data_17629 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17629 _Entry.PDB_ID 2LCS 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 17629 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 2 125.410 125.410 124.251 1.159 17629 2 1 1 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.595 -0.477 17629 3 1 1 . 1 1 2 2 LYS C C 2 176.439 176.439 176.268 0.171 17629 4 1 1 . 1 1 2 2 LYS CA C 2 51.573 51.573 50.876 0.697 17629 5 1 1 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.639 -0.439 17629 6 1 1 . 1 1 2 2 LYS H H 2 8.079 8.079 7.874 0.205 17629 7 1 1 . 1 1 3 3 PHE N N 3 123.092 123.092 125.407 -2.315 17629 8 1 1 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.069 -0.648 17629 9 1 1 . 1 1 3 3 PHE C C 3 175.856 175.856 174.889 0.967 17629 10 1 1 . 1 1 3 3 PHE CA C 3 61.665 61.665 61.071 0.594 17629 11 1 1 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.298 -0.687 17629 12 1 1 . 1 1 3 3 PHE H H 3 8.251 8.251 8.833 -0.582 17629 13 1 1 . 1 1 4 4 ILE N N 4 125.149 125.149 118.487 6.662 17629 14 1 1 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.505 -0.290 17629 15 1 1 . 1 1 4 4 ILE C C 4 175.190 175.190 172.902 2.288 17629 16 1 1 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.543 1.236 17629 17 1 1 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.657 -2.126 17629 18 1 1 . 1 1 4 4 ILE H H 4 7.775 7.775 8.831 -1.056 17629 19 1 1 . 1 1 5 5 PRO N N 5 121.258 121.258 118.754 2.504 17629 20 1 1 . 1 1 5 5 PRO HA H 5 3.759 3.759 4.987 -1.228 17629 21 1 1 . 1 1 5 5 PRO C C 5 174.455 174.455 173.539 0.916 17629 22 1 1 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.474 3.866 17629 23 1 1 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.770 -4.901 17629 24 1 1 . 1 1 5 5 PRO H H 5 8.238 8.238 8.427 -0.189 17629 25 1 1 . 1 1 6 6 SER N N 6 118.930 118.930 126.843 -7.913 17629 26 1 1 . 1 1 6 6 SER HA H 6 4.439 4.439 4.769 -0.331 17629 27 1 1 . 1 1 6 6 SER C C 6 174.756 174.756 176.163 -1.407 17629 28 1 1 . 1 1 6 6 SER CA C 6 55.269 55.269 54.627 0.642 17629 29 1 1 . 1 1 6 6 SER CB C 6 31.970 31.970 28.305 3.665 17629 30 1 1 . 1 1 6 6 SER H H 6 9.042 9.042 8.657 0.385 17629 31 1 1 . 1 1 7 7 ARG N N 7 124.908 124.908 125.186 -0.278 17629 32 1 1 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.846 1.152 17629 33 1 1 . 1 1 7 7 ARG C C 7 175.313 175.313 175.626 -0.313 17629 34 1 1 . 1 1 7 7 ARG CA C 7 56.469 56.469 58.309 -1.840 17629 35 1 1 . 1 1 7 7 ARG CB C 7 32.540 32.540 29.914 2.626 17629 36 1 1 . 1 1 7 7 ARG H H 7 7.601 7.601 8.637 -1.036 17629 37 1 1 . 1 1 8 8 ALA N N 8 126.210 126.210 115.521 10.689 17629 38 1 1 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.287 0.703 17629 39 1 1 . 1 1 8 8 ALA C C 8 173.314 173.314 176.157 -2.843 17629 40 1 1 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.283 1.487 17629 41 1 1 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.481 1.734 17629 42 1 1 . 1 1 8 8 ALA H H 8 9.198 9.198 7.148 2.050 17629 43 1 1 . 1 1 9 9 ALA N N 9 117.480 117.480 119.634 -2.154 17629 44 1 1 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.530 -0.926 17629 45 1 1 . 1 1 9 9 ALA C C 9 174.805 174.805 175.074 -0.269 17629 46 1 1 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.553 -4.728 17629 47 1 1 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.370 2.787 17629 48 1 1 . 1 1 9 9 ALA H H 9 8.571 8.571 8.071 0.500 17629 49 1 1 . 1 1 10 10 PRO N N 10 127.491 127.491 126.220 1.271 17629 50 1 1 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.867 -0.398 17629 51 1 1 . 1 1 10 10 PRO C C 10 178.703 178.703 175.289 3.414 17629 52 1 1 . 1 1 10 10 PRO CA C 10 51.821 51.821 50.879 0.942 17629 53 1 1 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.604 -3.407 17629 54 1 1 . 1 1 10 10 PRO H H 10 9.208 9.208 8.701 0.507 17629 55 1 1 . 1 1 11 11 LYS N N 11 127.224 127.224 125.624 1.600 17629 56 1 1 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.463 0.084 17629 57 1 1 . 1 1 11 11 LYS C C 11 175.084 175.084 173.798 1.286 17629 58 1 1 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.674 5.671 17629 59 1 1 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.689 -0.252 17629 60 1 1 . 1 1 11 11 LYS H H 11 8.270 8.270 7.929 0.341 17629 61 1 1 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.588 -0.833 17629 62 1 1 . 1 1 12 12 PRO C C 12 173.503 173.503 174.485 -0.982 17629 63 1 1 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.736 3.051 17629 64 1 1 . 1 1 13 13 PRO N N 13 117.819 117.819 121.268 -3.449 17629 65 1 1 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.507 -0.189 17629 66 1 1 . 1 1 13 13 PRO C C 13 175.940 175.940 175.675 0.265 17629 67 1 1 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.341 1.228 17629 68 1 1 . 1 1 13 13 PRO CB C 13 41.489 41.489 42.164 -0.675 17629 69 1 1 . 1 1 13 13 PRO H H 13 8.361 8.361 8.646 -0.285 17629 70 1 1 . 1 1 14 14 SER N N 14 122.300 122.300 120.036 2.264 17629 71 1 1 . 1 1 14 14 SER HA H 14 4.361 4.361 4.653 -0.292 17629 72 1 1 . 1 1 14 14 SER C C 14 172.522 172.522 175.066 -2.544 17629 73 1 1 . 1 1 14 14 SER CA C 14 56.389 56.389 57.403 -1.014 17629 74 1 1 . 1 1 14 14 SER CB C 14 42.864 42.864 40.406 2.458 17629 75 1 1 . 1 1 14 14 SER H H 14 8.138 8.138 7.605 0.533 17629 76 1 1 . 1 1 15 15 GLU N N 15 128.991 128.991 119.090 9.901 17629 77 1 1 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.421 0.266 17629 78 1 1 . 1 1 15 15 GLU C C 15 172.941 172.941 175.535 -2.594 17629 79 1 1 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.109 -5.694 17629 80 1 1 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.315 0.875 17629 81 1 1 . 1 1 15 15 GLU H H 15 8.234 8.234 8.572 -0.338 17629 82 1 1 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.309 -0.008 17629 83 1 1 . 1 1 16 16 ALA C C 16 177.175 177.175 176.020 1.155 17629 84 1 1 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.604 -0.005 17629 85 1 1 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.362 2.123 17629 86 1 1 . 1 1 16 16 ALA H H 16 8.263 8.263 7.897 0.366 17629 87 1 1 . 1 1 17 17 GLU N N 17 119.882 119.882 120.186 -0.304 17629 88 1 1 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.674 -0.295 17629 89 1 1 . 1 1 17 17 GLU C C 17 175.065 175.065 175.310 -0.245 17629 90 1 1 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.508 0.073 17629 91 1 1 . 1 1 17 17 GLU CB C 17 31.777 31.777 31.948 -0.171 17629 92 1 1 . 1 1 17 17 GLU H H 17 8.952 8.952 7.546 1.406 17629 93 1 1 . 1 1 18 18 ASN N N 18 114.565 114.565 120.484 -5.919 17629 94 1 1 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.097 -0.227 17629 95 1 1 . 1 1 18 18 ASN C C 18 175.256 175.256 174.446 0.810 17629 96 1 1 . 1 1 18 18 ASN CA C 18 51.950 51.950 52.169 -0.219 17629 97 1 1 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.522 1.924 17629 98 1 1 . 1 1 18 18 ASN H H 18 7.177 7.177 9.051 -1.874 17629 99 1 1 . 1 1 19 19 ASP N N 19 120.622 120.622 120.977 -0.355 17629 100 1 1 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.940 -0.428 17629 101 1 1 . 1 1 19 19 ASP C C 19 175.848 175.848 175.573 0.275 17629 102 1 1 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.210 2.240 17629 103 1 1 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.773 -1.114 17629 104 1 1 . 1 1 19 19 ASP H H 19 8.753 8.753 8.433 0.320 17629 105 1 1 . 1 1 20 20 ASN N N 20 115.197 115.197 120.120 -4.923 17629 106 1 1 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.147 -0.382 17629 107 1 1 . 1 1 20 20 ASN C C 20 174.017 174.017 173.623 0.394 17629 108 1 1 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.016 -5.598 17629 109 1 1 . 1 1 20 20 ASN H H 20 8.124 8.124 9.294 -1.170 17629 110 1 1 . 1 1 21 21 GLU N N 21 119.591 119.591 122.785 -3.194 17629 111 1 1 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.678 0.171 17629 112 1 1 . 1 1 21 21 GLU C C 21 174.638 174.638 174.600 0.038 17629 113 1 1 . 1 1 21 21 GLU CA C 21 54.545 54.545 54.959 -0.414 17629 114 1 1 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.549 0.160 17629 115 1 1 . 1 1 21 21 GLU H H 21 7.453 7.453 8.328 -0.875 17629 116 1 1 . 1 1 22 22 LEU N N 22 126.694 126.694 126.590 0.104 17629 117 1 1 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.912 0.443 17629 118 1 1 . 1 1 22 22 LEU C C 22 173.258 173.258 178.045 -4.787 17629 119 1 1 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.419 -2.971 17629 120 1 1 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.592 2.758 17629 121 1 1 . 1 1 22 22 LEU H H 22 8.765 8.765 8.845 -0.080 17629 122 1 1 . 1 1 23 23 ARG N N 23 123.640 123.640 127.836 -4.196 17629 123 1 1 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.847 0.329 17629 124 1 1 . 1 1 23 23 ARG C C 23 176.038 176.038 175.601 0.437 17629 125 1 1 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.741 1.378 17629 126 1 1 . 1 1 23 23 ARG H H 23 8.023 8.023 8.963 -0.940 17629 127 1 1 . 1 1 24 24 LEU N N 24 122.047 122.047 122.375 -0.328 17629 128 1 1 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.497 0.429 17629 129 1 1 . 1 1 24 24 LEU C C 24 176.320 176.320 176.015 0.305 17629 130 1 1 . 1 1 24 24 LEU CA C 24 53.589 53.589 54.780 -1.191 17629 131 1 1 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.182 2.659 17629 132 1 1 . 1 1 24 24 LEU H H 24 8.686 8.686 8.202 0.484 17629 133 1 1 . 1 1 25 25 ALA N N 25 127.826 127.826 123.244 4.582 17629 134 1 1 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.654 0.396 17629 135 1 1 . 1 1 25 25 ALA C C 25 176.497 176.497 176.744 -0.247 17629 136 1 1 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.530 -0.794 17629 137 1 1 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.761 1.006 17629 138 1 1 . 1 1 25 25 ALA H H 25 8.747 8.747 8.238 0.509 17629 139 1 1 . 1 1 26 26 GLU N N 26 121.396 121.396 119.099 2.297 17629 140 1 1 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.881 -1.690 17629 141 1 1 . 1 1 26 26 GLU C C 26 177.095 177.095 174.115 2.980 17629 142 1 1 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.800 4.655 17629 143 1 1 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.137 -3.697 17629 144 1 1 . 1 1 26 26 GLU H H 26 8.756 8.756 8.798 -0.042 17629 145 1 1 . 1 1 27 27 GLY N N 27 115.237 115.237 109.154 6.083 17629 146 1 1 . 1 1 27 27 GLY C C 27 174.571 174.571 174.541 0.030 17629 147 1 1 . 1 1 27 27 GLY CA C 27 44.776 44.776 43.014 1.762 17629 148 1 1 . 1 1 27 27 GLY H H 27 8.878 8.878 8.463 0.415 17629 149 1 1 . 1 1 28 28 ASP N N 28 122.805 122.805 125.847 -3.042 17629 150 1 1 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.656 -0.174 17629 151 1 1 . 1 1 28 28 ASP C C 28 174.781 174.781 177.010 -2.229 17629 152 1 1 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.954 2.539 17629 153 1 1 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.901 3.833 17629 154 1 1 . 1 1 28 28 ASP H H 28 8.655 8.655 9.014 -0.359 17629 155 1 1 . 1 1 29 29 ILE N N 29 120.912 120.912 129.118 -8.206 17629 156 1 1 . 1 1 29 29 ILE HA H 29 4.909 4.909 3.972 0.937 17629 157 1 1 . 1 1 29 29 ILE C C 29 176.392 176.392 175.336 1.056 17629 158 1 1 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.294 -6.359 17629 159 1 1 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.069 -1.459 17629 160 1 1 . 1 1 29 29 ILE H H 29 8.484 8.484 8.676 -0.192 17629 161 1 1 . 1 1 30 30 VAL N N 30 118.766 118.766 113.163 5.603 17629 162 1 1 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.339 0.505 17629 163 1 1 . 1 1 30 30 VAL C C 30 173.455 173.455 173.053 0.402 17629 164 1 1 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.727 -2.592 17629 165 1 1 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.577 2.893 17629 166 1 1 . 1 1 30 30 VAL H H 30 8.840 8.840 7.479 1.361 17629 167 1 1 . 1 1 31 31 PHE N N 31 118.993 118.993 122.793 -3.800 17629 168 1 1 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.579 0.387 17629 169 1 1 . 1 1 31 31 PHE C C 31 175.600 175.600 174.832 0.768 17629 170 1 1 . 1 1 31 31 PHE CA C 31 56.697 56.697 57.818 -1.121 17629 171 1 1 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.881 1.289 17629 172 1 1 . 1 1 31 31 PHE H H 31 8.961 8.961 8.686 0.275 17629 173 1 1 . 1 1 32 32 ILE N N 32 124.714 124.714 126.290 -1.576 17629 174 1 1 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.481 -0.111 17629 175 1 1 . 1 1 32 32 ILE C C 32 175.776 175.776 175.717 0.059 17629 176 1 1 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.446 -1.897 17629 177 1 1 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.680 -5.645 17629 178 1 1 . 1 1 32 32 ILE H H 32 9.043 9.043 8.248 0.795 17629 179 1 1 . 1 1 33 33 SER N N 33 124.251 124.251 115.173 9.078 17629 180 1 1 . 1 1 33 33 SER HA H 33 4.630 4.630 4.170 0.460 17629 181 1 1 . 1 1 33 33 SER C C 33 175.353 175.353 174.498 0.855 17629 182 1 1 . 1 1 33 33 SER CA C 33 59.396 59.396 58.483 0.913 17629 183 1 1 . 1 1 33 33 SER H H 33 9.128 9.128 8.061 1.067 17629 184 1 1 . 1 1 34 34 TYR N N 34 114.956 114.956 116.862 -1.906 17629 185 1 1 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.280 0.568 17629 186 1 1 . 1 1 34 34 TYR C C 34 172.582 172.582 175.889 -3.307 17629 187 1 1 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.152 -2.030 17629 188 1 1 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.672 3.588 17629 189 1 1 . 1 1 34 34 TYR H H 34 7.457 7.457 8.740 -1.283 17629 190 1 1 . 1 1 35 35 LYS N N 35 122.237 122.237 115.338 6.899 17629 191 1 1 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.659 0.940 17629 192 1 1 . 1 1 35 35 LYS C C 35 175.174 175.174 174.652 0.522 17629 193 1 1 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.241 -0.494 17629 194 1 1 . 1 1 35 35 LYS H H 35 8.697 8.697 8.552 0.145 17629 195 1 1 . 1 1 36 36 HIS N N 36 127.413 127.413 117.281 10.132 17629 196 1 1 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.821 -0.169 17629 197 1 1 . 1 1 36 36 HIS C C 36 175.918 175.918 173.784 2.134 17629 198 1 1 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.644 3.691 17629 199 1 1 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.988 0.794 17629 200 1 1 . 1 1 36 36 HIS H H 36 8.122 8.122 7.728 0.394 17629 201 1 1 . 1 1 37 37 GLY N N 37 105.500 105.500 109.031 -3.531 17629 202 1 1 . 1 1 37 37 GLY C C 37 174.073 174.073 174.086 -0.013 17629 203 1 1 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.010 -0.226 17629 204 1 1 . 1 1 37 37 GLY H H 37 8.000 8.000 9.239 -1.239 17629 205 1 1 . 1 1 38 38 GLN N N 38 114.228 114.228 123.974 -9.746 17629 206 1 1 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.706 -0.615 17629 207 1 1 . 1 1 38 38 GLN C C 38 175.546 175.546 174.729 0.817 17629 208 1 1 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.745 1.193 17629 209 1 1 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.137 0.423 17629 210 1 1 . 1 1 38 38 GLN H H 38 9.025 9.025 7.900 1.125 17629 211 1 1 . 1 1 39 39 GLY N N 39 104.000 104.000 116.126 -12.126 17629 212 1 1 . 1 1 39 39 GLY C C 39 174.892 174.892 172.756 2.136 17629 213 1 1 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.734 2.876 17629 214 1 1 . 1 1 39 39 GLY H H 39 8.664 8.664 8.937 -0.273 17629 215 1 1 . 1 1 40 40 TRP N N 40 120.355 120.355 120.477 -0.122 17629 216 1 1 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.461 -0.210 17629 217 1 1 . 1 1 40 40 TRP C C 40 175.702 175.702 176.036 -0.334 17629 218 1 1 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.714 1.885 17629 219 1 1 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.065 0.293 17629 220 1 1 . 1 1 40 40 TRP H H 40 7.938 7.938 8.274 -0.336 17629 221 1 1 . 1 1 41 41 LEU N N 41 121.736 121.736 121.610 0.126 17629 222 1 1 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.173 0.794 17629 223 1 1 . 1 1 41 41 LEU C C 41 174.893 174.893 177.705 -2.812 17629 224 1 1 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.504 -1.565 17629 225 1 1 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.441 1.215 17629 226 1 1 . 1 1 41 41 LEU H H 41 9.626 9.626 8.652 0.974 17629 227 1 1 . 1 1 42 42 VAL N N 42 120.248 120.248 118.253 1.995 17629 228 1 1 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.840 0.268 17629 229 1 1 . 1 1 42 42 VAL C C 42 173.905 173.905 177.546 -3.641 17629 230 1 1 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.670 -1.371 17629 231 1 1 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.799 -0.037 17629 232 1 1 . 1 1 42 42 VAL H H 42 8.593 8.593 8.585 0.008 17629 233 1 1 . 1 1 43 43 ALA N N 43 130.238 130.238 120.636 9.602 17629 234 1 1 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.125 1.363 17629 235 1 1 . 1 1 43 43 ALA C C 43 174.736 174.736 178.343 -3.607 17629 236 1 1 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.393 -3.695 17629 237 1 1 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.325 5.801 17629 238 1 1 . 1 1 43 43 ALA H H 43 9.080 9.080 7.967 1.113 17629 239 1 1 . 1 1 44 44 GLU N N 44 118.066 118.066 119.130 -1.064 17629 240 1 1 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.106 1.264 17629 241 1 1 . 1 1 44 44 GLU C C 44 176.343 176.343 176.359 -0.016 17629 242 1 1 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.109 -3.195 17629 243 1 1 . 1 1 44 44 GLU H H 44 9.055 9.055 7.774 1.281 17629 244 1 1 . 1 1 45 45 ASN N N 45 118.721 118.721 117.476 1.245 17629 245 1 1 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.757 0.063 17629 246 1 1 . 1 1 45 45 ASN C C 45 175.581 175.581 174.928 0.653 17629 247 1 1 . 1 1 45 45 ASN CA C 45 52.001 52.001 52.855 -0.854 17629 248 1 1 . 1 1 45 45 ASN CB C 45 37.767 37.767 38.734 -0.967 17629 249 1 1 . 1 1 45 45 ASN H H 45 8.342 8.342 8.132 0.210 17629 250 1 1 . 1 1 46 46 GLU N N 46 120.491 120.491 122.321 -1.830 17629 251 1 1 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.553 -0.603 17629 252 1 1 . 1 1 46 46 GLU C C 46 177.658 177.658 174.874 2.784 17629 253 1 1 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.648 4.490 17629 254 1 1 . 1 1 46 46 GLU CB C 46 29.508 29.508 30.981 -1.473 17629 255 1 1 . 1 1 46 46 GLU H H 46 8.521 8.521 7.876 0.645 17629 256 1 1 . 1 1 47 47 SER N N 47 109.172 109.172 122.476 -13.304 17629 257 1 1 . 1 1 47 47 SER HA H 47 4.376 4.376 5.076 -0.700 17629 258 1 1 . 1 1 47 47 SER C C 47 175.760 175.760 173.717 2.043 17629 259 1 1 . 1 1 47 47 SER CA C 47 58.349 58.349 57.010 1.339 17629 260 1 1 . 1 1 47 47 SER CB C 47 63.906 63.906 66.687 -2.781 17629 261 1 1 . 1 1 47 47 SER H H 47 8.029 8.029 8.583 -0.554 17629 262 1 1 . 1 1 48 48 GLY N N 48 112.365 112.365 109.696 2.669 17629 263 1 1 . 1 1 48 48 GLY C C 48 174.289 174.289 171.853 2.436 17629 264 1 1 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.511 0.435 17629 265 1 1 . 1 1 48 48 GLY H H 48 8.002 8.002 8.828 -0.826 17629 266 1 1 . 1 1 49 49 SER N N 49 116.280 116.280 115.328 0.952 17629 267 1 1 . 1 1 49 49 SER HA H 49 4.387 4.387 5.119 -0.732 17629 268 1 1 . 1 1 49 49 SER C C 49 174.474 174.474 174.505 -0.031 17629 269 1 1 . 1 1 49 49 SER CA C 49 58.778 58.778 57.589 1.189 17629 270 1 1 . 1 1 49 49 SER CB C 49 64.138 64.138 64.930 -0.792 17629 271 1 1 . 1 1 49 49 SER H H 49 8.529 8.529 8.049 0.480 17629 272 1 1 . 1 1 50 50 LYS N N 50 122.336 122.336 115.834 6.502 17629 273 1 1 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.246 -0.569 17629 274 1 1 . 1 1 50 50 LYS C C 50 173.788 173.788 173.970 -0.182 17629 275 1 1 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.111 3.809 17629 276 1 1 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.647 1.015 17629 277 1 1 . 1 1 50 50 LYS H H 50 7.879 7.879 9.405 -1.526 17629 278 1 1 . 1 1 51 51 THR HA H 51 5.465 5.465 4.063 1.402 17629 279 1 1 . 1 1 51 51 THR C C 51 173.478 173.478 174.156 -0.678 17629 280 1 1 . 1 1 51 51 THR CA C 51 59.703 59.703 61.467 -1.764 17629 281 1 1 . 1 1 51 51 THR CB C 51 71.505 71.505 69.045 2.460 17629 282 1 1 . 1 1 52 52 GLY N N 52 110.609 110.609 111.535 -0.926 17629 283 1 1 . 1 1 52 52 GLY C C 52 170.386 170.386 175.717 -5.331 17629 284 1 1 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.939 -1.562 17629 285 1 1 . 1 1 52 52 GLY H H 52 9.039 9.039 8.542 0.497 17629 286 1 1 . 1 1 53 53 LEU N N 53 120.239 120.239 118.883 1.356 17629 287 1 1 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.321 0.878 17629 288 1 1 . 1 1 53 53 LEU C C 53 177.929 177.929 176.704 1.225 17629 289 1 1 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.271 -1.653 17629 290 1 1 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.274 2.770 17629 291 1 1 . 1 1 53 53 LEU H H 53 9.169 9.169 8.388 0.781 17629 292 1 1 . 1 1 54 54 VAL N N 54 111.925 111.925 116.513 -4.588 17629 293 1 1 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.464 0.376 17629 294 1 1 . 1 1 54 54 VAL C C 54 172.319 172.319 174.675 -2.356 17629 295 1 1 . 1 1 54 54 VAL CA C 54 57.190 57.190 61.071 -3.881 17629 296 1 1 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.550 0.652 17629 297 1 1 . 1 1 54 54 VAL H H 54 9.191 9.191 7.658 1.533 17629 298 1 1 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.346 -1.233 17629 299 1 1 . 1 1 55 55 PRO C C 55 178.107 178.107 176.218 1.889 17629 300 1 1 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.199 0.837 17629 301 1 1 . 1 1 55 55 PRO CB C 55 31.430 31.430 34.965 -3.535 17629 302 1 1 . 1 1 56 56 GLU N N 56 126.923 126.923 120.162 6.761 17629 303 1 1 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.666 -0.910 17629 304 1 1 . 1 1 56 56 GLU C C 56 177.586 177.586 176.291 1.295 17629 305 1 1 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.815 4.237 17629 306 1 1 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.319 -1.105 17629 307 1 1 . 1 1 56 56 GLU H H 56 8.503 8.503 8.666 -0.163 17629 308 1 1 . 1 1 57 57 GLU N N 57 113.138 113.138 128.440 -15.302 17629 309 1 1 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.299 0.036 17629 310 1 1 . 1 1 57 57 GLU C C 57 175.950 175.950 177.170 -1.220 17629 311 1 1 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.045 -0.411 17629 312 1 1 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.447 0.368 17629 313 1 1 . 1 1 57 57 GLU H H 57 8.743 8.743 8.956 -0.213 17629 314 1 1 . 1 1 58 58 PHE N N 58 116.994 116.994 124.848 -7.854 17629 315 1 1 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.598 0.189 17629 316 1 1 . 1 1 58 58 PHE C C 58 174.773 174.773 174.867 -0.094 17629 317 1 1 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.015 -1.344 17629 318 1 1 . 1 1 58 58 PHE H H 58 8.002 8.002 7.916 0.086 17629 319 1 1 . 1 1 59 59 VAL N N 59 110.037 110.037 122.681 -12.644 17629 320 1 1 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.482 0.928 17629 321 1 1 . 1 1 59 59 VAL C C 59 173.781 173.781 174.267 -0.486 17629 322 1 1 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.623 -1.701 17629 323 1 1 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.559 0.613 17629 324 1 1 . 1 1 59 59 VAL H H 59 7.328 7.328 8.255 -0.927 17629 325 1 1 . 1 1 60 60 SER HA H 60 4.711 4.711 4.358 0.353 17629 326 1 1 . 1 1 60 60 SER C C 60 174.901 174.901 174.377 0.524 17629 327 1 1 . 1 1 60 60 SER CA C 60 55.416 55.416 59.765 -4.349 17629 328 1 1 . 1 1 60 60 SER CB C 60 64.846 64.846 63.816 1.030 17629 329 1 1 . 1 1 61 61 TYR N N 61 126.709 126.709 117.048 9.661 17629 330 1 1 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.612 -0.038 17629 331 1 1 . 1 1 61 61 TYR C C 61 176.232 176.232 174.393 1.839 17629 332 1 1 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.023 1.217 17629 333 1 1 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.927 -0.941 17629 334 1 1 . 1 1 61 61 TYR H H 61 8.560 8.560 8.191 0.369 17629 335 1 1 . 1 1 62 62 ILE N N 62 122.059 122.059 120.127 1.932 17629 336 1 1 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.662 -0.419 17629 337 1 1 . 1 1 62 62 ILE C C 62 175.812 175.812 174.963 0.849 17629 338 1 1 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.738 -0.108 17629 339 1 1 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.852 -0.692 17629 340 1 1 . 1 1 62 62 ILE H H 62 8.303 8.303 7.602 0.701 17629 341 1 2 . 1 1 2 2 LYS N N 2 125.410 125.410 124.297 1.113 17629 342 1 2 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.553 -0.435 17629 343 1 2 . 1 1 2 2 LYS C C 2 176.439 176.439 176.270 0.169 17629 344 1 2 . 1 1 2 2 LYS CA C 2 51.573 51.573 50.975 0.598 17629 345 1 2 . 1 1 2 2 LYS CB C 2 20.200 20.200 21.030 -0.830 17629 346 1 2 . 1 1 2 2 LYS H H 2 8.079 8.079 7.897 0.182 17629 347 1 2 . 1 1 3 3 PHE N N 3 123.092 123.092 123.973 -0.881 17629 348 1 2 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.295 -0.874 17629 349 1 2 . 1 1 3 3 PHE C C 3 175.856 175.856 174.725 1.131 17629 350 1 2 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.184 1.482 17629 351 1 2 . 1 1 3 3 PHE CB C 3 38.611 38.611 40.145 -1.534 17629 352 1 2 . 1 1 3 3 PHE H H 3 8.251 8.251 8.681 -0.430 17629 353 1 2 . 1 1 4 4 ILE N N 4 125.149 125.149 118.031 7.118 17629 354 1 2 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.644 -0.429 17629 355 1 2 . 1 1 4 4 ILE C C 4 175.190 175.190 172.820 2.370 17629 356 1 2 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.467 1.312 17629 357 1 2 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.600 -2.068 17629 358 1 2 . 1 1 4 4 ILE H H 4 7.775 7.775 8.905 -1.130 17629 359 1 2 . 1 1 5 5 PRO N N 5 121.258 121.258 118.894 2.364 17629 360 1 2 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.083 -1.324 17629 361 1 2 . 1 1 5 5 PRO C C 5 174.455 174.455 173.309 1.146 17629 362 1 2 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.731 3.609 17629 363 1 2 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.302 -4.432 17629 364 1 2 . 1 1 5 5 PRO H H 5 8.238 8.238 8.679 -0.441 17629 365 1 2 . 1 1 6 6 SER N N 6 118.930 118.930 126.310 -7.380 17629 366 1 2 . 1 1 6 6 SER HA H 6 4.439 4.439 4.732 -0.293 17629 367 1 2 . 1 1 6 6 SER C C 6 174.756 174.756 175.848 -1.092 17629 368 1 2 . 1 1 6 6 SER CA C 6 55.269 55.269 54.861 0.408 17629 369 1 2 . 1 1 6 6 SER CB C 6 31.970 31.970 28.823 3.147 17629 370 1 2 . 1 1 6 6 SER H H 6 9.042 9.042 8.733 0.309 17629 371 1 2 . 1 1 7 7 ARG N N 7 124.908 124.908 124.049 0.859 17629 372 1 2 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.975 1.023 17629 373 1 2 . 1 1 7 7 ARG C C 7 175.313 175.313 175.835 -0.522 17629 374 1 2 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.794 -1.325 17629 375 1 2 . 1 1 7 7 ARG CB C 7 32.540 32.540 29.982 2.558 17629 376 1 2 . 1 1 7 7 ARG H H 7 7.601 7.601 8.345 -0.744 17629 377 1 2 . 1 1 8 8 ALA N N 8 126.210 126.210 117.900 8.310 17629 378 1 2 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.240 0.750 17629 379 1 2 . 1 1 8 8 ALA C C 8 173.314 173.314 175.687 -2.373 17629 380 1 2 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.530 1.240 17629 381 1 2 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.122 2.093 17629 382 1 2 . 1 1 8 8 ALA H H 8 9.198 9.198 7.073 2.125 17629 383 1 2 . 1 1 9 9 ALA N N 9 117.480 117.480 120.146 -2.666 17629 384 1 2 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.359 -0.755 17629 385 1 2 . 1 1 9 9 ALA C C 9 174.805 174.805 175.034 -0.229 17629 386 1 2 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.870 -5.045 17629 387 1 2 . 1 1 9 9 ALA CB C 9 35.157 35.157 31.904 3.252 17629 388 1 2 . 1 1 9 9 ALA H H 9 8.571 8.571 8.111 0.460 17629 389 1 2 . 1 1 10 10 PRO N N 10 127.491 127.491 126.151 1.340 17629 390 1 2 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.920 -0.451 17629 391 1 2 . 1 1 10 10 PRO C C 10 178.703 178.703 175.338 3.365 17629 392 1 2 . 1 1 10 10 PRO CA C 10 51.821 51.821 50.684 1.137 17629 393 1 2 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.625 -3.428 17629 394 1 2 . 1 1 10 10 PRO H H 10 9.208 9.208 8.534 0.674 17629 395 1 2 . 1 1 11 11 LYS N N 11 127.224 127.224 125.519 1.705 17629 396 1 2 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.436 0.111 17629 397 1 2 . 1 1 11 11 LYS C C 11 175.084 175.084 173.803 1.281 17629 398 1 2 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.598 5.747 17629 399 1 2 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.756 -0.319 17629 400 1 2 . 1 1 11 11 LYS H H 11 8.270 8.270 7.966 0.304 17629 401 1 2 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.674 -0.919 17629 402 1 2 . 1 1 12 12 PRO C C 12 173.503 173.503 174.424 -0.921 17629 403 1 2 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.762 3.025 17629 404 1 2 . 1 1 13 13 PRO N N 13 117.819 117.819 120.210 -2.391 17629 405 1 2 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.537 -0.219 17629 406 1 2 . 1 1 13 13 PRO C C 13 175.940 175.940 175.588 0.352 17629 407 1 2 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.296 1.273 17629 408 1 2 . 1 1 13 13 PRO CB C 13 41.489 41.489 42.578 -1.089 17629 409 1 2 . 1 1 13 13 PRO H H 13 8.361 8.361 9.177 -0.816 17629 410 1 2 . 1 1 14 14 SER N N 14 122.300 122.300 120.003 2.297 17629 411 1 2 . 1 1 14 14 SER HA H 14 4.361 4.361 4.670 -0.309 17629 412 1 2 . 1 1 14 14 SER C C 14 172.522 172.522 175.093 -2.571 17629 413 1 2 . 1 1 14 14 SER CA C 14 56.389 56.389 57.303 -0.914 17629 414 1 2 . 1 1 14 14 SER CB C 14 42.864 42.864 40.653 2.212 17629 415 1 2 . 1 1 14 14 SER H H 14 8.138 8.138 7.647 0.491 17629 416 1 2 . 1 1 15 15 GLU N N 15 128.991 128.991 119.261 9.730 17629 417 1 2 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.417 0.270 17629 418 1 2 . 1 1 15 15 GLU C C 15 172.941 172.941 175.543 -2.602 17629 419 1 2 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.152 -5.737 17629 420 1 2 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.197 0.993 17629 421 1 2 . 1 1 15 15 GLU H H 15 8.234 8.234 8.572 -0.338 17629 422 1 2 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.313 -0.012 17629 423 1 2 . 1 1 16 16 ALA C C 16 177.175 177.175 176.097 1.078 17629 424 1 2 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.459 0.140 17629 425 1 2 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.272 2.213 17629 426 1 2 . 1 1 16 16 ALA H H 16 8.263 8.263 7.881 0.382 17629 427 1 2 . 1 1 17 17 GLU N N 17 119.882 119.882 119.672 0.210 17629 428 1 2 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.704 -0.325 17629 429 1 2 . 1 1 17 17 GLU C C 17 175.065 175.065 175.219 -0.154 17629 430 1 2 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.561 0.020 17629 431 1 2 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.002 -0.224 17629 432 1 2 . 1 1 17 17 GLU H H 17 8.952 8.952 7.537 1.415 17629 433 1 2 . 1 1 18 18 ASN N N 18 114.565 114.565 119.696 -5.131 17629 434 1 2 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.102 -0.232 17629 435 1 2 . 1 1 18 18 ASN C C 18 175.256 175.256 174.095 1.161 17629 436 1 2 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.063 0.887 17629 437 1 2 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.427 2.019 17629 438 1 2 . 1 1 18 18 ASN H H 18 7.177 7.177 8.921 -1.744 17629 439 1 2 . 1 1 19 19 ASP N N 19 120.622 120.622 121.796 -1.174 17629 440 1 2 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.910 -0.398 17629 441 1 2 . 1 1 19 19 ASP C C 19 175.848 175.848 175.453 0.395 17629 442 1 2 . 1 1 19 19 ASP CA C 19 56.450 56.450 53.782 2.668 17629 443 1 2 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.882 -1.223 17629 444 1 2 . 1 1 19 19 ASP H H 19 8.753 8.753 8.413 0.340 17629 445 1 2 . 1 1 20 20 ASN N N 20 115.197 115.197 117.284 -2.087 17629 446 1 2 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.128 -0.363 17629 447 1 2 . 1 1 20 20 ASN C C 20 174.017 174.017 173.695 0.322 17629 448 1 2 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.358 -5.940 17629 449 1 2 . 1 1 20 20 ASN H H 20 8.124 8.124 8.772 -0.648 17629 450 1 2 . 1 1 21 21 GLU N N 21 119.591 119.591 124.095 -4.504 17629 451 1 2 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.776 0.073 17629 452 1 2 . 1 1 21 21 GLU C C 21 174.638 174.638 174.677 -0.039 17629 453 1 2 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.315 -0.770 17629 454 1 2 . 1 1 21 21 GLU CB C 21 31.708 31.708 32.080 -0.372 17629 455 1 2 . 1 1 21 21 GLU H H 21 7.453 7.453 8.767 -1.314 17629 456 1 2 . 1 1 22 22 LEU N N 22 126.694 126.694 126.469 0.225 17629 457 1 2 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.922 0.433 17629 458 1 2 . 1 1 22 22 LEU C C 22 173.258 173.258 178.086 -4.828 17629 459 1 2 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.483 -3.034 17629 460 1 2 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.600 2.750 17629 461 1 2 . 1 1 22 22 LEU H H 22 8.765 8.765 8.791 -0.026 17629 462 1 2 . 1 1 23 23 ARG N N 23 123.640 123.640 127.959 -4.319 17629 463 1 2 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.840 0.336 17629 464 1 2 . 1 1 23 23 ARG C C 23 176.038 176.038 175.722 0.316 17629 465 1 2 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.749 1.370 17629 466 1 2 . 1 1 23 23 ARG H H 23 8.023 8.023 8.993 -0.970 17629 467 1 2 . 1 1 24 24 LEU N N 24 122.047 122.047 122.598 -0.551 17629 468 1 2 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.421 0.505 17629 469 1 2 . 1 1 24 24 LEU C C 24 176.320 176.320 175.981 0.339 17629 470 1 2 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.587 -1.998 17629 471 1 2 . 1 1 24 24 LEU CB C 24 45.841 45.841 42.844 2.997 17629 472 1 2 . 1 1 24 24 LEU H H 24 8.686 8.686 8.030 0.656 17629 473 1 2 . 1 1 25 25 ALA N N 25 127.826 127.826 123.361 4.465 17629 474 1 2 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.709 0.341 17629 475 1 2 . 1 1 25 25 ALA C C 25 176.497 176.497 176.729 -0.232 17629 476 1 2 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.603 -0.867 17629 477 1 2 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.443 1.324 17629 478 1 2 . 1 1 25 25 ALA H H 25 8.747 8.747 8.431 0.316 17629 479 1 2 . 1 1 26 26 GLU N N 26 121.396 121.396 117.571 3.825 17629 480 1 2 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.906 -1.715 17629 481 1 2 . 1 1 26 26 GLU C C 26 177.095 177.095 174.299 2.796 17629 482 1 2 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.504 4.951 17629 483 1 2 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.566 -4.126 17629 484 1 2 . 1 1 26 26 GLU H H 26 8.756 8.756 8.790 -0.034 17629 485 1 2 . 1 1 27 27 GLY N N 27 115.237 115.237 108.969 6.268 17629 486 1 2 . 1 1 27 27 GLY C C 27 174.571 174.571 174.807 -0.236 17629 487 1 2 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.812 1.964 17629 488 1 2 . 1 1 27 27 GLY H H 27 8.878 8.878 8.487 0.391 17629 489 1 2 . 1 1 28 28 ASP N N 28 122.805 122.805 125.504 -2.699 17629 490 1 2 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.666 -0.184 17629 491 1 2 . 1 1 28 28 ASP C C 28 174.781 174.781 176.822 -2.041 17629 492 1 2 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.812 2.680 17629 493 1 2 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.739 3.995 17629 494 1 2 . 1 1 28 28 ASP H H 28 8.655 8.655 8.831 -0.176 17629 495 1 2 . 1 1 29 29 ILE N N 29 120.912 120.912 128.229 -7.317 17629 496 1 2 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.170 0.739 17629 497 1 2 . 1 1 29 29 ILE C C 29 176.392 176.392 175.473 0.919 17629 498 1 2 . 1 1 29 29 ILE CA C 29 58.935 58.935 64.783 -5.848 17629 499 1 2 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.271 -1.661 17629 500 1 2 . 1 1 29 29 ILE H H 29 8.484 8.484 8.550 -0.066 17629 501 1 2 . 1 1 30 30 VAL N N 30 118.766 118.766 113.772 4.994 17629 502 1 2 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.354 0.490 17629 503 1 2 . 1 1 30 30 VAL C C 30 173.455 173.455 173.345 0.110 17629 504 1 2 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.766 -2.631 17629 505 1 2 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.984 2.486 17629 506 1 2 . 1 1 30 30 VAL H H 30 8.840 8.840 7.436 1.404 17629 507 1 2 . 1 1 31 31 PHE N N 31 118.993 118.993 123.403 -4.410 17629 508 1 2 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.508 0.458 17629 509 1 2 . 1 1 31 31 PHE C C 31 175.600 175.600 174.262 1.338 17629 510 1 2 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.163 -1.466 17629 511 1 2 . 1 1 31 31 PHE CB C 31 41.170 41.170 40.045 1.125 17629 512 1 2 . 1 1 31 31 PHE H H 31 8.961 8.961 8.903 0.058 17629 513 1 2 . 1 1 32 32 ILE N N 32 124.714 124.714 125.992 -1.278 17629 514 1 2 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.514 -0.144 17629 515 1 2 . 1 1 32 32 ILE C C 32 175.776 175.776 176.636 -0.860 17629 516 1 2 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.605 -2.056 17629 517 1 2 . 1 1 32 32 ILE CB C 32 36.035 36.035 42.267 -6.232 17629 518 1 2 . 1 1 32 32 ILE H H 32 9.043 9.043 8.220 0.823 17629 519 1 2 . 1 1 33 33 SER N N 33 124.251 124.251 115.275 8.976 17629 520 1 2 . 1 1 33 33 SER HA H 33 4.630 4.630 4.142 0.488 17629 521 1 2 . 1 1 33 33 SER C C 33 175.353 175.353 174.486 0.867 17629 522 1 2 . 1 1 33 33 SER CA C 33 59.396 59.396 58.538 0.858 17629 523 1 2 . 1 1 33 33 SER H H 33 9.128 9.128 8.049 1.079 17629 524 1 2 . 1 1 34 34 TYR N N 34 114.956 114.956 116.814 -1.858 17629 525 1 2 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.281 0.567 17629 526 1 2 . 1 1 34 34 TYR C C 34 172.582 172.582 175.915 -3.333 17629 527 1 2 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.105 -1.983 17629 528 1 2 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.524 3.736 17629 529 1 2 . 1 1 34 34 TYR H H 34 7.457 7.457 8.728 -1.271 17629 530 1 2 . 1 1 35 35 LYS N N 35 122.237 122.237 115.250 6.987 17629 531 1 2 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.645 0.954 17629 532 1 2 . 1 1 35 35 LYS C C 35 175.174 175.174 174.648 0.526 17629 533 1 2 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.236 -0.489 17629 534 1 2 . 1 1 35 35 LYS H H 35 8.697 8.697 8.544 0.153 17629 535 1 2 . 1 1 36 36 HIS N N 36 127.413 127.413 117.368 10.045 17629 536 1 2 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.808 -0.156 17629 537 1 2 . 1 1 36 36 HIS C C 36 175.918 175.918 173.819 2.099 17629 538 1 2 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.609 3.725 17629 539 1 2 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.922 0.860 17629 540 1 2 . 1 1 36 36 HIS H H 36 8.122 8.122 7.712 0.410 17629 541 1 2 . 1 1 37 37 GLY N N 37 105.500 105.500 109.455 -3.955 17629 542 1 2 . 1 1 37 37 GLY C C 37 174.073 174.073 174.170 -0.097 17629 543 1 2 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.003 -0.219 17629 544 1 2 . 1 1 37 37 GLY H H 37 8.000 8.000 9.233 -1.233 17629 545 1 2 . 1 1 38 38 GLN N N 38 114.228 114.228 124.305 -10.077 17629 546 1 2 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.697 -0.606 17629 547 1 2 . 1 1 38 38 GLN C C 38 175.546 175.546 174.797 0.749 17629 548 1 2 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.654 1.284 17629 549 1 2 . 1 1 38 38 GLN CB C 38 27.560 27.560 26.979 0.581 17629 550 1 2 . 1 1 38 38 GLN H H 38 9.025 9.025 7.865 1.160 17629 551 1 2 . 1 1 39 39 GLY N N 39 104.000 104.000 116.049 -12.049 17629 552 1 2 . 1 1 39 39 GLY C C 39 174.892 174.892 172.686 2.206 17629 553 1 2 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.844 2.766 17629 554 1 2 . 1 1 39 39 GLY H H 39 8.664 8.664 8.851 -0.187 17629 555 1 2 . 1 1 40 40 TRP N N 40 120.355 120.355 121.001 -0.646 17629 556 1 2 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.402 -0.151 17629 557 1 2 . 1 1 40 40 TRP C C 40 175.702 175.702 176.072 -0.370 17629 558 1 2 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.746 1.853 17629 559 1 2 . 1 1 40 40 TRP CB C 40 33.358 33.358 32.899 0.459 17629 560 1 2 . 1 1 40 40 TRP H H 40 7.938 7.938 8.255 -0.317 17629 561 1 2 . 1 1 41 41 LEU N N 41 121.736 121.736 122.114 -0.378 17629 562 1 2 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.164 0.803 17629 563 1 2 . 1 1 41 41 LEU C C 41 174.893 174.893 177.865 -2.972 17629 564 1 2 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.488 -1.549 17629 565 1 2 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.357 1.299 17629 566 1 2 . 1 1 41 41 LEU H H 41 9.626 9.626 8.386 1.240 17629 567 1 2 . 1 1 42 42 VAL N N 42 120.248 120.248 117.935 2.313 17629 568 1 2 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.820 0.288 17629 569 1 2 . 1 1 42 42 VAL C C 42 173.905 173.905 177.500 -3.595 17629 570 1 2 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.711 -1.412 17629 571 1 2 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.742 0.020 17629 572 1 2 . 1 1 42 42 VAL H H 42 8.593 8.593 8.542 0.051 17629 573 1 2 . 1 1 43 43 ALA N N 43 130.238 130.238 120.608 9.630 17629 574 1 2 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.100 1.389 17629 575 1 2 . 1 1 43 43 ALA C C 43 174.736 174.736 178.282 -3.546 17629 576 1 2 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.469 -3.771 17629 577 1 2 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.320 5.806 17629 578 1 2 . 1 1 43 43 ALA H H 43 9.080 9.080 8.094 0.986 17629 579 1 2 . 1 1 44 44 GLU N N 44 118.066 118.066 119.277 -1.211 17629 580 1 2 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.186 1.184 17629 581 1 2 . 1 1 44 44 GLU C C 44 176.343 176.343 175.905 0.438 17629 582 1 2 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.312 -3.398 17629 583 1 2 . 1 1 44 44 GLU H H 44 9.055 9.055 7.732 1.323 17629 584 1 2 . 1 1 45 45 ASN N N 45 118.721 118.721 117.466 1.255 17629 585 1 2 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.811 0.009 17629 586 1 2 . 1 1 45 45 ASN C C 45 175.581 175.581 174.369 1.212 17629 587 1 2 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.201 -1.200 17629 588 1 2 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.155 -1.388 17629 589 1 2 . 1 1 45 45 ASN H H 45 8.342 8.342 8.174 0.168 17629 590 1 2 . 1 1 46 46 GLU N N 46 120.491 120.491 121.587 -1.096 17629 591 1 2 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.608 -0.658 17629 592 1 2 . 1 1 46 46 GLU C C 46 177.658 177.658 174.600 3.058 17629 593 1 2 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.635 4.503 17629 594 1 2 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.808 -2.300 17629 595 1 2 . 1 1 46 46 GLU H H 46 8.521 8.521 7.800 0.721 17629 596 1 2 . 1 1 47 47 SER N N 47 109.172 109.172 120.686 -11.514 17629 597 1 2 . 1 1 47 47 SER HA H 47 4.376 4.376 5.022 -0.646 17629 598 1 2 . 1 1 47 47 SER C C 47 175.760 175.760 173.512 2.248 17629 599 1 2 . 1 1 47 47 SER CA C 47 58.349 58.349 57.324 1.025 17629 600 1 2 . 1 1 47 47 SER CB C 47 63.906 63.906 66.633 -2.727 17629 601 1 2 . 1 1 47 47 SER H H 47 8.029 8.029 8.630 -0.601 17629 602 1 2 . 1 1 48 48 GLY N N 48 112.365 112.365 111.378 0.987 17629 603 1 2 . 1 1 48 48 GLY C C 48 174.289 174.289 171.724 2.565 17629 604 1 2 . 1 1 48 48 GLY CA C 48 45.946 45.946 44.890 1.056 17629 605 1 2 . 1 1 48 48 GLY H H 48 8.002 8.002 8.858 -0.856 17629 606 1 2 . 1 1 49 49 SER N N 49 116.280 116.280 114.950 1.330 17629 607 1 2 . 1 1 49 49 SER HA H 49 4.387 4.387 4.999 -0.612 17629 608 1 2 . 1 1 49 49 SER C C 49 174.474 174.474 174.191 0.283 17629 609 1 2 . 1 1 49 49 SER CA C 49 58.778 58.778 57.737 1.040 17629 610 1 2 . 1 1 49 49 SER CB C 49 64.138 64.138 64.554 -0.416 17629 611 1 2 . 1 1 49 49 SER H H 49 8.529 8.529 8.310 0.219 17629 612 1 2 . 1 1 50 50 LYS N N 50 122.336 122.336 117.793 4.543 17629 613 1 2 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.159 -0.482 17629 614 1 2 . 1 1 50 50 LYS C C 50 173.788 173.788 174.119 -0.331 17629 615 1 2 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.398 3.522 17629 616 1 2 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.572 1.091 17629 617 1 2 . 1 1 50 50 LYS H H 50 7.879 7.879 9.217 -1.338 17629 618 1 2 . 1 1 51 51 THR HA H 51 5.465 5.465 4.005 1.460 17629 619 1 2 . 1 1 51 51 THR C C 51 173.478 173.478 174.168 -0.690 17629 620 1 2 . 1 1 51 51 THR CA C 51 59.703 59.703 61.514 -1.810 17629 621 1 2 . 1 1 51 51 THR CB C 51 71.505 71.505 69.057 2.448 17629 622 1 2 . 1 1 52 52 GLY N N 52 110.609 110.609 111.129 -0.520 17629 623 1 2 . 1 1 52 52 GLY C C 52 170.386 170.386 176.078 -5.692 17629 624 1 2 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.999 -1.622 17629 625 1 2 . 1 1 52 52 GLY H H 52 9.039 9.039 8.523 0.516 17629 626 1 2 . 1 1 53 53 LEU N N 53 120.239 120.239 118.924 1.315 17629 627 1 2 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.309 0.890 17629 628 1 2 . 1 1 53 53 LEU C C 53 177.929 177.929 176.765 1.164 17629 629 1 2 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.414 -1.796 17629 630 1 2 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.552 2.492 17629 631 1 2 . 1 1 53 53 LEU H H 53 9.169 9.169 8.440 0.729 17629 632 1 2 . 1 1 54 54 VAL N N 54 111.925 111.925 116.333 -4.408 17629 633 1 2 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.442 0.398 17629 634 1 2 . 1 1 54 54 VAL C C 54 172.319 172.319 174.515 -2.196 17629 635 1 2 . 1 1 54 54 VAL CA C 54 57.190 57.190 61.010 -3.820 17629 636 1 2 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.519 0.683 17629 637 1 2 . 1 1 54 54 VAL H H 54 9.191 9.191 7.624 1.567 17629 638 1 2 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.429 -1.316 17629 639 1 2 . 1 1 55 55 PRO C C 55 178.107 178.107 176.055 2.052 17629 640 1 2 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.033 1.002 17629 641 1 2 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.203 -3.773 17629 642 1 2 . 1 1 56 56 GLU N N 56 126.923 126.923 120.858 6.065 17629 643 1 2 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.637 -0.881 17629 644 1 2 . 1 1 56 56 GLU C C 56 177.586 177.586 176.092 1.494 17629 645 1 2 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.838 4.214 17629 646 1 2 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.663 -1.450 17629 647 1 2 . 1 1 56 56 GLU H H 56 8.503 8.503 8.680 -0.177 17629 648 1 2 . 1 1 57 57 GLU N N 57 113.138 113.138 127.597 -14.459 17629 649 1 2 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.290 0.045 17629 650 1 2 . 1 1 57 57 GLU C C 57 175.950 175.950 177.073 -1.123 17629 651 1 2 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.331 -0.697 17629 652 1 2 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.488 0.328 17629 653 1 2 . 1 1 57 57 GLU H H 57 8.743 8.743 8.976 -0.233 17629 654 1 2 . 1 1 58 58 PHE N N 58 116.994 116.994 124.049 -7.055 17629 655 1 2 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.696 0.091 17629 656 1 2 . 1 1 58 58 PHE C C 58 174.773 174.773 175.329 -0.556 17629 657 1 2 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.209 -1.538 17629 658 1 2 . 1 1 58 58 PHE H H 58 8.002 8.002 8.134 -0.132 17629 659 1 2 . 1 1 59 59 VAL N N 59 110.037 110.037 123.913 -13.876 17629 660 1 2 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.490 0.920 17629 661 1 2 . 1 1 59 59 VAL C C 59 173.781 173.781 174.218 -0.437 17629 662 1 2 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.858 -1.936 17629 663 1 2 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.387 0.785 17629 664 1 2 . 1 1 59 59 VAL H H 59 7.328 7.328 8.359 -1.031 17629 665 1 2 . 1 1 60 60 SER HA H 60 4.711 4.711 4.378 0.333 17629 666 1 2 . 1 1 60 60 SER C C 60 174.901 174.901 174.442 0.459 17629 667 1 2 . 1 1 60 60 SER CA C 60 55.416 55.416 59.904 -4.488 17629 668 1 2 . 1 1 60 60 SER CB C 60 64.846 64.846 63.769 1.077 17629 669 1 2 . 1 1 61 61 TYR N N 61 126.709 126.709 116.892 9.817 17629 670 1 2 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.693 -0.119 17629 671 1 2 . 1 1 61 61 TYR C C 61 176.232 176.232 174.425 1.807 17629 672 1 2 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.037 1.203 17629 673 1 2 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.749 -0.763 17629 674 1 2 . 1 1 61 61 TYR H H 61 8.560 8.560 8.366 0.194 17629 675 1 2 . 1 1 62 62 ILE N N 62 122.059 122.059 120.331 1.728 17629 676 1 2 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.601 -0.358 17629 677 1 2 . 1 1 62 62 ILE C C 62 175.812 175.812 175.454 0.358 17629 678 1 2 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.611 0.019 17629 679 1 2 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.416 -0.256 17629 680 1 2 . 1 1 62 62 ILE H H 62 8.303 8.303 7.570 0.733 17629 681 1 3 . 1 1 2 2 LYS N N 2 125.410 125.410 123.755 1.655 17629 682 1 3 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.537 -0.419 17629 683 1 3 . 1 1 2 2 LYS C C 2 176.439 176.439 176.120 0.319 17629 684 1 3 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.149 0.424 17629 685 1 3 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.722 -0.522 17629 686 1 3 . 1 1 2 2 LYS H H 2 8.079 8.079 7.743 0.336 17629 687 1 3 . 1 1 3 3 PHE N N 3 123.092 123.092 125.134 -2.042 17629 688 1 3 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.196 -0.775 17629 689 1 3 . 1 1 3 3 PHE C C 3 175.856 175.856 174.868 0.988 17629 690 1 3 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.803 0.862 17629 691 1 3 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.496 -0.885 17629 692 1 3 . 1 1 3 3 PHE H H 3 8.251 8.251 8.800 -0.549 17629 693 1 3 . 1 1 4 4 ILE N N 4 125.149 125.149 118.894 6.255 17629 694 1 3 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.685 -0.470 17629 695 1 3 . 1 1 4 4 ILE C C 4 175.190 175.190 172.822 2.368 17629 696 1 3 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.535 1.244 17629 697 1 3 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.656 -2.124 17629 698 1 3 . 1 1 4 4 ILE H H 4 7.775 7.775 8.812 -1.037 17629 699 1 3 . 1 1 5 5 PRO N N 5 121.258 121.258 119.004 2.254 17629 700 1 3 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.011 -1.252 17629 701 1 3 . 1 1 5 5 PRO C C 5 174.455 174.455 173.459 0.996 17629 702 1 3 . 1 1 5 5 PRO CA C 5 53.340 53.340 50.253 3.087 17629 703 1 3 . 1 1 5 5 PRO CB C 5 37.870 37.870 43.049 -5.179 17629 704 1 3 . 1 1 5 5 PRO H H 5 8.238 8.238 8.494 -0.256 17629 705 1 3 . 1 1 6 6 SER N N 6 118.930 118.930 126.043 -7.113 17629 706 1 3 . 1 1 6 6 SER HA H 6 4.439 4.439 4.843 -0.404 17629 707 1 3 . 1 1 6 6 SER C C 6 174.756 174.756 175.973 -1.217 17629 708 1 3 . 1 1 6 6 SER CA C 6 55.269 55.269 54.553 0.716 17629 709 1 3 . 1 1 6 6 SER CB C 6 31.970 31.970 28.430 3.540 17629 710 1 3 . 1 1 6 6 SER H H 6 9.042 9.042 8.700 0.342 17629 711 1 3 . 1 1 7 7 ARG N N 7 124.908 124.908 124.213 0.695 17629 712 1 3 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.890 1.108 17629 713 1 3 . 1 1 7 7 ARG C C 7 175.313 175.313 175.869 -0.556 17629 714 1 3 . 1 1 7 7 ARG CA C 7 56.469 56.469 58.188 -1.719 17629 715 1 3 . 1 1 7 7 ARG CB C 7 32.540 32.540 29.977 2.563 17629 716 1 3 . 1 1 7 7 ARG H H 7 7.601 7.601 8.346 -0.745 17629 717 1 3 . 1 1 8 8 ALA N N 8 126.210 126.210 117.505 8.705 17629 718 1 3 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.233 0.757 17629 719 1 3 . 1 1 8 8 ALA C C 8 173.314 173.314 175.640 -2.326 17629 720 1 3 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.628 1.142 17629 721 1 3 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.259 1.956 17629 722 1 3 . 1 1 8 8 ALA H H 8 9.198 9.198 7.104 2.094 17629 723 1 3 . 1 1 9 9 ALA N N 9 117.480 117.480 120.102 -2.622 17629 724 1 3 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.467 -0.863 17629 725 1 3 . 1 1 9 9 ALA C C 9 174.805 174.805 174.935 -0.130 17629 726 1 3 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.679 -4.854 17629 727 1 3 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.232 2.925 17629 728 1 3 . 1 1 9 9 ALA H H 9 8.571 8.571 8.133 0.438 17629 729 1 3 . 1 1 10 10 PRO N N 10 127.491 127.491 126.445 1.046 17629 730 1 3 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.942 -0.473 17629 731 1 3 . 1 1 10 10 PRO C C 10 178.703 178.703 175.336 3.367 17629 732 1 3 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.168 0.653 17629 733 1 3 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.562 -3.365 17629 734 1 3 . 1 1 10 10 PRO H H 10 9.208 9.208 8.748 0.460 17629 735 1 3 . 1 1 11 11 LYS N N 11 127.224 127.224 125.855 1.369 17629 736 1 3 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.487 0.060 17629 737 1 3 . 1 1 11 11 LYS C C 11 175.084 175.084 173.730 1.354 17629 738 1 3 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.733 5.612 17629 739 1 3 . 1 1 11 11 LYS CB C 11 43.437 43.437 44.205 -0.768 17629 740 1 3 . 1 1 11 11 LYS H H 11 8.270 8.270 7.807 0.463 17629 741 1 3 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.586 -0.831 17629 742 1 3 . 1 1 12 12 PRO C C 12 173.503 173.503 174.552 -1.049 17629 743 1 3 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.484 3.303 17629 744 1 3 . 1 1 13 13 PRO N N 13 117.819 117.819 122.231 -4.412 17629 745 1 3 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.397 -0.079 17629 746 1 3 . 1 1 13 13 PRO C C 13 175.940 175.940 175.966 -0.026 17629 747 1 3 . 1 1 13 13 PRO CA C 13 54.569 54.569 54.045 0.524 17629 748 1 3 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.765 -0.276 17629 749 1 3 . 1 1 13 13 PRO H H 13 8.361 8.361 9.071 -0.710 17629 750 1 3 . 1 1 14 14 SER N N 14 122.300 122.300 119.016 3.284 17629 751 1 3 . 1 1 14 14 SER HA H 14 4.361 4.361 4.631 -0.270 17629 752 1 3 . 1 1 14 14 SER C C 14 172.522 172.522 175.376 -2.854 17629 753 1 3 . 1 1 14 14 SER CA C 14 56.389 56.389 57.571 -1.182 17629 754 1 3 . 1 1 14 14 SER CB C 14 42.864 42.864 40.453 2.411 17629 755 1 3 . 1 1 14 14 SER H H 14 8.138 8.138 7.624 0.514 17629 756 1 3 . 1 1 15 15 GLU N N 15 128.991 128.991 117.321 11.670 17629 757 1 3 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.247 0.441 17629 758 1 3 . 1 1 15 15 GLU C C 15 172.941 172.941 175.813 -2.872 17629 759 1 3 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.686 -6.271 17629 760 1 3 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.571 0.619 17629 761 1 3 . 1 1 15 15 GLU H H 15 8.234 8.234 8.550 -0.316 17629 762 1 3 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.324 -0.023 17629 763 1 3 . 1 1 16 16 ALA C C 16 177.175 177.175 176.020 1.155 17629 764 1 3 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.226 0.373 17629 765 1 3 . 1 1 16 16 ALA CB C 16 34.485 34.485 31.852 2.633 17629 766 1 3 . 1 1 16 16 ALA H H 16 8.263 8.263 7.809 0.454 17629 767 1 3 . 1 1 17 17 GLU N N 17 119.882 119.882 119.564 0.318 17629 768 1 3 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.617 -0.238 17629 769 1 3 . 1 1 17 17 GLU C C 17 175.065 175.065 175.211 -0.146 17629 770 1 3 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.562 0.019 17629 771 1 3 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.221 -0.444 17629 772 1 3 . 1 1 17 17 GLU H H 17 8.952 8.952 7.466 1.486 17629 773 1 3 . 1 1 18 18 ASN N N 18 114.565 114.565 120.382 -5.817 17629 774 1 3 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.123 -0.253 17629 775 1 3 . 1 1 18 18 ASN C C 18 175.256 175.256 174.427 0.829 17629 776 1 3 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.426 0.524 17629 777 1 3 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.702 1.744 17629 778 1 3 . 1 1 18 18 ASN H H 18 7.177 7.177 9.029 -1.852 17629 779 1 3 . 1 1 19 19 ASP N N 19 120.622 120.622 121.475 -0.853 17629 780 1 3 . 1 1 19 19 ASP HA H 19 4.512 4.512 5.062 -0.550 17629 781 1 3 . 1 1 19 19 ASP C C 19 175.848 175.848 175.588 0.260 17629 782 1 3 . 1 1 19 19 ASP CA C 19 56.450 56.450 53.798 2.652 17629 783 1 3 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.921 -1.262 17629 784 1 3 . 1 1 19 19 ASP H H 19 8.753 8.753 8.375 0.378 17629 785 1 3 . 1 1 20 20 ASN N N 20 115.197 115.197 119.594 -4.397 17629 786 1 3 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.129 -0.364 17629 787 1 3 . 1 1 20 20 ASN C C 20 174.017 174.017 173.555 0.462 17629 788 1 3 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.175 -5.757 17629 789 1 3 . 1 1 20 20 ASN H H 20 8.124 8.124 9.354 -1.230 17629 790 1 3 . 1 1 21 21 GLU N N 21 119.591 119.591 122.904 -3.313 17629 791 1 3 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.671 0.178 17629 792 1 3 . 1 1 21 21 GLU C C 21 174.638 174.638 174.641 -0.003 17629 793 1 3 . 1 1 21 21 GLU CA C 21 54.545 54.545 54.990 -0.445 17629 794 1 3 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.577 0.131 17629 795 1 3 . 1 1 21 21 GLU H H 21 7.453 7.453 8.315 -0.862 17629 796 1 3 . 1 1 22 22 LEU N N 22 126.694 126.694 126.585 0.109 17629 797 1 3 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.936 0.419 17629 798 1 3 . 1 1 22 22 LEU C C 22 173.258 173.258 178.077 -4.819 17629 799 1 3 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.443 -2.995 17629 800 1 3 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.552 2.798 17629 801 1 3 . 1 1 22 22 LEU H H 22 8.765 8.765 8.789 -0.023 17629 802 1 3 . 1 1 23 23 ARG N N 23 123.640 123.640 127.932 -4.292 17629 803 1 3 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.841 0.335 17629 804 1 3 . 1 1 23 23 ARG C C 23 176.038 176.038 175.681 0.357 17629 805 1 3 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.733 1.386 17629 806 1 3 . 1 1 23 23 ARG H H 23 8.023 8.023 8.976 -0.953 17629 807 1 3 . 1 1 24 24 LEU N N 24 122.047 122.047 122.625 -0.578 17629 808 1 3 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.446 0.480 17629 809 1 3 . 1 1 24 24 LEU C C 24 176.320 176.320 176.082 0.238 17629 810 1 3 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.067 -1.478 17629 811 1 3 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.004 2.837 17629 812 1 3 . 1 1 24 24 LEU H H 24 8.686 8.686 8.134 0.552 17629 813 1 3 . 1 1 25 25 ALA N N 25 127.826 127.826 123.290 4.536 17629 814 1 3 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.702 0.348 17629 815 1 3 . 1 1 25 25 ALA C C 25 176.497 176.497 176.787 -0.290 17629 816 1 3 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.530 -0.794 17629 817 1 3 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.844 0.923 17629 818 1 3 . 1 1 25 25 ALA H H 25 8.747 8.747 8.202 0.545 17629 819 1 3 . 1 1 26 26 GLU N N 26 121.396 121.396 119.535 1.861 17629 820 1 3 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.885 -1.694 17629 821 1 3 . 1 1 26 26 GLU C C 26 177.095 177.095 174.100 2.995 17629 822 1 3 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.526 4.929 17629 823 1 3 . 1 1 26 26 GLU CB C 26 29.440 29.440 32.925 -3.485 17629 824 1 3 . 1 1 26 26 GLU H H 26 8.756 8.756 8.835 -0.079 17629 825 1 3 . 1 1 27 27 GLY N N 27 115.237 115.237 109.360 5.877 17629 826 1 3 . 1 1 27 27 GLY C C 27 174.571 174.571 174.672 -0.101 17629 827 1 3 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.827 1.949 17629 828 1 3 . 1 1 27 27 GLY H H 27 8.878 8.878 8.648 0.230 17629 829 1 3 . 1 1 28 28 ASP N N 28 122.805 122.805 125.589 -2.784 17629 830 1 3 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.669 -0.187 17629 831 1 3 . 1 1 28 28 ASP C C 28 174.781 174.781 176.972 -2.191 17629 832 1 3 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.774 2.719 17629 833 1 3 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.759 3.975 17629 834 1 3 . 1 1 28 28 ASP H H 28 8.655 8.655 8.948 -0.293 17629 835 1 3 . 1 1 29 29 ILE N N 29 120.912 120.912 129.213 -8.301 17629 836 1 3 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.023 0.886 17629 837 1 3 . 1 1 29 29 ILE C C 29 176.392 176.392 175.178 1.214 17629 838 1 3 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.139 -6.204 17629 839 1 3 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.059 -1.449 17629 840 1 3 . 1 1 29 29 ILE H H 29 8.484 8.484 8.635 -0.151 17629 841 1 3 . 1 1 30 30 VAL N N 30 118.766 118.766 114.549 4.217 17629 842 1 3 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.358 0.486 17629 843 1 3 . 1 1 30 30 VAL C C 30 173.455 173.455 173.444 0.011 17629 844 1 3 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.916 -2.781 17629 845 1 3 . 1 1 30 30 VAL CB C 30 35.470 35.470 33.227 2.243 17629 846 1 3 . 1 1 30 30 VAL H H 30 8.840 8.840 7.431 1.409 17629 847 1 3 . 1 1 31 31 PHE N N 31 118.993 118.993 124.371 -5.378 17629 848 1 3 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.573 0.393 17629 849 1 3 . 1 1 31 31 PHE C C 31 175.600 175.600 174.597 1.003 17629 850 1 3 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.097 -1.400 17629 851 1 3 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.907 1.262 17629 852 1 3 . 1 1 31 31 PHE H H 31 8.961 8.961 8.636 0.325 17629 853 1 3 . 1 1 32 32 ILE N N 32 124.714 124.714 126.297 -1.583 17629 854 1 3 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.481 -0.111 17629 855 1 3 . 1 1 32 32 ILE C C 32 175.776 175.776 175.657 0.119 17629 856 1 3 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.440 -1.891 17629 857 1 3 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.636 -5.601 17629 858 1 3 . 1 1 32 32 ILE H H 32 9.043 9.043 8.247 0.796 17629 859 1 3 . 1 1 33 33 SER N N 33 124.251 124.251 115.189 9.062 17629 860 1 3 . 1 1 33 33 SER HA H 33 4.630 4.630 4.136 0.494 17629 861 1 3 . 1 1 33 33 SER C C 33 175.353 175.353 174.426 0.927 17629 862 1 3 . 1 1 33 33 SER CA C 33 59.396 59.396 58.392 1.004 17629 863 1 3 . 1 1 33 33 SER H H 33 9.128 9.128 8.096 1.032 17629 864 1 3 . 1 1 34 34 TYR N N 34 114.956 114.956 115.205 -0.249 17629 865 1 3 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.210 0.638 17629 866 1 3 . 1 1 34 34 TYR C C 34 172.582 172.582 175.782 -3.200 17629 867 1 3 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.397 -2.275 17629 868 1 3 . 1 1 34 34 TYR CB C 34 40.260 40.260 37.060 3.200 17629 869 1 3 . 1 1 34 34 TYR H H 34 7.457 7.457 8.783 -1.326 17629 870 1 3 . 1 1 35 35 LYS N N 35 122.237 122.237 113.954 8.283 17629 871 1 3 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.735 0.864 17629 872 1 3 . 1 1 35 35 LYS C C 35 175.174 175.174 175.034 0.140 17629 873 1 3 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.196 -0.448 17629 874 1 3 . 1 1 35 35 LYS H H 35 8.697 8.697 8.460 0.237 17629 875 1 3 . 1 1 36 36 HIS N N 36 127.413 127.413 117.413 10.000 17629 876 1 3 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.854 -0.202 17629 877 1 3 . 1 1 36 36 HIS C C 36 175.918 175.918 173.853 2.065 17629 878 1 3 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.554 3.780 17629 879 1 3 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.991 0.791 17629 880 1 3 . 1 1 36 36 HIS H H 36 8.122 8.122 7.686 0.436 17629 881 1 3 . 1 1 37 37 GLY N N 37 105.500 105.500 109.092 -3.592 17629 882 1 3 . 1 1 37 37 GLY C C 37 174.073 174.073 174.125 -0.052 17629 883 1 3 . 1 1 37 37 GLY CA C 37 43.784 43.784 43.979 -0.195 17629 884 1 3 . 1 1 37 37 GLY H H 37 8.000 8.000 9.247 -1.247 17629 885 1 3 . 1 1 38 38 GLN N N 38 114.228 114.228 123.616 -9.388 17629 886 1 3 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.806 -0.715 17629 887 1 3 . 1 1 38 38 GLN C C 38 175.546 175.546 174.957 0.589 17629 888 1 3 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.756 1.182 17629 889 1 3 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.378 0.182 17629 890 1 3 . 1 1 38 38 GLN H H 38 9.025 9.025 7.769 1.256 17629 891 1 3 . 1 1 39 39 GLY N N 39 104.000 104.000 115.776 -11.776 17629 892 1 3 . 1 1 39 39 GLY C C 39 174.892 174.892 172.469 2.423 17629 893 1 3 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.952 2.658 17629 894 1 3 . 1 1 39 39 GLY H H 39 8.664 8.664 8.909 -0.245 17629 895 1 3 . 1 1 40 40 TRP N N 40 120.355 120.355 120.017 0.338 17629 896 1 3 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.507 -0.256 17629 897 1 3 . 1 1 40 40 TRP C C 40 175.702 175.702 175.985 -0.283 17629 898 1 3 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.783 1.816 17629 899 1 3 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.295 0.063 17629 900 1 3 . 1 1 40 40 TRP H H 40 7.938 7.938 8.239 -0.301 17629 901 1 3 . 1 1 41 41 LEU N N 41 121.736 121.736 122.286 -0.550 17629 902 1 3 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.103 0.864 17629 903 1 3 . 1 1 41 41 LEU C C 41 174.893 174.893 177.606 -2.713 17629 904 1 3 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.756 -1.817 17629 905 1 3 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.214 1.442 17629 906 1 3 . 1 1 41 41 LEU H H 41 9.626 9.626 8.570 1.056 17629 907 1 3 . 1 1 42 42 VAL N N 42 120.248 120.248 118.448 1.800 17629 908 1 3 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.795 0.313 17629 909 1 3 . 1 1 42 42 VAL C C 42 173.905 173.905 177.402 -3.497 17629 910 1 3 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.539 -1.240 17629 911 1 3 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.802 -0.040 17629 912 1 3 . 1 1 42 42 VAL H H 42 8.593 8.593 8.569 0.024 17629 913 1 3 . 1 1 43 43 ALA N N 43 130.238 130.238 120.926 9.312 17629 914 1 3 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.129 1.360 17629 915 1 3 . 1 1 43 43 ALA C C 43 174.736 174.736 178.590 -3.854 17629 916 1 3 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.817 -4.119 17629 917 1 3 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.174 5.952 17629 918 1 3 . 1 1 43 43 ALA H H 43 9.080 9.080 7.917 1.163 17629 919 1 3 . 1 1 44 44 GLU N N 44 118.066 118.066 120.728 -2.662 17629 920 1 3 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.105 1.265 17629 921 1 3 . 1 1 44 44 GLU C C 44 176.343 176.343 176.749 -0.406 17629 922 1 3 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.235 -3.321 17629 923 1 3 . 1 1 44 44 GLU H H 44 9.055 9.055 7.831 1.224 17629 924 1 3 . 1 1 45 45 ASN N N 45 118.721 118.721 117.252 1.469 17629 925 1 3 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.778 0.042 17629 926 1 3 . 1 1 45 45 ASN C C 45 175.581 175.581 175.724 -0.143 17629 927 1 3 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.412 -1.411 17629 928 1 3 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.030 -1.263 17629 929 1 3 . 1 1 45 45 ASN H H 45 8.342 8.342 8.224 0.118 17629 930 1 3 . 1 1 46 46 GLU N N 46 120.491 120.491 121.970 -1.479 17629 931 1 3 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.576 -0.626 17629 932 1 3 . 1 1 46 46 GLU C C 46 177.658 177.658 174.567 3.091 17629 933 1 3 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.709 4.429 17629 934 1 3 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.200 -1.692 17629 935 1 3 . 1 1 46 46 GLU H H 46 8.521 8.521 7.868 0.653 17629 936 1 3 . 1 1 47 47 SER N N 47 109.172 109.172 122.427 -13.255 17629 937 1 3 . 1 1 47 47 SER HA H 47 4.376 4.376 5.178 -0.802 17629 938 1 3 . 1 1 47 47 SER C C 47 175.760 175.760 173.607 2.153 17629 939 1 3 . 1 1 47 47 SER CA C 47 58.349 58.349 57.021 1.328 17629 940 1 3 . 1 1 47 47 SER CB C 47 63.906 63.906 66.635 -2.729 17629 941 1 3 . 1 1 47 47 SER H H 47 8.029 8.029 8.627 -0.598 17629 942 1 3 . 1 1 48 48 GLY N N 48 112.365 112.365 111.372 0.993 17629 943 1 3 . 1 1 48 48 GLY C C 48 174.289 174.289 171.849 2.440 17629 944 1 3 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.145 0.801 17629 945 1 3 . 1 1 48 48 GLY H H 48 8.002 8.002 9.088 -1.086 17629 946 1 3 . 1 1 49 49 SER N N 49 116.280 116.280 115.153 1.127 17629 947 1 3 . 1 1 49 49 SER HA H 49 4.387 4.387 4.987 -0.600 17629 948 1 3 . 1 1 49 49 SER C C 49 174.474 174.474 174.107 0.367 17629 949 1 3 . 1 1 49 49 SER CA C 49 58.778 58.778 57.699 1.079 17629 950 1 3 . 1 1 49 49 SER CB C 49 64.138 64.138 64.641 -0.503 17629 951 1 3 . 1 1 49 49 SER H H 49 8.529 8.529 8.276 0.253 17629 952 1 3 . 1 1 50 50 LYS N N 50 122.336 122.336 117.253 5.083 17629 953 1 3 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.173 -0.496 17629 954 1 3 . 1 1 50 50 LYS C C 50 173.788 173.788 174.074 -0.286 17629 955 1 3 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.495 3.426 17629 956 1 3 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.428 1.234 17629 957 1 3 . 1 1 50 50 LYS H H 50 7.879 7.879 9.173 -1.294 17629 958 1 3 . 1 1 51 51 THR HA H 51 5.465 5.465 4.033 1.432 17629 959 1 3 . 1 1 51 51 THR C C 51 173.478 173.478 174.127 -0.649 17629 960 1 3 . 1 1 51 51 THR CA C 51 59.703 59.703 61.539 -1.836 17629 961 1 3 . 1 1 51 51 THR CB C 51 71.505 71.505 69.131 2.374 17629 962 1 3 . 1 1 52 52 GLY N N 52 110.609 110.609 110.951 -0.342 17629 963 1 3 . 1 1 52 52 GLY C C 52 170.386 170.386 176.296 -5.910 17629 964 1 3 . 1 1 52 52 GLY CA C 52 45.377 45.377 47.196 -1.819 17629 965 1 3 . 1 1 52 52 GLY H H 52 9.039 9.039 8.292 0.747 17629 966 1 3 . 1 1 53 53 LEU N N 53 120.239 120.239 119.000 1.239 17629 967 1 3 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.313 0.886 17629 968 1 3 . 1 1 53 53 LEU C C 53 177.929 177.929 176.809 1.120 17629 969 1 3 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.141 -1.523 17629 970 1 3 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.517 2.526 17629 971 1 3 . 1 1 53 53 LEU H H 53 9.169 9.169 8.475 0.694 17629 972 1 3 . 1 1 54 54 VAL N N 54 111.925 111.925 115.811 -3.886 17629 973 1 3 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.489 0.351 17629 974 1 3 . 1 1 54 54 VAL C C 54 172.319 172.319 174.688 -2.369 17629 975 1 3 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.900 -3.710 17629 976 1 3 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.570 0.632 17629 977 1 3 . 1 1 54 54 VAL H H 54 9.191 9.191 7.652 1.539 17629 978 1 3 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.328 -1.215 17629 979 1 3 . 1 1 55 55 PRO C C 55 178.107 178.107 176.120 1.987 17629 980 1 3 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.481 0.555 17629 981 1 3 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.305 -3.875 17629 982 1 3 . 1 1 56 56 GLU N N 56 126.923 126.923 121.303 5.620 17629 983 1 3 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.664 -0.908 17629 984 1 3 . 1 1 56 56 GLU C C 56 177.586 177.586 176.159 1.427 17629 985 1 3 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.872 4.180 17629 986 1 3 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.295 -1.082 17629 987 1 3 . 1 1 56 56 GLU H H 56 8.503 8.503 8.701 -0.198 17629 988 1 3 . 1 1 57 57 GLU N N 57 113.138 113.138 127.911 -14.773 17629 989 1 3 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.280 0.055 17629 990 1 3 . 1 1 57 57 GLU C C 57 175.950 175.950 177.066 -1.116 17629 991 1 3 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.175 -0.541 17629 992 1 3 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.163 0.652 17629 993 1 3 . 1 1 57 57 GLU H H 57 8.743 8.743 9.024 -0.281 17629 994 1 3 . 1 1 58 58 PHE N N 58 116.994 116.994 124.593 -7.599 17629 995 1 3 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.641 0.146 17629 996 1 3 . 1 1 58 58 PHE C C 58 174.773 174.773 175.366 -0.593 17629 997 1 3 . 1 1 58 58 PHE CB C 58 38.671 38.671 39.879 -1.208 17629 998 1 3 . 1 1 58 58 PHE H H 58 8.002 8.002 8.097 -0.095 17629 999 1 3 . 1 1 59 59 VAL N N 59 110.037 110.037 124.602 -14.565 17629 1000 1 3 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.447 0.963 17629 1001 1 3 . 1 1 59 59 VAL C C 59 173.781 173.781 174.234 -0.453 17629 1002 1 3 . 1 1 59 59 VAL CA C 59 57.922 57.922 60.193 -2.271 17629 1003 1 3 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.290 0.882 17629 1004 1 3 . 1 1 59 59 VAL H H 59 7.328 7.328 8.423 -1.095 17629 1005 1 3 . 1 1 60 60 SER HA H 60 4.711 4.711 4.446 0.265 17629 1006 1 3 . 1 1 60 60 SER C C 60 174.901 174.901 174.084 0.817 17629 1007 1 3 . 1 1 60 60 SER CA C 60 55.416 55.416 59.692 -4.276 17629 1008 1 3 . 1 1 60 60 SER CB C 60 64.846 64.846 63.885 0.961 17629 1009 1 3 . 1 1 61 61 TYR N N 61 126.709 126.709 115.915 10.794 17629 1010 1 3 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.692 -0.118 17629 1011 1 3 . 1 1 61 61 TYR C C 61 176.232 176.232 173.793 2.439 17629 1012 1 3 . 1 1 61 61 TYR CA C 61 59.240 59.240 57.903 1.337 17629 1013 1 3 . 1 1 61 61 TYR CB C 61 37.986 37.986 39.080 -1.093 17629 1014 1 3 . 1 1 61 61 TYR H H 61 8.560 8.560 8.200 0.360 17629 1015 1 3 . 1 1 62 62 ILE N N 62 122.059 122.059 121.496 0.563 17629 1016 1 3 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.442 -0.199 17629 1017 1 3 . 1 1 62 62 ILE C C 62 175.812 175.812 175.639 0.173 17629 1018 1 3 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.245 0.385 17629 1019 1 3 . 1 1 62 62 ILE CB C 62 39.160 39.160 38.993 0.167 17629 1020 1 3 . 1 1 62 62 ILE H H 62 8.303 8.303 7.632 0.671 17629 1021 1 4 . 1 1 2 2 LYS N N 2 125.410 125.410 124.489 0.921 17629 1022 1 4 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.562 -0.444 17629 1023 1 4 . 1 1 2 2 LYS C C 2 176.439 176.439 176.289 0.150 17629 1024 1 4 . 1 1 2 2 LYS CA C 2 51.573 51.573 50.988 0.585 17629 1025 1 4 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.948 -0.748 17629 1026 1 4 . 1 1 2 2 LYS H H 2 8.079 8.079 7.852 0.227 17629 1027 1 4 . 1 1 3 3 PHE N N 3 123.092 123.092 124.081 -0.989 17629 1028 1 4 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.215 -0.794 17629 1029 1 4 . 1 1 3 3 PHE C C 3 175.856 175.856 174.705 1.151 17629 1030 1 4 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.255 1.410 17629 1031 1 4 . 1 1 3 3 PHE CB C 3 38.611 38.611 40.101 -1.490 17629 1032 1 4 . 1 1 3 3 PHE H H 3 8.251 8.251 8.684 -0.433 17629 1033 1 4 . 1 1 4 4 ILE N N 4 125.149 125.149 118.456 6.693 17629 1034 1 4 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.695 -0.480 17629 1035 1 4 . 1 1 4 4 ILE C C 4 175.190 175.190 172.816 2.374 17629 1036 1 4 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.475 1.304 17629 1037 1 4 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.691 -2.159 17629 1038 1 4 . 1 1 4 4 ILE H H 4 7.775 7.775 8.859 -1.084 17629 1039 1 4 . 1 1 5 5 PRO N N 5 121.258 121.258 118.997 2.261 17629 1040 1 4 . 1 1 5 5 PRO HA H 5 3.759 3.759 4.926 -1.167 17629 1041 1 4 . 1 1 5 5 PRO C C 5 174.455 174.455 173.476 0.979 17629 1042 1 4 . 1 1 5 5 PRO CA C 5 53.340 53.340 50.317 3.023 17629 1043 1 4 . 1 1 5 5 PRO CB C 5 37.870 37.870 43.085 -5.215 17629 1044 1 4 . 1 1 5 5 PRO H H 5 8.238 8.238 8.539 -0.301 17629 1045 1 4 . 1 1 6 6 SER N N 6 118.930 118.930 126.360 -7.430 17629 1046 1 4 . 1 1 6 6 SER HA H 6 4.439 4.439 4.806 -0.367 17629 1047 1 4 . 1 1 6 6 SER C C 6 174.756 174.756 176.089 -1.333 17629 1048 1 4 . 1 1 6 6 SER CA C 6 55.269 55.269 54.603 0.666 17629 1049 1 4 . 1 1 6 6 SER CB C 6 31.970 31.970 28.315 3.655 17629 1050 1 4 . 1 1 6 6 SER H H 6 9.042 9.042 8.726 0.316 17629 1051 1 4 . 1 1 7 7 ARG N N 7 124.908 124.908 125.228 -0.320 17629 1052 1 4 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.836 1.162 17629 1053 1 4 . 1 1 7 7 ARG C C 7 175.313 175.313 175.622 -0.309 17629 1054 1 4 . 1 1 7 7 ARG CA C 7 56.469 56.469 58.330 -1.861 17629 1055 1 4 . 1 1 7 7 ARG CB C 7 32.540 32.540 29.891 2.649 17629 1056 1 4 . 1 1 7 7 ARG H H 7 7.601 7.601 8.628 -1.027 17629 1057 1 4 . 1 1 8 8 ALA N N 8 126.210 126.210 115.466 10.744 17629 1058 1 4 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.291 0.699 17629 1059 1 4 . 1 1 8 8 ALA C C 8 173.314 173.314 176.152 -2.838 17629 1060 1 4 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.263 1.507 17629 1061 1 4 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.497 1.718 17629 1062 1 4 . 1 1 8 8 ALA H H 8 9.198 9.198 7.139 2.059 17629 1063 1 4 . 1 1 9 9 ALA N N 9 117.480 117.480 119.529 -2.049 17629 1064 1 4 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.526 -0.922 17629 1065 1 4 . 1 1 9 9 ALA C C 9 174.805 174.805 175.067 -0.262 17629 1066 1 4 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.508 -4.683 17629 1067 1 4 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.315 2.842 17629 1068 1 4 . 1 1 9 9 ALA H H 9 8.571 8.571 8.051 0.520 17629 1069 1 4 . 1 1 10 10 PRO N N 10 127.491 127.491 126.177 1.314 17629 1070 1 4 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.910 -0.441 17629 1071 1 4 . 1 1 10 10 PRO C C 10 178.703 178.703 175.427 3.276 17629 1072 1 4 . 1 1 10 10 PRO CA C 10 51.821 51.821 50.891 0.930 17629 1073 1 4 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.553 -3.356 17629 1074 1 4 . 1 1 10 10 PRO H H 10 9.208 9.208 8.667 0.541 17629 1075 1 4 . 1 1 11 11 LYS N N 11 127.224 127.224 125.597 1.627 17629 1076 1 4 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.478 0.069 17629 1077 1 4 . 1 1 11 11 LYS C C 11 175.084 175.084 173.832 1.252 17629 1078 1 4 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.684 5.661 17629 1079 1 4 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.763 -0.326 17629 1080 1 4 . 1 1 11 11 LYS H H 11 8.270 8.270 7.936 0.334 17629 1081 1 4 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.610 -0.855 17629 1082 1 4 . 1 1 12 12 PRO C C 12 173.503 173.503 174.524 -1.021 17629 1083 1 4 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.705 3.082 17629 1084 1 4 . 1 1 13 13 PRO N N 13 117.819 117.819 120.419 -2.600 17629 1085 1 4 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.536 -0.218 17629 1086 1 4 . 1 1 13 13 PRO C C 13 175.940 175.940 175.681 0.259 17629 1087 1 4 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.123 1.446 17629 1088 1 4 . 1 1 13 13 PRO CB C 13 41.489 41.489 42.402 -0.913 17629 1089 1 4 . 1 1 13 13 PRO H H 13 8.361 8.361 9.074 -0.713 17629 1090 1 4 . 1 1 14 14 SER N N 14 122.300 122.300 119.853 2.447 17629 1091 1 4 . 1 1 14 14 SER HA H 14 4.361 4.361 4.669 -0.308 17629 1092 1 4 . 1 1 14 14 SER C C 14 172.522 172.522 175.039 -2.517 17629 1093 1 4 . 1 1 14 14 SER CA C 14 56.389 56.389 57.273 -0.883 17629 1094 1 4 . 1 1 14 14 SER CB C 14 42.864 42.864 40.892 1.972 17629 1095 1 4 . 1 1 14 14 SER H H 14 8.138 8.138 7.658 0.480 17629 1096 1 4 . 1 1 15 15 GLU N N 15 128.991 128.991 119.378 9.613 17629 1097 1 4 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.431 0.256 17629 1098 1 4 . 1 1 15 15 GLU C C 15 172.941 172.941 175.490 -2.549 17629 1099 1 4 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.284 -5.869 17629 1100 1 4 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.250 0.940 17629 1101 1 4 . 1 1 15 15 GLU H H 15 8.234 8.234 8.591 -0.357 17629 1102 1 4 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.331 -0.030 17629 1103 1 4 . 1 1 16 16 ALA C C 16 177.175 177.175 176.068 1.107 17629 1104 1 4 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.592 0.007 17629 1105 1 4 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.472 2.013 17629 1106 1 4 . 1 1 16 16 ALA H H 16 8.263 8.263 7.916 0.347 17629 1107 1 4 . 1 1 17 17 GLU N N 17 119.882 119.882 119.781 0.101 17629 1108 1 4 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.698 -0.319 17629 1109 1 4 . 1 1 17 17 GLU C C 17 175.065 175.065 175.238 -0.173 17629 1110 1 4 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.552 0.029 17629 1111 1 4 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.046 -0.269 17629 1112 1 4 . 1 1 17 17 GLU H H 17 8.952 8.952 7.529 1.423 17629 1113 1 4 . 1 1 18 18 ASN N N 18 114.565 114.565 119.945 -5.380 17629 1114 1 4 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.146 -0.276 17629 1115 1 4 . 1 1 18 18 ASN C C 18 175.256 175.256 174.064 1.192 17629 1116 1 4 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.321 0.629 17629 1117 1 4 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.289 2.157 17629 1118 1 4 . 1 1 18 18 ASN H H 18 7.177 7.177 9.217 -2.040 17629 1119 1 4 . 1 1 19 19 ASP N N 19 120.622 120.622 121.580 -0.958 17629 1120 1 4 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.941 -0.429 17629 1121 1 4 . 1 1 19 19 ASP C C 19 175.848 175.848 175.964 -0.116 17629 1122 1 4 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.591 1.859 17629 1123 1 4 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.805 -1.146 17629 1124 1 4 . 1 1 19 19 ASP H H 19 8.753 8.753 8.490 0.263 17629 1125 1 4 . 1 1 20 20 ASN N N 20 115.197 115.197 119.139 -3.942 17629 1126 1 4 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.179 -0.414 17629 1127 1 4 . 1 1 20 20 ASN C C 20 174.017 174.017 173.637 0.380 17629 1128 1 4 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.227 -5.809 17629 1129 1 4 . 1 1 20 20 ASN H H 20 8.124 8.124 9.198 -1.074 17629 1130 1 4 . 1 1 21 21 GLU N N 21 119.591 119.591 122.883 -3.292 17629 1131 1 4 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.680 0.169 17629 1132 1 4 . 1 1 21 21 GLU C C 21 174.638 174.638 174.648 -0.010 17629 1133 1 4 . 1 1 21 21 GLU CA C 21 54.545 54.545 54.949 -0.404 17629 1134 1 4 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.545 0.163 17629 1135 1 4 . 1 1 21 21 GLU H H 21 7.453 7.453 8.324 -0.871 17629 1136 1 4 . 1 1 22 22 LEU N N 22 126.694 126.694 126.682 0.012 17629 1137 1 4 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.918 0.437 17629 1138 1 4 . 1 1 22 22 LEU C C 22 173.258 173.258 178.053 -4.795 17629 1139 1 4 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.449 -3.001 17629 1140 1 4 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.592 2.758 17629 1141 1 4 . 1 1 22 22 LEU H H 22 8.765 8.765 8.849 -0.084 17629 1142 1 4 . 1 1 23 23 ARG N N 23 123.640 123.640 127.898 -4.258 17629 1143 1 4 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.847 0.329 17629 1144 1 4 . 1 1 23 23 ARG C C 23 176.038 176.038 175.659 0.379 17629 1145 1 4 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.733 1.386 17629 1146 1 4 . 1 1 23 23 ARG H H 23 8.023 8.023 8.989 -0.966 17629 1147 1 4 . 1 1 24 24 LEU N N 24 122.047 122.047 122.578 -0.531 17629 1148 1 4 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.503 0.423 17629 1149 1 4 . 1 1 24 24 LEU C C 24 176.320 176.320 176.003 0.317 17629 1150 1 4 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.012 -1.423 17629 1151 1 4 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.010 2.831 17629 1152 1 4 . 1 1 24 24 LEU H H 24 8.686 8.686 8.237 0.449 17629 1153 1 4 . 1 1 25 25 ALA N N 25 127.826 127.826 123.134 4.692 17629 1154 1 4 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.649 0.401 17629 1155 1 4 . 1 1 25 25 ALA C C 25 176.497 176.497 176.780 -0.283 17629 1156 1 4 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.603 -0.867 17629 1157 1 4 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.692 1.075 17629 1158 1 4 . 1 1 25 25 ALA H H 25 8.747 8.747 8.272 0.475 17629 1159 1 4 . 1 1 26 26 GLU N N 26 121.396 121.396 117.358 4.038 17629 1160 1 4 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.983 -1.792 17629 1161 1 4 . 1 1 26 26 GLU C C 26 177.095 177.095 174.271 2.824 17629 1162 1 4 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.499 4.956 17629 1163 1 4 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.601 -4.161 17629 1164 1 4 . 1 1 26 26 GLU H H 26 8.756 8.756 8.773 -0.017 17629 1165 1 4 . 1 1 27 27 GLY N N 27 115.237 115.237 109.031 6.206 17629 1166 1 4 . 1 1 27 27 GLY C C 27 174.571 174.571 174.847 -0.276 17629 1167 1 4 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.824 1.952 17629 1168 1 4 . 1 1 27 27 GLY H H 27 8.878 8.878 8.572 0.306 17629 1169 1 4 . 1 1 28 28 ASP N N 28 122.805 122.805 125.621 -2.816 17629 1170 1 4 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.661 -0.179 17629 1171 1 4 . 1 1 28 28 ASP C C 28 174.781 174.781 176.830 -2.049 17629 1172 1 4 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.856 2.637 17629 1173 1 4 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.743 3.991 17629 1174 1 4 . 1 1 28 28 ASP H H 28 8.655 8.655 8.826 -0.171 17629 1175 1 4 . 1 1 29 29 ILE N N 29 120.912 120.912 128.071 -7.159 17629 1176 1 4 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.165 0.744 17629 1177 1 4 . 1 1 29 29 ILE C C 29 176.392 176.392 175.497 0.895 17629 1178 1 4 . 1 1 29 29 ILE CA C 29 58.935 58.935 64.916 -5.981 17629 1179 1 4 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.318 -1.708 17629 1180 1 4 . 1 1 29 29 ILE H H 29 8.484 8.484 8.535 -0.051 17629 1181 1 4 . 1 1 30 30 VAL N N 30 118.766 118.766 113.952 4.814 17629 1182 1 4 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.352 0.492 17629 1183 1 4 . 1 1 30 30 VAL C C 30 173.455 173.455 173.327 0.128 17629 1184 1 4 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.809 -2.674 17629 1185 1 4 . 1 1 30 30 VAL CB C 30 35.470 35.470 33.035 2.435 17629 1186 1 4 . 1 1 30 30 VAL H H 30 8.840 8.840 7.442 1.398 17629 1187 1 4 . 1 1 31 31 PHE N N 31 118.993 118.993 123.266 -4.273 17629 1188 1 4 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.611 0.355 17629 1189 1 4 . 1 1 31 31 PHE C C 31 175.600 175.600 174.552 1.048 17629 1190 1 4 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.028 -1.331 17629 1191 1 4 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.909 1.261 17629 1192 1 4 . 1 1 31 31 PHE H H 31 8.961 8.961 8.905 0.056 17629 1193 1 4 . 1 1 32 32 ILE N N 32 124.714 124.714 126.550 -1.836 17629 1194 1 4 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.497 -0.127 17629 1195 1 4 . 1 1 32 32 ILE C C 32 175.776 175.776 175.770 0.006 17629 1196 1 4 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.435 -1.886 17629 1197 1 4 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.671 -5.636 17629 1198 1 4 . 1 1 32 32 ILE H H 32 9.043 9.043 8.273 0.770 17629 1199 1 4 . 1 1 33 33 SER N N 33 124.251 124.251 115.052 9.199 17629 1200 1 4 . 1 1 33 33 SER HA H 33 4.630 4.630 4.197 0.433 17629 1201 1 4 . 1 1 33 33 SER C C 33 175.353 175.353 174.494 0.859 17629 1202 1 4 . 1 1 33 33 SER CA C 33 59.396 59.396 58.429 0.967 17629 1203 1 4 . 1 1 33 33 SER H H 33 9.128 9.128 8.056 1.072 17629 1204 1 4 . 1 1 34 34 TYR N N 34 114.956 114.956 115.509 -0.553 17629 1205 1 4 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.228 0.620 17629 1206 1 4 . 1 1 34 34 TYR C C 34 172.582 172.582 175.641 -3.059 17629 1207 1 4 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.061 -1.939 17629 1208 1 4 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.620 3.640 17629 1209 1 4 . 1 1 34 34 TYR H H 34 7.457 7.457 8.759 -1.302 17629 1210 1 4 . 1 1 35 35 LYS N N 35 122.237 122.237 113.753 8.484 17629 1211 1 4 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.738 0.861 17629 1212 1 4 . 1 1 35 35 LYS C C 35 175.174 175.174 174.997 0.177 17629 1213 1 4 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.306 -0.559 17629 1214 1 4 . 1 1 35 35 LYS H H 35 8.697 8.697 8.433 0.264 17629 1215 1 4 . 1 1 36 36 HIS N N 36 127.413 127.413 117.287 10.126 17629 1216 1 4 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.810 -0.158 17629 1217 1 4 . 1 1 36 36 HIS C C 36 175.918 175.918 173.754 2.164 17629 1218 1 4 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.758 3.576 17629 1219 1 4 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.930 0.852 17629 1220 1 4 . 1 1 36 36 HIS H H 36 8.122 8.122 7.731 0.391 17629 1221 1 4 . 1 1 37 37 GLY N N 37 105.500 105.500 108.938 -3.438 17629 1222 1 4 . 1 1 37 37 GLY C C 37 174.073 174.073 174.038 0.035 17629 1223 1 4 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.009 -0.225 17629 1224 1 4 . 1 1 37 37 GLY H H 37 8.000 8.000 9.180 -1.180 17629 1225 1 4 . 1 1 38 38 GLN N N 38 114.228 114.228 124.002 -9.774 17629 1226 1 4 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.733 -0.642 17629 1227 1 4 . 1 1 38 38 GLN C C 38 175.546 175.546 174.739 0.807 17629 1228 1 4 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.386 1.552 17629 1229 1 4 . 1 1 38 38 GLN CB C 38 27.560 27.560 26.909 0.651 17629 1230 1 4 . 1 1 38 38 GLN H H 38 9.025 9.025 7.908 1.117 17629 1231 1 4 . 1 1 39 39 GLY N N 39 104.000 104.000 116.171 -12.171 17629 1232 1 4 . 1 1 39 39 GLY C C 39 174.892 174.892 172.714 2.178 17629 1233 1 4 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.727 2.883 17629 1234 1 4 . 1 1 39 39 GLY H H 39 8.664 8.664 8.895 -0.231 17629 1235 1 4 . 1 1 40 40 TRP N N 40 120.355 120.355 120.831 -0.476 17629 1236 1 4 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.513 -0.262 17629 1237 1 4 . 1 1 40 40 TRP C C 40 175.702 175.702 176.137 -0.435 17629 1238 1 4 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.658 1.941 17629 1239 1 4 . 1 1 40 40 TRP CB C 40 33.358 33.358 32.989 0.369 17629 1240 1 4 . 1 1 40 40 TRP H H 40 7.938 7.938 8.263 -0.325 17629 1241 1 4 . 1 1 41 41 LEU N N 41 121.736 121.736 121.780 -0.044 17629 1242 1 4 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.160 0.807 17629 1243 1 4 . 1 1 41 41 LEU C C 41 174.893 174.893 177.672 -2.779 17629 1244 1 4 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.529 -1.590 17629 1245 1 4 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.425 1.231 17629 1246 1 4 . 1 1 41 41 LEU H H 41 9.626 9.626 8.569 1.057 17629 1247 1 4 . 1 1 42 42 VAL N N 42 120.248 120.248 118.377 1.871 17629 1248 1 4 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.831 0.277 17629 1249 1 4 . 1 1 42 42 VAL C C 42 173.905 173.905 177.504 -3.599 17629 1250 1 4 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.594 -1.295 17629 1251 1 4 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.787 -0.025 17629 1252 1 4 . 1 1 42 42 VAL H H 42 8.593 8.593 8.544 0.049 17629 1253 1 4 . 1 1 43 43 ALA N N 43 130.238 130.238 120.578 9.660 17629 1254 1 4 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.125 1.364 17629 1255 1 4 . 1 1 43 43 ALA C C 43 174.736 174.736 178.438 -3.702 17629 1256 1 4 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.082 -3.384 17629 1257 1 4 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.258 5.868 17629 1258 1 4 . 1 1 43 43 ALA H H 43 9.080 9.080 7.946 1.134 17629 1259 1 4 . 1 1 44 44 GLU N N 44 118.066 118.066 119.522 -1.456 17629 1260 1 4 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.127 1.243 17629 1261 1 4 . 1 1 44 44 GLU C C 44 176.343 176.343 176.767 -0.424 17629 1262 1 4 . 1 1 44 44 GLU CA C 44 53.914 53.914 56.990 -3.076 17629 1263 1 4 . 1 1 44 44 GLU H H 44 9.055 9.055 7.901 1.154 17629 1264 1 4 . 1 1 45 45 ASN N N 45 118.721 118.721 117.491 1.230 17629 1265 1 4 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.848 -0.028 17629 1266 1 4 . 1 1 45 45 ASN C C 45 175.581 175.581 175.464 0.117 17629 1267 1 4 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.205 -1.204 17629 1268 1 4 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.178 -1.411 17629 1269 1 4 . 1 1 45 45 ASN H H 45 8.342 8.342 8.158 0.184 17629 1270 1 4 . 1 1 46 46 GLU N N 46 120.491 120.491 122.024 -1.533 17629 1271 1 4 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.572 -0.622 17629 1272 1 4 . 1 1 46 46 GLU C C 46 177.658 177.658 174.749 2.909 17629 1273 1 4 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.772 4.366 17629 1274 1 4 . 1 1 46 46 GLU CB C 46 29.508 29.508 30.854 -1.345 17629 1275 1 4 . 1 1 46 46 GLU H H 46 8.521 8.521 7.882 0.639 17629 1276 1 4 . 1 1 47 47 SER N N 47 109.172 109.172 122.729 -13.557 17629 1277 1 4 . 1 1 47 47 SER HA H 47 4.376 4.376 5.079 -0.703 17629 1278 1 4 . 1 1 47 47 SER C C 47 175.760 175.760 173.742 2.018 17629 1279 1 4 . 1 1 47 47 SER CA C 47 58.349 58.349 57.505 0.844 17629 1280 1 4 . 1 1 47 47 SER CB C 47 63.906 63.906 66.233 -2.327 17629 1281 1 4 . 1 1 47 47 SER H H 47 8.029 8.029 8.688 -0.659 17629 1282 1 4 . 1 1 48 48 GLY N N 48 112.365 112.365 112.054 0.311 17629 1283 1 4 . 1 1 48 48 GLY C C 48 174.289 174.289 171.772 2.517 17629 1284 1 4 . 1 1 48 48 GLY CA C 48 45.946 45.946 44.584 1.362 17629 1285 1 4 . 1 1 48 48 GLY H H 48 8.002 8.002 8.898 -0.896 17629 1286 1 4 . 1 1 49 49 SER N N 49 116.280 116.280 115.252 1.028 17629 1287 1 4 . 1 1 49 49 SER HA H 49 4.387 4.387 5.059 -0.672 17629 1288 1 4 . 1 1 49 49 SER C C 49 174.474 174.474 174.279 0.195 17629 1289 1 4 . 1 1 49 49 SER CA C 49 58.778 58.778 57.815 0.963 17629 1290 1 4 . 1 1 49 49 SER CB C 49 64.138 64.138 64.615 -0.477 17629 1291 1 4 . 1 1 49 49 SER H H 49 8.529 8.529 8.113 0.416 17629 1292 1 4 . 1 1 50 50 LYS N N 50 122.336 122.336 118.355 3.981 17629 1293 1 4 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.150 -0.473 17629 1294 1 4 . 1 1 50 50 LYS C C 50 173.788 173.788 173.867 -0.079 17629 1295 1 4 . 1 1 50 50 LYS CA C 50 55.921 55.921 51.729 4.192 17629 1296 1 4 . 1 1 50 50 LYS CB C 50 36.662 36.662 34.945 1.717 17629 1297 1 4 . 1 1 50 50 LYS H H 50 7.879 7.879 9.380 -1.501 17629 1298 1 4 . 1 1 51 51 THR HA H 51 5.465 5.465 4.003 1.462 17629 1299 1 4 . 1 1 51 51 THR C C 51 173.478 173.478 174.147 -0.669 17629 1300 1 4 . 1 1 51 51 THR CA C 51 59.703 59.703 61.350 -1.647 17629 1301 1 4 . 1 1 51 51 THR CB C 51 71.505 71.505 69.126 2.379 17629 1302 1 4 . 1 1 52 52 GLY N N 52 110.609 110.609 111.255 -0.646 17629 1303 1 4 . 1 1 52 52 GLY C C 52 170.386 170.386 175.945 -5.559 17629 1304 1 4 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.940 -1.562 17629 1305 1 4 . 1 1 52 52 GLY H H 52 9.039 9.039 8.562 0.477 17629 1306 1 4 . 1 1 53 53 LEU N N 53 120.239 120.239 118.874 1.365 17629 1307 1 4 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.329 0.870 17629 1308 1 4 . 1 1 53 53 LEU C C 53 177.929 177.929 176.723 1.206 17629 1309 1 4 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.291 -1.673 17629 1310 1 4 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.498 2.546 17629 1311 1 4 . 1 1 53 53 LEU H H 53 9.169 9.169 8.443 0.726 17629 1312 1 4 . 1 1 54 54 VAL N N 54 111.925 111.925 116.507 -4.582 17629 1313 1 4 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.467 0.373 17629 1314 1 4 . 1 1 54 54 VAL C C 54 172.319 172.319 174.559 -2.240 17629 1315 1 4 . 1 1 54 54 VAL CA C 54 57.190 57.190 61.180 -3.990 17629 1316 1 4 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.619 0.583 17629 1317 1 4 . 1 1 54 54 VAL H H 54 9.191 9.191 7.638 1.553 17629 1318 1 4 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.377 -1.264 17629 1319 1 4 . 1 1 55 55 PRO C C 55 178.107 178.107 176.157 1.950 17629 1320 1 4 . 1 1 55 55 PRO CA C 55 61.036 61.036 59.189 1.847 17629 1321 1 4 . 1 1 55 55 PRO CB C 55 31.430 31.430 34.966 -3.536 17629 1322 1 4 . 1 1 56 56 GLU N N 56 126.923 126.923 120.768 6.155 17629 1323 1 4 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.606 -0.850 17629 1324 1 4 . 1 1 56 56 GLU C C 56 177.586 177.586 175.937 1.649 17629 1325 1 4 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.823 4.229 17629 1326 1 4 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.259 -1.046 17629 1327 1 4 . 1 1 56 56 GLU H H 56 8.503 8.503 8.585 -0.082 17629 1328 1 4 . 1 1 57 57 GLU N N 57 113.138 113.138 127.712 -14.574 17629 1329 1 4 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.291 0.044 17629 1330 1 4 . 1 1 57 57 GLU C C 57 175.950 175.950 177.020 -1.070 17629 1331 1 4 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.124 -0.490 17629 1332 1 4 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.120 0.695 17629 1333 1 4 . 1 1 57 57 GLU H H 57 8.743 8.743 9.000 -0.257 17629 1334 1 4 . 1 1 58 58 PHE N N 58 116.994 116.994 125.606 -8.612 17629 1335 1 4 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.529 0.258 17629 1336 1 4 . 1 1 58 58 PHE C C 58 174.773 174.773 174.692 0.081 17629 1337 1 4 . 1 1 58 58 PHE CB C 58 38.671 38.671 39.617 -0.946 17629 1338 1 4 . 1 1 58 58 PHE H H 58 8.002 8.002 7.984 0.018 17629 1339 1 4 . 1 1 59 59 VAL N N 59 110.037 110.037 123.464 -13.427 17629 1340 1 4 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.446 0.964 17629 1341 1 4 . 1 1 59 59 VAL C C 59 173.781 173.781 174.316 -0.535 17629 1342 1 4 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.751 -1.829 17629 1343 1 4 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.478 0.694 17629 1344 1 4 . 1 1 59 59 VAL H H 59 7.328 7.328 8.237 -0.909 17629 1345 1 4 . 1 1 60 60 SER HA H 60 4.711 4.711 4.449 0.262 17629 1346 1 4 . 1 1 60 60 SER C C 60 174.901 174.901 173.914 0.987 17629 1347 1 4 . 1 1 60 60 SER CA C 60 55.416 55.416 59.570 -4.154 17629 1348 1 4 . 1 1 60 60 SER CB C 60 64.846 64.846 63.886 0.960 17629 1349 1 4 . 1 1 61 61 TYR N N 61 126.709 126.709 116.273 10.436 17629 1350 1 4 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.672 -0.098 17629 1351 1 4 . 1 1 61 61 TYR C C 61 176.232 176.232 174.210 2.022 17629 1352 1 4 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.080 1.160 17629 1353 1 4 . 1 1 61 61 TYR CB C 61 37.986 37.986 39.116 -1.130 17629 1354 1 4 . 1 1 61 61 TYR H H 61 8.560 8.560 8.271 0.289 17629 1355 1 4 . 1 1 62 62 ILE N N 62 122.059 122.059 120.437 1.622 17629 1356 1 4 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.540 -0.297 17629 1357 1 4 . 1 1 62 62 ILE C C 62 175.812 175.812 175.560 0.252 17629 1358 1 4 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.297 0.333 17629 1359 1 4 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.328 -0.168 17629 1360 1 4 . 1 1 62 62 ILE H H 62 8.303 8.303 7.560 0.743 17629 1361 1 5 . 1 1 2 2 LYS N N 2 125.410 125.410 124.530 0.880 17629 1362 1 5 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.559 -0.441 17629 1363 1 5 . 1 1 2 2 LYS C C 2 176.439 176.439 176.325 0.114 17629 1364 1 5 . 1 1 2 2 LYS CA C 2 51.573 51.573 50.947 0.626 17629 1365 1 5 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.898 -0.698 17629 1366 1 5 . 1 1 2 2 LYS H H 2 8.079 8.079 7.854 0.225 17629 1367 1 5 . 1 1 3 3 PHE N N 3 123.092 123.092 124.095 -1.003 17629 1368 1 5 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.157 -0.737 17629 1369 1 5 . 1 1 3 3 PHE C C 3 175.856 175.856 174.723 1.133 17629 1370 1 5 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.376 1.290 17629 1371 1 5 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.936 -1.325 17629 1372 1 5 . 1 1 3 3 PHE H H 3 8.251 8.251 8.695 -0.444 17629 1373 1 5 . 1 1 4 4 ILE N N 4 125.149 125.149 118.196 6.953 17629 1374 1 5 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.521 -0.306 17629 1375 1 5 . 1 1 4 4 ILE C C 4 175.190 175.190 172.860 2.330 17629 1376 1 5 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.485 1.294 17629 1377 1 5 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.679 -2.147 17629 1378 1 5 . 1 1 4 4 ILE H H 4 7.775 7.775 8.904 -1.129 17629 1379 1 5 . 1 1 5 5 PRO N N 5 121.258 121.258 118.868 2.390 17629 1380 1 5 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.022 -1.263 17629 1381 1 5 . 1 1 5 5 PRO C C 5 174.455 174.455 173.490 0.965 17629 1382 1 5 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.494 3.846 17629 1383 1 5 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.719 -4.849 17629 1384 1 5 . 1 1 5 5 PRO H H 5 8.238 8.238 8.552 -0.314 17629 1385 1 5 . 1 1 6 6 SER N N 6 118.930 118.930 126.940 -8.010 17629 1386 1 5 . 1 1 6 6 SER HA H 6 4.439 4.439 4.740 -0.301 17629 1387 1 5 . 1 1 6 6 SER C C 6 174.756 174.756 176.156 -1.400 17629 1388 1 5 . 1 1 6 6 SER CA C 6 55.269 55.269 54.727 0.542 17629 1389 1 5 . 1 1 6 6 SER CB C 6 31.970 31.970 28.299 3.671 17629 1390 1 5 . 1 1 6 6 SER H H 6 9.042 9.042 8.686 0.356 17629 1391 1 5 . 1 1 7 7 ARG N N 7 124.908 124.908 125.259 -0.351 17629 1392 1 5 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.834 1.164 17629 1393 1 5 . 1 1 7 7 ARG C C 7 175.313 175.313 175.646 -0.333 17629 1394 1 5 . 1 1 7 7 ARG CA C 7 56.469 56.469 58.409 -1.940 17629 1395 1 5 . 1 1 7 7 ARG CB C 7 32.540 32.540 29.936 2.604 17629 1396 1 5 . 1 1 7 7 ARG H H 7 7.601 7.601 8.653 -1.052 17629 1397 1 5 . 1 1 8 8 ALA N N 8 126.210 126.210 116.105 10.105 17629 1398 1 5 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.253 0.737 17629 1399 1 5 . 1 1 8 8 ALA C C 8 173.314 173.314 175.522 -2.208 17629 1400 1 5 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.279 1.491 17629 1401 1 5 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.268 1.947 17629 1402 1 5 . 1 1 8 8 ALA H H 8 9.198 9.198 7.218 1.980 17629 1403 1 5 . 1 1 9 9 ALA N N 9 117.480 117.480 119.994 -2.514 17629 1404 1 5 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.537 -0.933 17629 1405 1 5 . 1 1 9 9 ALA C C 9 174.805 174.805 174.597 0.208 17629 1406 1 5 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.331 -4.506 17629 1407 1 5 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.214 2.943 17629 1408 1 5 . 1 1 9 9 ALA H H 9 8.571 8.571 8.239 0.332 17629 1409 1 5 . 1 1 10 10 PRO N N 10 127.491 127.491 125.886 1.605 17629 1410 1 5 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.892 -0.423 17629 1411 1 5 . 1 1 10 10 PRO C C 10 178.703 178.703 175.124 3.579 17629 1412 1 5 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.048 0.773 17629 1413 1 5 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.441 -3.244 17629 1414 1 5 . 1 1 10 10 PRO H H 10 9.208 9.208 8.668 0.540 17629 1415 1 5 . 1 1 11 11 LYS N N 11 127.224 127.224 125.512 1.712 17629 1416 1 5 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.416 0.131 17629 1417 1 5 . 1 1 11 11 LYS C C 11 175.084 175.084 173.799 1.285 17629 1418 1 5 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.641 5.704 17629 1419 1 5 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.701 -0.264 17629 1420 1 5 . 1 1 11 11 LYS H H 11 8.270 8.270 8.023 0.247 17629 1421 1 5 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.376 -0.621 17629 1422 1 5 . 1 1 12 12 PRO C C 12 173.503 173.503 174.025 -0.522 17629 1423 1 5 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.669 3.119 17629 1424 1 5 . 1 1 13 13 PRO N N 13 117.819 117.819 120.321 -2.502 17629 1425 1 5 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.449 -0.131 17629 1426 1 5 . 1 1 13 13 PRO C C 13 175.940 175.940 175.977 -0.037 17629 1427 1 5 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.536 1.033 17629 1428 1 5 . 1 1 13 13 PRO CB C 13 41.489 41.489 42.206 -0.717 17629 1429 1 5 . 1 1 13 13 PRO H H 13 8.361 8.361 8.719 -0.358 17629 1430 1 5 . 1 1 14 14 SER N N 14 122.300 122.300 119.395 2.905 17629 1431 1 5 . 1 1 14 14 SER HA H 14 4.361 4.361 4.652 -0.291 17629 1432 1 5 . 1 1 14 14 SER C C 14 172.522 172.522 175.028 -2.506 17629 1433 1 5 . 1 1 14 14 SER CA C 14 56.389 56.389 57.309 -0.920 17629 1434 1 5 . 1 1 14 14 SER CB C 14 42.864 42.864 40.761 2.103 17629 1435 1 5 . 1 1 14 14 SER H H 14 8.138 8.138 7.660 0.478 17629 1436 1 5 . 1 1 15 15 GLU N N 15 128.991 128.991 119.392 9.599 17629 1437 1 5 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.397 0.290 17629 1438 1 5 . 1 1 15 15 GLU C C 15 172.941 172.941 175.565 -2.624 17629 1439 1 5 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.483 -6.068 17629 1440 1 5 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.419 0.771 17629 1441 1 5 . 1 1 15 15 GLU H H 15 8.234 8.234 8.595 -0.361 17629 1442 1 5 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.337 -0.036 17629 1443 1 5 . 1 1 16 16 ALA C C 16 177.175 177.175 176.089 1.086 17629 1444 1 5 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.531 0.068 17629 1445 1 5 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.309 2.176 17629 1446 1 5 . 1 1 16 16 ALA H H 16 8.263 8.263 7.937 0.326 17629 1447 1 5 . 1 1 17 17 GLU N N 17 119.882 119.882 120.049 -0.167 17629 1448 1 5 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.594 -0.215 17629 1449 1 5 . 1 1 17 17 GLU C C 17 175.065 175.065 175.274 -0.209 17629 1450 1 5 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.326 0.255 17629 1451 1 5 . 1 1 17 17 GLU CB C 17 31.777 31.777 31.921 -0.144 17629 1452 1 5 . 1 1 17 17 GLU H H 17 8.952 8.952 7.562 1.390 17629 1453 1 5 . 1 1 18 18 ASN N N 18 114.565 114.565 119.803 -5.238 17629 1454 1 5 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.125 -0.255 17629 1455 1 5 . 1 1 18 18 ASN C C 18 175.256 175.256 174.538 0.718 17629 1456 1 5 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.736 0.214 17629 1457 1 5 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.212 2.234 17629 1458 1 5 . 1 1 18 18 ASN H H 18 7.177 7.177 8.930 -1.753 17629 1459 1 5 . 1 1 19 19 ASP N N 19 120.622 120.622 121.414 -0.792 17629 1460 1 5 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.702 -0.190 17629 1461 1 5 . 1 1 19 19 ASP C C 19 175.848 175.848 175.545 0.303 17629 1462 1 5 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.490 1.960 17629 1463 1 5 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.866 -1.207 17629 1464 1 5 . 1 1 19 19 ASP H H 19 8.753 8.753 8.485 0.268 17629 1465 1 5 . 1 1 20 20 ASN N N 20 115.197 115.197 117.637 -2.440 17629 1466 1 5 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.146 -0.381 17629 1467 1 5 . 1 1 20 20 ASN C C 20 174.017 174.017 173.704 0.313 17629 1468 1 5 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.403 -5.985 17629 1469 1 5 . 1 1 20 20 ASN H H 20 8.124 8.124 8.723 -0.599 17629 1470 1 5 . 1 1 21 21 GLU N N 21 119.591 119.591 124.057 -4.466 17629 1471 1 5 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.781 0.068 17629 1472 1 5 . 1 1 21 21 GLU C C 21 174.638 174.638 174.624 0.014 17629 1473 1 5 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.341 -0.796 17629 1474 1 5 . 1 1 21 21 GLU CB C 21 31.708 31.708 32.035 -0.327 17629 1475 1 5 . 1 1 21 21 GLU H H 21 7.453 7.453 8.765 -1.312 17629 1476 1 5 . 1 1 22 22 LEU N N 22 126.694 126.694 126.542 0.152 17629 1477 1 5 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.934 0.421 17629 1478 1 5 . 1 1 22 22 LEU C C 22 173.258 173.258 178.089 -4.831 17629 1479 1 5 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.446 -2.998 17629 1480 1 5 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.603 2.747 17629 1481 1 5 . 1 1 22 22 LEU H H 22 8.765 8.765 8.826 -0.061 17629 1482 1 5 . 1 1 23 23 ARG N N 23 123.640 123.640 127.888 -4.248 17629 1483 1 5 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.841 0.335 17629 1484 1 5 . 1 1 23 23 ARG C C 23 176.038 176.038 175.593 0.445 17629 1485 1 5 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.749 1.369 17629 1486 1 5 . 1 1 23 23 ARG H H 23 8.023 8.023 8.997 -0.974 17629 1487 1 5 . 1 1 24 24 LEU N N 24 122.047 122.047 122.444 -0.397 17629 1488 1 5 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.522 0.404 17629 1489 1 5 . 1 1 24 24 LEU C C 24 176.320 176.320 175.975 0.345 17629 1490 1 5 . 1 1 24 24 LEU CA C 24 53.589 53.589 54.838 -1.249 17629 1491 1 5 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.085 2.756 17629 1492 1 5 . 1 1 24 24 LEU H H 24 8.686 8.686 8.273 0.413 17629 1493 1 5 . 1 1 25 25 ALA N N 25 127.826 127.826 123.924 3.902 17629 1494 1 5 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.590 0.460 17629 1495 1 5 . 1 1 25 25 ALA C C 25 176.497 176.497 176.411 0.086 17629 1496 1 5 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.361 -0.625 17629 1497 1 5 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.617 1.150 17629 1498 1 5 . 1 1 25 25 ALA H H 25 8.747 8.747 8.247 0.500 17629 1499 1 5 . 1 1 26 26 GLU N N 26 121.396 121.396 117.209 4.187 17629 1500 1 5 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.930 -1.739 17629 1501 1 5 . 1 1 26 26 GLU C C 26 177.095 177.095 174.346 2.749 17629 1502 1 5 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.359 5.096 17629 1503 1 5 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.268 -3.828 17629 1504 1 5 . 1 1 26 26 GLU H H 26 8.756 8.756 8.695 0.061 17629 1505 1 5 . 1 1 27 27 GLY N N 27 115.237 115.237 108.906 6.331 17629 1506 1 5 . 1 1 27 27 GLY C C 27 174.571 174.571 174.773 -0.202 17629 1507 1 5 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.956 1.820 17629 1508 1 5 . 1 1 27 27 GLY H H 27 8.878 8.878 8.574 0.304 17629 1509 1 5 . 1 1 28 28 ASP N N 28 122.805 122.805 125.861 -3.056 17629 1510 1 5 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.620 -0.138 17629 1511 1 5 . 1 1 28 28 ASP C C 28 174.781 174.781 176.750 -1.969 17629 1512 1 5 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.905 2.588 17629 1513 1 5 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.925 3.809 17629 1514 1 5 . 1 1 28 28 ASP H H 28 8.655 8.655 8.827 -0.172 17629 1515 1 5 . 1 1 29 29 ILE N N 29 120.912 120.912 127.946 -7.034 17629 1516 1 5 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.160 0.749 17629 1517 1 5 . 1 1 29 29 ILE C C 29 176.392 176.392 175.492 0.900 17629 1518 1 5 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.217 -6.282 17629 1519 1 5 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.370 -1.760 17629 1520 1 5 . 1 1 29 29 ILE H H 29 8.484 8.484 8.513 -0.029 17629 1521 1 5 . 1 1 30 30 VAL N N 30 118.766 118.766 114.733 4.033 17629 1522 1 5 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.368 0.476 17629 1523 1 5 . 1 1 30 30 VAL C C 30 173.455 173.455 173.435 0.020 17629 1524 1 5 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.944 -2.809 17629 1525 1 5 . 1 1 30 30 VAL CB C 30 35.470 35.470 33.187 2.283 17629 1526 1 5 . 1 1 30 30 VAL H H 30 8.840 8.840 7.464 1.376 17629 1527 1 5 . 1 1 31 31 PHE N N 31 118.993 118.993 124.534 -5.541 17629 1528 1 5 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.569 0.397 17629 1529 1 5 . 1 1 31 31 PHE C C 31 175.600 175.600 174.600 1.000 17629 1530 1 5 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.117 -1.419 17629 1531 1 5 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.811 1.359 17629 1532 1 5 . 1 1 31 31 PHE H H 31 8.961 8.961 8.663 0.298 17629 1533 1 5 . 1 1 32 32 ILE N N 32 124.714 124.714 126.227 -1.513 17629 1534 1 5 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.470 -0.100 17629 1535 1 5 . 1 1 32 32 ILE C C 32 175.776 175.776 175.647 0.129 17629 1536 1 5 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.473 -1.924 17629 1537 1 5 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.645 -5.610 17629 1538 1 5 . 1 1 32 32 ILE H H 32 9.043 9.043 8.222 0.821 17629 1539 1 5 . 1 1 33 33 SER N N 33 124.251 124.251 115.563 8.688 17629 1540 1 5 . 1 1 33 33 SER HA H 33 4.630 4.630 4.125 0.505 17629 1541 1 5 . 1 1 33 33 SER C C 33 175.353 175.353 174.505 0.848 17629 1542 1 5 . 1 1 33 33 SER CA C 33 59.396 59.396 58.654 0.742 17629 1543 1 5 . 1 1 33 33 SER H H 33 9.128 9.128 8.081 1.047 17629 1544 1 5 . 1 1 34 34 TYR N N 34 114.956 114.956 115.351 -0.395 17629 1545 1 5 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.253 0.595 17629 1546 1 5 . 1 1 34 34 TYR C C 34 172.582 172.582 176.040 -3.458 17629 1547 1 5 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.216 -2.094 17629 1548 1 5 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.686 3.574 17629 1549 1 5 . 1 1 34 34 TYR H H 34 7.457 7.457 8.805 -1.348 17629 1550 1 5 . 1 1 35 35 LYS N N 35 122.237 122.237 113.729 8.508 17629 1551 1 5 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.724 0.875 17629 1552 1 5 . 1 1 35 35 LYS C C 35 175.174 175.174 175.063 0.111 17629 1553 1 5 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.279 -0.532 17629 1554 1 5 . 1 1 35 35 LYS H H 35 8.697 8.697 8.480 0.217 17629 1555 1 5 . 1 1 36 36 HIS N N 36 127.413 127.413 117.437 9.976 17629 1556 1 5 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.979 -0.327 17629 1557 1 5 . 1 1 36 36 HIS C C 36 175.918 175.918 173.862 2.056 17629 1558 1 5 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.547 3.787 17629 1559 1 5 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.994 0.788 17629 1560 1 5 . 1 1 36 36 HIS H H 36 8.122 8.122 7.688 0.434 17629 1561 1 5 . 1 1 37 37 GLY N N 37 105.500 105.500 108.692 -3.192 17629 1562 1 5 . 1 1 37 37 GLY C C 37 174.073 174.073 174.355 -0.282 17629 1563 1 5 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.009 -0.225 17629 1564 1 5 . 1 1 37 37 GLY H H 37 8.000 8.000 9.286 -1.286 17629 1565 1 5 . 1 1 38 38 GLN N N 38 114.228 114.228 123.522 -9.294 17629 1566 1 5 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.711 -0.620 17629 1567 1 5 . 1 1 38 38 GLN C C 38 175.546 175.546 174.843 0.703 17629 1568 1 5 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.978 0.960 17629 1569 1 5 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.788 -0.228 17629 1570 1 5 . 1 1 38 38 GLN H H 38 9.025 9.025 7.780 1.245 17629 1571 1 5 . 1 1 39 39 GLY N N 39 104.000 104.000 115.934 -11.934 17629 1572 1 5 . 1 1 39 39 GLY C C 39 174.892 174.892 172.501 2.391 17629 1573 1 5 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.871 2.739 17629 1574 1 5 . 1 1 39 39 GLY H H 39 8.664 8.664 8.934 -0.270 17629 1575 1 5 . 1 1 40 40 TRP N N 40 120.355 120.355 119.879 0.476 17629 1576 1 5 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.459 -0.208 17629 1577 1 5 . 1 1 40 40 TRP C C 40 175.702 175.702 176.084 -0.382 17629 1578 1 5 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.737 1.861 17629 1579 1 5 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.085 0.273 17629 1580 1 5 . 1 1 40 40 TRP H H 40 7.938 7.938 8.259 -0.321 17629 1581 1 5 . 1 1 41 41 LEU N N 41 121.736 121.736 121.740 -0.004 17629 1582 1 5 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.147 0.820 17629 1583 1 5 . 1 1 41 41 LEU C C 41 174.893 174.893 177.708 -2.815 17629 1584 1 5 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.529 -1.590 17629 1585 1 5 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.434 1.222 17629 1586 1 5 . 1 1 41 41 LEU H H 41 9.626 9.626 8.493 1.133 17629 1587 1 5 . 1 1 42 42 VAL N N 42 120.248 120.248 118.186 2.062 17629 1588 1 5 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.833 0.275 17629 1589 1 5 . 1 1 42 42 VAL C C 42 173.905 173.905 177.453 -3.548 17629 1590 1 5 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.985 -1.686 17629 1591 1 5 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.511 0.251 17629 1592 1 5 . 1 1 42 42 VAL H H 42 8.593 8.593 8.564 0.029 17629 1593 1 5 . 1 1 43 43 ALA N N 43 130.238 130.238 120.551 9.687 17629 1594 1 5 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.146 1.343 17629 1595 1 5 . 1 1 43 43 ALA C C 43 174.736 174.736 178.523 -3.787 17629 1596 1 5 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.556 -3.857 17629 1597 1 5 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.299 5.827 17629 1598 1 5 . 1 1 43 43 ALA H H 43 9.080 9.080 7.923 1.157 17629 1599 1 5 . 1 1 44 44 GLU N N 44 118.066 118.066 119.916 -1.850 17629 1600 1 5 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.119 1.251 17629 1601 1 5 . 1 1 44 44 GLU C C 44 176.343 176.343 175.960 0.383 17629 1602 1 5 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.162 -3.248 17629 1603 1 5 . 1 1 44 44 GLU H H 44 9.055 9.055 7.816 1.239 17629 1604 1 5 . 1 1 45 45 ASN N N 45 118.721 118.721 117.468 1.253 17629 1605 1 5 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.812 0.008 17629 1606 1 5 . 1 1 45 45 ASN C C 45 175.581 175.581 175.015 0.566 17629 1607 1 5 . 1 1 45 45 ASN CA C 45 52.001 52.001 52.666 -0.665 17629 1608 1 5 . 1 1 45 45 ASN CB C 45 37.767 37.767 38.933 -1.166 17629 1609 1 5 . 1 1 45 45 ASN H H 45 8.342 8.342 8.189 0.153 17629 1610 1 5 . 1 1 46 46 GLU N N 46 120.491 120.491 121.172 -0.681 17629 1611 1 5 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.619 -0.669 17629 1612 1 5 . 1 1 46 46 GLU C C 46 177.658 177.658 174.694 2.964 17629 1613 1 5 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.835 4.303 17629 1614 1 5 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.799 -2.291 17629 1615 1 5 . 1 1 46 46 GLU H H 46 8.521 8.521 7.796 0.725 17629 1616 1 5 . 1 1 47 47 SER N N 47 109.172 109.172 120.497 -11.325 17629 1617 1 5 . 1 1 47 47 SER HA H 47 4.376 4.376 5.121 -0.745 17629 1618 1 5 . 1 1 47 47 SER C C 47 175.760 175.760 173.634 2.126 17629 1619 1 5 . 1 1 47 47 SER CA C 47 58.349 58.349 57.039 1.310 17629 1620 1 5 . 1 1 47 47 SER CB C 47 63.906 63.906 66.615 -2.709 17629 1621 1 5 . 1 1 47 47 SER H H 47 8.029 8.029 8.573 -0.544 17629 1622 1 5 . 1 1 48 48 GLY N N 48 112.365 112.365 110.963 1.402 17629 1623 1 5 . 1 1 48 48 GLY C C 48 174.289 174.289 171.812 2.477 17629 1624 1 5 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.173 0.773 17629 1625 1 5 . 1 1 48 48 GLY H H 48 8.002 8.002 9.064 -1.062 17629 1626 1 5 . 1 1 49 49 SER N N 49 116.280 116.280 115.340 0.940 17629 1627 1 5 . 1 1 49 49 SER HA H 49 4.387 4.387 4.984 -0.597 17629 1628 1 5 . 1 1 49 49 SER C C 49 174.474 174.474 174.527 -0.053 17629 1629 1 5 . 1 1 49 49 SER CA C 49 58.778 58.778 57.716 1.062 17629 1630 1 5 . 1 1 49 49 SER CB C 49 64.138 64.138 64.455 -0.317 17629 1631 1 5 . 1 1 49 49 SER H H 49 8.529 8.529 8.235 0.294 17629 1632 1 5 . 1 1 50 50 LYS N N 50 122.336 122.336 116.115 6.221 17629 1633 1 5 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.256 -0.579 17629 1634 1 5 . 1 1 50 50 LYS C C 50 173.788 173.788 174.181 -0.393 17629 1635 1 5 . 1 1 50 50 LYS CA C 50 55.921 55.921 51.950 3.971 17629 1636 1 5 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.373 1.289 17629 1637 1 5 . 1 1 50 50 LYS H H 50 7.879 7.879 9.209 -1.330 17629 1638 1 5 . 1 1 51 51 THR HA H 51 5.465 5.465 4.004 1.461 17629 1639 1 5 . 1 1 51 51 THR C C 51 173.478 173.478 173.740 -0.262 17629 1640 1 5 . 1 1 51 51 THR CA C 51 59.703 59.703 61.362 -1.659 17629 1641 1 5 . 1 1 51 51 THR CB C 51 71.505 71.505 69.153 2.352 17629 1642 1 5 . 1 1 52 52 GLY N N 52 110.609 110.609 111.436 -0.827 17629 1643 1 5 . 1 1 52 52 GLY C C 52 170.386 170.386 176.147 -5.761 17629 1644 1 5 . 1 1 52 52 GLY CA C 52 45.377 45.377 47.023 -1.646 17629 1645 1 5 . 1 1 52 52 GLY H H 52 9.039 9.039 8.151 0.888 17629 1646 1 5 . 1 1 53 53 LEU N N 53 120.239 120.239 118.417 1.822 17629 1647 1 5 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.329 0.870 17629 1648 1 5 . 1 1 53 53 LEU C C 53 177.929 177.929 176.813 1.116 17629 1649 1 5 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.307 -1.689 17629 1650 1 5 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.737 2.307 17629 1651 1 5 . 1 1 53 53 LEU H H 53 9.169 9.169 8.469 0.700 17629 1652 1 5 . 1 1 54 54 VAL N N 54 111.925 111.925 115.889 -3.964 17629 1653 1 5 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.438 0.402 17629 1654 1 5 . 1 1 54 54 VAL C C 54 172.319 172.319 174.687 -2.368 17629 1655 1 5 . 1 1 54 54 VAL CA C 54 57.190 57.190 61.241 -4.051 17629 1656 1 5 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.786 0.416 17629 1657 1 5 . 1 1 54 54 VAL H H 54 9.191 9.191 7.621 1.570 17629 1658 1 5 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.340 -1.227 17629 1659 1 5 . 1 1 55 55 PRO C C 55 178.107 178.107 176.328 1.779 17629 1660 1 5 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.416 0.620 17629 1661 1 5 . 1 1 55 55 PRO CB C 55 31.430 31.430 34.942 -3.512 17629 1662 1 5 . 1 1 56 56 GLU N N 56 126.923 126.923 120.418 6.505 17629 1663 1 5 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.704 -0.948 17629 1664 1 5 . 1 1 56 56 GLU C C 56 177.586 177.586 176.227 1.359 17629 1665 1 5 . 1 1 56 56 GLU CA C 56 59.052 59.052 55.023 4.029 17629 1666 1 5 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.567 -1.354 17629 1667 1 5 . 1 1 56 56 GLU H H 56 8.503 8.503 8.618 -0.115 17629 1668 1 5 . 1 1 57 57 GLU N N 57 113.138 113.138 127.773 -14.635 17629 1669 1 5 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.281 0.054 17629 1670 1 5 . 1 1 57 57 GLU C C 57 175.950 175.950 177.110 -1.160 17629 1671 1 5 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.129 -0.495 17629 1672 1 5 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.654 0.161 17629 1673 1 5 . 1 1 57 57 GLU H H 57 8.743 8.743 8.974 -0.231 17629 1674 1 5 . 1 1 58 58 PHE N N 58 116.994 116.994 124.474 -7.480 17629 1675 1 5 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.635 0.152 17629 1676 1 5 . 1 1 58 58 PHE C C 58 174.773 174.773 174.697 0.076 17629 1677 1 5 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.197 -1.526 17629 1678 1 5 . 1 1 58 58 PHE H H 58 8.002 8.002 8.012 -0.010 17629 1679 1 5 . 1 1 59 59 VAL N N 59 110.037 110.037 122.704 -12.667 17629 1680 1 5 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.438 0.972 17629 1681 1 5 . 1 1 59 59 VAL C C 59 173.781 173.781 174.282 -0.501 17629 1682 1 5 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.947 -2.025 17629 1683 1 5 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.331 0.841 17629 1684 1 5 . 1 1 59 59 VAL H H 59 7.328 7.328 8.289 -0.961 17629 1685 1 5 . 1 1 60 60 SER HA H 60 4.711 4.711 4.449 0.262 17629 1686 1 5 . 1 1 60 60 SER C C 60 174.901 174.901 174.077 0.824 17629 1687 1 5 . 1 1 60 60 SER CA C 60 55.416 55.416 59.680 -4.264 17629 1688 1 5 . 1 1 60 60 SER CB C 60 64.846 64.846 63.877 0.969 17629 1689 1 5 . 1 1 61 61 TYR N N 61 126.709 126.709 116.278 10.431 17629 1690 1 5 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.677 -0.103 17629 1691 1 5 . 1 1 61 61 TYR C C 61 176.232 176.232 174.129 2.103 17629 1692 1 5 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.134 1.106 17629 1693 1 5 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.745 -0.759 17629 1694 1 5 . 1 1 61 61 TYR H H 61 8.560 8.560 8.169 0.391 17629 1695 1 5 . 1 1 62 62 ILE N N 62 122.059 122.059 119.403 2.656 17629 1696 1 5 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.579 -0.336 17629 1697 1 5 . 1 1 62 62 ILE C C 62 175.812 175.812 175.370 0.442 17629 1698 1 5 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.327 0.303 17629 1699 1 5 . 1 1 62 62 ILE CB C 62 39.160 39.160 40.287 -1.127 17629 1700 1 5 . 1 1 62 62 ILE H H 62 8.303 8.303 7.568 0.735 17629 1701 1 6 . 1 1 2 2 LYS N N 2 125.410 125.410 123.780 1.630 17629 1702 1 6 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.577 -0.459 17629 1703 1 6 . 1 1 2 2 LYS C C 2 176.439 176.439 176.120 0.319 17629 1704 1 6 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.062 0.511 17629 1705 1 6 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.872 -0.672 17629 1706 1 6 . 1 1 2 2 LYS H H 2 8.079 8.079 7.776 0.303 17629 1707 1 6 . 1 1 3 3 PHE N N 3 123.092 123.092 125.068 -1.976 17629 1708 1 6 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.089 -0.668 17629 1709 1 6 . 1 1 3 3 PHE C C 3 175.856 175.856 174.883 0.973 17629 1710 1 6 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.929 0.736 17629 1711 1 6 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.400 -0.789 17629 1712 1 6 . 1 1 3 3 PHE H H 3 8.251 8.251 8.804 -0.553 17629 1713 1 6 . 1 1 4 4 ILE N N 4 125.149 125.149 118.293 6.856 17629 1714 1 6 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.587 -0.372 17629 1715 1 6 . 1 1 4 4 ILE C C 4 175.190 175.190 172.870 2.320 17629 1716 1 6 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.605 1.174 17629 1717 1 6 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.611 -2.079 17629 1718 1 6 . 1 1 4 4 ILE H H 4 7.775 7.775 8.841 -1.066 17629 1719 1 6 . 1 1 5 5 PRO N N 5 121.258 121.258 118.736 2.522 17629 1720 1 6 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.041 -1.282 17629 1721 1 6 . 1 1 5 5 PRO C C 5 174.455 174.455 173.447 1.008 17629 1722 1 6 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.364 3.976 17629 1723 1 6 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.876 -5.005 17629 1724 1 6 . 1 1 5 5 PRO H H 5 8.238 8.238 8.703 -0.465 17629 1725 1 6 . 1 1 6 6 SER N N 6 118.930 118.930 126.760 -7.830 17629 1726 1 6 . 1 1 6 6 SER HA H 6 4.439 4.439 4.767 -0.328 17629 1727 1 6 . 1 1 6 6 SER C C 6 174.756 174.756 176.090 -1.334 17629 1728 1 6 . 1 1 6 6 SER CA C 6 55.269 55.269 54.649 0.620 17629 1729 1 6 . 1 1 6 6 SER CB C 6 31.970 31.970 28.412 3.558 17629 1730 1 6 . 1 1 6 6 SER H H 6 9.042 9.042 8.649 0.393 17629 1731 1 6 . 1 1 7 7 ARG N N 7 124.908 124.908 125.381 -0.473 17629 1732 1 6 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.868 1.130 17629 1733 1 6 . 1 1 7 7 ARG C C 7 175.313 175.313 175.681 -0.368 17629 1734 1 6 . 1 1 7 7 ARG CA C 7 56.469 56.469 58.339 -1.870 17629 1735 1 6 . 1 1 7 7 ARG CB C 7 32.540 32.540 29.999 2.541 17629 1736 1 6 . 1 1 7 7 ARG H H 7 7.601 7.601 8.661 -1.060 17629 1737 1 6 . 1 1 8 8 ALA N N 8 126.210 126.210 117.227 8.983 17629 1738 1 6 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.253 0.737 17629 1739 1 6 . 1 1 8 8 ALA C C 8 173.314 173.314 175.811 -2.497 17629 1740 1 6 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.208 1.562 17629 1741 1 6 . 1 1 8 8 ALA CB C 8 23.215 23.215 20.968 2.247 17629 1742 1 6 . 1 1 8 8 ALA H H 8 9.198 9.198 7.251 1.947 17629 1743 1 6 . 1 1 9 9 ALA N N 9 117.480 117.480 119.412 -1.932 17629 1744 1 6 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.544 -0.940 17629 1745 1 6 . 1 1 9 9 ALA C C 9 174.805 174.805 174.674 0.131 17629 1746 1 6 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.480 -4.655 17629 1747 1 6 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.030 3.127 17629 1748 1 6 . 1 1 9 9 ALA H H 9 8.571 8.571 8.203 0.368 17629 1749 1 6 . 1 1 10 10 PRO N N 10 127.491 127.491 126.364 1.127 17629 1750 1 6 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.921 -0.452 17629 1751 1 6 . 1 1 10 10 PRO C C 10 178.703 178.703 175.320 3.383 17629 1752 1 6 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.141 0.680 17629 1753 1 6 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.571 -3.374 17629 1754 1 6 . 1 1 10 10 PRO H H 10 9.208 9.208 8.748 0.460 17629 1755 1 6 . 1 1 11 11 LYS N N 11 127.224 127.224 125.447 1.777 17629 1756 1 6 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.462 0.085 17629 1757 1 6 . 1 1 11 11 LYS C C 11 175.084 175.084 173.715 1.369 17629 1758 1 6 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.582 5.763 17629 1759 1 6 . 1 1 11 11 LYS CB C 11 43.437 43.437 44.369 -0.932 17629 1760 1 6 . 1 1 11 11 LYS H H 11 8.270 8.270 7.800 0.470 17629 1761 1 6 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.510 -0.755 17629 1762 1 6 . 1 1 12 12 PRO C C 12 173.503 173.503 174.636 -1.133 17629 1763 1 6 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.309 3.478 17629 1764 1 6 . 1 1 13 13 PRO N N 13 117.819 117.819 122.205 -4.386 17629 1765 1 6 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.318 -0.000 17629 1766 1 6 . 1 1 13 13 PRO C C 13 175.940 175.940 176.134 -0.194 17629 1767 1 6 . 1 1 13 13 PRO CA C 13 54.569 54.569 54.409 0.160 17629 1768 1 6 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.382 0.107 17629 1769 1 6 . 1 1 13 13 PRO H H 13 8.361 8.361 8.702 -0.341 17629 1770 1 6 . 1 1 14 14 SER N N 14 122.300 122.300 118.615 3.685 17629 1771 1 6 . 1 1 14 14 SER HA H 14 4.361 4.361 4.612 -0.252 17629 1772 1 6 . 1 1 14 14 SER C C 14 172.522 172.522 175.201 -2.679 17629 1773 1 6 . 1 1 14 14 SER CA C 14 56.389 56.389 57.176 -0.787 17629 1774 1 6 . 1 1 14 14 SER CB C 14 42.864 42.864 40.361 2.503 17629 1775 1 6 . 1 1 14 14 SER H H 14 8.138 8.138 7.695 0.443 17629 1776 1 6 . 1 1 15 15 GLU N N 15 128.991 128.991 119.281 9.710 17629 1777 1 6 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.389 0.298 17629 1778 1 6 . 1 1 15 15 GLU C C 15 172.941 172.941 175.555 -2.614 17629 1779 1 6 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.437 -6.021 17629 1780 1 6 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.286 0.904 17629 1781 1 6 . 1 1 15 15 GLU H H 15 8.234 8.234 8.575 -0.341 17629 1782 1 6 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.329 -0.028 17629 1783 1 6 . 1 1 16 16 ALA C C 16 177.175 177.175 176.010 1.165 17629 1784 1 6 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.402 0.197 17629 1785 1 6 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.321 2.164 17629 1786 1 6 . 1 1 16 16 ALA H H 16 8.263 8.263 7.891 0.372 17629 1787 1 6 . 1 1 17 17 GLU N N 17 119.882 119.882 119.986 -0.104 17629 1788 1 6 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.705 -0.326 17629 1789 1 6 . 1 1 17 17 GLU C C 17 175.065 175.065 175.208 -0.143 17629 1790 1 6 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.265 0.316 17629 1791 1 6 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.237 -0.460 17629 1792 1 6 . 1 1 17 17 GLU H H 17 8.952 8.952 7.596 1.356 17629 1793 1 6 . 1 1 18 18 ASN N N 18 114.565 114.565 119.525 -4.960 17629 1794 1 6 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.125 -0.255 17629 1795 1 6 . 1 1 18 18 ASN C C 18 175.256 175.256 174.515 0.741 17629 1796 1 6 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.596 0.354 17629 1797 1 6 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.349 2.097 17629 1798 1 6 . 1 1 18 18 ASN H H 18 7.177 7.177 8.993 -1.816 17629 1799 1 6 . 1 1 19 19 ASP N N 19 120.622 120.622 121.626 -1.004 17629 1800 1 6 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.855 -0.343 17629 1801 1 6 . 1 1 19 19 ASP C C 19 175.848 175.848 175.491 0.357 17629 1802 1 6 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.191 2.259 17629 1803 1 6 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.882 -1.223 17629 1804 1 6 . 1 1 19 19 ASP H H 19 8.753 8.753 8.470 0.283 17629 1805 1 6 . 1 1 20 20 ASN N N 20 115.197 115.197 118.065 -2.868 17629 1806 1 6 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.187 -0.422 17629 1807 1 6 . 1 1 20 20 ASN C C 20 174.017 174.017 174.077 -0.060 17629 1808 1 6 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.442 -6.024 17629 1809 1 6 . 1 1 20 20 ASN H H 20 8.124 8.124 8.931 -0.807 17629 1810 1 6 . 1 1 21 21 GLU N N 21 119.591 119.591 124.118 -4.527 17629 1811 1 6 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.775 0.074 17629 1812 1 6 . 1 1 21 21 GLU C C 21 174.638 174.638 174.645 -0.007 17629 1813 1 6 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.411 -0.866 17629 1814 1 6 . 1 1 21 21 GLU CB C 21 31.708 31.708 32.039 -0.332 17629 1815 1 6 . 1 1 21 21 GLU H H 21 7.453 7.453 8.776 -1.323 17629 1816 1 6 . 1 1 22 22 LEU N N 22 126.694 126.694 126.667 0.027 17629 1817 1 6 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.922 0.433 17629 1818 1 6 . 1 1 22 22 LEU C C 22 173.258 173.258 178.064 -4.806 17629 1819 1 6 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.464 -3.016 17629 1820 1 6 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.561 2.789 17629 1821 1 6 . 1 1 22 22 LEU H H 22 8.765 8.765 8.836 -0.071 17629 1822 1 6 . 1 1 23 23 ARG N N 23 123.640 123.640 127.957 -4.317 17629 1823 1 6 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.843 0.333 17629 1824 1 6 . 1 1 23 23 ARG C C 23 176.038 176.038 175.715 0.323 17629 1825 1 6 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.729 1.390 17629 1826 1 6 . 1 1 23 23 ARG H H 23 8.023 8.023 8.988 -0.965 17629 1827 1 6 . 1 1 24 24 LEU N N 24 122.047 122.047 122.692 -0.645 17629 1828 1 6 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.433 0.493 17629 1829 1 6 . 1 1 24 24 LEU C C 24 176.320 176.320 176.102 0.218 17629 1830 1 6 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.142 -1.553 17629 1831 1 6 . 1 1 24 24 LEU CB C 24 45.841 45.841 42.952 2.889 17629 1832 1 6 . 1 1 24 24 LEU H H 24 8.686 8.686 8.136 0.550 17629 1833 1 6 . 1 1 25 25 ALA N N 25 127.826 127.826 123.493 4.333 17629 1834 1 6 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.678 0.372 17629 1835 1 6 . 1 1 25 25 ALA C C 25 176.497 176.497 176.668 -0.171 17629 1836 1 6 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.742 -1.006 17629 1837 1 6 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.580 1.187 17629 1838 1 6 . 1 1 25 25 ALA H H 25 8.747 8.747 8.259 0.488 17629 1839 1 6 . 1 1 26 26 GLU N N 26 121.396 121.396 118.480 2.916 17629 1840 1 6 . 1 1 26 26 GLU HA H 26 3.191 3.191 5.010 -1.819 17629 1841 1 6 . 1 1 26 26 GLU C C 26 177.095 177.095 174.075 3.020 17629 1842 1 6 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.298 5.157 17629 1843 1 6 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.304 -3.864 17629 1844 1 6 . 1 1 26 26 GLU H H 26 8.756 8.756 8.836 -0.080 17629 1845 1 6 . 1 1 27 27 GLY N N 27 115.237 115.237 108.889 6.348 17629 1846 1 6 . 1 1 27 27 GLY C C 27 174.571 174.571 174.849 -0.278 17629 1847 1 6 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.944 1.832 17629 1848 1 6 . 1 1 27 27 GLY H H 27 8.878 8.878 8.637 0.241 17629 1849 1 6 . 1 1 28 28 ASP N N 28 122.805 122.805 125.585 -2.780 17629 1850 1 6 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.637 -0.155 17629 1851 1 6 . 1 1 28 28 ASP C C 28 174.781 174.781 176.806 -2.025 17629 1852 1 6 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.724 2.769 17629 1853 1 6 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.802 3.932 17629 1854 1 6 . 1 1 28 28 ASP H H 28 8.655 8.655 8.889 -0.234 17629 1855 1 6 . 1 1 29 29 ILE N N 29 120.912 120.912 128.992 -8.080 17629 1856 1 6 . 1 1 29 29 ILE HA H 29 4.909 4.909 3.993 0.916 17629 1857 1 6 . 1 1 29 29 ILE C C 29 176.392 176.392 175.034 1.358 17629 1858 1 6 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.802 -6.867 17629 1859 1 6 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.063 -1.453 17629 1860 1 6 . 1 1 29 29 ILE H H 29 8.484 8.484 8.711 -0.227 17629 1861 1 6 . 1 1 30 30 VAL N N 30 118.766 118.766 113.690 5.076 17629 1862 1 6 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.375 0.469 17629 1863 1 6 . 1 1 30 30 VAL C C 30 173.455 173.455 173.379 0.076 17629 1864 1 6 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.794 -2.659 17629 1865 1 6 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.936 2.534 17629 1866 1 6 . 1 1 30 30 VAL H H 30 8.840 8.840 7.453 1.387 17629 1867 1 6 . 1 1 31 31 PHE N N 31 118.993 118.993 123.791 -4.798 17629 1868 1 6 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.624 0.342 17629 1869 1 6 . 1 1 31 31 PHE C C 31 175.600 175.600 174.553 1.047 17629 1870 1 6 . 1 1 31 31 PHE CA C 31 56.697 56.697 57.994 -1.297 17629 1871 1 6 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.961 1.209 17629 1872 1 6 . 1 1 31 31 PHE H H 31 8.961 8.961 8.858 0.103 17629 1873 1 6 . 1 1 32 32 ILE N N 32 124.714 124.714 126.337 -1.623 17629 1874 1 6 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.482 -0.112 17629 1875 1 6 . 1 1 32 32 ILE C C 32 175.776 175.776 175.675 0.101 17629 1876 1 6 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.425 -1.876 17629 1877 1 6 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.598 -5.563 17629 1878 1 6 . 1 1 32 32 ILE H H 32 9.043 9.043 8.241 0.802 17629 1879 1 6 . 1 1 33 33 SER N N 33 124.251 124.251 115.455 8.796 17629 1880 1 6 . 1 1 33 33 SER HA H 33 4.630 4.630 4.124 0.506 17629 1881 1 6 . 1 1 33 33 SER C C 33 175.353 175.353 174.494 0.859 17629 1882 1 6 . 1 1 33 33 SER CA C 33 59.396 59.396 58.593 0.803 17629 1883 1 6 . 1 1 33 33 SER H H 33 9.128 9.128 8.089 1.039 17629 1884 1 6 . 1 1 34 34 TYR N N 34 114.956 114.956 116.786 -1.830 17629 1885 1 6 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.273 0.575 17629 1886 1 6 . 1 1 34 34 TYR C C 34 172.582 172.582 175.909 -3.327 17629 1887 1 6 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.110 -1.988 17629 1888 1 6 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.522 3.738 17629 1889 1 6 . 1 1 34 34 TYR H H 34 7.457 7.457 8.725 -1.268 17629 1890 1 6 . 1 1 35 35 LYS N N 35 122.237 122.237 115.165 7.072 17629 1891 1 6 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.637 0.962 17629 1892 1 6 . 1 1 35 35 LYS C C 35 175.174 175.174 174.641 0.533 17629 1893 1 6 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.236 -0.488 17629 1894 1 6 . 1 1 35 35 LYS H H 35 8.697 8.697 8.532 0.165 17629 1895 1 6 . 1 1 36 36 HIS N N 36 127.413 127.413 117.462 9.951 17629 1896 1 6 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.829 -0.177 17629 1897 1 6 . 1 1 36 36 HIS C C 36 175.918 175.918 173.843 2.075 17629 1898 1 6 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.649 3.685 17629 1899 1 6 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.894 0.888 17629 1900 1 6 . 1 1 36 36 HIS H H 36 8.122 8.122 7.687 0.435 17629 1901 1 6 . 1 1 37 37 GLY N N 37 105.500 105.500 108.437 -2.937 17629 1902 1 6 . 1 1 37 37 GLY C C 37 174.073 174.073 174.058 0.015 17629 1903 1 6 . 1 1 37 37 GLY CA C 37 43.784 43.784 43.993 -0.209 17629 1904 1 6 . 1 1 37 37 GLY H H 37 8.000 8.000 9.307 -1.307 17629 1905 1 6 . 1 1 38 38 GLN N N 38 114.228 114.228 122.615 -8.387 17629 1906 1 6 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.838 -0.747 17629 1907 1 6 . 1 1 38 38 GLN C C 38 175.546 175.546 174.796 0.750 17629 1908 1 6 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.698 1.240 17629 1909 1 6 . 1 1 38 38 GLN CB C 38 27.560 27.560 28.093 -0.533 17629 1910 1 6 . 1 1 38 38 GLN H H 38 9.025 9.025 7.804 1.221 17629 1911 1 6 . 1 1 39 39 GLY N N 39 104.000 104.000 115.713 -11.713 17629 1912 1 6 . 1 1 39 39 GLY C C 39 174.892 174.892 172.412 2.480 17629 1913 1 6 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.934 2.676 17629 1914 1 6 . 1 1 39 39 GLY H H 39 8.664 8.664 8.979 -0.315 17629 1915 1 6 . 1 1 40 40 TRP N N 40 120.355 120.355 119.783 0.572 17629 1916 1 6 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.523 -0.272 17629 1917 1 6 . 1 1 40 40 TRP C C 40 175.702 175.702 176.039 -0.337 17629 1918 1 6 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.746 1.853 17629 1919 1 6 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.280 0.078 17629 1920 1 6 . 1 1 40 40 TRP H H 40 7.938 7.938 8.239 -0.301 17629 1921 1 6 . 1 1 41 41 LEU N N 41 121.736 121.736 122.126 -0.390 17629 1922 1 6 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.113 0.854 17629 1923 1 6 . 1 1 41 41 LEU C C 41 174.893 174.893 177.593 -2.700 17629 1924 1 6 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.754 -1.815 17629 1925 1 6 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.297 1.359 17629 1926 1 6 . 1 1 41 41 LEU H H 41 9.626 9.626 8.578 1.048 17629 1927 1 6 . 1 1 42 42 VAL N N 42 120.248 120.248 118.495 1.753 17629 1928 1 6 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.796 0.312 17629 1929 1 6 . 1 1 42 42 VAL C C 42 173.905 173.905 177.457 -3.552 17629 1930 1 6 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.533 -1.234 17629 1931 1 6 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.782 -0.020 17629 1932 1 6 . 1 1 42 42 VAL H H 42 8.593 8.593 8.523 0.070 17629 1933 1 6 . 1 1 43 43 ALA N N 43 130.238 130.238 120.535 9.703 17629 1934 1 6 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.130 1.359 17629 1935 1 6 . 1 1 43 43 ALA C C 43 174.736 174.736 178.489 -3.753 17629 1936 1 6 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.353 -3.655 17629 1937 1 6 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.259 5.867 17629 1938 1 6 . 1 1 43 43 ALA H H 43 9.080 9.080 7.921 1.159 17629 1939 1 6 . 1 1 44 44 GLU N N 44 118.066 118.066 120.001 -1.935 17629 1940 1 6 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.166 1.204 17629 1941 1 6 . 1 1 44 44 GLU C C 44 176.343 176.343 176.217 0.126 17629 1942 1 6 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.107 -3.193 17629 1943 1 6 . 1 1 44 44 GLU H H 44 9.055 9.055 7.880 1.175 17629 1944 1 6 . 1 1 45 45 ASN N N 45 118.721 118.721 117.101 1.620 17629 1945 1 6 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.785 0.035 17629 1946 1 6 . 1 1 45 45 ASN C C 45 175.581 175.581 175.045 0.536 17629 1947 1 6 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.736 -1.736 17629 1948 1 6 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.487 -1.720 17629 1949 1 6 . 1 1 45 45 ASN H H 45 8.342 8.342 8.235 0.107 17629 1950 1 6 . 1 1 46 46 GLU N N 46 120.491 120.491 122.033 -1.542 17629 1951 1 6 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.580 -0.630 17629 1952 1 6 . 1 1 46 46 GLU C C 46 177.658 177.658 174.646 3.012 17629 1953 1 6 . 1 1 46 46 GLU CA C 46 60.138 60.138 56.039 4.099 17629 1954 1 6 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.007 -1.499 17629 1955 1 6 . 1 1 46 46 GLU H H 46 8.521 8.521 7.845 0.676 17629 1956 1 6 . 1 1 47 47 SER N N 47 109.172 109.172 122.304 -13.132 17629 1957 1 6 . 1 1 47 47 SER HA H 47 4.376 4.376 5.201 -0.825 17629 1958 1 6 . 1 1 47 47 SER C C 47 175.760 175.760 173.933 1.827 17629 1959 1 6 . 1 1 47 47 SER CA C 47 58.349 58.349 57.153 1.196 17629 1960 1 6 . 1 1 47 47 SER CB C 47 63.906 63.906 66.699 -2.793 17629 1961 1 6 . 1 1 47 47 SER H H 47 8.029 8.029 8.612 -0.583 17629 1962 1 6 . 1 1 48 48 GLY N N 48 112.365 112.365 111.447 0.918 17629 1963 1 6 . 1 1 48 48 GLY C C 48 174.289 174.289 171.884 2.405 17629 1964 1 6 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.141 0.805 17629 1965 1 6 . 1 1 48 48 GLY H H 48 8.002 8.002 9.060 -1.058 17629 1966 1 6 . 1 1 49 49 SER N N 49 116.280 116.280 115.419 0.861 17629 1967 1 6 . 1 1 49 49 SER HA H 49 4.387 4.387 5.096 -0.709 17629 1968 1 6 . 1 1 49 49 SER C C 49 174.474 174.474 174.531 -0.057 17629 1969 1 6 . 1 1 49 49 SER CA C 49 58.778 58.778 57.657 1.121 17629 1970 1 6 . 1 1 49 49 SER CB C 49 64.138 64.138 64.614 -0.476 17629 1971 1 6 . 1 1 49 49 SER H H 49 8.529 8.529 8.156 0.373 17629 1972 1 6 . 1 1 50 50 LYS N N 50 122.336 122.336 116.590 5.746 17629 1973 1 6 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.254 -0.577 17629 1974 1 6 . 1 1 50 50 LYS C C 50 173.788 173.788 173.980 -0.192 17629 1975 1 6 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.075 3.846 17629 1976 1 6 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.502 1.160 17629 1977 1 6 . 1 1 50 50 LYS H H 50 7.879 7.879 9.403 -1.524 17629 1978 1 6 . 1 1 51 51 THR HA H 51 5.465 5.465 4.076 1.389 17629 1979 1 6 . 1 1 51 51 THR C C 51 173.478 173.478 173.655 -0.177 17629 1980 1 6 . 1 1 51 51 THR CA C 51 59.703 59.703 61.403 -1.700 17629 1981 1 6 . 1 1 51 51 THR CB C 51 71.505 71.505 69.222 2.283 17629 1982 1 6 . 1 1 52 52 GLY N N 52 110.609 110.609 110.352 0.257 17629 1983 1 6 . 1 1 52 52 GLY C C 52 170.386 170.386 176.256 -5.870 17629 1984 1 6 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.971 -1.594 17629 1985 1 6 . 1 1 52 52 GLY H H 52 9.039 9.039 8.333 0.706 17629 1986 1 6 . 1 1 53 53 LEU N N 53 120.239 120.239 119.424 0.815 17629 1987 1 6 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.333 0.866 17629 1988 1 6 . 1 1 53 53 LEU C C 53 177.929 177.929 176.174 1.755 17629 1989 1 6 . 1 1 53 53 LEU CA C 53 54.618 54.618 55.546 -0.928 17629 1990 1 6 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.471 2.573 17629 1991 1 6 . 1 1 53 53 LEU H H 53 9.169 9.169 8.548 0.621 17629 1992 1 6 . 1 1 54 54 VAL N N 54 111.925 111.925 115.717 -3.792 17629 1993 1 6 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.473 0.367 17629 1994 1 6 . 1 1 54 54 VAL C C 54 172.319 172.319 174.683 -2.364 17629 1995 1 6 . 1 1 54 54 VAL CA C 54 57.190 57.190 61.035 -3.845 17629 1996 1 6 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.987 0.215 17629 1997 1 6 . 1 1 54 54 VAL H H 54 9.191 9.191 7.557 1.634 17629 1998 1 6 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.349 -1.236 17629 1999 1 6 . 1 1 55 55 PRO C C 55 178.107 178.107 176.021 2.086 17629 2000 1 6 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.211 0.825 17629 2001 1 6 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.258 -3.828 17629 2002 1 6 . 1 1 56 56 GLU N N 56 126.923 126.923 120.803 6.120 17629 2003 1 6 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.677 -0.921 17629 2004 1 6 . 1 1 56 56 GLU C C 56 177.586 177.586 176.056 1.530 17629 2005 1 6 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.616 4.436 17629 2006 1 6 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.710 -1.497 17629 2007 1 6 . 1 1 56 56 GLU H H 56 8.503 8.503 8.691 -0.188 17629 2008 1 6 . 1 1 57 57 GLU N N 57 113.138 113.138 127.540 -14.402 17629 2009 1 6 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.307 0.028 17629 2010 1 6 . 1 1 57 57 GLU C C 57 175.950 175.950 177.053 -1.103 17629 2011 1 6 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.106 -0.472 17629 2012 1 6 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.441 0.374 17629 2013 1 6 . 1 1 57 57 GLU H H 57 8.743 8.743 8.992 -0.249 17629 2014 1 6 . 1 1 58 58 PHE N N 58 116.994 116.994 124.759 -7.765 17629 2015 1 6 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.583 0.204 17629 2016 1 6 . 1 1 58 58 PHE C C 58 174.773 174.773 174.799 -0.026 17629 2017 1 6 . 1 1 58 58 PHE CB C 58 38.671 38.671 39.952 -1.280 17629 2018 1 6 . 1 1 58 58 PHE H H 58 8.002 8.002 7.911 0.091 17629 2019 1 6 . 1 1 59 59 VAL N N 59 110.037 110.037 122.237 -12.200 17629 2020 1 6 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.442 0.968 17629 2021 1 6 . 1 1 59 59 VAL C C 59 173.781 173.781 174.303 -0.522 17629 2022 1 6 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.842 -1.920 17629 2023 1 6 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.449 0.723 17629 2024 1 6 . 1 1 59 59 VAL H H 59 7.328 7.328 8.242 -0.914 17629 2025 1 6 . 1 1 60 60 SER HA H 60 4.711 4.711 4.444 0.267 17629 2026 1 6 . 1 1 60 60 SER C C 60 174.901 174.901 173.963 0.938 17629 2027 1 6 . 1 1 60 60 SER CA C 60 55.416 55.416 59.537 -4.121 17629 2028 1 6 . 1 1 60 60 SER CB C 60 64.846 64.846 63.884 0.962 17629 2029 1 6 . 1 1 61 61 TYR N N 61 126.709 126.709 115.955 10.754 17629 2030 1 6 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.720 -0.146 17629 2031 1 6 . 1 1 61 61 TYR C C 61 176.232 176.232 173.795 2.437 17629 2032 1 6 . 1 1 61 61 TYR CA C 61 59.240 59.240 57.989 1.251 17629 2033 1 6 . 1 1 61 61 TYR CB C 61 37.986 37.986 39.398 -1.412 17629 2034 1 6 . 1 1 61 61 TYR H H 61 8.560 8.560 8.276 0.284 17629 2035 1 6 . 1 1 62 62 ILE N N 62 122.059 122.059 121.664 0.395 17629 2036 1 6 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.404 -0.161 17629 2037 1 6 . 1 1 62 62 ILE C C 62 175.812 175.812 175.452 0.360 17629 2038 1 6 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.476 0.154 17629 2039 1 6 . 1 1 62 62 ILE CB C 62 39.160 39.160 37.855 1.305 17629 2040 1 6 . 1 1 62 62 ILE H H 62 8.303 8.303 7.676 0.627 17629 2041 1 7 . 1 1 2 2 LYS N N 2 125.410 125.410 123.838 1.572 17629 2042 1 7 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.583 -0.465 17629 2043 1 7 . 1 1 2 2 LYS C C 2 176.439 176.439 176.070 0.369 17629 2044 1 7 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.056 0.517 17629 2045 1 7 . 1 1 2 2 LYS CB C 2 20.200 20.200 21.023 -0.823 17629 2046 1 7 . 1 1 2 2 LYS H H 2 8.079 8.079 7.786 0.293 17629 2047 1 7 . 1 1 3 3 PHE N N 3 123.092 123.092 125.360 -2.268 17629 2048 1 7 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.139 -0.718 17629 2049 1 7 . 1 1 3 3 PHE C C 3 175.856 175.856 174.890 0.966 17629 2050 1 7 . 1 1 3 3 PHE CA C 3 61.665 61.665 61.044 0.622 17629 2051 1 7 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.369 -0.758 17629 2052 1 7 . 1 1 3 3 PHE H H 3 8.251 8.251 8.826 -0.575 17629 2053 1 7 . 1 1 4 4 ILE N N 4 125.149 125.149 118.541 6.608 17629 2054 1 7 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.601 -0.386 17629 2055 1 7 . 1 1 4 4 ILE C C 4 175.190 175.190 172.831 2.359 17629 2056 1 7 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.537 1.242 17629 2057 1 7 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.688 -2.156 17629 2058 1 7 . 1 1 4 4 ILE H H 4 7.775 7.775 8.833 -1.058 17629 2059 1 7 . 1 1 5 5 PRO N N 5 121.258 121.258 119.036 2.222 17629 2060 1 7 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.027 -1.268 17629 2061 1 7 . 1 1 5 5 PRO C C 5 174.455 174.455 173.397 1.058 17629 2062 1 7 . 1 1 5 5 PRO CA C 5 53.340 53.340 50.237 3.103 17629 2063 1 7 . 1 1 5 5 PRO CB C 5 37.870 37.870 43.024 -5.154 17629 2064 1 7 . 1 1 5 5 PRO H H 5 8.238 8.238 8.455 -0.217 17629 2065 1 7 . 1 1 6 6 SER N N 6 118.930 118.930 126.033 -7.103 17629 2066 1 7 . 1 1 6 6 SER HA H 6 4.439 4.439 4.768 -0.329 17629 2067 1 7 . 1 1 6 6 SER C C 6 174.756 174.756 175.874 -1.118 17629 2068 1 7 . 1 1 6 6 SER CA C 6 55.269 55.269 54.769 0.500 17629 2069 1 7 . 1 1 6 6 SER CB C 6 31.970 31.970 28.705 3.265 17629 2070 1 7 . 1 1 6 6 SER H H 6 9.042 9.042 8.709 0.333 17629 2071 1 7 . 1 1 7 7 ARG N N 7 124.908 124.908 124.094 0.814 17629 2072 1 7 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.978 1.020 17629 2073 1 7 . 1 1 7 7 ARG C C 7 175.313 175.313 175.814 -0.501 17629 2074 1 7 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.742 -1.273 17629 2075 1 7 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.046 2.494 17629 2076 1 7 . 1 1 7 7 ARG H H 7 7.601 7.601 8.357 -0.756 17629 2077 1 7 . 1 1 8 8 ALA N N 8 126.210 126.210 117.902 8.308 17629 2078 1 7 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.207 0.783 17629 2079 1 7 . 1 1 8 8 ALA C C 8 173.314 173.314 175.677 -2.363 17629 2080 1 7 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.551 1.219 17629 2081 1 7 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.121 2.094 17629 2082 1 7 . 1 1 8 8 ALA H H 8 9.198 9.198 7.106 2.092 17629 2083 1 7 . 1 1 9 9 ALA N N 9 117.480 117.480 120.627 -3.147 17629 2084 1 7 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.331 -0.727 17629 2085 1 7 . 1 1 9 9 ALA C C 9 174.805 174.805 174.724 0.081 17629 2086 1 7 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.898 -5.073 17629 2087 1 7 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.080 3.077 17629 2088 1 7 . 1 1 9 9 ALA H H 9 8.571 8.571 8.146 0.425 17629 2089 1 7 . 1 1 10 10 PRO N N 10 127.491 127.491 126.760 0.731 17629 2090 1 7 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.909 -0.440 17629 2091 1 7 . 1 1 10 10 PRO C C 10 178.703 178.703 175.187 3.516 17629 2092 1 7 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.233 0.588 17629 2093 1 7 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.411 -3.214 17629 2094 1 7 . 1 1 10 10 PRO H H 10 9.208 9.208 8.567 0.641 17629 2095 1 7 . 1 1 11 11 LYS N N 11 127.224 127.224 126.074 1.150 17629 2096 1 7 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.369 0.178 17629 2097 1 7 . 1 1 11 11 LYS C C 11 175.084 175.084 173.668 1.416 17629 2098 1 7 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.402 5.943 17629 2099 1 7 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.707 -0.270 17629 2100 1 7 . 1 1 11 11 LYS H H 11 8.270 8.270 7.768 0.502 17629 2101 1 7 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.462 -0.707 17629 2102 1 7 . 1 1 12 12 PRO C C 12 173.503 173.503 174.595 -1.092 17629 2103 1 7 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.645 3.142 17629 2104 1 7 . 1 1 13 13 PRO N N 13 117.819 117.819 122.637 -4.818 17629 2105 1 7 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.347 -0.029 17629 2106 1 7 . 1 1 13 13 PRO C C 13 175.940 175.940 175.802 0.138 17629 2107 1 7 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.638 0.931 17629 2108 1 7 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.949 -0.460 17629 2109 1 7 . 1 1 13 13 PRO H H 13 8.361 8.361 9.323 -0.962 17629 2110 1 7 . 1 1 14 14 SER N N 14 122.300 122.300 119.274 3.026 17629 2111 1 7 . 1 1 14 14 SER HA H 14 4.361 4.361 4.640 -0.279 17629 2112 1 7 . 1 1 14 14 SER C C 14 172.522 172.522 174.672 -2.150 17629 2113 1 7 . 1 1 14 14 SER CA C 14 56.389 56.389 57.423 -1.034 17629 2114 1 7 . 1 1 14 14 SER CB C 14 42.864 42.864 40.621 2.243 17629 2115 1 7 . 1 1 14 14 SER H H 14 8.138 8.138 7.572 0.566 17629 2116 1 7 . 1 1 15 15 GLU N N 15 128.991 128.991 118.991 10.000 17629 2117 1 7 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.439 0.248 17629 2118 1 7 . 1 1 15 15 GLU C C 15 172.941 172.941 175.513 -2.572 17629 2119 1 7 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.035 -5.620 17629 2120 1 7 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.312 0.878 17629 2121 1 7 . 1 1 15 15 GLU H H 15 8.234 8.234 8.563 -0.329 17629 2122 1 7 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.314 -0.013 17629 2123 1 7 . 1 1 16 16 ALA C C 16 177.175 177.175 176.153 1.022 17629 2124 1 7 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.567 0.032 17629 2125 1 7 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.298 2.187 17629 2126 1 7 . 1 1 16 16 ALA H H 16 8.263 8.263 7.884 0.379 17629 2127 1 7 . 1 1 17 17 GLU N N 17 119.882 119.882 119.692 0.190 17629 2128 1 7 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.724 -0.345 17629 2129 1 7 . 1 1 17 17 GLU C C 17 175.065 175.065 175.255 -0.190 17629 2130 1 7 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.575 0.006 17629 2131 1 7 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.026 -0.249 17629 2132 1 7 . 1 1 17 17 GLU H H 17 8.952 8.952 7.554 1.398 17629 2133 1 7 . 1 1 18 18 ASN N N 18 114.565 114.565 119.426 -4.861 17629 2134 1 7 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.115 -0.245 17629 2135 1 7 . 1 1 18 18 ASN C C 18 175.256 175.256 174.107 1.149 17629 2136 1 7 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.121 0.829 17629 2137 1 7 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.500 1.946 17629 2138 1 7 . 1 1 18 18 ASN H H 18 7.177 7.177 8.981 -1.804 17629 2139 1 7 . 1 1 19 19 ASP N N 19 120.622 120.622 121.902 -1.280 17629 2140 1 7 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.954 -0.442 17629 2141 1 7 . 1 1 19 19 ASP C C 19 175.848 175.848 175.498 0.350 17629 2142 1 7 . 1 1 19 19 ASP CA C 19 56.450 56.450 53.823 2.627 17629 2143 1 7 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.825 -1.166 17629 2144 1 7 . 1 1 19 19 ASP H H 19 8.753 8.753 8.411 0.342 17629 2145 1 7 . 1 1 20 20 ASN N N 20 115.197 115.197 117.600 -2.403 17629 2146 1 7 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.121 -0.356 17629 2147 1 7 . 1 1 20 20 ASN C C 20 174.017 174.017 173.702 0.315 17629 2148 1 7 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.363 -5.945 17629 2149 1 7 . 1 1 20 20 ASN H H 20 8.124 8.124 8.795 -0.671 17629 2150 1 7 . 1 1 21 21 GLU N N 21 119.591 119.591 124.061 -4.470 17629 2151 1 7 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.780 0.069 17629 2152 1 7 . 1 1 21 21 GLU C C 21 174.638 174.638 174.665 -0.027 17629 2153 1 7 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.312 -0.768 17629 2154 1 7 . 1 1 21 21 GLU CB C 21 31.708 31.708 32.054 -0.346 17629 2155 1 7 . 1 1 21 21 GLU H H 21 7.453 7.453 8.777 -1.324 17629 2156 1 7 . 1 1 22 22 LEU N N 22 126.694 126.694 126.537 0.157 17629 2157 1 7 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.882 0.473 17629 2158 1 7 . 1 1 22 22 LEU C C 22 173.258 173.258 178.023 -4.765 17629 2159 1 7 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.475 -3.027 17629 2160 1 7 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.598 2.752 17629 2161 1 7 . 1 1 22 22 LEU H H 22 8.765 8.765 8.809 -0.044 17629 2162 1 7 . 1 1 23 23 ARG N N 23 123.640 123.640 127.912 -4.272 17629 2163 1 7 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.844 0.332 17629 2164 1 7 . 1 1 23 23 ARG C C 23 176.038 176.038 175.771 0.267 17629 2165 1 7 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.730 1.389 17629 2166 1 7 . 1 1 23 23 ARG H H 23 8.023 8.023 8.918 -0.895 17629 2167 1 7 . 1 1 24 24 LEU N N 24 122.047 122.047 122.716 -0.669 17629 2168 1 7 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.453 0.473 17629 2169 1 7 . 1 1 24 24 LEU C C 24 176.320 176.320 176.030 0.290 17629 2170 1 7 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.307 -1.718 17629 2171 1 7 . 1 1 24 24 LEU CB C 24 45.841 45.841 42.905 2.936 17629 2172 1 7 . 1 1 24 24 LEU H H 24 8.686 8.686 8.251 0.435 17629 2173 1 7 . 1 1 25 25 ALA N N 25 127.826 127.826 123.055 4.771 17629 2174 1 7 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.716 0.334 17629 2175 1 7 . 1 1 25 25 ALA C C 25 176.497 176.497 176.887 -0.390 17629 2176 1 7 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.525 -0.789 17629 2177 1 7 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.855 0.912 17629 2178 1 7 . 1 1 25 25 ALA H H 25 8.747 8.747 8.171 0.576 17629 2179 1 7 . 1 1 26 26 GLU N N 26 121.396 121.396 118.259 3.137 17629 2180 1 7 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.849 -1.658 17629 2181 1 7 . 1 1 26 26 GLU C C 26 177.095 177.095 174.236 2.859 17629 2182 1 7 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.934 4.521 17629 2183 1 7 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.478 -4.038 17629 2184 1 7 . 1 1 26 26 GLU H H 26 8.756 8.756 8.805 -0.049 17629 2185 1 7 . 1 1 27 27 GLY N N 27 115.237 115.237 109.013 6.224 17629 2186 1 7 . 1 1 27 27 GLY C C 27 174.571 174.571 174.637 -0.066 17629 2187 1 7 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.750 2.026 17629 2188 1 7 . 1 1 27 27 GLY H H 27 8.878 8.878 8.689 0.189 17629 2189 1 7 . 1 1 28 28 ASP N N 28 122.805 122.805 125.543 -2.738 17629 2190 1 7 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.656 -0.174 17629 2191 1 7 . 1 1 28 28 ASP C C 28 174.781 174.781 177.040 -2.259 17629 2192 1 7 . 1 1 28 28 ASP CA C 28 55.493 55.493 53.031 2.462 17629 2193 1 7 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.794 3.940 17629 2194 1 7 . 1 1 28 28 ASP H H 28 8.655 8.655 8.925 -0.270 17629 2195 1 7 . 1 1 29 29 ILE N N 29 120.912 120.912 129.451 -8.539 17629 2196 1 7 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.031 0.878 17629 2197 1 7 . 1 1 29 29 ILE C C 29 176.392 176.392 175.087 1.305 17629 2198 1 7 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.134 -6.199 17629 2199 1 7 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.045 -1.435 17629 2200 1 7 . 1 1 29 29 ILE H H 29 8.484 8.484 8.675 -0.191 17629 2201 1 7 . 1 1 30 30 VAL N N 30 118.766 118.766 114.404 4.362 17629 2202 1 7 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.356 0.488 17629 2203 1 7 . 1 1 30 30 VAL C C 30 173.455 173.455 173.459 -0.004 17629 2204 1 7 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.937 -2.801 17629 2205 1 7 . 1 1 30 30 VAL CB C 30 35.470 35.470 33.237 2.233 17629 2206 1 7 . 1 1 30 30 VAL H H 30 8.840 8.840 7.406 1.434 17629 2207 1 7 . 1 1 31 31 PHE N N 31 118.993 118.993 124.524 -5.531 17629 2208 1 7 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.574 0.392 17629 2209 1 7 . 1 1 31 31 PHE C C 31 175.600 175.600 174.568 1.032 17629 2210 1 7 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.062 -1.365 17629 2211 1 7 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.853 1.317 17629 2212 1 7 . 1 1 31 31 PHE H H 31 8.961 8.961 8.652 0.309 17629 2213 1 7 . 1 1 32 32 ILE N N 32 124.714 124.714 126.178 -1.464 17629 2214 1 7 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.485 -0.115 17629 2215 1 7 . 1 1 32 32 ILE C C 32 175.776 175.776 175.672 0.104 17629 2216 1 7 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.401 -1.853 17629 2217 1 7 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.677 -5.642 17629 2218 1 7 . 1 1 32 32 ILE H H 32 9.043 9.043 8.260 0.783 17629 2219 1 7 . 1 1 33 33 SER N N 33 124.251 124.251 115.040 9.211 17629 2220 1 7 . 1 1 33 33 SER HA H 33 4.630 4.630 4.134 0.496 17629 2221 1 7 . 1 1 33 33 SER C C 33 175.353 175.353 174.469 0.884 17629 2222 1 7 . 1 1 33 33 SER CA C 33 59.396 59.396 58.460 0.936 17629 2223 1 7 . 1 1 33 33 SER H H 33 9.128 9.128 8.017 1.111 17629 2224 1 7 . 1 1 34 34 TYR N N 34 114.956 114.956 115.438 -0.482 17629 2225 1 7 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.234 0.614 17629 2226 1 7 . 1 1 34 34 TYR C C 34 172.582 172.582 175.973 -3.391 17629 2227 1 7 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.354 -2.232 17629 2228 1 7 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.896 3.364 17629 2229 1 7 . 1 1 34 34 TYR H H 34 7.457 7.457 8.797 -1.340 17629 2230 1 7 . 1 1 35 35 LYS N N 35 122.237 122.237 113.835 8.402 17629 2231 1 7 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.735 0.864 17629 2232 1 7 . 1 1 35 35 LYS C C 35 175.174 175.174 175.019 0.155 17629 2233 1 7 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.286 -0.539 17629 2234 1 7 . 1 1 35 35 LYS H H 35 8.697 8.697 8.486 0.211 17629 2235 1 7 . 1 1 36 36 HIS N N 36 127.413 127.413 117.335 10.078 17629 2236 1 7 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.831 -0.179 17629 2237 1 7 . 1 1 36 36 HIS C C 36 175.918 175.918 173.756 2.162 17629 2238 1 7 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.660 3.674 17629 2239 1 7 . 1 1 36 36 HIS CB C 36 32.782 32.782 32.073 0.709 17629 2240 1 7 . 1 1 36 36 HIS H H 36 8.122 8.122 7.729 0.393 17629 2241 1 7 . 1 1 37 37 GLY N N 37 105.500 105.500 108.627 -3.127 17629 2242 1 7 . 1 1 37 37 GLY C C 37 174.073 174.073 174.167 -0.094 17629 2243 1 7 . 1 1 37 37 GLY CA C 37 43.784 43.784 43.952 -0.168 17629 2244 1 7 . 1 1 37 37 GLY H H 37 8.000 8.000 9.328 -1.328 17629 2245 1 7 . 1 1 38 38 GLN N N 38 114.228 114.228 123.249 -9.021 17629 2246 1 7 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.720 -0.629 17629 2247 1 7 . 1 1 38 38 GLN C C 38 175.546 175.546 174.921 0.625 17629 2248 1 7 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.535 1.403 17629 2249 1 7 . 1 1 38 38 GLN CB C 38 27.560 27.560 26.962 0.598 17629 2250 1 7 . 1 1 38 38 GLN H H 38 9.025 9.025 7.791 1.234 17629 2251 1 7 . 1 1 39 39 GLY N N 39 104.000 104.000 116.090 -12.090 17629 2252 1 7 . 1 1 39 39 GLY C C 39 174.892 174.892 172.575 2.317 17629 2253 1 7 . 1 1 39 39 GLY CA C 39 45.610 45.610 43.068 2.542 17629 2254 1 7 . 1 1 39 39 GLY H H 39 8.664 8.664 8.918 -0.254 17629 2255 1 7 . 1 1 40 40 TRP N N 40 120.355 120.355 120.838 -0.483 17629 2256 1 7 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.538 -0.287 17629 2257 1 7 . 1 1 40 40 TRP C C 40 175.702 175.702 176.121 -0.419 17629 2258 1 7 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.679 1.920 17629 2259 1 7 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.116 0.242 17629 2260 1 7 . 1 1 40 40 TRP H H 40 7.938 7.938 8.261 -0.323 17629 2261 1 7 . 1 1 41 41 LEU N N 41 121.736 121.736 122.123 -0.387 17629 2262 1 7 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.120 0.847 17629 2263 1 7 . 1 1 41 41 LEU C C 41 174.893 174.893 177.863 -2.970 17629 2264 1 7 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.632 -1.693 17629 2265 1 7 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.249 1.407 17629 2266 1 7 . 1 1 41 41 LEU H H 41 9.626 9.626 8.576 1.050 17629 2267 1 7 . 1 1 42 42 VAL N N 42 120.248 120.248 117.684 2.564 17629 2268 1 7 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.868 0.240 17629 2269 1 7 . 1 1 42 42 VAL C C 42 173.905 173.905 177.501 -3.596 17629 2270 1 7 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.867 -1.568 17629 2271 1 7 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.652 0.110 17629 2272 1 7 . 1 1 42 42 VAL H H 42 8.593 8.593 8.574 0.019 17629 2273 1 7 . 1 1 43 43 ALA N N 43 130.238 130.238 121.615 8.623 17629 2274 1 7 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.120 1.369 17629 2275 1 7 . 1 1 43 43 ALA C C 43 174.736 174.736 178.514 -3.778 17629 2276 1 7 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.338 -3.640 17629 2277 1 7 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.278 5.848 17629 2278 1 7 . 1 1 43 43 ALA H H 43 9.080 9.080 7.955 1.125 17629 2279 1 7 . 1 1 44 44 GLU N N 44 118.066 118.066 119.701 -1.635 17629 2280 1 7 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.134 1.236 17629 2281 1 7 . 1 1 44 44 GLU C C 44 176.343 176.343 176.513 -0.170 17629 2282 1 7 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.337 -3.423 17629 2283 1 7 . 1 1 44 44 GLU H H 44 9.055 9.055 7.765 1.290 17629 2284 1 7 . 1 1 45 45 ASN N N 45 118.721 118.721 117.139 1.582 17629 2285 1 7 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.778 0.042 17629 2286 1 7 . 1 1 45 45 ASN C C 45 175.581 175.581 174.883 0.698 17629 2287 1 7 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.752 -1.752 17629 2288 1 7 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.277 -1.510 17629 2289 1 7 . 1 1 45 45 ASN H H 45 8.342 8.342 8.275 0.067 17629 2290 1 7 . 1 1 46 46 GLU N N 46 120.491 120.491 122.558 -2.067 17629 2291 1 7 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.556 -0.606 17629 2292 1 7 . 1 1 46 46 GLU C C 46 177.658 177.658 174.493 3.165 17629 2293 1 7 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.810 4.327 17629 2294 1 7 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.052 -1.544 17629 2295 1 7 . 1 1 46 46 GLU H H 46 8.521 8.521 7.815 0.706 17629 2296 1 7 . 1 1 47 47 SER N N 47 109.172 109.172 122.816 -13.644 17629 2297 1 7 . 1 1 47 47 SER HA H 47 4.376 4.376 5.120 -0.744 17629 2298 1 7 . 1 1 47 47 SER C C 47 175.760 175.760 173.752 2.008 17629 2299 1 7 . 1 1 47 47 SER CA C 47 58.349 58.349 57.600 0.749 17629 2300 1 7 . 1 1 47 47 SER CB C 47 63.906 63.906 66.268 -2.362 17629 2301 1 7 . 1 1 47 47 SER H H 47 8.029 8.029 8.703 -0.674 17629 2302 1 7 . 1 1 48 48 GLY N N 48 112.365 112.365 112.396 -0.031 17629 2303 1 7 . 1 1 48 48 GLY C C 48 174.289 174.289 171.804 2.485 17629 2304 1 7 . 1 1 48 48 GLY CA C 48 45.946 45.946 44.306 1.640 17629 2305 1 7 . 1 1 48 48 GLY H H 48 8.002 8.002 8.871 -0.869 17629 2306 1 7 . 1 1 49 49 SER N N 49 116.280 116.280 115.346 0.934 17629 2307 1 7 . 1 1 49 49 SER HA H 49 4.387 4.387 4.951 -0.564 17629 2308 1 7 . 1 1 49 49 SER C C 49 174.474 174.474 174.285 0.189 17629 2309 1 7 . 1 1 49 49 SER CA C 49 58.778 58.778 57.635 1.143 17629 2310 1 7 . 1 1 49 49 SER CB C 49 64.138 64.138 64.670 -0.532 17629 2311 1 7 . 1 1 49 49 SER H H 49 8.529 8.529 8.174 0.355 17629 2312 1 7 . 1 1 50 50 LYS N N 50 122.336 122.336 117.471 4.865 17629 2313 1 7 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.202 -0.525 17629 2314 1 7 . 1 1 50 50 LYS C C 50 173.788 173.788 174.126 -0.338 17629 2315 1 7 . 1 1 50 50 LYS CA C 50 55.921 55.921 51.919 4.003 17629 2316 1 7 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.148 1.514 17629 2317 1 7 . 1 1 50 50 LYS H H 50 7.879 7.879 9.329 -1.450 17629 2318 1 7 . 1 1 51 51 THR HA H 51 5.465 5.465 3.982 1.483 17629 2319 1 7 . 1 1 51 51 THR C C 51 173.478 173.478 173.597 -0.119 17629 2320 1 7 . 1 1 51 51 THR CA C 51 59.703 59.703 61.413 -1.710 17629 2321 1 7 . 1 1 51 51 THR CB C 51 71.505 71.505 69.186 2.319 17629 2322 1 7 . 1 1 52 52 GLY N N 52 110.609 110.609 110.296 0.313 17629 2323 1 7 . 1 1 52 52 GLY C C 52 170.386 170.386 176.670 -6.284 17629 2324 1 7 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.864 -1.487 17629 2325 1 7 . 1 1 52 52 GLY H H 52 9.039 9.039 8.233 0.806 17629 2326 1 7 . 1 1 53 53 LEU N N 53 120.239 120.239 119.221 1.018 17629 2327 1 7 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.270 0.929 17629 2328 1 7 . 1 1 53 53 LEU C C 53 177.929 177.929 176.125 1.804 17629 2329 1 7 . 1 1 53 53 LEU CA C 53 54.618 54.618 55.903 -1.285 17629 2330 1 7 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.905 2.139 17629 2331 1 7 . 1 1 53 53 LEU H H 53 9.169 9.169 8.483 0.686 17629 2332 1 7 . 1 1 54 54 VAL N N 54 111.925 111.925 114.958 -3.033 17629 2333 1 7 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.479 0.361 17629 2334 1 7 . 1 1 54 54 VAL C C 54 172.319 172.319 174.396 -2.077 17629 2335 1 7 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.983 -3.793 17629 2336 1 7 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.819 0.383 17629 2337 1 7 . 1 1 54 54 VAL H H 54 9.191 9.191 7.653 1.538 17629 2338 1 7 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.316 -1.203 17629 2339 1 7 . 1 1 55 55 PRO C C 55 178.107 178.107 176.258 1.849 17629 2340 1 7 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.302 0.734 17629 2341 1 7 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.190 -3.760 17629 2342 1 7 . 1 1 56 56 GLU N N 56 126.923 126.923 120.594 6.329 17629 2343 1 7 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.628 -0.872 17629 2344 1 7 . 1 1 56 56 GLU C C 56 177.586 177.586 176.053 1.533 17629 2345 1 7 . 1 1 56 56 GLU CA C 56 59.052 59.052 55.273 3.779 17629 2346 1 7 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.284 -1.071 17629 2347 1 7 . 1 1 56 56 GLU H H 56 8.503 8.503 8.630 -0.127 17629 2348 1 7 . 1 1 57 57 GLU N N 57 113.138 113.138 127.357 -14.219 17629 2349 1 7 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.283 0.052 17629 2350 1 7 . 1 1 57 57 GLU C C 57 175.950 175.950 177.072 -1.122 17629 2351 1 7 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.244 -0.610 17629 2352 1 7 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.440 0.375 17629 2353 1 7 . 1 1 57 57 GLU H H 57 8.743 8.743 8.955 -0.212 17629 2354 1 7 . 1 1 58 58 PHE N N 58 116.994 116.994 124.329 -7.335 17629 2355 1 7 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.647 0.140 17629 2356 1 7 . 1 1 58 58 PHE C C 58 174.773 174.773 174.686 0.087 17629 2357 1 7 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.262 -1.591 17629 2358 1 7 . 1 1 58 58 PHE H H 58 8.002 8.002 8.000 0.002 17629 2359 1 7 . 1 1 59 59 VAL N N 59 110.037 110.037 122.470 -12.433 17629 2360 1 7 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.431 0.979 17629 2361 1 7 . 1 1 59 59 VAL C C 59 173.781 173.781 174.303 -0.522 17629 2362 1 7 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.974 -2.052 17629 2363 1 7 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.333 0.839 17629 2364 1 7 . 1 1 59 59 VAL H H 59 7.328 7.328 8.292 -0.964 17629 2365 1 7 . 1 1 60 60 SER HA H 60 4.711 4.711 4.424 0.287 17629 2366 1 7 . 1 1 60 60 SER C C 60 174.901 174.901 173.948 0.953 17629 2367 1 7 . 1 1 60 60 SER CA C 60 55.416 55.416 59.629 -4.213 17629 2368 1 7 . 1 1 60 60 SER CB C 60 64.846 64.846 63.792 1.054 17629 2369 1 7 . 1 1 61 61 TYR N N 61 126.709 126.709 116.132 10.577 17629 2370 1 7 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.622 -0.048 17629 2371 1 7 . 1 1 61 61 TYR C C 61 176.232 176.232 174.167 2.065 17629 2372 1 7 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.037 1.203 17629 2373 1 7 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.593 -0.606 17629 2374 1 7 . 1 1 61 61 TYR H H 61 8.560 8.560 8.273 0.287 17629 2375 1 7 . 1 1 62 62 ILE N N 62 122.059 122.059 120.400 1.659 17629 2376 1 7 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.550 -0.307 17629 2377 1 7 . 1 1 62 62 ILE C C 62 175.812 175.812 175.349 0.463 17629 2378 1 7 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.508 0.122 17629 2379 1 7 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.540 -0.380 17629 2380 1 7 . 1 1 62 62 ILE H H 62 8.303 8.303 7.627 0.676 17629 2381 1 8 . 1 1 2 2 LYS N N 2 125.410 125.410 124.628 0.782 17629 2382 1 8 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.549 -0.431 17629 2383 1 8 . 1 1 2 2 LYS C C 2 176.439 176.439 176.337 0.102 17629 2384 1 8 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.072 0.501 17629 2385 1 8 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.761 -0.561 17629 2386 1 8 . 1 1 2 2 LYS H H 2 8.079 8.079 7.865 0.214 17629 2387 1 8 . 1 1 3 3 PHE N N 3 123.092 123.092 124.470 -1.378 17629 2388 1 8 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.101 -0.680 17629 2389 1 8 . 1 1 3 3 PHE C C 3 175.856 175.856 174.682 1.174 17629 2390 1 8 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.401 1.264 17629 2391 1 8 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.889 -1.278 17629 2392 1 8 . 1 1 3 3 PHE H H 3 8.251 8.251 8.719 -0.468 17629 2393 1 8 . 1 1 4 4 ILE N N 4 125.149 125.149 118.639 6.510 17629 2394 1 8 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.675 -0.460 17629 2395 1 8 . 1 1 4 4 ILE C C 4 175.190 175.190 172.829 2.361 17629 2396 1 8 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.387 1.392 17629 2397 1 8 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.649 -2.117 17629 2398 1 8 . 1 1 4 4 ILE H H 4 7.775 7.775 8.817 -1.042 17629 2399 1 8 . 1 1 5 5 PRO N N 5 121.258 121.258 118.873 2.385 17629 2400 1 8 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.098 -1.339 17629 2401 1 8 . 1 1 5 5 PRO C C 5 174.455 174.455 173.440 1.015 17629 2402 1 8 . 1 1 5 5 PRO CA C 5 53.340 53.340 50.189 3.151 17629 2403 1 8 . 1 1 5 5 PRO CB C 5 37.870 37.870 43.058 -5.188 17629 2404 1 8 . 1 1 5 5 PRO H H 5 8.238 8.238 8.543 -0.305 17629 2405 1 8 . 1 1 6 6 SER N N 6 118.930 118.930 125.328 -6.398 17629 2406 1 8 . 1 1 6 6 SER HA H 6 4.439 4.439 4.808 -0.369 17629 2407 1 8 . 1 1 6 6 SER C C 6 174.756 174.756 175.873 -1.117 17629 2408 1 8 . 1 1 6 6 SER CA C 6 55.269 55.269 54.609 0.660 17629 2409 1 8 . 1 1 6 6 SER CB C 6 31.970 31.970 28.753 3.217 17629 2410 1 8 . 1 1 6 6 SER H H 6 9.042 9.042 8.833 0.209 17629 2411 1 8 . 1 1 7 7 ARG N N 7 124.908 124.908 124.067 0.841 17629 2412 1 8 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.979 1.019 17629 2413 1 8 . 1 1 7 7 ARG C C 7 175.313 175.313 175.749 -0.436 17629 2414 1 8 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.707 -1.238 17629 2415 1 8 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.045 2.495 17629 2416 1 8 . 1 1 7 7 ARG H H 7 7.601 7.601 8.469 -0.868 17629 2417 1 8 . 1 1 8 8 ALA N N 8 126.210 126.210 117.647 8.563 17629 2418 1 8 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.270 0.720 17629 2419 1 8 . 1 1 8 8 ALA C C 8 173.314 173.314 175.696 -2.382 17629 2420 1 8 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.685 1.085 17629 2421 1 8 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.302 1.913 17629 2422 1 8 . 1 1 8 8 ALA H H 8 9.198 9.198 7.108 2.090 17629 2423 1 8 . 1 1 9 9 ALA N N 9 117.480 117.480 120.516 -3.036 17629 2424 1 8 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.443 -0.839 17629 2425 1 8 . 1 1 9 9 ALA C C 9 174.805 174.805 174.952 -0.147 17629 2426 1 8 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.859 -5.034 17629 2427 1 8 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.149 3.008 17629 2428 1 8 . 1 1 9 9 ALA H H 9 8.571 8.571 8.156 0.415 17629 2429 1 8 . 1 1 10 10 PRO N N 10 127.491 127.491 126.659 0.832 17629 2430 1 8 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.885 -0.416 17629 2431 1 8 . 1 1 10 10 PRO C C 10 178.703 178.703 175.256 3.447 17629 2432 1 8 . 1 1 10 10 PRO CA C 10 51.821 51.821 50.828 0.993 17629 2433 1 8 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.590 -3.393 17629 2434 1 8 . 1 1 10 10 PRO H H 10 9.208 9.208 8.636 0.572 17629 2435 1 8 . 1 1 11 11 LYS N N 11 127.224 127.224 125.728 1.496 17629 2436 1 8 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.390 0.157 17629 2437 1 8 . 1 1 11 11 LYS C C 11 175.084 175.084 173.782 1.302 17629 2438 1 8 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.352 5.993 17629 2439 1 8 . 1 1 11 11 LYS CB C 11 43.437 43.437 44.176 -0.739 17629 2440 1 8 . 1 1 11 11 LYS H H 11 8.270 8.270 7.827 0.443 17629 2441 1 8 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.554 -0.799 17629 2442 1 8 . 1 1 12 12 PRO C C 12 173.503 173.503 174.669 -1.166 17629 2443 1 8 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.479 3.308 17629 2444 1 8 . 1 1 13 13 PRO N N 13 117.819 117.819 123.004 -5.185 17629 2445 1 8 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.354 -0.036 17629 2446 1 8 . 1 1 13 13 PRO C C 13 175.940 175.940 175.901 0.039 17629 2447 1 8 . 1 1 13 13 PRO CA C 13 54.569 54.569 54.120 0.449 17629 2448 1 8 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.615 -0.126 17629 2449 1 8 . 1 1 13 13 PRO H H 13 8.361 8.361 8.851 -0.490 17629 2450 1 8 . 1 1 14 14 SER N N 14 122.300 122.300 119.216 3.084 17629 2451 1 8 . 1 1 14 14 SER HA H 14 4.361 4.361 4.639 -0.278 17629 2452 1 8 . 1 1 14 14 SER C C 14 172.522 172.522 175.232 -2.710 17629 2453 1 8 . 1 1 14 14 SER CA C 14 56.389 56.389 57.262 -0.873 17629 2454 1 8 . 1 1 14 14 SER CB C 14 42.864 42.864 40.827 2.037 17629 2455 1 8 . 1 1 14 14 SER H H 14 8.138 8.138 7.541 0.597 17629 2456 1 8 . 1 1 15 15 GLU N N 15 128.991 128.991 119.426 9.565 17629 2457 1 8 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.366 0.321 17629 2458 1 8 . 1 1 15 15 GLU C C 15 172.941 172.941 175.614 -2.673 17629 2459 1 8 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.690 -6.274 17629 2460 1 8 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.564 0.626 17629 2461 1 8 . 1 1 15 15 GLU H H 15 8.234 8.234 8.584 -0.350 17629 2462 1 8 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.338 -0.037 17629 2463 1 8 . 1 1 16 16 ALA C C 16 177.175 177.175 175.984 1.191 17629 2464 1 8 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.507 0.092 17629 2465 1 8 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.136 2.349 17629 2466 1 8 . 1 1 16 16 ALA H H 16 8.263 8.263 7.961 0.302 17629 2467 1 8 . 1 1 17 17 GLU N N 17 119.882 119.882 119.964 -0.082 17629 2468 1 8 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.695 -0.316 17629 2469 1 8 . 1 1 17 17 GLU C C 17 175.065 175.065 175.237 -0.172 17629 2470 1 8 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.429 0.152 17629 2471 1 8 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.203 -0.426 17629 2472 1 8 . 1 1 17 17 GLU H H 17 8.952 8.952 7.481 1.471 17629 2473 1 8 . 1 1 18 18 ASN N N 18 114.565 114.565 120.304 -5.739 17629 2474 1 8 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.106 -0.236 17629 2475 1 8 . 1 1 18 18 ASN C C 18 175.256 175.256 174.489 0.767 17629 2476 1 8 . 1 1 18 18 ASN CA C 18 51.950 51.950 52.030 -0.080 17629 2477 1 8 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.575 1.871 17629 2478 1 8 . 1 1 18 18 ASN H H 18 7.177 7.177 9.051 -1.874 17629 2479 1 8 . 1 1 19 19 ASP N N 19 120.622 120.622 121.114 -0.492 17629 2480 1 8 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.951 -0.439 17629 2481 1 8 . 1 1 19 19 ASP C C 19 175.848 175.848 175.508 0.340 17629 2482 1 8 . 1 1 19 19 ASP CA C 19 56.450 56.450 53.987 2.463 17629 2483 1 8 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.799 -1.140 17629 2484 1 8 . 1 1 19 19 ASP H H 19 8.753 8.753 8.438 0.315 17629 2485 1 8 . 1 1 20 20 ASN N N 20 115.197 115.197 119.088 -3.891 17629 2486 1 8 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.130 -0.365 17629 2487 1 8 . 1 1 20 20 ASN C C 20 174.017 174.017 173.654 0.363 17629 2488 1 8 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.216 -5.798 17629 2489 1 8 . 1 1 20 20 ASN H H 20 8.124 8.124 9.229 -1.105 17629 2490 1 8 . 1 1 21 21 GLU N N 21 119.591 119.591 122.850 -3.259 17629 2491 1 8 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.679 0.170 17629 2492 1 8 . 1 1 21 21 GLU C C 21 174.638 174.638 174.654 -0.016 17629 2493 1 8 . 1 1 21 21 GLU CA C 21 54.545 54.545 54.940 -0.395 17629 2494 1 8 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.606 0.102 17629 2495 1 8 . 1 1 21 21 GLU H H 21 7.453 7.453 8.326 -0.873 17629 2496 1 8 . 1 1 22 22 LEU N N 22 126.694 126.694 126.587 0.107 17629 2497 1 8 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.845 0.510 17629 2498 1 8 . 1 1 22 22 LEU C C 22 173.258 173.258 177.946 -4.688 17629 2499 1 8 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.538 -3.090 17629 2500 1 8 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.498 2.852 17629 2501 1 8 . 1 1 22 22 LEU H H 22 8.765 8.765 8.821 -0.056 17629 2502 1 8 . 1 1 23 23 ARG N N 23 123.640 123.640 127.271 -3.631 17629 2503 1 8 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.857 0.319 17629 2504 1 8 . 1 1 23 23 ARG C C 23 176.038 176.038 176.122 -0.084 17629 2505 1 8 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.780 1.339 17629 2506 1 8 . 1 1 23 23 ARG H H 23 8.023 8.023 8.896 -0.873 17629 2507 1 8 . 1 1 24 24 LEU N N 24 122.047 122.047 122.914 -0.867 17629 2508 1 8 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.409 0.517 17629 2509 1 8 . 1 1 24 24 LEU C C 24 176.320 176.320 175.343 0.977 17629 2510 1 8 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.920 -2.332 17629 2511 1 8 . 1 1 24 24 LEU CB C 24 45.841 45.841 42.970 2.871 17629 2512 1 8 . 1 1 24 24 LEU H H 24 8.686 8.686 8.003 0.683 17629 2513 1 8 . 1 1 25 25 ALA N N 25 127.826 127.826 123.310 4.516 17629 2514 1 8 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.769 0.281 17629 2515 1 8 . 1 1 25 25 ALA C C 25 176.497 176.497 176.008 0.489 17629 2516 1 8 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.986 -1.250 17629 2517 1 8 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.677 1.090 17629 2518 1 8 . 1 1 25 25 ALA H H 25 8.747 8.747 8.367 0.380 17629 2519 1 8 . 1 1 26 26 GLU N N 26 121.396 121.396 119.386 2.010 17629 2520 1 8 . 1 1 26 26 GLU HA H 26 3.191 3.191 5.051 -1.860 17629 2521 1 8 . 1 1 26 26 GLU C C 26 177.095 177.095 174.356 2.739 17629 2522 1 8 . 1 1 26 26 GLU CA C 26 58.455 58.455 52.717 5.738 17629 2523 1 8 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.060 -3.620 17629 2524 1 8 . 1 1 26 26 GLU H H 26 8.756 8.756 8.789 -0.033 17629 2525 1 8 . 1 1 27 27 GLY N N 27 115.237 115.237 108.234 7.003 17629 2526 1 8 . 1 1 27 27 GLY C C 27 174.571 174.571 174.948 -0.377 17629 2527 1 8 . 1 1 27 27 GLY CA C 27 44.776 44.776 43.057 1.719 17629 2528 1 8 . 1 1 27 27 GLY H H 27 8.878 8.878 8.471 0.407 17629 2529 1 8 . 1 1 28 28 ASP N N 28 122.805 122.805 126.227 -3.422 17629 2530 1 8 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.595 -0.113 17629 2531 1 8 . 1 1 28 28 ASP C C 28 174.781 174.781 176.693 -1.912 17629 2532 1 8 . 1 1 28 28 ASP CA C 28 55.493 55.493 53.018 2.475 17629 2533 1 8 . 1 1 28 28 ASP CB C 28 41.734 41.734 38.019 3.715 17629 2534 1 8 . 1 1 28 28 ASP H H 28 8.655 8.655 8.843 -0.188 17629 2535 1 8 . 1 1 29 29 ILE N N 29 120.912 120.912 127.798 -6.886 17629 2536 1 8 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.194 0.715 17629 2537 1 8 . 1 1 29 29 ILE C C 29 176.392 176.392 175.561 0.831 17629 2538 1 8 . 1 1 29 29 ILE CA C 29 58.935 58.935 64.916 -5.981 17629 2539 1 8 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.406 -1.796 17629 2540 1 8 . 1 1 29 29 ILE H H 29 8.484 8.484 8.469 0.015 17629 2541 1 8 . 1 1 30 30 VAL N N 30 118.766 118.766 114.122 4.644 17629 2542 1 8 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.345 0.499 17629 2543 1 8 . 1 1 30 30 VAL C C 30 173.455 173.455 173.283 0.172 17629 2544 1 8 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.634 -2.499 17629 2545 1 8 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.819 2.651 17629 2546 1 8 . 1 1 30 30 VAL H H 30 8.840 8.840 7.429 1.411 17629 2547 1 8 . 1 1 31 31 PHE N N 31 118.993 118.993 123.086 -4.093 17629 2548 1 8 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.602 0.364 17629 2549 1 8 . 1 1 31 31 PHE C C 31 175.600 175.600 174.409 1.191 17629 2550 1 8 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.278 -1.581 17629 2551 1 8 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.984 1.186 17629 2552 1 8 . 1 1 31 31 PHE H H 31 8.961 8.961 8.877 0.084 17629 2553 1 8 . 1 1 32 32 ILE N N 32 124.714 124.714 126.632 -1.918 17629 2554 1 8 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.540 -0.170 17629 2555 1 8 . 1 1 32 32 ILE C C 32 175.776 175.776 175.989 -0.213 17629 2556 1 8 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.740 -2.191 17629 2557 1 8 . 1 1 32 32 ILE CB C 32 36.035 36.035 42.360 -6.325 17629 2558 1 8 . 1 1 32 32 ILE H H 32 9.043 9.043 8.229 0.814 17629 2559 1 8 . 1 1 33 33 SER N N 33 124.251 124.251 115.161 9.090 17629 2560 1 8 . 1 1 33 33 SER HA H 33 4.630 4.630 4.093 0.537 17629 2561 1 8 . 1 1 33 33 SER C C 33 175.353 175.353 174.178 1.175 17629 2562 1 8 . 1 1 33 33 SER CA C 33 59.396 59.396 58.336 1.060 17629 2563 1 8 . 1 1 33 33 SER H H 33 9.128 9.128 7.961 1.167 17629 2564 1 8 . 1 1 34 34 TYR N N 34 114.956 114.956 116.781 -1.825 17629 2565 1 8 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.292 0.556 17629 2566 1 8 . 1 1 34 34 TYR C C 34 172.582 172.582 175.955 -3.373 17629 2567 1 8 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.115 -1.993 17629 2568 1 8 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.508 3.752 17629 2569 1 8 . 1 1 34 34 TYR H H 34 7.457 7.457 8.739 -1.282 17629 2570 1 8 . 1 1 35 35 LYS N N 35 122.237 122.237 115.333 6.904 17629 2571 1 8 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.666 0.933 17629 2572 1 8 . 1 1 35 35 LYS C C 35 175.174 175.174 174.670 0.504 17629 2573 1 8 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.261 -0.514 17629 2574 1 8 . 1 1 35 35 LYS H H 35 8.697 8.697 8.556 0.141 17629 2575 1 8 . 1 1 36 36 HIS N N 36 127.413 127.413 117.351 10.062 17629 2576 1 8 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.811 -0.159 17629 2577 1 8 . 1 1 36 36 HIS C C 36 175.918 175.918 173.830 2.088 17629 2578 1 8 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.677 3.657 17629 2579 1 8 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.880 0.902 17629 2580 1 8 . 1 1 36 36 HIS H H 36 8.122 8.122 7.703 0.419 17629 2581 1 8 . 1 1 37 37 GLY N N 37 105.500 105.500 108.781 -3.281 17629 2582 1 8 . 1 1 37 37 GLY C C 37 174.073 174.073 174.286 -0.213 17629 2583 1 8 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.045 -0.261 17629 2584 1 8 . 1 1 37 37 GLY H H 37 8.000 8.000 9.229 -1.229 17629 2585 1 8 . 1 1 38 38 GLN N N 38 114.228 114.228 123.371 -9.143 17629 2586 1 8 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.716 -0.625 17629 2587 1 8 . 1 1 38 38 GLN C C 38 175.546 175.546 174.716 0.830 17629 2588 1 8 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.800 1.138 17629 2589 1 8 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.629 -0.069 17629 2590 1 8 . 1 1 38 38 GLN H H 38 9.025 9.025 7.859 1.166 17629 2591 1 8 . 1 1 39 39 GLY N N 39 104.000 104.000 115.965 -11.965 17629 2592 1 8 . 1 1 39 39 GLY C C 39 174.892 174.892 172.635 2.257 17629 2593 1 8 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.856 2.754 17629 2594 1 8 . 1 1 39 39 GLY H H 39 8.664 8.664 8.902 -0.238 17629 2595 1 8 . 1 1 40 40 TRP N N 40 120.355 120.355 120.080 0.275 17629 2596 1 8 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.391 -0.140 17629 2597 1 8 . 1 1 40 40 TRP C C 40 175.702 175.702 176.103 -0.401 17629 2598 1 8 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.746 1.853 17629 2599 1 8 . 1 1 40 40 TRP CB C 40 33.358 33.358 32.909 0.449 17629 2600 1 8 . 1 1 40 40 TRP H H 40 7.938 7.938 8.277 -0.339 17629 2601 1 8 . 1 1 41 41 LEU N N 41 121.736 121.736 123.281 -1.545 17629 2602 1 8 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.186 0.781 17629 2603 1 8 . 1 1 41 41 LEU C C 41 174.893 174.893 177.910 -3.017 17629 2604 1 8 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.325 -1.387 17629 2605 1 8 . 1 1 41 41 LEU CB C 41 44.656 44.656 42.887 1.769 17629 2606 1 8 . 1 1 41 41 LEU H H 41 9.626 9.626 8.362 1.264 17629 2607 1 8 . 1 1 42 42 VAL N N 42 120.248 120.248 119.591 0.657 17629 2608 1 8 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.763 0.345 17629 2609 1 8 . 1 1 42 42 VAL C C 42 173.905 173.905 177.128 -3.223 17629 2610 1 8 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.873 -1.574 17629 2611 1 8 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.651 0.111 17629 2612 1 8 . 1 1 42 42 VAL H H 42 8.593 8.593 8.578 0.015 17629 2613 1 8 . 1 1 43 43 ALA N N 43 130.238 130.238 120.425 9.813 17629 2614 1 8 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.122 1.367 17629 2615 1 8 . 1 1 43 43 ALA C C 43 174.736 174.736 178.639 -3.903 17629 2616 1 8 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.823 -4.125 17629 2617 1 8 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.230 5.896 17629 2618 1 8 . 1 1 43 43 ALA H H 43 9.080 9.080 7.900 1.180 17629 2619 1 8 . 1 1 44 44 GLU N N 44 118.066 118.066 118.632 -0.566 17629 2620 1 8 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.141 1.229 17629 2621 1 8 . 1 1 44 44 GLU C C 44 176.343 176.343 176.183 0.160 17629 2622 1 8 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.409 -3.495 17629 2623 1 8 . 1 1 44 44 GLU H H 44 9.055 9.055 8.040 1.015 17629 2624 1 8 . 1 1 45 45 ASN N N 45 118.721 118.721 117.383 1.338 17629 2625 1 8 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.819 0.001 17629 2626 1 8 . 1 1 45 45 ASN C C 45 175.581 175.581 174.289 1.292 17629 2627 1 8 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.671 -1.670 17629 2628 1 8 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.341 -1.574 17629 2629 1 8 . 1 1 45 45 ASN H H 45 8.342 8.342 8.197 0.145 17629 2630 1 8 . 1 1 46 46 GLU N N 46 120.491 120.491 121.964 -1.473 17629 2631 1 8 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.622 -0.672 17629 2632 1 8 . 1 1 46 46 GLU C C 46 177.658 177.658 174.836 2.822 17629 2633 1 8 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.742 4.396 17629 2634 1 8 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.439 -1.931 17629 2635 1 8 . 1 1 46 46 GLU H H 46 8.521 8.521 7.800 0.721 17629 2636 1 8 . 1 1 47 47 SER N N 47 109.172 109.172 120.233 -11.061 17629 2637 1 8 . 1 1 47 47 SER HA H 47 4.376 4.376 5.081 -0.705 17629 2638 1 8 . 1 1 47 47 SER C C 47 175.760 175.760 174.042 1.718 17629 2639 1 8 . 1 1 47 47 SER CA C 47 58.349 58.349 56.871 1.478 17629 2640 1 8 . 1 1 47 47 SER CB C 47 63.906 63.906 66.695 -2.789 17629 2641 1 8 . 1 1 47 47 SER H H 47 8.029 8.029 8.557 -0.528 17629 2642 1 8 . 1 1 48 48 GLY N N 48 112.365 112.365 110.015 2.350 17629 2643 1 8 . 1 1 48 48 GLY C C 48 174.289 174.289 171.885 2.404 17629 2644 1 8 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.505 0.441 17629 2645 1 8 . 1 1 48 48 GLY H H 48 8.002 8.002 8.771 -0.769 17629 2646 1 8 . 1 1 49 49 SER N N 49 116.280 116.280 115.177 1.103 17629 2647 1 8 . 1 1 49 49 SER HA H 49 4.387 4.387 5.099 -0.712 17629 2648 1 8 . 1 1 49 49 SER C C 49 174.474 174.474 174.259 0.215 17629 2649 1 8 . 1 1 49 49 SER CA C 49 58.778 58.778 57.738 1.040 17629 2650 1 8 . 1 1 49 49 SER CB C 49 64.138 64.138 64.584 -0.446 17629 2651 1 8 . 1 1 49 49 SER H H 49 8.529 8.529 8.068 0.461 17629 2652 1 8 . 1 1 50 50 LYS N N 50 122.336 122.336 117.563 4.773 17629 2653 1 8 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.135 -0.458 17629 2654 1 8 . 1 1 50 50 LYS C C 50 173.788 173.788 173.867 -0.079 17629 2655 1 8 . 1 1 50 50 LYS CA C 50 55.921 55.921 51.818 4.103 17629 2656 1 8 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.038 1.624 17629 2657 1 8 . 1 1 50 50 LYS H H 50 7.879 7.879 9.347 -1.468 17629 2658 1 8 . 1 1 51 51 THR HA H 51 5.465 5.465 4.056 1.409 17629 2659 1 8 . 1 1 51 51 THR C C 51 173.478 173.478 173.848 -0.370 17629 2660 1 8 . 1 1 51 51 THR CA C 51 59.703 59.703 61.260 -1.557 17629 2661 1 8 . 1 1 51 51 THR CB C 51 71.505 71.505 69.327 2.178 17629 2662 1 8 . 1 1 52 52 GLY N N 52 110.609 110.609 110.977 -0.368 17629 2663 1 8 . 1 1 52 52 GLY C C 52 170.386 170.386 175.912 -5.526 17629 2664 1 8 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.679 -1.302 17629 2665 1 8 . 1 1 52 52 GLY H H 52 9.039 9.039 8.514 0.525 17629 2666 1 8 . 1 1 53 53 LEU N N 53 120.239 120.239 118.463 1.776 17629 2667 1 8 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.341 0.858 17629 2668 1 8 . 1 1 53 53 LEU C C 53 177.929 177.929 176.707 1.222 17629 2669 1 8 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.282 -1.665 17629 2670 1 8 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.616 2.428 17629 2671 1 8 . 1 1 53 53 LEU H H 53 9.169 9.169 8.445 0.724 17629 2672 1 8 . 1 1 54 54 VAL N N 54 111.925 111.925 115.830 -3.905 17629 2673 1 8 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.437 0.403 17629 2674 1 8 . 1 1 54 54 VAL C C 54 172.319 172.319 174.653 -2.334 17629 2675 1 8 . 1 1 54 54 VAL CA C 54 57.190 57.190 61.330 -4.140 17629 2676 1 8 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.769 0.433 17629 2677 1 8 . 1 1 54 54 VAL H H 54 9.191 9.191 7.656 1.535 17629 2678 1 8 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.309 -1.196 17629 2679 1 8 . 1 1 55 55 PRO C C 55 178.107 178.107 176.211 1.896 17629 2680 1 8 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.269 0.767 17629 2681 1 8 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.123 -3.693 17629 2682 1 8 . 1 1 56 56 GLU N N 56 126.923 126.923 120.450 6.473 17629 2683 1 8 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.700 -0.944 17629 2684 1 8 . 1 1 56 56 GLU C C 56 177.586 177.586 176.252 1.334 17629 2685 1 8 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.770 4.282 17629 2686 1 8 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.392 -1.179 17629 2687 1 8 . 1 1 56 56 GLU H H 56 8.503 8.503 8.724 -0.221 17629 2688 1 8 . 1 1 57 57 GLU N N 57 113.138 113.138 127.623 -14.485 17629 2689 1 8 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.130 0.205 17629 2690 1 8 . 1 1 57 57 GLU C C 57 175.950 175.950 177.050 -1.100 17629 2691 1 8 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.282 -0.648 17629 2692 1 8 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.671 0.144 17629 2693 1 8 . 1 1 57 57 GLU H H 57 8.743 8.743 8.999 -0.256 17629 2694 1 8 . 1 1 58 58 PHE N N 58 116.994 116.994 124.301 -7.307 17629 2695 1 8 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.652 0.135 17629 2696 1 8 . 1 1 58 58 PHE C C 58 174.773 174.773 174.648 0.125 17629 2697 1 8 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.300 -1.629 17629 2698 1 8 . 1 1 58 58 PHE H H 58 8.002 8.002 8.048 -0.046 17629 2699 1 8 . 1 1 59 59 VAL N N 59 110.037 110.037 122.856 -12.819 17629 2700 1 8 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.438 0.972 17629 2701 1 8 . 1 1 59 59 VAL C C 59 173.781 173.781 174.311 -0.530 17629 2702 1 8 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.947 -2.025 17629 2703 1 8 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.316 0.856 17629 2704 1 8 . 1 1 59 59 VAL H H 59 7.328 7.328 8.302 -0.974 17629 2705 1 8 . 1 1 60 60 SER HA H 60 4.711 4.711 4.442 0.269 17629 2706 1 8 . 1 1 60 60 SER C C 60 174.901 174.901 174.010 0.891 17629 2707 1 8 . 1 1 60 60 SER CA C 60 55.416 55.416 59.519 -4.103 17629 2708 1 8 . 1 1 60 60 SER CB C 60 64.846 64.846 63.910 0.936 17629 2709 1 8 . 1 1 61 61 TYR N N 61 126.709 126.709 115.938 10.771 17629 2710 1 8 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.709 -0.135 17629 2711 1 8 . 1 1 61 61 TYR C C 61 176.232 176.232 173.787 2.445 17629 2712 1 8 . 1 1 61 61 TYR CA C 61 59.240 59.240 57.943 1.297 17629 2713 1 8 . 1 1 61 61 TYR CB C 61 37.986 37.986 39.573 -1.587 17629 2714 1 8 . 1 1 61 61 TYR H H 61 8.560 8.560 8.285 0.275 17629 2715 1 8 . 1 1 62 62 ILE N N 62 122.059 122.059 121.504 0.555 17629 2716 1 8 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.445 -0.202 17629 2717 1 8 . 1 1 62 62 ILE C C 62 175.812 175.812 175.629 0.183 17629 2718 1 8 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.217 0.413 17629 2719 1 8 . 1 1 62 62 ILE CB C 62 39.160 39.160 38.897 0.263 17629 2720 1 8 . 1 1 62 62 ILE H H 62 8.303 8.303 7.645 0.658 17629 2721 1 9 . 1 1 2 2 LYS N N 2 125.410 125.410 123.930 1.480 17629 2722 1 9 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.626 -0.508 17629 2723 1 9 . 1 1 2 2 LYS C C 2 176.439 176.439 176.018 0.421 17629 2724 1 9 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.039 0.534 17629 2725 1 9 . 1 1 2 2 LYS CB C 2 20.200 20.200 21.318 -1.118 17629 2726 1 9 . 1 1 2 2 LYS H H 2 8.079 8.079 7.833 0.246 17629 2727 1 9 . 1 1 3 3 PHE N N 3 123.092 123.092 125.079 -1.987 17629 2728 1 9 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.126 -0.705 17629 2729 1 9 . 1 1 3 3 PHE C C 3 175.856 175.856 174.795 1.061 17629 2730 1 9 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.761 0.904 17629 2731 1 9 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.541 -0.930 17629 2732 1 9 . 1 1 3 3 PHE H H 3 8.251 8.251 8.801 -0.550 17629 2733 1 9 . 1 1 4 4 ILE N N 4 125.149 125.149 118.744 6.405 17629 2734 1 9 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.615 -0.401 17629 2735 1 9 . 1 1 4 4 ILE C C 4 175.190 175.190 172.867 2.323 17629 2736 1 9 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.498 1.281 17629 2737 1 9 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.679 -2.147 17629 2738 1 9 . 1 1 4 4 ILE H H 4 7.775 7.775 8.908 -1.133 17629 2739 1 9 . 1 1 5 5 PRO N N 5 121.258 121.258 118.814 2.444 17629 2740 1 9 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.002 -1.243 17629 2741 1 9 . 1 1 5 5 PRO C C 5 174.455 174.455 173.498 0.957 17629 2742 1 9 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.411 3.929 17629 2743 1 9 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.824 -4.954 17629 2744 1 9 . 1 1 5 5 PRO H H 5 8.238 8.238 8.679 -0.441 17629 2745 1 9 . 1 1 6 6 SER N N 6 118.930 118.930 126.883 -7.953 17629 2746 1 9 . 1 1 6 6 SER HA H 6 4.439 4.439 4.770 -0.331 17629 2747 1 9 . 1 1 6 6 SER C C 6 174.756 174.756 176.123 -1.367 17629 2748 1 9 . 1 1 6 6 SER CA C 6 55.269 55.269 54.691 0.577 17629 2749 1 9 . 1 1 6 6 SER CB C 6 31.970 31.970 28.468 3.502 17629 2750 1 9 . 1 1 6 6 SER H H 6 9.042 9.042 8.740 0.302 17629 2751 1 9 . 1 1 7 7 ARG N N 7 124.908 124.908 125.411 -0.503 17629 2752 1 9 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.889 1.109 17629 2753 1 9 . 1 1 7 7 ARG C C 7 175.313 175.313 175.651 -0.338 17629 2754 1 9 . 1 1 7 7 ARG CA C 7 56.469 56.469 58.220 -1.751 17629 2755 1 9 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.020 2.520 17629 2756 1 9 . 1 1 7 7 ARG H H 7 7.601 7.601 8.637 -1.036 17629 2757 1 9 . 1 1 8 8 ALA N N 8 126.210 126.210 117.405 8.805 17629 2758 1 9 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.247 0.743 17629 2759 1 9 . 1 1 8 8 ALA C C 8 173.314 173.314 175.765 -2.451 17629 2760 1 9 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.187 1.583 17629 2761 1 9 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.054 2.161 17629 2762 1 9 . 1 1 8 8 ALA H H 8 9.198 9.198 7.273 1.925 17629 2763 1 9 . 1 1 9 9 ALA N N 9 117.480 117.480 118.839 -1.359 17629 2764 1 9 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.396 -0.792 17629 2765 1 9 . 1 1 9 9 ALA C C 9 174.805 174.805 174.763 0.042 17629 2766 1 9 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.360 -4.535 17629 2767 1 9 . 1 1 9 9 ALA CB C 9 35.157 35.157 31.896 3.261 17629 2768 1 9 . 1 1 9 9 ALA H H 9 8.571 8.571 8.175 0.396 17629 2769 1 9 . 1 1 10 10 PRO N N 10 127.491 127.491 125.569 1.922 17629 2770 1 9 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.884 -0.415 17629 2771 1 9 . 1 1 10 10 PRO C C 10 178.703 178.703 175.279 3.424 17629 2772 1 9 . 1 1 10 10 PRO CA C 10 51.821 51.821 50.970 0.851 17629 2773 1 9 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.708 -3.511 17629 2774 1 9 . 1 1 10 10 PRO H H 10 9.208 9.208 8.768 0.440 17629 2775 1 9 . 1 1 11 11 LYS N N 11 127.224 127.224 125.731 1.493 17629 2776 1 9 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.451 0.096 17629 2777 1 9 . 1 1 11 11 LYS C C 11 175.084 175.084 173.824 1.260 17629 2778 1 9 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.701 5.644 17629 2779 1 9 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.628 -0.191 17629 2780 1 9 . 1 1 11 11 LYS H H 11 8.270 8.270 8.020 0.250 17629 2781 1 9 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.415 -0.660 17629 2782 1 9 . 1 1 12 12 PRO C C 12 173.503 173.503 174.007 -0.504 17629 2783 1 9 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.917 2.870 17629 2784 1 9 . 1 1 13 13 PRO N N 13 117.819 117.819 120.225 -2.406 17629 2785 1 9 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.358 -0.040 17629 2786 1 9 . 1 1 13 13 PRO C C 13 175.940 175.940 175.565 0.375 17629 2787 1 9 . 1 1 13 13 PRO CA C 13 54.569 54.569 54.610 -0.041 17629 2788 1 9 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.302 0.187 17629 2789 1 9 . 1 1 13 13 PRO H H 13 8.361 8.361 8.522 -0.161 17629 2790 1 9 . 1 1 14 14 SER N N 14 122.300 122.300 118.907 3.393 17629 2791 1 9 . 1 1 14 14 SER HA H 14 4.361 4.361 4.566 -0.205 17629 2792 1 9 . 1 1 14 14 SER C C 14 172.522 172.522 175.224 -2.702 17629 2793 1 9 . 1 1 14 14 SER CA C 14 56.389 56.389 57.192 -0.803 17629 2794 1 9 . 1 1 14 14 SER CB C 14 42.864 42.864 39.996 2.868 17629 2795 1 9 . 1 1 14 14 SER H H 14 8.138 8.138 7.782 0.356 17629 2796 1 9 . 1 1 15 15 GLU N N 15 128.991 128.991 119.026 9.965 17629 2797 1 9 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.419 0.268 17629 2798 1 9 . 1 1 15 15 GLU C C 15 172.941 172.941 175.503 -2.562 17629 2799 1 9 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.153 -5.738 17629 2800 1 9 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.211 0.979 17629 2801 1 9 . 1 1 15 15 GLU H H 15 8.234 8.234 8.599 -0.365 17629 2802 1 9 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.308 -0.007 17629 2803 1 9 . 1 1 16 16 ALA C C 16 177.175 177.175 175.949 1.226 17629 2804 1 9 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.619 -0.020 17629 2805 1 9 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.662 1.823 17629 2806 1 9 . 1 1 16 16 ALA H H 16 8.263 8.263 7.835 0.428 17629 2807 1 9 . 1 1 17 17 GLU N N 17 119.882 119.882 120.111 -0.229 17629 2808 1 9 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.652 -0.273 17629 2809 1 9 . 1 1 17 17 GLU C C 17 175.065 175.065 175.335 -0.270 17629 2810 1 9 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.535 0.046 17629 2811 1 9 . 1 1 17 17 GLU CB C 17 31.777 31.777 31.634 0.143 17629 2812 1 9 . 1 1 17 17 GLU H H 17 8.952 8.952 7.501 1.451 17629 2813 1 9 . 1 1 18 18 ASN N N 18 114.565 114.565 120.817 -6.252 17629 2814 1 9 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.121 -0.251 17629 2815 1 9 . 1 1 18 18 ASN C C 18 175.256 175.256 174.396 0.860 17629 2816 1 9 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.600 0.350 17629 2817 1 9 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.480 1.966 17629 2818 1 9 . 1 1 18 18 ASN H H 18 7.177 7.177 9.062 -1.885 17629 2819 1 9 . 1 1 19 19 ASP N N 19 120.622 120.622 122.181 -1.559 17629 2820 1 9 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.775 -0.263 17629 2821 1 9 . 1 1 19 19 ASP C C 19 175.848 175.848 175.785 0.063 17629 2822 1 9 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.557 1.893 17629 2823 1 9 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.638 -0.979 17629 2824 1 9 . 1 1 19 19 ASP H H 19 8.753 8.753 8.423 0.330 17629 2825 1 9 . 1 1 20 20 ASN N N 20 115.197 115.197 119.142 -3.945 17629 2826 1 9 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.130 -0.365 17629 2827 1 9 . 1 1 20 20 ASN C C 20 174.017 174.017 173.492 0.525 17629 2828 1 9 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.174 -5.756 17629 2829 1 9 . 1 1 20 20 ASN H H 20 8.124 8.124 9.089 -0.965 17629 2830 1 9 . 1 1 21 21 GLU N N 21 119.591 119.591 122.924 -3.333 17629 2831 1 9 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.679 0.170 17629 2832 1 9 . 1 1 21 21 GLU C C 21 174.638 174.638 174.655 -0.017 17629 2833 1 9 . 1 1 21 21 GLU CA C 21 54.545 54.545 54.937 -0.392 17629 2834 1 9 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.562 0.146 17629 2835 1 9 . 1 1 21 21 GLU H H 21 7.453 7.453 8.328 -0.875 17629 2836 1 9 . 1 1 22 22 LEU N N 22 126.694 126.694 126.710 -0.016 17629 2837 1 9 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.879 0.476 17629 2838 1 9 . 1 1 22 22 LEU C C 22 173.258 173.258 177.999 -4.741 17629 2839 1 9 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.491 -3.043 17629 2840 1 9 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.514 2.837 17629 2841 1 9 . 1 1 22 22 LEU H H 22 8.765 8.765 8.849 -0.084 17629 2842 1 9 . 1 1 23 23 ARG N N 23 123.640 123.640 127.929 -4.289 17629 2843 1 9 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.848 0.328 17629 2844 1 9 . 1 1 23 23 ARG C C 23 176.038 176.038 175.708 0.330 17629 2845 1 9 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.715 1.404 17629 2846 1 9 . 1 1 23 23 ARG H H 23 8.023 8.023 8.972 -0.949 17629 2847 1 9 . 1 1 24 24 LEU N N 24 122.047 122.047 122.358 -0.311 17629 2848 1 9 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.422 0.504 17629 2849 1 9 . 1 1 24 24 LEU C C 24 176.320 176.320 175.859 0.461 17629 2850 1 9 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.521 -1.932 17629 2851 1 9 . 1 1 24 24 LEU CB C 24 45.841 45.841 42.954 2.887 17629 2852 1 9 . 1 1 24 24 LEU H H 24 8.686 8.686 8.079 0.607 17629 2853 1 9 . 1 1 25 25 ALA N N 25 127.826 127.826 123.980 3.846 17629 2854 1 9 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.700 0.350 17629 2855 1 9 . 1 1 25 25 ALA C C 25 176.497 176.497 176.104 0.393 17629 2856 1 9 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.690 -0.954 17629 2857 1 9 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.492 1.275 17629 2858 1 9 . 1 1 25 25 ALA H H 25 8.747 8.747 8.431 0.316 17629 2859 1 9 . 1 1 26 26 GLU N N 26 121.396 121.396 116.607 4.789 17629 2860 1 9 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.915 -1.724 17629 2861 1 9 . 1 1 26 26 GLU C C 26 177.095 177.095 174.217 2.878 17629 2862 1 9 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.025 5.430 17629 2863 1 9 . 1 1 26 26 GLU CB C 26 29.440 29.440 32.961 -3.521 17629 2864 1 9 . 1 1 26 26 GLU H H 26 8.756 8.756 8.734 0.022 17629 2865 1 9 . 1 1 27 27 GLY N N 27 115.237 115.237 108.877 6.360 17629 2866 1 9 . 1 1 27 27 GLY C C 27 174.571 174.571 174.872 -0.301 17629 2867 1 9 . 1 1 27 27 GLY CA C 27 44.776 44.776 43.027 1.749 17629 2868 1 9 . 1 1 27 27 GLY H H 27 8.878 8.878 8.504 0.374 17629 2869 1 9 . 1 1 28 28 ASP N N 28 122.805 122.805 125.335 -2.530 17629 2870 1 9 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.654 -0.172 17629 2871 1 9 . 1 1 28 28 ASP C C 28 174.781 174.781 176.944 -2.163 17629 2872 1 9 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.798 2.695 17629 2873 1 9 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.714 4.020 17629 2874 1 9 . 1 1 28 28 ASP H H 28 8.655 8.655 8.880 -0.225 17629 2875 1 9 . 1 1 29 29 ILE N N 29 120.912 120.912 129.578 -8.666 17629 2876 1 9 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.057 0.852 17629 2877 1 9 . 1 1 29 29 ILE C C 29 176.392 176.392 175.042 1.350 17629 2878 1 9 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.438 -6.503 17629 2879 1 9 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.036 -1.426 17629 2880 1 9 . 1 1 29 29 ILE H H 29 8.484 8.484 8.688 -0.204 17629 2881 1 9 . 1 1 30 30 VAL N N 30 118.766 118.766 113.777 4.989 17629 2882 1 9 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.363 0.481 17629 2883 1 9 . 1 1 30 30 VAL C C 30 173.455 173.455 173.357 0.098 17629 2884 1 9 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.828 -2.693 17629 2885 1 9 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.998 2.472 17629 2886 1 9 . 1 1 30 30 VAL H H 30 8.840 8.840 7.460 1.380 17629 2887 1 9 . 1 1 31 31 PHE N N 31 118.993 118.993 123.149 -4.156 17629 2888 1 9 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.627 0.339 17629 2889 1 9 . 1 1 31 31 PHE C C 31 175.600 175.600 174.573 1.027 17629 2890 1 9 . 1 1 31 31 PHE CA C 31 56.697 56.697 57.984 -1.287 17629 2891 1 9 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.946 1.224 17629 2892 1 9 . 1 1 31 31 PHE H H 31 8.961 8.961 8.855 0.106 17629 2893 1 9 . 1 1 32 32 ILE N N 32 124.714 124.714 126.501 -1.787 17629 2894 1 9 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.498 -0.128 17629 2895 1 9 . 1 1 32 32 ILE C C 32 175.776 175.776 175.716 0.060 17629 2896 1 9 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.407 -1.858 17629 2897 1 9 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.645 -5.610 17629 2898 1 9 . 1 1 32 32 ILE H H 32 9.043 9.043 8.277 0.766 17629 2899 1 9 . 1 1 33 33 SER N N 33 124.251 124.251 115.155 9.096 17629 2900 1 9 . 1 1 33 33 SER HA H 33 4.630 4.630 4.142 0.488 17629 2901 1 9 . 1 1 33 33 SER C C 33 175.353 175.353 174.473 0.880 17629 2902 1 9 . 1 1 33 33 SER CA C 33 59.396 59.396 58.503 0.893 17629 2903 1 9 . 1 1 33 33 SER H H 33 9.128 9.128 8.027 1.101 17629 2904 1 9 . 1 1 34 34 TYR N N 34 114.956 114.956 116.809 -1.853 17629 2905 1 9 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.276 0.572 17629 2906 1 9 . 1 1 34 34 TYR C C 34 172.582 172.582 175.909 -3.327 17629 2907 1 9 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.099 -1.978 17629 2908 1 9 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.521 3.739 17629 2909 1 9 . 1 1 34 34 TYR H H 34 7.457 7.457 8.726 -1.269 17629 2910 1 9 . 1 1 35 35 LYS N N 35 122.237 122.237 115.221 7.016 17629 2911 1 9 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.641 0.958 17629 2912 1 9 . 1 1 35 35 LYS C C 35 175.174 175.174 174.639 0.535 17629 2913 1 9 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.245 -0.497 17629 2914 1 9 . 1 1 35 35 LYS H H 35 8.697 8.697 8.546 0.151 17629 2915 1 9 . 1 1 36 36 HIS N N 36 127.413 127.413 117.278 10.135 17629 2916 1 9 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.821 -0.169 17629 2917 1 9 . 1 1 36 36 HIS C C 36 175.918 175.918 173.803 2.115 17629 2918 1 9 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.622 3.712 17629 2919 1 9 . 1 1 36 36 HIS CB C 36 32.782 32.782 32.002 0.780 17629 2920 1 9 . 1 1 36 36 HIS H H 36 8.122 8.122 7.710 0.412 17629 2921 1 9 . 1 1 37 37 GLY N N 37 105.500 105.500 109.168 -3.668 17629 2922 1 9 . 1 1 37 37 GLY C C 37 174.073 174.073 174.181 -0.108 17629 2923 1 9 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.032 -0.248 17629 2924 1 9 . 1 1 37 37 GLY H H 37 8.000 8.000 9.277 -1.277 17629 2925 1 9 . 1 1 38 38 GLN N N 38 114.228 114.228 123.997 -9.769 17629 2926 1 9 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.731 -0.640 17629 2927 1 9 . 1 1 38 38 GLN C C 38 175.546 175.546 174.849 0.697 17629 2928 1 9 . 1 1 38 38 GLN CA C 38 56.938 56.938 56.028 0.910 17629 2929 1 9 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.445 0.115 17629 2930 1 9 . 1 1 38 38 GLN H H 38 9.025 9.025 7.838 1.187 17629 2931 1 9 . 1 1 39 39 GLY N N 39 104.000 104.000 115.774 -11.774 17629 2932 1 9 . 1 1 39 39 GLY C C 39 174.892 174.892 172.593 2.299 17629 2933 1 9 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.989 2.622 17629 2934 1 9 . 1 1 39 39 GLY H H 39 8.664 8.664 8.877 -0.213 17629 2935 1 9 . 1 1 40 40 TRP N N 40 120.355 120.355 120.619 -0.264 17629 2936 1 9 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.430 -0.179 17629 2937 1 9 . 1 1 40 40 TRP C C 40 175.702 175.702 176.121 -0.419 17629 2938 1 9 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.757 1.842 17629 2939 1 9 . 1 1 40 40 TRP CB C 40 33.358 33.358 32.904 0.455 17629 2940 1 9 . 1 1 40 40 TRP H H 40 7.938 7.938 8.279 -0.341 17629 2941 1 9 . 1 1 41 41 LEU N N 41 121.736 121.736 121.981 -0.245 17629 2942 1 9 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.159 0.808 17629 2943 1 9 . 1 1 41 41 LEU C C 41 174.893 174.893 177.636 -2.743 17629 2944 1 9 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.551 -1.612 17629 2945 1 9 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.436 1.220 17629 2946 1 9 . 1 1 41 41 LEU H H 41 9.626 9.626 8.421 1.205 17629 2947 1 9 . 1 1 42 42 VAL N N 42 120.248 120.248 118.425 1.823 17629 2948 1 9 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.792 0.316 17629 2949 1 9 . 1 1 42 42 VAL C C 42 173.905 173.905 177.532 -3.627 17629 2950 1 9 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.618 -1.319 17629 2951 1 9 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.773 -0.011 17629 2952 1 9 . 1 1 42 42 VAL H H 42 8.593 8.593 8.535 0.058 17629 2953 1 9 . 1 1 43 43 ALA N N 43 130.238 130.238 120.148 10.090 17629 2954 1 9 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.097 1.392 17629 2955 1 9 . 1 1 43 43 ALA C C 43 174.736 174.736 178.478 -3.742 17629 2956 1 9 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.326 -3.628 17629 2957 1 9 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.210 5.915 17629 2958 1 9 . 1 1 43 43 ALA H H 43 9.080 9.080 8.057 1.023 17629 2959 1 9 . 1 1 44 44 GLU N N 44 118.066 118.066 118.831 -0.765 17629 2960 1 9 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.209 1.161 17629 2961 1 9 . 1 1 44 44 GLU C C 44 176.343 176.343 176.156 0.187 17629 2962 1 9 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.500 -3.586 17629 2963 1 9 . 1 1 44 44 GLU H H 44 9.055 9.055 7.767 1.288 17629 2964 1 9 . 1 1 45 45 ASN N N 45 118.721 118.721 117.167 1.554 17629 2965 1 9 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.815 0.005 17629 2966 1 9 . 1 1 45 45 ASN C C 45 175.581 175.581 174.735 0.846 17629 2967 1 9 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.791 -1.790 17629 2968 1 9 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.332 -1.565 17629 2969 1 9 . 1 1 45 45 ASN H H 45 8.342 8.342 8.347 -0.005 17629 2970 1 9 . 1 1 46 46 GLU N N 46 120.491 120.491 122.000 -1.509 17629 2971 1 9 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.618 -0.668 17629 2972 1 9 . 1 1 46 46 GLU C C 46 177.658 177.658 174.592 3.066 17629 2973 1 9 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.859 4.279 17629 2974 1 9 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.814 -2.306 17629 2975 1 9 . 1 1 46 46 GLU H H 46 8.521 8.521 7.802 0.719 17629 2976 1 9 . 1 1 47 47 SER N N 47 109.172 109.172 120.507 -11.335 17629 2977 1 9 . 1 1 47 47 SER HA H 47 4.376 4.376 5.044 -0.668 17629 2978 1 9 . 1 1 47 47 SER C C 47 175.760 175.760 173.719 2.041 17629 2979 1 9 . 1 1 47 47 SER CA C 47 58.349 58.349 57.156 1.193 17629 2980 1 9 . 1 1 47 47 SER CB C 47 63.906 63.906 66.530 -2.624 17629 2981 1 9 . 1 1 47 47 SER H H 47 8.029 8.029 8.585 -0.556 17629 2982 1 9 . 1 1 48 48 GLY N N 48 112.365 112.365 111.715 0.650 17629 2983 1 9 . 1 1 48 48 GLY C C 48 174.289 174.289 171.885 2.404 17629 2984 1 9 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.088 0.858 17629 2985 1 9 . 1 1 48 48 GLY H H 48 8.002 8.002 8.964 -0.962 17629 2986 1 9 . 1 1 49 49 SER N N 49 116.280 116.280 115.538 0.742 17629 2987 1 9 . 1 1 49 49 SER HA H 49 4.387 4.387 4.995 -0.608 17629 2988 1 9 . 1 1 49 49 SER C C 49 174.474 174.474 174.248 0.226 17629 2989 1 9 . 1 1 49 49 SER CA C 49 58.778 58.778 57.576 1.202 17629 2990 1 9 . 1 1 49 49 SER CB C 49 64.138 64.138 65.053 -0.915 17629 2991 1 9 . 1 1 49 49 SER H H 49 8.529 8.529 8.022 0.507 17629 2992 1 9 . 1 1 50 50 LYS N N 50 122.336 122.336 116.448 5.888 17629 2993 1 9 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.322 -0.645 17629 2994 1 9 . 1 1 50 50 LYS C C 50 173.788 173.788 174.124 -0.336 17629 2995 1 9 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.049 3.872 17629 2996 1 9 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.566 1.096 17629 2997 1 9 . 1 1 50 50 LYS H H 50 7.879 7.879 9.318 -1.439 17629 2998 1 9 . 1 1 51 51 THR HA H 51 5.465 5.465 4.009 1.456 17629 2999 1 9 . 1 1 51 51 THR C C 51 173.478 173.478 173.915 -0.437 17629 3000 1 9 . 1 1 51 51 THR CA C 51 59.703 59.703 61.503 -1.800 17629 3001 1 9 . 1 1 51 51 THR CB C 51 71.505 71.505 69.266 2.239 17629 3002 1 9 . 1 1 52 52 GLY N N 52 110.609 110.609 110.232 0.377 17629 3003 1 9 . 1 1 52 52 GLY C C 52 170.386 170.386 176.617 -6.231 17629 3004 1 9 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.867 -1.490 17629 3005 1 9 . 1 1 52 52 GLY H H 52 9.039 9.039 8.361 0.678 17629 3006 1 9 . 1 1 53 53 LEU N N 53 120.239 120.239 119.944 0.295 17629 3007 1 9 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.244 0.955 17629 3008 1 9 . 1 1 53 53 LEU C C 53 177.929 177.929 176.364 1.565 17629 3009 1 9 . 1 1 53 53 LEU CA C 53 54.618 54.618 55.750 -1.132 17629 3010 1 9 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.365 2.679 17629 3011 1 9 . 1 1 53 53 LEU H H 53 9.169 9.169 8.461 0.708 17629 3012 1 9 . 1 1 54 54 VAL N N 54 111.925 111.925 115.672 -3.747 17629 3013 1 9 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.535 0.305 17629 3014 1 9 . 1 1 54 54 VAL C C 54 172.319 172.319 174.484 -2.165 17629 3015 1 9 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.655 -3.465 17629 3016 1 9 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.461 0.742 17629 3017 1 9 . 1 1 54 54 VAL H H 54 9.191 9.191 7.739 1.452 17629 3018 1 9 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.292 -1.179 17629 3019 1 9 . 1 1 55 55 PRO C C 55 178.107 178.107 176.002 2.105 17629 3020 1 9 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.341 0.695 17629 3021 1 9 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.475 -4.045 17629 3022 1 9 . 1 1 56 56 GLU N N 56 126.923 126.923 120.770 6.153 17629 3023 1 9 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.659 -0.903 17629 3024 1 9 . 1 1 56 56 GLU C C 56 177.586 177.586 176.039 1.547 17629 3025 1 9 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.915 4.137 17629 3026 1 9 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.487 -1.274 17629 3027 1 9 . 1 1 56 56 GLU H H 56 8.503 8.503 8.702 -0.199 17629 3028 1 9 . 1 1 57 57 GLU N N 57 113.138 113.138 127.656 -14.518 17629 3029 1 9 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.303 0.032 17629 3030 1 9 . 1 1 57 57 GLU C C 57 175.950 175.950 177.097 -1.147 17629 3031 1 9 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.127 -0.492 17629 3032 1 9 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.227 0.588 17629 3033 1 9 . 1 1 57 57 GLU H H 57 8.743 8.743 8.983 -0.240 17629 3034 1 9 . 1 1 58 58 PHE N N 58 116.994 116.994 124.544 -7.550 17629 3035 1 9 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.587 0.200 17629 3036 1 9 . 1 1 58 58 PHE C C 58 174.773 174.773 174.997 -0.224 17629 3037 1 9 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.021 -1.350 17629 3038 1 9 . 1 1 58 58 PHE H H 58 8.002 8.002 7.932 0.070 17629 3039 1 9 . 1 1 59 59 VAL N N 59 110.037 110.037 122.551 -12.514 17629 3040 1 9 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.432 0.978 17629 3041 1 9 . 1 1 59 59 VAL C C 59 173.781 173.781 174.276 -0.495 17629 3042 1 9 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.826 -1.904 17629 3043 1 9 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.509 0.663 17629 3044 1 9 . 1 1 59 59 VAL H H 59 7.328 7.328 8.246 -0.918 17629 3045 1 9 . 1 1 60 60 SER HA H 60 4.711 4.711 4.443 0.268 17629 3046 1 9 . 1 1 60 60 SER C C 60 174.901 174.901 173.954 0.947 17629 3047 1 9 . 1 1 60 60 SER CA C 60 55.416 55.416 59.578 -4.162 17629 3048 1 9 . 1 1 60 60 SER CB C 60 64.846 64.846 63.874 0.972 17629 3049 1 9 . 1 1 61 61 TYR N N 61 126.709 126.709 115.904 10.805 17629 3050 1 9 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.670 -0.096 17629 3051 1 9 . 1 1 61 61 TYR C C 61 176.232 176.232 174.285 1.947 17629 3052 1 9 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.188 1.052 17629 3053 1 9 . 1 1 61 61 TYR CB C 61 37.986 37.986 39.154 -1.168 17629 3054 1 9 . 1 1 61 61 TYR H H 61 8.560 8.560 8.102 0.458 17629 3055 1 9 . 1 1 62 62 ILE N N 62 122.059 122.059 118.911 3.148 17629 3056 1 9 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.402 -0.159 17629 3057 1 9 . 1 1 62 62 ILE C C 62 175.812 175.812 175.718 0.094 17629 3058 1 9 . 1 1 62 62 ILE CA C 62 60.630 60.630 61.332 -0.702 17629 3059 1 9 . 1 1 62 62 ILE CB C 62 39.160 39.160 37.936 1.224 17629 3060 1 9 . 1 1 62 62 ILE H H 62 8.303 8.303 7.907 0.396 17629 3061 1 10 . 1 1 2 2 LYS N N 2 125.410 125.410 124.047 1.363 17629 3062 1 10 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.622 -0.504 17629 3063 1 10 . 1 1 2 2 LYS C C 2 176.439 176.439 176.102 0.337 17629 3064 1 10 . 1 1 2 2 LYS CA C 2 51.573 51.573 50.898 0.675 17629 3065 1 10 . 1 1 2 2 LYS CB C 2 20.200 20.200 21.193 -0.993 17629 3066 1 10 . 1 1 2 2 LYS H H 2 8.079 8.079 7.870 0.209 17629 3067 1 10 . 1 1 3 3 PHE N N 3 123.092 123.092 125.091 -1.999 17629 3068 1 10 . 1 1 3 3 PHE HA H 3 4.421 4.421 4.989 -0.568 17629 3069 1 10 . 1 1 3 3 PHE C C 3 175.856 175.856 174.803 1.053 17629 3070 1 10 . 1 1 3 3 PHE CA C 3 61.665 61.665 61.080 0.585 17629 3071 1 10 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.370 -0.759 17629 3072 1 10 . 1 1 3 3 PHE H H 3 8.251 8.251 8.814 -0.563 17629 3073 1 10 . 1 1 4 4 ILE N N 4 125.149 125.149 118.884 6.265 17629 3074 1 10 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.475 -0.260 17629 3075 1 10 . 1 1 4 4 ILE C C 4 175.190 175.190 172.831 2.359 17629 3076 1 10 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.547 1.232 17629 3077 1 10 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.714 -2.182 17629 3078 1 10 . 1 1 4 4 ILE H H 4 7.775 7.775 8.902 -1.127 17629 3079 1 10 . 1 1 5 5 PRO N N 5 121.258 121.258 119.679 1.579 17629 3080 1 10 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.231 -1.472 17629 3081 1 10 . 1 1 5 5 PRO C C 5 174.455 174.455 173.530 0.925 17629 3082 1 10 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.340 4.000 17629 3083 1 10 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.633 -4.763 17629 3084 1 10 . 1 1 5 5 PRO H H 5 8.238 8.238 8.577 -0.339 17629 3085 1 10 . 1 1 6 6 SER N N 6 118.930 118.930 127.344 -8.414 17629 3086 1 10 . 1 1 6 6 SER HA H 6 4.439 4.439 4.851 -0.412 17629 3087 1 10 . 1 1 6 6 SER C C 6 174.756 174.756 175.999 -1.243 17629 3088 1 10 . 1 1 6 6 SER CA C 6 55.269 55.269 54.896 0.373 17629 3089 1 10 . 1 1 6 6 SER CB C 6 31.970 31.970 29.263 2.707 17629 3090 1 10 . 1 1 6 6 SER H H 6 9.042 9.042 8.679 0.363 17629 3091 1 10 . 1 1 7 7 ARG N N 7 124.908 124.908 122.891 2.017 17629 3092 1 10 . 1 1 7 7 ARG HA H 7 4.998 4.998 4.112 0.886 17629 3093 1 10 . 1 1 7 7 ARG C C 7 175.313 175.313 175.652 -0.339 17629 3094 1 10 . 1 1 7 7 ARG CA C 7 56.469 56.469 56.805 -0.336 17629 3095 1 10 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.271 2.268 17629 3096 1 10 . 1 1 7 7 ARG H H 7 7.601 7.601 8.568 -0.967 17629 3097 1 10 . 1 1 8 8 ALA N N 8 126.210 126.210 118.436 7.774 17629 3098 1 10 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.206 0.784 17629 3099 1 10 . 1 1 8 8 ALA C C 8 173.314 173.314 175.636 -2.322 17629 3100 1 10 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.832 0.938 17629 3101 1 10 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.026 2.189 17629 3102 1 10 . 1 1 8 8 ALA H H 8 9.198 9.198 7.038 2.160 17629 3103 1 10 . 1 1 9 9 ALA N N 9 117.480 117.480 120.923 -3.443 17629 3104 1 10 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.395 -0.791 17629 3105 1 10 . 1 1 9 9 ALA C C 9 174.805 174.805 175.024 -0.219 17629 3106 1 10 . 1 1 9 9 ALA CA C 9 57.825 57.825 63.002 -5.177 17629 3107 1 10 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.142 3.015 17629 3108 1 10 . 1 1 9 9 ALA H H 9 8.571 8.571 8.130 0.441 17629 3109 1 10 . 1 1 10 10 PRO N N 10 127.491 127.491 125.694 1.797 17629 3110 1 10 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.890 -0.421 17629 3111 1 10 . 1 1 10 10 PRO C C 10 178.703 178.703 175.183 3.520 17629 3112 1 10 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.069 0.752 17629 3113 1 10 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.727 -3.530 17629 3114 1 10 . 1 1 10 10 PRO H H 10 9.208 9.208 8.753 0.455 17629 3115 1 10 . 1 1 11 11 LYS N N 11 127.224 127.224 125.698 1.526 17629 3116 1 10 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.497 0.050 17629 3117 1 10 . 1 1 11 11 LYS C C 11 175.084 175.084 173.841 1.243 17629 3118 1 10 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.653 5.692 17629 3119 1 10 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.636 -0.199 17629 3120 1 10 . 1 1 11 11 LYS H H 11 8.270 8.270 7.934 0.336 17629 3121 1 10 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.450 -0.695 17629 3122 1 10 . 1 1 12 12 PRO C C 12 173.503 173.503 174.090 -0.587 17629 3123 1 10 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.798 2.989 17629 3124 1 10 . 1 1 13 13 PRO N N 13 117.819 117.819 119.667 -1.848 17629 3125 1 10 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.466 -0.148 17629 3126 1 10 . 1 1 13 13 PRO C C 13 175.940 175.940 175.522 0.418 17629 3127 1 10 . 1 1 13 13 PRO CA C 13 54.569 54.569 54.054 0.515 17629 3128 1 10 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.349 0.140 17629 3129 1 10 . 1 1 13 13 PRO H H 13 8.361 8.361 8.514 -0.153 17629 3130 1 10 . 1 1 14 14 SER N N 14 122.300 122.300 118.970 3.330 17629 3131 1 10 . 1 1 14 14 SER HA H 14 4.361 4.361 4.647 -0.286 17629 3132 1 10 . 1 1 14 14 SER C C 14 172.522 172.522 175.355 -2.833 17629 3133 1 10 . 1 1 14 14 SER CA C 14 56.389 56.389 57.149 -0.760 17629 3134 1 10 . 1 1 14 14 SER CB C 14 42.864 42.864 40.384 2.480 17629 3135 1 10 . 1 1 14 14 SER H H 14 8.138 8.138 7.738 0.400 17629 3136 1 10 . 1 1 15 15 GLU N N 15 128.991 128.991 119.343 9.648 17629 3137 1 10 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.418 0.269 17629 3138 1 10 . 1 1 15 15 GLU C C 15 172.941 172.941 175.591 -2.650 17629 3139 1 10 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.189 -5.774 17629 3140 1 10 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.262 0.928 17629 3141 1 10 . 1 1 15 15 GLU H H 15 8.234 8.234 8.571 -0.337 17629 3142 1 10 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.304 -0.003 17629 3143 1 10 . 1 1 16 16 ALA C C 16 177.175 177.175 176.012 1.163 17629 3144 1 10 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.422 0.177 17629 3145 1 10 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.372 2.113 17629 3146 1 10 . 1 1 16 16 ALA H H 16 8.263 8.263 7.861 0.402 17629 3147 1 10 . 1 1 17 17 GLU N N 17 119.882 119.882 120.088 -0.206 17629 3148 1 10 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.710 -0.332 17629 3149 1 10 . 1 1 17 17 GLU C C 17 175.065 175.065 175.210 -0.145 17629 3150 1 10 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.138 0.443 17629 3151 1 10 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.050 -0.273 17629 3152 1 10 . 1 1 17 17 GLU H H 17 8.952 8.952 7.574 1.378 17629 3153 1 10 . 1 1 18 18 ASN N N 18 114.565 114.565 119.686 -5.121 17629 3154 1 10 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.108 -0.238 17629 3155 1 10 . 1 1 18 18 ASN C C 18 175.256 175.256 174.484 0.772 17629 3156 1 10 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.626 0.324 17629 3157 1 10 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.264 2.182 17629 3158 1 10 . 1 1 18 18 ASN H H 18 7.177 7.177 9.010 -1.833 17629 3159 1 10 . 1 1 19 19 ASP N N 19 120.622 120.622 121.545 -0.923 17629 3160 1 10 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.697 -0.185 17629 3161 1 10 . 1 1 19 19 ASP C C 19 175.848 175.848 175.460 0.388 17629 3162 1 10 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.272 2.178 17629 3163 1 10 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.821 -1.161 17629 3164 1 10 . 1 1 19 19 ASP H H 19 8.753 8.753 8.492 0.261 17629 3165 1 10 . 1 1 20 20 ASN N N 20 115.197 115.197 117.676 -2.479 17629 3166 1 10 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.160 -0.395 17629 3167 1 10 . 1 1 20 20 ASN C C 20 174.017 174.017 173.981 0.036 17629 3168 1 10 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.448 -6.030 17629 3169 1 10 . 1 1 20 20 ASN H H 20 8.124 8.124 8.692 -0.568 17629 3170 1 10 . 1 1 21 21 GLU N N 21 119.591 119.591 124.044 -4.453 17629 3171 1 10 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.785 0.064 17629 3172 1 10 . 1 1 21 21 GLU C C 21 174.638 174.638 174.640 -0.002 17629 3173 1 10 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.303 -0.758 17629 3174 1 10 . 1 1 21 21 GLU CB C 21 31.708 31.708 32.063 -0.355 17629 3175 1 10 . 1 1 21 21 GLU H H 21 7.453 7.453 8.773 -1.320 17629 3176 1 10 . 1 1 22 22 LEU N N 22 126.694 126.694 125.987 0.707 17629 3177 1 10 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.866 0.489 17629 3178 1 10 . 1 1 22 22 LEU C C 22 173.258 173.258 177.546 -4.288 17629 3179 1 10 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.610 -3.162 17629 3180 1 10 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.616 2.734 17629 3181 1 10 . 1 1 22 22 LEU H H 22 8.765 8.765 8.747 0.018 17629 3182 1 10 . 1 1 23 23 ARG N N 23 123.640 123.640 127.175 -3.535 17629 3183 1 10 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.806 0.370 17629 3184 1 10 . 1 1 23 23 ARG C C 23 176.038 176.038 175.932 0.106 17629 3185 1 10 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.772 1.347 17629 3186 1 10 . 1 1 23 23 ARG H H 23 8.023 8.023 8.856 -0.833 17629 3187 1 10 . 1 1 24 24 LEU N N 24 122.047 122.047 121.453 0.594 17629 3188 1 10 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.408 0.518 17629 3189 1 10 . 1 1 24 24 LEU C C 24 176.320 176.320 175.438 0.882 17629 3190 1 10 . 1 1 24 24 LEU CA C 24 53.589 53.589 54.482 -0.893 17629 3191 1 10 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.449 2.392 17629 3192 1 10 . 1 1 24 24 LEU H H 24 8.686 8.686 7.898 0.788 17629 3193 1 10 . 1 1 25 25 ALA N N 25 127.826 127.826 124.334 3.492 17629 3194 1 10 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.424 0.626 17629 3195 1 10 . 1 1 25 25 ALA C C 25 176.497 176.497 176.330 0.167 17629 3196 1 10 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.254 -0.518 17629 3197 1 10 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.038 1.729 17629 3198 1 10 . 1 1 25 25 ALA H H 25 8.747 8.747 8.359 0.388 17629 3199 1 10 . 1 1 26 26 GLU N N 26 121.396 121.396 120.856 0.540 17629 3200 1 10 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.921 -1.730 17629 3201 1 10 . 1 1 26 26 GLU C C 26 177.095 177.095 174.141 2.954 17629 3202 1 10 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.077 5.378 17629 3203 1 10 . 1 1 26 26 GLU CB C 26 29.440 29.440 32.823 -3.383 17629 3204 1 10 . 1 1 26 26 GLU H H 26 8.756 8.756 8.742 0.014 17629 3205 1 10 . 1 1 27 27 GLY N N 27 115.237 115.237 109.521 5.716 17629 3206 1 10 . 1 1 27 27 GLY C C 27 174.571 174.571 174.646 -0.075 17629 3207 1 10 . 1 1 27 27 GLY CA C 27 44.776 44.776 43.044 1.732 17629 3208 1 10 . 1 1 27 27 GLY H H 27 8.878 8.878 8.471 0.407 17629 3209 1 10 . 1 1 28 28 ASP N N 28 122.805 122.805 125.311 -2.506 17629 3210 1 10 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.636 -0.154 17629 3211 1 10 . 1 1 28 28 ASP C C 28 174.781 174.781 176.846 -2.065 17629 3212 1 10 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.762 2.731 17629 3213 1 10 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.843 3.891 17629 3214 1 10 . 1 1 28 28 ASP H H 28 8.655 8.655 8.859 -0.204 17629 3215 1 10 . 1 1 29 29 ILE N N 29 120.912 120.912 129.573 -8.661 17629 3216 1 10 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.068 0.841 17629 3217 1 10 . 1 1 29 29 ILE C C 29 176.392 176.392 174.935 1.457 17629 3218 1 10 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.764 -6.830 17629 3219 1 10 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.069 -1.459 17629 3220 1 10 . 1 1 29 29 ILE H H 29 8.484 8.484 8.773 -0.289 17629 3221 1 10 . 1 1 30 30 VAL N N 30 118.766 118.766 114.106 4.660 17629 3222 1 10 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.376 0.468 17629 3223 1 10 . 1 1 30 30 VAL C C 30 173.455 173.455 173.504 -0.049 17629 3224 1 10 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.984 -2.849 17629 3225 1 10 . 1 1 30 30 VAL CB C 30 35.470 35.470 33.234 2.236 17629 3226 1 10 . 1 1 30 30 VAL H H 30 8.840 8.840 7.482 1.358 17629 3227 1 10 . 1 1 31 31 PHE N N 31 118.993 118.993 124.575 -5.582 17629 3228 1 10 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.556 0.410 17629 3229 1 10 . 1 1 31 31 PHE C C 31 175.600 175.600 174.590 1.010 17629 3230 1 10 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.107 -1.410 17629 3231 1 10 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.816 1.354 17629 3232 1 10 . 1 1 31 31 PHE H H 31 8.961 8.961 8.660 0.301 17629 3233 1 10 . 1 1 32 32 ILE N N 32 124.714 124.714 126.149 -1.435 17629 3234 1 10 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.464 -0.094 17629 3235 1 10 . 1 1 32 32 ILE C C 32 175.776 175.776 175.644 0.132 17629 3236 1 10 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.457 -1.908 17629 3237 1 10 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.627 -5.593 17629 3238 1 10 . 1 1 32 32 ILE H H 32 9.043 9.043 8.210 0.833 17629 3239 1 10 . 1 1 33 33 SER N N 33 124.251 124.251 115.528 8.723 17629 3240 1 10 . 1 1 33 33 SER HA H 33 4.630 4.630 4.129 0.501 17629 3241 1 10 . 1 1 33 33 SER C C 33 175.353 175.353 174.511 0.842 17629 3242 1 10 . 1 1 33 33 SER CA C 33 59.396 59.396 58.646 0.750 17629 3243 1 10 . 1 1 33 33 SER H H 33 9.128 9.128 8.088 1.040 17629 3244 1 10 . 1 1 34 34 TYR N N 34 114.956 114.956 116.813 -1.857 17629 3245 1 10 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.283 0.565 17629 3246 1 10 . 1 1 34 34 TYR C C 34 172.582 172.582 175.940 -3.358 17629 3247 1 10 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.071 -1.949 17629 3248 1 10 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.468 3.792 17629 3249 1 10 . 1 1 34 34 TYR H H 34 7.457 7.457 8.726 -1.269 17629 3250 1 10 . 1 1 35 35 LYS N N 35 122.237 122.237 115.100 7.137 17629 3251 1 10 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.635 0.964 17629 3252 1 10 . 1 1 35 35 LYS C C 35 175.174 175.174 174.645 0.529 17629 3253 1 10 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.251 -0.504 17629 3254 1 10 . 1 1 35 35 LYS H H 35 8.697 8.697 8.534 0.163 17629 3255 1 10 . 1 1 36 36 HIS N N 36 127.413 127.413 117.416 9.997 17629 3256 1 10 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.835 -0.183 17629 3257 1 10 . 1 1 36 36 HIS C C 36 175.918 175.918 173.818 2.100 17629 3258 1 10 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.635 3.699 17629 3259 1 10 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.957 0.825 17629 3260 1 10 . 1 1 36 36 HIS H H 36 8.122 8.122 7.694 0.428 17629 3261 1 10 . 1 1 37 37 GLY N N 37 105.500 105.500 109.127 -3.627 17629 3262 1 10 . 1 1 37 37 GLY C C 37 174.073 174.073 174.154 -0.081 17629 3263 1 10 . 1 1 37 37 GLY CA C 37 43.784 43.784 43.990 -0.207 17629 3264 1 10 . 1 1 37 37 GLY H H 37 8.000 8.000 9.259 -1.259 17629 3265 1 10 . 1 1 38 38 GLN N N 38 114.228 114.228 123.742 -9.514 17629 3266 1 10 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.585 -0.494 17629 3267 1 10 . 1 1 38 38 GLN C C 38 175.546 175.546 174.844 0.702 17629 3268 1 10 . 1 1 38 38 GLN CA C 38 56.938 56.938 56.155 0.783 17629 3269 1 10 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.327 0.233 17629 3270 1 10 . 1 1 38 38 GLN H H 38 9.025 9.025 7.765 1.260 17629 3271 1 10 . 1 1 39 39 GLY N N 39 104.000 104.000 116.072 -12.072 17629 3272 1 10 . 1 1 39 39 GLY C C 39 174.892 174.892 172.591 2.301 17629 3273 1 10 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.808 2.802 17629 3274 1 10 . 1 1 39 39 GLY H H 39 8.664 8.664 8.979 -0.315 17629 3275 1 10 . 1 1 40 40 TRP N N 40 120.355 120.355 118.993 1.362 17629 3276 1 10 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.484 -0.233 17629 3277 1 10 . 1 1 40 40 TRP C C 40 175.702 175.702 176.474 -0.772 17629 3278 1 10 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.600 1.999 17629 3279 1 10 . 1 1 40 40 TRP CB C 40 33.358 33.358 32.913 0.445 17629 3280 1 10 . 1 1 40 40 TRP H H 40 7.938 7.938 8.323 -0.385 17629 3281 1 10 . 1 1 41 41 LEU N N 41 121.736 121.736 123.227 -1.491 17629 3282 1 10 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.072 0.895 17629 3283 1 10 . 1 1 41 41 LEU C C 41 174.893 174.893 177.360 -2.467 17629 3284 1 10 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.564 -1.625 17629 3285 1 10 . 1 1 41 41 LEU CB C 41 44.656 44.656 42.308 2.348 17629 3286 1 10 . 1 1 41 41 LEU H H 41 9.626 9.626 8.682 0.944 17629 3287 1 10 . 1 1 42 42 VAL N N 42 120.248 120.248 118.917 1.331 17629 3288 1 10 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.756 0.352 17629 3289 1 10 . 1 1 42 42 VAL C C 42 173.905 173.905 177.260 -3.355 17629 3290 1 10 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.895 -1.597 17629 3291 1 10 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.771 -0.009 17629 3292 1 10 . 1 1 42 42 VAL H H 42 8.593 8.593 8.620 -0.027 17629 3293 1 10 . 1 1 43 43 ALA N N 43 130.238 130.238 119.995 10.243 17629 3294 1 10 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.198 1.291 17629 3295 1 10 . 1 1 43 43 ALA C C 43 174.736 174.736 178.292 -3.556 17629 3296 1 10 . 1 1 43 43 ALA CA C 43 49.698 49.698 52.766 -3.068 17629 3297 1 10 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.280 5.846 17629 3298 1 10 . 1 1 43 43 ALA H H 43 9.080 9.080 7.930 1.150 17629 3299 1 10 . 1 1 44 44 GLU N N 44 118.066 118.066 119.951 -1.885 17629 3300 1 10 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.152 1.218 17629 3301 1 10 . 1 1 44 44 GLU C C 44 176.343 176.343 176.283 0.060 17629 3302 1 10 . 1 1 44 44 GLU CA C 44 53.914 53.914 56.870 -2.956 17629 3303 1 10 . 1 1 44 44 GLU H H 44 9.055 9.055 8.204 0.851 17629 3304 1 10 . 1 1 45 45 ASN N N 45 118.721 118.721 117.684 1.037 17629 3305 1 10 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.808 0.012 17629 3306 1 10 . 1 1 45 45 ASN C C 45 175.581 175.581 174.556 1.025 17629 3307 1 10 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.337 -1.336 17629 3308 1 10 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.805 -2.038 17629 3309 1 10 . 1 1 45 45 ASN H H 45 8.342 8.342 8.173 0.169 17629 3310 1 10 . 1 1 46 46 GLU N N 46 120.491 120.491 122.227 -1.736 17629 3311 1 10 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.636 -0.686 17629 3312 1 10 . 1 1 46 46 GLU C C 46 177.658 177.658 174.715 2.943 17629 3313 1 10 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.739 4.399 17629 3314 1 10 . 1 1 46 46 GLU CB C 46 29.508 29.508 32.176 -2.668 17629 3315 1 10 . 1 1 46 46 GLU H H 46 8.521 8.521 8.115 0.406 17629 3316 1 10 . 1 1 47 47 SER N N 47 109.172 109.172 120.534 -11.362 17629 3317 1 10 . 1 1 47 47 SER HA H 47 4.376 4.376 5.102 -0.726 17629 3318 1 10 . 1 1 47 47 SER C C 47 175.760 175.760 173.825 1.935 17629 3319 1 10 . 1 1 47 47 SER CA C 47 58.349 58.349 57.095 1.254 17629 3320 1 10 . 1 1 47 47 SER CB C 47 63.906 63.906 66.680 -2.774 17629 3321 1 10 . 1 1 47 47 SER H H 47 8.029 8.029 8.559 -0.530 17629 3322 1 10 . 1 1 48 48 GLY N N 48 112.365 112.365 110.073 2.292 17629 3323 1 10 . 1 1 48 48 GLY C C 48 174.289 174.289 171.812 2.477 17629 3324 1 10 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.446 0.500 17629 3325 1 10 . 1 1 48 48 GLY H H 48 8.002 8.002 9.070 -1.068 17629 3326 1 10 . 1 1 49 49 SER N N 49 116.280 116.280 115.376 0.904 17629 3327 1 10 . 1 1 49 49 SER HA H 49 4.387 4.387 5.011 -0.624 17629 3328 1 10 . 1 1 49 49 SER C C 49 174.474 174.474 174.253 0.221 17629 3329 1 10 . 1 1 49 49 SER CA C 49 58.778 58.778 57.867 0.911 17629 3330 1 10 . 1 1 49 49 SER CB C 49 64.138 64.138 64.606 -0.468 17629 3331 1 10 . 1 1 49 49 SER H H 49 8.529 8.529 8.093 0.436 17629 3332 1 10 . 1 1 50 50 LYS N N 50 122.336 122.336 117.122 5.214 17629 3333 1 10 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.264 -0.587 17629 3334 1 10 . 1 1 50 50 LYS C C 50 173.788 173.788 173.952 -0.164 17629 3335 1 10 . 1 1 50 50 LYS CA C 50 55.921 55.921 51.887 4.034 17629 3336 1 10 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.008 1.655 17629 3337 1 10 . 1 1 50 50 LYS H H 50 7.879 7.879 9.311 -1.432 17629 3338 1 10 . 1 1 51 51 THR HA H 51 5.465 5.465 4.031 1.434 17629 3339 1 10 . 1 1 51 51 THR C C 51 173.478 173.478 173.968 -0.490 17629 3340 1 10 . 1 1 51 51 THR CA C 51 59.703 59.703 61.435 -1.732 17629 3341 1 10 . 1 1 51 51 THR CB C 51 71.505 71.505 69.397 2.108 17629 3342 1 10 . 1 1 52 52 GLY N N 52 110.609 110.609 110.818 -0.209 17629 3343 1 10 . 1 1 52 52 GLY C C 52 170.386 170.386 176.819 -6.433 17629 3344 1 10 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.876 -1.499 17629 3345 1 10 . 1 1 52 52 GLY H H 52 9.039 9.039 8.240 0.799 17629 3346 1 10 . 1 1 53 53 LEU N N 53 120.239 120.239 119.175 1.064 17629 3347 1 10 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.293 0.906 17629 3348 1 10 . 1 1 53 53 LEU C C 53 177.929 177.929 177.302 0.627 17629 3349 1 10 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.101 -1.483 17629 3350 1 10 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.698 2.346 17629 3351 1 10 . 1 1 53 53 LEU H H 53 9.169 9.169 8.431 0.738 17629 3352 1 10 . 1 1 54 54 VAL N N 54 111.925 111.925 115.757 -3.832 17629 3353 1 10 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.525 0.315 17629 3354 1 10 . 1 1 54 54 VAL C C 54 172.319 172.319 174.264 -1.945 17629 3355 1 10 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.483 -3.293 17629 3356 1 10 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.074 1.128 17629 3357 1 10 . 1 1 54 54 VAL H H 54 9.191 9.191 7.790 1.401 17629 3358 1 10 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.341 -1.228 17629 3359 1 10 . 1 1 55 55 PRO C C 55 178.107 178.107 175.827 2.280 17629 3360 1 10 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.396 0.640 17629 3361 1 10 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.730 -4.300 17629 3362 1 10 . 1 1 56 56 GLU N N 56 126.923 126.923 120.705 6.218 17629 3363 1 10 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.749 -0.993 17629 3364 1 10 . 1 1 56 56 GLU C C 56 177.586 177.586 176.264 1.322 17629 3365 1 10 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.657 4.395 17629 3366 1 10 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.572 -1.359 17629 3367 1 10 . 1 1 56 56 GLU H H 56 8.503 8.503 8.814 -0.311 17629 3368 1 10 . 1 1 57 57 GLU N N 57 113.138 113.138 127.481 -14.343 17629 3369 1 10 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.154 0.181 17629 3370 1 10 . 1 1 57 57 GLU C C 57 175.950 175.950 177.111 -1.161 17629 3371 1 10 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.153 -0.519 17629 3372 1 10 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.690 0.125 17629 3373 1 10 . 1 1 57 57 GLU H H 57 8.743 8.743 8.996 -0.253 17629 3374 1 10 . 1 1 58 58 PHE N N 58 116.994 116.994 124.147 -7.153 17629 3375 1 10 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.621 0.166 17629 3376 1 10 . 1 1 58 58 PHE C C 58 174.773 174.773 174.697 0.076 17629 3377 1 10 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.102 -1.431 17629 3378 1 10 . 1 1 58 58 PHE H H 58 8.002 8.002 7.963 0.039 17629 3379 1 10 . 1 1 59 59 VAL N N 59 110.037 110.037 122.097 -12.060 17629 3380 1 10 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.450 0.960 17629 3381 1 10 . 1 1 59 59 VAL C C 59 173.781 173.781 174.304 -0.523 17629 3382 1 10 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.864 -1.942 17629 3383 1 10 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.416 0.756 17629 3384 1 10 . 1 1 59 59 VAL H H 59 7.328 7.328 8.265 -0.937 17629 3385 1 10 . 1 1 60 60 SER HA H 60 4.711 4.711 4.431 0.280 17629 3386 1 10 . 1 1 60 60 SER C C 60 174.901 174.901 174.303 0.598 17629 3387 1 10 . 1 1 60 60 SER CA C 60 55.416 55.416 59.776 -4.360 17629 3388 1 10 . 1 1 60 60 SER CB C 60 64.846 64.846 63.935 0.911 17629 3389 1 10 . 1 1 61 61 TYR N N 61 126.709 126.709 116.699 10.010 17629 3390 1 10 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.688 -0.114 17629 3391 1 10 . 1 1 61 61 TYR C C 61 176.232 176.232 173.920 2.312 17629 3392 1 10 . 1 1 61 61 TYR CA C 61 59.240 59.240 57.774 1.466 17629 3393 1 10 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.702 -0.716 17629 3394 1 10 . 1 1 61 61 TYR H H 61 8.560 8.560 8.238 0.322 17629 3395 1 10 . 1 1 62 62 ILE N N 62 122.059 122.059 119.676 2.383 17629 3396 1 10 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.519 -0.276 17629 3397 1 10 . 1 1 62 62 ILE C C 62 175.812 175.812 175.112 0.700 17629 3398 1 10 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.336 0.294 17629 3399 1 10 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.345 -0.185 17629 3400 1 10 . 1 1 62 62 ILE H H 62 8.303 8.303 7.702 0.601 17629 3401 1 11 . 1 1 2 2 LYS N N 2 125.410 125.410 123.847 1.563 17629 3402 1 11 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.564 -0.446 17629 3403 1 11 . 1 1 2 2 LYS C C 2 176.439 176.439 176.176 0.263 17629 3404 1 11 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.001 0.572 17629 3405 1 11 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.658 -0.458 17629 3406 1 11 . 1 1 2 2 LYS H H 2 8.079 8.079 7.773 0.306 17629 3407 1 11 . 1 1 3 3 PHE N N 3 123.092 123.092 125.328 -2.236 17629 3408 1 11 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.137 -0.716 17629 3409 1 11 . 1 1 3 3 PHE C C 3 175.856 175.856 174.917 0.939 17629 3410 1 11 . 1 1 3 3 PHE CA C 3 61.665 61.665 61.096 0.570 17629 3411 1 11 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.310 -0.699 17629 3412 1 11 . 1 1 3 3 PHE H H 3 8.251 8.251 8.810 -0.559 17629 3413 1 11 . 1 1 4 4 ILE N N 4 125.149 125.149 118.425 6.724 17629 3414 1 11 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.612 -0.397 17629 3415 1 11 . 1 1 4 4 ILE C C 4 175.190 175.190 172.869 2.321 17629 3416 1 11 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.534 1.245 17629 3417 1 11 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.680 -2.148 17629 3418 1 11 . 1 1 4 4 ILE H H 4 7.775 7.775 8.782 -1.007 17629 3419 1 11 . 1 1 5 5 PRO N N 5 121.258 121.258 118.993 2.265 17629 3420 1 11 . 1 1 5 5 PRO HA H 5 3.759 3.759 4.962 -1.203 17629 3421 1 11 . 1 1 5 5 PRO C C 5 174.455 174.455 173.458 0.997 17629 3422 1 11 . 1 1 5 5 PRO CA C 5 53.340 53.340 50.333 3.007 17629 3423 1 11 . 1 1 5 5 PRO CB C 5 37.870 37.870 43.002 -5.132 17629 3424 1 11 . 1 1 5 5 PRO H H 5 8.238 8.238 8.458 -0.220 17629 3425 1 11 . 1 1 6 6 SER N N 6 118.930 118.930 126.173 -7.243 17629 3426 1 11 . 1 1 6 6 SER HA H 6 4.439 4.439 4.779 -0.340 17629 3427 1 11 . 1 1 6 6 SER C C 6 174.756 174.756 176.009 -1.253 17629 3428 1 11 . 1 1 6 6 SER CA C 6 55.269 55.269 54.696 0.573 17629 3429 1 11 . 1 1 6 6 SER CB C 6 31.970 31.970 28.370 3.600 17629 3430 1 11 . 1 1 6 6 SER H H 6 9.042 9.042 8.687 0.355 17629 3431 1 11 . 1 1 7 7 ARG N N 7 124.908 124.908 125.095 -0.187 17629 3432 1 11 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.856 1.142 17629 3433 1 11 . 1 1 7 7 ARG C C 7 175.313 175.313 175.624 -0.311 17629 3434 1 11 . 1 1 7 7 ARG CA C 7 56.469 56.469 58.260 -1.790 17629 3435 1 11 . 1 1 7 7 ARG CB C 7 32.540 32.540 29.958 2.582 17629 3436 1 11 . 1 1 7 7 ARG H H 7 7.601 7.601 8.660 -1.059 17629 3437 1 11 . 1 1 8 8 ALA N N 8 126.210 126.210 116.146 10.064 17629 3438 1 11 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.327 0.663 17629 3439 1 11 . 1 1 8 8 ALA C C 8 173.314 173.314 176.079 -2.765 17629 3440 1 11 . 1 1 8 8 ALA CA C 8 50.770 50.770 48.967 1.803 17629 3441 1 11 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.246 1.969 17629 3442 1 11 . 1 1 8 8 ALA H H 8 9.198 9.198 7.141 2.057 17629 3443 1 11 . 1 1 9 9 ALA N N 9 117.480 117.480 118.892 -1.412 17629 3444 1 11 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.513 -0.909 17629 3445 1 11 . 1 1 9 9 ALA C C 9 174.805 174.805 175.067 -0.262 17629 3446 1 11 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.489 -4.664 17629 3447 1 11 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.364 2.793 17629 3448 1 11 . 1 1 9 9 ALA H H 9 8.571 8.571 7.925 0.646 17629 3449 1 11 . 1 1 10 10 PRO N N 10 127.491 127.491 125.085 2.406 17629 3450 1 11 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.847 -0.378 17629 3451 1 11 . 1 1 10 10 PRO C C 10 178.703 178.703 175.136 3.567 17629 3452 1 11 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.104 0.717 17629 3453 1 11 . 1 1 10 10 PRO CB C 10 20.197 20.197 22.942 -2.745 17629 3454 1 11 . 1 1 10 10 PRO H H 10 9.208 9.208 8.701 0.507 17629 3455 1 11 . 1 1 11 11 LYS N N 11 127.224 127.224 126.315 0.909 17629 3456 1 11 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.485 0.062 17629 3457 1 11 . 1 1 11 11 LYS C C 11 175.084 175.084 173.866 1.218 17629 3458 1 11 . 1 1 11 11 LYS CA C 11 55.345 55.345 50.678 4.667 17629 3459 1 11 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.495 -0.058 17629 3460 1 11 . 1 1 11 11 LYS H H 11 8.270 8.270 7.766 0.504 17629 3461 1 11 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.634 -0.879 17629 3462 1 11 . 1 1 12 12 PRO C C 12 173.503 173.503 174.299 -0.796 17629 3463 1 11 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.935 2.852 17629 3464 1 11 . 1 1 13 13 PRO N N 13 117.819 117.819 121.071 -3.252 17629 3465 1 11 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.390 -0.072 17629 3466 1 11 . 1 1 13 13 PRO C C 13 175.940 175.940 175.578 0.362 17629 3467 1 11 . 1 1 13 13 PRO CA C 13 54.569 54.569 54.930 -0.361 17629 3468 1 11 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.359 0.130 17629 3469 1 11 . 1 1 13 13 PRO H H 13 8.361 8.361 8.687 -0.326 17629 3470 1 11 . 1 1 14 14 SER N N 14 122.300 122.300 118.320 3.980 17629 3471 1 11 . 1 1 14 14 SER HA H 14 4.361 4.361 4.598 -0.237 17629 3472 1 11 . 1 1 14 14 SER C C 14 172.522 172.522 175.027 -2.505 17629 3473 1 11 . 1 1 14 14 SER CA C 14 56.389 56.389 57.161 -0.772 17629 3474 1 11 . 1 1 14 14 SER CB C 14 42.864 42.864 40.308 2.556 17629 3475 1 11 . 1 1 14 14 SER H H 14 8.138 8.138 7.794 0.344 17629 3476 1 11 . 1 1 15 15 GLU N N 15 128.991 128.991 119.009 9.982 17629 3477 1 11 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.417 0.270 17629 3478 1 11 . 1 1 15 15 GLU C C 15 172.941 172.941 175.487 -2.546 17629 3479 1 11 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.291 -5.876 17629 3480 1 11 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.072 1.118 17629 3481 1 11 . 1 1 15 15 GLU H H 15 8.234 8.234 8.602 -0.368 17629 3482 1 11 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.324 -0.023 17629 3483 1 11 . 1 1 16 16 ALA C C 16 177.175 177.175 175.974 1.201 17629 3484 1 11 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.655 -0.056 17629 3485 1 11 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.755 1.730 17629 3486 1 11 . 1 1 16 16 ALA H H 16 8.263 8.263 7.906 0.357 17629 3487 1 11 . 1 1 17 17 GLU N N 17 119.882 119.882 120.375 -0.493 17629 3488 1 11 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.703 -0.324 17629 3489 1 11 . 1 1 17 17 GLU C C 17 175.065 175.065 174.868 0.197 17629 3490 1 11 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.557 0.024 17629 3491 1 11 . 1 1 17 17 GLU CB C 17 31.777 31.777 31.896 -0.119 17629 3492 1 11 . 1 1 17 17 GLU H H 17 8.952 8.952 7.480 1.472 17629 3493 1 11 . 1 1 18 18 ASN N N 18 114.565 114.565 119.363 -4.798 17629 3494 1 11 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.080 -0.210 17629 3495 1 11 . 1 1 18 18 ASN C C 18 175.256 175.256 174.487 0.769 17629 3496 1 11 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.954 -0.004 17629 3497 1 11 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.543 1.903 17629 3498 1 11 . 1 1 18 18 ASN H H 18 7.177 7.177 8.699 -1.522 17629 3499 1 11 . 1 1 19 19 ASP N N 19 120.622 120.622 120.524 0.098 17629 3500 1 11 . 1 1 19 19 ASP HA H 19 4.512 4.512 5.020 -0.508 17629 3501 1 11 . 1 1 19 19 ASP C C 19 175.848 175.848 175.332 0.516 17629 3502 1 11 . 1 1 19 19 ASP CA C 19 56.450 56.450 53.386 3.064 17629 3503 1 11 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.965 -1.306 17629 3504 1 11 . 1 1 19 19 ASP H H 19 8.753 8.753 8.407 0.346 17629 3505 1 11 . 1 1 20 20 ASN N N 20 115.197 115.197 119.647 -4.450 17629 3506 1 11 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.130 -0.365 17629 3507 1 11 . 1 1 20 20 ASN C C 20 174.017 174.017 173.557 0.460 17629 3508 1 11 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.118 -5.700 17629 3509 1 11 . 1 1 20 20 ASN H H 20 8.124 8.124 9.351 -1.227 17629 3510 1 11 . 1 1 21 21 GLU N N 21 119.591 119.591 122.867 -3.276 17629 3511 1 11 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.669 0.180 17629 3512 1 11 . 1 1 21 21 GLU C C 21 174.638 174.638 174.581 0.057 17629 3513 1 11 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.059 -0.514 17629 3514 1 11 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.569 0.139 17629 3515 1 11 . 1 1 21 21 GLU H H 21 7.453 7.453 8.318 -0.865 17629 3516 1 11 . 1 1 22 22 LEU N N 22 126.694 126.694 126.591 0.103 17629 3517 1 11 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.912 0.443 17629 3518 1 11 . 1 1 22 22 LEU C C 22 173.258 173.258 178.058 -4.800 17629 3519 1 11 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.456 -3.008 17629 3520 1 11 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.551 2.799 17629 3521 1 11 . 1 1 22 22 LEU H H 22 8.765 8.765 8.829 -0.064 17629 3522 1 11 . 1 1 23 23 ARG N N 23 123.640 123.640 127.877 -4.237 17629 3523 1 11 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.847 0.329 17629 3524 1 11 . 1 1 23 23 ARG C C 23 176.038 176.038 175.601 0.437 17629 3525 1 11 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.738 1.381 17629 3526 1 11 . 1 1 23 23 ARG H H 23 8.023 8.023 8.870 -0.847 17629 3527 1 11 . 1 1 24 24 LEU N N 24 122.047 122.047 122.416 -0.369 17629 3528 1 11 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.528 0.398 17629 3529 1 11 . 1 1 24 24 LEU C C 24 176.320 176.320 175.938 0.382 17629 3530 1 11 . 1 1 24 24 LEU CA C 24 53.589 53.589 54.827 -1.238 17629 3531 1 11 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.115 2.725 17629 3532 1 11 . 1 1 24 24 LEU H H 24 8.686 8.686 8.242 0.444 17629 3533 1 11 . 1 1 25 25 ALA N N 25 127.826 127.826 123.343 4.483 17629 3534 1 11 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.794 0.256 17629 3535 1 11 . 1 1 25 25 ALA C C 25 176.497 176.497 177.056 -0.559 17629 3536 1 11 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.351 -0.615 17629 3537 1 11 . 1 1 25 25 ALA CB C 25 20.767 20.767 20.077 0.690 17629 3538 1 11 . 1 1 25 25 ALA H H 25 8.747 8.747 8.220 0.527 17629 3539 1 11 . 1 1 26 26 GLU N N 26 121.396 121.396 116.789 4.607 17629 3540 1 11 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.779 -1.588 17629 3541 1 11 . 1 1 26 26 GLU C C 26 177.095 177.095 173.775 3.320 17629 3542 1 11 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.017 5.438 17629 3543 1 11 . 1 1 26 26 GLU CB C 26 29.440 29.440 32.725 -3.285 17629 3544 1 11 . 1 1 26 26 GLU H H 26 8.756 8.756 8.845 -0.089 17629 3545 1 11 . 1 1 27 27 GLY N N 27 115.237 115.237 108.748 6.489 17629 3546 1 11 . 1 1 27 27 GLY C C 27 174.571 174.571 174.765 -0.194 17629 3547 1 11 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.893 1.883 17629 3548 1 11 . 1 1 27 27 GLY H H 27 8.878 8.878 8.399 0.479 17629 3549 1 11 . 1 1 28 28 ASP N N 28 122.805 122.805 125.558 -2.753 17629 3550 1 11 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.653 -0.171 17629 3551 1 11 . 1 1 28 28 ASP C C 28 174.781 174.781 176.985 -2.204 17629 3552 1 11 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.934 2.559 17629 3553 1 11 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.871 3.863 17629 3554 1 11 . 1 1 28 28 ASP H H 28 8.655 8.655 8.961 -0.306 17629 3555 1 11 . 1 1 29 29 ILE N N 29 120.912 120.912 129.149 -8.237 17629 3556 1 11 . 1 1 29 29 ILE HA H 29 4.909 4.909 3.945 0.964 17629 3557 1 11 . 1 1 29 29 ILE C C 29 176.392 176.392 175.132 1.260 17629 3558 1 11 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.056 -6.121 17629 3559 1 11 . 1 1 29 29 ILE CB C 29 37.610 37.610 38.982 -1.372 17629 3560 1 11 . 1 1 29 29 ILE H H 29 8.484 8.484 8.668 -0.184 17629 3561 1 11 . 1 1 30 30 VAL N N 30 118.766 118.766 114.563 4.203 17629 3562 1 11 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.354 0.490 17629 3563 1 11 . 1 1 30 30 VAL C C 30 173.455 173.455 173.434 0.021 17629 3564 1 11 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.950 -2.816 17629 3565 1 11 . 1 1 30 30 VAL CB C 30 35.470 35.470 33.211 2.259 17629 3566 1 11 . 1 1 30 30 VAL H H 30 8.840 8.840 7.403 1.437 17629 3567 1 11 . 1 1 31 31 PHE N N 31 118.993 118.993 124.598 -5.605 17629 3568 1 11 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.574 0.392 17629 3569 1 11 . 1 1 31 31 PHE C C 31 175.600 175.600 174.567 1.033 17629 3570 1 11 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.045 -1.348 17629 3571 1 11 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.836 1.334 17629 3572 1 11 . 1 1 31 31 PHE H H 31 8.961 8.961 8.667 0.294 17629 3573 1 11 . 1 1 32 32 ILE N N 32 124.714 124.714 126.239 -1.525 17629 3574 1 11 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.471 -0.101 17629 3575 1 11 . 1 1 32 32 ILE C C 32 175.776 175.776 175.594 0.182 17629 3576 1 11 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.443 -1.894 17629 3577 1 11 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.669 -5.634 17629 3578 1 11 . 1 1 32 32 ILE H H 32 9.043 9.043 8.213 0.830 17629 3579 1 11 . 1 1 33 33 SER N N 33 124.251 124.251 115.484 8.767 17629 3580 1 11 . 1 1 33 33 SER HA H 33 4.630 4.630 4.116 0.514 17629 3581 1 11 . 1 1 33 33 SER C C 33 175.353 175.353 174.289 1.064 17629 3582 1 11 . 1 1 33 33 SER CA C 33 59.396 59.396 58.577 0.819 17629 3583 1 11 . 1 1 33 33 SER H H 33 9.128 9.128 8.062 1.066 17629 3584 1 11 . 1 1 34 34 TYR N N 34 114.956 114.956 116.581 -1.625 17629 3585 1 11 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.266 0.582 17629 3586 1 11 . 1 1 34 34 TYR C C 34 172.582 172.582 175.704 -3.122 17629 3587 1 11 . 1 1 34 34 TYR CA C 34 57.122 57.122 58.804 -1.683 17629 3588 1 11 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.944 3.316 17629 3589 1 11 . 1 1 34 34 TYR H H 34 7.457 7.457 8.707 -1.250 17629 3590 1 11 . 1 1 35 35 LYS N N 35 122.237 122.237 114.384 7.853 17629 3591 1 11 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.666 0.933 17629 3592 1 11 . 1 1 35 35 LYS C C 35 175.174 175.174 174.920 0.254 17629 3593 1 11 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.079 -0.332 17629 3594 1 11 . 1 1 35 35 LYS H H 35 8.697 8.697 8.439 0.258 17629 3595 1 11 . 1 1 36 36 HIS N N 36 127.413 127.413 117.523 9.890 17629 3596 1 11 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.850 -0.198 17629 3597 1 11 . 1 1 36 36 HIS C C 36 175.918 175.918 173.856 2.062 17629 3598 1 11 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.672 3.662 17629 3599 1 11 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.895 0.887 17629 3600 1 11 . 1 1 36 36 HIS H H 36 8.122 8.122 7.685 0.437 17629 3601 1 11 . 1 1 37 37 GLY N N 37 105.500 105.500 108.667 -3.167 17629 3602 1 11 . 1 1 37 37 GLY C C 37 174.073 174.073 174.293 -0.220 17629 3603 1 11 . 1 1 37 37 GLY CA C 37 43.784 43.784 43.971 -0.187 17629 3604 1 11 . 1 1 37 37 GLY H H 37 8.000 8.000 9.287 -1.287 17629 3605 1 11 . 1 1 38 38 GLN N N 38 114.228 114.228 123.316 -9.088 17629 3606 1 11 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.674 -0.583 17629 3607 1 11 . 1 1 38 38 GLN C C 38 175.546 175.546 174.736 0.810 17629 3608 1 11 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.919 1.019 17629 3609 1 11 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.788 -0.228 17629 3610 1 11 . 1 1 38 38 GLN H H 38 9.025 9.025 7.802 1.223 17629 3611 1 11 . 1 1 39 39 GLY N N 39 104.000 104.000 116.066 -12.066 17629 3612 1 11 . 1 1 39 39 GLY C C 39 174.892 174.892 172.730 2.162 17629 3613 1 11 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.782 2.828 17629 3614 1 11 . 1 1 39 39 GLY H H 39 8.664 8.664 8.915 -0.251 17629 3615 1 11 . 1 1 40 40 TRP N N 40 120.355 120.355 119.856 0.499 17629 3616 1 11 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.543 -0.292 17629 3617 1 11 . 1 1 40 40 TRP C C 40 175.702 175.702 176.545 -0.843 17629 3618 1 11 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.586 2.013 17629 3619 1 11 . 1 1 40 40 TRP CB C 40 33.358 33.358 32.846 0.512 17629 3620 1 11 . 1 1 40 40 TRP H H 40 7.938 7.938 8.282 -0.344 17629 3621 1 11 . 1 1 41 41 LEU N N 41 121.736 121.736 122.658 -0.922 17629 3622 1 11 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.040 0.927 17629 3623 1 11 . 1 1 41 41 LEU C C 41 174.893 174.893 177.688 -2.795 17629 3624 1 11 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.476 -1.537 17629 3625 1 11 . 1 1 41 41 LEU CB C 41 44.656 44.656 42.391 2.265 17629 3626 1 11 . 1 1 41 41 LEU H H 41 9.626 9.626 8.796 0.830 17629 3627 1 11 . 1 1 42 42 VAL N N 42 120.248 120.248 119.179 1.069 17629 3628 1 11 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.679 0.429 17629 3629 1 11 . 1 1 42 42 VAL C C 42 173.905 173.905 177.255 -3.350 17629 3630 1 11 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.767 -1.468 17629 3631 1 11 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.354 0.408 17629 3632 1 11 . 1 1 42 42 VAL H H 42 8.593 8.593 8.505 0.088 17629 3633 1 11 . 1 1 43 43 ALA N N 43 130.238 130.238 120.438 9.800 17629 3634 1 11 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.227 1.262 17629 3635 1 11 . 1 1 43 43 ALA C C 43 174.736 174.736 178.402 -3.666 17629 3636 1 11 . 1 1 43 43 ALA CA C 43 49.698 49.698 52.577 -2.879 17629 3637 1 11 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.295 5.831 17629 3638 1 11 . 1 1 43 43 ALA H H 43 9.080 9.080 7.871 1.209 17629 3639 1 11 . 1 1 44 44 GLU N N 44 118.066 118.066 120.199 -2.133 17629 3640 1 11 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.181 1.189 17629 3641 1 11 . 1 1 44 44 GLU C C 44 176.343 176.343 176.152 0.191 17629 3642 1 11 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.125 -3.211 17629 3643 1 11 . 1 1 44 44 GLU H H 44 9.055 9.055 8.286 0.769 17629 3644 1 11 . 1 1 45 45 ASN N N 45 118.721 118.721 117.020 1.701 17629 3645 1 11 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.762 0.058 17629 3646 1 11 . 1 1 45 45 ASN C C 45 175.581 175.581 174.285 1.296 17629 3647 1 11 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.243 -1.242 17629 3648 1 11 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.997 -2.230 17629 3649 1 11 . 1 1 45 45 ASN H H 45 8.342 8.342 8.277 0.065 17629 3650 1 11 . 1 1 46 46 GLU N N 46 120.491 120.491 123.728 -3.237 17629 3651 1 11 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.608 -0.658 17629 3652 1 11 . 1 1 46 46 GLU C C 46 177.658 177.658 174.475 3.183 17629 3653 1 11 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.741 4.397 17629 3654 1 11 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.670 -2.162 17629 3655 1 11 . 1 1 46 46 GLU H H 46 8.521 8.521 8.140 0.381 17629 3656 1 11 . 1 1 47 47 SER N N 47 109.172 109.172 121.682 -12.510 17629 3657 1 11 . 1 1 47 47 SER HA H 47 4.376 4.376 5.105 -0.729 17629 3658 1 11 . 1 1 47 47 SER C C 47 175.760 175.760 173.742 2.018 17629 3659 1 11 . 1 1 47 47 SER CA C 47 58.349 58.349 57.067 1.282 17629 3660 1 11 . 1 1 47 47 SER CB C 47 63.906 63.906 66.637 -2.731 17629 3661 1 11 . 1 1 47 47 SER H H 47 8.029 8.029 8.608 -0.579 17629 3662 1 11 . 1 1 48 48 GLY N N 48 112.365 112.365 110.691 1.674 17629 3663 1 11 . 1 1 48 48 GLY C C 48 174.289 174.289 171.828 2.461 17629 3664 1 11 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.442 0.504 17629 3665 1 11 . 1 1 48 48 GLY H H 48 8.002 8.002 8.802 -0.800 17629 3666 1 11 . 1 1 49 49 SER N N 49 116.280 116.280 115.346 0.934 17629 3667 1 11 . 1 1 49 49 SER HA H 49 4.387 4.387 5.145 -0.758 17629 3668 1 11 . 1 1 49 49 SER C C 49 174.474 174.474 174.519 -0.045 17629 3669 1 11 . 1 1 49 49 SER CA C 49 58.778 58.778 57.574 1.204 17629 3670 1 11 . 1 1 49 49 SER CB C 49 64.138 64.138 65.192 -1.054 17629 3671 1 11 . 1 1 49 49 SER H H 49 8.529 8.529 8.123 0.406 17629 3672 1 11 . 1 1 50 50 LYS N N 50 122.336 122.336 115.252 7.084 17629 3673 1 11 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.246 -0.569 17629 3674 1 11 . 1 1 50 50 LYS C C 50 173.788 173.788 173.949 -0.161 17629 3675 1 11 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.128 3.793 17629 3676 1 11 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.497 1.165 17629 3677 1 11 . 1 1 50 50 LYS H H 50 7.879 7.879 9.368 -1.489 17629 3678 1 11 . 1 1 51 51 THR HA H 51 5.465 5.465 4.047 1.418 17629 3679 1 11 . 1 1 51 51 THR C C 51 173.478 173.478 173.728 -0.250 17629 3680 1 11 . 1 1 51 51 THR CA C 51 59.703 59.703 61.347 -1.644 17629 3681 1 11 . 1 1 51 51 THR CB C 51 71.505 71.505 69.132 2.373 17629 3682 1 11 . 1 1 52 52 GLY N N 52 110.609 110.609 111.360 -0.751 17629 3683 1 11 . 1 1 52 52 GLY C C 52 170.386 170.386 176.058 -5.672 17629 3684 1 11 . 1 1 52 52 GLY CA C 52 45.377 45.377 47.028 -1.651 17629 3685 1 11 . 1 1 52 52 GLY H H 52 9.039 9.039 8.239 0.800 17629 3686 1 11 . 1 1 53 53 LEU N N 53 120.239 120.239 118.518 1.721 17629 3687 1 11 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.335 0.864 17629 3688 1 11 . 1 1 53 53 LEU C C 53 177.929 177.929 176.793 1.136 17629 3689 1 11 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.131 -1.513 17629 3690 1 11 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.626 2.418 17629 3691 1 11 . 1 1 53 53 LEU H H 53 9.169 9.169 8.472 0.697 17629 3692 1 11 . 1 1 54 54 VAL N N 54 111.925 111.925 116.215 -4.290 17629 3693 1 11 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.415 0.425 17629 3694 1 11 . 1 1 54 54 VAL C C 54 172.319 172.319 174.630 -2.311 17629 3695 1 11 . 1 1 54 54 VAL CA C 54 57.190 57.190 61.310 -4.120 17629 3696 1 11 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.657 0.545 17629 3697 1 11 . 1 1 54 54 VAL H H 54 9.191 9.191 7.607 1.584 17629 3698 1 11 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.419 -1.306 17629 3699 1 11 . 1 1 55 55 PRO C C 55 178.107 178.107 176.185 1.922 17629 3700 1 11 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.256 0.780 17629 3701 1 11 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.090 -3.660 17629 3702 1 11 . 1 1 56 56 GLU N N 56 126.923 126.923 120.739 6.184 17629 3703 1 11 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.662 -0.906 17629 3704 1 11 . 1 1 56 56 GLU C C 56 177.586 177.586 176.181 1.405 17629 3705 1 11 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.646 4.406 17629 3706 1 11 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.558 -1.345 17629 3707 1 11 . 1 1 56 56 GLU H H 56 8.503 8.503 8.594 -0.091 17629 3708 1 11 . 1 1 57 57 GLU N N 57 113.138 113.138 127.621 -14.483 17629 3709 1 11 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.290 0.045 17629 3710 1 11 . 1 1 57 57 GLU C C 57 175.950 175.950 177.096 -1.146 17629 3711 1 11 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.169 -0.535 17629 3712 1 11 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.627 0.188 17629 3713 1 11 . 1 1 57 57 GLU H H 57 8.743 8.743 8.972 -0.229 17629 3714 1 11 . 1 1 58 58 PHE N N 58 116.994 116.994 123.597 -6.603 17629 3715 1 11 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.684 0.103 17629 3716 1 11 . 1 1 58 58 PHE C C 58 174.773 174.773 175.042 -0.269 17629 3717 1 11 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.291 -1.621 17629 3718 1 11 . 1 1 58 58 PHE H H 58 8.002 8.002 8.010 -0.008 17629 3719 1 11 . 1 1 59 59 VAL N N 59 110.037 110.037 123.047 -13.010 17629 3720 1 11 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.408 1.002 17629 3721 1 11 . 1 1 59 59 VAL C C 59 173.781 173.781 174.327 -0.546 17629 3722 1 11 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.878 -1.956 17629 3723 1 11 . 1 1 59 59 VAL CB C 59 35.172 35.172 31.523 3.649 17629 3724 1 11 . 1 1 59 59 VAL H H 59 7.328 7.328 8.290 -0.962 17629 3725 1 11 . 1 1 60 60 SER HA H 60 4.711 4.711 4.356 0.355 17629 3726 1 11 . 1 1 60 60 SER C C 60 174.901 174.901 174.415 0.486 17629 3727 1 11 . 1 1 60 60 SER CA C 60 55.416 55.416 59.810 -4.394 17629 3728 1 11 . 1 1 60 60 SER CB C 60 64.846 64.846 63.666 1.180 17629 3729 1 11 . 1 1 61 61 TYR N N 61 126.709 126.709 116.547 10.162 17629 3730 1 11 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.621 -0.047 17629 3731 1 11 . 1 1 61 61 TYR C C 61 176.232 176.232 174.509 1.723 17629 3732 1 11 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.137 1.103 17629 3733 1 11 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.139 -0.153 17629 3734 1 11 . 1 1 61 61 TYR H H 61 8.560 8.560 8.121 0.439 17629 3735 1 11 . 1 1 62 62 ILE N N 62 122.059 122.059 119.534 2.525 17629 3736 1 11 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.757 -0.514 17629 3737 1 11 . 1 1 62 62 ILE C C 62 175.812 175.812 175.739 0.073 17629 3738 1 11 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.629 0.001 17629 3739 1 11 . 1 1 62 62 ILE CB C 62 39.160 39.160 40.424 -1.264 17629 3740 1 11 . 1 1 62 62 ILE H H 62 8.303 8.303 7.960 0.343 17629 3741 1 12 . 1 1 2 2 LYS N N 2 125.410 125.410 123.850 1.560 17629 3742 1 12 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.528 -0.410 17629 3743 1 12 . 1 1 2 2 LYS C C 2 176.439 176.439 176.183 0.256 17629 3744 1 12 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.201 0.372 17629 3745 1 12 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.713 -0.513 17629 3746 1 12 . 1 1 2 2 LYS H H 2 8.079 8.079 7.813 0.266 17629 3747 1 12 . 1 1 3 3 PHE N N 3 123.092 123.092 125.283 -2.191 17629 3748 1 12 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.006 -0.585 17629 3749 1 12 . 1 1 3 3 PHE C C 3 175.856 175.856 174.861 0.995 17629 3750 1 12 . 1 1 3 3 PHE CA C 3 61.665 61.665 61.218 0.448 17629 3751 1 12 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.235 -0.624 17629 3752 1 12 . 1 1 3 3 PHE H H 3 8.251 8.251 8.823 -0.572 17629 3753 1 12 . 1 1 4 4 ILE N N 4 125.149 125.149 119.252 5.897 17629 3754 1 12 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.638 -0.423 17629 3755 1 12 . 1 1 4 4 ILE C C 4 175.190 175.190 172.879 2.311 17629 3756 1 12 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.432 1.347 17629 3757 1 12 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.698 -2.166 17629 3758 1 12 . 1 1 4 4 ILE H H 4 7.775 7.775 8.828 -1.053 17629 3759 1 12 . 1 1 5 5 PRO N N 5 121.258 121.258 118.880 2.378 17629 3760 1 12 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.214 -1.455 17629 3761 1 12 . 1 1 5 5 PRO C C 5 174.455 174.455 173.406 1.049 17629 3762 1 12 . 1 1 5 5 PRO CA C 5 53.340 53.340 50.059 3.281 17629 3763 1 12 . 1 1 5 5 PRO CB C 5 37.870 37.870 43.042 -5.172 17629 3764 1 12 . 1 1 5 5 PRO H H 5 8.238 8.238 8.806 -0.568 17629 3765 1 12 . 1 1 6 6 SER N N 6 118.930 118.930 125.234 -6.304 17629 3766 1 12 . 1 1 6 6 SER HA H 6 4.439 4.439 4.987 -0.548 17629 3767 1 12 . 1 1 6 6 SER C C 6 174.756 174.756 175.926 -1.170 17629 3768 1 12 . 1 1 6 6 SER CA C 6 55.269 55.269 54.405 0.864 17629 3769 1 12 . 1 1 6 6 SER CB C 6 31.970 31.970 29.181 2.788 17629 3770 1 12 . 1 1 6 6 SER H H 6 9.042 9.042 8.910 0.132 17629 3771 1 12 . 1 1 7 7 ARG N N 7 124.908 124.908 123.584 1.324 17629 3772 1 12 . 1 1 7 7 ARG HA H 7 4.998 4.998 4.031 0.967 17629 3773 1 12 . 1 1 7 7 ARG C C 7 175.313 175.313 175.685 -0.372 17629 3774 1 12 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.244 -0.775 17629 3775 1 12 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.216 2.324 17629 3776 1 12 . 1 1 7 7 ARG H H 7 7.601 7.601 8.507 -0.906 17629 3777 1 12 . 1 1 8 8 ALA N N 8 126.210 126.210 118.148 8.062 17629 3778 1 12 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.181 0.809 17629 3779 1 12 . 1 1 8 8 ALA C C 8 173.314 173.314 175.565 -2.251 17629 3780 1 12 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.822 0.948 17629 3781 1 12 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.161 2.054 17629 3782 1 12 . 1 1 8 8 ALA H H 8 9.198 9.198 7.085 2.113 17629 3783 1 12 . 1 1 9 9 ALA N N 9 117.480 117.480 120.672 -3.192 17629 3784 1 12 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.399 -0.795 17629 3785 1 12 . 1 1 9 9 ALA C C 9 174.805 174.805 174.801 0.004 17629 3786 1 12 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.807 -4.982 17629 3787 1 12 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.313 2.844 17629 3788 1 12 . 1 1 9 9 ALA H H 9 8.571 8.571 8.185 0.386 17629 3789 1 12 . 1 1 10 10 PRO N N 10 127.491 127.491 125.513 1.978 17629 3790 1 12 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.896 -0.427 17629 3791 1 12 . 1 1 10 10 PRO C C 10 178.703 178.703 175.025 3.678 17629 3792 1 12 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.335 0.486 17629 3793 1 12 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.552 -3.355 17629 3794 1 12 . 1 1 10 10 PRO H H 10 9.208 9.208 8.763 0.445 17629 3795 1 12 . 1 1 11 11 LYS N N 11 127.224 127.224 125.581 1.643 17629 3796 1 12 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.504 0.043 17629 3797 1 12 . 1 1 11 11 LYS C C 11 175.084 175.084 173.820 1.264 17629 3798 1 12 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.660 5.686 17629 3799 1 12 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.652 -0.215 17629 3800 1 12 . 1 1 11 11 LYS H H 11 8.270 8.270 7.879 0.391 17629 3801 1 12 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.440 -0.685 17629 3802 1 12 . 1 1 12 12 PRO C C 12 173.503 173.503 174.062 -0.559 17629 3803 1 12 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.592 3.195 17629 3804 1 12 . 1 1 13 13 PRO N N 13 117.819 117.819 121.024 -3.205 17629 3805 1 12 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.358 -0.040 17629 3806 1 12 . 1 1 13 13 PRO C C 13 175.940 175.940 175.863 0.077 17629 3807 1 12 . 1 1 13 13 PRO CA C 13 54.569 54.569 54.043 0.526 17629 3808 1 12 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.963 -0.474 17629 3809 1 12 . 1 1 13 13 PRO H H 13 8.361 8.361 8.643 -0.282 17629 3810 1 12 . 1 1 14 14 SER N N 14 122.300 122.300 118.768 3.532 17629 3811 1 12 . 1 1 14 14 SER HA H 14 4.361 4.361 4.650 -0.289 17629 3812 1 12 . 1 1 14 14 SER C C 14 172.522 172.522 175.043 -2.521 17629 3813 1 12 . 1 1 14 14 SER CA C 14 56.389 56.389 57.354 -0.965 17629 3814 1 12 . 1 1 14 14 SER CB C 14 42.864 42.864 40.939 1.925 17629 3815 1 12 . 1 1 14 14 SER H H 14 8.138 8.138 7.563 0.575 17629 3816 1 12 . 1 1 15 15 GLU N N 15 128.991 128.991 119.589 9.402 17629 3817 1 12 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.312 0.375 17629 3818 1 12 . 1 1 15 15 GLU C C 15 172.941 172.941 175.814 -2.873 17629 3819 1 12 . 1 1 15 15 GLU CA C 15 51.415 51.415 58.023 -6.608 17629 3820 1 12 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.579 0.611 17629 3821 1 12 . 1 1 15 15 GLU H H 15 8.234 8.234 8.592 -0.358 17629 3822 1 12 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.308 -0.007 17629 3823 1 12 . 1 1 16 16 ALA C C 16 177.175 177.175 176.152 1.023 17629 3824 1 12 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.508 0.090 17629 3825 1 12 . 1 1 16 16 ALA CB C 16 34.485 34.485 31.756 2.729 17629 3826 1 12 . 1 1 16 16 ALA H H 16 8.263 8.263 7.967 0.296 17629 3827 1 12 . 1 1 17 17 GLU N N 17 119.882 119.882 119.320 0.562 17629 3828 1 12 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.602 -0.223 17629 3829 1 12 . 1 1 17 17 GLU C C 17 175.065 175.065 175.137 -0.072 17629 3830 1 12 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.523 0.058 17629 3831 1 12 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.331 -0.554 17629 3832 1 12 . 1 1 17 17 GLU H H 17 8.952 8.952 7.467 1.485 17629 3833 1 12 . 1 1 18 18 ASN N N 18 114.565 114.565 120.147 -5.582 17629 3834 1 12 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.111 -0.241 17629 3835 1 12 . 1 1 18 18 ASN C C 18 175.256 175.256 174.123 1.133 17629 3836 1 12 . 1 1 18 18 ASN CA C 18 51.950 51.950 50.993 0.957 17629 3837 1 12 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.369 2.077 17629 3838 1 12 . 1 1 18 18 ASN H H 18 7.177 7.177 9.012 -1.835 17629 3839 1 12 . 1 1 19 19 ASP N N 19 120.622 120.622 122.005 -1.383 17629 3840 1 12 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.814 -0.302 17629 3841 1 12 . 1 1 19 19 ASP C C 19 175.848 175.848 175.513 0.335 17629 3842 1 12 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.174 2.276 17629 3843 1 12 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.876 -1.217 17629 3844 1 12 . 1 1 19 19 ASP H H 19 8.753 8.753 8.383 0.370 17629 3845 1 12 . 1 1 20 20 ASN N N 20 115.197 115.197 117.612 -2.415 17629 3846 1 12 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.150 -0.385 17629 3847 1 12 . 1 1 20 20 ASN C C 20 174.017 174.017 173.801 0.216 17629 3848 1 12 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.457 -6.039 17629 3849 1 12 . 1 1 20 20 ASN H H 20 8.124 8.124 8.729 -0.605 17629 3850 1 12 . 1 1 21 21 GLU N N 21 119.591 119.591 124.042 -4.451 17629 3851 1 12 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.789 0.060 17629 3852 1 12 . 1 1 21 21 GLU C C 21 174.638 174.638 174.696 -0.058 17629 3853 1 12 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.278 -0.733 17629 3854 1 12 . 1 1 21 21 GLU CB C 21 31.708 31.708 32.033 -0.325 17629 3855 1 12 . 1 1 21 21 GLU H H 21 7.453 7.453 8.789 -1.336 17629 3856 1 12 . 1 1 22 22 LEU N N 22 126.694 126.694 126.344 0.350 17629 3857 1 12 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.805 0.550 17629 3858 1 12 . 1 1 22 22 LEU C C 22 173.258 173.258 177.770 -4.512 17629 3859 1 12 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.551 -3.103 17629 3860 1 12 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.466 2.884 17629 3861 1 12 . 1 1 22 22 LEU H H 22 8.765 8.765 8.818 -0.053 17629 3862 1 12 . 1 1 23 23 ARG N N 23 123.640 123.640 127.136 -3.496 17629 3863 1 12 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.816 0.360 17629 3864 1 12 . 1 1 23 23 ARG C C 23 176.038 176.038 176.000 0.038 17629 3865 1 12 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.687 1.432 17629 3866 1 12 . 1 1 23 23 ARG H H 23 8.023 8.023 8.868 -0.845 17629 3867 1 12 . 1 1 24 24 LEU N N 24 122.047 122.047 122.120 -0.073 17629 3868 1 12 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.329 0.597 17629 3869 1 12 . 1 1 24 24 LEU C C 24 176.320 176.320 175.610 0.710 17629 3870 1 12 . 1 1 24 24 LEU CA C 24 53.589 53.589 54.987 -1.398 17629 3871 1 12 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.216 2.625 17629 3872 1 12 . 1 1 24 24 LEU H H 24 8.686 8.686 7.947 0.739 17629 3873 1 12 . 1 1 25 25 ALA N N 25 127.826 127.826 123.857 3.969 17629 3874 1 12 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.697 0.353 17629 3875 1 12 . 1 1 25 25 ALA C C 25 176.497 176.497 176.590 -0.093 17629 3876 1 12 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.746 -1.010 17629 3877 1 12 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.852 0.916 17629 3878 1 12 . 1 1 25 25 ALA H H 25 8.747 8.747 7.976 0.771 17629 3879 1 12 . 1 1 26 26 GLU N N 26 121.396 121.396 119.069 2.327 17629 3880 1 12 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.927 -1.736 17629 3881 1 12 . 1 1 26 26 GLU C C 26 177.095 177.095 173.924 3.171 17629 3882 1 12 . 1 1 26 26 GLU CA C 26 58.455 58.455 52.584 5.871 17629 3883 1 12 . 1 1 26 26 GLU CB C 26 29.440 29.440 32.714 -3.273 17629 3884 1 12 . 1 1 26 26 GLU H H 26 8.756 8.756 8.734 0.022 17629 3885 1 12 . 1 1 27 27 GLY N N 27 115.237 115.237 107.992 7.245 17629 3886 1 12 . 1 1 27 27 GLY C C 27 174.571 174.571 174.711 -0.140 17629 3887 1 12 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.933 1.843 17629 3888 1 12 . 1 1 27 27 GLY H H 27 8.878 8.878 8.744 0.134 17629 3889 1 12 . 1 1 28 28 ASP N N 28 122.805 122.805 125.533 -2.728 17629 3890 1 12 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.647 -0.165 17629 3891 1 12 . 1 1 28 28 ASP C C 28 174.781 174.781 176.884 -2.103 17629 3892 1 12 . 1 1 28 28 ASP CA C 28 55.493 55.493 53.012 2.481 17629 3893 1 12 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.835 3.899 17629 3894 1 12 . 1 1 28 28 ASP H H 28 8.655 8.655 8.894 -0.239 17629 3895 1 12 . 1 1 29 29 ILE N N 29 120.912 120.912 129.243 -8.331 17629 3896 1 12 . 1 1 29 29 ILE HA H 29 4.909 4.909 3.968 0.941 17629 3897 1 12 . 1 1 29 29 ILE C C 29 176.392 176.392 175.237 1.155 17629 3898 1 12 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.434 -6.499 17629 3899 1 12 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.023 -1.413 17629 3900 1 12 . 1 1 29 29 ILE H H 29 8.484 8.484 8.677 -0.193 17629 3901 1 12 . 1 1 30 30 VAL N N 30 118.766 118.766 113.399 5.367 17629 3902 1 12 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.364 0.480 17629 3903 1 12 . 1 1 30 30 VAL C C 30 173.455 173.455 173.410 0.045 17629 3904 1 12 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.808 -2.673 17629 3905 1 12 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.911 2.559 17629 3906 1 12 . 1 1 30 30 VAL H H 30 8.840 8.840 7.409 1.431 17629 3907 1 12 . 1 1 31 31 PHE N N 31 118.993 118.993 121.876 -2.883 17629 3908 1 12 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.665 0.301 17629 3909 1 12 . 1 1 31 31 PHE C C 31 175.600 175.600 174.554 1.046 17629 3910 1 12 . 1 1 31 31 PHE CA C 31 56.697 56.697 57.745 -1.048 17629 3911 1 12 . 1 1 31 31 PHE CB C 31 41.170 41.170 40.041 1.129 17629 3912 1 12 . 1 1 31 31 PHE H H 31 8.961 8.961 8.782 0.179 17629 3913 1 12 . 1 1 32 32 ILE N N 32 124.714 124.714 125.986 -1.272 17629 3914 1 12 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.470 -0.100 17629 3915 1 12 . 1 1 32 32 ILE C C 32 175.776 175.776 175.637 0.139 17629 3916 1 12 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.506 -1.957 17629 3917 1 12 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.745 -5.710 17629 3918 1 12 . 1 1 32 32 ILE H H 32 9.043 9.043 8.267 0.776 17629 3919 1 12 . 1 1 33 33 SER N N 33 124.251 124.251 115.295 8.956 17629 3920 1 12 . 1 1 33 33 SER HA H 33 4.630 4.630 4.155 0.475 17629 3921 1 12 . 1 1 33 33 SER C C 33 175.353 175.353 174.513 0.840 17629 3922 1 12 . 1 1 33 33 SER CA C 33 59.396 59.396 58.573 0.823 17629 3923 1 12 . 1 1 33 33 SER H H 33 9.128 9.128 8.035 1.093 17629 3924 1 12 . 1 1 34 34 TYR N N 34 114.956 114.956 116.792 -1.836 17629 3925 1 12 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.301 0.547 17629 3926 1 12 . 1 1 34 34 TYR C C 34 172.582 172.582 175.992 -3.410 17629 3927 1 12 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.081 -1.959 17629 3928 1 12 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.459 3.801 17629 3929 1 12 . 1 1 34 34 TYR H H 34 7.457 7.457 8.743 -1.286 17629 3930 1 12 . 1 1 35 35 LYS N N 35 122.237 122.237 115.251 6.986 17629 3931 1 12 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.670 0.929 17629 3932 1 12 . 1 1 35 35 LYS C C 35 175.174 175.174 174.668 0.506 17629 3933 1 12 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.289 -0.542 17629 3934 1 12 . 1 1 35 35 LYS H H 35 8.697 8.697 8.564 0.133 17629 3935 1 12 . 1 1 36 36 HIS N N 36 127.413 127.413 117.181 10.232 17629 3936 1 12 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.790 -0.138 17629 3937 1 12 . 1 1 36 36 HIS C C 36 175.918 175.918 173.701 2.217 17629 3938 1 12 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.810 3.524 17629 3939 1 12 . 1 1 36 36 HIS CB C 36 32.782 32.782 32.033 0.749 17629 3940 1 12 . 1 1 36 36 HIS H H 36 8.122 8.122 7.706 0.416 17629 3941 1 12 . 1 1 37 37 GLY N N 37 105.500 105.500 108.940 -3.440 17629 3942 1 12 . 1 1 37 37 GLY C C 37 174.073 174.073 174.143 -0.070 17629 3943 1 12 . 1 1 37 37 GLY CA C 37 43.784 43.784 43.982 -0.198 17629 3944 1 12 . 1 1 37 37 GLY H H 37 8.000 8.000 9.232 -1.232 17629 3945 1 12 . 1 1 38 38 GLN N N 38 114.228 114.228 123.649 -9.421 17629 3946 1 12 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.653 -0.562 17629 3947 1 12 . 1 1 38 38 GLN C C 38 175.546 175.546 174.971 0.575 17629 3948 1 12 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.130 1.808 17629 3949 1 12 . 1 1 38 38 GLN CB C 38 27.560 27.560 26.609 0.951 17629 3950 1 12 . 1 1 38 38 GLN H H 38 9.025 9.025 7.789 1.236 17629 3951 1 12 . 1 1 39 39 GLY N N 39 104.000 104.000 115.871 -11.871 17629 3952 1 12 . 1 1 39 39 GLY C C 39 174.892 174.892 172.553 2.339 17629 3953 1 12 . 1 1 39 39 GLY CA C 39 45.610 45.610 43.148 2.462 17629 3954 1 12 . 1 1 39 39 GLY H H 39 8.664 8.664 8.883 -0.219 17629 3955 1 12 . 1 1 40 40 TRP N N 40 120.355 120.355 120.688 -0.333 17629 3956 1 12 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.458 -0.207 17629 3957 1 12 . 1 1 40 40 TRP C C 40 175.702 175.702 176.035 -0.333 17629 3958 1 12 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.736 1.863 17629 3959 1 12 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.215 0.143 17629 3960 1 12 . 1 1 40 40 TRP H H 40 7.938 7.938 8.320 -0.382 17629 3961 1 12 . 1 1 41 41 LEU N N 41 121.736 121.736 122.922 -1.186 17629 3962 1 12 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.077 0.890 17629 3963 1 12 . 1 1 41 41 LEU C C 41 174.893 174.893 177.400 -2.507 17629 3964 1 12 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.630 -1.691 17629 3965 1 12 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.088 1.568 17629 3966 1 12 . 1 1 41 41 LEU H H 41 9.626 9.626 8.412 1.214 17629 3967 1 12 . 1 1 42 42 VAL N N 42 120.248 120.248 118.733 1.515 17629 3968 1 12 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.858 0.250 17629 3969 1 12 . 1 1 42 42 VAL C C 42 173.905 173.905 177.317 -3.412 17629 3970 1 12 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.729 -1.430 17629 3971 1 12 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.748 0.014 17629 3972 1 12 . 1 1 42 42 VAL H H 42 8.593 8.593 8.593 0.000 17629 3973 1 12 . 1 1 43 43 ALA N N 43 130.238 130.238 120.930 9.308 17629 3974 1 12 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.154 1.335 17629 3975 1 12 . 1 1 43 43 ALA C C 43 174.736 174.736 178.438 -3.702 17629 3976 1 12 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.587 -3.889 17629 3977 1 12 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.155 5.971 17629 3978 1 12 . 1 1 43 43 ALA H H 43 9.080 9.080 8.016 1.064 17629 3979 1 12 . 1 1 44 44 GLU N N 44 118.066 118.066 119.629 -1.563 17629 3980 1 12 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.108 1.262 17629 3981 1 12 . 1 1 44 44 GLU C C 44 176.343 176.343 175.914 0.429 17629 3982 1 12 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.333 -3.419 17629 3983 1 12 . 1 1 44 44 GLU H H 44 9.055 9.055 7.798 1.257 17629 3984 1 12 . 1 1 45 45 ASN N N 45 118.721 118.721 115.806 2.915 17629 3985 1 12 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.757 0.063 17629 3986 1 12 . 1 1 45 45 ASN C C 45 175.581 175.581 174.805 0.776 17629 3987 1 12 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.240 -1.239 17629 3988 1 12 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.284 -1.517 17629 3989 1 12 . 1 1 45 45 ASN H H 45 8.342 8.342 8.164 0.178 17629 3990 1 12 . 1 1 46 46 GLU N N 46 120.491 120.491 122.620 -2.129 17629 3991 1 12 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.596 -0.646 17629 3992 1 12 . 1 1 46 46 GLU C C 46 177.658 177.658 174.577 3.081 17629 3993 1 12 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.880 4.258 17629 3994 1 12 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.083 -1.575 17629 3995 1 12 . 1 1 46 46 GLU H H 46 8.521 8.521 7.809 0.712 17629 3996 1 12 . 1 1 47 47 SER N N 47 109.172 109.172 122.471 -13.299 17629 3997 1 12 . 1 1 47 47 SER HA H 47 4.376 4.376 5.058 -0.682 17629 3998 1 12 . 1 1 47 47 SER C C 47 175.760 175.760 173.793 1.967 17629 3999 1 12 . 1 1 47 47 SER CA C 47 58.349 58.349 57.513 0.836 17629 4000 1 12 . 1 1 47 47 SER CB C 47 63.906 63.906 66.356 -2.450 17629 4001 1 12 . 1 1 47 47 SER H H 47 8.029 8.029 8.698 -0.669 17629 4002 1 12 . 1 1 48 48 GLY N N 48 112.365 112.365 111.978 0.387 17629 4003 1 12 . 1 1 48 48 GLY C C 48 174.289 174.289 171.775 2.514 17629 4004 1 12 . 1 1 48 48 GLY CA C 48 45.946 45.946 44.664 1.282 17629 4005 1 12 . 1 1 48 48 GLY H H 48 8.002 8.002 8.920 -0.918 17629 4006 1 12 . 1 1 49 49 SER N N 49 116.280 116.280 115.473 0.807 17629 4007 1 12 . 1 1 49 49 SER HA H 49 4.387 4.387 4.927 -0.540 17629 4008 1 12 . 1 1 49 49 SER C C 49 174.474 174.474 174.143 0.331 17629 4009 1 12 . 1 1 49 49 SER CA C 49 58.778 58.778 57.592 1.186 17629 4010 1 12 . 1 1 49 49 SER CB C 49 64.138 64.138 64.804 -0.666 17629 4011 1 12 . 1 1 49 49 SER H H 49 8.529 8.529 8.222 0.307 17629 4012 1 12 . 1 1 50 50 LYS N N 50 122.336 122.336 117.535 4.801 17629 4013 1 12 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.274 -0.597 17629 4014 1 12 . 1 1 50 50 LYS C C 50 173.788 173.788 174.161 -0.373 17629 4015 1 12 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.020 3.901 17629 4016 1 12 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.246 1.416 17629 4017 1 12 . 1 1 50 50 LYS H H 50 7.879 7.879 9.385 -1.506 17629 4018 1 12 . 1 1 51 51 THR HA H 51 5.465 5.465 3.949 1.516 17629 4019 1 12 . 1 1 51 51 THR C C 51 173.478 173.478 173.855 -0.377 17629 4020 1 12 . 1 1 51 51 THR CA C 51 59.703 59.703 61.519 -1.816 17629 4021 1 12 . 1 1 51 51 THR CB C 51 71.505 71.505 69.326 2.179 17629 4022 1 12 . 1 1 52 52 GLY N N 52 110.609 110.609 109.747 0.862 17629 4023 1 12 . 1 1 52 52 GLY C C 52 170.386 170.386 176.578 -6.192 17629 4024 1 12 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.646 -1.269 17629 4025 1 12 . 1 1 52 52 GLY H H 52 9.039 9.039 8.469 0.570 17629 4026 1 12 . 1 1 53 53 LEU N N 53 120.239 120.239 119.290 0.949 17629 4027 1 12 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.294 0.905 17629 4028 1 12 . 1 1 53 53 LEU C C 53 177.929 177.929 177.303 0.626 17629 4029 1 12 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.171 -1.553 17629 4030 1 12 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.605 2.439 17629 4031 1 12 . 1 1 53 53 LEU H H 53 9.169 9.169 8.404 0.765 17629 4032 1 12 . 1 1 54 54 VAL N N 54 111.925 111.925 115.637 -3.712 17629 4033 1 12 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.528 0.312 17629 4034 1 12 . 1 1 54 54 VAL C C 54 172.319 172.319 174.327 -2.008 17629 4035 1 12 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.592 -3.402 17629 4036 1 12 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.125 1.077 17629 4037 1 12 . 1 1 54 54 VAL H H 54 9.191 9.191 7.792 1.399 17629 4038 1 12 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.382 -1.269 17629 4039 1 12 . 1 1 55 55 PRO C C 55 178.107 178.107 175.955 2.152 17629 4040 1 12 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.216 0.820 17629 4041 1 12 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.454 -4.024 17629 4042 1 12 . 1 1 56 56 GLU N N 56 126.923 126.923 119.923 7.000 17629 4043 1 12 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.684 -0.928 17629 4044 1 12 . 1 1 56 56 GLU C C 56 177.586 177.586 176.147 1.439 17629 4045 1 12 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.784 4.268 17629 4046 1 12 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.622 -1.409 17629 4047 1 12 . 1 1 56 56 GLU H H 56 8.503 8.503 8.822 -0.319 17629 4048 1 12 . 1 1 57 57 GLU N N 57 113.138 113.138 127.935 -14.797 17629 4049 1 12 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.196 0.139 17629 4050 1 12 . 1 1 57 57 GLU C C 57 175.950 175.950 177.157 -1.207 17629 4051 1 12 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.069 -0.435 17629 4052 1 12 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.686 0.129 17629 4053 1 12 . 1 1 57 57 GLU H H 57 8.743 8.743 8.944 -0.201 17629 4054 1 12 . 1 1 58 58 PHE N N 58 116.994 116.994 124.159 -7.165 17629 4055 1 12 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.662 0.125 17629 4056 1 12 . 1 1 58 58 PHE C C 58 174.773 174.773 174.654 0.119 17629 4057 1 12 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.473 -1.802 17629 4058 1 12 . 1 1 58 58 PHE H H 58 8.002 8.002 8.071 -0.069 17629 4059 1 12 . 1 1 59 59 VAL N N 59 110.037 110.037 122.295 -12.258 17629 4060 1 12 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.390 1.020 17629 4061 1 12 . 1 1 59 59 VAL C C 59 173.781 173.781 174.310 -0.529 17629 4062 1 12 . 1 1 59 59 VAL CA C 59 57.922 57.922 60.095 -2.173 17629 4063 1 12 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.209 0.963 17629 4064 1 12 . 1 1 59 59 VAL H H 59 7.328 7.328 8.289 -0.961 17629 4065 1 12 . 1 1 60 60 SER HA H 60 4.711 4.711 4.411 0.300 17629 4066 1 12 . 1 1 60 60 SER C C 60 174.901 174.901 174.189 0.712 17629 4067 1 12 . 1 1 60 60 SER CA C 60 55.416 55.416 59.497 -4.081 17629 4068 1 12 . 1 1 60 60 SER CB C 60 64.846 64.846 63.978 0.868 17629 4069 1 12 . 1 1 61 61 TYR N N 61 126.709 126.709 117.171 9.538 17629 4070 1 12 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.659 -0.085 17629 4071 1 12 . 1 1 61 61 TYR C C 61 176.232 176.232 173.893 2.339 17629 4072 1 12 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.095 1.145 17629 4073 1 12 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.735 -0.749 17629 4074 1 12 . 1 1 61 61 TYR H H 61 8.560 8.560 8.162 0.398 17629 4075 1 12 . 1 1 62 62 ILE N N 62 122.059 122.059 119.405 2.654 17629 4076 1 12 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.564 -0.321 17629 4077 1 12 . 1 1 62 62 ILE C C 62 175.812 175.812 175.283 0.529 17629 4078 1 12 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.366 0.264 17629 4079 1 12 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.839 -0.679 17629 4080 1 12 . 1 1 62 62 ILE H H 62 8.303 8.303 7.578 0.725 17629 4081 1 13 . 1 1 2 2 LYS N N 2 125.410 125.410 123.870 1.540 17629 4082 1 13 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.624 -0.506 17629 4083 1 13 . 1 1 2 2 LYS C C 2 176.439 176.439 176.242 0.197 17629 4084 1 13 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.085 0.488 17629 4085 1 13 . 1 1 2 2 LYS CB C 2 20.200 20.200 21.224 -1.024 17629 4086 1 13 . 1 1 2 2 LYS H H 2 8.079 8.079 7.861 0.218 17629 4087 1 13 . 1 1 3 3 PHE N N 3 123.092 123.092 123.935 -0.843 17629 4088 1 13 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.298 -0.877 17629 4089 1 13 . 1 1 3 3 PHE C C 3 175.856 175.856 174.725 1.131 17629 4090 1 13 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.190 1.475 17629 4091 1 13 . 1 1 3 3 PHE CB C 3 38.611 38.611 40.218 -1.607 17629 4092 1 13 . 1 1 3 3 PHE H H 3 8.251 8.251 8.681 -0.430 17629 4093 1 13 . 1 1 4 4 ILE N N 4 125.149 125.149 118.155 6.994 17629 4094 1 13 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.738 -0.523 17629 4095 1 13 . 1 1 4 4 ILE C C 4 175.190 175.190 172.786 2.404 17629 4096 1 13 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.507 1.272 17629 4097 1 13 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.553 -2.021 17629 4098 1 13 . 1 1 4 4 ILE H H 4 7.775 7.775 8.879 -1.104 17629 4099 1 13 . 1 1 5 5 PRO N N 5 121.258 121.258 118.788 2.470 17629 4100 1 13 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.041 -1.282 17629 4101 1 13 . 1 1 5 5 PRO C C 5 174.455 174.455 173.307 1.148 17629 4102 1 13 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.602 3.738 17629 4103 1 13 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.340 -4.470 17629 4104 1 13 . 1 1 5 5 PRO H H 5 8.238 8.238 8.514 -0.276 17629 4105 1 13 . 1 1 6 6 SER N N 6 118.930 118.930 125.182 -6.252 17629 4106 1 13 . 1 1 6 6 SER HA H 6 4.439 4.439 4.720 -0.281 17629 4107 1 13 . 1 1 6 6 SER C C 6 174.756 174.756 175.774 -1.018 17629 4108 1 13 . 1 1 6 6 SER CA C 6 55.269 55.269 54.894 0.375 17629 4109 1 13 . 1 1 6 6 SER CB C 6 31.970 31.970 28.973 2.998 17629 4110 1 13 . 1 1 6 6 SER H H 6 9.042 9.042 8.645 0.397 17629 4111 1 13 . 1 1 7 7 ARG N N 7 124.908 124.908 123.879 1.029 17629 4112 1 13 . 1 1 7 7 ARG HA H 7 4.998 4.998 4.061 0.937 17629 4113 1 13 . 1 1 7 7 ARG C C 7 175.313 175.313 175.838 -0.525 17629 4114 1 13 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.452 -0.983 17629 4115 1 13 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.143 2.397 17629 4116 1 13 . 1 1 7 7 ARG H H 7 7.601 7.601 8.429 -0.828 17629 4117 1 13 . 1 1 8 8 ALA N N 8 126.210 126.210 118.170 8.040 17629 4118 1 13 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.231 0.759 17629 4119 1 13 . 1 1 8 8 ALA C C 8 173.314 173.314 175.721 -2.407 17629 4120 1 13 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.652 1.118 17629 4121 1 13 . 1 1 8 8 ALA CB C 8 23.215 23.215 20.878 2.337 17629 4122 1 13 . 1 1 8 8 ALA H H 8 9.198 9.198 7.046 2.152 17629 4123 1 13 . 1 1 9 9 ALA N N 9 117.480 117.480 119.729 -2.249 17629 4124 1 13 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.324 -0.720 17629 4125 1 13 . 1 1 9 9 ALA C C 9 174.805 174.805 175.142 -0.337 17629 4126 1 13 . 1 1 9 9 ALA CA C 9 57.825 57.825 63.133 -5.309 17629 4127 1 13 . 1 1 9 9 ALA CB C 9 35.157 35.157 31.988 3.169 17629 4128 1 13 . 1 1 9 9 ALA H H 9 8.571 8.571 8.103 0.468 17629 4129 1 13 . 1 1 10 10 PRO N N 10 127.491 127.491 125.492 1.999 17629 4130 1 13 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.875 -0.406 17629 4131 1 13 . 1 1 10 10 PRO C C 10 178.703 178.703 175.171 3.532 17629 4132 1 13 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.035 0.786 17629 4133 1 13 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.029 -2.832 17629 4134 1 13 . 1 1 10 10 PRO H H 10 9.208 9.208 8.678 0.530 17629 4135 1 13 . 1 1 11 11 LYS N N 11 127.224 127.224 125.396 1.828 17629 4136 1 13 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.469 0.078 17629 4137 1 13 . 1 1 11 11 LYS C C 11 175.084 175.084 173.800 1.284 17629 4138 1 13 . 1 1 11 11 LYS CA C 11 55.345 55.345 50.348 4.997 17629 4139 1 13 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.757 -0.320 17629 4140 1 13 . 1 1 11 11 LYS H H 11 8.270 8.270 7.768 0.502 17629 4141 1 13 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.489 -0.734 17629 4142 1 13 . 1 1 12 12 PRO C C 12 173.503 173.503 174.624 -1.121 17629 4143 1 13 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.451 3.336 17629 4144 1 13 . 1 1 13 13 PRO N N 13 117.819 117.819 122.527 -4.708 17629 4145 1 13 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.331 -0.013 17629 4146 1 13 . 1 1 13 13 PRO C C 13 175.940 175.940 176.090 -0.150 17629 4147 1 13 . 1 1 13 13 PRO CA C 13 54.569 54.569 54.123 0.446 17629 4148 1 13 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.789 -0.300 17629 4149 1 13 . 1 1 13 13 PRO H H 13 8.361 8.361 8.702 -0.341 17629 4150 1 13 . 1 1 14 14 SER N N 14 122.300 122.300 119.578 2.722 17629 4151 1 13 . 1 1 14 14 SER HA H 14 4.361 4.361 4.624 -0.263 17629 4152 1 13 . 1 1 14 14 SER C C 14 172.522 172.522 174.931 -2.409 17629 4153 1 13 . 1 1 14 14 SER CA C 14 56.389 56.389 57.526 -1.137 17629 4154 1 13 . 1 1 14 14 SER CB C 14 42.864 42.864 40.282 2.583 17629 4155 1 13 . 1 1 14 14 SER H H 14 8.138 8.138 7.619 0.519 17629 4156 1 13 . 1 1 15 15 GLU N N 15 128.991 128.991 119.045 9.946 17629 4157 1 13 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.410 0.277 17629 4158 1 13 . 1 1 15 15 GLU C C 15 172.941 172.941 175.510 -2.569 17629 4159 1 13 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.151 -5.736 17629 4160 1 13 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.319 0.871 17629 4161 1 13 . 1 1 15 15 GLU H H 15 8.234 8.234 8.565 -0.331 17629 4162 1 13 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.308 -0.007 17629 4163 1 13 . 1 1 16 16 ALA C C 16 177.175 177.175 175.980 1.195 17629 4164 1 13 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.585 0.014 17629 4165 1 13 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.343 2.142 17629 4166 1 13 . 1 1 16 16 ALA H H 16 8.263 8.263 7.871 0.392 17629 4167 1 13 . 1 1 17 17 GLU N N 17 119.882 119.882 120.167 -0.285 17629 4168 1 13 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.697 -0.318 17629 4169 1 13 . 1 1 17 17 GLU C C 17 175.065 175.065 174.966 0.099 17629 4170 1 13 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.488 0.093 17629 4171 1 13 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.044 -0.267 17629 4172 1 13 . 1 1 17 17 GLU H H 17 8.952 8.952 7.470 1.482 17629 4173 1 13 . 1 1 18 18 ASN N N 18 114.565 114.565 119.516 -4.951 17629 4174 1 13 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.029 -0.159 17629 4175 1 13 . 1 1 18 18 ASN C C 18 175.256 175.256 173.929 1.327 17629 4176 1 13 . 1 1 18 18 ASN CA C 18 51.950 51.950 52.069 -0.119 17629 4177 1 13 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.740 1.706 17629 4178 1 13 . 1 1 18 18 ASN H H 18 7.177 7.177 8.862 -1.685 17629 4179 1 13 . 1 1 19 19 ASP N N 19 120.622 120.622 120.011 0.611 17629 4180 1 13 . 1 1 19 19 ASP HA H 19 4.512 4.512 5.109 -0.597 17629 4181 1 13 . 1 1 19 19 ASP C C 19 175.848 175.848 175.405 0.443 17629 4182 1 13 . 1 1 19 19 ASP CA C 19 56.450 56.450 52.884 3.566 17629 4183 1 13 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.709 -1.050 17629 4184 1 13 . 1 1 19 19 ASP H H 19 8.753 8.753 8.393 0.360 17629 4185 1 13 . 1 1 20 20 ASN N N 20 115.197 115.197 119.736 -4.539 17629 4186 1 13 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.128 -0.363 17629 4187 1 13 . 1 1 20 20 ASN C C 20 174.017 174.017 173.543 0.474 17629 4188 1 13 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.161 -5.743 17629 4189 1 13 . 1 1 20 20 ASN H H 20 8.124 8.124 9.367 -1.243 17629 4190 1 13 . 1 1 21 21 GLU N N 21 119.591 119.591 122.736 -3.145 17629 4191 1 13 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.668 0.181 17629 4192 1 13 . 1 1 21 21 GLU C C 21 174.638 174.638 174.616 0.022 17629 4193 1 13 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.028 -0.483 17629 4194 1 13 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.585 0.123 17629 4195 1 13 . 1 1 21 21 GLU H H 21 7.453 7.453 8.315 -0.862 17629 4196 1 13 . 1 1 22 22 LEU N N 22 126.694 126.694 126.494 0.200 17629 4197 1 13 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.859 0.496 17629 4198 1 13 . 1 1 22 22 LEU C C 22 173.258 173.258 177.993 -4.735 17629 4199 1 13 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.514 -3.066 17629 4200 1 13 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.542 2.808 17629 4201 1 13 . 1 1 22 22 LEU H H 22 8.765 8.765 8.805 -0.040 17629 4202 1 13 . 1 1 23 23 ARG N N 23 123.640 123.640 127.876 -4.236 17629 4203 1 13 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.850 0.326 17629 4204 1 13 . 1 1 23 23 ARG C C 23 176.038 176.038 175.674 0.364 17629 4205 1 13 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.733 1.386 17629 4206 1 13 . 1 1 23 23 ARG H H 23 8.023 8.023 8.786 -0.763 17629 4207 1 13 . 1 1 24 24 LEU N N 24 122.047 122.047 122.584 -0.537 17629 4208 1 13 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.508 0.418 17629 4209 1 13 . 1 1 24 24 LEU C C 24 176.320 176.320 175.990 0.330 17629 4210 1 13 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.013 -1.423 17629 4211 1 13 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.011 2.830 17629 4212 1 13 . 1 1 24 24 LEU H H 24 8.686 8.686 8.263 0.423 17629 4213 1 13 . 1 1 25 25 ALA N N 25 127.826 127.826 123.248 4.578 17629 4214 1 13 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.748 0.302 17629 4215 1 13 . 1 1 25 25 ALA C C 25 176.497 176.497 176.597 -0.100 17629 4216 1 13 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.503 -0.767 17629 4217 1 13 . 1 1 25 25 ALA CB C 25 20.767 20.767 20.029 0.738 17629 4218 1 13 . 1 1 25 25 ALA H H 25 8.747 8.747 8.233 0.514 17629 4219 1 13 . 1 1 26 26 GLU N N 26 121.396 121.396 118.560 2.836 17629 4220 1 13 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.907 -1.716 17629 4221 1 13 . 1 1 26 26 GLU C C 26 177.095 177.095 174.033 3.062 17629 4222 1 13 . 1 1 26 26 GLU CA C 26 58.455 58.455 52.867 5.588 17629 4223 1 13 . 1 1 26 26 GLU CB C 26 29.440 29.440 32.731 -3.291 17629 4224 1 13 . 1 1 26 26 GLU H H 26 8.756 8.756 8.818 -0.062 17629 4225 1 13 . 1 1 27 27 GLY N N 27 115.237 115.237 109.103 6.134 17629 4226 1 13 . 1 1 27 27 GLY C C 27 174.571 174.571 174.853 -0.282 17629 4227 1 13 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.960 1.816 17629 4228 1 13 . 1 1 27 27 GLY H H 27 8.878 8.878 8.451 0.427 17629 4229 1 13 . 1 1 28 28 ASP N N 28 122.805 122.805 125.412 -2.607 17629 4230 1 13 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.642 -0.160 17629 4231 1 13 . 1 1 28 28 ASP C C 28 174.781 174.781 176.662 -1.881 17629 4232 1 13 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.734 2.759 17629 4233 1 13 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.751 3.983 17629 4234 1 13 . 1 1 28 28 ASP H H 28 8.655 8.655 8.814 -0.159 17629 4235 1 13 . 1 1 29 29 ILE N N 29 120.912 120.912 128.270 -7.358 17629 4236 1 13 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.176 0.733 17629 4237 1 13 . 1 1 29 29 ILE C C 29 176.392 176.392 175.287 1.105 17629 4238 1 13 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.342 -6.407 17629 4239 1 13 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.314 -1.704 17629 4240 1 13 . 1 1 29 29 ILE H H 29 8.484 8.484 8.598 -0.114 17629 4241 1 13 . 1 1 30 30 VAL N N 30 118.766 118.766 114.040 4.726 17629 4242 1 13 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.371 0.473 17629 4243 1 13 . 1 1 30 30 VAL C C 30 173.455 173.455 173.539 -0.084 17629 4244 1 13 . 1 1 30 30 VAL CA C 30 58.135 58.135 61.048 -2.913 17629 4245 1 13 . 1 1 30 30 VAL CB C 30 35.470 35.470 33.238 2.232 17629 4246 1 13 . 1 1 30 30 VAL H H 30 8.840 8.840 7.468 1.372 17629 4247 1 13 . 1 1 31 31 PHE N N 31 118.993 118.993 124.478 -5.485 17629 4248 1 13 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.560 0.406 17629 4249 1 13 . 1 1 31 31 PHE C C 31 175.600 175.600 174.565 1.035 17629 4250 1 13 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.078 -1.381 17629 4251 1 13 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.820 1.350 17629 4252 1 13 . 1 1 31 31 PHE H H 31 8.961 8.961 8.657 0.304 17629 4253 1 13 . 1 1 32 32 ILE N N 32 124.714 124.714 126.306 -1.592 17629 4254 1 13 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.476 -0.106 17629 4255 1 13 . 1 1 32 32 ILE C C 32 175.776 175.776 175.684 0.092 17629 4256 1 13 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.434 -1.885 17629 4257 1 13 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.604 -5.569 17629 4258 1 13 . 1 1 32 32 ILE H H 32 9.043 9.043 8.230 0.813 17629 4259 1 13 . 1 1 33 33 SER N N 33 124.251 124.251 115.435 8.816 17629 4260 1 13 . 1 1 33 33 SER HA H 33 4.630 4.630 4.133 0.497 17629 4261 1 13 . 1 1 33 33 SER C C 33 175.353 175.353 174.499 0.854 17629 4262 1 13 . 1 1 33 33 SER CA C 33 59.396 59.396 58.587 0.810 17629 4263 1 13 . 1 1 33 33 SER H H 33 9.128 9.128 8.074 1.054 17629 4264 1 13 . 1 1 34 34 TYR N N 34 114.956 114.956 116.799 -1.843 17629 4265 1 13 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.282 0.566 17629 4266 1 13 . 1 1 34 34 TYR C C 34 172.582 172.582 175.927 -3.345 17629 4267 1 13 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.113 -1.991 17629 4268 1 13 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.522 3.738 17629 4269 1 13 . 1 1 34 34 TYR H H 34 7.457 7.457 8.728 -1.271 17629 4270 1 13 . 1 1 35 35 LYS N N 35 122.237 122.237 115.282 6.955 17629 4271 1 13 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.651 0.948 17629 4272 1 13 . 1 1 35 35 LYS C C 35 175.174 175.174 174.655 0.519 17629 4273 1 13 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.245 -0.498 17629 4274 1 13 . 1 1 35 35 LYS H H 35 8.697 8.697 8.542 0.155 17629 4275 1 13 . 1 1 36 36 HIS N N 36 127.413 127.413 117.351 10.062 17629 4276 1 13 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.826 -0.174 17629 4277 1 13 . 1 1 36 36 HIS C C 36 175.918 175.918 173.819 2.099 17629 4278 1 13 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.632 3.702 17629 4279 1 13 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.921 0.861 17629 4280 1 13 . 1 1 36 36 HIS H H 36 8.122 8.122 7.705 0.417 17629 4281 1 13 . 1 1 37 37 GLY N N 37 105.500 105.500 108.748 -3.248 17629 4282 1 13 . 1 1 37 37 GLY C C 37 174.073 174.073 174.291 -0.218 17629 4283 1 13 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.024 -0.240 17629 4284 1 13 . 1 1 37 37 GLY H H 37 8.000 8.000 9.269 -1.269 17629 4285 1 13 . 1 1 38 38 GLN N N 38 114.228 114.228 123.642 -9.414 17629 4286 1 13 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.696 -0.605 17629 4287 1 13 . 1 1 38 38 GLN C C 38 175.546 175.546 174.708 0.838 17629 4288 1 13 . 1 1 38 38 GLN CA C 38 56.938 56.938 56.020 0.918 17629 4289 1 13 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.805 -0.245 17629 4290 1 13 . 1 1 38 38 GLN H H 38 9.025 9.025 7.873 1.152 17629 4291 1 13 . 1 1 39 39 GLY N N 39 104.000 104.000 115.997 -11.997 17629 4292 1 13 . 1 1 39 39 GLY C C 39 174.892 174.892 172.676 2.216 17629 4293 1 13 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.751 2.859 17629 4294 1 13 . 1 1 39 39 GLY H H 39 8.664 8.664 8.927 -0.263 17629 4295 1 13 . 1 1 40 40 TRP N N 40 120.355 120.355 120.250 0.105 17629 4296 1 13 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.491 -0.240 17629 4297 1 13 . 1 1 40 40 TRP C C 40 175.702 175.702 176.152 -0.450 17629 4298 1 13 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.711 1.888 17629 4299 1 13 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.042 0.316 17629 4300 1 13 . 1 1 40 40 TRP H H 40 7.938 7.938 8.255 -0.317 17629 4301 1 13 . 1 1 41 41 LEU N N 41 121.736 121.736 121.643 0.093 17629 4302 1 13 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.109 0.858 17629 4303 1 13 . 1 1 41 41 LEU C C 41 174.893 174.893 177.680 -2.787 17629 4304 1 13 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.633 -1.694 17629 4305 1 13 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.341 1.315 17629 4306 1 13 . 1 1 41 41 LEU H H 41 9.626 9.626 8.693 0.933 17629 4307 1 13 . 1 1 42 42 VAL N N 42 120.248 120.248 118.240 2.008 17629 4308 1 13 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.773 0.335 17629 4309 1 13 . 1 1 42 42 VAL C C 42 173.905 173.905 177.466 -3.561 17629 4310 1 13 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.849 -1.550 17629 4311 1 13 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.556 0.206 17629 4312 1 13 . 1 1 42 42 VAL H H 42 8.593 8.593 8.551 0.042 17629 4313 1 13 . 1 1 43 43 ALA N N 43 130.238 130.238 119.892 10.346 17629 4314 1 13 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.115 1.374 17629 4315 1 13 . 1 1 43 43 ALA C C 43 174.736 174.736 178.252 -3.516 17629 4316 1 13 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.281 -3.583 17629 4317 1 13 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.227 5.899 17629 4318 1 13 . 1 1 43 43 ALA H H 43 9.080 9.080 8.091 0.989 17629 4319 1 13 . 1 1 44 44 GLU N N 44 118.066 118.066 119.064 -0.998 17629 4320 1 13 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.212 1.158 17629 4321 1 13 . 1 1 44 44 GLU C C 44 176.343 176.343 176.594 -0.251 17629 4322 1 13 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.007 -3.093 17629 4323 1 13 . 1 1 44 44 GLU H H 44 9.055 9.055 7.654 1.401 17629 4324 1 13 . 1 1 45 45 ASN N N 45 118.721 118.721 116.954 1.767 17629 4325 1 13 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.768 0.052 17629 4326 1 13 . 1 1 45 45 ASN C C 45 175.581 175.581 175.268 0.313 17629 4327 1 13 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.286 -1.285 17629 4328 1 13 . 1 1 45 45 ASN CB C 45 37.767 37.767 38.911 -1.144 17629 4329 1 13 . 1 1 45 45 ASN H H 45 8.342 8.342 8.088 0.254 17629 4330 1 13 . 1 1 46 46 GLU N N 46 120.491 120.491 122.322 -1.831 17629 4331 1 13 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.555 -0.605 17629 4332 1 13 . 1 1 46 46 GLU C C 46 177.658 177.658 174.996 2.662 17629 4333 1 13 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.721 4.417 17629 4334 1 13 . 1 1 46 46 GLU CB C 46 29.508 29.508 30.841 -1.333 17629 4335 1 13 . 1 1 46 46 GLU H H 46 8.521 8.521 7.894 0.627 17629 4336 1 13 . 1 1 47 47 SER N N 47 109.172 109.172 122.441 -13.269 17629 4337 1 13 . 1 1 47 47 SER HA H 47 4.376 4.376 5.107 -0.731 17629 4338 1 13 . 1 1 47 47 SER C C 47 175.760 175.760 173.777 1.983 17629 4339 1 13 . 1 1 47 47 SER CA C 47 58.349 58.349 56.981 1.368 17629 4340 1 13 . 1 1 47 47 SER CB C 47 63.906 63.906 66.647 -2.741 17629 4341 1 13 . 1 1 47 47 SER H H 47 8.029 8.029 8.572 -0.543 17629 4342 1 13 . 1 1 48 48 GLY N N 48 112.365 112.365 109.681 2.684 17629 4343 1 13 . 1 1 48 48 GLY C C 48 174.289 174.289 171.835 2.454 17629 4344 1 13 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.516 0.430 17629 4345 1 13 . 1 1 48 48 GLY H H 48 8.002 8.002 8.854 -0.852 17629 4346 1 13 . 1 1 49 49 SER N N 49 116.280 116.280 115.449 0.831 17629 4347 1 13 . 1 1 49 49 SER HA H 49 4.387 4.387 5.074 -0.687 17629 4348 1 13 . 1 1 49 49 SER C C 49 174.474 174.474 174.549 -0.075 17629 4349 1 13 . 1 1 49 49 SER CA C 49 58.778 58.778 57.667 1.111 17629 4350 1 13 . 1 1 49 49 SER CB C 49 64.138 64.138 64.704 -0.565 17629 4351 1 13 . 1 1 49 49 SER H H 49 8.529 8.529 8.102 0.427 17629 4352 1 13 . 1 1 50 50 LYS N N 50 122.336 122.336 115.948 6.388 17629 4353 1 13 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.235 -0.558 17629 4354 1 13 . 1 1 50 50 LYS C C 50 173.788 173.788 174.000 -0.212 17629 4355 1 13 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.196 3.725 17629 4356 1 13 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.458 1.204 17629 4357 1 13 . 1 1 50 50 LYS H H 50 7.879 7.879 9.363 -1.484 17629 4358 1 13 . 1 1 51 51 THR HA H 51 5.465 5.465 4.061 1.404 17629 4359 1 13 . 1 1 51 51 THR C C 51 173.478 173.478 174.135 -0.657 17629 4360 1 13 . 1 1 51 51 THR CA C 51 59.703 59.703 61.464 -1.761 17629 4361 1 13 . 1 1 51 51 THR CB C 51 71.505 71.505 69.040 2.465 17629 4362 1 13 . 1 1 52 52 GLY N N 52 110.609 110.609 111.490 -0.881 17629 4363 1 13 . 1 1 52 52 GLY C C 52 170.386 170.386 175.730 -5.344 17629 4364 1 13 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.912 -1.535 17629 4365 1 13 . 1 1 52 52 GLY H H 52 9.039 9.039 8.526 0.513 17629 4366 1 13 . 1 1 53 53 LEU N N 53 120.239 120.239 119.586 0.653 17629 4367 1 13 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.306 0.893 17629 4368 1 13 . 1 1 53 53 LEU C C 53 177.929 177.929 176.250 1.679 17629 4369 1 13 . 1 1 53 53 LEU CA C 53 54.618 54.618 55.804 -1.186 17629 4370 1 13 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.262 2.782 17629 4371 1 13 . 1 1 53 53 LEU H H 53 9.169 9.169 8.511 0.658 17629 4372 1 13 . 1 1 54 54 VAL N N 54 111.925 111.925 115.613 -3.688 17629 4373 1 13 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.470 0.370 17629 4374 1 13 . 1 1 54 54 VAL C C 54 172.319 172.319 174.566 -2.247 17629 4375 1 13 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.851 -3.661 17629 4376 1 13 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.870 0.332 17629 4377 1 13 . 1 1 54 54 VAL H H 54 9.191 9.191 7.581 1.610 17629 4378 1 13 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.379 -1.266 17629 4379 1 13 . 1 1 55 55 PRO C C 55 178.107 178.107 176.382 1.725 17629 4380 1 13 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.278 0.758 17629 4381 1 13 . 1 1 55 55 PRO CB C 55 31.430 31.430 34.720 -3.290 17629 4382 1 13 . 1 1 56 56 GLU N N 56 126.923 126.923 120.057 6.866 17629 4383 1 13 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.670 -0.914 17629 4384 1 13 . 1 1 56 56 GLU C C 56 177.586 177.586 176.115 1.471 17629 4385 1 13 . 1 1 56 56 GLU CA C 56 59.052 59.052 55.015 4.037 17629 4386 1 13 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.326 -1.113 17629 4387 1 13 . 1 1 56 56 GLU H H 56 8.503 8.503 8.663 -0.160 17629 4388 1 13 . 1 1 57 57 GLU N N 57 113.138 113.138 128.072 -14.934 17629 4389 1 13 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.303 0.032 17629 4390 1 13 . 1 1 57 57 GLU C C 57 175.950 175.950 177.162 -1.212 17629 4391 1 13 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.069 -0.435 17629 4392 1 13 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.486 0.329 17629 4393 1 13 . 1 1 57 57 GLU H H 57 8.743 8.743 8.951 -0.208 17629 4394 1 13 . 1 1 58 58 PHE N N 58 116.994 116.994 124.753 -7.759 17629 4395 1 13 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.631 0.156 17629 4396 1 13 . 1 1 58 58 PHE C C 58 174.773 174.773 174.760 0.013 17629 4397 1 13 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.104 -1.433 17629 4398 1 13 . 1 1 58 58 PHE H H 58 8.002 8.002 8.036 -0.034 17629 4399 1 13 . 1 1 59 59 VAL N N 59 110.037 110.037 123.151 -13.114 17629 4400 1 13 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.480 0.930 17629 4401 1 13 . 1 1 59 59 VAL C C 59 173.781 173.781 174.171 -0.390 17629 4402 1 13 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.749 -1.827 17629 4403 1 13 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.408 0.764 17629 4404 1 13 . 1 1 59 59 VAL H H 59 7.328 7.328 8.284 -0.956 17629 4405 1 13 . 1 1 60 60 SER HA H 60 4.711 4.711 4.429 0.282 17629 4406 1 13 . 1 1 60 60 SER C C 60 174.901 174.901 174.219 0.682 17629 4407 1 13 . 1 1 60 60 SER CA C 60 55.416 55.416 59.214 -3.798 17629 4408 1 13 . 1 1 60 60 SER CB C 60 64.846 64.846 63.816 1.030 17629 4409 1 13 . 1 1 61 61 TYR N N 61 126.709 126.709 118.015 8.694 17629 4410 1 13 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.666 -0.092 17629 4411 1 13 . 1 1 61 61 TYR C C 61 176.232 176.232 174.478 1.754 17629 4412 1 13 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.025 1.215 17629 4413 1 13 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.433 -0.447 17629 4414 1 13 . 1 1 61 61 TYR H H 61 8.560 8.560 8.296 0.264 17629 4415 1 13 . 1 1 62 62 ILE N N 62 122.059 122.059 117.376 4.683 17629 4416 1 13 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.671 -0.428 17629 4417 1 13 . 1 1 62 62 ILE C C 62 175.812 175.812 174.229 1.583 17629 4418 1 13 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.515 0.115 17629 4419 1 13 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.864 -0.704 17629 4420 1 13 . 1 1 62 62 ILE H H 62 8.303 8.303 7.449 0.854 17629 4421 1 14 . 1 1 2 2 LYS N N 2 125.410 125.410 124.211 1.199 17629 4422 1 14 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.620 -0.502 17629 4423 1 14 . 1 1 2 2 LYS C C 2 176.439 176.439 176.136 0.303 17629 4424 1 14 . 1 1 2 2 LYS CA C 2 51.573 51.573 50.674 0.899 17629 4425 1 14 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.786 -0.586 17629 4426 1 14 . 1 1 2 2 LYS H H 2 8.079 8.079 7.877 0.202 17629 4427 1 14 . 1 1 3 3 PHE N N 3 123.092 123.092 125.308 -2.216 17629 4428 1 14 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.070 -0.649 17629 4429 1 14 . 1 1 3 3 PHE C C 3 175.856 175.856 174.846 1.010 17629 4430 1 14 . 1 1 3 3 PHE CA C 3 61.665 61.665 61.048 0.617 17629 4431 1 14 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.386 -0.775 17629 4432 1 14 . 1 1 3 3 PHE H H 3 8.251 8.251 8.799 -0.548 17629 4433 1 14 . 1 1 4 4 ILE N N 4 125.149 125.149 118.537 6.612 17629 4434 1 14 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.584 -0.369 17629 4435 1 14 . 1 1 4 4 ILE C C 4 175.190 175.190 172.810 2.380 17629 4436 1 14 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.448 1.331 17629 4437 1 14 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.864 -2.332 17629 4438 1 14 . 1 1 4 4 ILE H H 4 7.775 7.775 8.862 -1.087 17629 4439 1 14 . 1 1 5 5 PRO N N 5 121.258 121.258 119.281 1.977 17629 4440 1 14 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.015 -1.256 17629 4441 1 14 . 1 1 5 5 PRO C C 5 174.455 174.455 173.484 0.971 17629 4442 1 14 . 1 1 5 5 PRO CA C 5 53.340 53.340 50.308 3.032 17629 4443 1 14 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.961 -5.091 17629 4444 1 14 . 1 1 5 5 PRO H H 5 8.238 8.238 8.410 -0.172 17629 4445 1 14 . 1 1 6 6 SER N N 6 118.930 118.930 126.764 -7.834 17629 4446 1 14 . 1 1 6 6 SER HA H 6 4.439 4.439 4.696 -0.257 17629 4447 1 14 . 1 1 6 6 SER C C 6 174.756 174.756 175.819 -1.063 17629 4448 1 14 . 1 1 6 6 SER CA C 6 55.269 55.269 55.260 0.009 17629 4449 1 14 . 1 1 6 6 SER CB C 6 31.970 31.970 28.945 3.026 17629 4450 1 14 . 1 1 6 6 SER H H 6 9.042 9.042 8.937 0.105 17629 4451 1 14 . 1 1 7 7 ARG N N 7 124.908 124.908 124.826 0.082 17629 4452 1 14 . 1 1 7 7 ARG HA H 7 4.998 4.998 4.014 0.984 17629 4453 1 14 . 1 1 7 7 ARG C C 7 175.313 175.313 175.608 -0.295 17629 4454 1 14 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.596 -1.127 17629 4455 1 14 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.281 2.259 17629 4456 1 14 . 1 1 7 7 ARG H H 7 7.601 7.601 8.869 -1.268 17629 4457 1 14 . 1 1 8 8 ALA N N 8 126.210 126.210 116.854 9.356 17629 4458 1 14 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.302 0.688 17629 4459 1 14 . 1 1 8 8 ALA C C 8 173.314 173.314 176.098 -2.784 17629 4460 1 14 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.419 1.351 17629 4461 1 14 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.430 1.786 17629 4462 1 14 . 1 1 8 8 ALA H H 8 9.198 9.198 7.124 2.074 17629 4463 1 14 . 1 1 9 9 ALA N N 9 117.480 117.480 120.925 -3.445 17629 4464 1 14 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.394 -0.790 17629 4465 1 14 . 1 1 9 9 ALA C C 9 174.805 174.805 175.185 -0.380 17629 4466 1 14 . 1 1 9 9 ALA CA C 9 57.825 57.825 63.477 -5.652 17629 4467 1 14 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.342 2.815 17629 4468 1 14 . 1 1 9 9 ALA H H 9 8.571 8.571 8.081 0.490 17629 4469 1 14 . 1 1 10 10 PRO N N 10 127.491 127.491 126.590 0.901 17629 4470 1 14 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.920 -0.451 17629 4471 1 14 . 1 1 10 10 PRO C C 10 178.703 178.703 175.060 3.643 17629 4472 1 14 . 1 1 10 10 PRO CA C 10 51.821 51.821 50.889 0.932 17629 4473 1 14 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.822 -3.625 17629 4474 1 14 . 1 1 10 10 PRO H H 10 9.208 9.208 8.901 0.307 17629 4475 1 14 . 1 1 11 11 LYS N N 11 127.224 127.224 125.773 1.451 17629 4476 1 14 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.477 0.070 17629 4477 1 14 . 1 1 11 11 LYS C C 11 175.084 175.084 173.812 1.272 17629 4478 1 14 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.667 5.678 17629 4479 1 14 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.811 -0.374 17629 4480 1 14 . 1 1 11 11 LYS H H 11 8.270 8.270 7.981 0.289 17629 4481 1 14 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.493 -0.738 17629 4482 1 14 . 1 1 12 12 PRO C C 12 173.503 173.503 174.481 -0.978 17629 4483 1 14 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.703 3.084 17629 4484 1 14 . 1 1 13 13 PRO N N 13 117.819 117.819 122.166 -4.347 17629 4485 1 14 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.455 -0.137 17629 4486 1 14 . 1 1 13 13 PRO C C 13 175.940 175.940 175.401 0.539 17629 4487 1 14 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.039 1.530 17629 4488 1 14 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.864 -0.374 17629 4489 1 14 . 1 1 13 13 PRO H H 13 8.361 8.361 8.641 -0.280 17629 4490 1 14 . 1 1 14 14 SER N N 14 122.300 122.300 118.675 3.625 17629 4491 1 14 . 1 1 14 14 SER HA H 14 4.361 4.361 4.622 -0.261 17629 4492 1 14 . 1 1 14 14 SER C C 14 172.522 172.522 174.772 -2.250 17629 4493 1 14 . 1 1 14 14 SER CA C 14 56.389 56.389 57.510 -1.121 17629 4494 1 14 . 1 1 14 14 SER CB C 14 42.864 42.864 40.850 2.014 17629 4495 1 14 . 1 1 14 14 SER H H 14 8.138 8.138 7.838 0.300 17629 4496 1 14 . 1 1 15 15 GLU N N 15 128.991 128.991 117.612 11.379 17629 4497 1 14 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.330 0.357 17629 4498 1 14 . 1 1 15 15 GLU C C 15 172.941 172.941 175.450 -2.509 17629 4499 1 14 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.119 -5.704 17629 4500 1 14 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.208 0.982 17629 4501 1 14 . 1 1 15 15 GLU H H 15 8.234 8.234 8.619 -0.385 17629 4502 1 14 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.351 -0.050 17629 4503 1 14 . 1 1 16 16 ALA C C 16 177.175 177.175 176.086 1.089 17629 4504 1 14 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.618 -0.019 17629 4505 1 14 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.851 1.634 17629 4506 1 14 . 1 1 16 16 ALA H H 16 8.263 8.263 7.825 0.438 17629 4507 1 14 . 1 1 17 17 GLU N N 17 119.882 119.882 119.620 0.262 17629 4508 1 14 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.614 -0.235 17629 4509 1 14 . 1 1 17 17 GLU C C 17 175.065 175.065 174.706 0.359 17629 4510 1 14 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.659 -0.078 17629 4511 1 14 . 1 1 17 17 GLU CB C 17 31.777 31.777 31.970 -0.193 17629 4512 1 14 . 1 1 17 17 GLU H H 17 8.952 8.952 7.455 1.497 17629 4513 1 14 . 1 1 18 18 ASN N N 18 114.565 114.565 119.708 -5.143 17629 4514 1 14 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.134 -0.264 17629 4515 1 14 . 1 1 18 18 ASN C C 18 175.256 175.256 174.365 0.891 17629 4516 1 14 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.585 0.365 17629 4517 1 14 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.403 2.043 17629 4518 1 14 . 1 1 18 18 ASN H H 18 7.177 7.177 8.842 -1.665 17629 4519 1 14 . 1 1 19 19 ASP N N 19 120.622 120.622 120.667 -0.045 17629 4520 1 14 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.933 -0.421 17629 4521 1 14 . 1 1 19 19 ASP C C 19 175.848 175.848 175.547 0.301 17629 4522 1 14 . 1 1 19 19 ASP CA C 19 56.450 56.450 53.818 2.632 17629 4523 1 14 . 1 1 19 19 ASP CB C 19 40.659 40.659 42.123 -1.464 17629 4524 1 14 . 1 1 19 19 ASP H H 19 8.753 8.753 8.303 0.450 17629 4525 1 14 . 1 1 20 20 ASN N N 20 115.197 115.197 117.670 -2.473 17629 4526 1 14 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.196 -0.431 17629 4527 1 14 . 1 1 20 20 ASN C C 20 174.017 174.017 174.040 -0.023 17629 4528 1 14 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.470 -6.052 17629 4529 1 14 . 1 1 20 20 ASN H H 20 8.124 8.124 8.849 -0.725 17629 4530 1 14 . 1 1 21 21 GLU N N 21 119.591 119.591 123.795 -4.204 17629 4531 1 14 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.912 -0.063 17629 4532 1 14 . 1 1 21 21 GLU C C 21 174.638 174.638 174.587 0.051 17629 4533 1 14 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.356 -0.811 17629 4534 1 14 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.993 -0.285 17629 4535 1 14 . 1 1 21 21 GLU H H 21 7.453 7.453 8.874 -1.421 17629 4536 1 14 . 1 1 22 22 LEU N N 22 126.694 126.694 126.668 0.026 17629 4537 1 14 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.817 0.538 17629 4538 1 14 . 1 1 22 22 LEU C C 22 173.258 173.258 177.939 -4.681 17629 4539 1 14 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.533 -3.086 17629 4540 1 14 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.639 2.711 17629 4541 1 14 . 1 1 22 22 LEU H H 22 8.765 8.765 8.583 0.182 17629 4542 1 14 . 1 1 23 23 ARG N N 23 123.640 123.640 127.854 -4.214 17629 4543 1 14 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.843 0.333 17629 4544 1 14 . 1 1 23 23 ARG C C 23 176.038 176.038 175.663 0.375 17629 4545 1 14 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.735 1.384 17629 4546 1 14 . 1 1 23 23 ARG H H 23 8.023 8.023 8.744 -0.721 17629 4547 1 14 . 1 1 24 24 LEU N N 24 122.047 122.047 122.621 -0.574 17629 4548 1 14 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.476 0.450 17629 4549 1 14 . 1 1 24 24 LEU C C 24 176.320 176.320 176.129 0.191 17629 4550 1 14 . 1 1 24 24 LEU CA C 24 53.589 53.589 54.924 -1.335 17629 4551 1 14 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.075 2.765 17629 4552 1 14 . 1 1 24 24 LEU H H 24 8.686 8.686 8.122 0.564 17629 4553 1 14 . 1 1 25 25 ALA N N 25 127.826 127.826 123.387 4.439 17629 4554 1 14 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.714 0.336 17629 4555 1 14 . 1 1 25 25 ALA C C 25 176.497 176.497 176.859 -0.362 17629 4556 1 14 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.659 -0.923 17629 4557 1 14 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.647 1.120 17629 4558 1 14 . 1 1 25 25 ALA H H 25 8.747 8.747 8.295 0.452 17629 4559 1 14 . 1 1 26 26 GLU N N 26 121.396 121.396 117.737 3.659 17629 4560 1 14 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.956 -1.765 17629 4561 1 14 . 1 1 26 26 GLU C C 26 177.095 177.095 174.349 2.746 17629 4562 1 14 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.531 4.924 17629 4563 1 14 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.574 -4.134 17629 4564 1 14 . 1 1 26 26 GLU H H 26 8.756 8.756 8.806 -0.050 17629 4565 1 14 . 1 1 27 27 GLY N N 27 115.237 115.237 109.145 6.092 17629 4566 1 14 . 1 1 27 27 GLY C C 27 174.571 174.571 174.569 0.002 17629 4567 1 14 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.854 1.922 17629 4568 1 14 . 1 1 27 27 GLY H H 27 8.878 8.878 8.704 0.174 17629 4569 1 14 . 1 1 28 28 ASP N N 28 122.805 122.805 125.647 -2.842 17629 4570 1 14 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.691 -0.209 17629 4571 1 14 . 1 1 28 28 ASP C C 28 174.781 174.781 176.997 -2.216 17629 4572 1 14 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.922 2.571 17629 4573 1 14 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.846 3.888 17629 4574 1 14 . 1 1 28 28 ASP H H 28 8.655 8.655 8.949 -0.294 17629 4575 1 14 . 1 1 29 29 ILE N N 29 120.912 120.912 129.061 -8.149 17629 4576 1 14 . 1 1 29 29 ILE HA H 29 4.909 4.909 3.953 0.956 17629 4577 1 14 . 1 1 29 29 ILE C C 29 176.392 176.392 175.140 1.252 17629 4578 1 14 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.122 -6.187 17629 4579 1 14 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.043 -1.433 17629 4580 1 14 . 1 1 29 29 ILE H H 29 8.484 8.484 8.656 -0.172 17629 4581 1 14 . 1 1 30 30 VAL N N 30 118.766 118.766 113.538 5.228 17629 4582 1 14 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.332 0.512 17629 4583 1 14 . 1 1 30 30 VAL C C 30 173.455 173.455 173.266 0.189 17629 4584 1 14 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.798 -2.663 17629 4585 1 14 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.914 2.556 17629 4586 1 14 . 1 1 30 30 VAL H H 30 8.840 8.840 7.429 1.411 17629 4587 1 14 . 1 1 31 31 PHE N N 31 118.993 118.993 123.163 -4.170 17629 4588 1 14 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.638 0.328 17629 4589 1 14 . 1 1 31 31 PHE C C 31 175.600 175.600 174.618 0.982 17629 4590 1 14 . 1 1 31 31 PHE CA C 31 56.697 56.697 57.857 -1.160 17629 4591 1 14 . 1 1 31 31 PHE CB C 31 41.170 41.170 40.077 1.093 17629 4592 1 14 . 1 1 31 31 PHE H H 31 8.961 8.961 8.874 0.087 17629 4593 1 14 . 1 1 32 32 ILE N N 32 124.714 124.714 126.374 -1.660 17629 4594 1 14 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.486 -0.116 17629 4595 1 14 . 1 1 32 32 ILE C C 32 175.776 175.776 175.671 0.105 17629 4596 1 14 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.411 -1.862 17629 4597 1 14 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.626 -5.591 17629 4598 1 14 . 1 1 32 32 ILE H H 32 9.043 9.043 8.247 0.796 17629 4599 1 14 . 1 1 33 33 SER N N 33 124.251 124.251 115.377 8.874 17629 4600 1 14 . 1 1 33 33 SER HA H 33 4.630 4.630 4.127 0.503 17629 4601 1 14 . 1 1 33 33 SER C C 33 175.353 175.353 174.486 0.867 17629 4602 1 14 . 1 1 33 33 SER CA C 33 59.396 59.396 58.582 0.814 17629 4603 1 14 . 1 1 33 33 SER H H 33 9.128 9.128 8.072 1.056 17629 4604 1 14 . 1 1 34 34 TYR N N 34 114.956 114.956 116.796 -1.840 17629 4605 1 14 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.274 0.574 17629 4606 1 14 . 1 1 34 34 TYR C C 34 172.582 172.582 175.915 -3.333 17629 4607 1 14 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.094 -1.972 17629 4608 1 14 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.491 3.769 17629 4609 1 14 . 1 1 34 34 TYR H H 34 7.457 7.457 8.722 -1.265 17629 4610 1 14 . 1 1 35 35 LYS N N 35 122.237 122.237 115.096 7.141 17629 4611 1 14 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.636 0.963 17629 4612 1 14 . 1 1 35 35 LYS C C 35 175.174 175.174 174.630 0.544 17629 4613 1 14 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.236 -0.489 17629 4614 1 14 . 1 1 35 35 LYS H H 35 8.697 8.697 8.534 0.163 17629 4615 1 14 . 1 1 36 36 HIS N N 36 127.413 127.413 117.448 9.965 17629 4616 1 14 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.843 -0.191 17629 4617 1 14 . 1 1 36 36 HIS C C 36 175.918 175.918 173.810 2.108 17629 4618 1 14 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.665 3.669 17629 4619 1 14 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.946 0.836 17629 4620 1 14 . 1 1 36 36 HIS H H 36 8.122 8.122 7.705 0.417 17629 4621 1 14 . 1 1 37 37 GLY N N 37 105.500 105.500 108.775 -3.275 17629 4622 1 14 . 1 1 37 37 GLY C C 37 174.073 174.073 174.169 -0.096 17629 4623 1 14 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.025 -0.241 17629 4624 1 14 . 1 1 37 37 GLY H H 37 8.000 8.000 9.289 -1.289 17629 4625 1 14 . 1 1 38 38 GLN N N 38 114.228 114.228 123.629 -9.401 17629 4626 1 14 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.714 -0.623 17629 4627 1 14 . 1 1 38 38 GLN C C 38 175.546 175.546 174.775 0.771 17629 4628 1 14 . 1 1 38 38 GLN CA C 38 56.938 56.938 56.484 0.454 17629 4629 1 14 . 1 1 38 38 GLN CB C 38 27.560 27.560 28.152 -0.592 17629 4630 1 14 . 1 1 38 38 GLN H H 38 9.025 9.025 7.788 1.237 17629 4631 1 14 . 1 1 39 39 GLY N N 39 104.000 104.000 115.620 -11.620 17629 4632 1 14 . 1 1 39 39 GLY C C 39 174.892 174.892 172.599 2.293 17629 4633 1 14 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.971 2.639 17629 4634 1 14 . 1 1 39 39 GLY H H 39 8.664 8.664 8.861 -0.197 17629 4635 1 14 . 1 1 40 40 TRP N N 40 120.355 120.355 120.788 -0.433 17629 4636 1 14 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.447 -0.196 17629 4637 1 14 . 1 1 40 40 TRP C C 40 175.702 175.702 175.907 -0.205 17629 4638 1 14 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.752 1.847 17629 4639 1 14 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.238 0.120 17629 4640 1 14 . 1 1 40 40 TRP H H 40 7.938 7.938 8.282 -0.344 17629 4641 1 14 . 1 1 41 41 LEU N N 41 121.736 121.736 121.484 0.252 17629 4642 1 14 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.172 0.795 17629 4643 1 14 . 1 1 41 41 LEU C C 41 174.893 174.893 177.689 -2.796 17629 4644 1 14 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.519 -1.580 17629 4645 1 14 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.432 1.224 17629 4646 1 14 . 1 1 41 41 LEU H H 41 9.626 9.626 8.488 1.138 17629 4647 1 14 . 1 1 42 42 VAL N N 42 120.248 120.248 118.370 1.878 17629 4648 1 14 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.838 0.270 17629 4649 1 14 . 1 1 42 42 VAL C C 42 173.905 173.905 177.483 -3.578 17629 4650 1 14 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.556 -1.257 17629 4651 1 14 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.793 -0.031 17629 4652 1 14 . 1 1 42 42 VAL H H 42 8.593 8.593 8.545 0.048 17629 4653 1 14 . 1 1 43 43 ALA N N 43 130.238 130.238 121.067 9.171 17629 4654 1 14 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.165 1.324 17629 4655 1 14 . 1 1 43 43 ALA C C 43 174.736 174.736 178.648 -3.912 17629 4656 1 14 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.191 -3.494 17629 4657 1 14 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.203 5.923 17629 4658 1 14 . 1 1 43 43 ALA H H 43 9.080 9.080 8.063 1.017 17629 4659 1 14 . 1 1 44 44 GLU N N 44 118.066 118.066 119.541 -1.475 17629 4660 1 14 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.144 1.226 17629 4661 1 14 . 1 1 44 44 GLU C C 44 176.343 176.343 175.979 0.364 17629 4662 1 14 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.380 -3.466 17629 4663 1 14 . 1 1 44 44 GLU H H 44 9.055 9.055 7.779 1.276 17629 4664 1 14 . 1 1 45 45 ASN N N 45 118.721 118.721 117.088 1.633 17629 4665 1 14 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.755 0.065 17629 4666 1 14 . 1 1 45 45 ASN C C 45 175.581 175.581 174.468 1.113 17629 4667 1 14 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.316 -1.315 17629 4668 1 14 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.213 -1.446 17629 4669 1 14 . 1 1 45 45 ASN H H 45 8.342 8.342 8.159 0.183 17629 4670 1 14 . 1 1 46 46 GLU N N 46 120.491 120.491 122.910 -2.419 17629 4671 1 14 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.585 -0.635 17629 4672 1 14 . 1 1 46 46 GLU C C 46 177.658 177.658 174.489 3.169 17629 4673 1 14 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.703 4.434 17629 4674 1 14 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.336 -1.828 17629 4675 1 14 . 1 1 46 46 GLU H H 46 8.521 8.521 7.837 0.684 17629 4676 1 14 . 1 1 47 47 SER N N 47 109.172 109.172 122.306 -13.134 17629 4677 1 14 . 1 1 47 47 SER HA H 47 4.376 4.376 5.045 -0.669 17629 4678 1 14 . 1 1 47 47 SER C C 47 175.760 175.760 173.697 2.063 17629 4679 1 14 . 1 1 47 47 SER CA C 47 58.349 58.349 57.169 1.180 17629 4680 1 14 . 1 1 47 47 SER CB C 47 63.906 63.906 66.564 -2.658 17629 4681 1 14 . 1 1 47 47 SER H H 47 8.029 8.029 8.642 -0.613 17629 4682 1 14 . 1 1 48 48 GLY N N 48 112.365 112.365 111.874 0.491 17629 4683 1 14 . 1 1 48 48 GLY C C 48 174.289 174.289 171.904 2.385 17629 4684 1 14 . 1 1 48 48 GLY CA C 48 45.946 45.946 44.957 0.989 17629 4685 1 14 . 1 1 48 48 GLY H H 48 8.002 8.002 9.016 -1.014 17629 4686 1 14 . 1 1 49 49 SER N N 49 116.280 116.280 115.520 0.760 17629 4687 1 14 . 1 1 49 49 SER HA H 49 4.387 4.387 4.996 -0.609 17629 4688 1 14 . 1 1 49 49 SER C C 49 174.474 174.474 174.270 0.204 17629 4689 1 14 . 1 1 49 49 SER CA C 49 58.778 58.778 57.612 1.165 17629 4690 1 14 . 1 1 49 49 SER CB C 49 64.138 64.138 65.130 -0.992 17629 4691 1 14 . 1 1 49 49 SER H H 49 8.529 8.529 8.330 0.199 17629 4692 1 14 . 1 1 50 50 LYS N N 50 122.336 122.336 116.838 5.498 17629 4693 1 14 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.361 -0.684 17629 4694 1 14 . 1 1 50 50 LYS C C 50 173.788 173.788 174.161 -0.373 17629 4695 1 14 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.022 3.900 17629 4696 1 14 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.343 1.319 17629 4697 1 14 . 1 1 50 50 LYS H H 50 7.879 7.879 9.363 -1.484 17629 4698 1 14 . 1 1 51 51 THR HA H 51 5.465 5.465 4.002 1.463 17629 4699 1 14 . 1 1 51 51 THR C C 51 173.478 173.478 173.803 -0.325 17629 4700 1 14 . 1 1 51 51 THR CA C 51 59.703 59.703 61.508 -1.805 17629 4701 1 14 . 1 1 51 51 THR CB C 51 71.505 71.505 69.220 2.285 17629 4702 1 14 . 1 1 52 52 GLY N N 52 110.609 110.609 110.655 -0.046 17629 4703 1 14 . 1 1 52 52 GLY C C 52 170.386 170.386 176.931 -6.545 17629 4704 1 14 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.711 -1.334 17629 4705 1 14 . 1 1 52 52 GLY H H 52 9.039 9.039 8.175 0.864 17629 4706 1 14 . 1 1 53 53 LEU N N 53 120.239 120.239 119.469 0.770 17629 4707 1 14 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.260 0.939 17629 4708 1 14 . 1 1 53 53 LEU C C 53 177.929 177.929 176.668 1.261 17629 4709 1 14 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.788 -2.170 17629 4710 1 14 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.570 2.474 17629 4711 1 14 . 1 1 53 53 LEU H H 53 9.169 9.169 8.439 0.730 17629 4712 1 14 . 1 1 54 54 VAL N N 54 111.925 111.925 115.824 -3.899 17629 4713 1 14 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.585 0.255 17629 4714 1 14 . 1 1 54 54 VAL C C 54 172.319 172.319 174.571 -2.252 17629 4715 1 14 . 1 1 54 54 VAL CA C 54 57.190 57.190 61.097 -3.908 17629 4716 1 14 . 1 1 54 54 VAL CB C 54 34.202 34.202 32.772 1.430 17629 4717 1 14 . 1 1 54 54 VAL H H 54 9.191 9.191 7.925 1.266 17629 4718 1 14 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.384 -1.271 17629 4719 1 14 . 1 1 55 55 PRO C C 55 178.107 178.107 176.055 2.052 17629 4720 1 14 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.109 0.927 17629 4721 1 14 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.560 -4.130 17629 4722 1 14 . 1 1 56 56 GLU N N 56 126.923 126.923 120.255 6.668 17629 4723 1 14 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.668 -0.912 17629 4724 1 14 . 1 1 56 56 GLU C C 56 177.586 177.586 176.307 1.279 17629 4725 1 14 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.963 4.089 17629 4726 1 14 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.301 -1.088 17629 4727 1 14 . 1 1 56 56 GLU H H 56 8.503 8.503 8.619 -0.116 17629 4728 1 14 . 1 1 57 57 GLU N N 57 113.138 113.138 127.739 -14.601 17629 4729 1 14 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.287 0.048 17629 4730 1 14 . 1 1 57 57 GLU C C 57 175.950 175.950 177.098 -1.148 17629 4731 1 14 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.212 -0.578 17629 4732 1 14 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.770 0.045 17629 4733 1 14 . 1 1 57 57 GLU H H 57 8.743 8.743 8.925 -0.182 17629 4734 1 14 . 1 1 58 58 PHE N N 58 116.994 116.994 123.771 -6.777 17629 4735 1 14 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.660 0.127 17629 4736 1 14 . 1 1 58 58 PHE C C 58 174.773 174.773 174.780 -0.007 17629 4737 1 14 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.309 -1.638 17629 4738 1 14 . 1 1 58 58 PHE H H 58 8.002 8.002 7.910 0.092 17629 4739 1 14 . 1 1 59 59 VAL N N 59 110.037 110.037 121.910 -11.873 17629 4740 1 14 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.495 0.915 17629 4741 1 14 . 1 1 59 59 VAL C C 59 173.781 173.781 174.484 -0.703 17629 4742 1 14 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.942 -2.020 17629 4743 1 14 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.127 1.045 17629 4744 1 14 . 1 1 59 59 VAL H H 59 7.328 7.328 8.240 -0.912 17629 4745 1 14 . 1 1 60 60 SER HA H 60 4.711 4.711 4.427 0.284 17629 4746 1 14 . 1 1 60 60 SER C C 60 174.901 174.901 173.955 0.946 17629 4747 1 14 . 1 1 60 60 SER CA C 60 55.416 55.416 59.626 -4.210 17629 4748 1 14 . 1 1 60 60 SER CB C 60 64.846 64.846 63.785 1.062 17629 4749 1 14 . 1 1 61 61 TYR N N 61 126.709 126.709 116.130 10.579 17629 4750 1 14 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.623 -0.049 17629 4751 1 14 . 1 1 61 61 TYR C C 61 176.232 176.232 174.282 1.950 17629 4752 1 14 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.027 1.213 17629 4753 1 14 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.587 -0.601 17629 4754 1 14 . 1 1 61 61 TYR H H 61 8.560 8.560 8.277 0.283 17629 4755 1 14 . 1 1 62 62 ILE N N 62 122.059 122.059 119.765 2.294 17629 4756 1 14 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.569 -0.326 17629 4757 1 14 . 1 1 62 62 ILE C C 62 175.812 175.812 175.173 0.639 17629 4758 1 14 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.129 0.501 17629 4759 1 14 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.538 -0.377 17629 4760 1 14 . 1 1 62 62 ILE H H 62 8.303 8.303 7.533 0.770 17629 4761 1 15 . 1 1 2 2 LYS N N 2 125.410 125.410 124.736 0.674 17629 4762 1 15 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.552 -0.434 17629 4763 1 15 . 1 1 2 2 LYS C C 2 176.439 176.439 176.266 0.173 17629 4764 1 15 . 1 1 2 2 LYS CA C 2 51.573 51.573 50.859 0.714 17629 4765 1 15 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.326 -0.126 17629 4766 1 15 . 1 1 2 2 LYS H H 2 8.079 8.079 7.867 0.212 17629 4767 1 15 . 1 1 3 3 PHE N N 3 123.092 123.092 124.976 -1.884 17629 4768 1 15 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.014 -0.593 17629 4769 1 15 . 1 1 3 3 PHE C C 3 175.856 175.856 174.787 1.069 17629 4770 1 15 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.735 0.930 17629 4771 1 15 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.493 -0.882 17629 4772 1 15 . 1 1 3 3 PHE H H 3 8.251 8.251 8.759 -0.508 17629 4773 1 15 . 1 1 4 4 ILE N N 4 125.149 125.149 118.505 6.644 17629 4774 1 15 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.444 -0.229 17629 4775 1 15 . 1 1 4 4 ILE C C 4 175.190 175.190 172.805 2.385 17629 4776 1 15 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.540 1.239 17629 4777 1 15 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.721 -2.188 17629 4778 1 15 . 1 1 4 4 ILE H H 4 7.775 7.775 8.878 -1.103 17629 4779 1 15 . 1 1 5 5 PRO N N 5 121.258 121.258 119.866 1.392 17629 4780 1 15 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.215 -1.456 17629 4781 1 15 . 1 1 5 5 PRO C C 5 174.455 174.455 173.647 0.808 17629 4782 1 15 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.331 4.009 17629 4783 1 15 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.514 -4.644 17629 4784 1 15 . 1 1 5 5 PRO H H 5 8.238 8.238 8.456 -0.218 17629 4785 1 15 . 1 1 6 6 SER N N 6 118.930 118.930 127.768 -8.838 17629 4786 1 15 . 1 1 6 6 SER HA H 6 4.439 4.439 4.804 -0.365 17629 4787 1 15 . 1 1 6 6 SER C C 6 174.756 174.756 175.973 -1.217 17629 4788 1 15 . 1 1 6 6 SER CA C 6 55.269 55.269 55.137 0.132 17629 4789 1 15 . 1 1 6 6 SER CB C 6 31.970 31.970 29.176 2.794 17629 4790 1 15 . 1 1 6 6 SER H H 6 9.042 9.042 8.731 0.311 17629 4791 1 15 . 1 1 7 7 ARG N N 7 124.908 124.908 122.930 1.978 17629 4792 1 15 . 1 1 7 7 ARG HA H 7 4.998 4.998 4.099 0.899 17629 4793 1 15 . 1 1 7 7 ARG C C 7 175.313 175.313 175.649 -0.336 17629 4794 1 15 . 1 1 7 7 ARG CA C 7 56.469 56.469 56.813 -0.344 17629 4795 1 15 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.264 2.276 17629 4796 1 15 . 1 1 7 7 ARG H H 7 7.601 7.601 8.547 -0.946 17629 4797 1 15 . 1 1 8 8 ALA N N 8 126.210 126.210 118.265 7.945 17629 4798 1 15 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.190 0.800 17629 4799 1 15 . 1 1 8 8 ALA C C 8 173.314 173.314 175.797 -2.483 17629 4800 1 15 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.842 0.929 17629 4801 1 15 . 1 1 8 8 ALA CB C 8 23.215 23.215 20.849 2.365 17629 4802 1 15 . 1 1 8 8 ALA H H 8 9.198 9.198 7.024 2.174 17629 4803 1 15 . 1 1 9 9 ALA N N 9 117.480 117.480 121.926 -4.446 17629 4804 1 15 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.414 -0.810 17629 4805 1 15 . 1 1 9 9 ALA C C 9 174.805 174.805 175.022 -0.217 17629 4806 1 15 . 1 1 9 9 ALA CA C 9 57.825 57.825 63.599 -5.774 17629 4807 1 15 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.731 2.426 17629 4808 1 15 . 1 1 9 9 ALA H H 9 8.571 8.571 8.193 0.378 17629 4809 1 15 . 1 1 10 10 PRO N N 10 127.491 127.491 126.752 0.739 17629 4810 1 15 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.782 -0.313 17629 4811 1 15 . 1 1 10 10 PRO C C 10 178.703 178.703 174.829 3.874 17629 4812 1 15 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.343 0.478 17629 4813 1 15 . 1 1 10 10 PRO CB C 10 20.197 20.197 22.750 -2.553 17629 4814 1 15 . 1 1 10 10 PRO H H 10 9.208 9.208 8.882 0.326 17629 4815 1 15 . 1 1 11 11 LYS N N 11 127.224 127.224 126.029 1.195 17629 4816 1 15 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.428 0.119 17629 4817 1 15 . 1 1 11 11 LYS C C 11 175.084 175.084 173.390 1.694 17629 4818 1 15 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.945 5.400 17629 4819 1 15 . 1 1 11 11 LYS CB C 11 43.437 43.437 44.561 -1.124 17629 4820 1 15 . 1 1 11 11 LYS H H 11 8.270 8.270 7.931 0.339 17629 4821 1 15 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.438 -0.683 17629 4822 1 15 . 1 1 12 12 PRO C C 12 173.503 173.503 174.428 -0.925 17629 4823 1 15 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.471 3.316 17629 4824 1 15 . 1 1 13 13 PRO N N 13 117.819 117.819 120.283 -2.464 17629 4825 1 15 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.409 -0.091 17629 4826 1 15 . 1 1 13 13 PRO C C 13 175.940 175.940 175.789 0.151 17629 4827 1 15 . 1 1 13 13 PRO CA C 13 54.569 54.569 54.637 -0.068 17629 4828 1 15 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.130 0.359 17629 4829 1 15 . 1 1 13 13 PRO H H 13 8.361 8.361 8.451 -0.090 17629 4830 1 15 . 1 1 14 14 SER N N 14 122.300 122.300 118.392 3.908 17629 4831 1 15 . 1 1 14 14 SER HA H 14 4.361 4.361 4.645 -0.284 17629 4832 1 15 . 1 1 14 14 SER C C 14 172.522 172.522 175.186 -2.664 17629 4833 1 15 . 1 1 14 14 SER CA C 14 56.389 56.389 57.241 -0.852 17629 4834 1 15 . 1 1 14 14 SER CB C 14 42.864 42.864 40.288 2.576 17629 4835 1 15 . 1 1 14 14 SER H H 14 8.138 8.138 7.747 0.391 17629 4836 1 15 . 1 1 15 15 GLU N N 15 128.991 128.991 119.227 9.764 17629 4837 1 15 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.427 0.260 17629 4838 1 15 . 1 1 15 15 GLU C C 15 172.941 172.941 175.513 -2.572 17629 4839 1 15 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.204 -5.789 17629 4840 1 15 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.165 1.025 17629 4841 1 15 . 1 1 15 15 GLU H H 15 8.234 8.234 8.595 -0.361 17629 4842 1 15 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.307 -0.006 17629 4843 1 15 . 1 1 16 16 ALA C C 16 177.175 177.175 176.073 1.102 17629 4844 1 15 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.459 0.140 17629 4845 1 15 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.599 1.886 17629 4846 1 15 . 1 1 16 16 ALA H H 16 8.263 8.263 7.883 0.380 17629 4847 1 15 . 1 1 17 17 GLU N N 17 119.882 119.882 119.935 -0.053 17629 4848 1 15 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.698 -0.319 17629 4849 1 15 . 1 1 17 17 GLU C C 17 175.065 175.065 175.327 -0.262 17629 4850 1 15 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.470 0.111 17629 4851 1 15 . 1 1 17 17 GLU CB C 17 31.777 31.777 31.772 0.005 17629 4852 1 15 . 1 1 17 17 GLU H H 17 8.952 8.952 7.503 1.449 17629 4853 1 15 . 1 1 18 18 ASN N N 18 114.565 114.565 119.879 -5.314 17629 4854 1 15 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.140 -0.270 17629 4855 1 15 . 1 1 18 18 ASN C C 18 175.256 175.256 174.406 0.850 17629 4856 1 15 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.454 0.496 17629 4857 1 15 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.663 1.782 17629 4858 1 15 . 1 1 18 18 ASN H H 18 7.177 7.177 8.901 -1.724 17629 4859 1 15 . 1 1 19 19 ASP N N 19 120.622 120.622 122.673 -2.051 17629 4860 1 15 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.680 -0.168 17629 4861 1 15 . 1 1 19 19 ASP C C 19 175.848 175.848 175.523 0.325 17629 4862 1 15 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.549 1.901 17629 4863 1 15 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.649 -0.990 17629 4864 1 15 . 1 1 19 19 ASP H H 19 8.753 8.753 8.432 0.321 17629 4865 1 15 . 1 1 20 20 ASN N N 20 115.197 115.197 117.561 -2.364 17629 4866 1 15 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.187 -0.422 17629 4867 1 15 . 1 1 20 20 ASN C C 20 174.017 174.017 174.028 -0.011 17629 4868 1 15 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.238 -5.820 17629 4869 1 15 . 1 1 20 20 ASN H H 20 8.124 8.124 8.765 -0.641 17629 4870 1 15 . 1 1 21 21 GLU N N 21 119.591 119.591 123.339 -3.748 17629 4871 1 15 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.873 -0.024 17629 4872 1 15 . 1 1 21 21 GLU C C 21 174.638 174.638 174.695 -0.057 17629 4873 1 15 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.039 -0.494 17629 4874 1 15 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.830 -0.122 17629 4875 1 15 . 1 1 21 21 GLU H H 21 7.453 7.453 8.332 -0.879 17629 4876 1 15 . 1 1 22 22 LEU N N 22 126.694 126.694 126.053 0.641 17629 4877 1 15 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.870 0.485 17629 4878 1 15 . 1 1 22 22 LEU C C 22 173.258 173.258 177.549 -4.291 17629 4879 1 15 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.620 -3.172 17629 4880 1 15 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.613 2.737 17629 4881 1 15 . 1 1 22 22 LEU H H 22 8.765 8.765 8.748 0.017 17629 4882 1 15 . 1 1 23 23 ARG N N 23 123.640 123.640 127.270 -3.630 17629 4883 1 15 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.806 0.370 17629 4884 1 15 . 1 1 23 23 ARG C C 23 176.038 176.038 175.976 0.062 17629 4885 1 15 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.779 1.340 17629 4886 1 15 . 1 1 23 23 ARG H H 23 8.023 8.023 8.867 -0.844 17629 4887 1 15 . 1 1 24 24 LEU N N 24 122.047 122.047 122.204 -0.157 17629 4888 1 15 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.437 0.489 17629 4889 1 15 . 1 1 24 24 LEU C C 24 176.320 176.320 175.763 0.557 17629 4890 1 15 . 1 1 24 24 LEU CA C 24 53.589 53.589 53.795 -0.206 17629 4891 1 15 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.265 2.576 17629 4892 1 15 . 1 1 24 24 LEU H H 24 8.686 8.686 7.912 0.774 17629 4893 1 15 . 1 1 25 25 ALA N N 25 127.826 127.826 123.756 4.070 17629 4894 1 15 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.433 0.617 17629 4895 1 15 . 1 1 25 25 ALA C C 25 176.497 176.497 176.588 -0.091 17629 4896 1 15 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.731 -0.995 17629 4897 1 15 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.123 1.644 17629 4898 1 15 . 1 1 25 25 ALA H H 25 8.747 8.747 8.041 0.706 17629 4899 1 15 . 1 1 26 26 GLU N N 26 121.396 121.396 119.611 1.785 17629 4900 1 15 . 1 1 26 26 GLU HA H 26 3.191 3.191 5.080 -1.889 17629 4901 1 15 . 1 1 26 26 GLU C C 26 177.095 177.095 174.364 2.731 17629 4902 1 15 . 1 1 26 26 GLU CA C 26 58.455 58.455 52.843 5.612 17629 4903 1 15 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.330 -3.890 17629 4904 1 15 . 1 1 26 26 GLU H H 26 8.756 8.756 8.746 0.010 17629 4905 1 15 . 1 1 27 27 GLY N N 27 115.237 115.237 109.763 5.474 17629 4906 1 15 . 1 1 27 27 GLY C C 27 174.571 174.571 174.817 -0.246 17629 4907 1 15 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.965 1.810 17629 4908 1 15 . 1 1 27 27 GLY H H 27 8.878 8.878 8.581 0.297 17629 4909 1 15 . 1 1 28 28 ASP N N 28 122.805 122.805 126.403 -3.598 17629 4910 1 15 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.640 -0.158 17629 4911 1 15 . 1 1 28 28 ASP C C 28 174.781 174.781 176.746 -1.965 17629 4912 1 15 . 1 1 28 28 ASP CA C 28 55.493 55.493 53.006 2.487 17629 4913 1 15 . 1 1 28 28 ASP CB C 28 41.734 41.734 38.055 3.679 17629 4914 1 15 . 1 1 28 28 ASP H H 28 8.655 8.655 8.867 -0.212 17629 4915 1 15 . 1 1 29 29 ILE N N 29 120.912 120.912 127.780 -6.868 17629 4916 1 15 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.190 0.719 17629 4917 1 15 . 1 1 29 29 ILE C C 29 176.392 176.392 175.400 0.992 17629 4918 1 15 . 1 1 29 29 ILE CA C 29 58.935 58.935 64.611 -5.676 17629 4919 1 15 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.380 -1.770 17629 4920 1 15 . 1 1 29 29 ILE H H 29 8.484 8.484 8.555 -0.071 17629 4921 1 15 . 1 1 30 30 VAL N N 30 118.766 118.766 114.486 4.280 17629 4922 1 15 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.383 0.461 17629 4923 1 15 . 1 1 30 30 VAL C C 30 173.455 173.455 173.388 0.067 17629 4924 1 15 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.982 -2.847 17629 4925 1 15 . 1 1 30 30 VAL CB C 30 35.470 35.470 33.006 2.464 17629 4926 1 15 . 1 1 30 30 VAL H H 30 8.840 8.840 7.505 1.335 17629 4927 1 15 . 1 1 31 31 PHE N N 31 118.993 118.993 124.612 -5.619 17629 4928 1 15 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.543 0.423 17629 4929 1 15 . 1 1 31 31 PHE C C 31 175.600 175.600 174.586 1.014 17629 4930 1 15 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.111 -1.414 17629 4931 1 15 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.821 1.349 17629 4932 1 15 . 1 1 31 31 PHE H H 31 8.961 8.961 8.647 0.314 17629 4933 1 15 . 1 1 32 32 ILE N N 32 124.714 124.714 125.929 -1.215 17629 4934 1 15 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.459 -0.089 17629 4935 1 15 . 1 1 32 32 ILE C C 32 175.776 175.776 175.624 0.152 17629 4936 1 15 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.453 -1.904 17629 4937 1 15 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.680 -5.645 17629 4938 1 15 . 1 1 32 32 ILE H H 32 9.043 9.043 8.204 0.839 17629 4939 1 15 . 1 1 33 33 SER N N 33 124.251 124.251 115.318 8.933 17629 4940 1 15 . 1 1 33 33 SER HA H 33 4.630 4.630 4.135 0.495 17629 4941 1 15 . 1 1 33 33 SER C C 33 175.353 175.353 174.501 0.852 17629 4942 1 15 . 1 1 33 33 SER CA C 33 59.396 59.396 58.599 0.797 17629 4943 1 15 . 1 1 33 33 SER H H 33 9.128 9.128 8.050 1.078 17629 4944 1 15 . 1 1 34 34 TYR N N 34 114.956 114.956 116.824 -1.868 17629 4945 1 15 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.282 0.566 17629 4946 1 15 . 1 1 34 34 TYR C C 34 172.582 172.582 175.944 -3.362 17629 4947 1 15 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.071 -1.949 17629 4948 1 15 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.451 3.809 17629 4949 1 15 . 1 1 34 34 TYR H H 34 7.457 7.457 8.730 -1.273 17629 4950 1 15 . 1 1 35 35 LYS N N 35 122.237 122.237 115.027 7.210 17629 4951 1 15 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.638 0.961 17629 4952 1 15 . 1 1 35 35 LYS C C 35 175.174 175.174 174.652 0.522 17629 4953 1 15 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.258 -0.511 17629 4954 1 15 . 1 1 35 35 LYS H H 35 8.697 8.697 8.544 0.153 17629 4955 1 15 . 1 1 36 36 HIS N N 36 127.413 127.413 117.408 10.005 17629 4956 1 15 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.827 -0.175 17629 4957 1 15 . 1 1 36 36 HIS C C 36 175.918 175.918 173.799 2.119 17629 4958 1 15 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.671 3.663 17629 4959 1 15 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.978 0.804 17629 4960 1 15 . 1 1 36 36 HIS H H 36 8.122 8.122 7.708 0.414 17629 4961 1 15 . 1 1 37 37 GLY N N 37 105.500 105.500 109.027 -3.527 17629 4962 1 15 . 1 1 37 37 GLY C C 37 174.073 174.073 174.111 -0.038 17629 4963 1 15 . 1 1 37 37 GLY CA C 37 43.784 43.784 43.975 -0.191 17629 4964 1 15 . 1 1 37 37 GLY H H 37 8.000 8.000 9.281 -1.281 17629 4965 1 15 . 1 1 38 38 GLN N N 38 114.228 114.228 123.795 -9.567 17629 4966 1 15 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.779 -0.688 17629 4967 1 15 . 1 1 38 38 GLN C C 38 175.546 175.546 175.021 0.525 17629 4968 1 15 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.342 1.596 17629 4969 1 15 . 1 1 38 38 GLN CB C 38 27.560 27.560 26.886 0.674 17629 4970 1 15 . 1 1 38 38 GLN H H 38 9.025 9.025 7.747 1.278 17629 4971 1 15 . 1 1 39 39 GLY N N 39 104.000 104.000 115.971 -11.971 17629 4972 1 15 . 1 1 39 39 GLY C C 39 174.892 174.892 172.570 2.322 17629 4973 1 15 . 1 1 39 39 GLY CA C 39 45.610 45.610 43.044 2.566 17629 4974 1 15 . 1 1 39 39 GLY H H 39 8.664 8.664 8.893 -0.230 17629 4975 1 15 . 1 1 40 40 TRP N N 40 120.355 120.355 120.056 0.299 17629 4976 1 15 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.462 -0.211 17629 4977 1 15 . 1 1 40 40 TRP C C 40 175.702 175.702 176.086 -0.384 17629 4978 1 15 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.733 1.866 17629 4979 1 15 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.059 0.299 17629 4980 1 15 . 1 1 40 40 TRP H H 40 7.938 7.938 8.281 -0.343 17629 4981 1 15 . 1 1 41 41 LEU N N 41 121.736 121.736 122.280 -0.544 17629 4982 1 15 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.147 0.820 17629 4983 1 15 . 1 1 41 41 LEU C C 41 174.893 174.893 177.335 -2.442 17629 4984 1 15 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.595 -1.656 17629 4985 1 15 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.353 1.303 17629 4986 1 15 . 1 1 41 41 LEU H H 41 9.626 9.626 8.352 1.274 17629 4987 1 15 . 1 1 42 42 VAL N N 42 120.248 120.248 118.542 1.706 17629 4988 1 15 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.798 0.310 17629 4989 1 15 . 1 1 42 42 VAL C C 42 173.905 173.905 177.353 -3.448 17629 4990 1 15 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.634 -1.335 17629 4991 1 15 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.721 0.041 17629 4992 1 15 . 1 1 42 42 VAL H H 42 8.593 8.593 8.646 -0.053 17629 4993 1 15 . 1 1 43 43 ALA N N 43 130.238 130.238 120.582 9.656 17629 4994 1 15 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.140 1.349 17629 4995 1 15 . 1 1 43 43 ALA C C 43 174.736 174.736 178.303 -3.567 17629 4996 1 15 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.401 -3.703 17629 4997 1 15 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.251 5.875 17629 4998 1 15 . 1 1 43 43 ALA H H 43 9.080 9.080 7.899 1.181 17629 4999 1 15 . 1 1 44 44 GLU N N 44 118.066 118.066 119.371 -1.305 17629 5000 1 15 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.114 1.256 17629 5001 1 15 . 1 1 44 44 GLU C C 44 176.343 176.343 176.471 -0.128 17629 5002 1 15 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.066 -3.152 17629 5003 1 15 . 1 1 44 44 GLU H H 44 9.055 9.055 7.751 1.304 17629 5004 1 15 . 1 1 45 45 ASN N N 45 118.721 118.721 117.860 0.861 17629 5005 1 15 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.817 0.003 17629 5006 1 15 . 1 1 45 45 ASN C C 45 175.581 175.581 174.960 0.621 17629 5007 1 15 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.386 -1.385 17629 5008 1 15 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.015 -1.248 17629 5009 1 15 . 1 1 45 45 ASN H H 45 8.342 8.342 8.277 0.065 17629 5010 1 15 . 1 1 46 46 GLU N N 46 120.491 120.491 120.645 -0.154 17629 5011 1 15 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.630 -0.680 17629 5012 1 15 . 1 1 46 46 GLU C C 46 177.658 177.658 174.591 3.067 17629 5013 1 15 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.803 4.335 17629 5014 1 15 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.825 -2.317 17629 5015 1 15 . 1 1 46 46 GLU H H 46 8.521 8.521 7.819 0.702 17629 5016 1 15 . 1 1 47 47 SER N N 47 109.172 109.172 120.444 -11.272 17629 5017 1 15 . 1 1 47 47 SER HA H 47 4.376 4.376 5.106 -0.730 17629 5018 1 15 . 1 1 47 47 SER C C 47 175.760 175.760 173.750 2.010 17629 5019 1 15 . 1 1 47 47 SER CA C 47 58.349 58.349 57.120 1.228 17629 5020 1 15 . 1 1 47 47 SER CB C 47 63.906 63.906 66.635 -2.729 17629 5021 1 15 . 1 1 47 47 SER H H 47 8.029 8.029 8.586 -0.557 17629 5022 1 15 . 1 1 48 48 GLY N N 48 112.365 112.365 111.426 0.939 17629 5023 1 15 . 1 1 48 48 GLY C C 48 174.289 174.289 171.866 2.423 17629 5024 1 15 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.199 0.747 17629 5025 1 15 . 1 1 48 48 GLY H H 48 8.002 8.002 9.026 -1.024 17629 5026 1 15 . 1 1 49 49 SER N N 49 116.280 116.280 115.541 0.739 17629 5027 1 15 . 1 1 49 49 SER HA H 49 4.387 4.387 5.003 -0.616 17629 5028 1 15 . 1 1 49 49 SER C C 49 174.474 174.474 174.169 0.305 17629 5029 1 15 . 1 1 49 49 SER CA C 49 58.778 58.778 57.713 1.065 17629 5030 1 15 . 1 1 49 49 SER CB C 49 64.138 64.138 64.635 -0.497 17629 5031 1 15 . 1 1 49 49 SER H H 49 8.529 8.529 8.069 0.460 17629 5032 1 15 . 1 1 50 50 LYS N N 50 122.336 122.336 118.502 3.834 17629 5033 1 15 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.278 -0.601 17629 5034 1 15 . 1 1 50 50 LYS C C 50 173.788 173.788 174.075 -0.287 17629 5035 1 15 . 1 1 50 50 LYS CA C 50 55.921 55.921 51.792 4.129 17629 5036 1 15 . 1 1 50 50 LYS CB C 50 36.662 36.662 34.759 1.903 17629 5037 1 15 . 1 1 50 50 LYS H H 50 7.879 7.879 9.279 -1.400 17629 5038 1 15 . 1 1 51 51 THR HA H 51 5.465 5.465 4.019 1.446 17629 5039 1 15 . 1 1 51 51 THR C C 51 173.478 173.478 173.968 -0.490 17629 5040 1 15 . 1 1 51 51 THR CA C 51 59.703 59.703 61.450 -1.747 17629 5041 1 15 . 1 1 51 51 THR CB C 51 71.505 71.505 69.434 2.071 17629 5042 1 15 . 1 1 52 52 GLY N N 52 110.609 110.609 110.626 -0.017 17629 5043 1 15 . 1 1 52 52 GLY C C 52 170.386 170.386 176.817 -6.431 17629 5044 1 15 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.842 -1.465 17629 5045 1 15 . 1 1 52 52 GLY H H 52 9.039 9.039 8.222 0.817 17629 5046 1 15 . 1 1 53 53 LEU N N 53 120.239 120.239 119.455 0.784 17629 5047 1 15 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.309 0.890 17629 5048 1 15 . 1 1 53 53 LEU C C 53 177.929 177.929 176.659 1.270 17629 5049 1 15 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.771 -2.153 17629 5050 1 15 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.571 2.473 17629 5051 1 15 . 1 1 53 53 LEU H H 53 9.169 9.169 8.493 0.676 17629 5052 1 15 . 1 1 54 54 VAL N N 54 111.925 111.925 116.065 -4.140 17629 5053 1 15 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.574 0.266 17629 5054 1 15 . 1 1 54 54 VAL C C 54 172.319 172.319 174.620 -2.301 17629 5055 1 15 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.994 -3.804 17629 5056 1 15 . 1 1 54 54 VAL CB C 54 34.202 34.202 32.782 1.420 17629 5057 1 15 . 1 1 54 54 VAL H H 54 9.191 9.191 7.882 1.309 17629 5058 1 15 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.318 -1.205 17629 5059 1 15 . 1 1 55 55 PRO C C 55 178.107 178.107 175.787 2.320 17629 5060 1 15 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.419 0.617 17629 5061 1 15 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.821 -4.391 17629 5062 1 15 . 1 1 56 56 GLU N N 56 126.923 126.923 120.864 6.059 17629 5063 1 15 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.724 -0.968 17629 5064 1 15 . 1 1 56 56 GLU C C 56 177.586 177.586 176.298 1.288 17629 5065 1 15 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.574 4.478 17629 5066 1 15 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.444 -1.231 17629 5067 1 15 . 1 1 56 56 GLU H H 56 8.503 8.503 8.774 -0.271 17629 5068 1 15 . 1 1 57 57 GLU N N 57 113.138 113.138 127.642 -14.504 17629 5069 1 15 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.136 0.199 17629 5070 1 15 . 1 1 57 57 GLU C C 57 175.950 175.950 177.038 -1.088 17629 5071 1 15 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.447 -0.813 17629 5072 1 15 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.710 0.105 17629 5073 1 15 . 1 1 57 57 GLU H H 57 8.743 8.743 9.002 -0.259 17629 5074 1 15 . 1 1 58 58 PHE N N 58 116.994 116.994 123.794 -6.800 17629 5075 1 15 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.657 0.130 17629 5076 1 15 . 1 1 58 58 PHE C C 58 174.773 174.773 174.663 0.110 17629 5077 1 15 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.331 -1.660 17629 5078 1 15 . 1 1 58 58 PHE H H 58 8.002 8.002 7.929 0.073 17629 5079 1 15 . 1 1 59 59 VAL N N 59 110.037 110.037 122.174 -12.137 17629 5080 1 15 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.494 0.916 17629 5081 1 15 . 1 1 59 59 VAL C C 59 173.781 173.781 174.473 -0.692 17629 5082 1 15 . 1 1 59 59 VAL CA C 59 57.922 57.922 60.038 -2.116 17629 5083 1 15 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.051 1.121 17629 5084 1 15 . 1 1 59 59 VAL H H 59 7.328 7.328 8.240 -0.912 17629 5085 1 15 . 1 1 60 60 SER HA H 60 4.711 4.711 4.450 0.261 17629 5086 1 15 . 1 1 60 60 SER C C 60 174.901 174.901 174.075 0.826 17629 5087 1 15 . 1 1 60 60 SER CA C 60 55.416 55.416 59.673 -4.258 17629 5088 1 15 . 1 1 60 60 SER CB C 60 64.846 64.846 63.878 0.968 17629 5089 1 15 . 1 1 61 61 TYR N N 61 126.709 126.709 115.831 10.878 17629 5090 1 15 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.681 -0.107 17629 5091 1 15 . 1 1 61 61 TYR C C 61 176.232 176.232 173.889 2.343 17629 5092 1 15 . 1 1 61 61 TYR CA C 61 59.240 59.240 57.888 1.352 17629 5093 1 15 . 1 1 61 61 TYR CB C 61 37.986 37.986 39.184 -1.198 17629 5094 1 15 . 1 1 61 61 TYR H H 61 8.560 8.560 8.194 0.366 17629 5095 1 15 . 1 1 62 62 ILE N N 62 122.059 122.059 120.283 1.776 17629 5096 1 15 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.491 -0.248 17629 5097 1 15 . 1 1 62 62 ILE C C 62 175.812 175.812 175.502 0.310 17629 5098 1 15 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.214 0.416 17629 5099 1 15 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.064 0.096 17629 5100 1 15 . 1 1 62 62 ILE H H 62 8.303 8.303 7.631 0.672 17629 5101 1 16 . 1 1 2 2 LYS N N 2 125.410 125.410 124.507 0.903 17629 5102 1 16 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.520 -0.402 17629 5103 1 16 . 1 1 2 2 LYS C C 2 176.439 176.439 176.169 0.270 17629 5104 1 16 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.117 0.456 17629 5105 1 16 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.661 -0.461 17629 5106 1 16 . 1 1 2 2 LYS H H 2 8.079 8.079 7.841 0.238 17629 5107 1 16 . 1 1 3 3 PHE N N 3 123.092 123.092 124.718 -1.626 17629 5108 1 16 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.234 -0.813 17629 5109 1 16 . 1 1 3 3 PHE C C 3 175.856 175.856 174.846 1.010 17629 5110 1 16 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.495 1.170 17629 5111 1 16 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.765 -1.154 17629 5112 1 16 . 1 1 3 3 PHE H H 3 8.251 8.251 8.724 -0.473 17629 5113 1 16 . 1 1 4 4 ILE N N 4 125.149 125.149 118.175 6.974 17629 5114 1 16 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.695 -0.480 17629 5115 1 16 . 1 1 4 4 ILE C C 4 175.190 175.190 172.903 2.287 17629 5116 1 16 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.435 1.344 17629 5117 1 16 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.630 -2.099 17629 5118 1 16 . 1 1 4 4 ILE H H 4 7.775 7.775 8.895 -1.120 17629 5119 1 16 . 1 1 5 5 PRO N N 5 121.258 121.258 118.878 2.380 17629 5120 1 16 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.189 -1.430 17629 5121 1 16 . 1 1 5 5 PRO C C 5 174.455 174.455 173.307 1.148 17629 5122 1 16 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.786 3.554 17629 5123 1 16 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.359 -4.489 17629 5124 1 16 . 1 1 5 5 PRO H H 5 8.238 8.238 8.651 -0.413 17629 5125 1 16 . 1 1 6 6 SER N N 6 118.930 118.930 125.907 -6.977 17629 5126 1 16 . 1 1 6 6 SER HA H 6 4.439 4.439 4.745 -0.306 17629 5127 1 16 . 1 1 6 6 SER C C 6 174.756 174.756 175.779 -1.023 17629 5128 1 16 . 1 1 6 6 SER CA C 6 55.269 55.269 54.790 0.479 17629 5129 1 16 . 1 1 6 6 SER CB C 6 31.970 31.970 29.156 2.814 17629 5130 1 16 . 1 1 6 6 SER H H 6 9.042 9.042 8.933 0.109 17629 5131 1 16 . 1 1 7 7 ARG N N 7 124.908 124.908 123.756 1.152 17629 5132 1 16 . 1 1 7 7 ARG HA H 7 4.998 4.998 4.071 0.927 17629 5133 1 16 . 1 1 7 7 ARG C C 7 175.313 175.313 175.821 -0.508 17629 5134 1 16 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.413 -0.944 17629 5135 1 16 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.093 2.447 17629 5136 1 16 . 1 1 7 7 ARG H H 7 7.601 7.601 8.429 -0.828 17629 5137 1 16 . 1 1 8 8 ALA N N 8 126.210 126.210 118.189 8.021 17629 5138 1 16 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.227 0.763 17629 5139 1 16 . 1 1 8 8 ALA C C 8 173.314 173.314 175.684 -2.370 17629 5140 1 16 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.663 1.107 17629 5141 1 16 . 1 1 8 8 ALA CB C 8 23.215 23.215 20.887 2.328 17629 5142 1 16 . 1 1 8 8 ALA H H 8 9.198 9.198 7.039 2.159 17629 5143 1 16 . 1 1 9 9 ALA N N 9 117.480 117.480 121.252 -3.772 17629 5144 1 16 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.323 -0.719 17629 5145 1 16 . 1 1 9 9 ALA C C 9 174.805 174.805 175.060 -0.255 17629 5146 1 16 . 1 1 9 9 ALA CA C 9 57.825 57.825 63.041 -5.216 17629 5147 1 16 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.157 3.000 17629 5148 1 16 . 1 1 9 9 ALA H H 9 8.571 8.571 8.165 0.406 17629 5149 1 16 . 1 1 10 10 PRO N N 10 127.491 127.491 126.590 0.901 17629 5150 1 16 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.924 -0.455 17629 5151 1 16 . 1 1 10 10 PRO C C 10 178.703 178.703 175.372 3.331 17629 5152 1 16 . 1 1 10 10 PRO CA C 10 51.821 51.821 50.950 0.870 17629 5153 1 16 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.641 -3.444 17629 5154 1 16 . 1 1 10 10 PRO H H 10 9.208 9.208 8.672 0.536 17629 5155 1 16 . 1 1 11 11 LYS N N 11 127.224 127.224 125.679 1.545 17629 5156 1 16 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.475 0.072 17629 5157 1 16 . 1 1 11 11 LYS C C 11 175.084 175.084 173.872 1.212 17629 5158 1 16 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.688 5.657 17629 5159 1 16 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.768 -0.331 17629 5160 1 16 . 1 1 11 11 LYS H H 11 8.270 8.270 8.028 0.242 17629 5161 1 16 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.383 -0.628 17629 5162 1 16 . 1 1 12 12 PRO C C 12 173.503 173.503 174.302 -0.799 17629 5163 1 16 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.746 3.041 17629 5164 1 16 . 1 1 13 13 PRO N N 13 117.819 117.819 120.404 -2.585 17629 5165 1 16 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.413 -0.095 17629 5166 1 16 . 1 1 13 13 PRO C C 13 175.940 175.940 175.292 0.648 17629 5167 1 16 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.678 0.891 17629 5168 1 16 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.181 0.308 17629 5169 1 16 . 1 1 13 13 PRO H H 13 8.361 8.361 8.530 -0.169 17629 5170 1 16 . 1 1 14 14 SER N N 14 122.300 122.300 118.493 3.807 17629 5171 1 16 . 1 1 14 14 SER HA H 14 4.361 4.361 4.546 -0.185 17629 5172 1 16 . 1 1 14 14 SER C C 14 172.522 172.522 174.739 -2.217 17629 5173 1 16 . 1 1 14 14 SER CA C 14 56.389 56.389 57.370 -0.981 17629 5174 1 16 . 1 1 14 14 SER CB C 14 42.864 42.864 40.348 2.516 17629 5175 1 16 . 1 1 14 14 SER H H 14 8.138 8.138 7.803 0.335 17629 5176 1 16 . 1 1 15 15 GLU N N 15 128.991 128.991 117.237 11.754 17629 5177 1 16 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.371 0.316 17629 5178 1 16 . 1 1 15 15 GLU C C 15 172.941 172.941 175.562 -2.621 17629 5179 1 16 . 1 1 15 15 GLU CA C 15 51.415 51.415 56.647 -5.231 17629 5180 1 16 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.086 1.104 17629 5181 1 16 . 1 1 15 15 GLU H H 15 8.234 8.234 8.567 -0.333 17629 5182 1 16 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.306 -0.005 17629 5183 1 16 . 1 1 16 16 ALA C C 16 177.175 177.175 176.056 1.119 17629 5184 1 16 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.432 0.167 17629 5185 1 16 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.656 1.829 17629 5186 1 16 . 1 1 16 16 ALA H H 16 8.263 8.263 7.790 0.473 17629 5187 1 16 . 1 1 17 17 GLU N N 17 119.882 119.882 119.763 0.119 17629 5188 1 16 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.735 -0.356 17629 5189 1 16 . 1 1 17 17 GLU C C 17 175.065 175.065 175.284 -0.219 17629 5190 1 16 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.308 0.273 17629 5191 1 16 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.068 -0.291 17629 5192 1 16 . 1 1 17 17 GLU H H 17 8.952 8.952 7.528 1.424 17629 5193 1 16 . 1 1 18 18 ASN N N 18 114.565 114.565 119.992 -5.427 17629 5194 1 16 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.141 -0.271 17629 5195 1 16 . 1 1 18 18 ASN C C 18 175.256 175.256 174.358 0.898 17629 5196 1 16 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.568 0.382 17629 5197 1 16 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.554 1.892 17629 5198 1 16 . 1 1 18 18 ASN H H 18 7.177 7.177 9.100 -1.923 17629 5199 1 16 . 1 1 19 19 ASP N N 19 120.622 120.622 122.470 -1.848 17629 5200 1 16 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.834 -0.322 17629 5201 1 16 . 1 1 19 19 ASP C C 19 175.848 175.848 175.793 0.055 17629 5202 1 16 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.666 1.784 17629 5203 1 16 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.585 -0.926 17629 5204 1 16 . 1 1 19 19 ASP H H 19 8.753 8.753 8.434 0.319 17629 5205 1 16 . 1 1 20 20 ASN N N 20 115.197 115.197 119.128 -3.931 17629 5206 1 16 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.125 -0.359 17629 5207 1 16 . 1 1 20 20 ASN C C 20 174.017 174.017 173.633 0.384 17629 5208 1 16 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.145 -5.727 17629 5209 1 16 . 1 1 20 20 ASN H H 20 8.124 8.124 9.160 -1.036 17629 5210 1 16 . 1 1 21 21 GLU N N 21 119.591 119.591 122.726 -3.135 17629 5211 1 16 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.667 0.182 17629 5212 1 16 . 1 1 21 21 GLU C C 21 174.638 174.638 174.688 -0.050 17629 5213 1 16 . 1 1 21 21 GLU CA C 21 54.545 54.545 54.927 -0.382 17629 5214 1 16 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.578 0.130 17629 5215 1 16 . 1 1 21 21 GLU H H 21 7.453 7.453 8.355 -0.902 17629 5216 1 16 . 1 1 22 22 LEU N N 22 126.694 126.694 126.499 0.195 17629 5217 1 16 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.848 0.507 17629 5218 1 16 . 1 1 22 22 LEU C C 22 173.258 173.258 177.995 -4.737 17629 5219 1 16 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.565 -3.117 17629 5220 1 16 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.582 2.768 17629 5221 1 16 . 1 1 22 22 LEU H H 22 8.765 8.765 8.805 -0.040 17629 5222 1 16 . 1 1 23 23 ARG N N 23 123.640 123.640 127.513 -3.873 17629 5223 1 16 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.848 0.328 17629 5224 1 16 . 1 1 23 23 ARG C C 23 176.038 176.038 176.188 -0.150 17629 5225 1 16 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.810 1.309 17629 5226 1 16 . 1 1 23 23 ARG H H 23 8.023 8.023 8.955 -0.932 17629 5227 1 16 . 1 1 24 24 LEU N N 24 122.047 122.047 123.568 -1.521 17629 5228 1 16 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.351 0.575 17629 5229 1 16 . 1 1 24 24 LEU C C 24 176.320 176.320 175.403 0.917 17629 5230 1 16 . 1 1 24 24 LEU CA C 24 53.589 53.589 56.029 -2.440 17629 5231 1 16 . 1 1 24 24 LEU CB C 24 45.841 45.841 42.717 3.124 17629 5232 1 16 . 1 1 24 24 LEU H H 24 8.686 8.686 7.987 0.699 17629 5233 1 16 . 1 1 25 25 ALA N N 25 127.826 127.826 124.075 3.751 17629 5234 1 16 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.777 0.273 17629 5235 1 16 . 1 1 25 25 ALA C C 25 176.497 176.497 176.256 0.241 17629 5236 1 16 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.960 -1.224 17629 5237 1 16 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.673 1.094 17629 5238 1 16 . 1 1 25 25 ALA H H 25 8.747 8.747 8.092 0.655 17629 5239 1 16 . 1 1 26 26 GLU N N 26 121.396 121.396 120.041 1.355 17629 5240 1 16 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.858 -1.667 17629 5241 1 16 . 1 1 26 26 GLU C C 26 177.095 177.095 174.416 2.679 17629 5242 1 16 . 1 1 26 26 GLU CA C 26 58.455 58.455 52.902 5.553 17629 5243 1 16 . 1 1 26 26 GLU CB C 26 29.440 29.440 32.698 -3.258 17629 5244 1 16 . 1 1 26 26 GLU H H 26 8.756 8.756 8.760 -0.004 17629 5245 1 16 . 1 1 27 27 GLY N N 27 115.237 115.237 108.219 7.018 17629 5246 1 16 . 1 1 27 27 GLY C C 27 174.571 174.571 174.801 -0.230 17629 5247 1 16 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.813 1.963 17629 5248 1 16 . 1 1 27 27 GLY H H 27 8.878 8.878 8.566 0.312 17629 5249 1 16 . 1 1 28 28 ASP N N 28 122.805 122.805 126.450 -3.645 17629 5250 1 16 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.635 -0.153 17629 5251 1 16 . 1 1 28 28 ASP C C 28 174.781 174.781 176.776 -1.995 17629 5252 1 16 . 1 1 28 28 ASP CA C 28 55.493 55.493 53.061 2.432 17629 5253 1 16 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.975 3.759 17629 5254 1 16 . 1 1 28 28 ASP H H 28 8.655 8.655 8.875 -0.220 17629 5255 1 16 . 1 1 29 29 ILE N N 29 120.912 120.912 127.707 -6.795 17629 5256 1 16 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.217 0.692 17629 5257 1 16 . 1 1 29 29 ILE C C 29 176.392 176.392 175.453 0.939 17629 5258 1 16 . 1 1 29 29 ILE CA C 29 58.935 58.935 64.375 -5.440 17629 5259 1 16 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.351 -1.741 17629 5260 1 16 . 1 1 29 29 ILE H H 29 8.484 8.484 8.540 -0.056 17629 5261 1 16 . 1 1 30 30 VAL N N 30 118.766 118.766 114.521 4.245 17629 5262 1 16 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.389 0.455 17629 5263 1 16 . 1 1 30 30 VAL C C 30 173.455 173.455 173.409 0.046 17629 5264 1 16 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.955 -2.820 17629 5265 1 16 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.944 2.526 17629 5266 1 16 . 1 1 30 30 VAL H H 30 8.840 8.840 7.454 1.386 17629 5267 1 16 . 1 1 31 31 PHE N N 31 118.993 118.993 124.567 -5.574 17629 5268 1 16 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.581 0.385 17629 5269 1 16 . 1 1 31 31 PHE C C 31 175.600 175.600 174.607 0.993 17629 5270 1 16 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.100 -1.403 17629 5271 1 16 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.838 1.332 17629 5272 1 16 . 1 1 31 31 PHE H H 31 8.961 8.961 8.658 0.303 17629 5273 1 16 . 1 1 32 32 ILE N N 32 124.714 124.714 126.171 -1.457 17629 5274 1 16 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.487 -0.117 17629 5275 1 16 . 1 1 32 32 ILE C C 32 175.776 175.776 175.677 0.099 17629 5276 1 16 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.444 -1.895 17629 5277 1 16 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.711 -5.676 17629 5278 1 16 . 1 1 32 32 ILE H H 32 9.043 9.043 8.262 0.781 17629 5279 1 16 . 1 1 33 33 SER N N 33 124.251 124.251 115.103 9.148 17629 5280 1 16 . 1 1 33 33 SER HA H 33 4.630 4.630 4.145 0.485 17629 5281 1 16 . 1 1 33 33 SER C C 33 175.353 175.353 174.485 0.868 17629 5282 1 16 . 1 1 33 33 SER CA C 33 59.396 59.396 58.477 0.919 17629 5283 1 16 . 1 1 33 33 SER H H 33 9.128 9.128 8.035 1.093 17629 5284 1 16 . 1 1 34 34 TYR N N 34 114.956 114.956 115.429 -0.473 17629 5285 1 16 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.237 0.611 17629 5286 1 16 . 1 1 34 34 TYR C C 34 172.582 172.582 175.975 -3.393 17629 5287 1 16 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.362 -2.240 17629 5288 1 16 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.894 3.366 17629 5289 1 16 . 1 1 34 34 TYR H H 34 7.457 7.457 8.805 -1.348 17629 5290 1 16 . 1 1 35 35 LYS N N 35 122.237 122.237 113.864 8.373 17629 5291 1 16 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.738 0.861 17629 5292 1 16 . 1 1 35 35 LYS C C 35 175.174 175.174 175.029 0.145 17629 5293 1 16 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.297 -0.550 17629 5294 1 16 . 1 1 35 35 LYS H H 35 8.697 8.697 8.488 0.209 17629 5295 1 16 . 1 1 36 36 HIS N N 36 127.413 127.413 117.337 10.076 17629 5296 1 16 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.830 -0.178 17629 5297 1 16 . 1 1 36 36 HIS C C 36 175.918 175.918 173.761 2.157 17629 5298 1 16 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.686 3.648 17629 5299 1 16 . 1 1 36 36 HIS CB C 36 32.782 32.782 32.057 0.725 17629 5300 1 16 . 1 1 36 36 HIS H H 36 8.122 8.122 7.736 0.386 17629 5301 1 16 . 1 1 37 37 GLY N N 37 105.500 105.500 108.811 -3.311 17629 5302 1 16 . 1 1 37 37 GLY C C 37 174.073 174.073 174.105 -0.032 17629 5303 1 16 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.028 -0.244 17629 5304 1 16 . 1 1 37 37 GLY H H 37 8.000 8.000 9.326 -1.326 17629 5305 1 16 . 1 1 38 38 GLN N N 38 114.228 114.228 123.852 -9.624 17629 5306 1 16 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.634 -0.543 17629 5307 1 16 . 1 1 38 38 GLN C C 38 175.546 175.546 174.822 0.724 17629 5308 1 16 . 1 1 38 38 GLN CA C 38 56.938 56.938 56.292 0.646 17629 5309 1 16 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.563 -0.003 17629 5310 1 16 . 1 1 38 38 GLN H H 38 9.025 9.025 7.785 1.240 17629 5311 1 16 . 1 1 39 39 GLY N N 39 104.000 104.000 115.815 -11.815 17629 5312 1 16 . 1 1 39 39 GLY C C 39 174.892 174.892 172.606 2.286 17629 5313 1 16 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.897 2.713 17629 5314 1 16 . 1 1 39 39 GLY H H 39 8.664 8.664 8.886 -0.222 17629 5315 1 16 . 1 1 40 40 TRP N N 40 120.355 120.355 119.550 0.805 17629 5316 1 16 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.462 -0.211 17629 5317 1 16 . 1 1 40 40 TRP C C 40 175.702 175.702 176.353 -0.651 17629 5318 1 16 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.559 2.040 17629 5319 1 16 . 1 1 40 40 TRP CB C 40 33.358 33.358 32.926 0.432 17629 5320 1 16 . 1 1 40 40 TRP H H 40 7.938 7.938 8.291 -0.353 17629 5321 1 16 . 1 1 41 41 LEU N N 41 121.736 121.736 123.026 -1.290 17629 5322 1 16 . 1 1 41 41 LEU HA H 41 4.967 4.967 3.941 1.026 17629 5323 1 16 . 1 1 41 41 LEU C C 41 174.893 174.893 177.366 -2.473 17629 5324 1 16 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.706 -1.767 17629 5325 1 16 . 1 1 41 41 LEU CB C 41 44.656 44.656 42.308 2.348 17629 5326 1 16 . 1 1 41 41 LEU H H 41 9.626 9.626 8.679 0.947 17629 5327 1 16 . 1 1 42 42 VAL N N 42 120.248 120.248 117.838 2.410 17629 5328 1 16 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.629 0.479 17629 5329 1 16 . 1 1 42 42 VAL C C 42 173.905 173.905 177.389 -3.484 17629 5330 1 16 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.172 -0.873 17629 5331 1 16 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.858 -0.096 17629 5332 1 16 . 1 1 42 42 VAL H H 42 8.593 8.593 8.525 0.068 17629 5333 1 16 . 1 1 43 43 ALA N N 43 130.238 130.238 120.503 9.735 17629 5334 1 16 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.196 1.293 17629 5335 1 16 . 1 1 43 43 ALA C C 43 174.736 174.736 177.987 -3.251 17629 5336 1 16 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.089 -3.391 17629 5337 1 16 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.264 5.862 17629 5338 1 16 . 1 1 43 43 ALA H H 43 9.080 9.080 7.903 1.177 17629 5339 1 16 . 1 1 44 44 GLU N N 44 118.066 118.066 120.674 -2.608 17629 5340 1 16 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.175 1.195 17629 5341 1 16 . 1 1 44 44 GLU C C 44 176.343 176.343 176.317 0.026 17629 5342 1 16 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.023 -3.109 17629 5343 1 16 . 1 1 44 44 GLU H H 44 9.055 9.055 8.257 0.798 17629 5344 1 16 . 1 1 45 45 ASN N N 45 118.721 118.721 117.264 1.457 17629 5345 1 16 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.801 0.019 17629 5346 1 16 . 1 1 45 45 ASN C C 45 175.581 175.581 174.618 0.963 17629 5347 1 16 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.831 -1.830 17629 5348 1 16 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.755 -1.988 17629 5349 1 16 . 1 1 45 45 ASN H H 45 8.342 8.342 8.223 0.119 17629 5350 1 16 . 1 1 46 46 GLU N N 46 120.491 120.491 122.156 -1.665 17629 5351 1 16 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.600 -0.650 17629 5352 1 16 . 1 1 46 46 GLU C C 46 177.658 177.658 174.561 3.097 17629 5353 1 16 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.699 4.439 17629 5354 1 16 . 1 1 46 46 GLU CB C 46 29.508 29.508 32.200 -2.692 17629 5355 1 16 . 1 1 46 46 GLU H H 46 8.521 8.521 8.055 0.466 17629 5356 1 16 . 1 1 47 47 SER N N 47 109.172 109.172 120.556 -11.384 17629 5357 1 16 . 1 1 47 47 SER HA H 47 4.376 4.376 5.041 -0.665 17629 5358 1 16 . 1 1 47 47 SER C C 47 175.760 175.760 173.693 2.067 17629 5359 1 16 . 1 1 47 47 SER CA C 47 58.349 58.349 57.263 1.086 17629 5360 1 16 . 1 1 47 47 SER CB C 47 63.906 63.906 66.622 -2.716 17629 5361 1 16 . 1 1 47 47 SER H H 47 8.029 8.029 8.574 -0.545 17629 5362 1 16 . 1 1 48 48 GLY N N 48 112.365 112.365 111.044 1.321 17629 5363 1 16 . 1 1 48 48 GLY C C 48 174.289 174.289 171.767 2.522 17629 5364 1 16 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.300 0.646 17629 5365 1 16 . 1 1 48 48 GLY H H 48 8.002 8.002 9.040 -1.038 17629 5366 1 16 . 1 1 49 49 SER N N 49 116.280 116.280 115.277 1.003 17629 5367 1 16 . 1 1 49 49 SER HA H 49 4.387 4.387 4.921 -0.534 17629 5368 1 16 . 1 1 49 49 SER C C 49 174.474 174.474 174.036 0.438 17629 5369 1 16 . 1 1 49 49 SER CA C 49 58.778 58.778 57.815 0.963 17629 5370 1 16 . 1 1 49 49 SER CB C 49 64.138 64.138 64.957 -0.819 17629 5371 1 16 . 1 1 49 49 SER H H 49 8.529 8.529 8.154 0.375 17629 5372 1 16 . 1 1 50 50 LYS N N 50 122.336 122.336 118.301 4.035 17629 5373 1 16 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.304 -0.627 17629 5374 1 16 . 1 1 50 50 LYS C C 50 173.788 173.788 174.151 -0.363 17629 5375 1 16 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.446 3.475 17629 5376 1 16 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.553 1.109 17629 5377 1 16 . 1 1 50 50 LYS H H 50 7.879 7.879 9.238 -1.359 17629 5378 1 16 . 1 1 51 51 THR HA H 51 5.465 5.465 3.996 1.469 17629 5379 1 16 . 1 1 51 51 THR C C 51 173.478 173.478 173.898 -0.420 17629 5380 1 16 . 1 1 51 51 THR CA C 51 59.703 59.703 61.605 -1.902 17629 5381 1 16 . 1 1 51 51 THR CB C 51 71.505 71.505 69.554 1.951 17629 5382 1 16 . 1 1 52 52 GLY N N 52 110.609 110.609 110.531 0.078 17629 5383 1 16 . 1 1 52 52 GLY C C 52 170.386 170.386 176.639 -6.253 17629 5384 1 16 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.601 -1.224 17629 5385 1 16 . 1 1 52 52 GLY H H 52 9.039 9.039 8.205 0.834 17629 5386 1 16 . 1 1 53 53 LEU N N 53 120.239 120.239 118.937 1.302 17629 5387 1 16 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.306 0.893 17629 5388 1 16 . 1 1 53 53 LEU C C 53 177.929 177.929 177.282 0.647 17629 5389 1 16 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.128 -1.510 17629 5390 1 16 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.741 2.303 17629 5391 1 16 . 1 1 53 53 LEU H H 53 9.169 9.169 8.426 0.743 17629 5392 1 16 . 1 1 54 54 VAL N N 54 111.925 111.925 115.823 -3.898 17629 5393 1 16 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.421 0.419 17629 5394 1 16 . 1 1 54 54 VAL C C 54 172.319 172.319 174.282 -1.963 17629 5395 1 16 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.923 -3.733 17629 5396 1 16 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.456 0.746 17629 5397 1 16 . 1 1 54 54 VAL H H 54 9.191 9.191 7.769 1.422 17629 5398 1 16 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.447 -1.334 17629 5399 1 16 . 1 1 55 55 PRO C C 55 178.107 178.107 176.166 1.941 17629 5400 1 16 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.039 0.997 17629 5401 1 16 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.181 -3.751 17629 5402 1 16 . 1 1 56 56 GLU N N 56 126.923 126.923 120.695 6.228 17629 5403 1 16 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.587 -0.831 17629 5404 1 16 . 1 1 56 56 GLU C C 56 177.586 177.586 176.083 1.503 17629 5405 1 16 . 1 1 56 56 GLU CA C 56 59.052 59.052 55.026 4.026 17629 5406 1 16 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.538 -1.325 17629 5407 1 16 . 1 1 56 56 GLU H H 56 8.503 8.503 8.701 -0.198 17629 5408 1 16 . 1 1 57 57 GLU N N 57 113.138 113.138 127.992 -14.854 17629 5409 1 16 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.280 0.055 17629 5410 1 16 . 1 1 57 57 GLU C C 57 175.950 175.950 177.106 -1.156 17629 5411 1 16 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.309 -0.675 17629 5412 1 16 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.152 0.663 17629 5413 1 16 . 1 1 57 57 GLU H H 57 8.743 8.743 8.922 -0.179 17629 5414 1 16 . 1 1 58 58 PHE N N 58 116.994 116.994 123.598 -6.604 17629 5415 1 16 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.651 0.136 17629 5416 1 16 . 1 1 58 58 PHE C C 58 174.773 174.773 175.332 -0.559 17629 5417 1 16 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.191 -1.520 17629 5418 1 16 . 1 1 58 58 PHE H H 58 8.002 8.002 8.052 -0.050 17629 5419 1 16 . 1 1 59 59 VAL N N 59 110.037 110.037 123.351 -13.314 17629 5420 1 16 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.389 1.021 17629 5421 1 16 . 1 1 59 59 VAL C C 59 173.781 173.781 174.493 -0.712 17629 5422 1 16 . 1 1 59 59 VAL CA C 59 57.922 57.922 60.093 -2.171 17629 5423 1 16 . 1 1 59 59 VAL CB C 59 35.172 35.172 31.563 3.609 17629 5424 1 16 . 1 1 59 59 VAL H H 59 7.328 7.328 8.286 -0.958 17629 5425 1 16 . 1 1 60 60 SER HA H 60 4.711 4.711 4.410 0.301 17629 5426 1 16 . 1 1 60 60 SER C C 60 174.901 174.901 174.284 0.617 17629 5427 1 16 . 1 1 60 60 SER CA C 60 55.416 55.416 59.581 -4.165 17629 5428 1 16 . 1 1 60 60 SER CB C 60 64.846 64.846 63.777 1.069 17629 5429 1 16 . 1 1 61 61 TYR N N 61 126.709 126.709 116.431 10.278 17629 5430 1 16 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.620 -0.046 17629 5431 1 16 . 1 1 61 61 TYR C C 61 176.232 176.232 174.161 2.071 17629 5432 1 16 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.028 1.212 17629 5433 1 16 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.714 -0.728 17629 5434 1 16 . 1 1 61 61 TYR H H 61 8.560 8.560 8.101 0.459 17629 5435 1 16 . 1 1 62 62 ILE N N 62 122.059 122.059 120.234 1.825 17629 5436 1 16 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.444 -0.201 17629 5437 1 16 . 1 1 62 62 ILE C C 62 175.812 175.812 175.647 0.165 17629 5438 1 16 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.917 -0.287 17629 5439 1 16 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.174 -0.014 17629 5440 1 16 . 1 1 62 62 ILE H H 62 8.303 8.303 7.666 0.637 17629 5441 1 17 . 1 1 2 2 LYS N N 2 125.410 125.410 123.589 1.821 17629 5442 1 17 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.597 -0.479 17629 5443 1 17 . 1 1 2 2 LYS C C 2 176.439 176.439 175.989 0.450 17629 5444 1 17 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.098 0.475 17629 5445 1 17 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.971 -0.771 17629 5446 1 17 . 1 1 2 2 LYS H H 2 8.079 8.079 7.718 0.361 17629 5447 1 17 . 1 1 3 3 PHE N N 3 123.092 123.092 124.469 -1.377 17629 5448 1 17 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.214 -0.793 17629 5449 1 17 . 1 1 3 3 PHE C C 3 175.856 175.856 174.830 1.026 17629 5450 1 17 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.619 1.046 17629 5451 1 17 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.716 -1.105 17629 5452 1 17 . 1 1 3 3 PHE H H 3 8.251 8.251 8.728 -0.477 17629 5453 1 17 . 1 1 4 4 ILE N N 4 125.149 125.149 118.658 6.491 17629 5454 1 17 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.626 -0.411 17629 5455 1 17 . 1 1 4 4 ILE C C 4 175.190 175.190 172.825 2.365 17629 5456 1 17 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.472 1.307 17629 5457 1 17 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.718 -2.186 17629 5458 1 17 . 1 1 4 4 ILE H H 4 7.775 7.775 8.848 -1.073 17629 5459 1 17 . 1 1 5 5 PRO N N 5 121.258 121.258 119.412 1.846 17629 5460 1 17 . 1 1 5 5 PRO HA H 5 3.759 3.759 4.966 -1.207 17629 5461 1 17 . 1 1 5 5 PRO C C 5 174.455 174.455 173.433 1.022 17629 5462 1 17 . 1 1 5 5 PRO CA C 5 53.340 53.340 50.325 3.015 17629 5463 1 17 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.970 -5.100 17629 5464 1 17 . 1 1 5 5 PRO H H 5 8.238 8.238 8.554 -0.316 17629 5465 1 17 . 1 1 6 6 SER N N 6 118.930 118.930 126.572 -7.642 17629 5466 1 17 . 1 1 6 6 SER HA H 6 4.439 4.439 4.743 -0.304 17629 5467 1 17 . 1 1 6 6 SER C C 6 174.756 174.756 175.894 -1.138 17629 5468 1 17 . 1 1 6 6 SER CA C 6 55.269 55.269 54.876 0.393 17629 5469 1 17 . 1 1 6 6 SER CB C 6 31.970 31.970 28.538 3.432 17629 5470 1 17 . 1 1 6 6 SER H H 6 9.042 9.042 8.833 0.209 17629 5471 1 17 . 1 1 7 7 ARG N N 7 124.908 124.908 124.119 0.789 17629 5472 1 17 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.946 1.052 17629 5473 1 17 . 1 1 7 7 ARG C C 7 175.313 175.313 175.813 -0.500 17629 5474 1 17 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.864 -1.395 17629 5475 1 17 . 1 1 7 7 ARG CB C 7 32.540 32.540 29.957 2.583 17629 5476 1 17 . 1 1 7 7 ARG H H 7 7.601 7.601 8.392 -0.791 17629 5477 1 17 . 1 1 8 8 ALA N N 8 126.210 126.210 117.773 8.437 17629 5478 1 17 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.216 0.774 17629 5479 1 17 . 1 1 8 8 ALA C C 8 173.314 173.314 175.682 -2.368 17629 5480 1 17 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.595 1.175 17629 5481 1 17 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.167 2.048 17629 5482 1 17 . 1 1 8 8 ALA H H 8 9.198 9.198 7.099 2.099 17629 5483 1 17 . 1 1 9 9 ALA N N 9 117.480 117.480 120.649 -3.169 17629 5484 1 17 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.432 -0.828 17629 5485 1 17 . 1 1 9 9 ALA C C 9 174.805 174.805 174.753 0.052 17629 5486 1 17 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.681 -4.856 17629 5487 1 17 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.238 2.919 17629 5488 1 17 . 1 1 9 9 ALA H H 9 8.571 8.571 8.189 0.382 17629 5489 1 17 . 1 1 10 10 PRO N N 10 127.491 127.491 125.906 1.585 17629 5490 1 17 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.916 -0.447 17629 5491 1 17 . 1 1 10 10 PRO C C 10 178.703 178.703 175.104 3.599 17629 5492 1 17 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.540 0.281 17629 5493 1 17 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.422 -3.225 17629 5494 1 17 . 1 1 10 10 PRO H H 10 9.208 9.208 8.784 0.424 17629 5495 1 17 . 1 1 11 11 LYS N N 11 127.224 127.224 125.763 1.461 17629 5496 1 17 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.466 0.081 17629 5497 1 17 . 1 1 11 11 LYS C C 11 175.084 175.084 173.702 1.382 17629 5498 1 17 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.683 5.662 17629 5499 1 17 . 1 1 11 11 LYS CB C 11 43.437 43.437 44.195 -0.758 17629 5500 1 17 . 1 1 11 11 LYS H H 11 8.270 8.270 7.840 0.430 17629 5501 1 17 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.384 -0.629 17629 5502 1 17 . 1 1 12 12 PRO C C 12 173.503 173.503 174.532 -1.029 17629 5503 1 17 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.366 3.421 17629 5504 1 17 . 1 1 13 13 PRO N N 13 117.819 117.819 121.870 -4.051 17629 5505 1 17 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.405 -0.087 17629 5506 1 17 . 1 1 13 13 PRO C C 13 175.940 175.940 176.199 -0.259 17629 5507 1 17 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.925 0.644 17629 5508 1 17 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.918 -0.429 17629 5509 1 17 . 1 1 13 13 PRO H H 13 8.361 8.361 9.359 -0.998 17629 5510 1 17 . 1 1 14 14 SER N N 14 122.300 122.300 119.519 2.781 17629 5511 1 17 . 1 1 14 14 SER HA H 14 4.361 4.361 4.658 -0.297 17629 5512 1 17 . 1 1 14 14 SER C C 14 172.522 172.522 175.042 -2.520 17629 5513 1 17 . 1 1 14 14 SER CA C 14 56.389 56.389 57.218 -0.829 17629 5514 1 17 . 1 1 14 14 SER CB C 14 42.864 42.864 40.983 1.881 17629 5515 1 17 . 1 1 14 14 SER H H 14 8.138 8.138 7.615 0.523 17629 5516 1 17 . 1 1 15 15 GLU N N 15 128.991 128.991 119.310 9.681 17629 5517 1 17 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.418 0.269 17629 5518 1 17 . 1 1 15 15 GLU C C 15 172.941 172.941 175.428 -2.487 17629 5519 1 17 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.265 -5.850 17629 5520 1 17 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.257 0.933 17629 5521 1 17 . 1 1 15 15 GLU H H 15 8.234 8.234 8.578 -0.344 17629 5522 1 17 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.334 -0.033 17629 5523 1 17 . 1 1 16 16 ALA C C 16 177.175 177.175 176.051 1.124 17629 5524 1 17 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.565 0.034 17629 5525 1 17 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.449 2.037 17629 5526 1 17 . 1 1 16 16 ALA H H 16 8.263 8.263 7.868 0.395 17629 5527 1 17 . 1 1 17 17 GLU N N 17 119.882 119.882 119.639 0.243 17629 5528 1 17 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.736 -0.357 17629 5529 1 17 . 1 1 17 17 GLU C C 17 175.065 175.065 175.227 -0.162 17629 5530 1 17 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.494 0.087 17629 5531 1 17 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.143 -0.366 17629 5532 1 17 . 1 1 17 17 GLU H H 17 8.952 8.952 7.544 1.408 17629 5533 1 17 . 1 1 18 18 ASN N N 18 114.565 114.565 119.429 -4.864 17629 5534 1 17 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.128 -0.258 17629 5535 1 17 . 1 1 18 18 ASN C C 18 175.256 175.256 174.358 0.898 17629 5536 1 17 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.470 0.480 17629 5537 1 17 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.847 1.599 17629 5538 1 17 . 1 1 18 18 ASN H H 18 7.177 7.177 9.026 -1.849 17629 5539 1 17 . 1 1 19 19 ASP N N 19 120.622 120.622 121.549 -0.927 17629 5540 1 17 . 1 1 19 19 ASP HA H 19 4.512 4.512 5.023 -0.511 17629 5541 1 17 . 1 1 19 19 ASP C C 19 175.848 175.848 175.791 0.057 17629 5542 1 17 . 1 1 19 19 ASP CA C 19 56.450 56.450 53.819 2.631 17629 5543 1 17 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.828 -1.169 17629 5544 1 17 . 1 1 19 19 ASP H H 19 8.753 8.753 8.438 0.315 17629 5545 1 17 . 1 1 20 20 ASN N N 20 115.197 115.197 118.154 -2.957 17629 5546 1 17 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.148 -0.383 17629 5547 1 17 . 1 1 20 20 ASN C C 20 174.017 174.017 173.438 0.579 17629 5548 1 17 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.335 -5.917 17629 5549 1 17 . 1 1 20 20 ASN H H 20 8.124 8.124 8.996 -0.872 17629 5550 1 17 . 1 1 21 21 GLU N N 21 119.591 119.591 123.904 -4.313 17629 5551 1 17 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.777 0.072 17629 5552 1 17 . 1 1 21 21 GLU C C 21 174.638 174.638 174.634 0.004 17629 5553 1 17 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.388 -0.843 17629 5554 1 17 . 1 1 21 21 GLU CB C 21 31.708 31.708 32.020 -0.312 17629 5555 1 17 . 1 1 21 21 GLU H H 21 7.453 7.453 8.771 -1.318 17629 5556 1 17 . 1 1 22 22 LEU N N 22 126.694 126.694 126.662 0.032 17629 5557 1 17 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.898 0.457 17629 5558 1 17 . 1 1 22 22 LEU C C 22 173.258 173.258 178.050 -4.792 17629 5559 1 17 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.490 -3.042 17629 5560 1 17 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.586 2.764 17629 5561 1 17 . 1 1 22 22 LEU H H 22 8.765 8.765 8.839 -0.074 17629 5562 1 17 . 1 1 23 23 ARG N N 23 123.640 123.640 127.952 -4.312 17629 5563 1 17 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.841 0.335 17629 5564 1 17 . 1 1 23 23 ARG C C 23 176.038 176.038 175.713 0.325 17629 5565 1 17 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.743 1.376 17629 5566 1 17 . 1 1 23 23 ARG H H 23 8.023 8.023 8.954 -0.931 17629 5567 1 17 . 1 1 24 24 LEU N N 24 122.047 122.047 122.714 -0.667 17629 5568 1 17 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.443 0.483 17629 5569 1 17 . 1 1 24 24 LEU C C 24 176.320 176.320 176.141 0.179 17629 5570 1 17 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.116 -1.527 17629 5571 1 17 . 1 1 24 24 LEU CB C 24 45.841 45.841 42.955 2.886 17629 5572 1 17 . 1 1 24 24 LEU H H 24 8.686 8.686 8.132 0.554 17629 5573 1 17 . 1 1 25 25 ALA N N 25 127.826 127.826 123.182 4.644 17629 5574 1 17 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.679 0.371 17629 5575 1 17 . 1 1 25 25 ALA C C 25 176.497 176.497 176.800 -0.303 17629 5576 1 17 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.635 -0.899 17629 5577 1 17 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.724 1.043 17629 5578 1 17 . 1 1 25 25 ALA H H 25 8.747 8.747 8.238 0.509 17629 5579 1 17 . 1 1 26 26 GLU N N 26 121.396 121.396 117.144 4.252 17629 5580 1 17 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.938 -1.747 17629 5581 1 17 . 1 1 26 26 GLU C C 26 177.095 177.095 174.275 2.820 17629 5582 1 17 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.432 5.023 17629 5583 1 17 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.582 -4.142 17629 5584 1 17 . 1 1 26 26 GLU H H 26 8.756 8.756 8.781 -0.025 17629 5585 1 17 . 1 1 27 27 GLY N N 27 115.237 115.237 108.847 6.390 17629 5586 1 17 . 1 1 27 27 GLY C C 27 174.571 174.571 174.826 -0.255 17629 5587 1 17 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.739 2.037 17629 5588 1 17 . 1 1 27 27 GLY H H 27 8.878 8.878 8.485 0.393 17629 5589 1 17 . 1 1 28 28 ASP N N 28 122.805 122.805 125.684 -2.879 17629 5590 1 17 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.674 -0.192 17629 5591 1 17 . 1 1 28 28 ASP C C 28 174.781 174.781 176.828 -2.047 17629 5592 1 17 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.688 2.805 17629 5593 1 17 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.769 3.966 17629 5594 1 17 . 1 1 28 28 ASP H H 28 8.655 8.655 8.882 -0.227 17629 5595 1 17 . 1 1 29 29 ILE N N 29 120.912 120.912 129.433 -8.521 17629 5596 1 17 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.070 0.839 17629 5597 1 17 . 1 1 29 29 ILE C C 29 176.392 176.392 174.840 1.552 17629 5598 1 17 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.424 -6.489 17629 5599 1 17 . 1 1 29 29 ILE CB C 29 37.610 37.610 38.980 -1.370 17629 5600 1 17 . 1 1 29 29 ILE H H 29 8.484 8.484 8.718 -0.234 17629 5601 1 17 . 1 1 30 30 VAL N N 30 118.766 118.766 113.815 4.951 17629 5602 1 17 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.384 0.460 17629 5603 1 17 . 1 1 30 30 VAL C C 30 173.455 173.455 173.412 0.043 17629 5604 1 17 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.810 -2.675 17629 5605 1 17 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.941 2.529 17629 5606 1 17 . 1 1 30 30 VAL H H 30 8.840 8.840 7.349 1.491 17629 5607 1 17 . 1 1 31 31 PHE N N 31 118.993 118.993 123.367 -4.374 17629 5608 1 17 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.637 0.329 17629 5609 1 17 . 1 1 31 31 PHE C C 31 175.600 175.600 174.587 1.013 17629 5610 1 17 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.072 -1.375 17629 5611 1 17 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.892 1.278 17629 5612 1 17 . 1 1 31 31 PHE H H 31 8.961 8.961 8.836 0.124 17629 5613 1 17 . 1 1 32 32 ILE N N 32 124.714 124.714 126.348 -1.634 17629 5614 1 17 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.490 -0.120 17629 5615 1 17 . 1 1 32 32 ILE C C 32 175.776 175.776 175.709 0.067 17629 5616 1 17 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.489 -1.940 17629 5617 1 17 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.644 -5.609 17629 5618 1 17 . 1 1 32 32 ILE H H 32 9.043 9.043 8.270 0.773 17629 5619 1 17 . 1 1 33 33 SER N N 33 124.251 124.251 115.496 8.755 17629 5620 1 17 . 1 1 33 33 SER HA H 33 4.630 4.630 4.141 0.489 17629 5621 1 17 . 1 1 33 33 SER C C 33 175.353 175.353 174.513 0.840 17629 5622 1 17 . 1 1 33 33 SER CA C 33 59.396 59.396 58.575 0.821 17629 5623 1 17 . 1 1 33 33 SER H H 33 9.128 9.128 8.092 1.036 17629 5624 1 17 . 1 1 34 34 TYR N N 34 114.956 114.956 116.811 -1.855 17629 5625 1 17 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.280 0.568 17629 5626 1 17 . 1 1 34 34 TYR C C 34 172.582 172.582 175.897 -3.315 17629 5627 1 17 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.146 -2.024 17629 5628 1 17 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.618 3.642 17629 5629 1 17 . 1 1 34 34 TYR H H 34 7.457 7.457 8.733 -1.276 17629 5630 1 17 . 1 1 35 35 LYS N N 35 122.237 122.237 115.351 6.886 17629 5631 1 17 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.648 0.951 17629 5632 1 17 . 1 1 35 35 LYS C C 35 175.174 175.174 174.642 0.532 17629 5633 1 17 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.237 -0.490 17629 5634 1 17 . 1 1 35 35 LYS H H 35 8.697 8.697 8.541 0.156 17629 5635 1 17 . 1 1 36 36 HIS N N 36 127.413 127.413 117.301 10.112 17629 5636 1 17 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.827 -0.175 17629 5637 1 17 . 1 1 36 36 HIS C C 36 175.918 175.918 173.797 2.121 17629 5638 1 17 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.623 3.711 17629 5639 1 17 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.978 0.804 17629 5640 1 17 . 1 1 36 36 HIS H H 36 8.122 8.122 7.705 0.417 17629 5641 1 17 . 1 1 37 37 GLY N N 37 105.500 105.500 109.077 -3.577 17629 5642 1 17 . 1 1 37 37 GLY C C 37 174.073 174.073 174.125 -0.052 17629 5643 1 17 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.015 -0.231 17629 5644 1 17 . 1 1 37 37 GLY H H 37 8.000 8.000 9.226 -1.226 17629 5645 1 17 . 1 1 38 38 GLN N N 38 114.228 114.228 123.878 -9.650 17629 5646 1 17 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.712 -0.621 17629 5647 1 17 . 1 1 38 38 GLN C C 38 175.546 175.546 174.691 0.855 17629 5648 1 17 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.922 1.016 17629 5649 1 17 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.302 0.258 17629 5650 1 17 . 1 1 38 38 GLN H H 38 9.025 9.025 7.880 1.145 17629 5651 1 17 . 1 1 39 39 GLY N N 39 104.000 104.000 116.007 -12.007 17629 5652 1 17 . 1 1 39 39 GLY C C 39 174.892 174.892 172.720 2.172 17629 5653 1 17 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.687 2.923 17629 5654 1 17 . 1 1 39 39 GLY H H 39 8.664 8.664 8.870 -0.206 17629 5655 1 17 . 1 1 40 40 TRP N N 40 120.355 120.355 120.772 -0.417 17629 5656 1 17 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.503 -0.252 17629 5657 1 17 . 1 1 40 40 TRP C C 40 175.702 175.702 176.133 -0.431 17629 5658 1 17 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.659 1.940 17629 5659 1 17 . 1 1 40 40 TRP CB C 40 33.358 33.358 32.974 0.384 17629 5660 1 17 . 1 1 40 40 TRP H H 40 7.938 7.938 8.230 -0.292 17629 5661 1 17 . 1 1 41 41 LEU N N 41 121.736 121.736 121.930 -0.194 17629 5662 1 17 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.123 0.844 17629 5663 1 17 . 1 1 41 41 LEU C C 41 174.893 174.893 177.631 -2.738 17629 5664 1 17 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.569 -1.630 17629 5665 1 17 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.362 1.294 17629 5666 1 17 . 1 1 41 41 LEU H H 41 9.626 9.626 8.604 1.022 17629 5667 1 17 . 1 1 42 42 VAL N N 42 120.248 120.248 118.426 1.822 17629 5668 1 17 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.784 0.324 17629 5669 1 17 . 1 1 42 42 VAL C C 42 173.905 173.905 177.451 -3.546 17629 5670 1 17 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.584 -1.285 17629 5671 1 17 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.761 0.001 17629 5672 1 17 . 1 1 42 42 VAL H H 42 8.593 8.593 8.526 0.067 17629 5673 1 17 . 1 1 43 43 ALA N N 43 130.238 130.238 120.448 9.790 17629 5674 1 17 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.127 1.362 17629 5675 1 17 . 1 1 43 43 ALA C C 43 174.736 174.736 178.494 -3.758 17629 5676 1 17 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.605 -3.907 17629 5677 1 17 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.266 5.860 17629 5678 1 17 . 1 1 43 43 ALA H H 43 9.080 9.080 7.974 1.106 17629 5679 1 17 . 1 1 44 44 GLU N N 44 118.066 118.066 119.826 -1.760 17629 5680 1 17 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.128 1.242 17629 5681 1 17 . 1 1 44 44 GLU C C 44 176.343 176.343 175.926 0.417 17629 5682 1 17 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.096 -3.182 17629 5683 1 17 . 1 1 44 44 GLU H H 44 9.055 9.055 7.870 1.185 17629 5684 1 17 . 1 1 45 45 ASN N N 45 118.721 118.721 116.937 1.784 17629 5685 1 17 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.761 0.059 17629 5686 1 17 . 1 1 45 45 ASN C C 45 175.581 175.581 174.994 0.587 17629 5687 1 17 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.521 -1.520 17629 5688 1 17 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.359 -1.592 17629 5689 1 17 . 1 1 45 45 ASN H H 45 8.342 8.342 7.997 0.345 17629 5690 1 17 . 1 1 46 46 GLU N N 46 120.491 120.491 122.188 -1.697 17629 5691 1 17 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.573 -0.623 17629 5692 1 17 . 1 1 46 46 GLU C C 46 177.658 177.658 174.842 2.816 17629 5693 1 17 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.822 4.316 17629 5694 1 17 . 1 1 46 46 GLU CB C 46 29.508 29.508 30.938 -1.430 17629 5695 1 17 . 1 1 46 46 GLU H H 46 8.521 8.521 7.874 0.647 17629 5696 1 17 . 1 1 47 47 SER N N 47 109.172 109.172 122.541 -13.369 17629 5697 1 17 . 1 1 47 47 SER HA H 47 4.376 4.376 5.040 -0.664 17629 5698 1 17 . 1 1 47 47 SER C C 47 175.760 175.760 173.681 2.079 17629 5699 1 17 . 1 1 47 47 SER CA C 47 58.349 58.349 57.136 1.213 17629 5700 1 17 . 1 1 47 47 SER CB C 47 63.906 63.906 66.333 -2.427 17629 5701 1 17 . 1 1 47 47 SER H H 47 8.029 8.029 8.643 -0.614 17629 5702 1 17 . 1 1 48 48 GLY N N 48 112.365 112.365 112.419 -0.054 17629 5703 1 17 . 1 1 48 48 GLY C C 48 174.289 174.289 171.870 2.419 17629 5704 1 17 . 1 1 48 48 GLY CA C 48 45.946 45.946 44.840 1.106 17629 5705 1 17 . 1 1 48 48 GLY H H 48 8.002 8.002 8.982 -0.980 17629 5706 1 17 . 1 1 49 49 SER N N 49 116.280 116.280 114.751 1.529 17629 5707 1 17 . 1 1 49 49 SER HA H 49 4.387 4.387 5.058 -0.671 17629 5708 1 17 . 1 1 49 49 SER C C 49 174.474 174.474 174.244 0.230 17629 5709 1 17 . 1 1 49 49 SER CA C 49 58.778 58.778 57.752 1.026 17629 5710 1 17 . 1 1 49 49 SER CB C 49 64.138 64.138 64.735 -0.597 17629 5711 1 17 . 1 1 49 49 SER H H 49 8.529 8.529 8.215 0.314 17629 5712 1 17 . 1 1 50 50 LYS N N 50 122.336 122.336 116.773 5.563 17629 5713 1 17 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.202 -0.525 17629 5714 1 17 . 1 1 50 50 LYS C C 50 173.788 173.788 174.035 -0.247 17629 5715 1 17 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.606 3.314 17629 5716 1 17 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.802 0.860 17629 5717 1 17 . 1 1 50 50 LYS H H 50 7.879 7.879 9.250 -1.371 17629 5718 1 17 . 1 1 51 51 THR HA H 51 5.465 5.465 4.060 1.405 17629 5719 1 17 . 1 1 51 51 THR C C 51 173.478 173.478 174.203 -0.725 17629 5720 1 17 . 1 1 51 51 THR CA C 51 59.703 59.703 61.552 -1.849 17629 5721 1 17 . 1 1 51 51 THR CB C 51 71.505 71.505 69.066 2.439 17629 5722 1 17 . 1 1 52 52 GLY N N 52 110.609 110.609 111.266 -0.657 17629 5723 1 17 . 1 1 52 52 GLY C C 52 170.386 170.386 175.867 -5.481 17629 5724 1 17 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.904 -1.527 17629 5725 1 17 . 1 1 52 52 GLY H H 52 9.039 9.039 8.582 0.457 17629 5726 1 17 . 1 1 53 53 LEU N N 53 120.239 120.239 118.649 1.590 17629 5727 1 17 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.297 0.902 17629 5728 1 17 . 1 1 53 53 LEU C C 53 177.929 177.929 176.802 1.127 17629 5729 1 17 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.326 -1.708 17629 5730 1 17 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.658 2.386 17629 5731 1 17 . 1 1 53 53 LEU H H 53 9.169 9.169 8.378 0.791 17629 5732 1 17 . 1 1 54 54 VAL N N 54 111.925 111.925 116.277 -4.352 17629 5733 1 17 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.449 0.391 17629 5734 1 17 . 1 1 54 54 VAL C C 54 172.319 172.319 174.544 -2.225 17629 5735 1 17 . 1 1 54 54 VAL CA C 54 57.190 57.190 61.102 -3.912 17629 5736 1 17 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.651 0.551 17629 5737 1 17 . 1 1 54 54 VAL H H 54 9.191 9.191 7.636 1.555 17629 5738 1 17 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.293 -1.180 17629 5739 1 17 . 1 1 55 55 PRO C C 55 178.107 178.107 176.131 1.976 17629 5740 1 17 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.332 0.704 17629 5741 1 17 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.284 -3.854 17629 5742 1 17 . 1 1 56 56 GLU N N 56 126.923 126.923 120.810 6.113 17629 5743 1 17 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.663 -0.907 17629 5744 1 17 . 1 1 56 56 GLU C C 56 177.586 177.586 176.025 1.561 17629 5745 1 17 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.950 4.102 17629 5746 1 17 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.437 -1.224 17629 5747 1 17 . 1 1 56 56 GLU H H 56 8.503 8.503 8.752 -0.249 17629 5748 1 17 . 1 1 57 57 GLU N N 57 113.138 113.138 127.844 -14.706 17629 5749 1 17 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.307 0.028 17629 5750 1 17 . 1 1 57 57 GLU C C 57 175.950 175.950 177.120 -1.170 17629 5751 1 17 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.195 -0.561 17629 5752 1 17 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.154 0.661 17629 5753 1 17 . 1 1 57 57 GLU H H 57 8.743 8.743 8.974 -0.231 17629 5754 1 17 . 1 1 58 58 PHE N N 58 116.994 116.994 124.150 -7.156 17629 5755 1 17 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.581 0.206 17629 5756 1 17 . 1 1 58 58 PHE C C 58 174.773 174.773 175.225 -0.452 17629 5757 1 17 . 1 1 58 58 PHE CB C 58 38.671 38.671 39.783 -1.112 17629 5758 1 17 . 1 1 58 58 PHE H H 58 8.002 8.002 7.959 0.043 17629 5759 1 17 . 1 1 59 59 VAL N N 59 110.037 110.037 122.752 -12.715 17629 5760 1 17 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.557 0.853 17629 5761 1 17 . 1 1 59 59 VAL C C 59 173.781 173.781 174.466 -0.685 17629 5762 1 17 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.679 -1.757 17629 5763 1 17 . 1 1 59 59 VAL CB C 59 35.172 35.172 31.691 3.481 17629 5764 1 17 . 1 1 59 59 VAL H H 59 7.328 7.328 8.217 -0.889 17629 5765 1 17 . 1 1 60 60 SER HA H 60 4.711 4.711 4.381 0.330 17629 5766 1 17 . 1 1 60 60 SER C C 60 174.901 174.901 174.464 0.437 17629 5767 1 17 . 1 1 60 60 SER CA C 60 55.416 55.416 59.869 -4.453 17629 5768 1 17 . 1 1 60 60 SER CB C 60 64.846 64.846 63.518 1.328 17629 5769 1 17 . 1 1 61 61 TYR N N 61 126.709 126.709 117.469 9.240 17629 5770 1 17 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.681 -0.107 17629 5771 1 17 . 1 1 61 61 TYR C C 61 176.232 176.232 174.789 1.443 17629 5772 1 17 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.026 1.214 17629 5773 1 17 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.514 -0.527 17629 5774 1 17 . 1 1 61 61 TYR H H 61 8.560 8.560 8.288 0.272 17629 5775 1 17 . 1 1 62 62 ILE N N 62 122.059 122.059 116.105 5.954 17629 5776 1 17 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.937 -0.694 17629 5777 1 17 . 1 1 62 62 ILE C C 62 175.812 175.812 174.976 0.836 17629 5778 1 17 . 1 1 62 62 ILE CA C 62 60.630 60.630 59.917 0.713 17629 5779 1 17 . 1 1 62 62 ILE CB C 62 39.160 39.160 40.384 -1.224 17629 5780 1 17 . 1 1 62 62 ILE H H 62 8.303 8.303 7.865 0.438 17629 5781 1 18 . 1 1 2 2 LYS N N 2 125.410 125.410 124.733 0.677 17629 5782 1 18 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.528 -0.410 17629 5783 1 18 . 1 1 2 2 LYS C C 2 176.439 176.439 176.449 -0.010 17629 5784 1 18 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.025 0.548 17629 5785 1 18 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.498 -0.298 17629 5786 1 18 . 1 1 2 2 LYS H H 2 8.079 8.079 7.855 0.224 17629 5787 1 18 . 1 1 3 3 PHE N N 3 123.092 123.092 124.768 -1.676 17629 5788 1 18 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.199 -0.778 17629 5789 1 18 . 1 1 3 3 PHE C C 3 175.856 175.856 174.836 1.020 17629 5790 1 18 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.576 1.089 17629 5791 1 18 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.722 -1.111 17629 5792 1 18 . 1 1 3 3 PHE H H 3 8.251 8.251 8.738 -0.487 17629 5793 1 18 . 1 1 4 4 ILE N N 4 125.149 125.149 118.155 6.994 17629 5794 1 18 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.536 -0.321 17629 5795 1 18 . 1 1 4 4 ILE C C 4 175.190 175.190 172.954 2.236 17629 5796 1 18 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.519 1.260 17629 5797 1 18 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.632 -2.100 17629 5798 1 18 . 1 1 4 4 ILE H H 4 7.775 7.775 8.844 -1.069 17629 5799 1 18 . 1 1 5 5 PRO N N 5 121.258 121.258 118.853 2.405 17629 5800 1 18 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.201 -1.442 17629 5801 1 18 . 1 1 5 5 PRO C C 5 174.455 174.455 173.497 0.958 17629 5802 1 18 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.408 3.932 17629 5803 1 18 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.849 -4.979 17629 5804 1 18 . 1 1 5 5 PRO H H 5 8.238 8.238 8.487 -0.249 17629 5805 1 18 . 1 1 6 6 SER N N 6 118.930 118.930 126.078 -7.148 17629 5806 1 18 . 1 1 6 6 SER HA H 6 4.439 4.439 4.767 -0.328 17629 5807 1 18 . 1 1 6 6 SER C C 6 174.756 174.756 176.010 -1.254 17629 5808 1 18 . 1 1 6 6 SER CA C 6 55.269 55.269 54.575 0.694 17629 5809 1 18 . 1 1 6 6 SER CB C 6 31.970 31.970 28.847 3.123 17629 5810 1 18 . 1 1 6 6 SER H H 6 9.042 9.042 8.779 0.263 17629 5811 1 18 . 1 1 7 7 ARG N N 7 124.908 124.908 123.781 1.127 17629 5812 1 18 . 1 1 7 7 ARG HA H 7 4.998 4.998 4.032 0.966 17629 5813 1 18 . 1 1 7 7 ARG C C 7 175.313 175.313 175.783 -0.470 17629 5814 1 18 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.523 -1.054 17629 5815 1 18 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.058 2.482 17629 5816 1 18 . 1 1 7 7 ARG H H 7 7.601 7.601 8.526 -0.925 17629 5817 1 18 . 1 1 8 8 ALA N N 8 126.210 126.210 118.239 7.971 17629 5818 1 18 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.204 0.786 17629 5819 1 18 . 1 1 8 8 ALA C C 8 173.314 173.314 175.749 -2.435 17629 5820 1 18 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.631 1.139 17629 5821 1 18 . 1 1 8 8 ALA CB C 8 23.215 23.215 20.913 2.302 17629 5822 1 18 . 1 1 8 8 ALA H H 8 9.198 9.198 7.047 2.151 17629 5823 1 18 . 1 1 9 9 ALA N N 9 117.480 117.480 121.094 -3.614 17629 5824 1 18 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.358 -0.754 17629 5825 1 18 . 1 1 9 9 ALA C C 9 174.805 174.805 174.836 -0.031 17629 5826 1 18 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.970 -5.145 17629 5827 1 18 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.136 3.021 17629 5828 1 18 . 1 1 9 9 ALA H H 9 8.571 8.571 8.225 0.346 17629 5829 1 18 . 1 1 10 10 PRO N N 10 127.491 127.491 126.098 1.393 17629 5830 1 18 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.920 -0.451 17629 5831 1 18 . 1 1 10 10 PRO C C 10 178.703 178.703 175.114 3.589 17629 5832 1 18 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.460 0.361 17629 5833 1 18 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.458 -3.261 17629 5834 1 18 . 1 1 10 10 PRO H H 10 9.208 9.208 8.724 0.484 17629 5835 1 18 . 1 1 11 11 LYS N N 11 127.224 127.224 125.585 1.639 17629 5836 1 18 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.494 0.053 17629 5837 1 18 . 1 1 11 11 LYS C C 11 175.084 175.084 173.729 1.355 17629 5838 1 18 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.652 5.693 17629 5839 1 18 . 1 1 11 11 LYS CB C 11 43.437 43.437 44.294 -0.857 17629 5840 1 18 . 1 1 11 11 LYS H H 11 8.270 8.270 7.811 0.459 17629 5841 1 18 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.645 -0.890 17629 5842 1 18 . 1 1 12 12 PRO C C 12 173.503 173.503 174.680 -1.177 17629 5843 1 18 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.360 3.427 17629 5844 1 18 . 1 1 13 13 PRO N N 13 117.819 117.819 123.802 -5.983 17629 5845 1 18 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.284 0.034 17629 5846 1 18 . 1 1 13 13 PRO C C 13 175.940 175.940 176.079 -0.139 17629 5847 1 18 . 1 1 13 13 PRO CA C 13 54.569 54.569 54.311 0.258 17629 5848 1 18 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.519 -0.030 17629 5849 1 18 . 1 1 13 13 PRO H H 13 8.361 8.361 9.066 -0.705 17629 5850 1 18 . 1 1 14 14 SER N N 14 122.300 122.300 118.477 3.823 17629 5851 1 18 . 1 1 14 14 SER HA H 14 4.361 4.361 4.585 -0.224 17629 5852 1 18 . 1 1 14 14 SER C C 14 172.522 172.522 174.923 -2.401 17629 5853 1 18 . 1 1 14 14 SER CA C 14 56.389 56.389 57.383 -0.994 17629 5854 1 18 . 1 1 14 14 SER CB C 14 42.864 42.864 40.590 2.274 17629 5855 1 18 . 1 1 14 14 SER H H 14 8.138 8.138 7.498 0.640 17629 5856 1 18 . 1 1 15 15 GLU N N 15 128.991 128.991 119.259 9.732 17629 5857 1 18 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.359 0.328 17629 5858 1 18 . 1 1 15 15 GLU C C 15 172.941 172.941 175.490 -2.549 17629 5859 1 18 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.707 -6.292 17629 5860 1 18 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.688 0.502 17629 5861 1 18 . 1 1 15 15 GLU H H 15 8.234 8.234 8.573 -0.339 17629 5862 1 18 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.360 -0.059 17629 5863 1 18 . 1 1 16 16 ALA C C 16 177.175 177.175 175.875 1.300 17629 5864 1 18 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.508 0.091 17629 5865 1 18 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.191 2.294 17629 5866 1 18 . 1 1 16 16 ALA H H 16 8.263 8.263 7.943 0.320 17629 5867 1 18 . 1 1 17 17 GLU N N 17 119.882 119.882 120.012 -0.130 17629 5868 1 18 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.706 -0.327 17629 5869 1 18 . 1 1 17 17 GLU C C 17 175.065 175.065 175.244 -0.179 17629 5870 1 18 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.437 0.144 17629 5871 1 18 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.268 -0.491 17629 5872 1 18 . 1 1 17 17 GLU H H 17 8.952 8.952 7.560 1.392 17629 5873 1 18 . 1 1 18 18 ASN N N 18 114.565 114.565 120.213 -5.648 17629 5874 1 18 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.093 -0.223 17629 5875 1 18 . 1 1 18 18 ASN C C 18 175.256 175.256 174.528 0.728 17629 5876 1 18 . 1 1 18 18 ASN CA C 18 51.950 51.950 52.034 -0.084 17629 5877 1 18 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.615 1.831 17629 5878 1 18 . 1 1 18 18 ASN H H 18 7.177 7.177 9.070 -1.893 17629 5879 1 18 . 1 1 19 19 ASP N N 19 120.622 120.622 120.826 -0.204 17629 5880 1 18 . 1 1 19 19 ASP HA H 19 4.512 4.512 5.009 -0.497 17629 5881 1 18 . 1 1 19 19 ASP C C 19 175.848 175.848 175.469 0.379 17629 5882 1 18 . 1 1 19 19 ASP CA C 19 56.450 56.450 53.822 2.627 17629 5883 1 18 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.852 -1.193 17629 5884 1 18 . 1 1 19 19 ASP H H 19 8.753 8.753 8.410 0.343 17629 5885 1 18 . 1 1 20 20 ASN N N 20 115.197 115.197 119.244 -4.047 17629 5886 1 18 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.131 -0.366 17629 5887 1 18 . 1 1 20 20 ASN C C 20 174.017 174.017 173.619 0.398 17629 5888 1 18 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.247 -5.829 17629 5889 1 18 . 1 1 20 20 ASN H H 20 8.124 8.124 9.307 -1.183 17629 5890 1 18 . 1 1 21 21 GLU N N 21 119.591 119.591 122.766 -3.175 17629 5891 1 18 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.669 0.180 17629 5892 1 18 . 1 1 21 21 GLU C C 21 174.638 174.638 174.634 0.004 17629 5893 1 18 . 1 1 21 21 GLU CA C 21 54.545 54.545 54.980 -0.435 17629 5894 1 18 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.610 0.097 17629 5895 1 18 . 1 1 21 21 GLU H H 21 7.453 7.453 8.317 -0.864 17629 5896 1 18 . 1 1 22 22 LEU N N 22 126.694 126.694 126.410 0.284 17629 5897 1 18 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.850 0.505 17629 5898 1 18 . 1 1 22 22 LEU C C 22 173.258 173.258 177.978 -4.720 17629 5899 1 18 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.529 -3.081 17629 5900 1 18 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.522 2.828 17629 5901 1 18 . 1 1 22 22 LEU H H 22 8.765 8.765 8.804 -0.039 17629 5902 1 18 . 1 1 23 23 ARG N N 23 123.640 123.640 127.895 -4.255 17629 5903 1 18 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.847 0.329 17629 5904 1 18 . 1 1 23 23 ARG C C 23 176.038 176.038 175.816 0.222 17629 5905 1 18 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.700 1.419 17629 5906 1 18 . 1 1 23 23 ARG H H 23 8.023 8.023 8.900 -0.877 17629 5907 1 18 . 1 1 24 24 LEU N N 24 122.047 122.047 122.753 -0.706 17629 5908 1 18 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.411 0.515 17629 5909 1 18 . 1 1 24 24 LEU C C 24 176.320 176.320 175.861 0.459 17629 5910 1 18 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.500 -1.911 17629 5911 1 18 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.050 2.791 17629 5912 1 18 . 1 1 24 24 LEU H H 24 8.686 8.686 8.283 0.403 17629 5913 1 18 . 1 1 25 25 ALA N N 25 127.826 127.826 123.385 4.441 17629 5914 1 18 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.813 0.237 17629 5915 1 18 . 1 1 25 25 ALA C C 25 176.497 176.497 176.482 0.015 17629 5916 1 18 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.793 -1.057 17629 5917 1 18 . 1 1 25 25 ALA CB C 25 20.767 20.767 20.233 0.534 17629 5918 1 18 . 1 1 25 25 ALA H H 25 8.747 8.747 8.035 0.712 17629 5919 1 18 . 1 1 26 26 GLU N N 26 121.396 121.396 120.096 1.300 17629 5920 1 18 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.821 -1.630 17629 5921 1 18 . 1 1 26 26 GLU C C 26 177.095 177.095 174.379 2.716 17629 5922 1 18 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.046 5.409 17629 5923 1 18 . 1 1 26 26 GLU CB C 26 29.440 29.440 32.815 -3.375 17629 5924 1 18 . 1 1 26 26 GLU H H 26 8.756 8.756 8.749 0.007 17629 5925 1 18 . 1 1 27 27 GLY N N 27 115.237 115.237 108.178 7.059 17629 5926 1 18 . 1 1 27 27 GLY C C 27 174.571 174.571 174.734 -0.163 17629 5927 1 18 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.892 1.884 17629 5928 1 18 . 1 1 27 27 GLY H H 27 8.878 8.878 8.368 0.510 17629 5929 1 18 . 1 1 28 28 ASP N N 28 122.805 122.805 125.588 -2.783 17629 5930 1 18 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.611 -0.129 17629 5931 1 18 . 1 1 28 28 ASP C C 28 174.781 174.781 176.636 -1.855 17629 5932 1 18 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.825 2.667 17629 5933 1 18 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.830 3.904 17629 5934 1 18 . 1 1 28 28 ASP H H 28 8.655 8.655 8.812 -0.157 17629 5935 1 18 . 1 1 29 29 ILE N N 29 120.912 120.912 128.195 -7.283 17629 5936 1 18 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.188 0.721 17629 5937 1 18 . 1 1 29 29 ILE C C 29 176.392 176.392 175.077 1.315 17629 5938 1 18 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.428 -6.494 17629 5939 1 18 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.322 -1.712 17629 5940 1 18 . 1 1 29 29 ILE H H 29 8.484 8.484 8.626 -0.142 17629 5941 1 18 . 1 1 30 30 VAL N N 30 118.766 118.766 113.840 4.926 17629 5942 1 18 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.379 0.465 17629 5943 1 18 . 1 1 30 30 VAL C C 30 173.455 173.455 173.516 -0.061 17629 5944 1 18 . 1 1 30 30 VAL CA C 30 58.135 58.135 61.014 -2.879 17629 5945 1 18 . 1 1 30 30 VAL CB C 30 35.470 35.470 33.120 2.350 17629 5946 1 18 . 1 1 30 30 VAL H H 30 8.840 8.840 7.434 1.406 17629 5947 1 18 . 1 1 31 31 PHE N N 31 118.993 118.993 124.753 -5.760 17629 5948 1 18 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.558 0.408 17629 5949 1 18 . 1 1 31 31 PHE C C 31 175.600 175.600 174.589 1.011 17629 5950 1 18 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.137 -1.440 17629 5951 1 18 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.784 1.386 17629 5952 1 18 . 1 1 31 31 PHE H H 31 8.961 8.961 8.672 0.289 17629 5953 1 18 . 1 1 32 32 ILE N N 32 124.714 124.714 126.341 -1.627 17629 5954 1 18 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.474 -0.104 17629 5955 1 18 . 1 1 32 32 ILE C C 32 175.776 175.776 175.692 0.084 17629 5956 1 18 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.452 -1.903 17629 5957 1 18 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.638 -5.603 17629 5958 1 18 . 1 1 32 32 ILE H H 32 9.043 9.043 8.214 0.829 17629 5959 1 18 . 1 1 33 33 SER N N 33 124.251 124.251 115.366 8.885 17629 5960 1 18 . 1 1 33 33 SER HA H 33 4.630 4.630 4.148 0.482 17629 5961 1 18 . 1 1 33 33 SER C C 33 175.353 175.353 174.525 0.828 17629 5962 1 18 . 1 1 33 33 SER CA C 33 59.396 59.396 58.556 0.840 17629 5963 1 18 . 1 1 33 33 SER H H 33 9.128 9.128 8.102 1.026 17629 5964 1 18 . 1 1 34 34 TYR N N 34 114.956 114.956 116.893 -1.937 17629 5965 1 18 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.268 0.580 17629 5966 1 18 . 1 1 34 34 TYR C C 34 172.582 172.582 175.867 -3.285 17629 5967 1 18 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.190 -2.068 17629 5968 1 18 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.754 3.506 17629 5969 1 18 . 1 1 34 34 TYR H H 34 7.457 7.457 8.745 -1.288 17629 5970 1 18 . 1 1 35 35 LYS N N 35 122.237 122.237 115.162 7.075 17629 5971 1 18 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.651 0.948 17629 5972 1 18 . 1 1 35 35 LYS C C 35 175.174 175.174 174.656 0.518 17629 5973 1 18 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.241 -0.494 17629 5974 1 18 . 1 1 35 35 LYS H H 35 8.697 8.697 8.536 0.161 17629 5975 1 18 . 1 1 36 36 HIS N N 36 127.413 127.413 117.463 9.950 17629 5976 1 18 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.833 -0.181 17629 5977 1 18 . 1 1 36 36 HIS C C 36 175.918 175.918 173.849 2.069 17629 5978 1 18 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.612 3.721 17629 5979 1 18 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.920 0.862 17629 5980 1 18 . 1 1 36 36 HIS H H 36 8.122 8.122 7.740 0.382 17629 5981 1 18 . 1 1 37 37 GLY N N 37 105.500 105.500 109.196 -3.696 17629 5982 1 18 . 1 1 37 37 GLY C C 37 174.073 174.073 174.146 -0.073 17629 5983 1 18 . 1 1 37 37 GLY CA C 37 43.784 43.784 43.987 -0.203 17629 5984 1 18 . 1 1 37 37 GLY H H 37 8.000 8.000 9.241 -1.241 17629 5985 1 18 . 1 1 38 38 GLN N N 38 114.228 114.228 123.881 -9.653 17629 5986 1 18 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.614 -0.523 17629 5987 1 18 . 1 1 38 38 GLN C C 38 175.546 175.546 174.768 0.778 17629 5988 1 18 . 1 1 38 38 GLN CA C 38 56.938 56.938 56.072 0.866 17629 5989 1 18 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.278 0.282 17629 5990 1 18 . 1 1 38 38 GLN H H 38 9.025 9.025 7.793 1.232 17629 5991 1 18 . 1 1 39 39 GLY N N 39 104.000 104.000 116.093 -12.093 17629 5992 1 18 . 1 1 39 39 GLY C C 39 174.892 174.892 172.729 2.163 17629 5993 1 18 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.731 2.879 17629 5994 1 18 . 1 1 39 39 GLY H H 39 8.664 8.664 8.903 -0.239 17629 5995 1 18 . 1 1 40 40 TRP N N 40 120.355 120.355 119.632 0.723 17629 5996 1 18 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.445 -0.194 17629 5997 1 18 . 1 1 40 40 TRP C C 40 175.702 175.702 176.468 -0.766 17629 5998 1 18 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.627 1.972 17629 5999 1 18 . 1 1 40 40 TRP CB C 40 33.358 33.358 32.800 0.559 17629 6000 1 18 . 1 1 40 40 TRP H H 40 7.938 7.938 8.292 -0.354 17629 6001 1 18 . 1 1 41 41 LEU N N 41 121.736 121.736 122.998 -1.262 17629 6002 1 18 . 1 1 41 41 LEU HA H 41 4.967 4.967 3.966 1.001 17629 6003 1 18 . 1 1 41 41 LEU C C 41 174.893 174.893 177.515 -2.622 17629 6004 1 18 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.590 -1.651 17629 6005 1 18 . 1 1 41 41 LEU CB C 41 44.656 44.656 42.334 2.322 17629 6006 1 18 . 1 1 41 41 LEU H H 41 9.626 9.626 8.787 0.839 17629 6007 1 18 . 1 1 42 42 VAL N N 42 120.248 120.248 118.287 1.961 17629 6008 1 18 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.740 0.368 17629 6009 1 18 . 1 1 42 42 VAL C C 42 173.905 173.905 177.613 -3.708 17629 6010 1 18 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.648 -1.349 17629 6011 1 18 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.743 0.019 17629 6012 1 18 . 1 1 42 42 VAL H H 42 8.593 8.593 8.602 -0.009 17629 6013 1 18 . 1 1 43 43 ALA N N 43 130.238 130.238 120.587 9.651 17629 6014 1 18 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.196 1.293 17629 6015 1 18 . 1 1 43 43 ALA C C 43 174.736 174.736 177.888 -3.152 17629 6016 1 18 . 1 1 43 43 ALA CA C 43 49.698 49.698 52.956 -3.258 17629 6017 1 18 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.290 5.836 17629 6018 1 18 . 1 1 43 43 ALA H H 43 9.080 9.080 7.829 1.251 17629 6019 1 18 . 1 1 44 44 GLU N N 44 118.066 118.066 120.427 -2.361 17629 6020 1 18 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.161 1.209 17629 6021 1 18 . 1 1 44 44 GLU C C 44 176.343 176.343 175.897 0.446 17629 6022 1 18 . 1 1 44 44 GLU CA C 44 53.914 53.914 56.961 -3.047 17629 6023 1 18 . 1 1 44 44 GLU H H 44 9.055 9.055 8.291 0.764 17629 6024 1 18 . 1 1 45 45 ASN N N 45 118.721 118.721 117.966 0.755 17629 6025 1 18 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.772 0.048 17629 6026 1 18 . 1 1 45 45 ASN C C 45 175.581 175.581 175.089 0.492 17629 6027 1 18 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.214 -1.213 17629 6028 1 18 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.611 -1.844 17629 6029 1 18 . 1 1 45 45 ASN H H 45 8.342 8.342 8.413 -0.071 17629 6030 1 18 . 1 1 46 46 GLU N N 46 120.491 120.491 122.257 -1.766 17629 6031 1 18 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.652 -0.702 17629 6032 1 18 . 1 1 46 46 GLU C C 46 177.658 177.658 174.596 3.062 17629 6033 1 18 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.837 4.301 17629 6034 1 18 . 1 1 46 46 GLU CB C 46 29.508 29.508 32.385 -2.877 17629 6035 1 18 . 1 1 46 46 GLU H H 46 8.521 8.521 8.108 0.413 17629 6036 1 18 . 1 1 47 47 SER N N 47 109.172 109.172 119.950 -10.778 17629 6037 1 18 . 1 1 47 47 SER HA H 47 4.376 4.376 5.058 -0.682 17629 6038 1 18 . 1 1 47 47 SER C C 47 175.760 175.760 173.679 2.081 17629 6039 1 18 . 1 1 47 47 SER CA C 47 58.349 58.349 56.977 1.372 17629 6040 1 18 . 1 1 47 47 SER CB C 47 63.906 63.906 66.656 -2.750 17629 6041 1 18 . 1 1 47 47 SER H H 47 8.029 8.029 8.564 -0.535 17629 6042 1 18 . 1 1 48 48 GLY N N 48 112.365 112.365 110.211 2.154 17629 6043 1 18 . 1 1 48 48 GLY C C 48 174.289 174.289 171.781 2.508 17629 6044 1 18 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.451 0.495 17629 6045 1 18 . 1 1 48 48 GLY H H 48 8.002 8.002 8.814 -0.812 17629 6046 1 18 . 1 1 49 49 SER N N 49 116.280 116.280 114.926 1.354 17629 6047 1 18 . 1 1 49 49 SER HA H 49 4.387 4.387 5.085 -0.698 17629 6048 1 18 . 1 1 49 49 SER C C 49 174.474 174.474 174.274 0.200 17629 6049 1 18 . 1 1 49 49 SER CA C 49 58.778 58.778 57.657 1.121 17629 6050 1 18 . 1 1 49 49 SER CB C 49 64.138 64.138 64.905 -0.767 17629 6051 1 18 . 1 1 49 49 SER H H 49 8.529 8.529 8.106 0.423 17629 6052 1 18 . 1 1 50 50 LYS N N 50 122.336 122.336 116.063 6.273 17629 6053 1 18 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.161 -0.484 17629 6054 1 18 . 1 1 50 50 LYS C C 50 173.788 173.788 173.999 -0.211 17629 6055 1 18 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.651 3.269 17629 6056 1 18 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.665 0.997 17629 6057 1 18 . 1 1 50 50 LYS H H 50 7.879 7.879 9.184 -1.305 17629 6058 1 18 . 1 1 51 51 THR HA H 51 5.465 5.465 4.046 1.419 17629 6059 1 18 . 1 1 51 51 THR C C 51 173.478 173.478 173.900 -0.422 17629 6060 1 18 . 1 1 51 51 THR CA C 51 59.703 59.703 61.464 -1.761 17629 6061 1 18 . 1 1 51 51 THR CB C 51 71.505 71.505 69.268 2.237 17629 6062 1 18 . 1 1 52 52 GLY N N 52 110.609 110.609 110.533 0.076 17629 6063 1 18 . 1 1 52 52 GLY C C 52 170.386 170.386 175.193 -4.807 17629 6064 1 18 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.586 -1.209 17629 6065 1 18 . 1 1 52 52 GLY H H 52 9.039 9.039 8.229 0.810 17629 6066 1 18 . 1 1 53 53 LEU N N 53 120.239 120.239 117.901 2.338 17629 6067 1 18 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.282 0.917 17629 6068 1 18 . 1 1 53 53 LEU C C 53 177.929 177.929 176.853 1.076 17629 6069 1 18 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.137 -1.519 17629 6070 1 18 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.894 2.150 17629 6071 1 18 . 1 1 53 53 LEU H H 53 9.169 9.169 8.369 0.800 17629 6072 1 18 . 1 1 54 54 VAL N N 54 111.925 111.925 116.397 -4.472 17629 6073 1 18 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.397 0.443 17629 6074 1 18 . 1 1 54 54 VAL C C 54 172.319 172.319 174.599 -2.280 17629 6075 1 18 . 1 1 54 54 VAL CA C 54 57.190 57.190 61.412 -4.222 17629 6076 1 18 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.595 0.607 17629 6077 1 18 . 1 1 54 54 VAL H H 54 9.191 9.191 7.651 1.540 17629 6078 1 18 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.443 -1.330 17629 6079 1 18 . 1 1 55 55 PRO C C 55 178.107 178.107 176.280 1.827 17629 6080 1 18 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.261 0.774 17629 6081 1 18 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.233 -3.803 17629 6082 1 18 . 1 1 56 56 GLU N N 56 126.923 126.923 120.603 6.320 17629 6083 1 18 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.613 -0.857 17629 6084 1 18 . 1 1 56 56 GLU C C 56 177.586 177.586 176.018 1.568 17629 6085 1 18 . 1 1 56 56 GLU CA C 56 59.052 59.052 55.152 3.900 17629 6086 1 18 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.618 -1.405 17629 6087 1 18 . 1 1 56 56 GLU H H 56 8.503 8.503 8.581 -0.078 17629 6088 1 18 . 1 1 57 57 GLU N N 57 113.138 113.138 127.251 -14.113 17629 6089 1 18 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.286 0.049 17629 6090 1 18 . 1 1 57 57 GLU C C 57 175.950 175.950 177.067 -1.117 17629 6091 1 18 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.255 -0.621 17629 6092 1 18 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.492 0.323 17629 6093 1 18 . 1 1 57 57 GLU H H 57 8.743 8.743 8.968 -0.225 17629 6094 1 18 . 1 1 58 58 PHE N N 58 116.994 116.994 124.345 -7.351 17629 6095 1 18 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.672 0.115 17629 6096 1 18 . 1 1 58 58 PHE C C 58 174.773 174.773 174.593 0.180 17629 6097 1 18 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.384 -1.713 17629 6098 1 18 . 1 1 58 58 PHE H H 58 8.002 8.002 8.045 -0.043 17629 6099 1 18 . 1 1 59 59 VAL N N 59 110.037 110.037 123.223 -13.186 17629 6100 1 18 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.453 0.957 17629 6101 1 18 . 1 1 59 59 VAL C C 59 173.781 173.781 174.362 -0.581 17629 6102 1 18 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.986 -2.064 17629 6103 1 18 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.135 1.037 17629 6104 1 18 . 1 1 59 59 VAL H H 59 7.328 7.328 8.322 -0.994 17629 6105 1 18 . 1 1 60 60 SER HA H 60 4.711 4.711 4.432 0.279 17629 6106 1 18 . 1 1 60 60 SER C C 60 174.901 174.901 174.133 0.768 17629 6107 1 18 . 1 1 60 60 SER CA C 60 55.416 55.416 59.184 -3.768 17629 6108 1 18 . 1 1 60 60 SER CB C 60 64.846 64.846 63.852 0.994 17629 6109 1 18 . 1 1 61 61 TYR N N 61 126.709 126.709 118.023 8.686 17629 6110 1 18 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.712 -0.138 17629 6111 1 18 . 1 1 61 61 TYR C C 61 176.232 176.232 174.267 1.965 17629 6112 1 18 . 1 1 61 61 TYR CA C 61 59.240 59.240 57.954 1.286 17629 6113 1 18 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.416 -0.430 17629 6114 1 18 . 1 1 61 61 TYR H H 61 8.560 8.560 8.219 0.341 17629 6115 1 18 . 1 1 62 62 ILE N N 62 122.059 122.059 120.131 1.928 17629 6116 1 18 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.592 -0.349 17629 6117 1 18 . 1 1 62 62 ILE C C 62 175.812 175.812 175.140 0.672 17629 6118 1 18 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.640 -0.010 17629 6119 1 18 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.574 -0.414 17629 6120 1 18 . 1 1 62 62 ILE H H 62 8.303 8.303 7.597 0.706 17629 6121 1 19 . 1 1 2 2 LYS N N 2 125.410 125.410 124.164 1.246 17629 6122 1 19 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.508 -0.390 17629 6123 1 19 . 1 1 2 2 LYS C C 2 176.439 176.439 176.041 0.398 17629 6124 1 19 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.429 0.144 17629 6125 1 19 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.611 -0.411 17629 6126 1 19 . 1 1 2 2 LYS H H 2 8.079 8.079 7.723 0.356 17629 6127 1 19 . 1 1 3 3 PHE N N 3 123.092 123.092 124.700 -1.608 17629 6128 1 19 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.150 -0.729 17629 6129 1 19 . 1 1 3 3 PHE C C 3 175.856 175.856 174.841 1.015 17629 6130 1 19 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.701 0.964 17629 6131 1 19 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.706 -1.095 17629 6132 1 19 . 1 1 3 3 PHE H H 3 8.251 8.251 8.732 -0.481 17629 6133 1 19 . 1 1 4 4 ILE N N 4 125.149 125.149 118.319 6.830 17629 6134 1 19 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.641 -0.426 17629 6135 1 19 . 1 1 4 4 ILE C C 4 175.190 175.190 172.829 2.361 17629 6136 1 19 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.504 1.275 17629 6137 1 19 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.676 -2.144 17629 6138 1 19 . 1 1 4 4 ILE H H 4 7.775 7.775 8.764 -0.989 17629 6139 1 19 . 1 1 5 5 PRO N N 5 121.258 121.258 118.758 2.500 17629 6140 1 19 . 1 1 5 5 PRO HA H 5 3.759 3.759 5.013 -1.254 17629 6141 1 19 . 1 1 5 5 PRO C C 5 174.455 174.455 173.425 1.030 17629 6142 1 19 . 1 1 5 5 PRO CA C 5 53.340 53.340 50.207 3.133 17629 6143 1 19 . 1 1 5 5 PRO CB C 5 37.870 37.870 43.070 -5.200 17629 6144 1 19 . 1 1 5 5 PRO H H 5 8.238 8.238 8.633 -0.395 17629 6145 1 19 . 1 1 6 6 SER N N 6 118.930 118.930 125.520 -6.590 17629 6146 1 19 . 1 1 6 6 SER HA H 6 4.439 4.439 4.835 -0.396 17629 6147 1 19 . 1 1 6 6 SER C C 6 174.756 174.756 175.923 -1.167 17629 6148 1 19 . 1 1 6 6 SER CA C 6 55.269 55.269 54.555 0.714 17629 6149 1 19 . 1 1 6 6 SER CB C 6 31.970 31.970 28.689 3.280 17629 6150 1 19 . 1 1 6 6 SER H H 6 9.042 9.042 8.659 0.383 17629 6151 1 19 . 1 1 7 7 ARG N N 7 124.908 124.908 124.096 0.812 17629 6152 1 19 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.975 1.023 17629 6153 1 19 . 1 1 7 7 ARG C C 7 175.313 175.313 175.821 -0.508 17629 6154 1 19 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.758 -1.290 17629 6155 1 19 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.044 2.495 17629 6156 1 19 . 1 1 7 7 ARG H H 7 7.601 7.601 8.359 -0.758 17629 6157 1 19 . 1 1 8 8 ALA N N 8 126.210 126.210 117.860 8.350 17629 6158 1 19 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.204 0.786 17629 6159 1 19 . 1 1 8 8 ALA C C 8 173.314 173.314 175.654 -2.340 17629 6160 1 19 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.601 1.169 17629 6161 1 19 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.162 2.054 17629 6162 1 19 . 1 1 8 8 ALA H H 8 9.198 9.198 7.109 2.089 17629 6163 1 19 . 1 1 9 9 ALA N N 9 117.480 117.480 120.309 -2.829 17629 6164 1 19 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.354 -0.750 17629 6165 1 19 . 1 1 9 9 ALA C C 9 174.805 174.805 174.729 0.076 17629 6166 1 19 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.794 -4.969 17629 6167 1 19 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.195 2.962 17629 6168 1 19 . 1 1 9 9 ALA H H 9 8.571 8.571 8.145 0.426 17629 6169 1 19 . 1 1 10 10 PRO N N 10 127.491 127.491 126.533 0.958 17629 6170 1 19 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.909 -0.440 17629 6171 1 19 . 1 1 10 10 PRO C C 10 178.703 178.703 175.149 3.554 17629 6172 1 19 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.355 0.466 17629 6173 1 19 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.480 -3.284 17629 6174 1 19 . 1 1 10 10 PRO H H 10 9.208 9.208 8.683 0.525 17629 6175 1 19 . 1 1 11 11 LYS N N 11 127.224 127.224 125.810 1.414 17629 6176 1 19 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.500 0.047 17629 6177 1 19 . 1 1 11 11 LYS C C 11 175.084 175.084 173.712 1.372 17629 6178 1 19 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.595 5.750 17629 6179 1 19 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.021 0.416 17629 6180 1 19 . 1 1 11 11 LYS H H 11 8.270 8.270 7.843 0.427 17629 6181 1 19 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.349 -0.594 17629 6182 1 19 . 1 1 12 12 PRO C C 12 173.503 173.503 174.243 -0.740 17629 6183 1 19 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.773 3.014 17629 6184 1 19 . 1 1 13 13 PRO N N 13 117.819 117.819 121.693 -3.874 17629 6185 1 19 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.355 -0.037 17629 6186 1 19 . 1 1 13 13 PRO C C 13 175.940 175.940 175.792 0.148 17629 6187 1 19 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.958 0.611 17629 6188 1 19 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.814 -0.325 17629 6189 1 19 . 1 1 13 13 PRO H H 13 8.361 8.361 8.661 -0.300 17629 6190 1 19 . 1 1 14 14 SER N N 14 122.300 122.300 119.493 2.807 17629 6191 1 19 . 1 1 14 14 SER HA H 14 4.361 4.361 4.637 -0.276 17629 6192 1 19 . 1 1 14 14 SER C C 14 172.522 172.522 175.321 -2.799 17629 6193 1 19 . 1 1 14 14 SER CA C 14 56.389 56.389 57.370 -0.981 17629 6194 1 19 . 1 1 14 14 SER CB C 14 42.864 42.864 40.050 2.814 17629 6195 1 19 . 1 1 14 14 SER H H 14 8.138 8.138 7.574 0.564 17629 6196 1 19 . 1 1 15 15 GLU N N 15 128.991 128.991 119.034 9.957 17629 6197 1 19 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.371 0.316 17629 6198 1 19 . 1 1 15 15 GLU C C 15 172.941 172.941 175.723 -2.782 17629 6199 1 19 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.417 -6.002 17629 6200 1 19 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.480 0.710 17629 6201 1 19 . 1 1 15 15 GLU H H 15 8.234 8.234 8.573 -0.339 17629 6202 1 19 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.312 -0.011 17629 6203 1 19 . 1 1 16 16 ALA C C 16 177.175 177.175 176.077 1.098 17629 6204 1 19 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.498 0.101 17629 6205 1 19 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.059 2.425 17629 6206 1 19 . 1 1 16 16 ALA H H 16 8.263 8.263 7.938 0.325 17629 6207 1 19 . 1 1 17 17 GLU N N 17 119.882 119.882 119.954 -0.072 17629 6208 1 19 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.697 -0.318 17629 6209 1 19 . 1 1 17 17 GLU C C 17 175.065 175.065 174.657 0.408 17629 6210 1 19 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.318 0.263 17629 6211 1 19 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.189 -0.412 17629 6212 1 19 . 1 1 17 17 GLU H H 17 8.952 8.952 7.399 1.553 17629 6213 1 19 . 1 1 18 18 ASN N N 18 114.565 114.565 120.036 -5.471 17629 6214 1 19 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.109 -0.239 17629 6215 1 19 . 1 1 18 18 ASN C C 18 175.256 175.256 174.459 0.797 17629 6216 1 19 . 1 1 18 18 ASN CA C 18 51.950 51.950 52.198 -0.248 17629 6217 1 19 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.342 2.104 17629 6218 1 19 . 1 1 18 18 ASN H H 18 7.177 7.177 8.731 -1.554 17629 6219 1 19 . 1 1 19 19 ASP N N 19 120.622 120.622 120.838 -0.216 17629 6220 1 19 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.978 -0.466 17629 6221 1 19 . 1 1 19 19 ASP C C 19 175.848 175.848 175.582 0.266 17629 6222 1 19 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.150 2.300 17629 6223 1 19 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.897 -1.238 17629 6224 1 19 . 1 1 19 19 ASP H H 19 8.753 8.753 8.431 0.322 17629 6225 1 19 . 1 1 20 20 ASN N N 20 115.197 115.197 118.871 -3.674 17629 6226 1 19 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.134 -0.369 17629 6227 1 19 . 1 1 20 20 ASN C C 20 174.017 174.017 173.554 0.463 17629 6228 1 19 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.195 -5.777 17629 6229 1 19 . 1 1 20 20 ASN H H 20 8.124 8.124 9.216 -1.092 17629 6230 1 19 . 1 1 21 21 GLU N N 21 119.591 119.591 122.778 -3.187 17629 6231 1 19 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.672 0.177 17629 6232 1 19 . 1 1 21 21 GLU C C 21 174.638 174.638 174.616 0.022 17629 6233 1 19 . 1 1 21 21 GLU CA C 21 54.545 54.545 54.941 -0.396 17629 6234 1 19 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.585 0.123 17629 6235 1 19 . 1 1 21 21 GLU H H 21 7.453 7.453 8.314 -0.861 17629 6236 1 19 . 1 1 22 22 LEU N N 22 126.694 126.694 126.502 0.192 17629 6237 1 19 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.870 0.485 17629 6238 1 19 . 1 1 22 22 LEU C C 22 173.258 173.258 178.007 -4.749 17629 6239 1 19 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.475 -3.027 17629 6240 1 19 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.549 2.801 17629 6241 1 19 . 1 1 22 22 LEU H H 22 8.765 8.765 8.795 -0.030 17629 6242 1 19 . 1 1 23 23 ARG N N 23 123.640 123.640 127.852 -4.212 17629 6243 1 19 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.844 0.332 17629 6244 1 19 . 1 1 23 23 ARG C C 23 176.038 176.038 175.602 0.436 17629 6245 1 19 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.736 1.383 17629 6246 1 19 . 1 1 23 23 ARG H H 23 8.023 8.023 8.901 -0.878 17629 6247 1 19 . 1 1 24 24 LEU N N 24 122.047 122.047 122.427 -0.380 17629 6248 1 19 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.524 0.402 17629 6249 1 19 . 1 1 24 24 LEU C C 24 176.320 176.320 175.940 0.380 17629 6250 1 19 . 1 1 24 24 LEU CA C 24 53.589 53.589 54.836 -1.247 17629 6251 1 19 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.099 2.742 17629 6252 1 19 . 1 1 24 24 LEU H H 24 8.686 8.686 8.306 0.380 17629 6253 1 19 . 1 1 25 25 ALA N N 25 127.826 127.826 124.036 3.790 17629 6254 1 19 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.724 0.326 17629 6255 1 19 . 1 1 25 25 ALA C C 25 176.497 176.497 176.249 0.248 17629 6256 1 19 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.478 -0.742 17629 6257 1 19 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.816 0.951 17629 6258 1 19 . 1 1 25 25 ALA H H 25 8.747 8.747 8.239 0.508 17629 6259 1 19 . 1 1 26 26 GLU N N 26 121.396 121.396 116.463 4.933 17629 6260 1 19 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.912 -1.721 17629 6261 1 19 . 1 1 26 26 GLU C C 26 177.095 177.095 174.229 2.866 17629 6262 1 19 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.058 5.397 17629 6263 1 19 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.109 -3.669 17629 6264 1 19 . 1 1 26 26 GLU H H 26 8.756 8.756 8.747 0.009 17629 6265 1 19 . 1 1 27 27 GLY N N 27 115.237 115.237 108.321 6.916 17629 6266 1 19 . 1 1 27 27 GLY C C 27 174.571 174.571 174.817 -0.246 17629 6267 1 19 . 1 1 27 27 GLY CA C 27 44.776 44.776 43.020 1.756 17629 6268 1 19 . 1 1 27 27 GLY H H 27 8.878 8.878 8.498 0.380 17629 6269 1 19 . 1 1 28 28 ASP N N 28 122.805 122.805 126.037 -3.232 17629 6270 1 19 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.627 -0.145 17629 6271 1 19 . 1 1 28 28 ASP C C 28 174.781 174.781 176.791 -2.010 17629 6272 1 19 . 1 1 28 28 ASP CA C 28 55.493 55.493 53.032 2.461 17629 6273 1 19 . 1 1 28 28 ASP CB C 28 41.734 41.734 38.024 3.710 17629 6274 1 19 . 1 1 28 28 ASP H H 28 8.655 8.655 8.939 -0.284 17629 6275 1 19 . 1 1 29 29 ILE N N 29 120.912 120.912 128.944 -8.032 17629 6276 1 19 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.038 0.871 17629 6277 1 19 . 1 1 29 29 ILE C C 29 176.392 176.392 175.302 1.090 17629 6278 1 19 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.411 -6.476 17629 6279 1 19 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.175 -1.565 17629 6280 1 19 . 1 1 29 29 ILE H H 29 8.484 8.484 8.604 -0.120 17629 6281 1 19 . 1 1 30 30 VAL N N 30 118.766 118.766 114.231 4.535 17629 6282 1 19 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.333 0.511 17629 6283 1 19 . 1 1 30 30 VAL C C 30 173.455 173.455 173.308 0.147 17629 6284 1 19 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.756 -2.621 17629 6285 1 19 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.874 2.596 17629 6286 1 19 . 1 1 30 30 VAL H H 30 8.840 8.840 7.387 1.453 17629 6287 1 19 . 1 1 31 31 PHE N N 31 118.993 118.993 123.261 -4.268 17629 6288 1 19 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.527 0.439 17629 6289 1 19 . 1 1 31 31 PHE C C 31 175.600 175.600 174.308 1.292 17629 6290 1 19 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.281 -1.584 17629 6291 1 19 . 1 1 31 31 PHE CB C 31 41.170 41.170 40.071 1.099 17629 6292 1 19 . 1 1 31 31 PHE H H 31 8.961 8.961 8.848 0.113 17629 6293 1 19 . 1 1 32 32 ILE N N 32 124.714 124.714 126.663 -1.949 17629 6294 1 19 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.524 -0.154 17629 6295 1 19 . 1 1 32 32 ILE C C 32 175.776 175.776 176.353 -0.577 17629 6296 1 19 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.650 -2.101 17629 6297 1 19 . 1 1 32 32 ILE CB C 32 36.035 36.035 42.293 -6.258 17629 6298 1 19 . 1 1 32 32 ILE H H 32 9.043 9.043 8.237 0.806 17629 6299 1 19 . 1 1 33 33 SER N N 33 124.251 124.251 115.238 9.013 17629 6300 1 19 . 1 1 33 33 SER HA H 33 4.630 4.630 4.153 0.477 17629 6301 1 19 . 1 1 33 33 SER C C 33 175.353 175.353 174.414 0.939 17629 6302 1 19 . 1 1 33 33 SER CA C 33 59.396 59.396 58.356 1.040 17629 6303 1 19 . 1 1 33 33 SER H H 33 9.128 9.128 8.109 1.019 17629 6304 1 19 . 1 1 34 34 TYR N N 34 114.956 114.956 116.679 -1.723 17629 6305 1 19 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.233 0.615 17629 6306 1 19 . 1 1 34 34 TYR C C 34 172.582 172.582 175.707 -3.125 17629 6307 1 19 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.054 -1.932 17629 6308 1 19 . 1 1 34 34 TYR CB C 34 40.260 40.260 37.040 3.220 17629 6309 1 19 . 1 1 34 34 TYR H H 34 7.457 7.457 8.742 -1.285 17629 6310 1 19 . 1 1 35 35 LYS N N 35 122.237 122.237 115.349 6.888 17629 6311 1 19 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.676 0.923 17629 6312 1 19 . 1 1 35 35 LYS C C 35 175.174 175.174 174.680 0.494 17629 6313 1 19 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.126 -0.379 17629 6314 1 19 . 1 1 35 35 LYS H H 35 8.697 8.697 8.506 0.191 17629 6315 1 19 . 1 1 36 36 HIS N N 36 127.413 127.413 117.344 10.069 17629 6316 1 19 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.811 -0.159 17629 6317 1 19 . 1 1 36 36 HIS C C 36 175.918 175.918 173.805 2.113 17629 6318 1 19 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.667 3.667 17629 6319 1 19 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.926 0.856 17629 6320 1 19 . 1 1 36 36 HIS H H 36 8.122 8.122 7.698 0.424 17629 6321 1 19 . 1 1 37 37 GLY N N 37 105.500 105.500 109.016 -3.516 17629 6322 1 19 . 1 1 37 37 GLY C C 37 174.073 174.073 174.261 -0.188 17629 6323 1 19 . 1 1 37 37 GLY CA C 37 43.784 43.784 43.968 -0.184 17629 6324 1 19 . 1 1 37 37 GLY H H 37 8.000 8.000 9.298 -1.298 17629 6325 1 19 . 1 1 38 38 GLN N N 38 114.228 114.228 123.356 -9.128 17629 6326 1 19 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.728 -0.637 17629 6327 1 19 . 1 1 38 38 GLN C C 38 175.546 175.546 174.836 0.710 17629 6328 1 19 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.598 1.340 17629 6329 1 19 . 1 1 38 38 GLN CB C 38 27.560 27.560 26.723 0.837 17629 6330 1 19 . 1 1 38 38 GLN H H 38 9.025 9.025 7.843 1.182 17629 6331 1 19 . 1 1 39 39 GLY N N 39 104.000 104.000 116.238 -12.238 17629 6332 1 19 . 1 1 39 39 GLY C C 39 174.892 174.892 172.690 2.202 17629 6333 1 19 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.959 2.651 17629 6334 1 19 . 1 1 39 39 GLY H H 39 8.664 8.664 8.971 -0.307 17629 6335 1 19 . 1 1 40 40 TRP N N 40 120.355 120.355 120.118 0.237 17629 6336 1 19 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.486 -0.235 17629 6337 1 19 . 1 1 40 40 TRP C C 40 175.702 175.702 176.168 -0.466 17629 6338 1 19 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.720 1.879 17629 6339 1 19 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.057 0.301 17629 6340 1 19 . 1 1 40 40 TRP H H 40 7.938 7.938 8.235 -0.297 17629 6341 1 19 . 1 1 41 41 LEU N N 41 121.736 121.736 122.245 -0.509 17629 6342 1 19 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.103 0.864 17629 6343 1 19 . 1 1 41 41 LEU C C 41 174.893 174.893 177.646 -2.753 17629 6344 1 19 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.689 -1.750 17629 6345 1 19 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.227 1.429 17629 6346 1 19 . 1 1 41 41 LEU H H 41 9.626 9.626 8.651 0.975 17629 6347 1 19 . 1 1 42 42 VAL N N 42 120.248 120.248 118.167 2.081 17629 6348 1 19 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.783 0.325 17629 6349 1 19 . 1 1 42 42 VAL C C 42 173.905 173.905 177.534 -3.629 17629 6350 1 19 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.710 -1.411 17629 6351 1 19 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.772 -0.010 17629 6352 1 19 . 1 1 42 42 VAL H H 42 8.593 8.593 8.616 -0.023 17629 6353 1 19 . 1 1 43 43 ALA N N 43 130.238 130.238 120.072 10.166 17629 6354 1 19 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.114 1.375 17629 6355 1 19 . 1 1 43 43 ALA C C 43 174.736 174.736 178.205 -3.469 17629 6356 1 19 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.658 -3.960 17629 6357 1 19 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.310 5.816 17629 6358 1 19 . 1 1 43 43 ALA H H 43 9.080 9.080 8.018 1.062 17629 6359 1 19 . 1 1 44 44 GLU N N 44 118.066 118.066 118.184 -0.118 17629 6360 1 19 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.157 1.213 17629 6361 1 19 . 1 1 44 44 GLU C C 44 176.343 176.343 176.130 0.213 17629 6362 1 19 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.385 -3.471 17629 6363 1 19 . 1 1 44 44 GLU H H 44 9.055 9.055 7.792 1.263 17629 6364 1 19 . 1 1 45 45 ASN N N 45 118.721 118.721 117.346 1.375 17629 6365 1 19 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.755 0.065 17629 6366 1 19 . 1 1 45 45 ASN C C 45 175.581 175.581 174.509 1.072 17629 6367 1 19 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.413 -1.412 17629 6368 1 19 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.189 -1.422 17629 6369 1 19 . 1 1 45 45 ASN H H 45 8.342 8.342 8.079 0.263 17629 6370 1 19 . 1 1 46 46 GLU N N 46 120.491 120.491 122.961 -2.470 17629 6371 1 19 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.534 -0.584 17629 6372 1 19 . 1 1 46 46 GLU C C 46 177.658 177.658 174.895 2.763 17629 6373 1 19 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.713 4.425 17629 6374 1 19 . 1 1 46 46 GLU CB C 46 29.508 29.508 30.920 -1.412 17629 6375 1 19 . 1 1 46 46 GLU H H 46 8.521 8.521 7.877 0.644 17629 6376 1 19 . 1 1 47 47 SER N N 47 109.172 109.172 122.461 -13.289 17629 6377 1 19 . 1 1 47 47 SER HA H 47 4.376 4.376 5.083 -0.707 17629 6378 1 19 . 1 1 47 47 SER C C 47 175.760 175.760 173.732 2.028 17629 6379 1 19 . 1 1 47 47 SER CA C 47 58.349 58.349 56.982 1.367 17629 6380 1 19 . 1 1 47 47 SER CB C 47 63.906 63.906 66.565 -2.659 17629 6381 1 19 . 1 1 47 47 SER H H 47 8.029 8.029 8.564 -0.535 17629 6382 1 19 . 1 1 48 48 GLY N N 48 112.365 112.365 109.693 2.672 17629 6383 1 19 . 1 1 48 48 GLY C C 48 174.289 174.289 171.827 2.462 17629 6384 1 19 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.494 0.452 17629 6385 1 19 . 1 1 48 48 GLY H H 48 8.002 8.002 8.866 -0.864 17629 6386 1 19 . 1 1 49 49 SER N N 49 116.280 116.280 115.515 0.765 17629 6387 1 19 . 1 1 49 49 SER HA H 49 4.387 4.387 5.073 -0.686 17629 6388 1 19 . 1 1 49 49 SER C C 49 174.474 174.474 174.527 -0.053 17629 6389 1 19 . 1 1 49 49 SER CA C 49 58.778 58.778 57.667 1.111 17629 6390 1 19 . 1 1 49 49 SER CB C 49 64.138 64.138 64.749 -0.611 17629 6391 1 19 . 1 1 49 49 SER H H 49 8.529 8.529 8.086 0.443 17629 6392 1 19 . 1 1 50 50 LYS N N 50 122.336 122.336 116.530 5.806 17629 6393 1 19 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.235 -0.558 17629 6394 1 19 . 1 1 50 50 LYS C C 50 173.788 173.788 173.994 -0.206 17629 6395 1 19 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.078 3.843 17629 6396 1 19 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.528 1.134 17629 6397 1 19 . 1 1 50 50 LYS H H 50 7.879 7.879 9.423 -1.544 17629 6398 1 19 . 1 1 51 51 THR HA H 51 5.465 5.465 4.056 1.409 17629 6399 1 19 . 1 1 51 51 THR C C 51 173.478 173.478 174.079 -0.601 17629 6400 1 19 . 1 1 51 51 THR CA C 51 59.703 59.703 61.499 -1.796 17629 6401 1 19 . 1 1 51 51 THR CB C 51 71.505 71.505 69.060 2.445 17629 6402 1 19 . 1 1 52 52 GLY N N 52 110.609 110.609 111.122 -0.513 17629 6403 1 19 . 1 1 52 52 GLY C C 52 170.386 170.386 175.954 -5.568 17629 6404 1 19 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.946 -1.569 17629 6405 1 19 . 1 1 52 52 GLY H H 52 9.039 9.039 8.529 0.510 17629 6406 1 19 . 1 1 53 53 LEU N N 53 120.239 120.239 119.235 1.004 17629 6407 1 19 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.300 0.899 17629 6408 1 19 . 1 1 53 53 LEU C C 53 177.929 177.929 176.772 1.157 17629 6409 1 19 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.053 -1.435 17629 6410 1 19 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.148 2.896 17629 6411 1 19 . 1 1 53 53 LEU H H 53 9.169 9.169 8.414 0.755 17629 6412 1 19 . 1 1 54 54 VAL N N 54 111.925 111.925 116.786 -4.861 17629 6413 1 19 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.454 0.386 17629 6414 1 19 . 1 1 54 54 VAL C C 54 172.319 172.319 174.714 -2.395 17629 6415 1 19 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.690 -3.500 17629 6416 1 19 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.270 0.932 17629 6417 1 19 . 1 1 54 54 VAL H H 54 9.191 9.191 7.638 1.553 17629 6418 1 19 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.448 -1.335 17629 6419 1 19 . 1 1 55 55 PRO C C 55 178.107 178.107 176.139 1.968 17629 6420 1 19 . 1 1 55 55 PRO CA C 55 61.036 61.036 59.107 1.929 17629 6421 1 19 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.129 -3.699 17629 6422 1 19 . 1 1 56 56 GLU N N 56 126.923 126.923 120.523 6.400 17629 6423 1 19 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.576 -0.820 17629 6424 1 19 . 1 1 56 56 GLU C C 56 177.586 177.586 175.988 1.598 17629 6425 1 19 . 1 1 56 56 GLU CA C 56 59.052 59.052 55.083 3.969 17629 6426 1 19 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.224 -1.011 17629 6427 1 19 . 1 1 56 56 GLU H H 56 8.503 8.503 8.674 -0.171 17629 6428 1 19 . 1 1 57 57 GLU N N 57 113.138 113.138 127.638 -14.500 17629 6429 1 19 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.319 0.016 17629 6430 1 19 . 1 1 57 57 GLU C C 57 175.950 175.950 177.105 -1.155 17629 6431 1 19 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.175 -0.541 17629 6432 1 19 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.449 0.366 17629 6433 1 19 . 1 1 57 57 GLU H H 57 8.743 8.743 8.948 -0.205 17629 6434 1 19 . 1 1 58 58 PHE N N 58 116.994 116.994 124.282 -7.288 17629 6435 1 19 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.667 0.120 17629 6436 1 19 . 1 1 58 58 PHE C C 58 174.773 174.773 174.786 -0.013 17629 6437 1 19 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.321 -1.650 17629 6438 1 19 . 1 1 58 58 PHE H H 58 8.002 8.002 7.957 0.045 17629 6439 1 19 . 1 1 59 59 VAL N N 59 110.037 110.037 122.905 -12.868 17629 6440 1 19 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.490 0.920 17629 6441 1 19 . 1 1 59 59 VAL C C 59 173.781 173.781 174.233 -0.452 17629 6442 1 19 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.788 -1.866 17629 6443 1 19 . 1 1 59 59 VAL CB C 59 35.172 35.172 34.291 0.881 17629 6444 1 19 . 1 1 59 59 VAL H H 59 7.328 7.328 8.295 -0.967 17629 6445 1 19 . 1 1 60 60 SER HA H 60 4.711 4.711 4.459 0.252 17629 6446 1 19 . 1 1 60 60 SER C C 60 174.901 174.901 174.084 0.817 17629 6447 1 19 . 1 1 60 60 SER CA C 60 55.416 55.416 59.321 -3.905 17629 6448 1 19 . 1 1 60 60 SER CB C 60 64.846 64.846 63.776 1.070 17629 6449 1 19 . 1 1 61 61 TYR N N 61 126.709 126.709 117.266 9.443 17629 6450 1 19 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.681 -0.107 17629 6451 1 19 . 1 1 61 61 TYR C C 61 176.232 176.232 174.421 1.811 17629 6452 1 19 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.083 1.157 17629 6453 1 19 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.652 -0.666 17629 6454 1 19 . 1 1 61 61 TYR H H 61 8.560 8.560 8.293 0.267 17629 6455 1 19 . 1 1 62 62 ILE N N 62 122.059 122.059 115.591 6.468 17629 6456 1 19 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.935 -0.692 17629 6457 1 19 . 1 1 62 62 ILE C C 62 175.812 175.812 174.699 1.113 17629 6458 1 19 . 1 1 62 62 ILE CA C 62 60.630 60.630 59.979 0.651 17629 6459 1 19 . 1 1 62 62 ILE CB C 62 39.160 39.160 40.997 -1.837 17629 6460 1 19 . 1 1 62 62 ILE H H 62 8.303 8.303 7.765 0.538 17629 6461 1 20 . 1 1 2 2 LYS N N 2 125.410 125.410 124.014 1.396 17629 6462 1 20 . 1 1 2 2 LYS HA H 2 4.118 4.118 4.599 -0.481 17629 6463 1 20 . 1 1 2 2 LYS C C 2 176.439 176.439 176.113 0.326 17629 6464 1 20 . 1 1 2 2 LYS CA C 2 51.573 51.573 50.927 0.646 17629 6465 1 20 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.912 -0.712 17629 6466 1 20 . 1 1 2 2 LYS H H 2 8.079 8.079 7.797 0.282 17629 6467 1 20 . 1 1 3 3 PHE N N 3 123.092 123.092 125.089 -1.997 17629 6468 1 20 . 1 1 3 3 PHE HA H 3 4.421 4.421 5.125 -0.704 17629 6469 1 20 . 1 1 3 3 PHE C C 3 175.856 175.856 174.834 1.022 17629 6470 1 20 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.830 0.835 17629 6471 1 20 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.483 -0.872 17629 6472 1 20 . 1 1 3 3 PHE H H 3 8.251 8.251 8.817 -0.566 17629 6473 1 20 . 1 1 4 4 ILE N N 4 125.149 125.149 118.683 6.466 17629 6474 1 20 . 1 1 4 4 ILE HA H 4 4.215 4.215 4.638 -0.423 17629 6475 1 20 . 1 1 4 4 ILE C C 4 175.190 175.190 172.808 2.382 17629 6476 1 20 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.529 1.250 17629 6477 1 20 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.679 -2.147 17629 6478 1 20 . 1 1 4 4 ILE H H 4 7.775 7.775 8.854 -1.079 17629 6479 1 20 . 1 1 5 5 PRO N N 5 121.258 121.258 118.843 2.415 17629 6480 1 20 . 1 1 5 5 PRO HA H 5 3.759 3.759 4.995 -1.236 17629 6481 1 20 . 1 1 5 5 PRO C C 5 174.455 174.455 173.431 1.024 17629 6482 1 20 . 1 1 5 5 PRO CA C 5 53.340 53.340 50.212 3.128 17629 6483 1 20 . 1 1 5 5 PRO CB C 5 37.870 37.870 43.140 -5.270 17629 6484 1 20 . 1 1 5 5 PRO H H 5 8.238 8.238 8.447 -0.209 17629 6485 1 20 . 1 1 6 6 SER N N 6 118.930 118.930 125.894 -6.964 17629 6486 1 20 . 1 1 6 6 SER HA H 6 4.439 4.439 4.805 -0.366 17629 6487 1 20 . 1 1 6 6 SER C C 6 174.756 174.756 175.981 -1.225 17629 6488 1 20 . 1 1 6 6 SER CA C 6 55.269 55.269 54.632 0.637 17629 6489 1 20 . 1 1 6 6 SER CB C 6 31.970 31.970 28.574 3.396 17629 6490 1 20 . 1 1 6 6 SER H H 6 9.042 9.042 8.677 0.365 17629 6491 1 20 . 1 1 7 7 ARG N N 7 124.908 124.908 126.320 -1.412 17629 6492 1 20 . 1 1 7 7 ARG HA H 7 4.998 4.998 3.920 1.078 17629 6493 1 20 . 1 1 7 7 ARG C C 7 175.313 175.313 175.706 -0.393 17629 6494 1 20 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.922 -1.452 17629 6495 1 20 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.051 2.489 17629 6496 1 20 . 1 1 7 7 ARG H H 7 7.601 7.601 8.666 -1.065 17629 6497 1 20 . 1 1 8 8 ALA N N 8 126.210 126.210 116.584 9.626 17629 6498 1 20 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.279 0.711 17629 6499 1 20 . 1 1 8 8 ALA C C 8 173.314 173.314 176.014 -2.700 17629 6500 1 20 . 1 1 8 8 ALA CA C 8 50.770 50.770 48.813 1.956 17629 6501 1 20 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.205 2.010 17629 6502 1 20 . 1 1 8 8 ALA H H 8 9.198 9.198 7.195 2.003 17629 6503 1 20 . 1 1 9 9 ALA N N 9 117.480 117.480 119.784 -2.304 17629 6504 1 20 . 1 1 9 9 ALA HA H 9 3.604 3.604 4.353 -0.749 17629 6505 1 20 . 1 1 9 9 ALA C C 9 174.805 174.805 174.825 -0.020 17629 6506 1 20 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.773 -4.948 17629 6507 1 20 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.135 3.022 17629 6508 1 20 . 1 1 9 9 ALA H H 9 8.571 8.571 8.059 0.512 17629 6509 1 20 . 1 1 10 10 PRO N N 10 127.491 127.491 125.656 1.835 17629 6510 1 20 . 1 1 10 10 PRO HA H 10 4.469 4.469 4.906 -0.437 17629 6511 1 20 . 1 1 10 10 PRO C C 10 178.703 178.703 175.140 3.563 17629 6512 1 20 . 1 1 10 10 PRO CA C 10 51.821 51.821 50.901 0.920 17629 6513 1 20 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.459 -3.261 17629 6514 1 20 . 1 1 10 10 PRO H H 10 9.208 9.208 8.583 0.625 17629 6515 1 20 . 1 1 11 11 LYS N N 11 127.224 127.224 125.558 1.666 17629 6516 1 20 . 1 1 11 11 LYS HA H 11 4.547 4.547 4.450 0.097 17629 6517 1 20 . 1 1 11 11 LYS C C 11 175.084 175.084 173.812 1.272 17629 6518 1 20 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.601 5.744 17629 6519 1 20 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.697 -0.260 17629 6520 1 20 . 1 1 11 11 LYS H H 11 8.270 8.270 7.943 0.327 17629 6521 1 20 . 1 1 12 12 PRO HA H 12 3.755 3.755 4.709 -0.954 17629 6522 1 20 . 1 1 12 12 PRO C C 12 173.503 173.503 174.430 -0.927 17629 6523 1 20 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.734 3.053 17629 6524 1 20 . 1 1 13 13 PRO N N 13 117.819 117.819 120.819 -3.000 17629 6525 1 20 . 1 1 13 13 PRO HA H 13 4.318 4.318 4.550 -0.232 17629 6526 1 20 . 1 1 13 13 PRO C C 13 175.940 175.940 175.729 0.211 17629 6527 1 20 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.132 1.437 17629 6528 1 20 . 1 1 13 13 PRO CB C 13 41.489 41.489 42.158 -0.669 17629 6529 1 20 . 1 1 13 13 PRO H H 13 8.361 8.361 9.189 -0.828 17629 6530 1 20 . 1 1 14 14 SER N N 14 122.300 122.300 119.316 2.984 17629 6531 1 20 . 1 1 14 14 SER HA H 14 4.361 4.361 4.644 -0.283 17629 6532 1 20 . 1 1 14 14 SER C C 14 172.522 172.522 175.044 -2.522 17629 6533 1 20 . 1 1 14 14 SER CA C 14 56.389 56.389 57.414 -1.025 17629 6534 1 20 . 1 1 14 14 SER CB C 14 42.864 42.864 41.005 1.859 17629 6535 1 20 . 1 1 14 14 SER H H 14 8.138 8.138 7.659 0.479 17629 6536 1 20 . 1 1 15 15 GLU N N 15 128.991 128.991 117.662 11.329 17629 6537 1 20 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.321 0.366 17629 6538 1 20 . 1 1 15 15 GLU C C 15 172.941 172.941 175.400 -2.459 17629 6539 1 20 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.162 -5.747 17629 6540 1 20 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.101 1.089 17629 6541 1 20 . 1 1 15 15 GLU H H 15 8.234 8.234 8.596 -0.362 17629 6542 1 20 . 1 1 16 16 ALA HA H 16 4.301 4.301 4.359 -0.058 17629 6543 1 20 . 1 1 16 16 ALA C C 16 177.175 177.175 176.060 1.115 17629 6544 1 20 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.566 0.034 17629 6545 1 20 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.755 1.730 17629 6546 1 20 . 1 1 16 16 ALA H H 16 8.263 8.263 7.829 0.434 17629 6547 1 20 . 1 1 17 17 GLU N N 17 119.882 119.882 119.756 0.126 17629 6548 1 20 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.692 -0.313 17629 6549 1 20 . 1 1 17 17 GLU C C 17 175.065 175.065 175.258 -0.193 17629 6550 1 20 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.605 -0.024 17629 6551 1 20 . 1 1 17 17 GLU CB C 17 31.777 31.777 31.904 -0.126 17629 6552 1 20 . 1 1 17 17 GLU H H 17 8.952 8.952 7.528 1.424 17629 6553 1 20 . 1 1 18 18 ASN N N 18 114.565 114.565 119.632 -5.067 17629 6554 1 20 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.153 -0.283 17629 6555 1 20 . 1 1 18 18 ASN C C 18 175.256 175.256 174.390 0.866 17629 6556 1 20 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.481 0.469 17629 6557 1 20 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.840 1.606 17629 6558 1 20 . 1 1 18 18 ASN H H 18 7.177 7.177 8.953 -1.776 17629 6559 1 20 . 1 1 19 19 ASP N N 19 120.622 120.622 121.930 -1.308 17629 6560 1 20 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.968 -0.456 17629 6561 1 20 . 1 1 19 19 ASP C C 19 175.848 175.848 175.680 0.168 17629 6562 1 20 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.104 2.346 17629 6563 1 20 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.770 -1.111 17629 6564 1 20 . 1 1 19 19 ASP H H 19 8.753 8.753 8.420 0.333 17629 6565 1 20 . 1 1 20 20 ASN N N 20 115.197 115.197 118.718 -3.521 17629 6566 1 20 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.117 -0.352 17629 6567 1 20 . 1 1 20 20 ASN C C 20 174.017 174.017 173.527 0.490 17629 6568 1 20 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.226 -5.808 17629 6569 1 20 . 1 1 20 20 ASN H H 20 8.124 8.124 9.155 -1.031 17629 6570 1 20 . 1 1 21 21 GLU N N 21 119.591 119.591 123.009 -3.418 17629 6571 1 20 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.679 0.170 17629 6572 1 20 . 1 1 21 21 GLU C C 21 174.638 174.638 174.697 -0.059 17629 6573 1 20 . 1 1 21 21 GLU CA C 21 54.545 54.545 54.895 -0.350 17629 6574 1 20 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.581 0.127 17629 6575 1 20 . 1 1 21 21 GLU H H 21 7.453 7.453 8.317 -0.864 17629 6576 1 20 . 1 1 22 22 LEU N N 22 126.694 126.694 126.633 0.061 17629 6577 1 20 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.887 0.468 17629 6578 1 20 . 1 1 22 22 LEU C C 22 173.258 173.258 178.023 -4.765 17629 6579 1 20 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.494 -3.046 17629 6580 1 20 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.547 2.803 17629 6581 1 20 . 1 1 22 22 LEU H H 22 8.765 8.765 8.844 -0.079 17629 6582 1 20 . 1 1 23 23 ARG N N 23 123.640 123.640 128.004 -4.364 17629 6583 1 20 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.849 0.327 17629 6584 1 20 . 1 1 23 23 ARG C C 23 176.038 176.038 175.728 0.310 17629 6585 1 20 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.720 1.399 17629 6586 1 20 . 1 1 23 23 ARG H H 23 8.023 8.023 8.972 -0.949 17629 6587 1 20 . 1 1 24 24 LEU N N 24 122.047 122.047 122.249 -0.202 17629 6588 1 20 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.427 0.499 17629 6589 1 20 . 1 1 24 24 LEU C C 24 176.320 176.320 175.848 0.472 17629 6590 1 20 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.276 -1.687 17629 6591 1 20 . 1 1 24 24 LEU CB C 24 45.841 45.841 42.908 2.933 17629 6592 1 20 . 1 1 24 24 LEU H H 24 8.686 8.686 8.068 0.618 17629 6593 1 20 . 1 1 25 25 ALA N N 25 127.826 127.826 123.139 4.687 17629 6594 1 20 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.668 0.382 17629 6595 1 20 . 1 1 25 25 ALA C C 25 176.497 176.497 176.695 -0.198 17629 6596 1 20 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.743 -1.007 17629 6597 1 20 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.414 1.353 17629 6598 1 20 . 1 1 25 25 ALA H H 25 8.747 8.747 8.440 0.307 17629 6599 1 20 . 1 1 26 26 GLU N N 26 121.396 121.396 117.196 4.200 17629 6600 1 20 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.931 -1.740 17629 6601 1 20 . 1 1 26 26 GLU C C 26 177.095 177.095 174.248 2.847 17629 6602 1 20 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.416 5.039 17629 6603 1 20 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.578 -4.138 17629 6604 1 20 . 1 1 26 26 GLU H H 26 8.756 8.756 8.777 -0.021 17629 6605 1 20 . 1 1 27 27 GLY N N 27 115.237 115.237 108.791 6.446 17629 6606 1 20 . 1 1 27 27 GLY C C 27 174.571 174.571 174.733 -0.162 17629 6607 1 20 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.830 1.946 17629 6608 1 20 . 1 1 27 27 GLY H H 27 8.878 8.878 8.468 0.410 17629 6609 1 20 . 1 1 28 28 ASP N N 28 122.805 122.805 126.157 -3.352 17629 6610 1 20 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.655 -0.173 17629 6611 1 20 . 1 1 28 28 ASP C C 28 174.781 174.781 176.993 -2.212 17629 6612 1 20 . 1 1 28 28 ASP CA C 28 55.493 55.493 53.138 2.356 17629 6613 1 20 . 1 1 28 28 ASP CB C 28 41.734 41.734 38.020 3.714 17629 6614 1 20 . 1 1 28 28 ASP H H 28 8.655 8.655 8.966 -0.311 17629 6615 1 20 . 1 1 29 29 ILE N N 29 120.912 120.912 129.192 -8.280 17629 6616 1 20 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.068 0.841 17629 6617 1 20 . 1 1 29 29 ILE C C 29 176.392 176.392 175.336 1.056 17629 6618 1 20 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.218 -6.283 17629 6619 1 20 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.159 -1.549 17629 6620 1 20 . 1 1 29 29 ILE H H 29 8.484 8.484 8.662 -0.178 17629 6621 1 20 . 1 1 30 30 VAL N N 30 118.766 118.766 113.233 5.533 17629 6622 1 20 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.335 0.509 17629 6623 1 20 . 1 1 30 30 VAL C C 30 173.455 173.455 172.957 0.498 17629 6624 1 20 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.648 -2.513 17629 6625 1 20 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.487 2.983 17629 6626 1 20 . 1 1 30 30 VAL H H 30 8.840 8.840 7.453 1.387 17629 6627 1 20 . 1 1 31 31 PHE N N 31 118.993 118.993 122.813 -3.820 17629 6628 1 20 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.599 0.367 17629 6629 1 20 . 1 1 31 31 PHE C C 31 175.600 175.600 174.859 0.741 17629 6630 1 20 . 1 1 31 31 PHE CA C 31 56.697 56.697 57.805 -1.108 17629 6631 1 20 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.875 1.295 17629 6632 1 20 . 1 1 31 31 PHE H H 31 8.961 8.961 8.681 0.280 17629 6633 1 20 . 1 1 32 32 ILE N N 32 124.714 124.714 126.668 -1.954 17629 6634 1 20 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.495 -0.125 17629 6635 1 20 . 1 1 32 32 ILE C C 32 175.776 175.776 175.727 0.049 17629 6636 1 20 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.416 -1.867 17629 6637 1 20 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.630 -5.595 17629 6638 1 20 . 1 1 32 32 ILE H H 32 9.043 9.043 8.259 0.784 17629 6639 1 20 . 1 1 33 33 SER N N 33 124.251 124.251 115.282 8.969 17629 6640 1 20 . 1 1 33 33 SER HA H 33 4.630 4.630 4.140 0.490 17629 6641 1 20 . 1 1 33 33 SER C C 33 175.353 175.353 174.483 0.870 17629 6642 1 20 . 1 1 33 33 SER CA C 33 59.396 59.396 58.551 0.845 17629 6643 1 20 . 1 1 33 33 SER H H 33 9.128 9.128 8.035 1.093 17629 6644 1 20 . 1 1 34 34 TYR N N 34 114.956 114.956 116.820 -1.864 17629 6645 1 20 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.288 0.560 17629 6646 1 20 . 1 1 34 34 TYR C C 34 172.582 172.582 175.935 -3.353 17629 6647 1 20 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.060 -1.938 17629 6648 1 20 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.468 3.792 17629 6649 1 20 . 1 1 34 34 TYR H H 34 7.457 7.457 8.723 -1.266 17629 6650 1 20 . 1 1 35 35 LYS N N 35 122.237 122.237 115.210 7.027 17629 6651 1 20 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.640 0.959 17629 6652 1 20 . 1 1 35 35 LYS C C 35 175.174 175.174 174.660 0.514 17629 6653 1 20 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.246 -0.499 17629 6654 1 20 . 1 1 35 35 LYS H H 35 8.697 8.697 8.544 0.153 17629 6655 1 20 . 1 1 36 36 HIS N N 36 127.413 127.413 117.323 10.090 17629 6656 1 20 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.808 -0.156 17629 6657 1 20 . 1 1 36 36 HIS C C 36 175.918 175.918 173.802 2.116 17629 6658 1 20 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.613 3.721 17629 6659 1 20 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.972 0.810 17629 6660 1 20 . 1 1 36 36 HIS H H 36 8.122 8.122 7.709 0.413 17629 6661 1 20 . 1 1 37 37 GLY N N 37 105.500 105.500 108.847 -3.347 17629 6662 1 20 . 1 1 37 37 GLY C C 37 174.073 174.073 174.267 -0.194 17629 6663 1 20 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.059 -0.275 17629 6664 1 20 . 1 1 37 37 GLY H H 37 8.000 8.000 9.236 -1.236 17629 6665 1 20 . 1 1 38 38 GLN N N 38 114.228 114.228 123.842 -9.614 17629 6666 1 20 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.695 -0.604 17629 6667 1 20 . 1 1 38 38 GLN C C 38 175.546 175.546 174.731 0.815 17629 6668 1 20 . 1 1 38 38 GLN CA C 38 56.938 56.938 56.203 0.736 17629 6669 1 20 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.887 -0.327 17629 6670 1 20 . 1 1 38 38 GLN H H 38 9.025 9.025 7.836 1.189 17629 6671 1 20 . 1 1 39 39 GLY N N 39 104.000 104.000 115.832 -11.832 17629 6672 1 20 . 1 1 39 39 GLY C C 39 174.892 174.892 172.635 2.257 17629 6673 1 20 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.847 2.763 17629 6674 1 20 . 1 1 39 39 GLY H H 39 8.664 8.664 8.809 -0.145 17629 6675 1 20 . 1 1 40 40 TRP N N 40 120.355 120.355 120.808 -0.453 17629 6676 1 20 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.405 -0.154 17629 6677 1 20 . 1 1 40 40 TRP C C 40 175.702 175.702 176.114 -0.412 17629 6678 1 20 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.761 1.838 17629 6679 1 20 . 1 1 40 40 TRP CB C 40 33.358 33.358 32.888 0.470 17629 6680 1 20 . 1 1 40 40 TRP H H 40 7.938 7.938 8.255 -0.317 17629 6681 1 20 . 1 1 41 41 LEU N N 41 121.736 121.736 122.195 -0.459 17629 6682 1 20 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.132 0.835 17629 6683 1 20 . 1 1 41 41 LEU C C 41 174.893 174.893 177.647 -2.754 17629 6684 1 20 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.576 -1.637 17629 6685 1 20 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.352 1.304 17629 6686 1 20 . 1 1 41 41 LEU H H 41 9.626 9.626 8.425 1.201 17629 6687 1 20 . 1 1 42 42 VAL N N 42 120.248 120.248 118.393 1.855 17629 6688 1 20 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.795 0.313 17629 6689 1 20 . 1 1 42 42 VAL C C 42 173.905 173.905 177.418 -3.513 17629 6690 1 20 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.672 -1.373 17629 6691 1 20 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.802 -0.040 17629 6692 1 20 . 1 1 42 42 VAL H H 42 8.593 8.593 8.591 0.002 17629 6693 1 20 . 1 1 43 43 ALA N N 43 130.238 130.238 120.037 10.201 17629 6694 1 20 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.135 1.354 17629 6695 1 20 . 1 1 43 43 ALA C C 43 174.736 174.736 178.470 -3.734 17629 6696 1 20 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.838 -4.140 17629 6697 1 20 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.245 5.881 17629 6698 1 20 . 1 1 43 43 ALA H H 43 9.080 9.080 8.112 0.968 17629 6699 1 20 . 1 1 44 44 GLU N N 44 118.066 118.066 119.739 -1.673 17629 6700 1 20 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.195 1.175 17629 6701 1 20 . 1 1 44 44 GLU C C 44 176.343 176.343 175.820 0.523 17629 6702 1 20 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.134 -3.220 17629 6703 1 20 . 1 1 44 44 GLU H H 44 9.055 9.055 7.639 1.416 17629 6704 1 20 . 1 1 45 45 ASN N N 45 118.721 118.721 117.653 1.068 17629 6705 1 20 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.836 -0.016 17629 6706 1 20 . 1 1 45 45 ASN C C 45 175.581 175.581 174.741 0.840 17629 6707 1 20 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.016 -1.015 17629 6708 1 20 . 1 1 45 45 ASN CB C 45 37.767 37.767 38.985 -1.218 17629 6709 1 20 . 1 1 45 45 ASN H H 45 8.342 8.342 8.100 0.242 17629 6710 1 20 . 1 1 46 46 GLU N N 46 120.491 120.491 121.087 -0.596 17629 6711 1 20 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.615 -0.665 17629 6712 1 20 . 1 1 46 46 GLU C C 46 177.658 177.658 174.755 2.903 17629 6713 1 20 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.727 4.411 17629 6714 1 20 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.893 -2.385 17629 6715 1 20 . 1 1 46 46 GLU H H 46 8.521 8.521 7.848 0.673 17629 6716 1 20 . 1 1 47 47 SER N N 47 109.172 109.172 120.414 -11.242 17629 6717 1 20 . 1 1 47 47 SER HA H 47 4.376 4.376 5.037 -0.661 17629 6718 1 20 . 1 1 47 47 SER C C 47 175.760 175.760 173.687 2.073 17629 6719 1 20 . 1 1 47 47 SER CA C 47 58.349 58.349 57.145 1.204 17629 6720 1 20 . 1 1 47 47 SER CB C 47 63.906 63.906 66.546 -2.639 17629 6721 1 20 . 1 1 47 47 SER H H 47 8.029 8.029 8.581 -0.552 17629 6722 1 20 . 1 1 48 48 GLY N N 48 112.365 112.365 111.735 0.630 17629 6723 1 20 . 1 1 48 48 GLY C C 48 174.289 174.289 171.873 2.416 17629 6724 1 20 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.017 0.929 17629 6725 1 20 . 1 1 48 48 GLY H H 48 8.002 8.002 8.954 -0.952 17629 6726 1 20 . 1 1 49 49 SER N N 49 116.280 116.280 115.215 1.065 17629 6727 1 20 . 1 1 49 49 SER HA H 49 4.387 4.387 5.045 -0.658 17629 6728 1 20 . 1 1 49 49 SER C C 49 174.474 174.474 174.212 0.262 17629 6729 1 20 . 1 1 49 49 SER CA C 49 58.778 58.778 57.656 1.122 17629 6730 1 20 . 1 1 49 49 SER CB C 49 64.138 64.138 64.647 -0.509 17629 6731 1 20 . 1 1 49 49 SER H H 49 8.529 8.529 8.122 0.407 17629 6732 1 20 . 1 1 50 50 LYS N N 50 122.336 122.336 118.215 4.121 17629 6733 1 20 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.131 -0.454 17629 6734 1 20 . 1 1 50 50 LYS C C 50 173.788 173.788 173.944 -0.156 17629 6735 1 20 . 1 1 50 50 LYS CA C 50 55.921 55.921 51.733 4.188 17629 6736 1 20 . 1 1 50 50 LYS CB C 50 36.662 36.662 34.908 1.754 17629 6737 1 20 . 1 1 50 50 LYS H H 50 7.879 7.879 9.286 -1.407 17629 6738 1 20 . 1 1 51 51 THR HA H 51 5.465 5.465 4.050 1.415 17629 6739 1 20 . 1 1 51 51 THR C C 51 173.478 173.478 174.145 -0.667 17629 6740 1 20 . 1 1 51 51 THR CA C 51 59.703 59.703 61.339 -1.636 17629 6741 1 20 . 1 1 51 51 THR CB C 51 71.505 71.505 69.147 2.358 17629 6742 1 20 . 1 1 52 52 GLY N N 52 110.609 110.609 111.194 -0.585 17629 6743 1 20 . 1 1 52 52 GLY C C 52 170.386 170.386 175.927 -5.541 17629 6744 1 20 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.978 -1.601 17629 6745 1 20 . 1 1 52 52 GLY H H 52 9.039 9.039 8.518 0.521 17629 6746 1 20 . 1 1 53 53 LEU N N 53 120.239 120.239 119.728 0.511 17629 6747 1 20 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.287 0.912 17629 6748 1 20 . 1 1 53 53 LEU C C 53 177.929 177.929 176.159 1.770 17629 6749 1 20 . 1 1 53 53 LEU CA C 53 54.618 54.618 55.731 -1.113 17629 6750 1 20 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.131 2.913 17629 6751 1 20 . 1 1 53 53 LEU H H 53 9.169 9.169 8.529 0.640 17629 6752 1 20 . 1 1 54 54 VAL N N 54 111.925 111.925 115.567 -3.642 17629 6753 1 20 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.485 0.355 17629 6754 1 20 . 1 1 54 54 VAL C C 54 172.319 172.319 174.534 -2.215 17629 6755 1 20 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.911 -3.721 17629 6756 1 20 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.773 0.430 17629 6757 1 20 . 1 1 54 54 VAL H H 54 9.191 9.191 7.545 1.645 17629 6758 1 20 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.408 -1.295 17629 6759 1 20 . 1 1 55 55 PRO C C 55 178.107 178.107 176.219 1.888 17629 6760 1 20 . 1 1 55 55 PRO CA C 55 61.036 61.036 59.021 2.015 17629 6761 1 20 . 1 1 55 55 PRO CB C 55 31.430 31.430 34.638 -3.208 17629 6762 1 20 . 1 1 56 56 GLU N N 56 126.923 126.923 120.418 6.505 17629 6763 1 20 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.628 -0.872 17629 6764 1 20 . 1 1 56 56 GLU C C 56 177.586 177.586 176.168 1.418 17629 6765 1 20 . 1 1 56 56 GLU CA C 56 59.052 59.052 55.015 4.037 17629 6766 1 20 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.261 -1.048 17629 6767 1 20 . 1 1 56 56 GLU H H 56 8.503 8.503 8.695 -0.192 17629 6768 1 20 . 1 1 57 57 GLU N N 57 113.138 113.138 127.813 -14.675 17629 6769 1 20 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.279 0.056 17629 6770 1 20 . 1 1 57 57 GLU C C 57 175.950 175.950 177.121 -1.171 17629 6771 1 20 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.118 -0.484 17629 6772 1 20 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.540 0.275 17629 6773 1 20 . 1 1 57 57 GLU H H 57 8.743 8.743 8.974 -0.231 17629 6774 1 20 . 1 1 58 58 PHE N N 58 116.994 116.994 123.736 -6.742 17629 6775 1 20 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.658 0.129 17629 6776 1 20 . 1 1 58 58 PHE C C 58 174.773 174.773 174.847 -0.074 17629 6777 1 20 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.134 -1.463 17629 6778 1 20 . 1 1 58 58 PHE H H 58 8.002 8.002 8.076 -0.074 17629 6779 1 20 . 1 1 59 59 VAL N N 59 110.037 110.037 123.463 -13.426 17629 6780 1 20 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.520 0.890 17629 6781 1 20 . 1 1 59 59 VAL C C 59 173.781 173.781 174.195 -0.414 17629 6782 1 20 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.529 -1.607 17629 6783 1 20 . 1 1 59 59 VAL CB C 59 35.172 35.172 32.323 2.849 17629 6784 1 20 . 1 1 59 59 VAL H H 59 7.328 7.328 8.236 -0.907 17629 6785 1 20 . 1 1 60 60 SER HA H 60 4.711 4.711 4.441 0.270 17629 6786 1 20 . 1 1 60 60 SER C C 60 174.901 174.901 174.209 0.692 17629 6787 1 20 . 1 1 60 60 SER CA C 60 55.416 55.416 59.184 -3.768 17629 6788 1 20 . 1 1 60 60 SER CB C 60 64.846 64.846 63.708 1.138 17629 6789 1 20 . 1 1 61 61 TYR N N 61 126.709 126.709 118.092 8.617 17629 6790 1 20 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.760 -0.186 17629 6791 1 20 . 1 1 61 61 TYR C C 61 176.232 176.232 174.209 2.023 17629 6792 1 20 . 1 1 61 61 TYR CA C 61 59.240 59.240 57.745 1.495 17629 6793 1 20 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.817 -0.831 17629 6794 1 20 . 1 1 61 61 TYR H H 61 8.560 8.560 8.321 0.239 17629 6795 1 20 . 1 1 62 62 ILE N N 62 122.059 122.059 120.253 1.806 17629 6796 1 20 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.409 -0.166 17629 6797 1 20 . 1 1 62 62 ILE C C 62 175.812 175.812 176.011 -0.199 17629 6798 1 20 . 1 1 62 62 ILE CA C 62 60.630 60.630 61.077 -0.447 17629 6799 1 20 . 1 1 62 62 ILE CB C 62 39.160 39.160 38.776 0.384 17629 6800 1 20 . 1 1 62 62 ILE H H 62 8.303 8.303 7.761 0.542 17629 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 56 6.089 0.237 6.140 17629 2 1 1 "Average Difference" HA 79 0.643 0.052 0.645 17629 3 1 1 "Average Difference" C 61 1.845 0.042 1.860 17629 4 1 1 "Average Difference" CA 58 2.558 0.044 2.580 17629 5 1 1 "Average Difference" CB 52 2.447 -0.251 2.458 17629 6 1 1 "Average Difference" HN 65 0.832 -0.128 0.828 17629 7 1 2 "Average Difference" N 56 5.849 0.180 5.899 17629 8 1 2 "Average Difference" HA 79 0.656 0.075 0.656 17629 9 1 2 "Average Difference" C 61 1.876 0.024 1.891 17629 10 1 2 "Average Difference" CA 58 2.595 0.040 2.618 17629 11 1 2 "Average Difference" CB 52 2.532 -0.188 2.549 17629 12 1 2 "Average Difference" HN 65 0.834 -0.128 0.831 17629 13 1 3 "Average Difference" N 56 6.083 0.323 6.129 17629 14 1 3 "Average Difference" HA 79 0.654 0.061 0.656 17629 15 1 3 "Average Difference" C 61 1.903 0.064 1.918 17629 16 1 3 "Average Difference" CA 58 2.594 0.104 2.615 17629 17 1 3 "Average Difference" CB 52 2.474 -0.237 2.486 17629 18 1 3 "Average Difference" HN 65 0.849 -0.135 0.844 17629 19 1 4 "Average Difference" N 56 6.050 0.209 6.101 17629 20 1 4 "Average Difference" HA 79 0.656 0.078 0.656 17629 21 1 4 "Average Difference" C 61 1.852 0.047 1.867 17629 22 1 4 "Average Difference" CA 58 2.557 -0.012 2.580 17629 23 1 4 "Average Difference" CB 52 2.487 -0.238 2.500 17629 24 1 4 "Average Difference" HN 65 0.835 -0.117 0.833 17629 25 1 5 "Average Difference" N 56 5.920 0.038 5.973 17629 26 1 5 "Average Difference" HA 79 0.647 0.056 0.649 17629 27 1 5 "Average Difference" C 61 1.863 0.026 1.878 17629 28 1 5 "Average Difference" CA 58 2.590 0.064 2.612 17629 29 1 5 "Average Difference" CB 52 2.477 -0.170 2.495 17629 30 1 5 "Average Difference" HN 65 0.830 -0.129 0.826 17629 31 1 6 "Average Difference" N 56 5.897 0.214 5.946 17629 32 1 6 "Average Difference" HA 79 0.653 0.059 0.655 17629 33 1 6 "Average Difference" C 61 1.899 0.011 1.914 17629 34 1 6 "Average Difference" CA 58 2.610 0.068 2.632 17629 35 1 6 "Average Difference" CB 52 2.532 -0.230 2.547 17629 36 1 6 "Average Difference" HN 65 0.837 -0.111 0.836 17629 37 1 7 "Average Difference" N 56 5.924 0.252 5.972 17629 38 1 7 "Average Difference" HA 79 0.643 0.051 0.645 17629 39 1 7 "Average Difference" C 61 1.912 0.006 1.928 17629 40 1 7 "Average Difference" CA 58 2.558 0.085 2.578 17629 41 1 7 "Average Difference" CB 52 2.465 -0.217 2.480 17629 42 1 7 "Average Difference" HN 65 0.854 -0.136 0.850 17629 43 1 8 "Average Difference" N 56 5.802 0.210 5.851 17629 44 1 8 "Average Difference" HA 79 0.647 0.058 0.649 17629 45 1 8 "Average Difference" C 61 1.861 0.002 1.877 17629 46 1 8 "Average Difference" CA 58 2.654 0.088 2.676 17629 47 1 8 "Average Difference" CB 52 2.531 -0.185 2.548 17629 48 1 8 "Average Difference" HN 65 0.839 -0.139 0.834 17629 49 1 9 "Average Difference" N 56 5.937 0.127 5.989 17629 50 1 9 "Average Difference" HA 79 0.643 0.047 0.646 17629 51 1 9 "Average Difference" C 61 1.905 -0.004 1.921 17629 52 1 9 "Average Difference" CA 58 2.575 0.090 2.596 17629 53 1 9 "Average Difference" CB 52 2.516 -0.272 2.525 17629 54 1 9 "Average Difference" HN 65 0.818 -0.111 0.817 17629 55 1 10 "Average Difference" N 56 5.793 0.229 5.840 17629 56 1 10 "Average Difference" HA 79 0.649 0.055 0.651 17629 57 1 10 "Average Difference" C 61 1.877 -0.014 1.893 17629 58 1 10 "Average Difference" CA 58 2.590 0.025 2.613 17629 59 1 10 "Average Difference" CB 52 2.506 -0.216 2.521 17629 60 1 10 "Average Difference" HN 65 0.821 -0.117 0.819 17629 61 1 11 "Average Difference" N 56 6.013 0.111 6.066 17629 62 1 11 "Average Difference" HA 79 0.648 0.056 0.650 17629 63 1 11 "Average Difference" C 61 1.875 0.014 1.891 17629 64 1 11 "Average Difference" CA 58 2.531 0.071 2.552 17629 65 1 11 "Average Difference" CB 52 2.505 -0.282 2.513 17629 66 1 11 "Average Difference" HN 65 0.818 -0.133 0.813 17629 67 1 12 "Average Difference" N 56 5.842 0.143 5.893 17629 68 1 12 "Average Difference" HA 79 0.658 0.058 0.660 17629 69 1 12 "Average Difference" C 61 1.890 -0.021 1.905 17629 70 1 12 "Average Difference" CA 58 2.620 0.059 2.642 17629 71 1 12 "Average Difference" CB 52 2.485 -0.210 2.501 17629 72 1 12 "Average Difference" HN 65 0.849 -0.125 0.846 17629 73 1 13 "Average Difference" N 56 5.964 0.092 6.017 17629 74 1 13 "Average Difference" HA 79 0.650 0.068 0.651 17629 75 1 13 "Average Difference" C 61 1.843 -0.003 1.858 17629 76 1 13 "Average Difference" CA 58 2.581 0.043 2.603 17629 77 1 13 "Average Difference" CB 52 2.420 -0.262 2.429 17629 78 1 13 "Average Difference" HN 65 0.834 -0.153 0.826 17629 79 1 14 "Average Difference" N 56 5.955 0.176 6.006 17629 80 1 14 "Average Difference" HA 79 0.645 0.063 0.646 17629 81 1 14 "Average Difference" C 61 1.925 0.003 1.941 17629 82 1 14 "Average Difference" CA 58 2.583 0.079 2.604 17629 83 1 14 "Average Difference" CB 52 2.500 -0.146 2.520 17629 84 1 14 "Average Difference" HN 65 0.828 -0.109 0.827 17629 85 1 15 "Average Difference" N 56 5.771 0.284 5.816 17629 86 1 15 "Average Difference" HA 79 0.650 0.055 0.652 17629 87 1 15 "Average Difference" C 61 1.893 0.012 1.909 17629 88 1 15 "Average Difference" CA 58 2.596 0.055 2.618 17629 89 1 15 "Average Difference" CB 52 2.473 -0.254 2.484 17629 90 1 15 "Average Difference" HN 65 0.826 -0.151 0.818 17629 91 1 16 "Average Difference" N 56 5.929 0.193 5.979 17629 92 1 16 "Average Difference" HA 79 0.652 0.054 0.654 17629 93 1 16 "Average Difference" C 61 1.849 0.022 1.864 17629 94 1 16 "Average Difference" CA 58 2.527 0.079 2.548 17629 95 1 16 "Average Difference" CB 52 2.504 -0.287 2.512 17629 96 1 16 "Average Difference" HN 65 0.824 -0.120 0.822 17629 97 1 17 "Average Difference" N 56 5.979 0.202 6.030 17629 98 1 17 "Average Difference" HA 79 0.649 0.067 0.650 17629 99 1 17 "Average Difference" C 61 1.847 0.028 1.862 17629 100 1 17 "Average Difference" CA 58 2.576 0.089 2.597 17629 101 1 17 "Average Difference" CB 52 2.530 -0.247 2.543 17629 102 1 17 "Average Difference" HN 65 0.840 -0.118 0.838 17629 103 1 18 "Average Difference" N 56 5.875 0.264 5.922 17629 104 1 18 "Average Difference" HA 79 0.653 0.058 0.654 17629 105 1 18 "Average Difference" C 61 1.796 -0.009 1.811 17629 106 1 18 "Average Difference" CA 58 2.600 0.090 2.621 17629 107 1 18 "Average Difference" CB 52 2.495 -0.193 2.512 17629 108 1 18 "Average Difference" HN 65 0.834 -0.129 0.831 17629 109 1 19 "Average Difference" N 56 6.003 0.089 6.056 17629 110 1 19 "Average Difference" HA 79 0.649 0.056 0.651 17629 111 1 19 "Average Difference" C 61 1.859 -0.015 1.874 17629 112 1 19 "Average Difference" CA 58 2.585 0.059 2.607 17629 113 1 19 "Average Difference" CB 52 2.516 -0.233 2.529 17629 114 1 19 "Average Difference" HN 65 0.824 -0.149 0.817 17629 115 1 20 "Average Difference" N 56 5.894 0.176 5.945 17629 116 1 20 "Average Difference" HA 79 0.648 0.066 0.649 17629 117 1 20 "Average Difference" C 61 1.864 0.007 1.879 17629 118 1 20 "Average Difference" CA 58 2.571 0.001 2.594 17629 119 1 20 "Average Difference" CB 52 2.523 -0.281 2.531 17629 120 1 20 "Average Difference" HN 65 0.836 -0.125 0.833 17629 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 17629 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 2 125.410 125.410 124.153 1.257 17629 2 1 . 1 1 2 2 LYS HA H 2 8.734 8.734 9.140 -0.406 17629 3 1 . 1 1 2 2 LYS C C 2 176.439 176.439 176.184 0.255 17629 4 1 . 1 1 2 2 LYS CA C 2 51.573 51.573 51.024 0.549 17629 5 1 . 1 1 2 2 LYS CB C 2 20.200 20.200 20.838 -0.638 17629 6 1 . 1 1 2 2 LYS H H 2 16.440 16.440 15.548 0.892 17629 7 1 . 1 1 3 3 PHE N N 3 123.092 123.092 124.817 -1.725 17629 8 1 . 1 1 3 3 PHE HA H 3 8.567 8.567 9.925 -1.358 17629 9 1 . 1 1 3 3 PHE C C 3 175.856 175.856 174.814 1.042 17629 10 1 . 1 1 3 3 PHE CA C 3 61.665 61.665 60.721 0.945 17629 11 1 . 1 1 3 3 PHE CB C 3 38.611 38.611 39.629 -1.018 17629 12 1 . 1 1 3 3 PHE H H 3 16.721 16.721 17.437 -0.716 17629 13 1 . 1 1 4 4 ILE N N 4 125.149 125.149 118.501 6.648 17629 14 1 . 1 1 4 4 ILE HA H 4 8.304 8.304 9.166 -0.862 17629 15 1 . 1 1 4 4 ILE C C 4 175.190 175.190 172.846 2.344 17629 16 1 . 1 1 4 4 ILE CA C 4 62.779 62.779 61.500 1.279 17629 17 1 . 1 1 4 4 ILE CB C 4 33.532 33.532 35.674 -2.142 17629 18 1 . 1 1 4 4 ILE H H 4 15.942 15.942 17.685 -1.743 17629 19 1 . 1 1 5 5 PRO N N 5 121.258 121.258 119.010 2.248 17629 20 1 . 1 1 5 5 PRO HA H 5 8.420 8.420 10.444 -2.024 17629 21 1 . 1 1 5 5 PRO C C 5 174.455 174.455 173.449 1.006 17629 22 1 . 1 1 5 5 PRO CA C 5 53.340 53.340 49.869 3.471 17629 23 1 . 1 1 5 5 PRO CB C 5 37.870 37.870 42.829 -4.959 17629 24 1 . 1 1 5 5 PRO H H 5 8.238 8.238 8.553 -0.315 17629 25 1 . 1 1 6 6 SER N N 6 118.930 118.930 126.297 -7.367 17629 26 1 . 1 1 6 6 SER HA H 6 8.985 8.985 9.444 -0.459 17629 27 1 . 1 1 6 6 SER C C 6 174.756 174.756 175.964 -1.208 17629 28 1 . 1 1 6 6 SER CA C 6 55.269 55.269 54.740 0.529 17629 29 1 . 1 1 6 6 SER CB C 6 31.970 31.970 28.711 3.259 17629 30 1 . 1 1 6 6 SER H H 6 17.115 17.115 17.450 -0.335 17629 31 1 . 1 1 7 7 ARG N N 7 124.908 124.908 124.408 0.500 17629 32 1 . 1 1 7 7 ARG HA H 7 9.718 9.718 7.921 1.797 17629 33 1 . 1 1 7 7 ARG C C 7 175.313 175.313 175.725 -0.412 17629 34 1 . 1 1 7 7 ARG CA C 7 56.469 56.469 57.784 -1.315 17629 35 1 . 1 1 7 7 ARG CB C 7 32.540 32.540 30.057 2.483 17629 36 1 . 1 1 7 7 ARG H H 7 16.323 16.323 17.068 -0.746 17629 37 1 . 1 1 8 8 ALA N N 8 126.210 126.210 117.367 8.843 17629 38 1 . 1 1 8 8 ALA HA H 8 4.990 4.990 4.242 0.748 17629 39 1 . 1 1 8 8 ALA C C 8 173.314 173.314 175.789 -2.475 17629 40 1 . 1 1 8 8 ALA CA C 8 50.770 50.770 49.473 1.297 17629 41 1 . 1 1 8 8 ALA CB C 8 23.215 23.215 21.150 2.065 17629 42 1 . 1 1 8 8 ALA H H 8 9.198 9.198 7.118 2.080 17629 43 1 . 1 1 9 9 ALA N N 9 117.480 117.480 120.248 -2.768 17629 44 1 . 1 1 9 9 ALA HA H 9 8.887 8.887 8.639 0.248 17629 45 1 . 1 1 9 9 ALA C C 9 174.805 174.805 174.913 -0.108 17629 46 1 . 1 1 9 9 ALA CA C 9 57.825 57.825 62.815 -4.990 17629 47 1 . 1 1 9 9 ALA CB C 9 35.157 35.157 32.197 2.960 17629 48 1 . 1 1 9 9 ALA H H 9 17.255 17.255 16.309 0.947 17629 49 1 . 1 1 10 10 PRO N N 10 127.491 127.491 126.107 1.384 17629 50 1 . 1 1 10 10 PRO HA H 10 9.144 9.144 9.692 -0.547 17629 51 1 . 1 1 10 10 PRO C C 10 178.703 178.703 175.192 3.511 17629 52 1 . 1 1 10 10 PRO CA C 10 51.821 51.821 51.091 0.730 17629 53 1 . 1 1 10 10 PRO CB C 10 20.197 20.197 23.467 -3.270 17629 54 1 . 1 1 10 10 PRO H H 10 9.208 9.208 8.708 0.500 17629 55 1 . 1 1 11 11 LYS N N 11 127.224 127.224 125.714 1.510 17629 56 1 . 1 1 11 11 LYS HA H 11 8.433 8.433 8.940 -0.507 17629 57 1 . 1 1 11 11 LYS C C 11 175.084 175.084 173.765 1.319 17629 58 1 . 1 1 11 11 LYS CA C 11 55.345 55.345 49.727 5.618 17629 59 1 . 1 1 11 11 LYS CB C 11 43.437 43.437 43.844 -0.407 17629 60 1 . 1 1 11 11 LYS H H 11 17.608 17.608 15.760 1.848 17629 61 1 . 1 1 12 12 PRO HA H 12 8.528 8.528 9.149 -0.621 17629 62 1 . 1 1 12 12 PRO C C 12 173.503 173.503 174.404 -0.901 17629 63 1 . 1 1 12 12 PRO CB C 12 42.787 42.787 39.632 3.155 17629 64 1 . 1 1 13 13 PRO N N 13 117.819 117.819 121.392 -3.573 17629 65 1 . 1 1 13 13 PRO HA H 13 8.921 8.921 9.042 -0.121 17629 66 1 . 1 1 13 13 PRO C C 13 175.940 175.940 175.781 0.159 17629 67 1 . 1 1 13 13 PRO CA C 13 54.569 54.569 53.897 0.672 17629 68 1 . 1 1 13 13 PRO CB C 13 41.489 41.489 41.770 -0.281 17629 69 1 . 1 1 13 13 PRO H H 13 8.361 8.361 8.826 -0.465 17629 70 1 . 1 1 14 14 SER N N 14 122.300 122.300 119.116 3.184 17629 71 1 . 1 1 14 14 SER HA H 14 9.436 9.436 9.316 0.120 17629 72 1 . 1 1 14 14 SER C C 14 172.522 172.522 175.066 -2.544 17629 73 1 . 1 1 14 14 SER CA C 14 56.389 56.389 57.330 -0.941 17629 74 1 . 1 1 14 14 SER CB C 14 42.864 42.864 40.550 2.314 17629 75 1 . 1 1 14 14 SER H H 14 17.371 17.371 15.313 2.058 17629 76 1 . 1 1 15 15 GLU N N 15 128.991 128.991 118.875 10.116 17629 77 1 . 1 1 15 15 GLU HA H 15 4.687 4.687 4.384 0.303 17629 78 1 . 1 1 15 15 GLU C C 15 172.941 172.941 175.555 -2.614 17629 79 1 . 1 1 15 15 GLU CA C 15 51.415 51.415 57.310 -5.895 17629 80 1 . 1 1 15 15 GLU CB C 15 30.190 30.190 29.317 0.873 17629 81 1 . 1 1 15 15 GLU H H 15 8.234 8.234 8.582 -0.348 17629 82 1 . 1 1 16 16 ALA HA H 16 8.391 8.391 8.748 -0.357 17629 83 1 . 1 1 16 16 ALA C C 16 177.175 177.175 176.039 1.136 17629 84 1 . 1 1 16 16 ALA CA C 16 62.599 62.599 62.516 0.083 17629 85 1 . 1 1 16 16 ALA CB C 16 34.485 34.485 32.373 2.111 17629 86 1 . 1 1 16 16 ALA H H 16 8.263 8.263 7.885 0.378 17629 87 1 . 1 1 17 17 GLU N N 17 119.882 119.882 119.882 0.000 17629 88 1 . 1 1 17 17 GLU HA H 17 4.379 4.379 4.683 -0.304 17629 89 1 . 1 1 17 17 GLU C C 17 175.065 175.065 175.159 -0.094 17629 90 1 . 1 1 17 17 GLU CA C 17 55.581 55.581 55.466 0.115 17629 91 1 . 1 1 17 17 GLU CB C 17 31.777 31.777 32.044 -0.267 17629 92 1 . 1 1 17 17 GLU H H 17 8.952 8.952 7.514 1.438 17629 93 1 . 1 1 18 18 ASN N N 18 114.565 114.565 119.899 -5.334 17629 94 1 . 1 1 18 18 ASN HA H 18 4.870 4.870 5.114 -0.244 17629 95 1 . 1 1 18 18 ASN C C 18 175.256 175.256 174.348 0.908 17629 96 1 . 1 1 18 18 ASN CA C 18 51.950 51.950 51.625 0.325 17629 97 1 . 1 1 18 18 ASN CB C 18 43.446 43.446 41.512 1.934 17629 98 1 . 1 1 18 18 ASN H H 18 7.177 7.177 8.972 -1.795 17629 99 1 . 1 1 19 19 ASP N N 19 120.622 120.622 121.455 -0.833 17629 100 1 . 1 1 19 19 ASP HA H 19 4.512 4.512 4.908 -0.396 17629 101 1 . 1 1 19 19 ASP C C 19 175.848 175.848 175.575 0.273 17629 102 1 . 1 1 19 19 ASP CA C 19 56.450 56.450 54.054 2.396 17629 103 1 . 1 1 19 19 ASP CB C 19 40.659 40.659 41.823 -1.164 17629 104 1 . 1 1 19 19 ASP H H 19 8.753 8.753 8.424 0.329 17629 105 1 . 1 1 20 20 ASN N N 20 115.197 115.197 118.584 -3.387 17629 106 1 . 1 1 20 20 ASN HA H 20 4.765 4.765 5.145 -0.380 17629 107 1 . 1 1 20 20 ASN C C 20 174.017 174.017 173.693 0.324 17629 108 1 . 1 1 20 20 ASN CB C 20 37.418 37.418 43.271 -5.853 17629 109 1 . 1 1 20 20 ASN H H 20 8.124 8.124 9.049 -0.925 17629 110 1 . 1 1 21 21 GLU N N 21 119.591 119.591 123.334 -3.743 17629 111 1 . 1 1 21 21 GLU HA H 21 4.849 4.849 4.733 0.116 17629 112 1 . 1 1 21 21 GLU C C 21 174.638 174.638 174.645 -0.007 17629 113 1 . 1 1 21 21 GLU CA C 21 54.545 54.545 55.117 -0.572 17629 114 1 . 1 1 21 21 GLU CB C 21 31.708 31.708 31.775 -0.067 17629 115 1 . 1 1 21 21 GLU H H 21 7.453 7.453 8.509 -1.056 17629 116 1 . 1 1 22 22 LEU N N 22 126.694 126.694 126.511 0.183 17629 117 1 . 1 1 22 22 LEU HA H 22 4.355 4.355 3.882 0.473 17629 118 1 . 1 1 22 22 LEU C C 22 173.258 173.258 177.964 -4.706 17629 119 1 . 1 1 22 22 LEU CA C 22 53.448 53.448 56.502 -3.054 17629 120 1 . 1 1 22 22 LEU CB C 22 44.350 44.350 41.566 2.784 17629 121 1 . 1 1 22 22 LEU H H 22 8.765 8.765 8.802 -0.037 17629 122 1 . 1 1 23 23 ARG N N 23 123.640 123.640 127.749 -4.109 17629 123 1 . 1 1 23 23 ARG HA H 23 4.176 4.176 3.840 0.336 17629 124 1 . 1 1 23 23 ARG C C 23 176.038 176.038 175.773 0.265 17629 125 1 . 1 1 23 23 ARG CA C 23 57.119 57.119 55.741 1.378 17629 126 1 . 1 1 23 23 ARG H H 23 8.023 8.023 8.918 -0.895 17629 127 1 . 1 1 24 24 LEU N N 24 122.047 122.047 122.520 -0.473 17629 128 1 . 1 1 24 24 LEU HA H 24 4.926 4.926 4.447 0.479 17629 129 1 . 1 1 24 24 LEU C C 24 176.320 176.320 175.873 0.447 17629 130 1 . 1 1 24 24 LEU CA C 24 53.589 53.589 55.098 -1.509 17629 131 1 . 1 1 24 24 LEU CB C 24 45.841 45.841 43.038 2.803 17629 132 1 . 1 1 24 24 LEU H H 24 8.686 8.686 8.125 0.561 17629 133 1 . 1 1 25 25 ALA N N 25 127.826 127.826 123.527 4.299 17629 134 1 . 1 1 25 25 ALA HA H 25 5.050 5.050 4.682 0.368 17629 135 1 . 1 1 25 25 ALA C C 25 176.497 176.497 176.581 -0.084 17629 136 1 . 1 1 25 25 ALA CA C 25 49.736 49.736 50.621 -0.885 17629 137 1 . 1 1 25 25 ALA CB C 25 20.767 20.767 19.679 1.088 17629 138 1 . 1 1 25 25 ALA H H 25 8.747 8.747 8.239 0.508 17629 139 1 . 1 1 26 26 GLU N N 26 121.396 121.396 118.353 3.043 17629 140 1 . 1 1 26 26 GLU HA H 26 3.191 3.191 4.922 -1.731 17629 141 1 . 1 1 26 26 GLU C C 26 177.095 177.095 174.207 2.888 17629 142 1 . 1 1 26 26 GLU CA C 26 58.455 58.455 53.222 5.233 17629 143 1 . 1 1 26 26 GLU CB C 26 29.440 29.440 33.149 -3.709 17629 144 1 . 1 1 26 26 GLU H H 26 8.756 8.756 8.778 -0.022 17629 145 1 . 1 1 27 27 GLY N N 27 115.237 115.237 108.853 6.384 17629 146 1 . 1 1 27 27 GLY C C 27 174.571 174.571 174.761 -0.190 17629 147 1 . 1 1 27 27 GLY CA C 27 44.776 44.776 42.908 1.868 17629 148 1 . 1 1 27 27 GLY H H 27 8.878 8.878 8.539 0.339 17629 149 1 . 1 1 28 28 ASP N N 28 122.805 122.805 125.745 -2.940 17629 150 1 . 1 1 28 28 ASP HA H 28 4.482 4.482 4.646 -0.164 17629 151 1 . 1 1 28 28 ASP C C 28 174.781 174.781 176.851 -2.070 17629 152 1 . 1 1 28 28 ASP CA C 28 55.493 55.493 52.899 2.594 17629 153 1 . 1 1 28 28 ASP CB C 28 41.734 41.734 37.861 3.873 17629 154 1 . 1 1 28 28 ASP H H 28 8.655 8.655 8.890 -0.235 17629 155 1 . 1 1 29 29 ILE N N 29 120.912 120.912 128.747 -7.835 17629 156 1 . 1 1 29 29 ILE HA H 29 4.909 4.909 4.082 0.827 17629 157 1 . 1 1 29 29 ILE C C 29 176.392 176.392 175.242 1.150 17629 158 1 . 1 1 29 29 ILE CA C 29 58.935 58.935 65.191 -6.256 17629 159 1 . 1 1 29 29 ILE CB C 29 37.610 37.610 39.172 -1.562 17629 160 1 . 1 1 29 29 ILE H H 29 8.484 8.484 8.626 -0.142 17629 161 1 . 1 1 30 30 VAL N N 30 118.766 118.766 113.997 4.769 17629 162 1 . 1 1 30 30 VAL HA H 30 4.844 4.844 4.361 0.483 17629 163 1 . 1 1 30 30 VAL C C 30 173.455 173.455 173.361 0.094 17629 164 1 . 1 1 30 30 VAL CA C 30 58.135 58.135 60.855 -2.720 17629 165 1 . 1 1 30 30 VAL CB C 30 35.470 35.470 32.994 2.476 17629 166 1 . 1 1 30 30 VAL H H 30 8.840 8.840 7.439 1.401 17629 167 1 . 1 1 31 31 PHE N N 31 118.993 118.993 123.749 -4.756 17629 168 1 . 1 1 31 31 PHE HA H 31 4.966 4.966 4.585 0.381 17629 169 1 . 1 1 31 31 PHE C C 31 175.600 175.600 174.569 1.031 17629 170 1 . 1 1 31 31 PHE CA C 31 56.697 56.697 58.044 -1.347 17629 171 1 . 1 1 31 31 PHE CB C 31 41.170 41.170 39.908 1.262 17629 172 1 . 1 1 31 31 PHE H H 31 8.961 8.961 8.751 0.210 17629 173 1 . 1 1 32 32 ILE N N 32 124.714 124.714 126.309 -1.595 17629 174 1 . 1 1 32 32 ILE HA H 32 4.370 4.370 4.487 -0.117 17629 175 1 . 1 1 32 32 ILE C C 32 175.776 175.776 175.775 0.001 17629 176 1 . 1 1 32 32 ILE CA C 32 58.549 58.549 60.476 -1.927 17629 177 1 . 1 1 32 32 ILE CB C 32 36.035 36.035 41.752 -5.717 17629 178 1 . 1 1 32 32 ILE H H 32 9.043 9.043 8.241 0.802 17629 179 1 . 1 1 33 33 SER N N 33 124.251 124.251 115.299 8.952 17629 180 1 . 1 1 33 33 SER HA H 33 4.630 4.630 4.139 0.491 17629 181 1 . 1 1 33 33 SER C C 33 175.353 175.353 174.462 0.891 17629 182 1 . 1 1 33 33 SER CA C 33 59.396 59.396 58.523 0.873 17629 183 1 . 1 1 33 33 SER H H 33 9.128 9.128 8.060 1.068 17629 184 1 . 1 1 34 34 TYR N N 34 114.956 114.956 116.440 -1.484 17629 185 1 . 1 1 34 34 TYR HA H 34 4.848 4.848 4.266 0.582 17629 186 1 . 1 1 34 34 TYR C C 34 172.582 172.582 175.891 -3.309 17629 187 1 . 1 1 34 34 TYR CA C 34 57.122 57.122 59.133 -2.011 17629 188 1 . 1 1 34 34 TYR CB C 34 40.260 40.260 36.656 3.604 17629 189 1 . 1 1 34 34 TYR H H 34 7.457 7.457 8.745 -1.288 17629 190 1 . 1 1 35 35 LYS N N 35 122.237 122.237 114.833 7.404 17629 191 1 . 1 1 35 35 LYS HA H 35 4.599 4.599 3.671 0.928 17629 192 1 . 1 1 35 35 LYS C C 35 175.174 175.174 174.760 0.414 17629 193 1 . 1 1 35 35 LYS CA C 35 55.747 55.747 56.240 -0.492 17629 194 1 . 1 1 35 35 LYS H H 35 8.697 8.697 8.518 0.179 17629 195 1 . 1 1 36 36 HIS N N 36 127.413 127.413 117.365 10.048 17629 196 1 . 1 1 36 36 HIS HA H 36 4.652 4.652 4.832 -0.180 17629 197 1 . 1 1 36 36 HIS C C 36 175.918 175.918 173.806 2.112 17629 198 1 . 1 1 36 36 HIS CA C 36 58.334 58.334 54.650 3.684 17629 199 1 . 1 1 36 36 HIS CB C 36 32.782 32.782 31.963 0.819 17629 200 1 . 1 1 36 36 HIS H H 36 8.122 8.122 7.708 0.414 17629 201 1 . 1 1 37 37 GLY N N 37 105.500 105.500 108.923 -3.423 17629 202 1 . 1 1 37 37 GLY C C 37 174.073 174.073 174.177 -0.104 17629 203 1 . 1 1 37 37 GLY CA C 37 43.784 43.784 44.003 -0.219 17629 204 1 . 1 1 37 37 GLY H H 37 8.000 8.000 9.263 -1.264 17629 205 1 . 1 1 38 38 GLN N N 38 114.228 114.228 123.662 -9.434 17629 206 1 . 1 1 38 38 GLN HA H 38 4.091 4.091 4.707 -0.616 17629 207 1 . 1 1 38 38 GLN C C 38 175.546 175.546 174.812 0.734 17629 208 1 . 1 1 38 38 GLN CA C 38 56.938 56.938 55.836 1.102 17629 209 1 . 1 1 38 38 GLN CB C 38 27.560 27.560 27.382 0.178 17629 210 1 . 1 1 38 38 GLN H H 38 9.025 9.025 7.821 1.204 17629 211 1 . 1 1 39 39 GLY N N 39 104.000 104.000 115.959 -11.959 17629 212 1 . 1 1 39 39 GLY C C 39 174.892 174.892 172.622 2.270 17629 213 1 . 1 1 39 39 GLY CA C 39 45.610 45.610 42.880 2.730 17629 214 1 . 1 1 39 39 GLY H H 39 8.664 8.664 8.905 -0.241 17629 215 1 . 1 1 40 40 TRP N N 40 120.355 120.355 120.252 0.103 17629 216 1 . 1 1 40 40 TRP HA H 40 5.251 5.251 5.471 -0.219 17629 217 1 . 1 1 40 40 TRP C C 40 175.702 175.702 176.157 -0.455 17629 218 1 . 1 1 40 40 TRP CA C 40 56.599 56.599 54.700 1.898 17629 219 1 . 1 1 40 40 TRP CB C 40 33.358 33.358 33.025 0.333 17629 220 1 . 1 1 40 40 TRP H H 40 7.938 7.938 8.270 -0.332 17629 221 1 . 1 1 41 41 LEU N N 41 121.736 121.736 122.282 -0.546 17629 222 1 . 1 1 41 41 LEU HA H 41 4.967 4.967 4.110 0.857 17629 223 1 . 1 1 41 41 LEU C C 41 174.893 174.893 177.626 -2.733 17629 224 1 . 1 1 41 41 LEU CA C 41 52.939 52.939 54.581 -1.642 17629 225 1 . 1 1 41 41 LEU CB C 41 44.656 44.656 43.112 1.544 17629 226 1 . 1 1 41 41 LEU H H 41 9.626 9.626 8.559 1.067 17629 227 1 . 1 1 42 42 VAL N N 42 120.248 120.248 118.424 1.824 17629 228 1 . 1 1 42 42 VAL HA H 42 4.108 4.108 3.789 0.319 17629 229 1 . 1 1 42 42 VAL C C 42 173.905 173.905 177.428 -3.523 17629 230 1 . 1 1 42 42 VAL CA C 42 63.299 63.299 64.680 -1.381 17629 231 1 . 1 1 42 42 VAL CB C 42 31.762 31.762 31.719 0.043 17629 232 1 . 1 1 42 42 VAL H H 42 8.593 8.593 8.567 0.026 17629 233 1 . 1 1 43 43 ALA N N 43 130.238 130.238 120.529 9.709 17629 234 1 . 1 1 43 43 ALA HA H 43 5.489 5.489 4.143 1.346 17629 235 1 . 1 1 43 43 ALA C C 43 174.736 174.736 178.384 -3.648 17629 236 1 . 1 1 43 43 ALA CA C 43 49.698 49.698 53.355 -3.657 17629 237 1 . 1 1 43 43 ALA CB C 43 25.126 25.126 19.257 5.869 17629 238 1 . 1 1 43 43 ALA H H 43 9.080 9.080 7.969 1.111 17629 239 1 . 1 1 44 44 GLU N N 44 118.066 118.066 119.617 -1.551 17629 240 1 . 1 1 44 44 GLU HA H 44 5.370 5.370 4.151 1.219 17629 241 1 . 1 1 44 44 GLU C C 44 176.343 176.343 176.215 0.128 17629 242 1 . 1 1 44 44 GLU CA C 44 53.914 53.914 57.177 -3.263 17629 243 1 . 1 1 44 44 GLU H H 44 9.055 9.055 7.891 1.164 17629 244 1 . 1 1 45 45 ASN N N 45 118.721 118.721 117.276 1.445 17629 245 1 . 1 1 45 45 ASN HA H 45 4.820 4.820 4.790 0.030 17629 246 1 . 1 1 45 45 ASN C C 45 175.581 175.581 174.837 0.744 17629 247 1 . 1 1 45 45 ASN CA C 45 52.001 52.001 53.355 -1.354 17629 248 1 . 1 1 45 45 ASN CB C 45 37.767 37.767 39.280 -1.513 17629 249 1 . 1 1 45 45 ASN H H 45 8.342 8.342 8.194 0.148 17629 250 1 . 1 1 46 46 GLU N N 46 120.491 120.491 122.136 -1.645 17629 251 1 . 1 1 46 46 GLU HA H 46 3.950 3.950 4.594 -0.644 17629 252 1 . 1 1 46 46 GLU C C 46 177.658 177.658 174.677 2.981 17629 253 1 . 1 1 46 46 GLU CA C 46 60.138 60.138 55.772 4.366 17629 254 1 . 1 1 46 46 GLU CB C 46 29.508 29.508 31.461 -1.953 17629 255 1 . 1 1 46 46 GLU H H 46 8.521 8.521 7.893 0.628 17629 256 1 . 1 1 47 47 SER N N 47 109.172 109.172 121.524 -12.352 17629 257 1 . 1 1 47 47 SER HA H 47 4.376 4.376 5.085 -0.709 17629 258 1 . 1 1 47 47 SER C C 47 175.760 175.760 173.736 2.024 17629 259 1 . 1 1 47 47 SER CA C 47 58.349 58.349 57.156 1.193 17629 260 1 . 1 1 47 47 SER CB C 47 63.906 63.906 66.562 -2.656 17629 261 1 . 1 1 47 47 SER H H 47 8.029 8.029 8.607 -0.578 17629 262 1 . 1 1 48 48 GLY N N 48 112.365 112.365 111.093 1.272 17629 263 1 . 1 1 48 48 GLY C C 48 174.289 174.289 171.830 2.459 17629 264 1 . 1 1 48 48 GLY CA C 48 45.946 45.946 45.133 0.813 17629 265 1 . 1 1 48 48 GLY H H 48 8.002 8.002 8.937 -0.935 17629 266 1 . 1 1 49 49 SER N N 49 116.280 116.280 115.295 0.985 17629 267 1 . 1 1 49 49 SER HA H 49 4.387 4.387 5.031 -0.644 17629 268 1 . 1 1 49 49 SER C C 49 174.474 174.474 174.306 0.168 17629 269 1 . 1 1 49 49 SER CA C 49 58.778 58.778 57.687 1.091 17629 270 1 . 1 1 49 49 SER CB C 49 64.138 64.138 64.759 -0.621 17629 271 1 . 1 1 49 49 SER H H 49 8.529 8.529 8.151 0.378 17629 272 1 . 1 1 50 50 LYS N N 50 122.336 122.336 117.025 5.311 17629 273 1 . 1 1 50 50 LYS HA H 50 4.677 4.677 5.229 -0.552 17629 274 1 . 1 1 50 50 LYS C C 50 173.788 173.788 174.036 -0.248 17629 275 1 . 1 1 50 50 LYS CA C 50 55.921 55.921 52.105 3.816 17629 276 1 . 1 1 50 50 LYS CB C 50 36.662 36.662 35.349 1.313 17629 277 1 . 1 1 50 50 LYS H H 50 7.879 7.879 9.312 -1.433 17629 278 1 . 1 1 51 51 THR HA H 51 5.465 5.465 4.027 1.438 17629 279 1 . 1 1 51 51 THR C C 51 173.478 173.478 173.952 -0.474 17629 280 1 . 1 1 51 51 THR CA C 51 59.703 59.703 61.450 -1.747 17629 281 1 . 1 1 51 51 THR CB C 51 71.505 71.505 69.208 2.297 17629 282 1 . 1 1 52 52 GLY N N 52 110.609 110.609 110.875 -0.266 17629 283 1 . 1 1 52 52 GLY C C 52 170.386 170.386 176.208 -5.822 17629 284 1 . 1 1 52 52 GLY CA C 52 45.377 45.377 46.875 -1.498 17629 285 1 . 1 1 52 52 GLY H H 52 9.039 9.039 8.372 0.667 17629 286 1 . 1 1 53 53 LEU N N 53 120.239 120.239 119.055 1.184 17629 287 1 . 1 1 53 53 LEU HA H 53 5.199 5.199 4.303 0.896 17629 288 1 . 1 1 53 53 LEU C C 53 177.929 177.929 176.701 1.228 17629 289 1 . 1 1 53 53 LEU CA C 53 54.618 54.618 56.152 -1.534 17629 290 1 . 1 1 53 53 LEU CB C 53 44.044 44.044 41.542 2.502 17629 291 1 . 1 1 53 53 LEU H H 53 9.169 9.169 8.451 0.718 17629 292 1 . 1 1 54 54 VAL N N 54 111.925 111.925 115.960 -4.035 17629 293 1 . 1 1 54 54 VAL HA H 54 4.840 4.840 4.476 0.364 17629 294 1 . 1 1 54 54 VAL C C 54 172.319 172.319 174.550 -2.231 17629 295 1 . 1 1 54 54 VAL CA C 54 57.190 57.190 60.989 -3.799 17629 296 1 . 1 1 54 54 VAL CB C 54 34.202 34.202 33.505 0.697 17629 297 1 . 1 1 54 54 VAL H H 54 9.191 9.191 7.681 1.510 17629 298 1 . 1 1 55 55 PRO HA H 55 4.113 4.113 5.367 -1.254 17629 299 1 . 1 1 55 55 PRO C C 55 178.107 178.107 176.125 1.982 17629 300 1 . 1 1 55 55 PRO CA C 55 61.036 61.036 60.094 0.942 17629 301 1 . 1 1 55 55 PRO CB C 55 31.430 31.430 35.213 -3.783 17629 302 1 . 1 1 56 56 GLU N N 56 126.923 126.923 120.586 6.337 17629 303 1 . 1 1 56 56 GLU HA H 56 3.756 3.756 4.658 -0.902 17629 304 1 . 1 1 56 56 GLU C C 56 177.586 177.586 176.135 1.451 17629 305 1 . 1 1 56 56 GLU CA C 56 59.052 59.052 54.890 4.162 17629 306 1 . 1 1 56 56 GLU CB C 56 30.213 30.213 31.444 -1.231 17629 307 1 . 1 1 56 56 GLU H H 56 8.503 8.503 8.684 -0.181 17629 308 1 . 1 1 57 57 GLU N N 57 113.138 113.138 127.732 -14.594 17629 309 1 . 1 1 57 57 GLU HA H 57 4.335 4.335 4.265 0.070 17629 310 1 . 1 1 57 57 GLU C C 57 175.950 175.950 177.095 -1.145 17629 311 1 . 1 1 57 57 GLU CA C 57 57.634 57.634 58.187 -0.553 17629 312 1 . 1 1 57 57 GLU CB C 57 29.815 29.815 29.470 0.345 17629 313 1 . 1 1 57 57 GLU H H 57 8.743 8.743 8.972 -0.229 17629 314 1 . 1 1 58 58 PHE N N 58 116.994 116.994 124.292 -7.298 17629 315 1 . 1 1 58 58 PHE HA H 58 4.787 4.787 4.636 0.151 17629 316 1 . 1 1 58 58 PHE C C 58 174.773 174.773 174.873 -0.100 17629 317 1 . 1 1 58 58 PHE CB C 58 38.671 38.671 40.144 -1.473 17629 318 1 . 1 1 58 58 PHE H H 58 8.002 8.002 8.002 -0.000 17629 319 1 . 1 1 59 59 VAL N N 59 110.037 110.037 122.892 -12.855 17629 320 1 . 1 1 59 59 VAL HA H 59 5.410 5.410 4.459 0.951 17629 321 1 . 1 1 59 59 VAL C C 59 173.781 173.781 174.316 -0.535 17629 322 1 . 1 1 59 59 VAL CA C 59 57.922 57.922 59.880 -1.958 17629 323 1 . 1 1 59 59 VAL CB C 59 35.172 35.172 33.819 1.353 17629 324 1 . 1 1 59 59 VAL H H 59 7.328 7.328 8.280 -0.952 17629 325 1 . 1 1 60 60 SER HA H 60 4.711 4.711 4.423 0.288 17629 326 1 . 1 1 60 60 SER C C 60 174.901 174.901 174.155 0.746 17629 327 1 . 1 1 60 60 SER CA C 60 55.416 55.416 59.580 -4.165 17629 328 1 . 1 1 60 60 SER CB C 60 64.846 64.846 63.819 1.027 17629 329 1 . 1 1 61 61 TYR N N 61 126.709 126.709 116.700 10.009 17629 330 1 . 1 1 61 61 TYR HA H 61 4.574 4.574 4.673 -0.099 17629 331 1 . 1 1 61 61 TYR C C 61 176.232 176.232 174.190 2.042 17629 332 1 . 1 1 61 61 TYR CA C 61 59.240 59.240 58.006 1.234 17629 333 1 . 1 1 61 61 TYR CB C 61 37.986 37.986 38.811 -0.825 17629 334 1 . 1 1 61 61 TYR H H 61 8.560 8.560 8.232 0.328 17629 335 1 . 1 1 62 62 ILE N N 62 122.059 122.059 119.631 2.428 17629 336 1 . 1 1 62 62 ILE HA H 62 4.243 4.243 4.576 -0.333 17629 337 1 . 1 1 62 62 ILE C C 62 175.812 175.812 175.332 0.480 17629 338 1 . 1 1 62 62 ILE CA C 62 60.630 60.630 60.474 0.157 17629 339 1 . 1 1 62 62 ILE CB C 62 39.160 39.160 39.454 -0.294 17629 340 1 . 1 1 62 62 ILE H H 62 8.303 8.303 7.665 0.638 17629 stop_ save_