data_25428 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25428 _Entry.PDB_ID 2MXT 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 25428 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER N N 2 119.046 119.046 114.869 4.177 25428 2 1 1 . 1 1 2 2 SER HA H 2 4.509 4.509 4.843 -0.334 25428 3 1 1 . 1 1 2 2 SER C C 2 172.827 172.827 175.153 -2.326 25428 4 1 1 . 1 1 2 2 SER CA C 2 55.872 55.872 56.714 -0.842 25428 5 1 1 . 1 1 2 2 SER CB C 2 61.645 61.645 65.468 -3.823 25428 6 1 1 . 1 1 3 3 GLU N N 3 121.401 121.401 122.233 -0.832 25428 7 1 1 . 1 1 3 3 GLU HA H 3 4.172 4.172 3.954 0.218 25428 8 1 1 . 1 1 3 3 GLU C C 3 174.375 174.375 177.997 -3.622 25428 9 1 1 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.814 -4.169 25428 10 1 1 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.573 -3.310 25428 11 1 1 . 1 1 4 4 ASN N N 4 117.467 117.467 117.159 0.308 25428 12 1 1 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.255 0.284 25428 13 1 1 . 1 1 4 4 ASN C C 4 172.792 172.792 177.380 -4.588 25428 14 1 1 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.435 -3.867 25428 15 1 1 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.237 -1.609 25428 16 1 1 . 1 1 5 5 PHE N N 5 121.588 121.588 121.934 -0.346 25428 17 1 1 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.188 -0.209 25428 18 1 1 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.784 -3.105 25428 19 1 1 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.871 -2.645 25428 20 1 1 . 1 1 6 6 GLN N N 6 117.868 117.868 117.656 0.212 25428 21 1 1 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.830 -0.352 25428 22 1 1 . 1 1 6 6 GLN C C 6 174.670 174.670 178.305 -3.635 25428 23 1 1 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.607 -3.306 25428 24 1 1 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.954 -2.697 25428 25 1 1 . 1 1 7 7 THR N N 7 114.124 114.124 117.950 -3.826 25428 26 1 1 . 1 1 7 7 THR HA H 7 3.862 3.862 3.890 -0.028 25428 27 1 1 . 1 1 7 7 THR C C 7 173.949 173.949 176.694 -2.745 25428 28 1 1 . 1 1 7 7 THR CA C 7 62.909 62.909 66.666 -3.757 25428 29 1 1 . 1 1 7 7 THR CB C 7 65.814 65.814 68.638 -2.824 25428 30 1 1 . 1 1 8 8 LEU N N 8 121.809 121.809 121.883 -0.074 25428 31 1 1 . 1 1 8 8 LEU HA H 8 3.893 3.893 3.946 -0.053 25428 32 1 1 . 1 1 8 8 LEU C C 8 175.915 175.915 178.593 -2.678 25428 33 1 1 . 1 1 8 8 LEU CA C 8 54.612 54.612 58.103 -3.491 25428 34 1 1 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.691 -2.664 25428 35 1 1 . 1 1 9 9 LEU N N 9 119.407 119.407 117.985 1.422 25428 36 1 1 . 1 1 9 9 LEU HA H 9 3.999 3.999 3.883 0.116 25428 37 1 1 . 1 1 9 9 LEU C C 9 179.642 179.642 179.446 0.196 25428 38 1 1 . 1 1 9 9 LEU CA C 9 54.393 54.393 57.315 -2.922 25428 39 1 1 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.578 -3.235 25428 40 1 1 . 1 1 10 10 ASP N N 10 122.019 122.019 118.583 3.436 25428 41 1 1 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.485 -0.256 25428 42 1 1 . 1 1 10 10 ASP C C 10 174.743 174.743 176.959 -2.216 25428 43 1 1 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.806 -1.977 25428 44 1 1 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.026 -4.061 25428 45 1 1 . 1 1 11 11 ALA N N 11 121.088 121.088 120.469 0.619 25428 46 1 1 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.335 -0.127 25428 47 1 1 . 1 1 11 11 ALA C C 11 174.553 174.553 177.820 -3.267 25428 48 1 1 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.009 -2.327 25428 49 1 1 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.044 -2.653 25428 50 1 1 . 1 1 12 12 GLY N N 12 104.096 104.096 105.855 -1.759 25428 51 1 1 . 1 1 12 12 GLY C C 12 172.183 172.183 174.903 -2.720 25428 52 1 1 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.928 -2.779 25428 53 1 1 . 1 1 13 13 LEU N N 13 120.523 120.523 122.106 -1.583 25428 54 1 1 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.598 -0.233 25428 55 1 1 . 1 1 13 13 LEU CA C 13 50.153 50.153 52.645 -2.492 25428 56 1 1 . 1 1 13 13 LEU CB C 13 38.486 38.486 41.687 -3.200 25428 57 1 1 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.508 -0.157 25428 58 1 1 . 1 1 14 14 PRO C C 14 174.611 174.611 177.681 -3.070 25428 59 1 1 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.592 -2.864 25428 60 1 1 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.730 -2.927 25428 61 1 1 . 1 1 15 15 GLN N N 15 124.429 124.429 123.102 1.327 25428 62 1 1 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.914 -0.225 25428 63 1 1 . 1 1 15 15 GLN C C 15 174.848 174.848 178.047 -3.199 25428 64 1 1 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.351 -2.501 25428 65 1 1 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.607 -3.274 25428 66 1 1 . 1 1 16 16 LYS N N 16 115.638 115.638 118.648 -3.010 25428 67 1 1 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.080 -0.058 25428 68 1 1 . 1 1 16 16 LYS C C 16 176.800 176.800 179.327 -2.527 25428 69 1 1 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.196 -2.572 25428 70 1 1 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.905 -2.068 25428 71 1 1 . 1 1 17 17 VAL N N 17 118.513 118.513 119.565 -1.052 25428 72 1 1 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.720 -0.330 25428 73 1 1 . 1 1 17 17 VAL C C 17 173.946 173.946 177.423 -3.477 25428 74 1 1 . 1 1 17 17 VAL CA C 17 62.811 62.811 66.338 -3.527 25428 75 1 1 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.875 -2.787 25428 76 1 1 . 1 1 18 18 ALA N N 18 121.811 121.811 122.427 -0.616 25428 77 1 1 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.997 -0.264 25428 78 1 1 . 1 1 18 18 ALA C C 18 176.571 176.571 179.892 -3.321 25428 79 1 1 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.565 -3.046 25428 80 1 1 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.960 -2.344 25428 81 1 1 . 1 1 19 19 GLU N N 19 116.183 116.183 117.748 -1.565 25428 82 1 1 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.027 -0.114 25428 83 1 1 . 1 1 19 19 GLU C C 19 176.184 176.184 179.367 -3.183 25428 84 1 1 . 1 1 19 19 GLU CA C 19 56.832 56.832 60.127 -3.295 25428 85 1 1 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.459 -2.345 25428 86 1 1 . 1 1 20 20 LYS N N 20 120.202 120.202 118.665 1.537 25428 87 1 1 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.064 -0.001 25428 88 1 1 . 1 1 20 20 LYS C C 20 175.707 175.707 179.152 -3.445 25428 89 1 1 . 1 1 20 20 LYS CA C 20 54.340 54.340 58.789 -4.449 25428 90 1 1 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.051 -4.899 25428 91 1 1 . 1 1 21 21 LEU N N 21 120.188 120.188 119.709 0.479 25428 92 1 1 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.000 -0.096 25428 93 1 1 . 1 1 21 21 LEU C C 21 175.138 175.138 178.711 -3.573 25428 94 1 1 . 1 1 21 21 LEU CA C 21 54.762 54.762 57.043 -2.281 25428 95 1 1 . 1 1 21 21 LEU CB C 21 38.389 38.389 41.700 -3.311 25428 96 1 1 . 1 1 22 22 ASP N N 22 118.729 118.729 120.426 -1.697 25428 97 1 1 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.556 -0.131 25428 98 1 1 . 1 1 22 22 ASP C C 22 175.147 175.147 178.646 -3.499 25428 99 1 1 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.729 -2.453 25428 100 1 1 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.792 -1.490 25428 101 1 1 . 1 1 23 23 GLU N N 23 117.201 117.201 118.593 -1.392 25428 102 1 1 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.091 -0.202 25428 103 1 1 . 1 1 23 23 GLU C C 23 177.140 177.140 178.673 -1.533 25428 104 1 1 . 1 1 23 23 GLU CA C 23 56.749 56.749 58.700 -1.950 25428 105 1 1 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.436 -2.395 25428 106 1 1 . 1 1 24 24 ILE N N 24 121.465 121.465 119.188 2.277 25428 107 1 1 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.684 -0.077 25428 108 1 1 . 1 1 24 24 ILE C C 24 174.918 174.918 177.608 -2.690 25428 109 1 1 . 1 1 24 24 ILE CA C 24 63.184 63.184 64.264 -1.080 25428 110 1 1 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.724 -2.757 25428 111 1 1 . 1 1 25 25 TYR N N 25 120.955 120.955 118.014 2.941 25428 112 1 1 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.935 -0.123 25428 113 1 1 . 1 1 25 25 TYR C C 25 179.018 179.018 178.915 0.103 25428 114 1 1 . 1 1 25 25 TYR CA C 25 56.172 56.172 58.132 -1.960 25428 115 1 1 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.112 -3.693 25428 116 1 1 . 1 1 26 26 VAL N N 26 123.429 123.429 119.934 3.495 25428 117 1 1 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.817 -0.226 25428 118 1 1 . 1 1 26 26 VAL C C 26 175.383 175.383 176.911 -1.528 25428 119 1 1 . 1 1 26 26 VAL CA C 26 63.501 63.501 65.053 -1.552 25428 120 1 1 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.934 -2.941 25428 121 1 1 . 1 1 27 27 ALA N N 27 120.082 120.082 120.099 -0.017 25428 122 1 1 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.532 -0.327 25428 123 1 1 . 1 1 27 27 ALA C C 27 175.640 175.640 177.661 -2.021 25428 124 1 1 . 1 1 27 27 ALA CA C 27 50.270 50.270 51.312 -1.042 25428 125 1 1 . 1 1 27 27 ALA CB C 27 15.992 15.992 18.630 -2.638 25428 126 1 1 . 1 1 28 28 GLY N N 28 105.543 105.543 108.026 -2.483 25428 127 1 1 . 1 1 28 28 GLY C C 28 172.315 172.315 174.880 -2.565 25428 128 1 1 . 1 1 28 28 GLY CA C 28 42.539 42.539 46.074 -3.535 25428 129 1 1 . 1 1 29 29 LEU N N 29 119.155 119.155 119.517 -0.362 25428 130 1 1 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.424 -0.419 25428 131 1 1 . 1 1 29 29 LEU C C 29 173.807 173.807 176.131 -2.324 25428 132 1 1 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.193 -2.113 25428 133 1 1 . 1 1 29 29 LEU CB C 29 39.786 39.786 43.054 -3.268 25428 134 1 1 . 1 1 30 30 VAL N N 30 109.334 109.334 111.649 -2.315 25428 135 1 1 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.653 -0.437 25428 136 1 1 . 1 1 30 30 VAL C C 30 170.244 170.244 174.601 -4.357 25428 137 1 1 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.191 -2.747 25428 138 1 1 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.384 -2.019 25428 139 1 1 . 1 1 31 31 ALA N N 31 126.238 126.238 123.316 2.922 25428 140 1 1 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.661 -0.102 25428 141 1 1 . 1 1 31 31 ALA C C 31 176.016 176.016 178.466 -2.450 25428 142 1 1 . 1 1 31 31 ALA CA C 31 47.470 47.470 51.318 -3.848 25428 143 1 1 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.112 -2.072 25428 144 1 1 . 1 1 32 32 HIS N N 32 120.680 120.680 120.019 0.661 25428 145 1 1 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.268 0.722 25428 146 1 1 . 1 1 32 32 HIS C C 32 174.379 174.379 176.190 -1.811 25428 147 1 1 . 1 1 32 32 HIS CA C 32 56.668 56.668 58.445 -1.777 25428 148 1 1 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.044 -2.592 25428 149 1 1 . 1 1 33 33 SER N N 33 109.997 109.997 111.791 -1.794 25428 150 1 1 . 1 1 33 33 SER HA H 33 4.125 4.125 3.947 0.178 25428 151 1 1 . 1 1 33 33 SER C C 33 172.444 172.444 174.515 -2.071 25428 152 1 1 . 1 1 33 33 SER CA C 33 56.158 56.158 58.151 -1.993 25428 153 1 1 . 1 1 33 33 SER CB C 33 60.045 60.045 62.058 -2.013 25428 154 1 1 . 1 1 34 34 ASP N N 34 119.785 119.785 119.882 -0.097 25428 155 1 1 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.635 -0.115 25428 156 1 1 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.283 -1.767 25428 157 1 1 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.335 -1.845 25428 158 1 1 . 1 1 35 35 LEU N N 35 118.248 118.248 119.939 -1.691 25428 159 1 1 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.361 0.092 25428 160 1 1 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.552 -4.188 25428 161 1 1 . 1 1 35 35 LEU CB C 35 38.642 38.642 42.032 -3.390 25428 162 1 1 . 1 1 36 36 ASP N N 36 122.922 122.922 119.977 2.945 25428 163 1 1 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.719 -0.294 25428 164 1 1 . 1 1 36 36 ASP C C 36 173.050 173.050 177.244 -4.194 25428 165 1 1 . 1 1 36 36 ASP CA C 36 49.746 49.746 53.308 -3.562 25428 166 1 1 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.173 -3.004 25428 167 1 1 . 1 1 37 37 GLU N N 37 119.277 119.277 121.326 -2.049 25428 168 1 1 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.080 -0.254 25428 169 1 1 . 1 1 37 37 GLU C C 37 175.878 175.878 178.337 -2.459 25428 170 1 1 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.591 -2.667 25428 171 1 1 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.805 -3.394 25428 172 1 1 . 1 1 38 38 ARG N N 38 117.965 117.965 117.882 0.083 25428 173 1 1 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.089 -0.157 25428 174 1 1 . 1 1 38 38 ARG C C 38 176.285 176.285 178.391 -2.106 25428 175 1 1 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.724 -2.918 25428 176 1 1 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.884 1.082 25428 177 1 1 . 1 1 39 39 ALA N N 39 123.247 123.247 123.893 -0.646 25428 178 1 1 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.209 -0.331 25428 179 1 1 . 1 1 39 39 ALA C C 39 175.872 175.872 179.382 -3.510 25428 180 1 1 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.787 -2.545 25428 181 1 1 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.794 -3.603 25428 182 1 1 . 1 1 40 40 ILE N N 40 116.462 116.462 118.150 -1.688 25428 183 1 1 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.723 -0.279 25428 184 1 1 . 1 1 40 40 ILE C C 40 175.056 175.056 178.474 -3.418 25428 185 1 1 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.486 -2.638 25428 186 1 1 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.260 -2.639 25428 187 1 1 . 1 1 41 41 GLU N N 41 117.817 117.817 120.084 -2.267 25428 188 1 1 . 1 1 41 41 GLU HA H 41 3.785 3.785 4.114 -0.329 25428 189 1 1 . 1 1 41 41 GLU C C 41 176.503 176.503 179.086 -2.583 25428 190 1 1 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.114 -2.703 25428 191 1 1 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.575 -3.215 25428 192 1 1 . 1 1 42 42 ALA N N 42 120.852 120.852 121.508 -0.656 25428 193 1 1 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.085 -0.017 25428 194 1 1 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.266 -2.289 25428 195 1 1 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.505 -3.176 25428 196 1 1 . 1 1 43 43 LEU N N 43 120.443 120.443 118.411 2.032 25428 197 1 1 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.239 -0.100 25428 198 1 1 . 1 1 43 43 LEU C C 43 176.351 176.351 179.298 -2.947 25428 199 1 1 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.627 -2.775 25428 200 1 1 . 1 1 43 43 LEU CB C 43 39.586 39.586 42.321 -2.735 25428 201 1 1 . 1 1 44 44 LYS N N 44 116.644 116.644 118.304 -1.660 25428 202 1 1 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.149 -0.124 25428 203 1 1 . 1 1 44 44 LYS C C 44 174.406 174.406 178.861 -4.455 25428 204 1 1 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.567 -3.136 25428 205 1 1 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.425 -2.752 25428 206 1 1 . 1 1 45 45 GLU N N 45 115.882 115.882 119.465 -3.583 25428 207 1 1 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.118 -0.104 25428 208 1 1 . 1 1 45 45 GLU C C 45 174.383 174.383 175.568 -1.185 25428 209 1 1 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.540 -2.259 25428 210 1 1 . 1 1 45 45 GLU CB C 45 26.997 26.997 28.506 -1.509 25428 211 1 1 . 1 1 46 46 PHE N N 46 118.293 118.293 118.963 -0.670 25428 212 1 1 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.655 -0.307 25428 213 1 1 . 1 1 46 46 PHE C C 46 173.933 173.933 174.648 -0.715 25428 214 1 1 . 1 1 46 46 PHE CA C 46 55.339 55.339 56.148 -0.809 25428 215 1 1 . 1 1 46 46 PHE CB C 46 38.417 38.417 42.440 -4.023 25428 216 1 1 . 1 1 47 47 ASN N N 47 117.552 117.552 120.722 -3.170 25428 217 1 1 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.762 -0.155 25428 218 1 1 . 1 1 47 47 ASN C C 47 172.500 172.500 176.183 -3.683 25428 219 1 1 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.786 -3.126 25428 220 1 1 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.353 -4.167 25428 221 1 1 . 1 1 48 48 GLU N N 48 121.194 121.194 120.020 1.174 25428 222 1 1 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.942 -0.264 25428 223 1 1 . 1 1 48 48 GLU C C 48 174.313 174.313 178.220 -3.907 25428 224 1 1 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.558 -2.172 25428 225 1 1 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.593 -1.999 25428 226 1 1 . 1 1 49 49 ASP N N 49 115.316 115.316 117.876 -2.560 25428 227 1 1 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.518 -0.295 25428 228 1 1 . 1 1 49 49 ASP C C 49 176.778 176.778 178.298 -1.520 25428 229 1 1 . 1 1 49 49 ASP CA C 49 54.688 54.688 56.761 -2.073 25428 230 1 1 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.085 -2.644 25428 231 1 1 . 1 1 50 50 GLY N N 50 109.745 109.745 108.906 0.839 25428 232 1 1 . 1 1 50 50 GLY C C 50 171.469 171.469 175.516 -4.047 25428 233 1 1 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.672 -2.331 25428 234 1 1 . 1 1 51 51 ALA N N 51 123.698 123.698 124.574 -0.876 25428 235 1 1 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.570 -0.203 25428 236 1 1 . 1 1 51 51 ALA C C 51 177.022 177.022 179.667 -2.645 25428 237 1 1 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.619 -2.456 25428 238 1 1 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.232 -1.422 25428 239 1 1 . 1 1 52 52 LEU N N 52 115.728 115.728 118.298 -2.570 25428 240 1 1 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.812 -0.024 25428 241 1 1 . 1 1 52 52 LEU C C 52 176.760 176.760 178.869 -2.109 25428 242 1 1 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.749 -2.488 25428 243 1 1 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.610 -3.604 25428 244 1 1 . 1 1 53 53 ALA N N 53 123.490 123.490 122.192 1.298 25428 245 1 1 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.940 0.080 25428 246 1 1 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.943 -2.505 25428 247 1 1 . 1 1 53 53 ALA CB C 53 15.446 15.446 18.017 -2.571 25428 248 1 1 . 1 1 54 54 VAL N N 54 119.648 119.648 118.452 1.196 25428 249 1 1 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.123 -0.045 25428 250 1 1 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.541 -3.592 25428 251 1 1 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.862 -2.505 25428 252 1 1 . 1 1 55 55 LEU N N 55 118.185 118.185 118.978 -0.793 25428 253 1 1 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.971 -0.130 25428 254 1 1 . 1 1 55 55 LEU C C 55 175.988 175.988 178.987 -2.999 25428 255 1 1 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.926 -3.271 25428 256 1 1 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.221 -2.371 25428 257 1 1 . 1 1 56 56 GLN N N 56 120.271 120.271 119.322 0.949 25428 258 1 1 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.870 -0.115 25428 259 1 1 . 1 1 56 56 GLN C C 56 174.357 174.357 178.267 -3.910 25428 260 1 1 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.513 -3.794 25428 261 1 1 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.483 -3.265 25428 262 1 1 . 1 1 57 57 GLN N N 57 117.610 117.610 118.630 -1.020 25428 263 1 1 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.207 -0.212 25428 264 1 1 . 1 1 57 57 GLN C C 57 177.125 177.125 178.250 -1.125 25428 265 1 1 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.754 -2.694 25428 266 1 1 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.962 -3.814 25428 267 1 1 . 1 1 58 58 PHE N N 58 120.365 120.365 120.331 0.034 25428 268 1 1 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.467 -0.267 25428 269 1 1 . 1 1 58 58 PHE C C 58 172.960 172.960 176.826 -3.866 25428 270 1 1 . 1 1 58 58 PHE CA C 58 58.622 58.622 60.544 -1.923 25428 271 1 1 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.394 -2.085 25428 272 1 1 . 1 1 59 59 LYS N N 59 117.757 117.757 118.897 -1.140 25428 273 1 1 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.844 -0.217 25428 274 1 1 . 1 1 59 59 LYS C C 59 174.015 174.015 178.829 -4.814 25428 275 1 1 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.554 -2.327 25428 276 1 1 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.663 -3.184 25428 277 1 1 . 1 1 60 60 ASP N N 60 116.580 116.580 120.501 -3.921 25428 278 1 1 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.681 -0.051 25428 279 1 1 . 1 1 60 60 ASP C C 60 174.154 174.154 175.774 -1.620 25428 280 1 1 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.829 -3.075 25428 281 1 1 . 1 1 60 60 ASP CB C 60 38.013 38.013 39.380 -1.367 25428 282 1 1 . 1 1 61 61 SER N N 61 117.142 117.142 114.341 2.801 25428 283 1 1 . 1 1 61 61 SER HA H 61 4.383 4.383 4.697 -0.314 25428 284 1 1 . 1 1 61 61 SER C C 61 169.538 169.538 173.113 -3.575 25428 285 1 1 . 1 1 61 61 SER CA C 61 56.682 56.682 57.443 -0.761 25428 286 1 1 . 1 1 61 61 SER CB C 61 61.698 61.698 65.758 -4.061 25428 287 1 1 . 1 1 62 62 ASP N N 62 120.580 120.580 121.276 -0.696 25428 288 1 1 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.761 -0.211 25428 289 1 1 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.558 -3.292 25428 290 1 1 . 1 1 62 62 ASP CB C 62 36.179 36.179 41.227 -5.048 25428 291 1 1 . 1 1 63 63 LEU N N 63 126.269 126.269 126.843 -0.574 25428 292 1 1 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.304 -0.493 25428 293 1 1 . 1 1 63 63 LEU CA C 63 51.921 51.921 54.094 -2.173 25428 294 1 1 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.178 -2.175 25428 295 1 1 . 1 1 64 64 SER N N 64 116.388 116.388 117.119 -0.731 25428 296 1 1 . 1 1 64 64 SER HA H 64 3.862 3.862 4.237 -0.375 25428 297 1 1 . 1 1 64 64 SER C C 64 172.812 172.812 175.718 -2.906 25428 298 1 1 . 1 1 64 64 SER CA C 64 58.914 58.914 60.771 -1.857 25428 299 1 1 . 1 1 64 64 SER CB C 64 59.851 59.851 63.503 -3.652 25428 300 1 1 . 1 1 65 65 HIS N N 65 117.601 117.601 119.230 -1.629 25428 301 1 1 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.580 0.133 25428 302 1 1 . 1 1 65 65 HIS C C 65 171.008 171.008 174.559 -3.551 25428 303 1 1 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.998 -3.762 25428 304 1 1 . 1 1 65 65 HIS CB C 65 25.765 25.765 29.131 -3.366 25428 305 1 1 . 1 1 66 66 VAL N N 66 121.466 121.466 119.082 2.384 25428 306 1 1 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.457 -0.600 25428 307 1 1 . 1 1 66 66 VAL C C 66 172.336 172.336 175.659 -3.323 25428 308 1 1 . 1 1 66 66 VAL CA C 66 59.147 59.147 60.492 -1.345 25428 309 1 1 . 1 1 66 66 VAL CB C 66 29.577 29.577 34.244 -4.667 25428 310 1 1 . 1 1 67 67 GLN N N 67 127.282 127.282 122.647 4.635 25428 311 1 1 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.423 -0.274 25428 312 1 1 . 1 1 67 67 GLN CA C 67 55.100 55.100 56.070 -0.970 25428 313 1 1 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.726 -2.411 25428 314 1 1 . 1 1 68 68 ASN N N 68 117.044 117.044 120.490 -3.446 25428 315 1 1 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.601 0.334 25428 316 1 1 . 1 1 68 68 ASN CA C 68 48.730 48.730 53.193 -4.463 25428 317 1 1 . 1 1 68 68 ASN CB C 68 35.131 35.131 36.525 -1.394 25428 318 1 1 . 1 1 69 69 LYS N N 69 125.145 125.145 122.582 2.563 25428 319 1 1 . 1 1 69 69 LYS HA H 69 3.933 3.933 3.984 -0.051 25428 320 1 1 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.068 -1.463 25428 321 1 1 . 1 1 69 69 LYS CB C 69 30.295 30.295 31.671 -1.376 25428 322 1 1 . 1 1 70 70 SER N N 70 116.020 116.020 114.752 1.268 25428 323 1 1 . 1 1 70 70 SER HA H 70 4.220 4.220 4.148 0.072 25428 324 1 1 . 1 1 70 70 SER CA C 70 59.898 59.898 61.587 -1.690 25428 325 1 1 . 1 1 70 70 SER CB C 70 59.848 59.848 62.333 -2.485 25428 326 1 1 . 1 1 71 71 ALA N N 71 123.444 123.444 125.277 -1.833 25428 327 1 1 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.156 -0.182 25428 328 1 1 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.580 -2.710 25428 329 1 1 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.149 -3.082 25428 330 1 1 . 1 1 72 72 PHE N N 72 120.178 120.178 119.704 0.474 25428 331 1 1 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.247 -0.105 25428 332 1 1 . 1 1 72 72 PHE C C 72 175.653 175.653 177.039 -1.386 25428 333 1 1 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.747 -2.830 25428 334 1 1 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.457 -2.103 25428 335 1 1 . 1 1 73 73 LEU N N 73 121.921 121.921 121.722 0.199 25428 336 1 1 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.925 -0.172 25428 337 1 1 . 1 1 73 73 LEU C C 73 175.921 175.921 178.323 -2.402 25428 338 1 1 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.267 -2.583 25428 339 1 1 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.276 -3.852 25428 340 1 1 . 1 1 74 74 CYS N N 74 116.964 116.964 117.641 -0.677 25428 341 1 1 . 1 1 74 74 CYS HA H 74 4.112 4.112 3.968 0.144 25428 342 1 1 . 1 1 74 74 CYS C C 74 174.901 174.901 177.265 -2.364 25428 343 1 1 . 1 1 74 74 CYS CA C 74 61.104 61.104 64.260 -3.156 25428 344 1 1 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.946 -3.314 25428 345 1 1 . 1 1 75 75 GLY N N 75 110.524 110.524 108.210 2.314 25428 346 1 1 . 1 1 75 75 GLY C C 75 173.633 173.633 175.580 -1.947 25428 347 1 1 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.161 -2.776 25428 348 1 1 . 1 1 76 76 VAL N N 76 124.398 124.398 123.831 0.567 25428 349 1 1 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.599 -0.088 25428 350 1 1 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.368 -2.977 25428 351 1 1 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.824 -3.325 25428 352 1 1 . 1 1 77 77 MET N N 77 118.057 118.057 118.102 -0.045 25428 353 1 1 . 1 1 77 77 MET HA H 77 3.755 3.755 4.160 -0.405 25428 354 1 1 . 1 1 77 77 MET CA C 77 57.770 57.770 59.781 -2.011 25428 355 1 1 . 1 1 77 77 MET CB C 77 31.029 31.029 32.292 -1.263 25428 356 1 1 . 1 1 78 78 LYS N N 78 118.765 118.765 119.010 -0.245 25428 357 1 1 . 1 1 78 78 LYS HA H 78 3.967 3.967 3.971 -0.004 25428 358 1 1 . 1 1 78 78 LYS CA C 78 57.157 57.157 60.129 -2.972 25428 359 1 1 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.502 -2.910 25428 360 1 1 . 1 1 79 79 THR N N 79 114.076 114.076 114.831 -0.755 25428 361 1 1 . 1 1 79 79 THR HA H 79 3.893 3.893 4.064 -0.171 25428 362 1 1 . 1 1 79 79 THR CA C 79 62.715 62.715 66.152 -3.437 25428 363 1 1 . 1 1 79 79 THR CB C 79 65.978 65.978 68.419 -2.441 25428 364 1 1 . 1 1 80 80 TYR N N 80 123.194 123.194 119.519 3.675 25428 365 1 1 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.366 -0.348 25428 366 1 1 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.702 -2.870 25428 367 1 1 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.761 -2.602 25428 368 1 1 . 1 1 81 81 ARG N N 81 118.541 118.541 117.165 1.376 25428 369 1 1 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.263 -0.207 25428 370 1 1 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.686 -2.497 25428 371 1 1 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.273 -2.603 25428 372 1 1 . 1 1 82 82 GLN N N 82 117.664 117.664 120.599 -2.935 25428 373 1 1 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.468 -0.357 25428 374 1 1 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.507 -1.627 25428 375 1 1 . 1 1 82 82 GLN CB C 82 25.988 25.988 28.195 -2.207 25428 376 1 1 . 1 1 83 83 ARG N N 83 119.552 119.552 122.103 -2.551 25428 377 1 1 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.525 -0.410 25428 378 1 1 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.691 -1.802 25428 379 1 1 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.663 -2.852 25428 380 1 1 . 1 1 84 84 GLU N N 84 121.362 121.362 121.855 -0.493 25428 381 1 1 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.564 -0.431 25428 382 1 1 . 1 1 84 84 GLU CA C 84 53.838 53.838 56.303 -2.465 25428 383 1 1 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.912 -3.467 25428 384 1 2 . 1 1 2 2 SER N N 2 119.046 119.046 114.876 4.170 25428 385 1 2 . 1 1 2 2 SER HA H 2 4.509 4.509 4.865 -0.356 25428 386 1 2 . 1 1 2 2 SER C C 2 172.827 172.827 175.143 -2.316 25428 387 1 2 . 1 1 2 2 SER CA C 2 55.872 55.872 56.212 -0.340 25428 388 1 2 . 1 1 2 2 SER CB C 2 61.645 61.645 64.317 -2.672 25428 389 1 2 . 1 1 3 3 GLU N N 3 121.401 121.401 120.381 1.020 25428 390 1 2 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.127 0.045 25428 391 1 2 . 1 1 3 3 GLU C C 3 174.375 174.375 178.025 -3.650 25428 392 1 2 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.005 -3.360 25428 393 1 2 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.395 -3.132 25428 394 1 2 . 1 1 4 4 ASN N N 4 117.467 117.467 118.332 -0.865 25428 395 1 2 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.468 0.071 25428 396 1 2 . 1 1 4 4 ASN C C 4 172.792 172.792 176.819 -4.027 25428 397 1 2 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.586 -4.018 25428 398 1 2 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.330 -1.702 25428 399 1 2 . 1 1 5 5 PHE N N 5 121.588 121.588 120.344 1.244 25428 400 1 2 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.066 -0.087 25428 401 1 2 . 1 1 5 5 PHE CA C 5 58.679 58.679 62.351 -3.672 25428 402 1 2 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.688 -2.462 25428 403 1 2 . 1 1 6 6 GLN N N 6 117.868 117.868 117.578 0.290 25428 404 1 2 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.775 -0.297 25428 405 1 2 . 1 1 6 6 GLN C C 6 174.670 174.670 177.870 -3.200 25428 406 1 2 . 1 1 6 6 GLN CA C 6 55.301 55.301 59.350 -4.049 25428 407 1 2 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.729 -2.472 25428 408 1 2 . 1 1 7 7 THR N N 7 114.124 114.124 116.520 -2.396 25428 409 1 2 . 1 1 7 7 THR HA H 7 3.862 3.862 3.984 -0.122 25428 410 1 2 . 1 1 7 7 THR C C 7 173.949 173.949 176.592 -2.643 25428 411 1 2 . 1 1 7 7 THR CA C 7 62.909 62.909 66.496 -3.587 25428 412 1 2 . 1 1 7 7 THR CB C 7 65.814 65.814 68.260 -2.446 25428 413 1 2 . 1 1 8 8 LEU N N 8 121.809 121.809 121.920 -0.111 25428 414 1 2 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.141 -0.248 25428 415 1 2 . 1 1 8 8 LEU C C 8 175.915 175.915 178.137 -2.222 25428 416 1 2 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.521 -2.909 25428 417 1 2 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.327 -2.300 25428 418 1 2 . 1 1 9 9 LEU N N 9 119.407 119.407 119.683 -0.276 25428 419 1 2 . 1 1 9 9 LEU HA H 9 3.999 3.999 3.998 0.001 25428 420 1 2 . 1 1 9 9 LEU C C 9 179.642 179.642 179.862 -0.220 25428 421 1 2 . 1 1 9 9 LEU CA C 9 54.393 54.393 57.671 -3.278 25428 422 1 2 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.393 -3.050 25428 423 1 2 . 1 1 10 10 ASP N N 10 122.019 122.019 118.820 3.199 25428 424 1 2 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.486 -0.257 25428 425 1 2 . 1 1 10 10 ASP C C 10 174.743 174.743 177.030 -2.287 25428 426 1 2 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.912 -2.083 25428 427 1 2 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.063 -4.098 25428 428 1 2 . 1 1 11 11 ALA N N 11 121.088 121.088 119.917 1.171 25428 429 1 2 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.296 -0.088 25428 430 1 2 . 1 1 11 11 ALA C C 11 174.553 174.553 177.563 -3.010 25428 431 1 2 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.448 -2.766 25428 432 1 2 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.824 -3.433 25428 433 1 2 . 1 1 12 12 GLY N N 12 104.096 104.096 105.098 -1.002 25428 434 1 2 . 1 1 12 12 GLY C C 12 172.183 172.183 174.537 -2.354 25428 435 1 2 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.718 -2.568 25428 436 1 2 . 1 1 13 13 LEU N N 13 120.523 120.523 122.257 -1.734 25428 437 1 2 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.700 -0.335 25428 438 1 2 . 1 1 13 13 LEU CA C 13 50.153 50.153 52.273 -2.120 25428 439 1 2 . 1 1 13 13 LEU CB C 13 38.486 38.486 41.905 -3.419 25428 440 1 2 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.486 -0.135 25428 441 1 2 . 1 1 14 14 PRO C C 14 174.611 174.611 177.809 -3.198 25428 442 1 2 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.589 -2.861 25428 443 1 2 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.692 -2.889 25428 444 1 2 . 1 1 15 15 GLN N N 15 124.429 124.429 124.037 0.392 25428 445 1 2 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.916 -0.227 25428 446 1 2 . 1 1 15 15 GLN C C 15 174.848 174.848 177.770 -2.922 25428 447 1 2 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.553 -2.703 25428 448 1 2 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.676 -3.343 25428 449 1 2 . 1 1 16 16 LYS N N 16 115.638 115.638 118.097 -2.459 25428 450 1 2 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.086 -0.064 25428 451 1 2 . 1 1 16 16 LYS C C 16 176.800 176.800 178.978 -2.178 25428 452 1 2 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.510 -2.886 25428 453 1 2 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.464 -1.627 25428 454 1 2 . 1 1 17 17 VAL N N 17 118.513 118.513 118.951 -0.438 25428 455 1 2 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.688 -0.298 25428 456 1 2 . 1 1 17 17 VAL C C 17 173.946 173.946 177.841 -3.895 25428 457 1 2 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.791 -2.980 25428 458 1 2 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.212 -2.124 25428 459 1 2 . 1 1 18 18 ALA N N 18 121.811 121.811 122.166 -0.355 25428 460 1 2 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.978 -0.245 25428 461 1 2 . 1 1 18 18 ALA C C 18 176.571 176.571 179.924 -3.353 25428 462 1 2 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.681 -3.162 25428 463 1 2 . 1 1 18 18 ALA CB C 18 15.616 15.616 18.161 -2.545 25428 464 1 2 . 1 1 19 19 GLU N N 19 116.183 116.183 117.287 -1.104 25428 465 1 2 . 1 1 19 19 GLU HA H 19 3.913 3.913 3.903 0.010 25428 466 1 2 . 1 1 19 19 GLU C C 19 176.184 176.184 179.468 -3.284 25428 467 1 2 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.475 -2.643 25428 468 1 2 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.460 -2.346 25428 469 1 2 . 1 1 20 20 LYS N N 20 120.202 120.202 118.847 1.355 25428 470 1 2 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.136 -0.073 25428 471 1 2 . 1 1 20 20 LYS C C 20 175.707 175.707 179.091 -3.384 25428 472 1 2 . 1 1 20 20 LYS CA C 20 54.340 54.340 58.347 -4.007 25428 473 1 2 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.216 -5.064 25428 474 1 2 . 1 1 21 21 LEU N N 21 120.188 120.188 120.098 0.090 25428 475 1 2 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.105 -0.201 25428 476 1 2 . 1 1 21 21 LEU C C 21 175.138 175.138 178.754 -3.616 25428 477 1 2 . 1 1 21 21 LEU CA C 21 54.762 54.762 57.095 -2.333 25428 478 1 2 . 1 1 21 21 LEU CB C 21 38.389 38.389 41.872 -3.483 25428 479 1 2 . 1 1 22 22 ASP N N 22 118.729 118.729 120.400 -1.671 25428 480 1 2 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.567 -0.142 25428 481 1 2 . 1 1 22 22 ASP C C 22 175.147 175.147 178.614 -3.467 25428 482 1 2 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.734 -2.458 25428 483 1 2 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.866 -1.563 25428 484 1 2 . 1 1 23 23 GLU N N 23 117.201 117.201 118.872 -1.671 25428 485 1 2 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.075 -0.186 25428 486 1 2 . 1 1 23 23 GLU C C 23 177.140 177.140 178.757 -1.617 25428 487 1 2 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.018 -2.269 25428 488 1 2 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.545 -2.504 25428 489 1 2 . 1 1 24 24 ILE N N 24 121.465 121.465 118.314 3.151 25428 490 1 2 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.691 -0.084 25428 491 1 2 . 1 1 24 24 ILE C C 24 174.918 174.918 177.382 -2.464 25428 492 1 2 . 1 1 24 24 ILE CA C 24 63.184 63.184 63.988 -0.804 25428 493 1 2 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.749 -2.782 25428 494 1 2 . 1 1 25 25 TYR N N 25 120.955 120.955 117.156 3.799 25428 495 1 2 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.947 -0.135 25428 496 1 2 . 1 1 25 25 TYR C C 25 179.018 179.018 178.140 0.878 25428 497 1 2 . 1 1 25 25 TYR CA C 25 56.172 56.172 58.773 -2.601 25428 498 1 2 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.292 -3.873 25428 499 1 2 . 1 1 26 26 VAL N N 26 123.429 123.429 118.901 4.528 25428 500 1 2 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.937 -0.346 25428 501 1 2 . 1 1 26 26 VAL C C 26 175.383 175.383 176.974 -1.591 25428 502 1 2 . 1 1 26 26 VAL CA C 26 63.501 63.501 64.099 -0.598 25428 503 1 2 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.761 -2.768 25428 504 1 2 . 1 1 27 27 ALA N N 27 120.082 120.082 120.528 -0.446 25428 505 1 2 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.482 -0.277 25428 506 1 2 . 1 1 27 27 ALA C C 27 175.640 175.640 177.805 -2.165 25428 507 1 2 . 1 1 27 27 ALA CA C 27 50.270 50.270 51.551 -1.281 25428 508 1 2 . 1 1 27 27 ALA CB C 27 15.992 15.992 18.750 -2.758 25428 509 1 2 . 1 1 28 28 GLY N N 28 105.543 105.543 107.806 -2.263 25428 510 1 2 . 1 1 28 28 GLY C C 28 172.315 172.315 175.035 -2.720 25428 511 1 2 . 1 1 28 28 GLY CA C 28 42.539 42.539 46.321 -3.782 25428 512 1 2 . 1 1 29 29 LEU N N 29 119.155 119.155 119.120 0.035 25428 513 1 2 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.233 -0.228 25428 514 1 2 . 1 1 29 29 LEU C C 29 173.807 173.807 176.565 -2.758 25428 515 1 2 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.738 -2.658 25428 516 1 2 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.789 -3.003 25428 517 1 2 . 1 1 30 30 VAL N N 30 109.334 109.334 109.759 -0.425 25428 518 1 2 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.629 -0.413 25428 519 1 2 . 1 1 30 30 VAL C C 30 170.244 170.244 174.711 -4.467 25428 520 1 2 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.614 -3.170 25428 521 1 2 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.548 -2.183 25428 522 1 2 . 1 1 31 31 ALA N N 31 126.238 126.238 123.461 2.777 25428 523 1 2 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.843 -0.284 25428 524 1 2 . 1 1 31 31 ALA C C 31 176.016 176.016 178.544 -2.528 25428 525 1 2 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.827 -3.357 25428 526 1 2 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.606 -2.566 25428 527 1 2 . 1 1 32 32 HIS N N 32 120.680 120.680 117.834 2.846 25428 528 1 2 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.447 0.543 25428 529 1 2 . 1 1 32 32 HIS C C 32 174.379 174.379 174.738 -0.359 25428 530 1 2 . 1 1 32 32 HIS CA C 32 56.668 56.668 57.960 -1.292 25428 531 1 2 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.126 -2.674 25428 532 1 2 . 1 1 33 33 SER N N 33 109.997 109.997 111.994 -1.997 25428 533 1 2 . 1 1 33 33 SER HA H 33 4.125 4.125 4.480 -0.355 25428 534 1 2 . 1 1 33 33 SER C C 33 172.444 172.444 174.615 -2.171 25428 535 1 2 . 1 1 33 33 SER CA C 33 56.158 56.158 57.294 -1.136 25428 536 1 2 . 1 1 33 33 SER CB C 33 60.045 60.045 63.539 -3.494 25428 537 1 2 . 1 1 34 34 ASP N N 34 119.785 119.785 122.414 -2.629 25428 538 1 2 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.712 -0.192 25428 539 1 2 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.220 -1.704 25428 540 1 2 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.460 -1.970 25428 541 1 2 . 1 1 35 35 LEU N N 35 118.248 118.248 118.952 -0.704 25428 542 1 2 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.598 -0.145 25428 543 1 2 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.474 -4.110 25428 544 1 2 . 1 1 35 35 LEU CB C 35 38.642 38.642 43.118 -4.476 25428 545 1 2 . 1 1 36 36 ASP N N 36 122.922 122.922 116.545 6.377 25428 546 1 2 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.832 -0.407 25428 547 1 2 . 1 1 36 36 ASP C C 36 173.050 173.050 176.411 -3.361 25428 548 1 2 . 1 1 36 36 ASP CA C 36 49.746 49.746 52.264 -2.518 25428 549 1 2 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.148 -2.979 25428 550 1 2 . 1 1 37 37 GLU N N 37 119.277 119.277 119.019 0.258 25428 551 1 2 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.092 -0.266 25428 552 1 2 . 1 1 37 37 GLU C C 37 175.878 175.878 178.454 -2.576 25428 553 1 2 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.590 -2.666 25428 554 1 2 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.775 -3.364 25428 555 1 2 . 1 1 38 38 ARG N N 38 117.965 117.965 118.707 -0.742 25428 556 1 2 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.057 -0.125 25428 557 1 2 . 1 1 38 38 ARG C C 38 176.285 176.285 178.489 -2.204 25428 558 1 2 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.891 -3.085 25428 559 1 2 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.855 1.111 25428 560 1 2 . 1 1 39 39 ALA N N 39 123.247 123.247 123.134 0.113 25428 561 1 2 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.154 -0.276 25428 562 1 2 . 1 1 39 39 ALA C C 39 175.872 175.872 179.356 -3.484 25428 563 1 2 . 1 1 39 39 ALA CA C 39 52.242 52.242 55.262 -3.020 25428 564 1 2 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.359 -3.168 25428 565 1 2 . 1 1 40 40 ILE N N 40 116.462 116.462 119.114 -2.652 25428 566 1 2 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.796 -0.352 25428 567 1 2 . 1 1 40 40 ILE C C 40 175.056 175.056 178.448 -3.392 25428 568 1 2 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.297 -2.449 25428 569 1 2 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.474 -2.853 25428 570 1 2 . 1 1 41 41 GLU N N 41 117.817 117.817 120.814 -2.997 25428 571 1 2 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.894 -0.109 25428 572 1 2 . 1 1 41 41 GLU C C 41 176.503 176.503 178.674 -2.171 25428 573 1 2 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.520 -3.109 25428 574 1 2 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.304 -2.944 25428 575 1 2 . 1 1 42 42 ALA N N 42 120.852 120.852 121.562 -0.710 25428 576 1 2 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.113 -0.045 25428 577 1 2 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.588 -2.611 25428 578 1 2 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.368 -3.039 25428 579 1 2 . 1 1 43 43 LEU N N 43 120.443 120.443 119.050 1.393 25428 580 1 2 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.054 0.085 25428 581 1 2 . 1 1 43 43 LEU C C 43 176.351 176.351 179.487 -3.136 25428 582 1 2 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.848 -2.995 25428 583 1 2 . 1 1 43 43 LEU CB C 43 39.586 39.586 42.116 -2.530 25428 584 1 2 . 1 1 44 44 LYS N N 44 116.644 116.644 118.970 -2.326 25428 585 1 2 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.070 -0.045 25428 586 1 2 . 1 1 44 44 LYS C C 44 174.406 174.406 179.327 -4.921 25428 587 1 2 . 1 1 44 44 LYS CA C 44 55.431 55.431 59.215 -3.784 25428 588 1 2 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.512 -2.839 25428 589 1 2 . 1 1 45 45 GLU N N 45 115.882 115.882 119.659 -3.777 25428 590 1 2 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.171 -0.157 25428 591 1 2 . 1 1 45 45 GLU C C 45 174.383 174.383 175.572 -1.189 25428 592 1 2 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.294 -2.013 25428 593 1 2 . 1 1 45 45 GLU CB C 45 26.997 26.997 28.509 -1.512 25428 594 1 2 . 1 1 46 46 PHE N N 46 118.293 118.293 118.647 -0.354 25428 595 1 2 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.601 -0.253 25428 596 1 2 . 1 1 46 46 PHE C C 46 173.933 173.933 173.938 -0.005 25428 597 1 2 . 1 1 46 46 PHE CA C 46 55.339 55.339 56.651 -1.312 25428 598 1 2 . 1 1 46 46 PHE CB C 46 38.417 38.417 42.222 -3.805 25428 599 1 2 . 1 1 47 47 ASN N N 47 117.552 117.552 121.305 -3.753 25428 600 1 2 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.693 -0.086 25428 601 1 2 . 1 1 47 47 ASN C C 47 172.500 172.500 176.316 -3.816 25428 602 1 2 . 1 1 47 47 ASN CA C 47 49.660 49.660 53.091 -3.431 25428 603 1 2 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.218 -4.032 25428 604 1 2 . 1 1 48 48 GLU N N 48 121.194 121.194 120.468 0.726 25428 605 1 2 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.897 -0.219 25428 606 1 2 . 1 1 48 48 GLU C C 48 174.313 174.313 178.329 -4.016 25428 607 1 2 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.678 -2.292 25428 608 1 2 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.582 -1.988 25428 609 1 2 . 1 1 49 49 ASP N N 49 115.316 115.316 117.785 -2.469 25428 610 1 2 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.496 -0.273 25428 611 1 2 . 1 1 49 49 ASP C C 49 176.778 176.778 178.264 -1.486 25428 612 1 2 . 1 1 49 49 ASP CA C 49 54.688 54.688 57.519 -2.831 25428 613 1 2 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.237 -2.796 25428 614 1 2 . 1 1 50 50 GLY N N 50 109.745 109.745 108.111 1.634 25428 615 1 2 . 1 1 50 50 GLY C C 50 171.469 171.469 175.340 -3.871 25428 616 1 2 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.360 -2.019 25428 617 1 2 . 1 1 51 51 ALA N N 51 123.698 123.698 124.673 -0.975 25428 618 1 2 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.578 -0.211 25428 619 1 2 . 1 1 51 51 ALA C C 51 177.022 177.022 179.496 -2.474 25428 620 1 2 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.694 -2.531 25428 621 1 2 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.196 -1.386 25428 622 1 2 . 1 1 52 52 LEU N N 52 115.728 115.728 118.776 -3.048 25428 623 1 2 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.910 -0.122 25428 624 1 2 . 1 1 52 52 LEU C C 52 176.760 176.760 178.720 -1.960 25428 625 1 2 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.466 -2.205 25428 626 1 2 . 1 1 52 52 LEU CB C 52 38.006 38.006 40.578 -2.572 25428 627 1 2 . 1 1 53 53 ALA N N 53 123.490 123.490 122.024 1.466 25428 628 1 2 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.852 0.168 25428 629 1 2 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.719 -2.281 25428 630 1 2 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.839 -2.393 25428 631 1 2 . 1 1 54 54 VAL N N 54 119.648 119.648 117.703 1.945 25428 632 1 2 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.345 -0.267 25428 633 1 2 . 1 1 54 54 VAL CA C 54 62.949 62.949 65.798 -2.849 25428 634 1 2 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.550 -2.193 25428 635 1 2 . 1 1 55 55 LEU N N 55 118.185 118.185 118.454 -0.269 25428 636 1 2 . 1 1 55 55 LEU HA H 55 3.841 3.841 4.043 -0.202 25428 637 1 2 . 1 1 55 55 LEU C C 55 175.988 175.988 179.056 -3.068 25428 638 1 2 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.537 -2.882 25428 639 1 2 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.698 -2.848 25428 640 1 2 . 1 1 56 56 GLN N N 56 120.271 120.271 118.831 1.440 25428 641 1 2 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.881 -0.126 25428 642 1 2 . 1 1 56 56 GLN C C 56 174.357 174.357 178.444 -4.087 25428 643 1 2 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.194 -3.475 25428 644 1 2 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.189 -2.972 25428 645 1 2 . 1 1 57 57 GLN N N 57 117.610 117.610 117.691 -0.081 25428 646 1 2 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.322 -0.327 25428 647 1 2 . 1 1 57 57 GLN C C 57 177.125 177.125 177.521 -0.396 25428 648 1 2 . 1 1 57 57 GLN CA C 57 56.060 56.060 56.946 -0.886 25428 649 1 2 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.956 -3.808 25428 650 1 2 . 1 1 58 58 PHE N N 58 120.365 120.365 121.091 -0.726 25428 651 1 2 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.384 -0.184 25428 652 1 2 . 1 1 58 58 PHE C C 58 172.960 172.960 176.868 -3.908 25428 653 1 2 . 1 1 58 58 PHE CA C 58 58.622 58.622 60.444 -1.821 25428 654 1 2 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.279 -1.970 25428 655 1 2 . 1 1 59 59 LYS N N 59 117.757 117.757 117.298 0.459 25428 656 1 2 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.851 -0.224 25428 657 1 2 . 1 1 59 59 LYS C C 59 174.015 174.015 178.311 -4.296 25428 658 1 2 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.013 -1.786 25428 659 1 2 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.631 -3.153 25428 660 1 2 . 1 1 60 60 ASP N N 60 116.580 116.580 120.283 -3.703 25428 661 1 2 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.742 -0.112 25428 662 1 2 . 1 1 60 60 ASP C C 60 174.154 174.154 175.457 -1.303 25428 663 1 2 . 1 1 60 60 ASP CA C 60 51.754 51.754 53.999 -2.245 25428 664 1 2 . 1 1 60 60 ASP CB C 60 38.013 38.013 39.878 -1.865 25428 665 1 2 . 1 1 61 61 SER N N 61 117.142 117.142 114.440 2.702 25428 666 1 2 . 1 1 61 61 SER HA H 61 4.383 4.383 4.622 -0.239 25428 667 1 2 . 1 1 61 61 SER C C 61 169.538 169.538 172.836 -3.298 25428 668 1 2 . 1 1 61 61 SER CA C 61 56.682 56.682 57.660 -0.978 25428 669 1 2 . 1 1 61 61 SER CB C 61 61.698 61.698 65.332 -3.634 25428 670 1 2 . 1 1 62 62 ASP N N 62 120.580 120.580 121.504 -0.924 25428 671 1 2 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.745 -0.195 25428 672 1 2 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.417 -3.151 25428 673 1 2 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.975 -4.796 25428 674 1 2 . 1 1 63 63 LEU N N 63 126.269 126.269 125.855 0.414 25428 675 1 2 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.334 -0.523 25428 676 1 2 . 1 1 63 63 LEU CA C 63 51.921 51.921 53.849 -1.928 25428 677 1 2 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.428 -2.425 25428 678 1 2 . 1 1 64 64 SER N N 64 116.388 116.388 116.369 0.019 25428 679 1 2 . 1 1 64 64 SER HA H 64 3.862 3.862 4.247 -0.385 25428 680 1 2 . 1 1 64 64 SER C C 64 172.812 172.812 175.013 -2.201 25428 681 1 2 . 1 1 64 64 SER CA C 64 58.914 58.914 60.167 -1.253 25428 682 1 2 . 1 1 64 64 SER CB C 64 59.851 59.851 63.211 -3.360 25428 683 1 2 . 1 1 65 65 HIS N N 65 117.601 117.601 118.389 -0.788 25428 684 1 2 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.716 -0.003 25428 685 1 2 . 1 1 65 65 HIS C C 65 171.008 171.008 173.879 -2.871 25428 686 1 2 . 1 1 65 65 HIS CA C 65 52.236 52.236 54.642 -2.406 25428 687 1 2 . 1 1 65 65 HIS CB C 65 25.765 25.765 31.082 -5.317 25428 688 1 2 . 1 1 66 66 VAL N N 66 121.466 121.466 121.226 0.240 25428 689 1 2 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.222 -0.365 25428 690 1 2 . 1 1 66 66 VAL C C 66 172.336 172.336 176.155 -3.819 25428 691 1 2 . 1 1 66 66 VAL CA C 66 59.147 59.147 61.536 -2.389 25428 692 1 2 . 1 1 66 66 VAL CB C 66 29.577 29.577 33.625 -4.048 25428 693 1 2 . 1 1 67 67 GLN N N 67 127.282 127.282 125.747 1.535 25428 694 1 2 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.345 -0.196 25428 695 1 2 . 1 1 67 67 GLN CA C 67 55.100 55.100 57.224 -2.124 25428 696 1 2 . 1 1 67 67 GLN CB C 67 26.315 26.315 29.215 -2.900 25428 697 1 2 . 1 1 68 68 ASN N N 68 117.044 117.044 117.734 -0.690 25428 698 1 2 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.912 0.023 25428 699 1 2 . 1 1 68 68 ASN CA C 68 48.730 48.730 52.403 -3.673 25428 700 1 2 . 1 1 68 68 ASN CB C 68 35.131 35.131 40.552 -5.421 25428 701 1 2 . 1 1 69 69 LYS N N 69 125.145 125.145 123.532 1.613 25428 702 1 2 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.234 -0.301 25428 703 1 2 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.043 -1.438 25428 704 1 2 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.215 -1.919 25428 705 1 2 . 1 1 70 70 SER N N 70 116.020 116.020 114.841 1.179 25428 706 1 2 . 1 1 70 70 SER HA H 70 4.220 4.220 4.230 -0.010 25428 707 1 2 . 1 1 70 70 SER CA C 70 59.898 59.898 61.737 -1.839 25428 708 1 2 . 1 1 70 70 SER CB C 70 59.848 59.848 62.439 -2.591 25428 709 1 2 . 1 1 71 71 ALA N N 71 123.444 123.444 124.107 -0.663 25428 710 1 2 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.257 -0.283 25428 711 1 2 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.311 -2.441 25428 712 1 2 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.098 -3.031 25428 713 1 2 . 1 1 72 72 PHE N N 72 120.178 120.178 120.715 -0.537 25428 714 1 2 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.336 -0.194 25428 715 1 2 . 1 1 72 72 PHE C C 72 175.653 175.653 176.886 -1.233 25428 716 1 2 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.749 -2.832 25428 717 1 2 . 1 1 72 72 PHE CB C 72 37.354 37.354 40.060 -2.706 25428 718 1 2 . 1 1 73 73 LEU N N 73 121.921 121.921 121.968 -0.047 25428 719 1 2 . 1 1 73 73 LEU HA H 73 3.753 3.753 4.024 -0.271 25428 720 1 2 . 1 1 73 73 LEU C C 73 175.921 175.921 178.166 -2.245 25428 721 1 2 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.602 -2.918 25428 722 1 2 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.720 -4.296 25428 723 1 2 . 1 1 74 74 CYS N N 74 116.964 116.964 116.095 0.869 25428 724 1 2 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.160 -0.048 25428 725 1 2 . 1 1 74 74 CYS C C 74 174.901 174.901 176.962 -2.061 25428 726 1 2 . 1 1 74 74 CYS CA C 74 61.104 61.104 61.702 -0.598 25428 727 1 2 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.237 -2.605 25428 728 1 2 . 1 1 75 75 GLY N N 75 110.524 110.524 109.856 0.668 25428 729 1 2 . 1 1 75 75 GLY C C 75 173.633 173.633 175.657 -2.024 25428 730 1 2 . 1 1 75 75 GLY CA C 75 44.385 44.385 46.865 -2.481 25428 731 1 2 . 1 1 76 76 VAL N N 76 124.398 124.398 123.345 1.053 25428 732 1 2 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.672 -0.161 25428 733 1 2 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.247 -2.856 25428 734 1 2 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.593 -3.094 25428 735 1 2 . 1 1 77 77 MET N N 77 118.057 118.057 117.817 0.240 25428 736 1 2 . 1 1 77 77 MET HA H 77 3.755 3.755 4.213 -0.458 25428 737 1 2 . 1 1 77 77 MET CA C 77 57.770 57.770 60.082 -2.312 25428 738 1 2 . 1 1 77 77 MET CB C 77 31.029 31.029 32.074 -1.045 25428 739 1 2 . 1 1 78 78 LYS N N 78 118.765 118.765 119.778 -1.013 25428 740 1 2 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.103 -0.136 25428 741 1 2 . 1 1 78 78 LYS CA C 78 57.157 57.157 59.288 -2.131 25428 742 1 2 . 1 1 78 78 LYS CB C 78 29.592 29.592 31.918 -2.326 25428 743 1 2 . 1 1 79 79 THR N N 79 114.076 114.076 114.582 -0.506 25428 744 1 2 . 1 1 79 79 THR HA H 79 3.893 3.893 4.109 -0.216 25428 745 1 2 . 1 1 79 79 THR CA C 79 62.715 62.715 65.597 -2.882 25428 746 1 2 . 1 1 79 79 THR CB C 79 65.978 65.978 68.333 -2.355 25428 747 1 2 . 1 1 80 80 TYR N N 80 123.194 123.194 121.915 1.279 25428 748 1 2 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.273 -0.255 25428 749 1 2 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.813 -2.981 25428 750 1 2 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.362 -2.203 25428 751 1 2 . 1 1 81 81 ARG N N 81 118.541 118.541 116.589 1.952 25428 752 1 2 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.373 -0.317 25428 753 1 2 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.192 -2.003 25428 754 1 2 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.520 -2.849 25428 755 1 2 . 1 1 82 82 GLN N N 82 117.664 117.664 119.649 -1.985 25428 756 1 2 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.885 -0.773 25428 757 1 2 . 1 1 82 82 GLN CA C 82 53.880 53.880 54.938 -1.058 25428 758 1 2 . 1 1 82 82 GLN CB C 82 25.988 25.988 28.744 -2.756 25428 759 1 2 . 1 1 83 83 ARG N N 83 119.552 119.552 119.673 -0.121 25428 760 1 2 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.405 -0.290 25428 761 1 2 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.729 -1.840 25428 762 1 2 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.791 -2.980 25428 763 1 2 . 1 1 84 84 GLU N N 84 121.362 121.362 121.294 0.068 25428 764 1 2 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.282 -0.149 25428 765 1 2 . 1 1 84 84 GLU CA C 84 53.838 53.838 56.462 -2.624 25428 766 1 2 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.579 -3.134 25428 767 1 3 . 1 1 2 2 SER N N 2 119.046 119.046 114.473 4.573 25428 768 1 3 . 1 1 2 2 SER HA H 2 4.509 4.509 4.810 -0.301 25428 769 1 3 . 1 1 2 2 SER C C 2 172.827 172.827 174.718 -1.891 25428 770 1 3 . 1 1 2 2 SER CA C 2 55.872 55.872 56.859 -0.987 25428 771 1 3 . 1 1 2 2 SER CB C 2 61.645 61.645 65.598 -3.953 25428 772 1 3 . 1 1 3 3 GLU N N 3 121.401 121.401 122.173 -0.772 25428 773 1 3 . 1 1 3 3 GLU HA H 3 4.172 4.172 3.918 0.254 25428 774 1 3 . 1 1 3 3 GLU C C 3 174.375 174.375 177.978 -3.603 25428 775 1 3 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.839 -4.194 25428 776 1 3 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.533 -3.270 25428 777 1 3 . 1 1 4 4 ASN N N 4 117.467 117.467 117.398 0.069 25428 778 1 3 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.318 0.221 25428 779 1 3 . 1 1 4 4 ASN C C 4 172.792 172.792 177.448 -4.656 25428 780 1 3 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.724 -4.156 25428 781 1 3 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.081 -1.453 25428 782 1 3 . 1 1 5 5 PHE N N 5 121.588 121.588 121.837 -0.249 25428 783 1 3 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.109 -0.130 25428 784 1 3 . 1 1 5 5 PHE CA C 5 58.679 58.679 62.248 -3.569 25428 785 1 3 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.924 -2.698 25428 786 1 3 . 1 1 6 6 GLN N N 6 117.868 117.868 117.503 0.365 25428 787 1 3 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.929 -0.451 25428 788 1 3 . 1 1 6 6 GLN C C 6 174.670 174.670 178.362 -3.692 25428 789 1 3 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.650 -3.349 25428 790 1 3 . 1 1 6 6 GLN CB C 6 25.257 25.257 28.040 -2.783 25428 791 1 3 . 1 1 7 7 THR N N 7 114.124 114.124 116.956 -2.832 25428 792 1 3 . 1 1 7 7 THR HA H 7 3.862 3.862 3.941 -0.079 25428 793 1 3 . 1 1 7 7 THR C C 7 173.949 173.949 176.769 -2.820 25428 794 1 3 . 1 1 7 7 THR CA C 7 62.909 62.909 66.267 -3.358 25428 795 1 3 . 1 1 7 7 THR CB C 7 65.814 65.814 68.530 -2.716 25428 796 1 3 . 1 1 8 8 LEU N N 8 121.809 121.809 121.966 -0.157 25428 797 1 3 . 1 1 8 8 LEU HA H 8 3.893 3.893 3.927 -0.034 25428 798 1 3 . 1 1 8 8 LEU C C 8 175.915 175.915 178.472 -2.557 25428 799 1 3 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.695 -3.083 25428 800 1 3 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.540 -2.513 25428 801 1 3 . 1 1 9 9 LEU N N 9 119.407 119.407 115.298 4.109 25428 802 1 3 . 1 1 9 9 LEU HA H 9 3.999 3.999 3.997 0.002 25428 803 1 3 . 1 1 9 9 LEU C C 9 179.642 179.642 177.719 1.923 25428 804 1 3 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.331 -1.938 25428 805 1 3 . 1 1 9 9 LEU CB C 9 38.343 38.343 40.892 -2.550 25428 806 1 3 . 1 1 10 10 ASP N N 10 122.019 122.019 117.167 4.852 25428 807 1 3 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.585 -0.356 25428 808 1 3 . 1 1 10 10 ASP C C 10 174.743 174.743 176.792 -2.049 25428 809 1 3 . 1 1 10 10 ASP CA C 10 53.829 53.829 54.972 -1.143 25428 810 1 3 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.727 -4.762 25428 811 1 3 . 1 1 11 11 ALA N N 11 121.088 121.088 120.786 0.302 25428 812 1 3 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.313 -0.105 25428 813 1 3 . 1 1 11 11 ALA C C 11 174.553 174.553 177.612 -3.059 25428 814 1 3 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.808 -3.126 25428 815 1 3 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.862 -3.471 25428 816 1 3 . 1 1 12 12 GLY N N 12 104.096 104.096 104.443 -0.347 25428 817 1 3 . 1 1 12 12 GLY C C 12 172.183 172.183 173.873 -1.690 25428 818 1 3 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.786 -2.636 25428 819 1 3 . 1 1 13 13 LEU N N 13 120.523 120.523 120.513 0.010 25428 820 1 3 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.839 -0.474 25428 821 1 3 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.431 -1.278 25428 822 1 3 . 1 1 13 13 LEU CB C 13 38.486 38.486 43.078 -4.592 25428 823 1 3 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.580 -0.229 25428 824 1 3 . 1 1 14 14 PRO C C 14 174.611 174.611 177.165 -2.554 25428 825 1 3 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.353 -2.626 25428 826 1 3 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.810 -3.007 25428 827 1 3 . 1 1 15 15 GLN N N 15 124.429 124.429 122.126 2.303 25428 828 1 3 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.907 -0.218 25428 829 1 3 . 1 1 15 15 GLN C C 15 174.848 174.848 177.635 -2.787 25428 830 1 3 . 1 1 15 15 GLN CA C 15 57.850 57.850 59.940 -2.090 25428 831 1 3 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.737 -3.404 25428 832 1 3 . 1 1 16 16 LYS N N 16 115.638 115.638 117.041 -1.403 25428 833 1 3 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.120 -0.098 25428 834 1 3 . 1 1 16 16 LYS C C 16 176.800 176.800 177.639 -0.839 25428 835 1 3 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.131 -2.507 25428 836 1 3 . 1 1 16 16 LYS CB C 16 29.837 29.837 32.015 -2.178 25428 837 1 3 . 1 1 17 17 VAL N N 17 118.513 118.513 117.424 1.089 25428 838 1 3 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.837 -0.447 25428 839 1 3 . 1 1 17 17 VAL C C 17 173.946 173.946 178.006 -4.060 25428 840 1 3 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.672 -2.861 25428 841 1 3 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.840 -2.752 25428 842 1 3 . 1 1 18 18 ALA N N 18 121.811 121.811 123.154 -1.343 25428 843 1 3 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.978 -0.245 25428 844 1 3 . 1 1 18 18 ALA C C 18 176.571 176.571 179.665 -3.094 25428 845 1 3 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.367 -2.848 25428 846 1 3 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.890 -2.274 25428 847 1 3 . 1 1 19 19 GLU N N 19 116.183 116.183 116.040 0.143 25428 848 1 3 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.280 -0.367 25428 849 1 3 . 1 1 19 19 GLU C C 19 176.184 176.184 178.192 -2.008 25428 850 1 3 . 1 1 19 19 GLU CA C 19 56.832 56.832 58.779 -1.946 25428 851 1 3 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.796 -2.682 25428 852 1 3 . 1 1 20 20 LYS N N 20 120.202 120.202 115.700 4.502 25428 853 1 3 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.445 -0.382 25428 854 1 3 . 1 1 20 20 LYS C C 20 175.707 175.707 176.356 -0.649 25428 855 1 3 . 1 1 20 20 LYS CA C 20 54.340 54.340 56.386 -2.046 25428 856 1 3 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.774 -5.622 25428 857 1 3 . 1 1 21 21 LEU N N 21 120.188 120.188 121.617 -1.429 25428 858 1 3 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.498 -0.594 25428 859 1 3 . 1 1 21 21 LEU C C 21 175.138 175.138 178.491 -3.353 25428 860 1 3 . 1 1 21 21 LEU CA C 21 54.762 54.762 56.089 -1.327 25428 861 1 3 . 1 1 21 21 LEU CB C 21 38.389 38.389 43.419 -5.030 25428 862 1 3 . 1 1 22 22 ASP N N 22 118.729 118.729 122.093 -3.364 25428 863 1 3 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.629 -0.204 25428 864 1 3 . 1 1 22 22 ASP C C 22 175.147 175.147 178.421 -3.274 25428 865 1 3 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.886 -2.610 25428 866 1 3 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.812 -1.509 25428 867 1 3 . 1 1 23 23 GLU N N 23 117.201 117.201 119.367 -2.166 25428 868 1 3 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.123 -0.234 25428 869 1 3 . 1 1 23 23 GLU C C 23 177.140 177.140 178.730 -1.590 25428 870 1 3 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.092 -2.343 25428 871 1 3 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.200 -2.159 25428 872 1 3 . 1 1 24 24 ILE N N 24 121.465 121.465 118.717 2.748 25428 873 1 3 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.685 -0.078 25428 874 1 3 . 1 1 24 24 ILE C C 24 174.918 174.918 177.062 -2.144 25428 875 1 3 . 1 1 24 24 ILE CA C 24 63.184 63.184 63.924 -0.740 25428 876 1 3 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.549 -2.582 25428 877 1 3 . 1 1 25 25 TYR N N 25 120.955 120.955 118.311 2.644 25428 878 1 3 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.779 0.033 25428 879 1 3 . 1 1 25 25 TYR C C 25 179.018 179.018 178.978 0.040 25428 880 1 3 . 1 1 25 25 TYR CA C 25 56.172 56.172 59.270 -3.098 25428 881 1 3 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.721 -4.302 25428 882 1 3 . 1 1 26 26 VAL N N 26 123.429 123.429 121.317 2.112 25428 883 1 3 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.666 -0.075 25428 884 1 3 . 1 1 26 26 VAL C C 26 175.383 175.383 177.307 -1.924 25428 885 1 3 . 1 1 26 26 VAL CA C 26 63.501 63.501 65.968 -2.467 25428 886 1 3 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.913 -2.920 25428 887 1 3 . 1 1 27 27 ALA N N 27 120.082 120.082 120.202 -0.120 25428 888 1 3 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.398 -0.193 25428 889 1 3 . 1 1 27 27 ALA C C 27 175.640 175.640 177.542 -1.902 25428 890 1 3 . 1 1 27 27 ALA CA C 27 50.270 50.270 51.776 -1.506 25428 891 1 3 . 1 1 27 27 ALA CB C 27 15.992 15.992 19.125 -3.133 25428 892 1 3 . 1 1 28 28 GLY N N 28 105.543 105.543 107.209 -1.666 25428 893 1 3 . 1 1 28 28 GLY C C 28 172.315 172.315 174.694 -2.379 25428 894 1 3 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.688 -3.149 25428 895 1 3 . 1 1 29 29 LEU N N 29 119.155 119.155 119.170 -0.015 25428 896 1 3 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.503 -0.498 25428 897 1 3 . 1 1 29 29 LEU C C 29 173.807 173.807 177.052 -3.245 25428 898 1 3 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.438 -2.358 25428 899 1 3 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.698 -2.912 25428 900 1 3 . 1 1 30 30 VAL N N 30 109.334 109.334 112.113 -2.779 25428 901 1 3 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.410 -0.194 25428 902 1 3 . 1 1 30 30 VAL C C 30 170.244 170.244 176.668 -6.424 25428 903 1 3 . 1 1 30 30 VAL CA C 30 56.444 56.444 60.472 -4.028 25428 904 1 3 . 1 1 30 30 VAL CB C 30 32.365 32.365 32.773 -0.408 25428 905 1 3 . 1 1 31 31 ALA N N 31 126.238 126.238 128.068 -1.830 25428 906 1 3 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.430 0.129 25428 907 1 3 . 1 1 31 31 ALA C C 31 176.016 176.016 177.736 -1.720 25428 908 1 3 . 1 1 31 31 ALA CA C 31 47.470 47.470 52.066 -4.596 25428 909 1 3 . 1 1 31 31 ALA CB C 31 18.040 18.040 17.583 0.457 25428 910 1 3 . 1 1 32 32 HIS N N 32 120.680 120.680 114.064 6.616 25428 911 1 3 . 1 1 32 32 HIS HA H 32 3.990 3.990 4.242 -0.253 25428 912 1 3 . 1 1 32 32 HIS C C 32 174.379 174.379 174.374 0.005 25428 913 1 3 . 1 1 32 32 HIS CA C 32 56.668 56.668 58.329 -1.661 25428 914 1 3 . 1 1 32 32 HIS CB C 32 26.452 26.452 27.331 -0.879 25428 915 1 3 . 1 1 33 33 SER N N 33 109.997 109.997 113.704 -3.707 25428 916 1 3 . 1 1 33 33 SER HA H 33 4.125 4.125 4.539 -0.414 25428 917 1 3 . 1 1 33 33 SER C C 33 172.444 172.444 174.669 -2.225 25428 918 1 3 . 1 1 33 33 SER CA C 33 56.158 56.158 57.564 -1.406 25428 919 1 3 . 1 1 33 33 SER CB C 33 60.045 60.045 64.469 -4.424 25428 920 1 3 . 1 1 34 34 ASP N N 34 119.785 119.785 121.204 -1.419 25428 921 1 3 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.580 -0.060 25428 922 1 3 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.573 -2.057 25428 923 1 3 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.229 -1.739 25428 924 1 3 . 1 1 35 35 LEU N N 35 118.248 118.248 118.072 0.176 25428 925 1 3 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.447 0.006 25428 926 1 3 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.483 -4.120 25428 927 1 3 . 1 1 35 35 LEU CB C 35 38.642 38.642 42.877 -4.234 25428 928 1 3 . 1 1 36 36 ASP N N 36 122.922 122.922 118.661 4.261 25428 929 1 3 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.843 -0.418 25428 930 1 3 . 1 1 36 36 ASP C C 36 173.050 173.050 176.992 -3.942 25428 931 1 3 . 1 1 36 36 ASP CA C 36 49.746 49.746 53.247 -3.501 25428 932 1 3 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.957 -3.788 25428 933 1 3 . 1 1 37 37 GLU N N 37 119.277 119.277 122.281 -3.004 25428 934 1 3 . 1 1 37 37 GLU HA H 37 3.826 3.826 3.896 -0.070 25428 935 1 3 . 1 1 37 37 GLU C C 37 175.878 175.878 178.343 -2.465 25428 936 1 3 . 1 1 37 37 GLU CA C 37 56.924 56.924 60.264 -3.340 25428 937 1 3 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.960 -3.549 25428 938 1 3 . 1 1 38 38 ARG N N 38 117.965 117.965 117.167 0.798 25428 939 1 3 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.065 -0.133 25428 940 1 3 . 1 1 38 38 ARG C C 38 176.285 176.285 178.653 -2.368 25428 941 1 3 . 1 1 38 38 ARG CA C 38 55.806 55.806 59.056 -3.250 25428 942 1 3 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.885 1.081 25428 943 1 3 . 1 1 39 39 ALA N N 39 123.247 123.247 121.946 1.301 25428 944 1 3 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.310 -0.432 25428 945 1 3 . 1 1 39 39 ALA C C 39 175.872 175.872 179.427 -3.555 25428 946 1 3 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.672 -2.430 25428 947 1 3 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.730 -3.539 25428 948 1 3 . 1 1 40 40 ILE N N 40 116.462 116.462 119.169 -2.707 25428 949 1 3 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.805 -0.361 25428 950 1 3 . 1 1 40 40 ILE C C 40 175.056 175.056 178.026 -2.970 25428 951 1 3 . 1 1 40 40 ILE CA C 40 60.848 60.848 62.612 -1.764 25428 952 1 3 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.660 -3.039 25428 953 1 3 . 1 1 41 41 GLU N N 41 117.817 117.817 121.105 -3.288 25428 954 1 3 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.979 -0.194 25428 955 1 3 . 1 1 41 41 GLU C C 41 176.503 176.503 178.944 -2.441 25428 956 1 3 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.691 -3.280 25428 957 1 3 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.820 -3.460 25428 958 1 3 . 1 1 42 42 ALA N N 42 120.852 120.852 121.907 -1.055 25428 959 1 3 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.219 -0.151 25428 960 1 3 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.847 -2.870 25428 961 1 3 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.596 -3.267 25428 962 1 3 . 1 1 43 43 LEU N N 43 120.443 120.443 118.168 2.275 25428 963 1 3 . 1 1 43 43 LEU HA H 43 4.139 4.139 3.985 0.154 25428 964 1 3 . 1 1 43 43 LEU C C 43 176.351 176.351 179.830 -3.479 25428 965 1 3 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.904 -3.051 25428 966 1 3 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.683 -2.097 25428 967 1 3 . 1 1 44 44 LYS N N 44 116.644 116.644 116.636 0.008 25428 968 1 3 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.115 -0.090 25428 969 1 3 . 1 1 44 44 LYS C C 44 174.406 174.406 177.479 -3.073 25428 970 1 3 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.574 -3.143 25428 971 1 3 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.307 -2.634 25428 972 1 3 . 1 1 45 45 GLU N N 45 115.882 115.882 116.219 -0.337 25428 973 1 3 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.118 -0.104 25428 974 1 3 . 1 1 45 45 GLU C C 45 174.383 174.383 176.893 -2.510 25428 975 1 3 . 1 1 45 45 GLU CA C 45 54.281 54.281 57.041 -2.760 25428 976 1 3 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.684 -2.687 25428 977 1 3 . 1 1 46 46 PHE N N 46 118.293 118.293 119.513 -1.220 25428 978 1 3 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.442 -0.094 25428 979 1 3 . 1 1 46 46 PHE C C 46 173.933 173.933 175.387 -1.454 25428 980 1 3 . 1 1 46 46 PHE CA C 46 55.339 55.339 58.088 -2.749 25428 981 1 3 . 1 1 46 46 PHE CB C 46 38.417 38.417 39.679 -1.262 25428 982 1 3 . 1 1 47 47 ASN N N 47 117.552 117.552 122.975 -5.423 25428 983 1 3 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.598 0.009 25428 984 1 3 . 1 1 47 47 ASN C C 47 172.500 172.500 176.207 -3.707 25428 985 1 3 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.971 -3.311 25428 986 1 3 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.255 -4.069 25428 987 1 3 . 1 1 48 48 GLU N N 48 121.194 121.194 120.749 0.445 25428 988 1 3 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.916 -0.238 25428 989 1 3 . 1 1 48 48 GLU C C 48 174.313 174.313 178.362 -4.049 25428 990 1 3 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.663 -2.277 25428 991 1 3 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.611 -2.017 25428 992 1 3 . 1 1 49 49 ASP N N 49 115.316 115.316 117.841 -2.525 25428 993 1 3 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.479 -0.256 25428 994 1 3 . 1 1 49 49 ASP C C 49 176.778 176.778 178.262 -1.484 25428 995 1 3 . 1 1 49 49 ASP CA C 49 54.688 54.688 57.433 -2.745 25428 996 1 3 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.225 -2.784 25428 997 1 3 . 1 1 50 50 GLY N N 50 109.745 109.745 108.449 1.296 25428 998 1 3 . 1 1 50 50 GLY C C 50 171.469 171.469 175.450 -3.981 25428 999 1 3 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.642 -2.301 25428 1000 1 3 . 1 1 51 51 ALA N N 51 123.698 123.698 124.774 -1.076 25428 1001 1 3 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.633 -0.266 25428 1002 1 3 . 1 1 51 51 ALA C C 51 177.022 177.022 179.746 -2.724 25428 1003 1 3 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.686 -2.523 25428 1004 1 3 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.221 -1.411 25428 1005 1 3 . 1 1 52 52 LEU N N 52 115.728 115.728 117.956 -2.228 25428 1006 1 3 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.800 -0.012 25428 1007 1 3 . 1 1 52 52 LEU C C 52 176.760 176.760 179.003 -2.243 25428 1008 1 3 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.901 -2.640 25428 1009 1 3 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.587 -3.580 25428 1010 1 3 . 1 1 53 53 ALA N N 53 123.490 123.490 121.719 1.771 25428 1011 1 3 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.996 0.024 25428 1012 1 3 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.600 -2.163 25428 1013 1 3 . 1 1 53 53 ALA CB C 53 15.446 15.446 18.154 -2.708 25428 1014 1 3 . 1 1 54 54 VAL N N 54 119.648 119.648 117.632 2.016 25428 1015 1 3 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.406 -0.328 25428 1016 1 3 . 1 1 54 54 VAL CA C 54 62.949 62.949 65.801 -2.852 25428 1017 1 3 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.450 -2.093 25428 1018 1 3 . 1 1 55 55 LEU N N 55 118.185 118.185 117.957 0.228 25428 1019 1 3 . 1 1 55 55 LEU HA H 55 3.841 3.841 4.116 -0.275 25428 1020 1 3 . 1 1 55 55 LEU C C 55 175.988 175.988 178.784 -2.796 25428 1021 1 3 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.249 -2.594 25428 1022 1 3 . 1 1 55 55 LEU CB C 55 38.850 38.850 42.128 -3.278 25428 1023 1 3 . 1 1 56 56 GLN N N 56 120.271 120.271 119.479 0.792 25428 1024 1 3 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.885 -0.130 25428 1025 1 3 . 1 1 56 56 GLN C C 56 174.357 174.357 178.289 -3.932 25428 1026 1 3 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.653 -3.934 25428 1027 1 3 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.647 -3.430 25428 1028 1 3 . 1 1 57 57 GLN N N 57 117.610 117.610 116.994 0.616 25428 1029 1 3 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.262 -0.267 25428 1030 1 3 . 1 1 57 57 GLN C C 57 177.125 177.125 177.364 -0.239 25428 1031 1 3 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.138 -2.078 25428 1032 1 3 . 1 1 57 57 GLN CB C 57 25.148 25.148 29.011 -3.862 25428 1033 1 3 . 1 1 58 58 PHE N N 58 120.365 120.365 120.326 0.039 25428 1034 1 3 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.694 -0.494 25428 1035 1 3 . 1 1 58 58 PHE C C 58 172.960 172.960 176.565 -3.605 25428 1036 1 3 . 1 1 58 58 PHE CA C 58 58.622 58.622 59.805 -1.183 25428 1037 1 3 . 1 1 58 58 PHE CB C 58 37.309 37.309 40.037 -2.728 25428 1038 1 3 . 1 1 59 59 LYS N N 59 117.757 117.757 117.702 0.055 25428 1039 1 3 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.806 -0.179 25428 1040 1 3 . 1 1 59 59 LYS C C 59 174.015 174.015 178.516 -4.501 25428 1041 1 3 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.735 -2.508 25428 1042 1 3 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.554 -3.076 25428 1043 1 3 . 1 1 60 60 ASP N N 60 116.580 116.580 120.320 -3.740 25428 1044 1 3 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.633 -0.003 25428 1045 1 3 . 1 1 60 60 ASP C C 60 174.154 174.154 175.240 -1.086 25428 1046 1 3 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.572 -2.818 25428 1047 1 3 . 1 1 60 60 ASP CB C 60 38.013 38.013 38.948 -0.935 25428 1048 1 3 . 1 1 61 61 SER N N 61 117.142 117.142 113.898 3.244 25428 1049 1 3 . 1 1 61 61 SER HA H 61 4.383 4.383 4.518 -0.135 25428 1050 1 3 . 1 1 61 61 SER C C 61 169.538 169.538 172.536 -2.998 25428 1051 1 3 . 1 1 61 61 SER CA C 61 56.682 56.682 57.619 -0.937 25428 1052 1 3 . 1 1 61 61 SER CB C 61 61.698 61.698 66.253 -4.555 25428 1053 1 3 . 1 1 62 62 ASP N N 62 120.580 120.580 121.857 -1.277 25428 1054 1 3 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.677 -0.127 25428 1055 1 3 . 1 1 62 62 ASP CA C 62 50.266 50.266 52.980 -2.714 25428 1056 1 3 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.228 -4.049 25428 1057 1 3 . 1 1 63 63 LEU N N 63 126.269 126.269 124.673 1.596 25428 1058 1 3 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.139 -0.328 25428 1059 1 3 . 1 1 63 63 LEU CA C 63 51.921 51.921 54.579 -2.658 25428 1060 1 3 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.914 -2.911 25428 1061 1 3 . 1 1 64 64 SER N N 64 116.388 116.388 115.724 0.664 25428 1062 1 3 . 1 1 64 64 SER HA H 64 3.862 3.862 3.911 -0.049 25428 1063 1 3 . 1 1 64 64 SER C C 64 172.812 172.812 175.282 -2.470 25428 1064 1 3 . 1 1 64 64 SER CA C 64 58.914 58.914 61.367 -2.453 25428 1065 1 3 . 1 1 64 64 SER CB C 64 59.851 59.851 62.991 -3.140 25428 1066 1 3 . 1 1 65 65 HIS N N 65 117.601 117.601 116.445 1.156 25428 1067 1 3 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.640 0.073 25428 1068 1 3 . 1 1 65 65 HIS C C 65 171.008 171.008 174.569 -3.561 25428 1069 1 3 . 1 1 65 65 HIS CA C 65 52.236 52.236 54.517 -2.281 25428 1070 1 3 . 1 1 65 65 HIS CB C 65 25.765 25.765 29.920 -4.155 25428 1071 1 3 . 1 1 66 66 VAL N N 66 121.466 121.466 123.970 -2.504 25428 1072 1 3 . 1 1 66 66 VAL HA H 66 3.857 3.857 3.965 -0.108 25428 1073 1 3 . 1 1 66 66 VAL C C 66 172.336 172.336 176.579 -4.243 25428 1074 1 3 . 1 1 66 66 VAL CA C 66 59.147 59.147 63.003 -3.856 25428 1075 1 3 . 1 1 66 66 VAL CB C 66 29.577 29.577 31.628 -2.051 25428 1076 1 3 . 1 1 67 67 GLN N N 67 127.282 127.282 128.706 -1.424 25428 1077 1 3 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.096 0.053 25428 1078 1 3 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.020 -2.920 25428 1079 1 3 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.785 -2.470 25428 1080 1 3 . 1 1 68 68 ASN N N 68 117.044 117.044 119.319 -2.275 25428 1081 1 3 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.923 0.012 25428 1082 1 3 . 1 1 68 68 ASN CA C 68 48.730 48.730 52.300 -3.570 25428 1083 1 3 . 1 1 68 68 ASN CB C 68 35.131 35.131 39.334 -4.203 25428 1084 1 3 . 1 1 69 69 LYS N N 69 125.145 125.145 124.159 0.986 25428 1085 1 3 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.144 -0.211 25428 1086 1 3 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.327 -1.722 25428 1087 1 3 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.239 -1.944 25428 1088 1 3 . 1 1 70 70 SER N N 70 116.020 116.020 114.421 1.599 25428 1089 1 3 . 1 1 70 70 SER HA H 70 4.220 4.220 4.144 0.076 25428 1090 1 3 . 1 1 70 70 SER CA C 70 59.898 59.898 61.554 -1.656 25428 1091 1 3 . 1 1 70 70 SER CB C 70 59.848 59.848 62.828 -2.979 25428 1092 1 3 . 1 1 71 71 ALA N N 71 123.444 123.444 124.894 -1.450 25428 1093 1 3 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.114 -0.140 25428 1094 1 3 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.476 -2.606 25428 1095 1 3 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.344 -3.277 25428 1096 1 3 . 1 1 72 72 PHE N N 72 120.178 120.178 119.234 0.944 25428 1097 1 3 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.287 -0.145 25428 1098 1 3 . 1 1 72 72 PHE C C 72 175.653 175.653 177.137 -1.484 25428 1099 1 3 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.704 -2.787 25428 1100 1 3 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.585 -2.231 25428 1101 1 3 . 1 1 73 73 LEU N N 73 121.921 121.921 121.983 -0.062 25428 1102 1 3 . 1 1 73 73 LEU HA H 73 3.753 3.753 4.040 -0.287 25428 1103 1 3 . 1 1 73 73 LEU C C 73 175.921 175.921 178.402 -2.481 25428 1104 1 3 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.694 -3.010 25428 1105 1 3 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.684 -4.260 25428 1106 1 3 . 1 1 74 74 CYS N N 74 116.964 116.964 116.802 0.162 25428 1107 1 3 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.243 -0.131 25428 1108 1 3 . 1 1 74 74 CYS C C 74 174.901 174.901 177.422 -2.521 25428 1109 1 3 . 1 1 74 74 CYS CA C 74 61.104 61.104 62.291 -1.187 25428 1110 1 3 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.770 -3.138 25428 1111 1 3 . 1 1 75 75 GLY N N 75 110.524 110.524 108.900 1.624 25428 1112 1 3 . 1 1 75 75 GLY C C 75 173.633 173.633 175.763 -2.130 25428 1113 1 3 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.112 -2.727 25428 1114 1 3 . 1 1 76 76 VAL N N 76 124.398 124.398 124.130 0.268 25428 1115 1 3 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.726 -0.215 25428 1116 1 3 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.596 -3.205 25428 1117 1 3 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.488 -2.989 25428 1118 1 3 . 1 1 77 77 MET N N 77 118.057 118.057 118.698 -0.641 25428 1119 1 3 . 1 1 77 77 MET HA H 77 3.755 3.755 4.117 -0.362 25428 1120 1 3 . 1 1 77 77 MET CA C 77 57.770 57.770 60.074 -2.304 25428 1121 1 3 . 1 1 77 77 MET CB C 77 31.029 31.029 32.263 -1.234 25428 1122 1 3 . 1 1 78 78 LYS N N 78 118.765 118.765 118.967 -0.202 25428 1123 1 3 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.059 -0.092 25428 1124 1 3 . 1 1 78 78 LYS CA C 78 57.157 57.157 59.315 -2.158 25428 1125 1 3 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.165 -2.573 25428 1126 1 3 . 1 1 79 79 THR N N 79 114.076 114.076 115.453 -1.377 25428 1127 1 3 . 1 1 79 79 THR HA H 79 3.893 3.893 4.077 -0.184 25428 1128 1 3 . 1 1 79 79 THR CA C 79 62.715 62.715 66.134 -3.419 25428 1129 1 3 . 1 1 79 79 THR CB C 79 65.978 65.978 68.522 -2.544 25428 1130 1 3 . 1 1 80 80 TYR N N 80 123.194 123.194 123.259 -0.065 25428 1131 1 3 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.214 -0.196 25428 1132 1 3 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.670 -2.838 25428 1133 1 3 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.334 -2.175 25428 1134 1 3 . 1 1 81 81 ARG N N 81 118.541 118.541 116.676 1.865 25428 1135 1 3 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.232 -0.176 25428 1136 1 3 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.996 -2.807 25428 1137 1 3 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.509 -2.838 25428 1138 1 3 . 1 1 82 82 GLN N N 82 117.664 117.664 117.115 0.549 25428 1139 1 3 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.592 -0.481 25428 1140 1 3 . 1 1 82 82 GLN CA C 82 53.880 53.880 54.864 -0.984 25428 1141 1 3 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.480 -3.492 25428 1142 1 3 . 1 1 83 83 ARG N N 83 119.552 119.552 121.826 -2.274 25428 1143 1 3 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.318 -0.203 25428 1144 1 3 . 1 1 83 83 ARG CA C 83 53.889 53.889 56.410 -2.521 25428 1145 1 3 . 1 1 83 83 ARG CB C 83 27.811 27.811 28.714 -0.903 25428 1146 1 3 . 1 1 84 84 GLU N N 84 121.362 121.362 120.051 1.311 25428 1147 1 3 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.459 -0.326 25428 1148 1 3 . 1 1 84 84 GLU CA C 84 53.838 53.838 55.631 -1.793 25428 1149 1 3 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.999 -3.554 25428 1150 1 4 . 1 1 2 2 SER N N 2 119.046 119.046 115.002 4.044 25428 1151 1 4 . 1 1 2 2 SER HA H 2 4.509 4.509 4.883 -0.374 25428 1152 1 4 . 1 1 2 2 SER C C 2 172.827 172.827 176.245 -3.418 25428 1153 1 4 . 1 1 2 2 SER CA C 2 55.872 55.872 56.125 -0.253 25428 1154 1 4 . 1 1 2 2 SER CB C 2 61.645 61.645 64.657 -3.012 25428 1155 1 4 . 1 1 3 3 GLU N N 3 121.401 121.401 121.047 0.354 25428 1156 1 4 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.044 0.128 25428 1157 1 4 . 1 1 3 3 GLU C C 3 174.375 174.375 177.804 -3.429 25428 1158 1 4 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.023 -3.378 25428 1159 1 4 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.335 -3.072 25428 1160 1 4 . 1 1 4 4 ASN N N 4 117.467 117.467 118.211 -0.744 25428 1161 1 4 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.331 0.208 25428 1162 1 4 . 1 1 4 4 ASN C C 4 172.792 172.792 176.856 -4.064 25428 1163 1 4 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.902 -4.334 25428 1164 1 4 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.106 -1.478 25428 1165 1 4 . 1 1 5 5 PHE N N 5 121.588 121.588 121.501 0.087 25428 1166 1 4 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.134 -0.155 25428 1167 1 4 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.644 -2.965 25428 1168 1 4 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.642 -2.416 25428 1169 1 4 . 1 1 6 6 GLN N N 6 117.868 117.868 117.176 0.692 25428 1170 1 4 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.796 -0.318 25428 1171 1 4 . 1 1 6 6 GLN C C 6 174.670 174.670 177.829 -3.159 25428 1172 1 4 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.963 -3.662 25428 1173 1 4 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.761 -2.504 25428 1174 1 4 . 1 1 7 7 THR N N 7 114.124 114.124 115.989 -1.865 25428 1175 1 4 . 1 1 7 7 THR HA H 7 3.862 3.862 3.928 -0.066 25428 1176 1 4 . 1 1 7 7 THR C C 7 173.949 173.949 176.114 -2.165 25428 1177 1 4 . 1 1 7 7 THR CA C 7 62.909 62.909 66.028 -3.119 25428 1178 1 4 . 1 1 7 7 THR CB C 7 65.814 65.814 68.077 -2.263 25428 1179 1 4 . 1 1 8 8 LEU N N 8 121.809 121.809 120.553 1.256 25428 1180 1 4 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.045 -0.152 25428 1181 1 4 . 1 1 8 8 LEU C C 8 175.915 175.915 178.519 -2.604 25428 1182 1 4 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.146 -2.534 25428 1183 1 4 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.169 -2.142 25428 1184 1 4 . 1 1 9 9 LEU N N 9 119.407 119.407 119.237 0.170 25428 1185 1 4 . 1 1 9 9 LEU HA H 9 3.999 3.999 3.959 0.040 25428 1186 1 4 . 1 1 9 9 LEU C C 9 179.642 179.642 179.084 0.558 25428 1187 1 4 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.636 -2.244 25428 1188 1 4 . 1 1 9 9 LEU CB C 9 38.343 38.343 40.224 -1.881 25428 1189 1 4 . 1 1 10 10 ASP N N 10 122.019 122.019 118.541 3.478 25428 1190 1 4 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.514 -0.285 25428 1191 1 4 . 1 1 10 10 ASP C C 10 174.743 174.743 176.876 -2.133 25428 1192 1 4 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.827 -1.998 25428 1193 1 4 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.360 -4.395 25428 1194 1 4 . 1 1 11 11 ALA N N 11 121.088 121.088 119.958 1.130 25428 1195 1 4 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.376 -0.168 25428 1196 1 4 . 1 1 11 11 ALA C C 11 174.553 174.553 177.769 -3.216 25428 1197 1 4 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.477 -2.795 25428 1198 1 4 . 1 1 11 11 ALA CB C 11 15.391 15.391 19.004 -3.613 25428 1199 1 4 . 1 1 12 12 GLY N N 12 104.096 104.096 105.566 -1.470 25428 1200 1 4 . 1 1 12 12 GLY C C 12 172.183 172.183 174.301 -2.118 25428 1201 1 4 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.750 -2.600 25428 1202 1 4 . 1 1 13 13 LEU N N 13 120.523 120.523 121.468 -0.945 25428 1203 1 4 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.765 -0.400 25428 1204 1 4 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.863 -1.710 25428 1205 1 4 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.351 -3.865 25428 1206 1 4 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.546 -0.195 25428 1207 1 4 . 1 1 14 14 PRO C C 14 174.611 174.611 177.791 -3.180 25428 1208 1 4 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.384 -2.656 25428 1209 1 4 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.870 -3.067 25428 1210 1 4 . 1 1 15 15 GLN N N 15 124.429 124.429 122.995 1.434 25428 1211 1 4 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.887 -0.198 25428 1212 1 4 . 1 1 15 15 GLN C C 15 174.848 174.848 177.740 -2.892 25428 1213 1 4 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.336 -2.486 25428 1214 1 4 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.601 -3.268 25428 1215 1 4 . 1 1 16 16 LYS N N 16 115.638 115.638 117.133 -1.495 25428 1216 1 4 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.178 -0.156 25428 1217 1 4 . 1 1 16 16 LYS C C 16 176.800 176.800 178.413 -1.613 25428 1218 1 4 . 1 1 16 16 LYS CA C 16 56.624 56.624 58.998 -2.374 25428 1219 1 4 . 1 1 16 16 LYS CB C 16 29.837 29.837 32.021 -2.184 25428 1220 1 4 . 1 1 17 17 VAL N N 17 118.513 118.513 119.452 -0.939 25428 1221 1 4 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.843 -0.453 25428 1222 1 4 . 1 1 17 17 VAL C C 17 173.946 173.946 177.761 -3.815 25428 1223 1 4 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.186 -2.375 25428 1224 1 4 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.649 -2.561 25428 1225 1 4 . 1 1 18 18 ALA N N 18 121.811 121.811 122.665 -0.854 25428 1226 1 4 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.965 -0.232 25428 1227 1 4 . 1 1 18 18 ALA C C 18 176.571 176.571 179.773 -3.202 25428 1228 1 4 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.622 -3.103 25428 1229 1 4 . 1 1 18 18 ALA CB C 18 15.616 15.616 18.007 -2.391 25428 1230 1 4 . 1 1 19 19 GLU N N 19 116.183 116.183 117.357 -1.174 25428 1231 1 4 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.180 -0.267 25428 1232 1 4 . 1 1 19 19 GLU C C 19 176.184 176.184 179.272 -3.088 25428 1233 1 4 . 1 1 19 19 GLU CA C 19 56.832 56.832 60.010 -3.178 25428 1234 1 4 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.675 -2.561 25428 1235 1 4 . 1 1 20 20 LYS N N 20 120.202 120.202 117.652 2.550 25428 1236 1 4 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.224 -0.161 25428 1237 1 4 . 1 1 20 20 LYS C C 20 175.707 175.707 178.807 -3.100 25428 1238 1 4 . 1 1 20 20 LYS CA C 20 54.340 54.340 57.298 -2.958 25428 1239 1 4 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.345 -5.193 25428 1240 1 4 . 1 1 21 21 LEU N N 21 120.188 120.188 120.552 -0.364 25428 1241 1 4 . 1 1 21 21 LEU HA H 21 3.904 3.904 3.947 -0.043 25428 1242 1 4 . 1 1 21 21 LEU C C 21 175.138 175.138 178.684 -3.546 25428 1243 1 4 . 1 1 21 21 LEU CA C 21 54.762 54.762 58.487 -3.725 25428 1244 1 4 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.226 -3.837 25428 1245 1 4 . 1 1 22 22 ASP N N 22 118.729 118.729 120.053 -1.324 25428 1246 1 4 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.531 -0.106 25428 1247 1 4 . 1 1 22 22 ASP C C 22 175.147 175.147 178.209 -3.062 25428 1248 1 4 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.995 -2.719 25428 1249 1 4 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.777 -1.474 25428 1250 1 4 . 1 1 23 23 GLU N N 23 117.201 117.201 119.697 -2.496 25428 1251 1 4 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.069 -0.180 25428 1252 1 4 . 1 1 23 23 GLU C C 23 177.140 177.140 178.486 -1.346 25428 1253 1 4 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.059 -2.310 25428 1254 1 4 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.431 -2.390 25428 1255 1 4 . 1 1 24 24 ILE N N 24 121.465 121.465 117.504 3.961 25428 1256 1 4 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.712 -0.105 25428 1257 1 4 . 1 1 24 24 ILE C C 24 174.918 174.918 177.104 -2.186 25428 1258 1 4 . 1 1 24 24 ILE CA C 24 63.184 63.184 63.505 -0.322 25428 1259 1 4 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.555 -2.588 25428 1260 1 4 . 1 1 25 25 TYR N N 25 120.955 120.955 115.503 5.452 25428 1261 1 4 . 1 1 25 25 TYR HA H 25 4.812 4.812 5.026 -0.214 25428 1262 1 4 . 1 1 25 25 TYR C C 25 179.018 179.018 177.058 1.960 25428 1263 1 4 . 1 1 25 25 TYR CA C 25 56.172 56.172 57.688 -1.516 25428 1264 1 4 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.447 -4.028 25428 1265 1 4 . 1 1 26 26 VAL N N 26 123.429 123.429 118.657 4.772 25428 1266 1 4 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.826 -0.235 25428 1267 1 4 . 1 1 26 26 VAL C C 26 175.383 175.383 177.038 -1.655 25428 1268 1 4 . 1 1 26 26 VAL CA C 26 63.501 63.501 64.391 -0.890 25428 1269 1 4 . 1 1 26 26 VAL CB C 26 28.993 28.993 32.107 -3.114 25428 1270 1 4 . 1 1 27 27 ALA N N 27 120.082 120.082 121.712 -1.630 25428 1271 1 4 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.334 -0.129 25428 1272 1 4 . 1 1 27 27 ALA C C 27 175.640 175.640 177.956 -2.316 25428 1273 1 4 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.130 -1.860 25428 1274 1 4 . 1 1 27 27 ALA CB C 27 15.992 15.992 18.990 -2.998 25428 1275 1 4 . 1 1 28 28 GLY N N 28 105.543 105.543 106.465 -0.922 25428 1276 1 4 . 1 1 28 28 GLY C C 28 172.315 172.315 174.943 -2.628 25428 1277 1 4 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.726 -3.187 25428 1278 1 4 . 1 1 29 29 LEU N N 29 119.155 119.155 120.640 -1.485 25428 1279 1 4 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.142 -0.137 25428 1280 1 4 . 1 1 29 29 LEU C C 29 173.807 173.807 177.095 -3.288 25428 1281 1 4 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.972 -2.892 25428 1282 1 4 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.473 -2.687 25428 1283 1 4 . 1 1 30 30 VAL N N 30 109.334 109.334 111.125 -1.791 25428 1284 1 4 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.543 -0.327 25428 1285 1 4 . 1 1 30 30 VAL C C 30 170.244 170.244 174.540 -4.296 25428 1286 1 4 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.594 -3.150 25428 1287 1 4 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.121 -1.756 25428 1288 1 4 . 1 1 31 31 ALA N N 31 126.238 126.238 121.126 5.112 25428 1289 1 4 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.742 -0.183 25428 1290 1 4 . 1 1 31 31 ALA C C 31 176.016 176.016 178.344 -2.328 25428 1291 1 4 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.480 -3.010 25428 1292 1 4 . 1 1 31 31 ALA CB C 31 18.040 18.040 21.196 -3.156 25428 1293 1 4 . 1 1 32 32 HIS N N 32 120.680 120.680 119.073 1.607 25428 1294 1 4 . 1 1 32 32 HIS HA H 32 3.990 3.990 2.850 1.140 25428 1295 1 4 . 1 1 32 32 HIS C C 32 174.379 174.379 176.330 -1.951 25428 1296 1 4 . 1 1 32 32 HIS CA C 32 56.668 56.668 58.516 -1.848 25428 1297 1 4 . 1 1 32 32 HIS CB C 32 26.452 26.452 28.855 -2.403 25428 1298 1 4 . 1 1 33 33 SER N N 33 109.997 109.997 112.856 -2.859 25428 1299 1 4 . 1 1 33 33 SER HA H 33 4.125 4.125 4.343 -0.218 25428 1300 1 4 . 1 1 33 33 SER C C 33 172.444 172.444 174.649 -2.205 25428 1301 1 4 . 1 1 33 33 SER CA C 33 56.158 56.158 57.837 -1.679 25428 1302 1 4 . 1 1 33 33 SER CB C 33 60.045 60.045 62.847 -2.802 25428 1303 1 4 . 1 1 34 34 ASP N N 34 119.785 119.785 119.537 0.248 25428 1304 1 4 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.477 0.043 25428 1305 1 4 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.452 -1.936 25428 1306 1 4 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.157 -1.667 25428 1307 1 4 . 1 1 35 35 LEU N N 35 118.248 118.248 119.898 -1.650 25428 1308 1 4 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.423 0.030 25428 1309 1 4 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.310 -3.946 25428 1310 1 4 . 1 1 35 35 LEU CB C 35 38.642 38.642 42.952 -4.310 25428 1311 1 4 . 1 1 36 36 ASP N N 36 122.922 122.922 122.244 0.678 25428 1312 1 4 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.651 -0.226 25428 1313 1 4 . 1 1 36 36 ASP C C 36 173.050 173.050 177.218 -4.168 25428 1314 1 4 . 1 1 36 36 ASP CA C 36 49.746 49.746 53.700 -3.954 25428 1315 1 4 . 1 1 36 36 ASP CB C 36 39.169 39.169 41.923 -2.754 25428 1316 1 4 . 1 1 37 37 GLU N N 37 119.277 119.277 121.842 -2.565 25428 1317 1 4 . 1 1 37 37 GLU HA H 37 3.826 3.826 3.938 -0.112 25428 1318 1 4 . 1 1 37 37 GLU C C 37 175.878 175.878 178.349 -2.471 25428 1319 1 4 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.962 -3.038 25428 1320 1 4 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.882 -3.471 25428 1321 1 4 . 1 1 38 38 ARG N N 38 117.965 117.965 117.443 0.522 25428 1322 1 4 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.119 -0.187 25428 1323 1 4 . 1 1 38 38 ARG C C 38 176.285 176.285 178.552 -2.267 25428 1324 1 4 . 1 1 38 38 ARG CA C 38 55.806 55.806 59.195 -3.389 25428 1325 1 4 . 1 1 38 38 ARG CB C 38 30.966 30.966 30.018 0.948 25428 1326 1 4 . 1 1 39 39 ALA N N 39 123.247 123.247 123.604 -0.357 25428 1327 1 4 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.317 -0.439 25428 1328 1 4 . 1 1 39 39 ALA C C 39 175.872 175.872 179.478 -3.606 25428 1329 1 4 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.544 -2.302 25428 1330 1 4 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.984 -3.793 25428 1331 1 4 . 1 1 40 40 ILE N N 40 116.462 116.462 119.661 -3.199 25428 1332 1 4 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.634 -0.190 25428 1333 1 4 . 1 1 40 40 ILE C C 40 175.056 175.056 177.975 -2.919 25428 1334 1 4 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.359 -2.511 25428 1335 1 4 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.407 -2.786 25428 1336 1 4 . 1 1 41 41 GLU N N 41 117.817 117.817 120.825 -3.008 25428 1337 1 4 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.847 -0.062 25428 1338 1 4 . 1 1 41 41 GLU C C 41 176.503 176.503 178.740 -2.237 25428 1339 1 4 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.786 -3.375 25428 1340 1 4 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.689 -3.329 25428 1341 1 4 . 1 1 42 42 ALA N N 42 120.852 120.852 121.532 -0.680 25428 1342 1 4 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.184 -0.116 25428 1343 1 4 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.789 -2.812 25428 1344 1 4 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.417 -3.088 25428 1345 1 4 . 1 1 43 43 LEU N N 43 120.443 120.443 118.603 1.840 25428 1346 1 4 . 1 1 43 43 LEU HA H 43 4.139 4.139 3.959 0.180 25428 1347 1 4 . 1 1 43 43 LEU C C 43 176.351 176.351 179.340 -2.989 25428 1348 1 4 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.705 -2.852 25428 1349 1 4 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.730 -2.144 25428 1350 1 4 . 1 1 44 44 LYS N N 44 116.644 116.644 116.743 -0.099 25428 1351 1 4 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.096 -0.071 25428 1352 1 4 . 1 1 44 44 LYS C C 44 174.406 174.406 177.847 -3.441 25428 1353 1 4 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.663 -3.232 25428 1354 1 4 . 1 1 44 44 LYS CB C 44 29.673 29.673 31.950 -2.277 25428 1355 1 4 . 1 1 45 45 GLU N N 45 115.882 115.882 116.173 -0.291 25428 1356 1 4 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.285 -0.271 25428 1357 1 4 . 1 1 45 45 GLU C C 45 174.383 174.383 177.014 -2.631 25428 1358 1 4 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.396 -2.115 25428 1359 1 4 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.806 -2.809 25428 1360 1 4 . 1 1 46 46 PHE N N 46 118.293 118.293 119.835 -1.542 25428 1361 1 4 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.499 -0.151 25428 1362 1 4 . 1 1 46 46 PHE C C 46 173.933 173.933 174.872 -0.939 25428 1363 1 4 . 1 1 46 46 PHE CA C 46 55.339 55.339 58.066 -2.727 25428 1364 1 4 . 1 1 46 46 PHE CB C 46 38.417 38.417 39.411 -0.994 25428 1365 1 4 . 1 1 47 47 ASN N N 47 117.552 117.552 122.542 -4.990 25428 1366 1 4 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.606 0.001 25428 1367 1 4 . 1 1 47 47 ASN C C 47 172.500 172.500 176.250 -3.750 25428 1368 1 4 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.884 -3.224 25428 1369 1 4 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.298 -4.112 25428 1370 1 4 . 1 1 48 48 GLU N N 48 121.194 121.194 120.497 0.697 25428 1371 1 4 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.905 -0.227 25428 1372 1 4 . 1 1 48 48 GLU C C 48 174.313 174.313 178.413 -4.100 25428 1373 1 4 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.739 -2.353 25428 1374 1 4 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.597 -2.003 25428 1375 1 4 . 1 1 49 49 ASP N N 49 115.316 115.316 117.698 -2.382 25428 1376 1 4 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.536 -0.313 25428 1377 1 4 . 1 1 49 49 ASP C C 49 176.778 176.778 178.417 -1.639 25428 1378 1 4 . 1 1 49 49 ASP CA C 49 54.688 54.688 57.600 -2.912 25428 1379 1 4 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.206 -2.765 25428 1380 1 4 . 1 1 50 50 GLY N N 50 109.745 109.745 107.865 1.880 25428 1381 1 4 . 1 1 50 50 GLY C C 50 171.469 171.469 175.950 -4.481 25428 1382 1 4 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.785 -2.444 25428 1383 1 4 . 1 1 51 51 ALA N N 51 123.698 123.698 125.123 -1.425 25428 1384 1 4 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.868 -0.501 25428 1385 1 4 . 1 1 51 51 ALA C C 51 177.022 177.022 179.584 -2.562 25428 1386 1 4 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.715 -2.553 25428 1387 1 4 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.278 -1.468 25428 1388 1 4 . 1 1 52 52 LEU N N 52 115.728 115.728 119.259 -3.531 25428 1389 1 4 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.781 0.007 25428 1390 1 4 . 1 1 52 52 LEU C C 52 176.760 176.760 178.952 -2.192 25428 1391 1 4 . 1 1 52 52 LEU CA C 52 55.261 55.261 58.087 -2.826 25428 1392 1 4 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.625 -3.619 25428 1393 1 4 . 1 1 53 53 ALA N N 53 123.490 123.490 121.432 2.058 25428 1394 1 4 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.982 0.038 25428 1395 1 4 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.970 -2.532 25428 1396 1 4 . 1 1 53 53 ALA CB C 53 15.446 15.446 18.195 -2.749 25428 1397 1 4 . 1 1 54 54 VAL N N 54 119.648 119.648 118.478 1.170 25428 1398 1 4 . 1 1 54 54 VAL HA H 54 3.078 3.078 2.876 0.202 25428 1399 1 4 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.412 -3.463 25428 1400 1 4 . 1 1 54 54 VAL CB C 54 28.357 28.357 31.111 -2.754 25428 1401 1 4 . 1 1 55 55 LEU N N 55 118.185 118.185 118.893 -0.708 25428 1402 1 4 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.821 0.020 25428 1403 1 4 . 1 1 55 55 LEU C C 55 175.988 175.988 178.679 -2.691 25428 1404 1 4 . 1 1 55 55 LEU CA C 55 54.655 54.655 58.001 -3.346 25428 1405 1 4 . 1 1 55 55 LEU CB C 55 38.850 38.850 40.962 -2.112 25428 1406 1 4 . 1 1 56 56 GLN N N 56 120.271 120.271 118.719 1.552 25428 1407 1 4 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.926 -0.171 25428 1408 1 4 . 1 1 56 56 GLN C C 56 174.357 174.357 178.527 -4.170 25428 1409 1 4 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.086 -3.367 25428 1410 1 4 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.139 -2.922 25428 1411 1 4 . 1 1 57 57 GLN N N 57 117.610 117.610 119.521 -1.911 25428 1412 1 4 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.204 -0.209 25428 1413 1 4 . 1 1 57 57 GLN C C 57 177.125 177.125 178.355 -1.230 25428 1414 1 4 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.215 -2.155 25428 1415 1 4 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.936 -3.788 25428 1416 1 4 . 1 1 58 58 PHE N N 58 120.365 120.365 121.773 -1.408 25428 1417 1 4 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.328 -0.128 25428 1418 1 4 . 1 1 58 58 PHE C C 58 172.960 172.960 177.633 -4.673 25428 1419 1 4 . 1 1 58 58 PHE CA C 58 58.622 58.622 61.524 -2.902 25428 1420 1 4 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.219 -1.910 25428 1421 1 4 . 1 1 59 59 LYS N N 59 117.757 117.757 118.105 -0.348 25428 1422 1 4 . 1 1 59 59 LYS HA H 59 3.627 3.627 4.076 -0.449 25428 1423 1 4 . 1 1 59 59 LYS C C 59 174.015 174.015 178.398 -4.383 25428 1424 1 4 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.400 -2.173 25428 1425 1 4 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.602 -3.123 25428 1426 1 4 . 1 1 60 60 ASP N N 60 116.580 116.580 122.092 -5.512 25428 1427 1 4 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.670 -0.040 25428 1428 1 4 . 1 1 60 60 ASP C C 60 174.154 174.154 175.092 -0.938 25428 1429 1 4 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.982 -3.228 25428 1430 1 4 . 1 1 60 60 ASP CB C 60 38.013 38.013 39.059 -1.046 25428 1431 1 4 . 1 1 61 61 SER N N 61 117.142 117.142 114.338 2.804 25428 1432 1 4 . 1 1 61 61 SER HA H 61 4.383 4.383 4.552 -0.169 25428 1433 1 4 . 1 1 61 61 SER C C 61 169.538 169.538 172.887 -3.349 25428 1434 1 4 . 1 1 61 61 SER CA C 61 56.682 56.682 57.680 -0.998 25428 1435 1 4 . 1 1 61 61 SER CB C 61 61.698 61.698 66.213 -4.515 25428 1436 1 4 . 1 1 62 62 ASP N N 62 120.580 120.580 123.542 -2.962 25428 1437 1 4 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.678 -0.128 25428 1438 1 4 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.066 -2.800 25428 1439 1 4 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.263 -4.084 25428 1440 1 4 . 1 1 63 63 LEU N N 63 126.269 126.269 126.844 -0.575 25428 1441 1 4 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.031 -0.220 25428 1442 1 4 . 1 1 63 63 LEU CA C 63 51.921 51.921 54.566 -2.645 25428 1443 1 4 . 1 1 63 63 LEU CB C 63 39.003 39.003 39.983 -0.980 25428 1444 1 4 . 1 1 64 64 SER N N 64 116.388 116.388 114.090 2.298 25428 1445 1 4 . 1 1 64 64 SER HA H 64 3.862 3.862 4.430 -0.568 25428 1446 1 4 . 1 1 64 64 SER C C 64 172.812 172.812 174.636 -1.824 25428 1447 1 4 . 1 1 64 64 SER CA C 64 58.914 58.914 59.211 -0.297 25428 1448 1 4 . 1 1 64 64 SER CB C 64 59.851 59.851 63.577 -3.726 25428 1449 1 4 . 1 1 65 65 HIS N N 65 117.601 117.601 119.843 -2.242 25428 1450 1 4 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.730 -0.017 25428 1451 1 4 . 1 1 65 65 HIS C C 65 171.008 171.008 173.742 -2.734 25428 1452 1 4 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.257 -3.021 25428 1453 1 4 . 1 1 65 65 HIS CB C 65 25.765 25.765 30.394 -4.629 25428 1454 1 4 . 1 1 66 66 VAL N N 66 121.466 121.466 121.603 -0.137 25428 1455 1 4 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.528 -0.671 25428 1456 1 4 . 1 1 66 66 VAL C C 66 172.336 172.336 175.705 -3.369 25428 1457 1 4 . 1 1 66 66 VAL CA C 66 59.147 59.147 60.664 -1.517 25428 1458 1 4 . 1 1 66 66 VAL CB C 66 29.577 29.577 33.227 -3.650 25428 1459 1 4 . 1 1 67 67 GLN N N 67 127.282 127.282 127.955 -0.673 25428 1460 1 4 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.160 -0.011 25428 1461 1 4 . 1 1 67 67 GLN CA C 67 55.100 55.100 57.944 -2.844 25428 1462 1 4 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.660 -2.345 25428 1463 1 4 . 1 1 68 68 ASN N N 68 117.044 117.044 119.613 -2.569 25428 1464 1 4 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.938 -0.003 25428 1465 1 4 . 1 1 68 68 ASN CA C 68 48.730 48.730 52.371 -3.641 25428 1466 1 4 . 1 1 68 68 ASN CB C 68 35.131 35.131 38.861 -3.730 25428 1467 1 4 . 1 1 69 69 LYS N N 69 125.145 125.145 124.459 0.686 25428 1468 1 4 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.098 -0.165 25428 1469 1 4 . 1 1 69 69 LYS CA C 69 57.605 57.605 58.997 -1.392 25428 1470 1 4 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.233 -1.938 25428 1471 1 4 . 1 1 70 70 SER N N 70 116.020 116.020 114.323 1.697 25428 1472 1 4 . 1 1 70 70 SER HA H 70 4.220 4.220 4.235 -0.015 25428 1473 1 4 . 1 1 70 70 SER CA C 70 59.898 59.898 61.438 -1.540 25428 1474 1 4 . 1 1 70 70 SER CB C 70 59.848 59.848 62.853 -3.005 25428 1475 1 4 . 1 1 71 71 ALA N N 71 123.444 123.444 124.718 -1.274 25428 1476 1 4 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.201 -0.227 25428 1477 1 4 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.463 -2.593 25428 1478 1 4 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.238 -3.171 25428 1479 1 4 . 1 1 72 72 PHE N N 72 120.178 120.178 120.211 -0.033 25428 1480 1 4 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.211 -0.069 25428 1481 1 4 . 1 1 72 72 PHE C C 72 175.653 175.653 176.996 -1.343 25428 1482 1 4 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.601 -2.684 25428 1483 1 4 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.448 -2.094 25428 1484 1 4 . 1 1 73 73 LEU N N 73 121.921 121.921 121.522 0.399 25428 1485 1 4 . 1 1 73 73 LEU HA H 73 3.753 3.753 4.327 -0.574 25428 1486 1 4 . 1 1 73 73 LEU C C 73 175.921 175.921 178.669 -2.748 25428 1487 1 4 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.668 -2.984 25428 1488 1 4 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.416 -3.992 25428 1489 1 4 . 1 1 74 74 CYS N N 74 116.964 116.964 117.129 -0.165 25428 1490 1 4 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.205 -0.093 25428 1491 1 4 . 1 1 74 74 CYS C C 74 174.901 174.901 177.549 -2.648 25428 1492 1 4 . 1 1 74 74 CYS CA C 74 61.104 61.104 63.295 -2.191 25428 1493 1 4 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.056 -2.424 25428 1494 1 4 . 1 1 75 75 GLY N N 75 110.524 110.524 108.514 2.010 25428 1495 1 4 . 1 1 75 75 GLY C C 75 173.633 173.633 175.858 -2.225 25428 1496 1 4 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.325 -2.940 25428 1497 1 4 . 1 1 76 76 VAL N N 76 124.398 124.398 123.579 0.819 25428 1498 1 4 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.731 -0.220 25428 1499 1 4 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.592 -3.201 25428 1500 1 4 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.692 -3.193 25428 1501 1 4 . 1 1 77 77 MET N N 77 118.057 118.057 118.280 -0.223 25428 1502 1 4 . 1 1 77 77 MET HA H 77 3.755 3.755 4.037 -0.282 25428 1503 1 4 . 1 1 77 77 MET CA C 77 57.770 57.770 59.788 -2.018 25428 1504 1 4 . 1 1 77 77 MET CB C 77 31.029 31.029 32.105 -1.075 25428 1505 1 4 . 1 1 78 78 LYS N N 78 118.765 118.765 119.770 -1.005 25428 1506 1 4 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.024 -0.057 25428 1507 1 4 . 1 1 78 78 LYS CA C 78 57.157 57.157 59.913 -2.756 25428 1508 1 4 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.392 -2.800 25428 1509 1 4 . 1 1 79 79 THR N N 79 114.076 114.076 115.157 -1.081 25428 1510 1 4 . 1 1 79 79 THR HA H 79 3.893 3.893 4.240 -0.347 25428 1511 1 4 . 1 1 79 79 THR CA C 79 62.715 62.715 65.969 -3.254 25428 1512 1 4 . 1 1 79 79 THR CB C 79 65.978 65.978 68.605 -2.627 25428 1513 1 4 . 1 1 80 80 TYR N N 80 123.194 123.194 121.528 1.666 25428 1514 1 4 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.242 -0.224 25428 1515 1 4 . 1 1 80 80 TYR CA C 80 58.832 58.832 62.072 -3.240 25428 1516 1 4 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.514 -2.354 25428 1517 1 4 . 1 1 81 81 ARG N N 81 118.541 118.541 114.638 3.903 25428 1518 1 4 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.476 -0.420 25428 1519 1 4 . 1 1 81 81 ARG CA C 81 55.189 55.189 55.674 -0.485 25428 1520 1 4 . 1 1 81 81 ARG CB C 81 27.670 27.670 31.303 -3.633 25428 1521 1 4 . 1 1 82 82 GLN N N 82 117.664 117.664 120.439 -2.775 25428 1522 1 4 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.553 -0.442 25428 1523 1 4 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.575 -1.695 25428 1524 1 4 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.660 -3.672 25428 1525 1 4 . 1 1 83 83 ARG N N 83 119.552 119.552 119.602 -0.050 25428 1526 1 4 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.486 -0.371 25428 1527 1 4 . 1 1 83 83 ARG CA C 83 53.889 53.889 56.180 -2.291 25428 1528 1 4 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.548 -2.737 25428 1529 1 4 . 1 1 84 84 GLU N N 84 121.362 121.362 119.243 2.119 25428 1530 1 4 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.437 -0.304 25428 1531 1 4 . 1 1 84 84 GLU CA C 84 53.838 53.838 55.524 -1.686 25428 1532 1 4 . 1 1 84 84 GLU CB C 84 27.445 27.445 27.526 -0.081 25428 1533 1 5 . 1 1 2 2 SER N N 2 119.046 119.046 114.274 4.772 25428 1534 1 5 . 1 1 2 2 SER HA H 2 4.509 4.509 4.894 -0.385 25428 1535 1 5 . 1 1 2 2 SER C C 2 172.827 172.827 175.195 -2.368 25428 1536 1 5 . 1 1 2 2 SER CA C 2 55.872 55.872 56.503 -0.631 25428 1537 1 5 . 1 1 2 2 SER CB C 2 61.645 61.645 65.334 -3.689 25428 1538 1 5 . 1 1 3 3 GLU N N 3 121.401 121.401 121.863 -0.462 25428 1539 1 5 . 1 1 3 3 GLU HA H 3 4.172 4.172 3.987 0.185 25428 1540 1 5 . 1 1 3 3 GLU C C 3 174.375 174.375 178.214 -3.839 25428 1541 1 5 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.911 -4.266 25428 1542 1 5 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.203 -2.940 25428 1543 1 5 . 1 1 4 4 ASN N N 4 117.467 117.467 118.565 -1.098 25428 1544 1 5 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.350 0.189 25428 1545 1 5 . 1 1 4 4 ASN C C 4 172.792 172.792 177.272 -4.480 25428 1546 1 5 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.604 -4.036 25428 1547 1 5 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.138 -1.510 25428 1548 1 5 . 1 1 5 5 PHE N N 5 121.588 121.588 121.814 -0.226 25428 1549 1 5 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.215 -0.236 25428 1550 1 5 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.590 -2.910 25428 1551 1 5 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.837 -2.611 25428 1552 1 5 . 1 1 6 6 GLN N N 6 117.868 117.868 117.830 0.038 25428 1553 1 5 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.865 -0.387 25428 1554 1 5 . 1 1 6 6 GLN C C 6 174.670 174.670 178.076 -3.406 25428 1555 1 5 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.848 -3.547 25428 1556 1 5 . 1 1 6 6 GLN CB C 6 25.257 25.257 28.052 -2.795 25428 1557 1 5 . 1 1 7 7 THR N N 7 114.124 114.124 117.126 -3.002 25428 1558 1 5 . 1 1 7 7 THR HA H 7 3.862 3.862 3.916 -0.054 25428 1559 1 5 . 1 1 7 7 THR C C 7 173.949 173.949 177.364 -3.415 25428 1560 1 5 . 1 1 7 7 THR CA C 7 62.909 62.909 66.756 -3.847 25428 1561 1 5 . 1 1 7 7 THR CB C 7 65.814 65.814 68.482 -2.668 25428 1562 1 5 . 1 1 8 8 LEU N N 8 121.809 121.809 121.817 -0.008 25428 1563 1 5 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.025 -0.132 25428 1564 1 5 . 1 1 8 8 LEU C C 8 175.915 175.915 179.078 -3.163 25428 1565 1 5 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.868 -3.256 25428 1566 1 5 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.843 -2.816 25428 1567 1 5 . 1 1 9 9 LEU N N 9 119.407 119.407 116.099 3.308 25428 1568 1 5 . 1 1 9 9 LEU HA H 9 3.999 3.999 3.974 0.025 25428 1569 1 5 . 1 1 9 9 LEU C C 9 179.642 179.642 177.313 2.329 25428 1570 1 5 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.493 -2.100 25428 1571 1 5 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.624 -3.281 25428 1572 1 5 . 1 1 10 10 ASP N N 10 122.019 122.019 117.530 4.489 25428 1573 1 5 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.606 -0.377 25428 1574 1 5 . 1 1 10 10 ASP C C 10 174.743 174.743 175.911 -1.168 25428 1575 1 5 . 1 1 10 10 ASP CA C 10 53.829 53.829 54.323 -0.494 25428 1576 1 5 . 1 1 10 10 ASP CB C 10 36.965 36.965 42.050 -5.085 25428 1577 1 5 . 1 1 11 11 ALA N N 11 121.088 121.088 121.933 -0.845 25428 1578 1 5 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.608 -0.400 25428 1579 1 5 . 1 1 11 11 ALA C C 11 174.553 174.553 177.453 -2.900 25428 1580 1 5 . 1 1 11 11 ALA CA C 11 49.682 49.682 51.604 -1.922 25428 1581 1 5 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.829 -3.438 25428 1582 1 5 . 1 1 12 12 GLY N N 12 104.096 104.096 106.519 -2.423 25428 1583 1 5 . 1 1 12 12 GLY C C 12 172.183 172.183 174.216 -2.033 25428 1584 1 5 . 1 1 12 12 GLY CA C 12 42.150 42.150 45.360 -3.210 25428 1585 1 5 . 1 1 13 13 LEU N N 13 120.523 120.523 120.089 0.434 25428 1586 1 5 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.819 -0.454 25428 1587 1 5 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.558 -1.405 25428 1588 1 5 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.899 -4.413 25428 1589 1 5 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.621 -0.270 25428 1590 1 5 . 1 1 14 14 PRO C C 14 174.611 174.611 177.437 -2.826 25428 1591 1 5 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.288 -2.560 25428 1592 1 5 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.951 -3.148 25428 1593 1 5 . 1 1 15 15 GLN N N 15 124.429 124.429 121.045 3.384 25428 1594 1 5 . 1 1 15 15 GLN HA H 15 3.689 3.689 4.026 -0.337 25428 1595 1 5 . 1 1 15 15 GLN C C 15 174.848 174.848 177.939 -3.091 25428 1596 1 5 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.158 -2.308 25428 1597 1 5 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.828 -3.495 25428 1598 1 5 . 1 1 16 16 LYS N N 16 115.638 115.638 119.182 -3.544 25428 1599 1 5 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.089 -0.067 25428 1600 1 5 . 1 1 16 16 LYS C C 16 176.800 176.800 178.813 -2.013 25428 1601 1 5 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.448 -2.824 25428 1602 1 5 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.931 -2.094 25428 1603 1 5 . 1 1 17 17 VAL N N 17 118.513 118.513 119.110 -0.597 25428 1604 1 5 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.644 -0.254 25428 1605 1 5 . 1 1 17 17 VAL C C 17 173.946 173.946 177.884 -3.938 25428 1606 1 5 . 1 1 17 17 VAL CA C 17 62.811 62.811 66.023 -3.212 25428 1607 1 5 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.710 -2.622 25428 1608 1 5 . 1 1 18 18 ALA N N 18 121.811 121.811 122.086 -0.275 25428 1609 1 5 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.927 -0.194 25428 1610 1 5 . 1 1 18 18 ALA C C 18 176.571 176.571 179.748 -3.177 25428 1611 1 5 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.567 -3.048 25428 1612 1 5 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.963 -2.347 25428 1613 1 5 . 1 1 19 19 GLU N N 19 116.183 116.183 117.905 -1.722 25428 1614 1 5 . 1 1 19 19 GLU HA H 19 3.913 3.913 3.916 -0.003 25428 1615 1 5 . 1 1 19 19 GLU C C 19 176.184 176.184 179.461 -3.277 25428 1616 1 5 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.959 -3.127 25428 1617 1 5 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.480 -2.366 25428 1618 1 5 . 1 1 20 20 LYS N N 20 120.202 120.202 118.652 1.550 25428 1619 1 5 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.081 -0.018 25428 1620 1 5 . 1 1 20 20 LYS C C 20 175.707 175.707 179.012 -3.305 25428 1621 1 5 . 1 1 20 20 LYS CA C 20 54.340 54.340 58.545 -4.205 25428 1622 1 5 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.158 -5.006 25428 1623 1 5 . 1 1 21 21 LEU N N 21 120.188 120.188 119.443 0.745 25428 1624 1 5 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.110 -0.206 25428 1625 1 5 . 1 1 21 21 LEU C C 21 175.138 175.138 178.697 -3.559 25428 1626 1 5 . 1 1 21 21 LEU CA C 21 54.762 54.762 56.935 -2.173 25428 1627 1 5 . 1 1 21 21 LEU CB C 21 38.389 38.389 41.926 -3.538 25428 1628 1 5 . 1 1 22 22 ASP N N 22 118.729 118.729 120.823 -2.094 25428 1629 1 5 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.539 -0.114 25428 1630 1 5 . 1 1 22 22 ASP C C 22 175.147 175.147 178.224 -3.077 25428 1631 1 5 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.858 -2.582 25428 1632 1 5 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.819 -1.516 25428 1633 1 5 . 1 1 23 23 GLU N N 23 117.201 117.201 118.320 -1.119 25428 1634 1 5 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.110 -0.221 25428 1635 1 5 . 1 1 23 23 GLU C C 23 177.140 177.140 179.246 -2.106 25428 1636 1 5 . 1 1 23 23 GLU CA C 23 56.749 56.749 58.680 -1.931 25428 1637 1 5 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.394 -2.353 25428 1638 1 5 . 1 1 24 24 ILE N N 24 121.465 121.465 120.021 1.444 25428 1639 1 5 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.633 -0.026 25428 1640 1 5 . 1 1 24 24 ILE C C 24 174.918 174.918 177.470 -2.552 25428 1641 1 5 . 1 1 24 24 ILE CA C 24 63.184 63.184 64.390 -1.206 25428 1642 1 5 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.541 -2.574 25428 1643 1 5 . 1 1 25 25 TYR N N 25 120.955 120.955 119.082 1.873 25428 1644 1 5 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.764 0.048 25428 1645 1 5 . 1 1 25 25 TYR C C 25 179.018 179.018 179.062 -0.044 25428 1646 1 5 . 1 1 25 25 TYR CA C 25 56.172 56.172 59.334 -3.162 25428 1647 1 5 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.250 -3.831 25428 1648 1 5 . 1 1 26 26 VAL N N 26 123.429 123.429 118.550 4.879 25428 1649 1 5 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.746 -0.155 25428 1650 1 5 . 1 1 26 26 VAL C C 26 175.383 175.383 177.150 -1.767 25428 1651 1 5 . 1 1 26 26 VAL CA C 26 63.501 63.501 65.546 -2.045 25428 1652 1 5 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.009 -2.016 25428 1653 1 5 . 1 1 27 27 ALA N N 27 120.082 120.082 119.413 0.669 25428 1654 1 5 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.258 -0.053 25428 1655 1 5 . 1 1 27 27 ALA C C 27 175.640 175.640 178.045 -2.405 25428 1656 1 5 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.426 -2.156 25428 1657 1 5 . 1 1 27 27 ALA CB C 27 15.992 15.992 19.212 -3.220 25428 1658 1 5 . 1 1 28 28 GLY N N 28 105.543 105.543 106.005 -0.462 25428 1659 1 5 . 1 1 28 28 GLY C C 28 172.315 172.315 174.933 -2.618 25428 1660 1 5 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.476 -2.937 25428 1661 1 5 . 1 1 29 29 LEU N N 29 119.155 119.155 120.247 -1.092 25428 1662 1 5 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.216 -0.211 25428 1663 1 5 . 1 1 29 29 LEU C C 29 173.807 173.807 176.410 -2.603 25428 1664 1 5 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.442 -2.362 25428 1665 1 5 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.482 -2.696 25428 1666 1 5 . 1 1 30 30 VAL N N 30 109.334 109.334 109.278 0.056 25428 1667 1 5 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.524 -0.308 25428 1668 1 5 . 1 1 30 30 VAL C C 30 170.244 170.244 174.828 -4.584 25428 1669 1 5 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.470 -3.026 25428 1670 1 5 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.552 -2.187 25428 1671 1 5 . 1 1 31 31 ALA N N 31 126.238 126.238 122.309 3.929 25428 1672 1 5 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.599 -0.040 25428 1673 1 5 . 1 1 31 31 ALA C C 31 176.016 176.016 178.509 -2.493 25428 1674 1 5 . 1 1 31 31 ALA CA C 31 47.470 47.470 51.275 -3.805 25428 1675 1 5 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.099 -2.059 25428 1676 1 5 . 1 1 32 32 HIS N N 32 120.680 120.680 119.344 1.336 25428 1677 1 5 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.048 0.942 25428 1678 1 5 . 1 1 32 32 HIS C C 32 174.379 174.379 176.672 -2.293 25428 1679 1 5 . 1 1 32 32 HIS CA C 32 56.668 56.668 57.040 -0.372 25428 1680 1 5 . 1 1 32 32 HIS CB C 32 26.452 26.452 28.843 -2.391 25428 1681 1 5 . 1 1 33 33 SER N N 33 109.997 109.997 113.325 -3.328 25428 1682 1 5 . 1 1 33 33 SER HA H 33 4.125 4.125 4.394 -0.269 25428 1683 1 5 . 1 1 33 33 SER C C 33 172.444 172.444 174.622 -2.178 25428 1684 1 5 . 1 1 33 33 SER CA C 33 56.158 56.158 59.188 -3.030 25428 1685 1 5 . 1 1 33 33 SER CB C 33 60.045 60.045 62.424 -2.379 25428 1686 1 5 . 1 1 34 34 ASP N N 34 119.785 119.785 120.149 -0.364 25428 1687 1 5 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.626 -0.106 25428 1688 1 5 . 1 1 34 34 ASP CA C 34 53.516 53.516 54.910 -1.394 25428 1689 1 5 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.460 -1.970 25428 1690 1 5 . 1 1 35 35 LEU N N 35 118.248 118.248 118.242 0.006 25428 1691 1 5 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.647 -0.194 25428 1692 1 5 . 1 1 35 35 LEU CA C 35 50.364 50.364 53.088 -2.724 25428 1693 1 5 . 1 1 35 35 LEU CB C 35 38.642 38.642 43.432 -4.790 25428 1694 1 5 . 1 1 36 36 ASP N N 36 122.922 122.922 118.954 3.968 25428 1695 1 5 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.832 -0.407 25428 1696 1 5 . 1 1 36 36 ASP C C 36 173.050 173.050 177.209 -4.159 25428 1697 1 5 . 1 1 36 36 ASP CA C 36 49.746 49.746 52.904 -3.158 25428 1698 1 5 . 1 1 36 36 ASP CB C 36 39.169 39.169 43.141 -3.972 25428 1699 1 5 . 1 1 37 37 GLU N N 37 119.277 119.277 121.682 -2.405 25428 1700 1 5 . 1 1 37 37 GLU HA H 37 3.826 3.826 3.990 -0.164 25428 1701 1 5 . 1 1 37 37 GLU C C 37 175.878 175.878 177.697 -1.819 25428 1702 1 5 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.937 -3.013 25428 1703 1 5 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.597 -3.186 25428 1704 1 5 . 1 1 38 38 ARG N N 38 117.965 117.965 116.321 1.644 25428 1705 1 5 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.079 -0.147 25428 1706 1 5 . 1 1 38 38 ARG C C 38 176.285 176.285 178.361 -2.076 25428 1707 1 5 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.588 -2.782 25428 1708 1 5 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.559 1.407 25428 1709 1 5 . 1 1 39 39 ALA N N 39 123.247 123.247 122.288 0.959 25428 1710 1 5 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.289 -0.411 25428 1711 1 5 . 1 1 39 39 ALA C C 39 175.872 175.872 179.144 -3.272 25428 1712 1 5 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.222 -1.980 25428 1713 1 5 . 1 1 39 39 ALA CB C 39 15.191 15.191 19.030 -3.839 25428 1714 1 5 . 1 1 40 40 ILE N N 40 116.462 116.462 120.141 -3.679 25428 1715 1 5 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.692 -0.248 25428 1716 1 5 . 1 1 40 40 ILE C C 40 175.056 175.056 177.891 -2.835 25428 1717 1 5 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.513 -2.665 25428 1718 1 5 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.595 -2.974 25428 1719 1 5 . 1 1 41 41 GLU N N 41 117.817 117.817 120.199 -2.382 25428 1720 1 5 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.965 -0.180 25428 1721 1 5 . 1 1 41 41 GLU C C 41 176.503 176.503 178.970 -2.467 25428 1722 1 5 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.649 -3.238 25428 1723 1 5 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.716 -3.357 25428 1724 1 5 . 1 1 42 42 ALA N N 42 120.852 120.852 121.099 -0.247 25428 1725 1 5 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.207 -0.139 25428 1726 1 5 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.500 -2.523 25428 1727 1 5 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.478 -3.149 25428 1728 1 5 . 1 1 43 43 LEU N N 43 120.443 120.443 118.585 1.858 25428 1729 1 5 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.048 0.091 25428 1730 1 5 . 1 1 43 43 LEU C C 43 176.351 176.351 178.976 -2.625 25428 1731 1 5 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.800 -2.946 25428 1732 1 5 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.849 -2.263 25428 1733 1 5 . 1 1 44 44 LYS N N 44 116.644 116.644 116.140 0.504 25428 1734 1 5 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.111 -0.086 25428 1735 1 5 . 1 1 44 44 LYS C C 44 174.406 174.406 177.689 -3.283 25428 1736 1 5 . 1 1 44 44 LYS CA C 44 55.431 55.431 57.931 -2.500 25428 1737 1 5 . 1 1 44 44 LYS CB C 44 29.673 29.673 31.720 -2.047 25428 1738 1 5 . 1 1 45 45 GLU N N 45 115.882 115.882 116.516 -0.634 25428 1739 1 5 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.136 -0.122 25428 1740 1 5 . 1 1 45 45 GLU C C 45 174.383 174.383 176.856 -2.473 25428 1741 1 5 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.926 -2.645 25428 1742 1 5 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.890 -2.893 25428 1743 1 5 . 1 1 46 46 PHE N N 46 118.293 118.293 119.157 -0.864 25428 1744 1 5 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.467 -0.119 25428 1745 1 5 . 1 1 46 46 PHE C C 46 173.933 173.933 175.249 -1.316 25428 1746 1 5 . 1 1 46 46 PHE CA C 46 55.339 55.339 57.952 -2.613 25428 1747 1 5 . 1 1 46 46 PHE CB C 46 38.417 38.417 39.895 -1.478 25428 1748 1 5 . 1 1 47 47 ASN N N 47 117.552 117.552 122.431 -4.879 25428 1749 1 5 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.634 -0.027 25428 1750 1 5 . 1 1 47 47 ASN C C 47 172.500 172.500 176.390 -3.890 25428 1751 1 5 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.932 -3.272 25428 1752 1 5 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.551 -4.365 25428 1753 1 5 . 1 1 48 48 GLU N N 48 121.194 121.194 119.172 2.022 25428 1754 1 5 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.939 -0.261 25428 1755 1 5 . 1 1 48 48 GLU C C 48 174.313 174.313 178.353 -4.040 25428 1756 1 5 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.083 -1.697 25428 1757 1 5 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.663 -2.070 25428 1758 1 5 . 1 1 49 49 ASP N N 49 115.316 115.316 117.791 -2.475 25428 1759 1 5 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.580 -0.357 25428 1760 1 5 . 1 1 49 49 ASP C C 49 176.778 176.778 178.580 -1.802 25428 1761 1 5 . 1 1 49 49 ASP CA C 49 54.688 54.688 56.162 -1.474 25428 1762 1 5 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.807 -3.366 25428 1763 1 5 . 1 1 50 50 GLY N N 50 109.745 109.745 108.496 1.249 25428 1764 1 5 . 1 1 50 50 GLY C C 50 171.469 171.469 175.433 -3.964 25428 1765 1 5 . 1 1 50 50 GLY CA C 50 44.341 44.341 47.140 -2.799 25428 1766 1 5 . 1 1 51 51 ALA N N 51 123.698 123.698 124.757 -1.059 25428 1767 1 5 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.730 -0.363 25428 1768 1 5 . 1 1 51 51 ALA C C 51 177.022 177.022 179.560 -2.538 25428 1769 1 5 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.910 -2.747 25428 1770 1 5 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.240 -1.430 25428 1771 1 5 . 1 1 52 52 LEU N N 52 115.728 115.728 118.708 -2.980 25428 1772 1 5 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.973 -0.185 25428 1773 1 5 . 1 1 52 52 LEU C C 52 176.760 176.760 179.003 -2.243 25428 1774 1 5 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.182 -1.921 25428 1775 1 5 . 1 1 52 52 LEU CB C 52 38.006 38.006 40.665 -2.659 25428 1776 1 5 . 1 1 53 53 ALA N N 53 123.490 123.490 122.825 0.665 25428 1777 1 5 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.025 -0.005 25428 1778 1 5 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.904 -2.466 25428 1779 1 5 . 1 1 53 53 ALA CB C 53 15.446 15.446 18.279 -2.833 25428 1780 1 5 . 1 1 54 54 VAL N N 54 119.648 119.648 119.686 -0.038 25428 1781 1 5 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.132 -0.054 25428 1782 1 5 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.453 -3.504 25428 1783 1 5 . 1 1 54 54 VAL CB C 54 28.357 28.357 31.057 -2.700 25428 1784 1 5 . 1 1 55 55 LEU N N 55 118.185 118.185 118.515 -0.330 25428 1785 1 5 . 1 1 55 55 LEU HA H 55 3.841 3.841 4.059 -0.218 25428 1786 1 5 . 1 1 55 55 LEU C C 55 175.988 175.988 178.766 -2.778 25428 1787 1 5 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.655 -3.000 25428 1788 1 5 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.410 -2.560 25428 1789 1 5 . 1 1 56 56 GLN N N 56 120.271 120.271 118.664 1.607 25428 1790 1 5 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.977 -0.222 25428 1791 1 5 . 1 1 56 56 GLN C C 56 174.357 174.357 178.325 -3.968 25428 1792 1 5 . 1 1 56 56 GLN CA C 56 55.719 55.719 58.749 -3.030 25428 1793 1 5 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.214 -2.997 25428 1794 1 5 . 1 1 57 57 GLN N N 57 117.610 117.610 119.766 -2.156 25428 1795 1 5 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.210 -0.215 25428 1796 1 5 . 1 1 57 57 GLN C C 57 177.125 177.125 178.003 -0.878 25428 1797 1 5 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.352 -2.292 25428 1798 1 5 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.973 -3.825 25428 1799 1 5 . 1 1 58 58 PHE N N 58 120.365 120.365 121.598 -1.233 25428 1800 1 5 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.319 -0.119 25428 1801 1 5 . 1 1 58 58 PHE C C 58 172.960 172.960 177.776 -4.816 25428 1802 1 5 . 1 1 58 58 PHE CA C 58 58.622 58.622 60.868 -2.246 25428 1803 1 5 . 1 1 58 58 PHE CB C 58 37.309 37.309 38.974 -1.665 25428 1804 1 5 . 1 1 59 59 LYS N N 59 117.757 117.757 117.482 0.275 25428 1805 1 5 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.703 -0.076 25428 1806 1 5 . 1 1 59 59 LYS C C 59 174.015 174.015 177.296 -3.281 25428 1807 1 5 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.510 -2.283 25428 1808 1 5 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.216 -2.738 25428 1809 1 5 . 1 1 60 60 ASP N N 60 116.580 116.580 118.729 -2.149 25428 1810 1 5 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.656 -0.026 25428 1811 1 5 . 1 1 60 60 ASP C C 60 174.154 174.154 176.019 -1.865 25428 1812 1 5 . 1 1 60 60 ASP CA C 60 51.754 51.754 55.031 -3.276 25428 1813 1 5 . 1 1 60 60 ASP CB C 60 38.013 38.013 40.618 -2.605 25428 1814 1 5 . 1 1 61 61 SER N N 61 117.142 117.142 114.690 2.452 25428 1815 1 5 . 1 1 61 61 SER HA H 61 4.383 4.383 4.668 -0.285 25428 1816 1 5 . 1 1 61 61 SER C C 61 169.538 169.538 173.261 -3.723 25428 1817 1 5 . 1 1 61 61 SER CA C 61 56.682 56.682 57.428 -0.746 25428 1818 1 5 . 1 1 61 61 SER CB C 61 61.698 61.698 65.190 -3.492 25428 1819 1 5 . 1 1 62 62 ASP N N 62 120.580 120.580 121.615 -1.035 25428 1820 1 5 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.670 -0.120 25428 1821 1 5 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.653 -3.387 25428 1822 1 5 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.679 -4.500 25428 1823 1 5 . 1 1 63 63 LEU N N 63 126.269 126.269 125.815 0.454 25428 1824 1 5 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.241 -0.430 25428 1825 1 5 . 1 1 63 63 LEU CA C 63 51.921 51.921 54.651 -2.730 25428 1826 1 5 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.881 -2.878 25428 1827 1 5 . 1 1 64 64 SER N N 64 116.388 116.388 115.004 1.384 25428 1828 1 5 . 1 1 64 64 SER HA H 64 3.862 3.862 4.049 -0.187 25428 1829 1 5 . 1 1 64 64 SER C C 64 172.812 172.812 174.802 -1.990 25428 1830 1 5 . 1 1 64 64 SER CA C 64 58.914 58.914 60.726 -1.812 25428 1831 1 5 . 1 1 64 64 SER CB C 64 59.851 59.851 63.071 -3.220 25428 1832 1 5 . 1 1 65 65 HIS N N 65 117.601 117.601 115.885 1.716 25428 1833 1 5 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.738 -0.025 25428 1834 1 5 . 1 1 65 65 HIS C C 65 171.008 171.008 174.615 -3.607 25428 1835 1 5 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.051 -2.815 25428 1836 1 5 . 1 1 65 65 HIS CB C 65 25.765 25.765 30.327 -4.562 25428 1837 1 5 . 1 1 66 66 VAL N N 66 121.466 121.466 122.280 -0.814 25428 1838 1 5 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.035 -0.178 25428 1839 1 5 . 1 1 66 66 VAL C C 66 172.336 172.336 177.428 -5.092 25428 1840 1 5 . 1 1 66 66 VAL CA C 66 59.147 59.147 63.329 -4.182 25428 1841 1 5 . 1 1 66 66 VAL CB C 66 29.577 29.577 32.817 -3.240 25428 1842 1 5 . 1 1 67 67 GLN N N 67 127.282 127.282 122.691 4.591 25428 1843 1 5 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.280 -0.131 25428 1844 1 5 . 1 1 67 67 GLN CA C 67 55.100 55.100 57.867 -2.767 25428 1845 1 5 . 1 1 67 67 GLN CB C 67 26.315 26.315 29.289 -2.974 25428 1846 1 5 . 1 1 68 68 ASN N N 68 117.044 117.044 118.121 -1.077 25428 1847 1 5 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.849 0.086 25428 1848 1 5 . 1 1 68 68 ASN CA C 68 48.730 48.730 52.415 -3.685 25428 1849 1 5 . 1 1 68 68 ASN CB C 68 35.131 35.131 40.801 -5.670 25428 1850 1 5 . 1 1 69 69 LYS N N 69 125.145 125.145 123.712 1.433 25428 1851 1 5 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.161 -0.228 25428 1852 1 5 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.129 -1.524 25428 1853 1 5 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.248 -1.954 25428 1854 1 5 . 1 1 70 70 SER N N 70 116.020 116.020 114.967 1.053 25428 1855 1 5 . 1 1 70 70 SER HA H 70 4.220 4.220 4.219 0.001 25428 1856 1 5 . 1 1 70 70 SER CA C 70 59.898 59.898 61.460 -1.562 25428 1857 1 5 . 1 1 70 70 SER CB C 70 59.848 59.848 62.359 -2.511 25428 1858 1 5 . 1 1 71 71 ALA N N 71 123.444 123.444 125.670 -2.226 25428 1859 1 5 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.051 -0.077 25428 1860 1 5 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.825 -2.955 25428 1861 1 5 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.347 -3.280 25428 1862 1 5 . 1 1 72 72 PHE N N 72 120.178 120.178 119.305 0.873 25428 1863 1 5 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.208 -0.066 25428 1864 1 5 . 1 1 72 72 PHE C C 72 175.653 175.653 177.040 -1.387 25428 1865 1 5 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.881 -2.964 25428 1866 1 5 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.249 -1.895 25428 1867 1 5 . 1 1 73 73 LEU N N 73 121.921 121.921 121.208 0.713 25428 1868 1 5 . 1 1 73 73 LEU HA H 73 3.753 3.753 4.020 -0.267 25428 1869 1 5 . 1 1 73 73 LEU C C 73 175.921 175.921 178.312 -2.391 25428 1870 1 5 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.557 -2.873 25428 1871 1 5 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.550 -4.126 25428 1872 1 5 . 1 1 74 74 CYS N N 74 116.964 116.964 117.449 -0.485 25428 1873 1 5 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.051 0.061 25428 1874 1 5 . 1 1 74 74 CYS C C 74 174.901 174.901 176.892 -1.991 25428 1875 1 5 . 1 1 74 74 CYS CA C 74 61.104 61.104 62.831 -1.727 25428 1876 1 5 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.914 -3.282 25428 1877 1 5 . 1 1 75 75 GLY N N 75 110.524 110.524 108.064 2.460 25428 1878 1 5 . 1 1 75 75 GLY C C 75 173.633 173.633 175.753 -2.120 25428 1879 1 5 . 1 1 75 75 GLY CA C 75 44.385 44.385 46.929 -2.544 25428 1880 1 5 . 1 1 76 76 VAL N N 76 124.398 124.398 123.096 1.302 25428 1881 1 5 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.534 -0.023 25428 1882 1 5 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.417 -3.026 25428 1883 1 5 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.846 -3.347 25428 1884 1 5 . 1 1 77 77 MET N N 77 118.057 118.057 118.099 -0.042 25428 1885 1 5 . 1 1 77 77 MET HA H 77 3.755 3.755 4.045 -0.290 25428 1886 1 5 . 1 1 77 77 MET CA C 77 57.770 57.770 59.890 -2.120 25428 1887 1 5 . 1 1 77 77 MET CB C 77 31.029 31.029 32.141 -1.112 25428 1888 1 5 . 1 1 78 78 LYS N N 78 118.765 118.765 119.065 -0.300 25428 1889 1 5 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.068 -0.101 25428 1890 1 5 . 1 1 78 78 LYS CA C 78 57.157 57.157 59.887 -2.730 25428 1891 1 5 . 1 1 78 78 LYS CB C 78 29.592 29.592 31.761 -2.169 25428 1892 1 5 . 1 1 79 79 THR N N 79 114.076 114.076 113.328 0.748 25428 1893 1 5 . 1 1 79 79 THR HA H 79 3.893 3.893 4.267 -0.374 25428 1894 1 5 . 1 1 79 79 THR CA C 79 62.715 62.715 65.030 -2.315 25428 1895 1 5 . 1 1 79 79 THR CB C 79 65.978 65.978 68.686 -2.708 25428 1896 1 5 . 1 1 80 80 TYR N N 80 123.194 123.194 120.194 3.000 25428 1897 1 5 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.370 -0.352 25428 1898 1 5 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.481 -2.649 25428 1899 1 5 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.624 -2.465 25428 1900 1 5 . 1 1 81 81 ARG N N 81 118.541 118.541 117.807 0.734 25428 1901 1 5 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.218 -0.162 25428 1902 1 5 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.352 -2.163 25428 1903 1 5 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.638 -2.968 25428 1904 1 5 . 1 1 82 82 GLN N N 82 117.664 117.664 118.210 -0.546 25428 1905 1 5 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.573 -0.462 25428 1906 1 5 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.201 -1.321 25428 1907 1 5 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.913 -3.925 25428 1908 1 5 . 1 1 83 83 ARG N N 83 119.552 119.552 122.136 -2.584 25428 1909 1 5 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.521 -0.406 25428 1910 1 5 . 1 1 83 83 ARG CA C 83 53.889 53.889 56.139 -2.250 25428 1911 1 5 . 1 1 83 83 ARG CB C 83 27.811 27.811 29.649 -1.838 25428 1912 1 5 . 1 1 84 84 GLU N N 84 121.362 121.362 122.190 -0.828 25428 1913 1 5 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.658 -0.525 25428 1914 1 5 . 1 1 84 84 GLU CA C 84 53.838 53.838 55.420 -1.582 25428 1915 1 5 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.574 -3.129 25428 1916 1 6 . 1 1 2 2 SER N N 2 119.046 119.046 114.860 4.186 25428 1917 1 6 . 1 1 2 2 SER HA H 2 4.509 4.509 4.680 -0.171 25428 1918 1 6 . 1 1 2 2 SER C C 2 172.827 172.827 176.501 -3.674 25428 1919 1 6 . 1 1 2 2 SER CA C 2 55.872 55.872 57.037 -1.165 25428 1920 1 6 . 1 1 2 2 SER CB C 2 61.645 61.645 64.910 -3.265 25428 1921 1 6 . 1 1 3 3 GLU N N 3 121.401 121.401 122.601 -1.200 25428 1922 1 6 . 1 1 3 3 GLU HA H 3 4.172 4.172 3.994 0.178 25428 1923 1 6 . 1 1 3 3 GLU C C 3 174.375 174.375 177.953 -3.578 25428 1924 1 6 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.380 -3.735 25428 1925 1 6 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.412 -3.149 25428 1926 1 6 . 1 1 4 4 ASN N N 4 117.467 117.467 117.586 -0.119 25428 1927 1 6 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.230 0.309 25428 1928 1 6 . 1 1 4 4 ASN C C 4 172.792 172.792 176.535 -3.743 25428 1929 1 6 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.078 -3.510 25428 1930 1 6 . 1 1 4 4 ASN CB C 4 36.628 36.628 37.517 -0.889 25428 1931 1 6 . 1 1 5 5 PHE N N 5 121.588 121.588 121.580 0.008 25428 1932 1 6 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.164 -0.185 25428 1933 1 6 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.369 -2.690 25428 1934 1 6 . 1 1 5 5 PHE CB C 5 36.226 36.226 39.000 -2.774 25428 1935 1 6 . 1 1 6 6 GLN N N 6 117.868 117.868 117.851 0.017 25428 1936 1 6 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.881 -0.403 25428 1937 1 6 . 1 1 6 6 GLN C C 6 174.670 174.670 178.335 -3.665 25428 1938 1 6 . 1 1 6 6 GLN CA C 6 55.301 55.301 59.025 -3.724 25428 1939 1 6 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.866 -2.609 25428 1940 1 6 . 1 1 7 7 THR N N 7 114.124 114.124 115.056 -0.932 25428 1941 1 6 . 1 1 7 7 THR HA H 7 3.862 3.862 4.061 -0.199 25428 1942 1 6 . 1 1 7 7 THR C C 7 173.949 173.949 176.595 -2.646 25428 1943 1 6 . 1 1 7 7 THR CA C 7 62.909 62.909 65.175 -2.266 25428 1944 1 6 . 1 1 7 7 THR CB C 7 65.814 65.814 68.311 -2.498 25428 1945 1 6 . 1 1 8 8 LEU N N 8 121.809 121.809 122.872 -1.063 25428 1946 1 6 . 1 1 8 8 LEU HA H 8 3.893 3.893 3.997 -0.104 25428 1947 1 6 . 1 1 8 8 LEU C C 8 175.915 175.915 178.322 -2.407 25428 1948 1 6 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.786 -3.174 25428 1949 1 6 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.090 -2.063 25428 1950 1 6 . 1 1 9 9 LEU N N 9 119.407 119.407 116.806 2.601 25428 1951 1 6 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.169 -0.170 25428 1952 1 6 . 1 1 9 9 LEU C C 9 179.642 179.642 178.657 0.985 25428 1953 1 6 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.658 -2.265 25428 1954 1 6 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.288 -2.945 25428 1955 1 6 . 1 1 10 10 ASP N N 10 122.019 122.019 119.226 2.793 25428 1956 1 6 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.519 -0.290 25428 1957 1 6 . 1 1 10 10 ASP C C 10 174.743 174.743 178.231 -3.488 25428 1958 1 6 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.957 -2.128 25428 1959 1 6 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.464 -4.499 25428 1960 1 6 . 1 1 11 11 ALA N N 11 121.088 121.088 121.385 -0.297 25428 1961 1 6 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.223 -0.015 25428 1962 1 6 . 1 1 11 11 ALA C C 11 174.553 174.553 177.324 -2.771 25428 1963 1 6 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.049 -2.367 25428 1964 1 6 . 1 1 11 11 ALA CB C 11 15.391 15.391 17.905 -2.514 25428 1965 1 6 . 1 1 12 12 GLY N N 12 104.096 104.096 105.375 -1.279 25428 1966 1 6 . 1 1 12 12 GLY C C 12 172.183 172.183 174.563 -2.380 25428 1967 1 6 . 1 1 12 12 GLY CA C 12 42.150 42.150 45.374 -3.224 25428 1968 1 6 . 1 1 13 13 LEU N N 13 120.523 120.523 121.285 -0.762 25428 1969 1 6 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.669 -0.304 25428 1970 1 6 . 1 1 13 13 LEU CA C 13 50.153 50.153 52.313 -2.160 25428 1971 1 6 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.007 -3.521 25428 1972 1 6 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.541 -0.190 25428 1973 1 6 . 1 1 14 14 PRO C C 14 174.611 174.611 177.345 -2.734 25428 1974 1 6 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.332 -2.604 25428 1975 1 6 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.783 -2.980 25428 1976 1 6 . 1 1 15 15 GLN N N 15 124.429 124.429 120.861 3.568 25428 1977 1 6 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.991 -0.302 25428 1978 1 6 . 1 1 15 15 GLN C C 15 174.848 174.848 177.830 -2.982 25428 1979 1 6 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.173 -2.323 25428 1980 1 6 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.764 -3.431 25428 1981 1 6 . 1 1 16 16 LYS N N 16 115.638 115.638 119.220 -3.582 25428 1982 1 6 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.161 -0.139 25428 1983 1 6 . 1 1 16 16 LYS C C 16 176.800 176.800 179.113 -2.313 25428 1984 1 6 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.267 -2.643 25428 1985 1 6 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.635 -1.798 25428 1986 1 6 . 1 1 17 17 VAL N N 17 118.513 118.513 118.849 -0.336 25428 1987 1 6 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.589 -0.199 25428 1988 1 6 . 1 1 17 17 VAL C C 17 173.946 173.946 177.626 -3.680 25428 1989 1 6 . 1 1 17 17 VAL CA C 17 62.811 62.811 66.106 -3.295 25428 1990 1 6 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.618 -2.530 25428 1991 1 6 . 1 1 18 18 ALA N N 18 121.811 121.811 122.064 -0.253 25428 1992 1 6 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.929 -0.196 25428 1993 1 6 . 1 1 18 18 ALA C C 18 176.571 176.571 179.785 -3.214 25428 1994 1 6 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.552 -3.033 25428 1995 1 6 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.984 -2.368 25428 1996 1 6 . 1 1 19 19 GLU N N 19 116.183 116.183 118.234 -2.051 25428 1997 1 6 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.106 -0.193 25428 1998 1 6 . 1 1 19 19 GLU C C 19 176.184 176.184 179.388 -3.204 25428 1999 1 6 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.921 -3.089 25428 2000 1 6 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.613 -2.499 25428 2001 1 6 . 1 1 20 20 LYS N N 20 120.202 120.202 118.472 1.730 25428 2002 1 6 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.188 -0.125 25428 2003 1 6 . 1 1 20 20 LYS C C 20 175.707 175.707 178.783 -3.076 25428 2004 1 6 . 1 1 20 20 LYS CA C 20 54.340 54.340 57.908 -3.568 25428 2005 1 6 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.101 -4.949 25428 2006 1 6 . 1 1 21 21 LEU N N 21 120.188 120.188 119.676 0.512 25428 2007 1 6 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.084 -0.180 25428 2008 1 6 . 1 1 21 21 LEU C C 21 175.138 175.138 178.855 -3.717 25428 2009 1 6 . 1 1 21 21 LEU CA C 21 54.762 54.762 58.285 -3.523 25428 2010 1 6 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.326 -3.937 25428 2011 1 6 . 1 1 22 22 ASP N N 22 118.729 118.729 121.021 -2.292 25428 2012 1 6 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.793 -0.368 25428 2013 1 6 . 1 1 22 22 ASP C C 22 175.147 175.147 178.174 -3.027 25428 2014 1 6 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.627 -2.351 25428 2015 1 6 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.807 -1.504 25428 2016 1 6 . 1 1 23 23 GLU N N 23 117.201 117.201 118.047 -0.846 25428 2017 1 6 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.134 -0.245 25428 2018 1 6 . 1 1 23 23 GLU C C 23 177.140 177.140 178.965 -1.825 25428 2019 1 6 . 1 1 23 23 GLU CA C 23 56.749 56.749 58.856 -2.107 25428 2020 1 6 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.308 -2.267 25428 2021 1 6 . 1 1 24 24 ILE N N 24 121.465 121.465 119.744 1.721 25428 2022 1 6 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.708 -0.101 25428 2023 1 6 . 1 1 24 24 ILE C C 24 174.918 174.918 177.541 -2.623 25428 2024 1 6 . 1 1 24 24 ILE CA C 24 63.184 63.184 64.666 -1.482 25428 2025 1 6 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.824 -2.857 25428 2026 1 6 . 1 1 25 25 TYR N N 25 120.955 120.955 116.905 4.050 25428 2027 1 6 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.743 0.069 25428 2028 1 6 . 1 1 25 25 TYR C C 25 179.018 179.018 177.429 1.589 25428 2029 1 6 . 1 1 25 25 TYR CA C 25 56.172 56.172 58.954 -2.782 25428 2030 1 6 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.017 -3.598 25428 2031 1 6 . 1 1 26 26 VAL N N 26 123.429 123.429 117.659 5.770 25428 2032 1 6 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.987 -0.396 25428 2033 1 6 . 1 1 26 26 VAL C C 26 175.383 175.383 176.720 -1.337 25428 2034 1 6 . 1 1 26 26 VAL CA C 26 63.501 63.501 63.615 -0.114 25428 2035 1 6 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.916 -2.923 25428 2036 1 6 . 1 1 27 27 ALA N N 27 120.082 120.082 121.561 -1.479 25428 2037 1 6 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.368 -0.163 25428 2038 1 6 . 1 1 27 27 ALA C C 27 175.640 175.640 177.618 -1.978 25428 2039 1 6 . 1 1 27 27 ALA CA C 27 50.270 50.270 51.566 -1.296 25428 2040 1 6 . 1 1 27 27 ALA CB C 27 15.992 15.992 19.163 -3.171 25428 2041 1 6 . 1 1 28 28 GLY N N 28 105.543 105.543 107.230 -1.687 25428 2042 1 6 . 1 1 28 28 GLY C C 28 172.315 172.315 175.330 -3.015 25428 2043 1 6 . 1 1 28 28 GLY CA C 28 42.539 42.539 46.268 -3.729 25428 2044 1 6 . 1 1 29 29 LEU N N 29 119.155 119.155 119.755 -0.600 25428 2045 1 6 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.189 -0.184 25428 2046 1 6 . 1 1 29 29 LEU C C 29 173.807 173.807 177.466 -3.659 25428 2047 1 6 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.570 -2.490 25428 2048 1 6 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.345 -2.559 25428 2049 1 6 . 1 1 30 30 VAL N N 30 109.334 109.334 110.036 -0.702 25428 2050 1 6 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.612 -0.396 25428 2051 1 6 . 1 1 30 30 VAL C C 30 170.244 170.244 174.214 -3.970 25428 2052 1 6 . 1 1 30 30 VAL CA C 30 56.444 56.444 60.053 -3.610 25428 2053 1 6 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.420 -2.055 25428 2054 1 6 . 1 1 31 31 ALA N N 31 126.238 126.238 121.013 5.225 25428 2055 1 6 . 1 1 31 31 ALA HA H 31 4.559 4.559 5.107 -0.548 25428 2056 1 6 . 1 1 31 31 ALA C C 31 176.016 176.016 177.861 -1.845 25428 2057 1 6 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.547 -3.077 25428 2058 1 6 . 1 1 31 31 ALA CB C 31 18.040 18.040 21.592 -3.552 25428 2059 1 6 . 1 1 32 32 HIS N N 32 120.680 120.680 119.256 1.424 25428 2060 1 6 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.248 0.742 25428 2061 1 6 . 1 1 32 32 HIS C C 32 174.379 174.379 175.873 -1.494 25428 2062 1 6 . 1 1 32 32 HIS CA C 32 56.668 56.668 57.587 -0.919 25428 2063 1 6 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.407 -2.954 25428 2064 1 6 . 1 1 33 33 SER N N 33 109.997 109.997 113.244 -3.247 25428 2065 1 6 . 1 1 33 33 SER HA H 33 4.125 4.125 4.374 -0.249 25428 2066 1 6 . 1 1 33 33 SER C C 33 172.444 172.444 175.005 -2.561 25428 2067 1 6 . 1 1 33 33 SER CA C 33 56.158 56.158 57.465 -1.307 25428 2068 1 6 . 1 1 33 33 SER CB C 33 60.045 60.045 62.560 -2.515 25428 2069 1 6 . 1 1 34 34 ASP N N 34 119.785 119.785 121.295 -1.510 25428 2070 1 6 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.487 0.033 25428 2071 1 6 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.760 -2.244 25428 2072 1 6 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.231 -1.741 25428 2073 1 6 . 1 1 35 35 LEU N N 35 118.248 118.248 119.188 -0.940 25428 2074 1 6 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.442 0.011 25428 2075 1 6 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.605 -4.241 25428 2076 1 6 . 1 1 35 35 LEU CB C 35 38.642 38.642 43.238 -4.596 25428 2077 1 6 . 1 1 36 36 ASP N N 36 122.922 122.922 119.077 3.845 25428 2078 1 6 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.852 -0.427 25428 2079 1 6 . 1 1 36 36 ASP C C 36 173.050 173.050 176.744 -3.694 25428 2080 1 6 . 1 1 36 36 ASP CA C 36 49.746 49.746 53.115 -3.369 25428 2081 1 6 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.889 -3.720 25428 2082 1 6 . 1 1 37 37 GLU N N 37 119.277 119.277 121.961 -2.684 25428 2083 1 6 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.079 -0.253 25428 2084 1 6 . 1 1 37 37 GLU C C 37 175.878 175.878 178.139 -2.261 25428 2085 1 6 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.564 -2.640 25428 2086 1 6 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.851 -3.440 25428 2087 1 6 . 1 1 38 38 ARG N N 38 117.965 117.965 117.570 0.395 25428 2088 1 6 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.069 -0.137 25428 2089 1 6 . 1 1 38 38 ARG C C 38 176.285 176.285 178.054 -1.769 25428 2090 1 6 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.448 -2.642 25428 2091 1 6 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.788 1.178 25428 2092 1 6 . 1 1 39 39 ALA N N 39 123.247 123.247 121.824 1.423 25428 2093 1 6 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.293 -0.415 25428 2094 1 6 . 1 1 39 39 ALA C C 39 175.872 175.872 179.254 -3.382 25428 2095 1 6 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.194 -1.952 25428 2096 1 6 . 1 1 39 39 ALA CB C 39 15.191 15.191 19.522 -4.331 25428 2097 1 6 . 1 1 40 40 ILE N N 40 116.462 116.462 119.889 -3.427 25428 2098 1 6 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.628 -0.184 25428 2099 1 6 . 1 1 40 40 ILE C C 40 175.056 175.056 178.205 -3.149 25428 2100 1 6 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.227 -2.380 25428 2101 1 6 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.422 -2.801 25428 2102 1 6 . 1 1 41 41 GLU N N 41 117.817 117.817 119.941 -2.124 25428 2103 1 6 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.845 -0.060 25428 2104 1 6 . 1 1 41 41 GLU C C 41 176.503 176.503 178.158 -1.655 25428 2105 1 6 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.502 -3.091 25428 2106 1 6 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.417 -3.057 25428 2107 1 6 . 1 1 42 42 ALA N N 42 120.852 120.852 121.017 -0.165 25428 2108 1 6 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.147 -0.079 25428 2109 1 6 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.609 -2.632 25428 2110 1 6 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.277 -2.948 25428 2111 1 6 . 1 1 43 43 LEU N N 43 120.443 120.443 118.183 2.260 25428 2112 1 6 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.182 -0.043 25428 2113 1 6 . 1 1 43 43 LEU C C 43 176.351 176.351 179.139 -2.788 25428 2114 1 6 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.346 -2.493 25428 2115 1 6 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.826 -2.240 25428 2116 1 6 . 1 1 44 44 LYS N N 44 116.644 116.644 116.265 0.379 25428 2117 1 6 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.084 -0.059 25428 2118 1 6 . 1 1 44 44 LYS C C 44 174.406 174.406 177.822 -3.416 25428 2119 1 6 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.212 -2.781 25428 2120 1 6 . 1 1 44 44 LYS CB C 44 29.673 29.673 31.732 -2.059 25428 2121 1 6 . 1 1 45 45 GLU N N 45 115.882 115.882 116.315 -0.433 25428 2122 1 6 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.158 -0.144 25428 2123 1 6 . 1 1 45 45 GLU C C 45 174.383 174.383 176.876 -2.493 25428 2124 1 6 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.885 -2.604 25428 2125 1 6 . 1 1 45 45 GLU CB C 45 26.997 26.997 30.099 -3.102 25428 2126 1 6 . 1 1 46 46 PHE N N 46 118.293 118.293 119.558 -1.265 25428 2127 1 6 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.442 -0.094 25428 2128 1 6 . 1 1 46 46 PHE C C 46 173.933 173.933 175.301 -1.368 25428 2129 1 6 . 1 1 46 46 PHE CA C 46 55.339 55.339 58.131 -2.792 25428 2130 1 6 . 1 1 46 46 PHE CB C 46 38.417 38.417 39.822 -1.405 25428 2131 1 6 . 1 1 47 47 ASN N N 47 117.552 117.552 119.996 -2.444 25428 2132 1 6 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.681 -0.074 25428 2133 1 6 . 1 1 47 47 ASN C C 47 172.500 172.500 176.199 -3.699 25428 2134 1 6 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.740 -3.080 25428 2135 1 6 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.379 -4.193 25428 2136 1 6 . 1 1 48 48 GLU N N 48 121.194 121.194 119.802 1.392 25428 2137 1 6 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.927 -0.249 25428 2138 1 6 . 1 1 48 48 GLU C C 48 174.313 174.313 178.128 -3.815 25428 2139 1 6 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.673 -2.287 25428 2140 1 6 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.515 -1.921 25428 2141 1 6 . 1 1 49 49 ASP N N 49 115.316 115.316 118.413 -3.097 25428 2142 1 6 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.481 -0.258 25428 2143 1 6 . 1 1 49 49 ASP C C 49 176.778 176.778 178.510 -1.732 25428 2144 1 6 . 1 1 49 49 ASP CA C 49 54.688 54.688 57.368 -2.680 25428 2145 1 6 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.042 -2.601 25428 2146 1 6 . 1 1 50 50 GLY N N 50 109.745 109.745 107.850 1.895 25428 2147 1 6 . 1 1 50 50 GLY C C 50 171.469 171.469 175.805 -4.336 25428 2148 1 6 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.828 -2.487 25428 2149 1 6 . 1 1 51 51 ALA N N 51 123.698 123.698 124.671 -0.973 25428 2150 1 6 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.702 -0.335 25428 2151 1 6 . 1 1 51 51 ALA C C 51 177.022 177.022 179.614 -2.592 25428 2152 1 6 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.824 -2.661 25428 2153 1 6 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.226 -1.416 25428 2154 1 6 . 1 1 52 52 LEU N N 52 115.728 115.728 119.045 -3.317 25428 2155 1 6 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.879 -0.091 25428 2156 1 6 . 1 1 52 52 LEU C C 52 176.760 176.760 179.064 -2.304 25428 2157 1 6 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.459 -2.198 25428 2158 1 6 . 1 1 52 52 LEU CB C 52 38.006 38.006 40.665 -2.659 25428 2159 1 6 . 1 1 53 53 ALA N N 53 123.490 123.490 121.910 1.580 25428 2160 1 6 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.900 0.120 25428 2161 1 6 . 1 1 53 53 ALA CA C 53 52.438 52.438 55.007 -2.569 25428 2162 1 6 . 1 1 53 53 ALA CB C 53 15.446 15.446 18.280 -2.834 25428 2163 1 6 . 1 1 54 54 VAL N N 54 119.648 119.648 117.911 1.737 25428 2164 1 6 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.106 -0.028 25428 2165 1 6 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.671 -3.722 25428 2166 1 6 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.797 -2.440 25428 2167 1 6 . 1 1 55 55 LEU N N 55 118.185 118.185 119.174 -0.989 25428 2168 1 6 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.911 -0.070 25428 2169 1 6 . 1 1 55 55 LEU C C 55 175.988 175.988 178.844 -2.856 25428 2170 1 6 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.895 -3.240 25428 2171 1 6 . 1 1 55 55 LEU CB C 55 38.850 38.850 40.902 -2.052 25428 2172 1 6 . 1 1 56 56 GLN N N 56 120.271 120.271 118.862 1.409 25428 2173 1 6 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.874 -0.119 25428 2174 1 6 . 1 1 56 56 GLN C C 56 174.357 174.357 178.314 -3.957 25428 2175 1 6 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.232 -3.513 25428 2176 1 6 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.030 -2.813 25428 2177 1 6 . 1 1 57 57 GLN N N 57 117.610 117.610 119.429 -1.819 25428 2178 1 6 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.140 -0.145 25428 2179 1 6 . 1 1 57 57 GLN C C 57 177.125 177.125 178.280 -1.155 25428 2180 1 6 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.464 -2.404 25428 2181 1 6 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.879 -3.731 25428 2182 1 6 . 1 1 58 58 PHE N N 58 120.365 120.365 121.944 -1.579 25428 2183 1 6 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.045 0.155 25428 2184 1 6 . 1 1 58 58 PHE C C 58 172.960 172.960 177.757 -4.797 25428 2185 1 6 . 1 1 58 58 PHE CA C 58 58.622 58.622 61.365 -2.743 25428 2186 1 6 . 1 1 58 58 PHE CB C 58 37.309 37.309 38.952 -1.643 25428 2187 1 6 . 1 1 59 59 LYS N N 59 117.757 117.757 117.623 0.134 25428 2188 1 6 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.745 -0.118 25428 2189 1 6 . 1 1 59 59 LYS C C 59 174.015 174.015 177.614 -3.599 25428 2190 1 6 . 1 1 59 59 LYS CA C 59 56.227 56.227 59.178 -2.951 25428 2191 1 6 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.365 -2.888 25428 2192 1 6 . 1 1 60 60 ASP N N 60 116.580 116.580 117.000 -0.420 25428 2193 1 6 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.635 -0.005 25428 2194 1 6 . 1 1 60 60 ASP C C 60 174.154 174.154 175.811 -1.657 25428 2195 1 6 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.810 -3.056 25428 2196 1 6 . 1 1 60 60 ASP CB C 60 38.013 38.013 41.261 -3.248 25428 2197 1 6 . 1 1 61 61 SER N N 61 117.142 117.142 114.269 2.873 25428 2198 1 6 . 1 1 61 61 SER HA H 61 4.383 4.383 4.665 -0.282 25428 2199 1 6 . 1 1 61 61 SER C C 61 169.538 169.538 172.896 -3.358 25428 2200 1 6 . 1 1 61 61 SER CA C 61 56.682 56.682 57.502 -0.820 25428 2201 1 6 . 1 1 61 61 SER CB C 61 61.698 61.698 65.387 -3.689 25428 2202 1 6 . 1 1 62 62 ASP N N 62 120.580 120.580 120.689 -0.109 25428 2203 1 6 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.710 -0.160 25428 2204 1 6 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.640 -3.374 25428 2205 1 6 . 1 1 62 62 ASP CB C 62 36.179 36.179 41.223 -5.044 25428 2206 1 6 . 1 1 63 63 LEU N N 63 126.269 126.269 126.161 0.108 25428 2207 1 6 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.347 -0.536 25428 2208 1 6 . 1 1 63 63 LEU CA C 63 51.921 51.921 54.990 -3.069 25428 2209 1 6 . 1 1 63 63 LEU CB C 63 39.003 39.003 42.164 -3.162 25428 2210 1 6 . 1 1 64 64 SER N N 64 116.388 116.388 115.247 1.141 25428 2211 1 6 . 1 1 64 64 SER HA H 64 3.862 3.862 4.096 -0.234 25428 2212 1 6 . 1 1 64 64 SER C C 64 172.812 172.812 174.873 -2.061 25428 2213 1 6 . 1 1 64 64 SER CA C 64 58.914 58.914 60.603 -1.689 25428 2214 1 6 . 1 1 64 64 SER CB C 64 59.851 59.851 62.928 -3.077 25428 2215 1 6 . 1 1 65 65 HIS N N 65 117.601 117.601 116.034 1.567 25428 2216 1 6 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.660 0.053 25428 2217 1 6 . 1 1 65 65 HIS C C 65 171.008 171.008 174.366 -3.358 25428 2218 1 6 . 1 1 65 65 HIS CA C 65 52.236 52.236 54.940 -2.704 25428 2219 1 6 . 1 1 65 65 HIS CB C 65 25.765 25.765 30.551 -4.786 25428 2220 1 6 . 1 1 66 66 VAL N N 66 121.466 121.466 122.399 -0.933 25428 2221 1 6 . 1 1 66 66 VAL HA H 66 3.857 3.857 3.846 0.011 25428 2222 1 6 . 1 1 66 66 VAL C C 66 172.336 172.336 176.828 -4.492 25428 2223 1 6 . 1 1 66 66 VAL CA C 66 59.147 59.147 62.477 -3.330 25428 2224 1 6 . 1 1 66 66 VAL CB C 66 29.577 29.577 31.475 -1.898 25428 2225 1 6 . 1 1 67 67 GLN N N 67 127.282 127.282 126.915 0.367 25428 2226 1 6 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.123 0.026 25428 2227 1 6 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.083 -2.983 25428 2228 1 6 . 1 1 67 67 GLN CB C 67 26.315 26.315 29.148 -2.833 25428 2229 1 6 . 1 1 68 68 ASN N N 68 117.044 117.044 117.460 -0.416 25428 2230 1 6 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.949 -0.014 25428 2231 1 6 . 1 1 68 68 ASN CA C 68 48.730 48.730 52.453 -3.723 25428 2232 1 6 . 1 1 68 68 ASN CB C 68 35.131 35.131 40.294 -5.163 25428 2233 1 6 . 1 1 69 69 LYS N N 69 125.145 125.145 124.251 0.894 25428 2234 1 6 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.212 -0.279 25428 2235 1 6 . 1 1 69 69 LYS CA C 69 57.605 57.605 58.975 -1.370 25428 2236 1 6 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.292 -1.998 25428 2237 1 6 . 1 1 70 70 SER N N 70 116.020 116.020 114.626 1.394 25428 2238 1 6 . 1 1 70 70 SER HA H 70 4.220 4.220 4.232 -0.012 25428 2239 1 6 . 1 1 70 70 SER CA C 70 59.898 59.898 61.407 -1.509 25428 2240 1 6 . 1 1 70 70 SER CB C 70 59.848 59.848 62.483 -2.635 25428 2241 1 6 . 1 1 71 71 ALA N N 71 123.444 123.444 125.193 -1.749 25428 2242 1 6 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.128 -0.154 25428 2243 1 6 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.681 -2.811 25428 2244 1 6 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.299 -3.232 25428 2245 1 6 . 1 1 72 72 PHE N N 72 120.178 120.178 119.030 1.148 25428 2246 1 6 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.299 -0.157 25428 2247 1 6 . 1 1 72 72 PHE C C 72 175.653 175.653 176.887 -1.234 25428 2248 1 6 . 1 1 72 72 PHE CA C 72 58.917 58.917 60.859 -1.942 25428 2249 1 6 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.328 -1.974 25428 2250 1 6 . 1 1 73 73 LEU N N 73 121.921 121.921 121.467 0.454 25428 2251 1 6 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.686 0.067 25428 2252 1 6 . 1 1 73 73 LEU C C 73 175.921 175.921 178.260 -2.339 25428 2253 1 6 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.197 -2.513 25428 2254 1 6 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.248 -3.824 25428 2255 1 6 . 1 1 74 74 CYS N N 74 116.964 116.964 115.558 1.406 25428 2256 1 6 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.090 0.022 25428 2257 1 6 . 1 1 74 74 CYS C C 74 174.901 174.901 177.294 -2.393 25428 2258 1 6 . 1 1 74 74 CYS CA C 74 61.104 61.104 63.773 -2.670 25428 2259 1 6 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.449 -2.817 25428 2260 1 6 . 1 1 75 75 GLY N N 75 110.524 110.524 108.676 1.848 25428 2261 1 6 . 1 1 75 75 GLY C C 75 173.633 173.633 175.861 -2.228 25428 2262 1 6 . 1 1 75 75 GLY CA C 75 44.385 44.385 46.815 -2.429 25428 2263 1 6 . 1 1 76 76 VAL N N 76 124.398 124.398 123.627 0.771 25428 2264 1 6 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.636 -0.125 25428 2265 1 6 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.040 -2.649 25428 2266 1 6 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.642 -3.143 25428 2267 1 6 . 1 1 77 77 MET N N 77 118.057 118.057 117.969 0.088 25428 2268 1 6 . 1 1 77 77 MET HA H 77 3.755 3.755 3.933 -0.178 25428 2269 1 6 . 1 1 77 77 MET CA C 77 57.770 57.770 59.944 -2.174 25428 2270 1 6 . 1 1 77 77 MET CB C 77 31.029 31.029 32.259 -1.230 25428 2271 1 6 . 1 1 78 78 LYS N N 78 118.765 118.765 119.248 -0.483 25428 2272 1 6 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.143 -0.176 25428 2273 1 6 . 1 1 78 78 LYS CA C 78 57.157 57.157 59.291 -2.134 25428 2274 1 6 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.208 -2.616 25428 2275 1 6 . 1 1 79 79 THR N N 79 114.076 114.076 114.779 -0.703 25428 2276 1 6 . 1 1 79 79 THR HA H 79 3.893 3.893 4.118 -0.225 25428 2277 1 6 . 1 1 79 79 THR CA C 79 62.715 62.715 65.791 -3.076 25428 2278 1 6 . 1 1 79 79 THR CB C 79 65.978 65.978 68.438 -2.460 25428 2279 1 6 . 1 1 80 80 TYR N N 80 123.194 123.194 122.438 0.756 25428 2280 1 6 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.224 -0.206 25428 2281 1 6 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.791 -2.959 25428 2282 1 6 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.131 -1.972 25428 2283 1 6 . 1 1 81 81 ARG N N 81 118.541 118.541 116.540 2.001 25428 2284 1 6 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.279 -0.223 25428 2285 1 6 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.731 -2.542 25428 2286 1 6 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.699 -3.029 25428 2287 1 6 . 1 1 82 82 GLN N N 82 117.664 117.664 119.369 -1.705 25428 2288 1 6 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.567 -0.456 25428 2289 1 6 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.359 -1.479 25428 2290 1 6 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.001 -3.013 25428 2291 1 6 . 1 1 83 83 ARG N N 83 119.552 119.552 119.791 -0.239 25428 2292 1 6 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.517 -0.402 25428 2293 1 6 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.637 -1.748 25428 2294 1 6 . 1 1 83 83 ARG CB C 83 27.811 27.811 31.160 -3.349 25428 2295 1 6 . 1 1 84 84 GLU N N 84 121.362 121.362 121.977 -0.615 25428 2296 1 6 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.230 -0.097 25428 2297 1 6 . 1 1 84 84 GLU CA C 84 53.838 53.838 57.526 -3.688 25428 2298 1 6 . 1 1 84 84 GLU CB C 84 27.445 27.445 29.204 -1.760 25428 2299 1 7 . 1 1 2 2 SER N N 2 119.046 119.046 114.690 4.356 25428 2300 1 7 . 1 1 2 2 SER HA H 2 4.509 4.509 4.894 -0.385 25428 2301 1 7 . 1 1 2 2 SER C C 2 172.827 172.827 175.588 -2.761 25428 2302 1 7 . 1 1 2 2 SER CA C 2 55.872 55.872 56.460 -0.588 25428 2303 1 7 . 1 1 2 2 SER CB C 2 61.645 61.645 65.347 -3.702 25428 2304 1 7 . 1 1 3 3 GLU N N 3 121.401 121.401 122.434 -1.033 25428 2305 1 7 . 1 1 3 3 GLU HA H 3 4.172 4.172 3.955 0.217 25428 2306 1 7 . 1 1 3 3 GLU C C 3 174.375 174.375 177.925 -3.550 25428 2307 1 7 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.642 -3.997 25428 2308 1 7 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.347 -3.084 25428 2309 1 7 . 1 1 4 4 ASN N N 4 117.467 117.467 117.471 -0.004 25428 2310 1 7 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.323 0.216 25428 2311 1 7 . 1 1 4 4 ASN C C 4 172.792 172.792 176.672 -3.880 25428 2312 1 7 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.063 -3.495 25428 2313 1 7 . 1 1 4 4 ASN CB C 4 36.628 36.628 37.837 -1.209 25428 2314 1 7 . 1 1 5 5 PHE N N 5 121.588 121.588 121.669 -0.081 25428 2315 1 7 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.090 -0.111 25428 2316 1 7 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.685 -3.006 25428 2317 1 7 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.936 -2.710 25428 2318 1 7 . 1 1 6 6 GLN N N 6 117.868 117.868 117.067 0.801 25428 2319 1 7 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.730 -0.252 25428 2320 1 7 . 1 1 6 6 GLN C C 6 174.670 174.670 178.020 -3.350 25428 2321 1 7 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.575 -3.273 25428 2322 1 7 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.773 -2.516 25428 2323 1 7 . 1 1 7 7 THR N N 7 114.124 114.124 116.442 -2.318 25428 2324 1 7 . 1 1 7 7 THR HA H 7 3.862 3.862 3.960 -0.098 25428 2325 1 7 . 1 1 7 7 THR C C 7 173.949 173.949 176.240 -2.291 25428 2326 1 7 . 1 1 7 7 THR CA C 7 62.909 62.909 65.649 -2.740 25428 2327 1 7 . 1 1 7 7 THR CB C 7 65.814 65.814 68.501 -2.687 25428 2328 1 7 . 1 1 8 8 LEU N N 8 121.809 121.809 122.198 -0.389 25428 2329 1 7 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.076 -0.183 25428 2330 1 7 . 1 1 8 8 LEU C C 8 175.915 175.915 178.348 -2.433 25428 2331 1 7 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.417 -2.805 25428 2332 1 7 . 1 1 8 8 LEU CB C 8 39.027 39.027 40.510 -1.483 25428 2333 1 7 . 1 1 9 9 LEU N N 9 119.407 119.407 115.682 3.725 25428 2334 1 7 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.370 -0.371 25428 2335 1 7 . 1 1 9 9 LEU C C 9 179.642 179.642 178.267 1.375 25428 2336 1 7 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.305 -1.912 25428 2337 1 7 . 1 1 9 9 LEU CB C 9 38.343 38.343 40.393 -2.050 25428 2338 1 7 . 1 1 10 10 ASP N N 10 122.019 122.019 118.931 3.088 25428 2339 1 7 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.538 -0.309 25428 2340 1 7 . 1 1 10 10 ASP C C 10 174.743 174.743 177.609 -2.866 25428 2341 1 7 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.540 -1.711 25428 2342 1 7 . 1 1 10 10 ASP CB C 10 36.965 36.965 42.323 -5.358 25428 2343 1 7 . 1 1 11 11 ALA N N 11 121.088 121.088 121.029 0.059 25428 2344 1 7 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.211 -0.003 25428 2345 1 7 . 1 1 11 11 ALA C C 11 174.553 174.553 177.639 -3.086 25428 2346 1 7 . 1 1 11 11 ALA CA C 11 49.682 49.682 53.391 -3.709 25428 2347 1 7 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.524 -3.133 25428 2348 1 7 . 1 1 12 12 GLY N N 12 104.096 104.096 104.658 -0.562 25428 2349 1 7 . 1 1 12 12 GLY C C 12 172.183 172.183 174.344 -2.161 25428 2350 1 7 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.648 -2.498 25428 2351 1 7 . 1 1 13 13 LEU N N 13 120.523 120.523 121.847 -1.324 25428 2352 1 7 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.857 -0.492 25428 2353 1 7 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.789 -1.636 25428 2354 1 7 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.534 -4.048 25428 2355 1 7 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.620 -0.269 25428 2356 1 7 . 1 1 14 14 PRO C C 14 174.611 174.611 177.095 -2.484 25428 2357 1 7 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.122 -2.394 25428 2358 1 7 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.906 -3.103 25428 2359 1 7 . 1 1 15 15 GLN N N 15 124.429 124.429 120.115 4.314 25428 2360 1 7 . 1 1 15 15 GLN HA H 15 3.689 3.689 4.049 -0.360 25428 2361 1 7 . 1 1 15 15 GLN C C 15 174.848 174.848 177.885 -3.037 25428 2362 1 7 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.068 -2.218 25428 2363 1 7 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.605 -3.272 25428 2364 1 7 . 1 1 16 16 LYS N N 16 115.638 115.638 119.392 -3.754 25428 2365 1 7 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.134 -0.112 25428 2366 1 7 . 1 1 16 16 LYS C C 16 176.800 176.800 178.691 -1.891 25428 2367 1 7 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.418 -2.794 25428 2368 1 7 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.698 -1.861 25428 2369 1 7 . 1 1 17 17 VAL N N 17 118.513 118.513 118.937 -0.424 25428 2370 1 7 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.606 -0.216 25428 2371 1 7 . 1 1 17 17 VAL C C 17 173.946 173.946 177.750 -3.804 25428 2372 1 7 . 1 1 17 17 VAL CA C 17 62.811 62.811 66.072 -3.261 25428 2373 1 7 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.505 -2.417 25428 2374 1 7 . 1 1 18 18 ALA N N 18 121.811 121.811 122.285 -0.474 25428 2375 1 7 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.976 -0.243 25428 2376 1 7 . 1 1 18 18 ALA C C 18 176.571 176.571 179.734 -3.163 25428 2377 1 7 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.424 -2.905 25428 2378 1 7 . 1 1 18 18 ALA CB C 18 15.616 15.616 18.150 -2.534 25428 2379 1 7 . 1 1 19 19 GLU N N 19 116.183 116.183 116.057 0.126 25428 2380 1 7 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.206 -0.293 25428 2381 1 7 . 1 1 19 19 GLU C C 19 176.184 176.184 178.759 -2.575 25428 2382 1 7 . 1 1 19 19 GLU CA C 19 56.832 56.832 58.901 -2.070 25428 2383 1 7 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.702 -2.588 25428 2384 1 7 . 1 1 20 20 LYS N N 20 120.202 120.202 118.166 2.036 25428 2385 1 7 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.398 -0.335 25428 2386 1 7 . 1 1 20 20 LYS C C 20 175.707 175.707 178.406 -2.699 25428 2387 1 7 . 1 1 20 20 LYS CA C 20 54.340 54.340 57.160 -2.820 25428 2388 1 7 . 1 1 20 20 LYS CB C 20 27.152 27.152 33.086 -5.934 25428 2389 1 7 . 1 1 21 21 LEU N N 21 120.188 120.188 121.359 -1.171 25428 2390 1 7 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.103 -0.199 25428 2391 1 7 . 1 1 21 21 LEU C C 21 175.138 175.138 178.823 -3.685 25428 2392 1 7 . 1 1 21 21 LEU CA C 21 54.762 54.762 57.683 -2.921 25428 2393 1 7 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.220 -3.831 25428 2394 1 7 . 1 1 22 22 ASP N N 22 118.729 118.729 120.634 -1.905 25428 2395 1 7 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.852 -0.427 25428 2396 1 7 . 1 1 22 22 ASP C C 22 175.147 175.147 178.492 -3.345 25428 2397 1 7 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.344 -2.068 25428 2398 1 7 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.680 -1.377 25428 2399 1 7 . 1 1 23 23 GLU N N 23 117.201 117.201 119.553 -2.352 25428 2400 1 7 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.032 -0.143 25428 2401 1 7 . 1 1 23 23 GLU C C 23 177.140 177.140 178.752 -1.612 25428 2402 1 7 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.333 -2.584 25428 2403 1 7 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.343 -2.303 25428 2404 1 7 . 1 1 24 24 ILE N N 24 121.465 121.465 117.984 3.481 25428 2405 1 7 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.535 0.072 25428 2406 1 7 . 1 1 24 24 ILE C C 24 174.918 174.918 177.065 -2.147 25428 2407 1 7 . 1 1 24 24 ILE CA C 24 63.184 63.184 64.274 -1.090 25428 2408 1 7 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.727 -2.760 25428 2409 1 7 . 1 1 25 25 TYR N N 25 120.955 120.955 113.646 7.309 25428 2410 1 7 . 1 1 25 25 TYR HA H 25 4.812 4.812 5.090 -0.278 25428 2411 1 7 . 1 1 25 25 TYR C C 25 179.018 179.018 176.359 2.659 25428 2412 1 7 . 1 1 25 25 TYR CA C 25 56.172 56.172 57.429 -1.257 25428 2413 1 7 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.046 -3.627 25428 2414 1 7 . 1 1 26 26 VAL N N 26 123.429 123.429 118.048 5.381 25428 2415 1 7 . 1 1 26 26 VAL HA H 26 3.591 3.591 4.030 -0.439 25428 2416 1 7 . 1 1 26 26 VAL C C 26 175.383 175.383 176.762 -1.379 25428 2417 1 7 . 1 1 26 26 VAL CA C 26 63.501 63.501 62.944 0.557 25428 2418 1 7 . 1 1 26 26 VAL CB C 26 28.993 28.993 33.001 -4.008 25428 2419 1 7 . 1 1 27 27 ALA N N 27 120.082 120.082 121.567 -1.485 25428 2420 1 7 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.283 -0.078 25428 2421 1 7 . 1 1 27 27 ALA C C 27 175.640 175.640 178.076 -2.436 25428 2422 1 7 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.336 -2.066 25428 2423 1 7 . 1 1 27 27 ALA CB C 27 15.992 15.992 18.594 -2.602 25428 2424 1 7 . 1 1 28 28 GLY N N 28 105.543 105.543 106.386 -0.843 25428 2425 1 7 . 1 1 28 28 GLY C C 28 172.315 172.315 175.201 -2.886 25428 2426 1 7 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.926 -3.388 25428 2427 1 7 . 1 1 29 29 LEU N N 29 119.155 119.155 119.411 -0.256 25428 2428 1 7 . 1 1 29 29 LEU HA H 29 4.005 4.005 3.997 0.008 25428 2429 1 7 . 1 1 29 29 LEU C C 29 173.807 173.807 176.188 -2.381 25428 2430 1 7 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.717 -2.636 25428 2431 1 7 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.447 -2.661 25428 2432 1 7 . 1 1 30 30 VAL N N 30 109.334 109.334 108.516 0.818 25428 2433 1 7 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.602 -0.386 25428 2434 1 7 . 1 1 30 30 VAL C C 30 170.244 170.244 174.437 -4.193 25428 2435 1 7 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.305 -2.861 25428 2436 1 7 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.575 -2.210 25428 2437 1 7 . 1 1 31 31 ALA N N 31 126.238 126.238 122.338 3.900 25428 2438 1 7 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.981 -0.422 25428 2439 1 7 . 1 1 31 31 ALA C C 31 176.016 176.016 178.656 -2.640 25428 2440 1 7 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.654 -3.184 25428 2441 1 7 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.759 -2.720 25428 2442 1 7 . 1 1 32 32 HIS N N 32 120.680 120.680 119.504 1.176 25428 2443 1 7 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.698 0.292 25428 2444 1 7 . 1 1 32 32 HIS C C 32 174.379 174.379 175.535 -1.156 25428 2445 1 7 . 1 1 32 32 HIS CA C 32 56.668 56.668 57.809 -1.141 25428 2446 1 7 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.080 -2.628 25428 2447 1 7 . 1 1 33 33 SER N N 33 109.997 109.997 113.726 -3.729 25428 2448 1 7 . 1 1 33 33 SER HA H 33 4.125 4.125 4.334 -0.209 25428 2449 1 7 . 1 1 33 33 SER C C 33 172.444 172.444 174.368 -1.924 25428 2450 1 7 . 1 1 33 33 SER CA C 33 56.158 56.158 57.388 -1.230 25428 2451 1 7 . 1 1 33 33 SER CB C 33 60.045 60.045 63.154 -3.109 25428 2452 1 7 . 1 1 34 34 ASP N N 34 119.785 119.785 120.998 -1.213 25428 2453 1 7 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.598 -0.078 25428 2454 1 7 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.750 -2.234 25428 2455 1 7 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.701 -2.211 25428 2456 1 7 . 1 1 35 35 LEU N N 35 118.248 118.248 118.982 -0.734 25428 2457 1 7 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.295 0.158 25428 2458 1 7 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.731 -4.367 25428 2459 1 7 . 1 1 35 35 LEU CB C 35 38.642 38.642 42.850 -4.208 25428 2460 1 7 . 1 1 36 36 ASP N N 36 122.922 122.922 119.668 3.254 25428 2461 1 7 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.727 -0.302 25428 2462 1 7 . 1 1 36 36 ASP C C 36 173.050 173.050 176.987 -3.937 25428 2463 1 7 . 1 1 36 36 ASP CA C 36 49.746 49.746 52.126 -2.380 25428 2464 1 7 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.194 -3.025 25428 2465 1 7 . 1 1 37 37 GLU N N 37 119.277 119.277 119.577 -0.300 25428 2466 1 7 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.076 -0.250 25428 2467 1 7 . 1 1 37 37 GLU C C 37 175.878 175.878 178.355 -2.477 25428 2468 1 7 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.706 -2.782 25428 2469 1 7 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.719 -3.308 25428 2470 1 7 . 1 1 38 38 ARG N N 38 117.965 117.965 118.264 -0.299 25428 2471 1 7 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.144 -0.212 25428 2472 1 7 . 1 1 38 38 ARG C C 38 176.285 176.285 178.391 -2.106 25428 2473 1 7 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.714 -2.908 25428 2474 1 7 . 1 1 38 38 ARG CB C 38 30.966 30.966 30.279 0.687 25428 2475 1 7 . 1 1 39 39 ALA N N 39 123.247 123.247 122.868 0.379 25428 2476 1 7 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.286 -0.408 25428 2477 1 7 . 1 1 39 39 ALA C C 39 175.872 175.872 178.885 -3.013 25428 2478 1 7 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.727 -2.485 25428 2479 1 7 . 1 1 39 39 ALA CB C 39 15.191 15.191 19.038 -3.847 25428 2480 1 7 . 1 1 40 40 ILE N N 40 116.462 116.462 119.532 -3.070 25428 2481 1 7 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.735 -0.291 25428 2482 1 7 . 1 1 40 40 ILE C C 40 175.056 175.056 177.848 -2.792 25428 2483 1 7 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.233 -2.385 25428 2484 1 7 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.202 -2.581 25428 2485 1 7 . 1 1 41 41 GLU N N 41 117.817 117.817 120.647 -2.830 25428 2486 1 7 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.950 -0.165 25428 2487 1 7 . 1 1 41 41 GLU C C 41 176.503 176.503 178.438 -1.935 25428 2488 1 7 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.578 -3.167 25428 2489 1 7 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.672 -3.312 25428 2490 1 7 . 1 1 42 42 ALA N N 42 120.852 120.852 121.387 -0.535 25428 2491 1 7 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.080 -0.012 25428 2492 1 7 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.712 -2.735 25428 2493 1 7 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.492 -3.163 25428 2494 1 7 . 1 1 43 43 LEU N N 43 120.443 120.443 120.468 -0.025 25428 2495 1 7 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.189 -0.050 25428 2496 1 7 . 1 1 43 43 LEU C C 43 176.351 176.351 179.635 -3.284 25428 2497 1 7 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.792 -2.939 25428 2498 1 7 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.919 -2.333 25428 2499 1 7 . 1 1 44 44 LYS N N 44 116.644 116.644 116.176 0.468 25428 2500 1 7 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.079 -0.054 25428 2501 1 7 . 1 1 44 44 LYS C C 44 174.406 174.406 177.931 -3.525 25428 2502 1 7 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.458 -3.027 25428 2503 1 7 . 1 1 44 44 LYS CB C 44 29.673 29.673 31.999 -2.326 25428 2504 1 7 . 1 1 45 45 GLU N N 45 115.882 115.882 116.535 -0.653 25428 2505 1 7 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.239 -0.225 25428 2506 1 7 . 1 1 45 45 GLU C C 45 174.383 174.383 177.232 -2.849 25428 2507 1 7 . 1 1 45 45 GLU CA C 45 54.281 54.281 57.174 -2.893 25428 2508 1 7 . 1 1 45 45 GLU CB C 45 26.997 26.997 30.278 -3.281 25428 2509 1 7 . 1 1 46 46 PHE N N 46 118.293 118.293 119.415 -1.122 25428 2510 1 7 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.515 -0.167 25428 2511 1 7 . 1 1 46 46 PHE C C 46 173.933 173.933 175.558 -1.625 25428 2512 1 7 . 1 1 46 46 PHE CA C 46 55.339 55.339 57.994 -2.655 25428 2513 1 7 . 1 1 46 46 PHE CB C 46 38.417 38.417 39.730 -1.313 25428 2514 1 7 . 1 1 47 47 ASN N N 47 117.552 117.552 121.432 -3.880 25428 2515 1 7 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.710 -0.103 25428 2516 1 7 . 1 1 47 47 ASN C C 47 172.500 172.500 176.186 -3.686 25428 2517 1 7 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.828 -3.168 25428 2518 1 7 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.424 -4.238 25428 2519 1 7 . 1 1 48 48 GLU N N 48 121.194 121.194 118.987 2.207 25428 2520 1 7 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.892 -0.214 25428 2521 1 7 . 1 1 48 48 GLU C C 48 174.313 174.313 178.093 -3.780 25428 2522 1 7 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.124 -1.738 25428 2523 1 7 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.647 -2.053 25428 2524 1 7 . 1 1 49 49 ASP N N 49 115.316 115.316 118.302 -2.986 25428 2525 1 7 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.474 -0.251 25428 2526 1 7 . 1 1 49 49 ASP C C 49 176.778 176.778 178.446 -1.668 25428 2527 1 7 . 1 1 49 49 ASP CA C 49 54.688 54.688 56.758 -2.070 25428 2528 1 7 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.873 -3.432 25428 2529 1 7 . 1 1 50 50 GLY N N 50 109.745 109.745 107.883 1.862 25428 2530 1 7 . 1 1 50 50 GLY C C 50 171.469 171.469 175.368 -3.899 25428 2531 1 7 . 1 1 50 50 GLY CA C 50 44.341 44.341 47.161 -2.820 25428 2532 1 7 . 1 1 51 51 ALA N N 51 123.698 123.698 124.552 -0.854 25428 2533 1 7 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.548 -0.181 25428 2534 1 7 . 1 1 51 51 ALA C C 51 177.022 177.022 179.089 -2.067 25428 2535 1 7 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.443 -2.280 25428 2536 1 7 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.701 -1.891 25428 2537 1 7 . 1 1 52 52 LEU N N 52 115.728 115.728 119.676 -3.948 25428 2538 1 7 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.901 -0.113 25428 2539 1 7 . 1 1 52 52 LEU C C 52 176.760 176.760 178.931 -2.171 25428 2540 1 7 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.166 -1.905 25428 2541 1 7 . 1 1 52 52 LEU CB C 52 38.006 38.006 40.614 -2.608 25428 2542 1 7 . 1 1 53 53 ALA N N 53 123.490 123.490 121.344 2.146 25428 2543 1 7 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.853 0.167 25428 2544 1 7 . 1 1 53 53 ALA CA C 53 52.438 52.438 55.001 -2.562 25428 2545 1 7 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.573 -2.127 25428 2546 1 7 . 1 1 54 54 VAL N N 54 119.648 119.648 117.629 2.019 25428 2547 1 7 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.532 -0.454 25428 2548 1 7 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.069 -3.120 25428 2549 1 7 . 1 1 54 54 VAL CB C 54 28.357 28.357 31.278 -2.921 25428 2550 1 7 . 1 1 55 55 LEU N N 55 118.185 118.185 119.116 -0.931 25428 2551 1 7 . 1 1 55 55 LEU HA H 55 3.841 3.841 4.054 -0.213 25428 2552 1 7 . 1 1 55 55 LEU C C 55 175.988 175.988 178.757 -2.769 25428 2553 1 7 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.682 -3.027 25428 2554 1 7 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.313 -2.463 25428 2555 1 7 . 1 1 56 56 GLN N N 56 120.271 120.271 119.380 0.891 25428 2556 1 7 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.814 -0.059 25428 2557 1 7 . 1 1 56 56 GLN C C 56 174.357 174.357 178.288 -3.931 25428 2558 1 7 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.646 -3.927 25428 2559 1 7 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.462 -3.245 25428 2560 1 7 . 1 1 57 57 GLN N N 57 117.610 117.610 118.486 -0.876 25428 2561 1 7 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.148 -0.153 25428 2562 1 7 . 1 1 57 57 GLN C C 57 177.125 177.125 178.378 -1.253 25428 2563 1 7 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.824 -2.764 25428 2564 1 7 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.842 -3.694 25428 2565 1 7 . 1 1 58 58 PHE N N 58 120.365 120.365 121.445 -1.080 25428 2566 1 7 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.410 -0.210 25428 2567 1 7 . 1 1 58 58 PHE C C 58 172.960 172.960 177.454 -4.494 25428 2568 1 7 . 1 1 58 58 PHE CA C 58 58.622 58.622 60.447 -1.825 25428 2569 1 7 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.111 -1.802 25428 2570 1 7 . 1 1 59 59 LYS N N 59 117.757 117.757 118.104 -0.347 25428 2571 1 7 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.721 -0.094 25428 2572 1 7 . 1 1 59 59 LYS C C 59 174.015 174.015 178.897 -4.882 25428 2573 1 7 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.587 -2.360 25428 2574 1 7 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.434 -2.956 25428 2575 1 7 . 1 1 60 60 ASP N N 60 116.580 116.580 119.715 -3.135 25428 2576 1 7 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.666 -0.036 25428 2577 1 7 . 1 1 60 60 ASP C C 60 174.154 174.154 175.310 -1.156 25428 2578 1 7 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.148 -2.394 25428 2579 1 7 . 1 1 60 60 ASP CB C 60 38.013 38.013 39.923 -1.910 25428 2580 1 7 . 1 1 61 61 SER N N 61 117.142 117.142 113.629 3.513 25428 2581 1 7 . 1 1 61 61 SER HA H 61 4.383 4.383 4.643 -0.260 25428 2582 1 7 . 1 1 61 61 SER C C 61 169.538 169.538 172.525 -2.987 25428 2583 1 7 . 1 1 61 61 SER CA C 61 56.682 56.682 57.330 -0.648 25428 2584 1 7 . 1 1 61 61 SER CB C 61 61.698 61.698 66.387 -4.689 25428 2585 1 7 . 1 1 62 62 ASP N N 62 120.580 120.580 121.232 -0.652 25428 2586 1 7 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.776 -0.226 25428 2587 1 7 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.275 -3.009 25428 2588 1 7 . 1 1 62 62 ASP CB C 62 36.179 36.179 41.221 -5.042 25428 2589 1 7 . 1 1 63 63 LEU N N 63 126.269 126.269 125.383 0.886 25428 2590 1 7 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.426 -0.615 25428 2591 1 7 . 1 1 63 63 LEU CA C 63 51.921 51.921 53.683 -1.762 25428 2592 1 7 . 1 1 63 63 LEU CB C 63 39.003 39.003 42.066 -3.063 25428 2593 1 7 . 1 1 64 64 SER N N 64 116.388 116.388 117.213 -0.825 25428 2594 1 7 . 1 1 64 64 SER HA H 64 3.862 3.862 4.040 -0.178 25428 2595 1 7 . 1 1 64 64 SER C C 64 172.812 172.812 174.908 -2.096 25428 2596 1 7 . 1 1 64 64 SER CA C 64 58.914 58.914 60.597 -1.683 25428 2597 1 7 . 1 1 64 64 SER CB C 64 59.851 59.851 63.316 -3.465 25428 2598 1 7 . 1 1 65 65 HIS N N 65 117.601 117.601 117.691 -0.090 25428 2599 1 7 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.783 -0.070 25428 2600 1 7 . 1 1 65 65 HIS C C 65 171.008 171.008 174.388 -3.380 25428 2601 1 7 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.025 -2.789 25428 2602 1 7 . 1 1 65 65 HIS CB C 65 25.765 25.765 29.647 -3.882 25428 2603 1 7 . 1 1 66 66 VAL N N 66 121.466 121.466 121.741 -0.275 25428 2604 1 7 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.392 -0.535 25428 2605 1 7 . 1 1 66 66 VAL C C 66 172.336 172.336 175.863 -3.527 25428 2606 1 7 . 1 1 66 66 VAL CA C 66 59.147 59.147 61.285 -2.138 25428 2607 1 7 . 1 1 66 66 VAL CB C 66 29.577 29.577 32.962 -3.385 25428 2608 1 7 . 1 1 67 67 GLN N N 67 127.282 127.282 128.972 -1.690 25428 2609 1 7 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.009 0.140 25428 2610 1 7 . 1 1 67 67 GLN CA C 67 55.100 55.100 59.190 -4.090 25428 2611 1 7 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.854 -2.539 25428 2612 1 7 . 1 1 68 68 ASN N N 68 117.044 117.044 118.891 -1.847 25428 2613 1 7 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.717 0.218 25428 2614 1 7 . 1 1 68 68 ASN CA C 68 48.730 48.730 53.155 -4.425 25428 2615 1 7 . 1 1 68 68 ASN CB C 68 35.131 35.131 37.279 -2.148 25428 2616 1 7 . 1 1 69 69 LYS N N 69 125.145 125.145 123.956 1.189 25428 2617 1 7 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.097 -0.164 25428 2618 1 7 . 1 1 69 69 LYS CA C 69 57.605 57.605 58.990 -1.385 25428 2619 1 7 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.083 -1.788 25428 2620 1 7 . 1 1 70 70 SER N N 70 116.020 116.020 115.009 1.011 25428 2621 1 7 . 1 1 70 70 SER HA H 70 4.220 4.220 4.120 0.100 25428 2622 1 7 . 1 1 70 70 SER CA C 70 59.898 59.898 61.777 -1.879 25428 2623 1 7 . 1 1 70 70 SER CB C 70 59.848 59.848 62.399 -2.551 25428 2624 1 7 . 1 1 71 71 ALA N N 71 123.444 123.444 124.973 -1.529 25428 2625 1 7 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.236 -0.262 25428 2626 1 7 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.180 -2.310 25428 2627 1 7 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.332 -3.265 25428 2628 1 7 . 1 1 72 72 PHE N N 72 120.178 120.178 120.187 -0.009 25428 2629 1 7 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.240 -0.098 25428 2630 1 7 . 1 1 72 72 PHE C C 72 175.653 175.653 176.936 -1.283 25428 2631 1 7 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.316 -2.399 25428 2632 1 7 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.870 -2.516 25428 2633 1 7 . 1 1 73 73 LEU N N 73 121.921 121.921 122.212 -0.291 25428 2634 1 7 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.662 0.091 25428 2635 1 7 . 1 1 73 73 LEU C C 73 175.921 175.921 178.316 -2.395 25428 2636 1 7 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.156 -2.472 25428 2637 1 7 . 1 1 73 73 LEU CB C 73 37.424 37.424 40.890 -3.466 25428 2638 1 7 . 1 1 74 74 CYS N N 74 116.964 116.964 115.918 1.046 25428 2639 1 7 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.119 -0.007 25428 2640 1 7 . 1 1 74 74 CYS C C 74 174.901 174.901 176.971 -2.070 25428 2641 1 7 . 1 1 74 74 CYS CA C 74 61.104 61.104 61.936 -0.832 25428 2642 1 7 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.838 -3.206 25428 2643 1 7 . 1 1 75 75 GLY N N 75 110.524 110.524 109.264 1.260 25428 2644 1 7 . 1 1 75 75 GLY C C 75 173.633 173.633 175.572 -1.939 25428 2645 1 7 . 1 1 75 75 GLY CA C 75 44.385 44.385 46.739 -2.354 25428 2646 1 7 . 1 1 76 76 VAL N N 76 124.398 124.398 123.117 1.281 25428 2647 1 7 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.462 0.049 25428 2648 1 7 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.398 -3.007 25428 2649 1 7 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.672 -3.173 25428 2650 1 7 . 1 1 77 77 MET N N 77 118.057 118.057 116.701 1.356 25428 2651 1 7 . 1 1 77 77 MET HA H 77 3.755 3.755 4.269 -0.514 25428 2652 1 7 . 1 1 77 77 MET CA C 77 57.770 57.770 59.279 -1.509 25428 2653 1 7 . 1 1 77 77 MET CB C 77 31.029 31.029 32.083 -1.054 25428 2654 1 7 . 1 1 78 78 LYS N N 78 118.765 118.765 120.337 -1.572 25428 2655 1 7 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.007 -0.040 25428 2656 1 7 . 1 1 78 78 LYS CA C 78 57.157 57.157 60.152 -2.995 25428 2657 1 7 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.170 -2.578 25428 2658 1 7 . 1 1 79 79 THR N N 79 114.076 114.076 114.885 -0.809 25428 2659 1 7 . 1 1 79 79 THR HA H 79 3.893 3.893 4.016 -0.123 25428 2660 1 7 . 1 1 79 79 THR CA C 79 62.715 62.715 66.026 -3.312 25428 2661 1 7 . 1 1 79 79 THR CB C 79 65.978 65.978 68.448 -2.470 25428 2662 1 7 . 1 1 80 80 TYR N N 80 123.194 123.194 121.554 1.640 25428 2663 1 7 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.327 -0.309 25428 2664 1 7 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.460 -2.628 25428 2665 1 7 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.246 -2.087 25428 2666 1 7 . 1 1 81 81 ARG N N 81 118.541 118.541 117.477 1.064 25428 2667 1 7 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.362 -0.306 25428 2668 1 7 . 1 1 81 81 ARG CA C 81 55.189 55.189 56.310 -1.121 25428 2669 1 7 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.590 -2.920 25428 2670 1 7 . 1 1 82 82 GLN N N 82 117.664 117.664 118.984 -1.320 25428 2671 1 7 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.580 -0.469 25428 2672 1 7 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.482 -1.602 25428 2673 1 7 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.799 -3.811 25428 2674 1 7 . 1 1 83 83 ARG N N 83 119.552 119.552 121.127 -1.575 25428 2675 1 7 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.550 -0.435 25428 2676 1 7 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.935 -2.046 25428 2677 1 7 . 1 1 83 83 ARG CB C 83 27.811 27.811 29.811 -2.000 25428 2678 1 7 . 1 1 84 84 GLU N N 84 121.362 121.362 120.365 0.997 25428 2679 1 7 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.691 -0.558 25428 2680 1 7 . 1 1 84 84 GLU CA C 84 53.838 53.838 55.452 -1.613 25428 2681 1 7 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.959 -3.514 25428 2682 1 8 . 1 1 2 2 SER N N 2 119.046 119.046 114.931 4.115 25428 2683 1 8 . 1 1 2 2 SER HA H 2 4.509 4.509 4.649 -0.140 25428 2684 1 8 . 1 1 2 2 SER C C 2 172.827 172.827 176.561 -3.734 25428 2685 1 8 . 1 1 2 2 SER CA C 2 55.872 55.872 57.224 -1.352 25428 2686 1 8 . 1 1 2 2 SER CB C 2 61.645 61.645 64.594 -2.949 25428 2687 1 8 . 1 1 3 3 GLU N N 3 121.401 121.401 121.602 -0.201 25428 2688 1 8 . 1 1 3 3 GLU HA H 3 4.172 4.172 3.966 0.206 25428 2689 1 8 . 1 1 3 3 GLU C C 3 174.375 174.375 177.797 -3.422 25428 2690 1 8 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.361 -3.716 25428 2691 1 8 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.214 -2.951 25428 2692 1 8 . 1 1 4 4 ASN N N 4 117.467 117.467 118.083 -0.616 25428 2693 1 8 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.413 0.126 25428 2694 1 8 . 1 1 4 4 ASN C C 4 172.792 172.792 177.125 -4.333 25428 2695 1 8 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.361 -3.793 25428 2696 1 8 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.100 -1.472 25428 2697 1 8 . 1 1 5 5 PHE N N 5 121.588 121.588 121.817 -0.229 25428 2698 1 8 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.117 -0.138 25428 2699 1 8 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.776 -3.097 25428 2700 1 8 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.697 -2.471 25428 2701 1 8 . 1 1 6 6 GLN N N 6 117.868 117.868 117.145 0.723 25428 2702 1 8 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.841 -0.363 25428 2703 1 8 . 1 1 6 6 GLN C C 6 174.670 174.670 178.142 -3.472 25428 2704 1 8 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.549 -3.248 25428 2705 1 8 . 1 1 6 6 GLN CB C 6 25.257 25.257 28.038 -2.781 25428 2706 1 8 . 1 1 7 7 THR N N 7 114.124 114.124 117.445 -3.321 25428 2707 1 8 . 1 1 7 7 THR HA H 7 3.862 3.862 3.933 -0.071 25428 2708 1 8 . 1 1 7 7 THR C C 7 173.949 173.949 176.742 -2.793 25428 2709 1 8 . 1 1 7 7 THR CA C 7 62.909 62.909 66.606 -3.697 25428 2710 1 8 . 1 1 7 7 THR CB C 7 65.814 65.814 68.412 -2.598 25428 2711 1 8 . 1 1 8 8 LEU N N 8 121.809 121.809 121.700 0.109 25428 2712 1 8 . 1 1 8 8 LEU HA H 8 3.893 3.893 3.927 -0.034 25428 2713 1 8 . 1 1 8 8 LEU C C 8 175.915 175.915 179.093 -3.178 25428 2714 1 8 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.982 -3.370 25428 2715 1 8 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.753 -2.726 25428 2716 1 8 . 1 1 9 9 LEU N N 9 119.407 119.407 118.002 1.405 25428 2717 1 8 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.092 -0.093 25428 2718 1 8 . 1 1 9 9 LEU C C 9 179.642 179.642 178.953 0.689 25428 2719 1 8 . 1 1 9 9 LEU CA C 9 54.393 54.393 57.057 -2.664 25428 2720 1 8 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.370 -3.027 25428 2721 1 8 . 1 1 10 10 ASP N N 10 122.019 122.019 118.864 3.155 25428 2722 1 8 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.480 -0.251 25428 2723 1 8 . 1 1 10 10 ASP C C 10 174.743 174.743 176.865 -2.122 25428 2724 1 8 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.959 -2.130 25428 2725 1 8 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.263 -4.298 25428 2726 1 8 . 1 1 11 11 ALA N N 11 121.088 121.088 119.909 1.179 25428 2727 1 8 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.382 -0.174 25428 2728 1 8 . 1 1 11 11 ALA C C 11 174.553 174.553 177.514 -2.961 25428 2729 1 8 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.299 -2.617 25428 2730 1 8 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.700 -3.309 25428 2731 1 8 . 1 1 12 12 GLY N N 12 104.096 104.096 105.104 -1.008 25428 2732 1 8 . 1 1 12 12 GLY C C 12 172.183 172.183 174.169 -1.986 25428 2733 1 8 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.817 -2.667 25428 2734 1 8 . 1 1 13 13 LEU N N 13 120.523 120.523 121.377 -0.854 25428 2735 1 8 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.796 -0.431 25428 2736 1 8 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.816 -1.663 25428 2737 1 8 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.182 -3.696 25428 2738 1 8 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.527 -0.176 25428 2739 1 8 . 1 1 14 14 PRO C C 14 174.611 174.611 177.208 -2.597 25428 2740 1 8 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.391 -2.663 25428 2741 1 8 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.702 -2.898 25428 2742 1 8 . 1 1 15 15 GLN N N 15 124.429 124.429 119.374 5.055 25428 2743 1 8 . 1 1 15 15 GLN HA H 15 3.689 3.689 4.045 -0.356 25428 2744 1 8 . 1 1 15 15 GLN C C 15 174.848 174.848 177.867 -3.019 25428 2745 1 8 . 1 1 15 15 GLN CA C 15 57.850 57.850 59.760 -1.910 25428 2746 1 8 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.671 -3.338 25428 2747 1 8 . 1 1 16 16 LYS N N 16 115.638 115.638 118.213 -2.575 25428 2748 1 8 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.198 -0.176 25428 2749 1 8 . 1 1 16 16 LYS C C 16 176.800 176.800 178.809 -2.009 25428 2750 1 8 . 1 1 16 16 LYS CA C 16 56.624 56.624 58.873 -2.249 25428 2751 1 8 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.587 -1.750 25428 2752 1 8 . 1 1 17 17 VAL N N 17 118.513 118.513 118.035 0.478 25428 2753 1 8 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.832 -0.442 25428 2754 1 8 . 1 1 17 17 VAL C C 17 173.946 173.946 177.795 -3.849 25428 2755 1 8 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.735 -2.924 25428 2756 1 8 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.702 -2.614 25428 2757 1 8 . 1 1 18 18 ALA N N 18 121.811 121.811 122.228 -0.417 25428 2758 1 8 . 1 1 18 18 ALA HA H 18 3.733 3.733 4.035 -0.302 25428 2759 1 8 . 1 1 18 18 ALA C C 18 176.571 176.571 180.054 -3.483 25428 2760 1 8 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.417 -2.898 25428 2761 1 8 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.984 -2.368 25428 2762 1 8 . 1 1 19 19 GLU N N 19 116.183 116.183 117.899 -1.716 25428 2763 1 8 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.054 -0.141 25428 2764 1 8 . 1 1 19 19 GLU C C 19 176.184 176.184 178.876 -2.692 25428 2765 1 8 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.397 -2.565 25428 2766 1 8 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.687 -2.573 25428 2767 1 8 . 1 1 20 20 LYS N N 20 120.202 120.202 117.628 2.574 25428 2768 1 8 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.327 -0.264 25428 2769 1 8 . 1 1 20 20 LYS C C 20 175.707 175.707 179.001 -3.294 25428 2770 1 8 . 1 1 20 20 LYS CA C 20 54.340 54.340 57.609 -3.269 25428 2771 1 8 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.833 -5.681 25428 2772 1 8 . 1 1 21 21 LEU N N 21 120.188 120.188 121.283 -1.095 25428 2773 1 8 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.160 -0.256 25428 2774 1 8 . 1 1 21 21 LEU C C 21 175.138 175.138 178.599 -3.461 25428 2775 1 8 . 1 1 21 21 LEU CA C 21 54.762 54.762 57.259 -2.497 25428 2776 1 8 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.267 -3.878 25428 2777 1 8 . 1 1 22 22 ASP N N 22 118.729 118.729 120.695 -1.966 25428 2778 1 8 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.572 -0.147 25428 2779 1 8 . 1 1 22 22 ASP C C 22 175.147 175.147 178.510 -3.363 25428 2780 1 8 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.675 -2.399 25428 2781 1 8 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.828 -1.525 25428 2782 1 8 . 1 1 23 23 GLU N N 23 117.201 117.201 119.151 -1.950 25428 2783 1 8 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.069 -0.180 25428 2784 1 8 . 1 1 23 23 GLU C C 23 177.140 177.140 178.798 -1.658 25428 2785 1 8 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.091 -2.342 25428 2786 1 8 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.556 -2.515 25428 2787 1 8 . 1 1 24 24 ILE N N 24 121.465 121.465 118.855 2.610 25428 2788 1 8 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.599 0.008 25428 2789 1 8 . 1 1 24 24 ILE C C 24 174.918 174.918 177.657 -2.739 25428 2790 1 8 . 1 1 24 24 ILE CA C 24 63.184 63.184 64.312 -1.128 25428 2791 1 8 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.794 -2.827 25428 2792 1 8 . 1 1 25 25 TYR N N 25 120.955 120.955 117.259 3.696 25428 2793 1 8 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.752 0.060 25428 2794 1 8 . 1 1 25 25 TYR C C 25 179.018 179.018 178.809 0.209 25428 2795 1 8 . 1 1 25 25 TYR CA C 25 56.172 56.172 59.976 -3.804 25428 2796 1 8 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.268 -3.849 25428 2797 1 8 . 1 1 26 26 VAL N N 26 123.429 123.429 121.311 2.118 25428 2798 1 8 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.739 -0.148 25428 2799 1 8 . 1 1 26 26 VAL C C 26 175.383 175.383 177.359 -1.976 25428 2800 1 8 . 1 1 26 26 VAL CA C 26 63.501 63.501 65.449 -1.948 25428 2801 1 8 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.559 -2.566 25428 2802 1 8 . 1 1 27 27 ALA N N 27 120.082 120.082 120.502 -0.420 25428 2803 1 8 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.341 -0.136 25428 2804 1 8 . 1 1 27 27 ALA C C 27 175.640 175.640 177.722 -2.082 25428 2805 1 8 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.155 -1.885 25428 2806 1 8 . 1 1 27 27 ALA CB C 27 15.992 15.992 19.018 -3.026 25428 2807 1 8 . 1 1 28 28 GLY N N 28 105.543 105.543 106.148 -0.605 25428 2808 1 8 . 1 1 28 28 GLY C C 28 172.315 172.315 175.027 -2.712 25428 2809 1 8 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.298 -2.759 25428 2810 1 8 . 1 1 29 29 LEU N N 29 119.155 119.155 120.036 -0.881 25428 2811 1 8 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.336 -0.331 25428 2812 1 8 . 1 1 29 29 LEU C C 29 173.807 173.807 175.991 -2.184 25428 2813 1 8 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.803 -2.723 25428 2814 1 8 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.510 -2.724 25428 2815 1 8 . 1 1 30 30 VAL N N 30 109.334 109.334 110.368 -1.034 25428 2816 1 8 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.541 -0.325 25428 2817 1 8 . 1 1 30 30 VAL C C 30 170.244 170.244 174.029 -3.785 25428 2818 1 8 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.267 -2.824 25428 2819 1 8 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.736 -2.371 25428 2820 1 8 . 1 1 31 31 ALA N N 31 126.238 126.238 124.675 1.563 25428 2821 1 8 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.644 -0.085 25428 2822 1 8 . 1 1 31 31 ALA C C 31 176.016 176.016 178.678 -2.662 25428 2823 1 8 . 1 1 31 31 ALA CA C 31 47.470 47.470 51.599 -4.128 25428 2824 1 8 . 1 1 31 31 ALA CB C 31 18.040 18.040 19.942 -1.902 25428 2825 1 8 . 1 1 32 32 HIS N N 32 120.680 120.680 119.837 0.843 25428 2826 1 8 . 1 1 32 32 HIS HA H 32 3.990 3.990 4.345 -0.355 25428 2827 1 8 . 1 1 32 32 HIS C C 32 174.379 174.379 176.449 -2.070 25428 2828 1 8 . 1 1 32 32 HIS CA C 32 56.668 56.668 58.734 -2.066 25428 2829 1 8 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.031 -2.579 25428 2830 1 8 . 1 1 33 33 SER N N 33 109.997 109.997 115.699 -5.702 25428 2831 1 8 . 1 1 33 33 SER HA H 33 4.125 4.125 4.254 -0.129 25428 2832 1 8 . 1 1 33 33 SER C C 33 172.444 172.444 174.431 -1.987 25428 2833 1 8 . 1 1 33 33 SER CA C 33 56.158 56.158 58.633 -2.475 25428 2834 1 8 . 1 1 33 33 SER CB C 33 60.045 60.045 62.187 -2.142 25428 2835 1 8 . 1 1 34 34 ASP N N 34 119.785 119.785 122.363 -2.578 25428 2836 1 8 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.567 -0.047 25428 2837 1 8 . 1 1 34 34 ASP CA C 34 53.516 53.516 56.005 -2.489 25428 2838 1 8 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.681 -2.191 25428 2839 1 8 . 1 1 35 35 LEU N N 35 118.248 118.248 121.333 -3.085 25428 2840 1 8 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.242 0.211 25428 2841 1 8 . 1 1 35 35 LEU CA C 35 50.364 50.364 55.554 -5.190 25428 2842 1 8 . 1 1 35 35 LEU CB C 35 38.642 38.642 41.281 -2.639 25428 2843 1 8 . 1 1 36 36 ASP N N 36 122.922 122.922 122.402 0.520 25428 2844 1 8 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.637 -0.212 25428 2845 1 8 . 1 1 36 36 ASP C C 36 173.050 173.050 177.139 -4.089 25428 2846 1 8 . 1 1 36 36 ASP CA C 36 49.746 49.746 52.504 -2.758 25428 2847 1 8 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.258 -3.089 25428 2848 1 8 . 1 1 37 37 GLU N N 37 119.277 119.277 119.668 -0.391 25428 2849 1 8 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.015 -0.189 25428 2850 1 8 . 1 1 37 37 GLU C C 37 175.878 175.878 178.209 -2.331 25428 2851 1 8 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.651 -2.728 25428 2852 1 8 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.657 -3.246 25428 2853 1 8 . 1 1 38 38 ARG N N 38 117.965 117.965 117.993 -0.028 25428 2854 1 8 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.065 -0.133 25428 2855 1 8 . 1 1 38 38 ARG C C 38 176.285 176.285 178.545 -2.260 25428 2856 1 8 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.862 -3.056 25428 2857 1 8 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.832 1.134 25428 2858 1 8 . 1 1 39 39 ALA N N 39 123.247 123.247 123.264 -0.017 25428 2859 1 8 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.306 -0.428 25428 2860 1 8 . 1 1 39 39 ALA C C 39 175.872 175.872 179.682 -3.810 25428 2861 1 8 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.635 -2.393 25428 2862 1 8 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.860 -3.669 25428 2863 1 8 . 1 1 40 40 ILE N N 40 116.462 116.462 119.309 -2.847 25428 2864 1 8 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.689 -0.245 25428 2865 1 8 . 1 1 40 40 ILE C C 40 175.056 175.056 178.305 -3.249 25428 2866 1 8 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.282 -2.433 25428 2867 1 8 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.390 -2.769 25428 2868 1 8 . 1 1 41 41 GLU N N 41 117.817 117.817 120.153 -2.336 25428 2869 1 8 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.985 -0.200 25428 2870 1 8 . 1 1 41 41 GLU C C 41 176.503 176.503 179.077 -2.574 25428 2871 1 8 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.247 -2.836 25428 2872 1 8 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.303 -2.943 25428 2873 1 8 . 1 1 42 42 ALA N N 42 120.852 120.852 121.998 -1.146 25428 2874 1 8 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.185 -0.117 25428 2875 1 8 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.554 -2.577 25428 2876 1 8 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.553 -3.224 25428 2877 1 8 . 1 1 43 43 LEU N N 43 120.443 120.443 118.501 1.942 25428 2878 1 8 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.240 -0.101 25428 2879 1 8 . 1 1 43 43 LEU C C 43 176.351 176.351 179.456 -3.105 25428 2880 1 8 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.660 -2.807 25428 2881 1 8 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.920 -2.334 25428 2882 1 8 . 1 1 44 44 LYS N N 44 116.644 116.644 117.365 -0.721 25428 2883 1 8 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.081 -0.056 25428 2884 1 8 . 1 1 44 44 LYS C C 44 174.406 174.406 177.481 -3.075 25428 2885 1 8 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.745 -3.314 25428 2886 1 8 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.313 -2.640 25428 2887 1 8 . 1 1 45 45 GLU N N 45 115.882 115.882 115.749 0.133 25428 2888 1 8 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.075 -0.061 25428 2889 1 8 . 1 1 45 45 GLU C C 45 174.383 174.383 176.811 -2.428 25428 2890 1 8 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.849 -2.568 25428 2891 1 8 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.611 -2.614 25428 2892 1 8 . 1 1 46 46 PHE N N 46 118.293 118.293 119.512 -1.219 25428 2893 1 8 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.485 -0.137 25428 2894 1 8 . 1 1 46 46 PHE C C 46 173.933 173.933 175.543 -1.610 25428 2895 1 8 . 1 1 46 46 PHE CA C 46 55.339 55.339 57.772 -2.433 25428 2896 1 8 . 1 1 46 46 PHE CB C 46 38.417 38.417 39.516 -1.099 25428 2897 1 8 . 1 1 47 47 ASN N N 47 117.552 117.552 123.150 -5.598 25428 2898 1 8 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.619 -0.012 25428 2899 1 8 . 1 1 47 47 ASN C C 47 172.500 172.500 176.206 -3.706 25428 2900 1 8 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.959 -3.299 25428 2901 1 8 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.291 -4.105 25428 2902 1 8 . 1 1 48 48 GLU N N 48 121.194 121.194 120.072 1.122 25428 2903 1 8 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.940 -0.262 25428 2904 1 8 . 1 1 48 48 GLU C C 48 174.313 174.313 178.533 -4.220 25428 2905 1 8 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.583 -2.197 25428 2906 1 8 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.590 -1.996 25428 2907 1 8 . 1 1 49 49 ASP N N 49 115.316 115.316 117.435 -2.119 25428 2908 1 8 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.570 -0.347 25428 2909 1 8 . 1 1 49 49 ASP C C 49 176.778 176.778 178.297 -1.519 25428 2910 1 8 . 1 1 49 49 ASP CA C 49 54.688 54.688 56.963 -2.275 25428 2911 1 8 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.258 -2.817 25428 2912 1 8 . 1 1 50 50 GLY N N 50 109.745 109.745 107.762 1.983 25428 2913 1 8 . 1 1 50 50 GLY C C 50 171.469 171.469 175.747 -4.278 25428 2914 1 8 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.707 -2.366 25428 2915 1 8 . 1 1 51 51 ALA N N 51 123.698 123.698 124.808 -1.110 25428 2916 1 8 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.770 -0.403 25428 2917 1 8 . 1 1 51 51 ALA C C 51 177.022 177.022 179.404 -2.382 25428 2918 1 8 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.578 -2.415 25428 2919 1 8 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.322 -1.512 25428 2920 1 8 . 1 1 52 52 LEU N N 52 115.728 115.728 119.218 -3.490 25428 2921 1 8 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.794 -0.006 25428 2922 1 8 . 1 1 52 52 LEU C C 52 176.760 176.760 178.837 -2.077 25428 2923 1 8 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.867 -2.606 25428 2924 1 8 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.639 -3.633 25428 2925 1 8 . 1 1 53 53 ALA N N 53 123.490 123.490 121.602 1.888 25428 2926 1 8 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.824 0.196 25428 2927 1 8 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.980 -2.542 25428 2928 1 8 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.878 -2.432 25428 2929 1 8 . 1 1 54 54 VAL N N 54 119.648 119.648 117.311 2.337 25428 2930 1 8 . 1 1 54 54 VAL HA H 54 3.078 3.078 2.955 0.123 25428 2931 1 8 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.513 -3.563 25428 2932 1 8 . 1 1 54 54 VAL CB C 54 28.357 28.357 31.070 -2.713 25428 2933 1 8 . 1 1 55 55 LEU N N 55 118.185 118.185 118.536 -0.351 25428 2934 1 8 . 1 1 55 55 LEU HA H 55 3.841 3.841 4.052 -0.211 25428 2935 1 8 . 1 1 55 55 LEU C C 55 175.988 175.988 178.835 -2.847 25428 2936 1 8 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.722 -3.067 25428 2937 1 8 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.266 -2.416 25428 2938 1 8 . 1 1 56 56 GLN N N 56 120.271 120.271 119.374 0.897 25428 2939 1 8 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.824 -0.069 25428 2940 1 8 . 1 1 56 56 GLN C C 56 174.357 174.357 178.191 -3.834 25428 2941 1 8 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.621 -3.902 25428 2942 1 8 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.427 -3.210 25428 2943 1 8 . 1 1 57 57 GLN N N 57 117.610 117.610 118.850 -1.240 25428 2944 1 8 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.129 -0.134 25428 2945 1 8 . 1 1 57 57 GLN C C 57 177.125 177.125 178.552 -1.427 25428 2946 1 8 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.986 -2.926 25428 2947 1 8 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.874 -3.726 25428 2948 1 8 . 1 1 58 58 PHE N N 58 120.365 120.365 121.740 -1.375 25428 2949 1 8 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.479 -0.279 25428 2950 1 8 . 1 1 58 58 PHE C C 58 172.960 172.960 178.275 -5.315 25428 2951 1 8 . 1 1 58 58 PHE CA C 58 58.622 58.622 60.638 -2.016 25428 2952 1 8 . 1 1 58 58 PHE CB C 58 37.309 37.309 38.886 -1.577 25428 2953 1 8 . 1 1 59 59 LYS N N 59 117.757 117.757 118.769 -1.012 25428 2954 1 8 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.721 -0.094 25428 2955 1 8 . 1 1 59 59 LYS C C 59 174.015 174.015 177.915 -3.900 25428 2956 1 8 . 1 1 59 59 LYS CA C 59 56.227 56.227 57.558 -1.331 25428 2957 1 8 . 1 1 59 59 LYS CB C 59 29.478 29.478 31.887 -2.409 25428 2958 1 8 . 1 1 60 60 ASP N N 60 116.580 116.580 118.781 -2.201 25428 2959 1 8 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.608 0.022 25428 2960 1 8 . 1 1 60 60 ASP C C 60 174.154 174.154 176.350 -2.196 25428 2961 1 8 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.784 -3.030 25428 2962 1 8 . 1 1 60 60 ASP CB C 60 38.013 38.013 40.910 -2.897 25428 2963 1 8 . 1 1 61 61 SER N N 61 117.142 117.142 115.079 2.063 25428 2964 1 8 . 1 1 61 61 SER HA H 61 4.383 4.383 4.568 -0.185 25428 2965 1 8 . 1 1 61 61 SER C C 61 169.538 169.538 173.560 -4.022 25428 2966 1 8 . 1 1 61 61 SER CA C 61 56.682 56.682 58.194 -1.512 25428 2967 1 8 . 1 1 61 61 SER CB C 61 61.698 61.698 64.391 -2.693 25428 2968 1 8 . 1 1 62 62 ASP N N 62 120.580 120.580 121.349 -0.769 25428 2969 1 8 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.654 -0.104 25428 2970 1 8 . 1 1 62 62 ASP CA C 62 50.266 50.266 52.975 -2.709 25428 2971 1 8 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.562 -4.383 25428 2972 1 8 . 1 1 63 63 LEU N N 63 126.269 126.269 124.435 1.834 25428 2973 1 8 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.002 -0.191 25428 2974 1 8 . 1 1 63 63 LEU CA C 63 51.921 51.921 54.487 -2.566 25428 2975 1 8 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.880 -2.877 25428 2976 1 8 . 1 1 64 64 SER N N 64 116.388 116.388 116.656 -0.268 25428 2977 1 8 . 1 1 64 64 SER HA H 64 3.862 3.862 4.058 -0.196 25428 2978 1 8 . 1 1 64 64 SER C C 64 172.812 172.812 176.202 -3.390 25428 2979 1 8 . 1 1 64 64 SER CA C 64 58.914 58.914 60.864 -1.950 25428 2980 1 8 . 1 1 64 64 SER CB C 64 59.851 59.851 62.992 -3.141 25428 2981 1 8 . 1 1 65 65 HIS N N 65 117.601 117.601 119.553 -1.952 25428 2982 1 8 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.574 0.139 25428 2983 1 8 . 1 1 65 65 HIS C C 65 171.008 171.008 174.026 -3.018 25428 2984 1 8 . 1 1 65 65 HIS CA C 65 52.236 52.236 54.779 -2.543 25428 2985 1 8 . 1 1 65 65 HIS CB C 65 25.765 25.765 29.236 -3.471 25428 2986 1 8 . 1 1 66 66 VAL N N 66 121.466 121.466 120.711 0.755 25428 2987 1 8 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.332 -0.475 25428 2988 1 8 . 1 1 66 66 VAL C C 66 172.336 172.336 175.544 -3.208 25428 2989 1 8 . 1 1 66 66 VAL CA C 66 59.147 59.147 61.024 -1.877 25428 2990 1 8 . 1 1 66 66 VAL CB C 66 29.577 29.577 33.589 -4.012 25428 2991 1 8 . 1 1 67 67 GLN N N 67 127.282 127.282 125.582 1.700 25428 2992 1 8 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.117 0.032 25428 2993 1 8 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.701 -3.601 25428 2994 1 8 . 1 1 67 67 GLN CB C 67 26.315 26.315 29.267 -2.952 25428 2995 1 8 . 1 1 68 68 ASN N N 68 117.044 117.044 115.906 1.138 25428 2996 1 8 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.954 -0.019 25428 2997 1 8 . 1 1 68 68 ASN CA C 68 48.730 48.730 51.261 -2.531 25428 2998 1 8 . 1 1 68 68 ASN CB C 68 35.131 35.131 37.652 -2.521 25428 2999 1 8 . 1 1 69 69 LYS N N 69 125.145 125.145 123.929 1.216 25428 3000 1 8 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.016 -0.083 25428 3001 1 8 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.478 -1.873 25428 3002 1 8 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.259 -1.964 25428 3003 1 8 . 1 1 70 70 SER N N 70 116.020 116.020 115.143 0.877 25428 3004 1 8 . 1 1 70 70 SER HA H 70 4.220 4.220 4.122 0.098 25428 3005 1 8 . 1 1 70 70 SER CA C 70 59.898 59.898 62.055 -2.157 25428 3006 1 8 . 1 1 70 70 SER CB C 70 59.848 59.848 62.592 -2.744 25428 3007 1 8 . 1 1 71 71 ALA N N 71 123.444 123.444 124.943 -1.499 25428 3008 1 8 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.039 -0.065 25428 3009 1 8 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.816 -2.946 25428 3010 1 8 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.273 -3.207 25428 3011 1 8 . 1 1 72 72 PHE N N 72 120.178 120.178 119.912 0.266 25428 3012 1 8 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.241 -0.099 25428 3013 1 8 . 1 1 72 72 PHE C C 72 175.653 175.653 177.056 -1.403 25428 3014 1 8 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.644 -2.727 25428 3015 1 8 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.599 -2.245 25428 3016 1 8 . 1 1 73 73 LEU N N 73 121.921 121.921 121.407 0.514 25428 3017 1 8 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.590 0.163 25428 3018 1 8 . 1 1 73 73 LEU C C 73 175.921 175.921 178.443 -2.522 25428 3019 1 8 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.245 -2.561 25428 3020 1 8 . 1 1 73 73 LEU CB C 73 37.424 37.424 40.814 -3.390 25428 3021 1 8 . 1 1 74 74 CYS N N 74 116.964 116.964 117.830 -0.866 25428 3022 1 8 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.070 0.042 25428 3023 1 8 . 1 1 74 74 CYS C C 74 174.901 174.901 176.833 -1.932 25428 3024 1 8 . 1 1 74 74 CYS CA C 74 61.104 61.104 62.762 -1.658 25428 3025 1 8 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.500 -2.868 25428 3026 1 8 . 1 1 75 75 GLY N N 75 110.524 110.524 108.373 2.151 25428 3027 1 8 . 1 1 75 75 GLY C C 75 173.633 173.633 175.755 -2.122 25428 3028 1 8 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.498 -3.113 25428 3029 1 8 . 1 1 76 76 VAL N N 76 124.398 124.398 123.578 0.820 25428 3030 1 8 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.691 -0.180 25428 3031 1 8 . 1 1 76 76 VAL CA C 76 63.391 63.391 65.853 -2.462 25428 3032 1 8 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.435 -2.936 25428 3033 1 8 . 1 1 77 77 MET N N 77 118.057 118.057 119.000 -0.943 25428 3034 1 8 . 1 1 77 77 MET HA H 77 3.755 3.755 3.956 -0.201 25428 3035 1 8 . 1 1 77 77 MET CA C 77 57.770 57.770 60.108 -2.338 25428 3036 1 8 . 1 1 77 77 MET CB C 77 31.029 31.029 32.069 -1.040 25428 3037 1 8 . 1 1 78 78 LYS N N 78 118.765 118.765 119.435 -0.670 25428 3038 1 8 . 1 1 78 78 LYS HA H 78 3.967 3.967 3.986 -0.019 25428 3039 1 8 . 1 1 78 78 LYS CA C 78 57.157 57.157 60.074 -2.917 25428 3040 1 8 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.574 -2.982 25428 3041 1 8 . 1 1 79 79 THR N N 79 114.076 114.076 115.338 -1.262 25428 3042 1 8 . 1 1 79 79 THR HA H 79 3.893 3.893 4.028 -0.135 25428 3043 1 8 . 1 1 79 79 THR CA C 79 62.715 62.715 66.279 -3.564 25428 3044 1 8 . 1 1 79 79 THR CB C 79 65.978 65.978 68.415 -2.437 25428 3045 1 8 . 1 1 80 80 TYR N N 80 123.194 123.194 122.684 0.510 25428 3046 1 8 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.230 -0.212 25428 3047 1 8 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.614 -2.782 25428 3048 1 8 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.214 -2.055 25428 3049 1 8 . 1 1 81 81 ARG N N 81 118.541 118.541 116.624 1.917 25428 3050 1 8 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.296 -0.240 25428 3051 1 8 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.543 -2.354 25428 3052 1 8 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.600 -2.930 25428 3053 1 8 . 1 1 82 82 GLN N N 82 117.664 117.664 119.282 -1.618 25428 3054 1 8 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.495 -0.384 25428 3055 1 8 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.138 -1.258 25428 3056 1 8 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.672 -3.684 25428 3057 1 8 . 1 1 83 83 ARG N N 83 119.552 119.552 122.016 -2.464 25428 3058 1 8 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.527 -0.412 25428 3059 1 8 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.920 -2.031 25428 3060 1 8 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.320 -2.509 25428 3061 1 8 . 1 1 84 84 GLU N N 84 121.362 121.362 122.781 -1.419 25428 3062 1 8 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.549 -0.416 25428 3063 1 8 . 1 1 84 84 GLU CA C 84 53.838 53.838 55.496 -1.658 25428 3064 1 8 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.910 -3.465 25428 3065 1 9 . 1 1 2 2 SER N N 2 119.046 119.046 115.406 3.640 25428 3066 1 9 . 1 1 2 2 SER HA H 2 4.509 4.509 4.668 -0.159 25428 3067 1 9 . 1 1 2 2 SER C C 2 172.827 172.827 175.577 -2.750 25428 3068 1 9 . 1 1 2 2 SER CA C 2 55.872 55.872 56.997 -1.125 25428 3069 1 9 . 1 1 2 2 SER CB C 2 61.645 61.645 64.036 -2.391 25428 3070 1 9 . 1 1 3 3 GLU N N 3 121.401 121.401 121.417 -0.016 25428 3071 1 9 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.214 -0.042 25428 3072 1 9 . 1 1 3 3 GLU C C 3 174.375 174.375 177.951 -3.576 25428 3073 1 9 . 1 1 3 3 GLU CA C 3 55.645 55.645 58.960 -3.315 25428 3074 1 9 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.456 -3.193 25428 3075 1 9 . 1 1 4 4 ASN N N 4 117.467 117.467 117.991 -0.524 25428 3076 1 9 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.414 0.125 25428 3077 1 9 . 1 1 4 4 ASN C C 4 172.792 172.792 176.595 -3.803 25428 3078 1 9 . 1 1 4 4 ASN CA C 4 51.568 51.568 54.900 -3.332 25428 3079 1 9 . 1 1 4 4 ASN CB C 4 36.628 36.628 37.463 -0.835 25428 3080 1 9 . 1 1 5 5 PHE N N 5 121.588 121.588 122.099 -0.511 25428 3081 1 9 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.058 -0.079 25428 3082 1 9 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.968 -3.289 25428 3083 1 9 . 1 1 5 5 PHE CB C 5 36.226 36.226 39.042 -2.817 25428 3084 1 9 . 1 1 6 6 GLN N N 6 117.868 117.868 117.597 0.271 25428 3085 1 9 . 1 1 6 6 GLN HA H 6 3.478 3.478 4.064 -0.586 25428 3086 1 9 . 1 1 6 6 GLN C C 6 174.670 174.670 177.908 -3.238 25428 3087 1 9 . 1 1 6 6 GLN CA C 6 55.301 55.301 59.104 -3.803 25428 3088 1 9 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.881 -2.624 25428 3089 1 9 . 1 1 7 7 THR N N 7 114.124 114.124 116.402 -2.278 25428 3090 1 9 . 1 1 7 7 THR HA H 7 3.862 3.862 3.940 -0.078 25428 3091 1 9 . 1 1 7 7 THR C C 7 173.949 173.949 175.980 -2.031 25428 3092 1 9 . 1 1 7 7 THR CA C 7 62.909 62.909 66.187 -3.278 25428 3093 1 9 . 1 1 7 7 THR CB C 7 65.814 65.814 68.103 -2.289 25428 3094 1 9 . 1 1 8 8 LEU N N 8 121.809 121.809 119.636 2.173 25428 3095 1 9 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.076 -0.183 25428 3096 1 9 . 1 1 8 8 LEU C C 8 175.915 175.915 179.039 -3.124 25428 3097 1 9 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.349 -2.737 25428 3098 1 9 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.828 -2.801 25428 3099 1 9 . 1 1 9 9 LEU N N 9 119.407 119.407 119.074 0.333 25428 3100 1 9 . 1 1 9 9 LEU HA H 9 3.999 3.999 3.897 0.102 25428 3101 1 9 . 1 1 9 9 LEU C C 9 179.642 179.642 178.724 0.918 25428 3102 1 9 . 1 1 9 9 LEU CA C 9 54.393 54.393 57.249 -2.856 25428 3103 1 9 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.693 -3.350 25428 3104 1 9 . 1 1 10 10 ASP N N 10 122.019 122.019 118.426 3.593 25428 3105 1 9 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.555 -0.326 25428 3106 1 9 . 1 1 10 10 ASP C C 10 174.743 174.743 176.769 -2.026 25428 3107 1 9 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.537 -1.708 25428 3108 1 9 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.292 -4.327 25428 3109 1 9 . 1 1 11 11 ALA N N 11 121.088 121.088 121.162 -0.074 25428 3110 1 9 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.582 -0.374 25428 3111 1 9 . 1 1 11 11 ALA C C 11 174.553 174.553 177.489 -2.936 25428 3112 1 9 . 1 1 11 11 ALA CA C 11 49.682 49.682 51.646 -1.964 25428 3113 1 9 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.543 -3.152 25428 3114 1 9 . 1 1 12 12 GLY N N 12 104.096 104.096 106.231 -2.135 25428 3115 1 9 . 1 1 12 12 GLY C C 12 172.183 172.183 173.995 -1.812 25428 3116 1 9 . 1 1 12 12 GLY CA C 12 42.150 42.150 45.505 -3.355 25428 3117 1 9 . 1 1 13 13 LEU N N 13 120.523 120.523 119.981 0.542 25428 3118 1 9 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.785 -0.420 25428 3119 1 9 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.449 -1.296 25428 3120 1 9 . 1 1 13 13 LEU CB C 13 38.486 38.486 43.150 -4.663 25428 3121 1 9 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.593 -0.242 25428 3122 1 9 . 1 1 14 14 PRO C C 14 174.611 174.611 177.325 -2.714 25428 3123 1 9 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.222 -2.494 25428 3124 1 9 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.911 -3.108 25428 3125 1 9 . 1 1 15 15 GLN N N 15 124.429 124.429 120.647 3.782 25428 3126 1 9 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.806 -0.117 25428 3127 1 9 . 1 1 15 15 GLN C C 15 174.848 174.848 177.585 -2.737 25428 3128 1 9 . 1 1 15 15 GLN CA C 15 57.850 57.850 59.899 -2.049 25428 3129 1 9 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.543 -3.210 25428 3130 1 9 . 1 1 16 16 LYS N N 16 115.638 115.638 117.652 -2.014 25428 3131 1 9 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.054 -0.032 25428 3132 1 9 . 1 1 16 16 LYS C C 16 176.800 176.800 179.113 -2.313 25428 3133 1 9 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.042 -2.418 25428 3134 1 9 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.794 -1.957 25428 3135 1 9 . 1 1 17 17 VAL N N 17 118.513 118.513 119.043 -0.530 25428 3136 1 9 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.668 -0.278 25428 3137 1 9 . 1 1 17 17 VAL C C 17 173.946 173.946 177.808 -3.862 25428 3138 1 9 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.888 -3.077 25428 3139 1 9 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.692 -2.604 25428 3140 1 9 . 1 1 18 18 ALA N N 18 121.811 121.811 122.756 -0.945 25428 3141 1 9 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.818 -0.085 25428 3142 1 9 . 1 1 18 18 ALA C C 18 176.571 176.571 179.585 -3.014 25428 3143 1 9 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.498 -2.979 25428 3144 1 9 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.724 -2.108 25428 3145 1 9 . 1 1 19 19 GLU N N 19 116.183 116.183 117.908 -1.725 25428 3146 1 9 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.375 -0.462 25428 3147 1 9 . 1 1 19 19 GLU C C 19 176.184 176.184 179.380 -3.196 25428 3148 1 9 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.712 -2.880 25428 3149 1 9 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.599 -2.485 25428 3150 1 9 . 1 1 20 20 LYS N N 20 120.202 120.202 117.202 3.000 25428 3151 1 9 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.336 -0.273 25428 3152 1 9 . 1 1 20 20 LYS C C 20 175.707 175.707 178.363 -2.656 25428 3153 1 9 . 1 1 20 20 LYS CA C 20 54.340 54.340 57.292 -2.952 25428 3154 1 9 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.502 -5.350 25428 3155 1 9 . 1 1 21 21 LEU N N 21 120.188 120.188 120.542 -0.354 25428 3156 1 9 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.128 -0.224 25428 3157 1 9 . 1 1 21 21 LEU C C 21 175.138 175.138 178.382 -3.244 25428 3158 1 9 . 1 1 21 21 LEU CA C 21 54.762 54.762 56.535 -1.773 25428 3159 1 9 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.091 -3.702 25428 3160 1 9 . 1 1 22 22 ASP N N 22 118.729 118.729 120.889 -2.160 25428 3161 1 9 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.812 -0.387 25428 3162 1 9 . 1 1 22 22 ASP C C 22 175.147 175.147 178.505 -3.358 25428 3163 1 9 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.542 -2.266 25428 3164 1 9 . 1 1 22 22 ASP CB C 22 39.303 39.303 41.116 -1.813 25428 3165 1 9 . 1 1 23 23 GLU N N 23 117.201 117.201 119.405 -2.204 25428 3166 1 9 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.099 -0.210 25428 3167 1 9 . 1 1 23 23 GLU C C 23 177.140 177.140 178.746 -1.606 25428 3168 1 9 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.204 -2.455 25428 3169 1 9 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.408 -2.367 25428 3170 1 9 . 1 1 24 24 ILE N N 24 121.465 121.465 118.157 3.308 25428 3171 1 9 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.779 -0.172 25428 3172 1 9 . 1 1 24 24 ILE C C 24 174.918 174.918 177.751 -2.833 25428 3173 1 9 . 1 1 24 24 ILE CA C 24 63.184 63.184 62.363 0.821 25428 3174 1 9 . 1 1 24 24 ILE CB C 24 34.967 34.967 36.867 -1.900 25428 3175 1 9 . 1 1 25 25 TYR N N 25 120.955 120.955 117.103 3.852 25428 3176 1 9 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.948 -0.136 25428 3177 1 9 . 1 1 25 25 TYR C C 25 179.018 179.018 178.215 0.803 25428 3178 1 9 . 1 1 25 25 TYR CA C 25 56.172 56.172 58.822 -2.650 25428 3179 1 9 . 1 1 25 25 TYR CB C 25 34.419 34.419 37.938 -3.519 25428 3180 1 9 . 1 1 26 26 VAL N N 26 123.429 123.429 117.791 5.638 25428 3181 1 9 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.927 -0.336 25428 3182 1 9 . 1 1 26 26 VAL C C 26 175.383 175.383 177.170 -1.787 25428 3183 1 9 . 1 1 26 26 VAL CA C 26 63.501 63.501 64.659 -1.157 25428 3184 1 9 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.642 -2.649 25428 3185 1 9 . 1 1 27 27 ALA N N 27 120.082 120.082 120.142 -0.060 25428 3186 1 9 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.536 -0.331 25428 3187 1 9 . 1 1 27 27 ALA C C 27 175.640 175.640 177.465 -1.825 25428 3188 1 9 . 1 1 27 27 ALA CA C 27 50.270 50.270 50.854 -0.584 25428 3189 1 9 . 1 1 27 27 ALA CB C 27 15.992 15.992 17.830 -1.838 25428 3190 1 9 . 1 1 28 28 GLY N N 28 105.543 105.543 108.301 -2.758 25428 3191 1 9 . 1 1 28 28 GLY C C 28 172.315 172.315 174.867 -2.552 25428 3192 1 9 . 1 1 28 28 GLY CA C 28 42.539 42.539 46.299 -3.760 25428 3193 1 9 . 1 1 29 29 LEU N N 29 119.155 119.155 119.025 0.130 25428 3194 1 9 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.279 -0.274 25428 3195 1 9 . 1 1 29 29 LEU C C 29 173.807 173.807 176.380 -2.573 25428 3196 1 9 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.190 -2.110 25428 3197 1 9 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.637 -2.851 25428 3198 1 9 . 1 1 30 30 VAL N N 30 109.334 109.334 109.966 -0.632 25428 3199 1 9 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.594 -0.378 25428 3200 1 9 . 1 1 30 30 VAL C C 30 170.244 170.244 174.032 -3.788 25428 3201 1 9 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.601 -3.157 25428 3202 1 9 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.347 -1.982 25428 3203 1 9 . 1 1 31 31 ALA N N 31 126.238 126.238 122.221 4.017 25428 3204 1 9 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.883 -0.324 25428 3205 1 9 . 1 1 31 31 ALA C C 31 176.016 176.016 178.504 -2.488 25428 3206 1 9 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.845 -3.375 25428 3207 1 9 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.603 -2.563 25428 3208 1 9 . 1 1 32 32 HIS N N 32 120.680 120.680 118.765 1.915 25428 3209 1 9 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.925 0.065 25428 3210 1 9 . 1 1 32 32 HIS C C 32 174.379 174.379 176.349 -1.970 25428 3211 1 9 . 1 1 32 32 HIS CA C 32 56.668 56.668 59.153 -2.485 25428 3212 1 9 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.045 -2.593 25428 3213 1 9 . 1 1 33 33 SER N N 33 109.997 109.997 111.835 -1.838 25428 3214 1 9 . 1 1 33 33 SER HA H 33 4.125 4.125 4.008 0.117 25428 3215 1 9 . 1 1 33 33 SER C C 33 172.444 172.444 175.304 -2.860 25428 3216 1 9 . 1 1 33 33 SER CA C 33 56.158 56.158 59.131 -2.973 25428 3217 1 9 . 1 1 33 33 SER CB C 33 60.045 60.045 62.205 -2.160 25428 3218 1 9 . 1 1 34 34 ASP N N 34 119.785 119.785 120.130 -0.345 25428 3219 1 9 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.700 -0.180 25428 3220 1 9 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.987 -2.471 25428 3221 1 9 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.633 -2.143 25428 3222 1 9 . 1 1 35 35 LEU N N 35 118.248 118.248 118.240 0.008 25428 3223 1 9 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.456 -0.003 25428 3224 1 9 . 1 1 35 35 LEU CA C 35 50.364 50.364 53.989 -3.625 25428 3225 1 9 . 1 1 35 35 LEU CB C 35 38.642 38.642 42.194 -3.552 25428 3226 1 9 . 1 1 36 36 ASP N N 36 122.922 122.922 118.107 4.815 25428 3227 1 9 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.793 -0.368 25428 3228 1 9 . 1 1 36 36 ASP C C 36 173.050 173.050 176.743 -3.693 25428 3229 1 9 . 1 1 36 36 ASP CA C 36 49.746 49.746 52.928 -3.182 25428 3230 1 9 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.659 -3.490 25428 3231 1 9 . 1 1 37 37 GLU N N 37 119.277 119.277 121.152 -1.875 25428 3232 1 9 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.035 -0.209 25428 3233 1 9 . 1 1 37 37 GLU C C 37 175.878 175.878 178.379 -2.501 25428 3234 1 9 . 1 1 37 37 GLU CA C 37 56.924 56.924 60.159 -3.235 25428 3235 1 9 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.864 -3.453 25428 3236 1 9 . 1 1 38 38 ARG N N 38 117.965 117.965 117.126 0.839 25428 3237 1 9 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.078 -0.146 25428 3238 1 9 . 1 1 38 38 ARG C C 38 176.285 176.285 178.540 -2.255 25428 3239 1 9 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.449 -2.643 25428 3240 1 9 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.858 1.107 25428 3241 1 9 . 1 1 39 39 ALA N N 39 123.247 123.247 123.849 -0.602 25428 3242 1 9 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.082 -0.204 25428 3243 1 9 . 1 1 39 39 ALA C C 39 175.872 175.872 179.047 -3.175 25428 3244 1 9 . 1 1 39 39 ALA CA C 39 52.242 52.242 55.031 -2.789 25428 3245 1 9 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.623 -3.432 25428 3246 1 9 . 1 1 40 40 ILE N N 40 116.462 116.462 119.086 -2.624 25428 3247 1 9 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.674 -0.230 25428 3248 1 9 . 1 1 40 40 ILE C C 40 175.056 175.056 178.372 -3.316 25428 3249 1 9 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.786 -2.938 25428 3250 1 9 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.355 -2.735 25428 3251 1 9 . 1 1 41 41 GLU N N 41 117.817 117.817 119.618 -1.801 25428 3252 1 9 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.876 -0.091 25428 3253 1 9 . 1 1 41 41 GLU C C 41 176.503 176.503 178.343 -1.840 25428 3254 1 9 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.272 -2.861 25428 3255 1 9 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.292 -2.932 25428 3256 1 9 . 1 1 42 42 ALA N N 42 120.852 120.852 122.117 -1.265 25428 3257 1 9 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.193 -0.125 25428 3258 1 9 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.555 -2.578 25428 3259 1 9 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.563 -3.234 25428 3260 1 9 . 1 1 43 43 LEU N N 43 120.443 120.443 117.254 3.189 25428 3261 1 9 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.182 -0.043 25428 3262 1 9 . 1 1 43 43 LEU C C 43 176.351 176.351 179.605 -3.254 25428 3263 1 9 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.640 -2.787 25428 3264 1 9 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.942 -2.356 25428 3265 1 9 . 1 1 44 44 LYS N N 44 116.644 116.644 117.861 -1.217 25428 3266 1 9 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.043 -0.018 25428 3267 1 9 . 1 1 44 44 LYS C C 44 174.406 174.406 177.904 -3.498 25428 3268 1 9 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.537 -3.106 25428 3269 1 9 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.224 -2.551 25428 3270 1 9 . 1 1 45 45 GLU N N 45 115.882 115.882 115.573 0.309 25428 3271 1 9 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.128 -0.114 25428 3272 1 9 . 1 1 45 45 GLU C C 45 174.383 174.383 176.636 -2.253 25428 3273 1 9 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.585 -2.304 25428 3274 1 9 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.214 -2.217 25428 3275 1 9 . 1 1 46 46 PHE N N 46 118.293 118.293 120.102 -1.809 25428 3276 1 9 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.348 -0.000 25428 3277 1 9 . 1 1 46 46 PHE C C 46 173.933 173.933 175.521 -1.588 25428 3278 1 9 . 1 1 46 46 PHE CA C 46 55.339 55.339 57.901 -2.562 25428 3279 1 9 . 1 1 46 46 PHE CB C 46 38.417 38.417 39.755 -1.338 25428 3280 1 9 . 1 1 47 47 ASN N N 47 117.552 117.552 120.671 -3.119 25428 3281 1 9 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.704 -0.097 25428 3282 1 9 . 1 1 47 47 ASN C C 47 172.500 172.500 176.124 -3.624 25428 3283 1 9 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.677 -3.017 25428 3284 1 9 . 1 1 47 47 ASN CB C 47 35.186 35.186 38.977 -3.791 25428 3285 1 9 . 1 1 48 48 GLU N N 48 121.194 121.194 119.793 1.401 25428 3286 1 9 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.897 -0.219 25428 3287 1 9 . 1 1 48 48 GLU C C 48 174.313 174.313 178.194 -3.881 25428 3288 1 9 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.593 -2.207 25428 3289 1 9 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.566 -1.972 25428 3290 1 9 . 1 1 49 49 ASP N N 49 115.316 115.316 115.905 -0.589 25428 3291 1 9 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.508 -0.285 25428 3292 1 9 . 1 1 49 49 ASP C C 49 176.778 176.778 178.219 -1.441 25428 3293 1 9 . 1 1 49 49 ASP CA C 49 54.688 54.688 56.534 -1.846 25428 3294 1 9 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.391 -2.950 25428 3295 1 9 . 1 1 50 50 GLY N N 50 109.745 109.745 108.001 1.744 25428 3296 1 9 . 1 1 50 50 GLY C C 50 171.469 171.469 175.168 -3.699 25428 3297 1 9 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.769 -2.428 25428 3298 1 9 . 1 1 51 51 ALA N N 51 123.698 123.698 124.911 -1.213 25428 3299 1 9 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.501 -0.134 25428 3300 1 9 . 1 1 51 51 ALA C C 51 177.022 177.022 178.989 -1.967 25428 3301 1 9 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.695 -2.532 25428 3302 1 9 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.576 -1.766 25428 3303 1 9 . 1 1 52 52 LEU N N 52 115.728 115.728 118.820 -3.092 25428 3304 1 9 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.886 -0.098 25428 3305 1 9 . 1 1 52 52 LEU C C 52 176.760 176.760 178.986 -2.226 25428 3306 1 9 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.207 -1.946 25428 3307 1 9 . 1 1 52 52 LEU CB C 52 38.006 38.006 40.526 -2.520 25428 3308 1 9 . 1 1 53 53 ALA N N 53 123.490 123.490 122.340 1.150 25428 3309 1 9 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.843 0.177 25428 3310 1 9 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.867 -2.429 25428 3311 1 9 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.968 -2.522 25428 3312 1 9 . 1 1 54 54 VAL N N 54 119.648 119.648 118.010 1.638 25428 3313 1 9 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.191 -0.113 25428 3314 1 9 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.065 -3.116 25428 3315 1 9 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.616 -2.259 25428 3316 1 9 . 1 1 55 55 LEU N N 55 118.185 118.185 118.556 -0.371 25428 3317 1 9 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.866 -0.025 25428 3318 1 9 . 1 1 55 55 LEU C C 55 175.988 175.988 179.000 -3.012 25428 3319 1 9 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.564 -2.909 25428 3320 1 9 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.324 -2.474 25428 3321 1 9 . 1 1 56 56 GLN N N 56 120.271 120.271 119.811 0.460 25428 3322 1 9 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.849 -0.094 25428 3323 1 9 . 1 1 56 56 GLN C C 56 174.357 174.357 178.196 -3.839 25428 3324 1 9 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.426 -3.707 25428 3325 1 9 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.619 -3.402 25428 3326 1 9 . 1 1 57 57 GLN N N 57 117.610 117.610 117.155 0.455 25428 3327 1 9 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.219 -0.224 25428 3328 1 9 . 1 1 57 57 GLN C C 57 177.125 177.125 177.444 -0.319 25428 3329 1 9 . 1 1 57 57 GLN CA C 57 56.060 56.060 57.757 -1.697 25428 3330 1 9 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.927 -3.779 25428 3331 1 9 . 1 1 58 58 PHE N N 58 120.365 120.365 118.844 1.521 25428 3332 1 9 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.571 -0.371 25428 3333 1 9 . 1 1 58 58 PHE C C 58 172.960 172.960 176.782 -3.822 25428 3334 1 9 . 1 1 58 58 PHE CA C 58 58.622 58.622 59.797 -1.175 25428 3335 1 9 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.732 -2.423 25428 3336 1 9 . 1 1 59 59 LYS N N 59 117.757 117.757 118.936 -1.179 25428 3337 1 9 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.958 -0.331 25428 3338 1 9 . 1 1 59 59 LYS C C 59 174.015 174.015 178.280 -4.265 25428 3339 1 9 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.891 -2.664 25428 3340 1 9 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.429 -2.951 25428 3341 1 9 . 1 1 60 60 ASP N N 60 116.580 116.580 120.623 -4.043 25428 3342 1 9 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.675 -0.045 25428 3343 1 9 . 1 1 60 60 ASP C C 60 174.154 174.154 175.279 -1.125 25428 3344 1 9 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.740 -2.986 25428 3345 1 9 . 1 1 60 60 ASP CB C 60 38.013 38.013 38.958 -0.945 25428 3346 1 9 . 1 1 61 61 SER N N 61 117.142 117.142 114.336 2.806 25428 3347 1 9 . 1 1 61 61 SER HA H 61 4.383 4.383 4.592 -0.209 25428 3348 1 9 . 1 1 61 61 SER C C 61 169.538 169.538 172.591 -3.053 25428 3349 1 9 . 1 1 61 61 SER CA C 61 56.682 56.682 57.268 -0.586 25428 3350 1 9 . 1 1 61 61 SER CB C 61 61.698 61.698 66.299 -4.601 25428 3351 1 9 . 1 1 62 62 ASP N N 62 120.580 120.580 121.694 -1.114 25428 3352 1 9 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.641 -0.091 25428 3353 1 9 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.577 -3.311 25428 3354 1 9 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.910 -4.731 25428 3355 1 9 . 1 1 63 63 LEU N N 63 126.269 126.269 124.948 1.321 25428 3356 1 9 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.287 -0.476 25428 3357 1 9 . 1 1 63 63 LEU CA C 63 51.921 51.921 53.981 -2.060 25428 3358 1 9 . 1 1 63 63 LEU CB C 63 39.003 39.003 42.111 -3.108 25428 3359 1 9 . 1 1 64 64 SER N N 64 116.388 116.388 118.170 -1.782 25428 3360 1 9 . 1 1 64 64 SER HA H 64 3.862 3.862 4.142 -0.280 25428 3361 1 9 . 1 1 64 64 SER C C 64 172.812 172.812 175.499 -2.687 25428 3362 1 9 . 1 1 64 64 SER CA C 64 58.914 58.914 61.212 -2.298 25428 3363 1 9 . 1 1 64 64 SER CB C 64 59.851 59.851 63.389 -3.538 25428 3364 1 9 . 1 1 65 65 HIS N N 65 117.601 117.601 119.128 -1.527 25428 3365 1 9 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.497 0.216 25428 3366 1 9 . 1 1 65 65 HIS C C 65 171.008 171.008 174.892 -3.884 25428 3367 1 9 . 1 1 65 65 HIS CA C 65 52.236 52.236 57.215 -4.979 25428 3368 1 9 . 1 1 65 65 HIS CB C 65 25.765 25.765 30.083 -4.318 25428 3369 1 9 . 1 1 66 66 VAL N N 66 121.466 121.466 118.794 2.672 25428 3370 1 9 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.017 -0.160 25428 3371 1 9 . 1 1 66 66 VAL C C 66 172.336 172.336 176.275 -3.939 25428 3372 1 9 . 1 1 66 66 VAL CA C 66 59.147 59.147 62.442 -3.295 25428 3373 1 9 . 1 1 66 66 VAL CB C 66 29.577 29.577 32.174 -2.597 25428 3374 1 9 . 1 1 67 67 GLN N N 67 127.282 127.282 124.307 2.975 25428 3375 1 9 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.198 -0.049 25428 3376 1 9 . 1 1 67 67 GLN CA C 67 55.100 55.100 57.173 -2.073 25428 3377 1 9 . 1 1 67 67 GLN CB C 67 26.315 26.315 29.041 -2.726 25428 3378 1 9 . 1 1 68 68 ASN N N 68 117.044 117.044 118.182 -1.138 25428 3379 1 9 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.841 0.094 25428 3380 1 9 . 1 1 68 68 ASN CA C 68 48.730 48.730 51.663 -2.933 25428 3381 1 9 . 1 1 68 68 ASN CB C 68 35.131 35.131 38.194 -3.063 25428 3382 1 9 . 1 1 69 69 LYS N N 69 125.145 125.145 123.902 1.243 25428 3383 1 9 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.169 -0.236 25428 3384 1 9 . 1 1 69 69 LYS CA C 69 57.605 57.605 58.836 -1.231 25428 3385 1 9 . 1 1 69 69 LYS CB C 69 30.295 30.295 31.945 -1.651 25428 3386 1 9 . 1 1 70 70 SER N N 70 116.020 116.020 115.636 0.384 25428 3387 1 9 . 1 1 70 70 SER HA H 70 4.220 4.220 4.174 0.046 25428 3388 1 9 . 1 1 70 70 SER CA C 70 59.898 59.898 61.618 -1.720 25428 3389 1 9 . 1 1 70 70 SER CB C 70 59.848 59.848 62.748 -2.900 25428 3390 1 9 . 1 1 71 71 ALA N N 71 123.444 123.444 121.969 1.475 25428 3391 1 9 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.266 -0.292 25428 3392 1 9 . 1 1 71 71 ALA CA C 71 51.870 51.870 53.973 -2.103 25428 3393 1 9 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.305 -3.238 25428 3394 1 9 . 1 1 72 72 PHE N N 72 120.178 120.178 119.267 0.911 25428 3395 1 9 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.524 -0.382 25428 3396 1 9 . 1 1 72 72 PHE C C 72 175.653 175.653 176.630 -0.977 25428 3397 1 9 . 1 1 72 72 PHE CA C 72 58.917 58.917 60.664 -1.747 25428 3398 1 9 . 1 1 72 72 PHE CB C 72 37.354 37.354 40.981 -3.627 25428 3399 1 9 . 1 1 73 73 LEU N N 73 121.921 121.921 122.338 -0.417 25428 3400 1 9 . 1 1 73 73 LEU HA H 73 3.753 3.753 4.207 -0.454 25428 3401 1 9 . 1 1 73 73 LEU C C 73 175.921 175.921 178.533 -2.612 25428 3402 1 9 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.768 -3.084 25428 3403 1 9 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.468 -4.044 25428 3404 1 9 . 1 1 74 74 CYS N N 74 116.964 116.964 117.384 -0.420 25428 3405 1 9 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.128 -0.016 25428 3406 1 9 . 1 1 74 74 CYS C C 74 174.901 174.901 176.929 -2.028 25428 3407 1 9 . 1 1 74 74 CYS CA C 74 61.104 61.104 62.956 -1.852 25428 3408 1 9 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.693 -3.061 25428 3409 1 9 . 1 1 75 75 GLY N N 75 110.524 110.524 107.265 3.259 25428 3410 1 9 . 1 1 75 75 GLY C C 75 173.633 173.633 175.532 -1.899 25428 3411 1 9 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.321 -2.936 25428 3412 1 9 . 1 1 76 76 VAL N N 76 124.398 124.398 123.619 0.779 25428 3413 1 9 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.693 -0.182 25428 3414 1 9 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.031 -2.640 25428 3415 1 9 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.773 -3.274 25428 3416 1 9 . 1 1 77 77 MET N N 77 118.057 118.057 118.276 -0.219 25428 3417 1 9 . 1 1 77 77 MET HA H 77 3.755 3.755 4.166 -0.411 25428 3418 1 9 . 1 1 77 77 MET CA C 77 57.770 57.770 59.678 -1.908 25428 3419 1 9 . 1 1 77 77 MET CB C 77 31.029 31.029 31.779 -0.750 25428 3420 1 9 . 1 1 78 78 LYS N N 78 118.765 118.765 119.679 -0.914 25428 3421 1 9 . 1 1 78 78 LYS HA H 78 3.967 3.967 3.999 -0.032 25428 3422 1 9 . 1 1 78 78 LYS CA C 78 57.157 57.157 60.146 -2.989 25428 3423 1 9 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.231 -2.639 25428 3424 1 9 . 1 1 79 79 THR N N 79 114.076 114.076 114.146 -0.070 25428 3425 1 9 . 1 1 79 79 THR HA H 79 3.893 3.893 4.064 -0.171 25428 3426 1 9 . 1 1 79 79 THR CA C 79 62.715 62.715 65.935 -3.220 25428 3427 1 9 . 1 1 79 79 THR CB C 79 65.978 65.978 68.712 -2.734 25428 3428 1 9 . 1 1 80 80 TYR N N 80 123.194 123.194 121.864 1.330 25428 3429 1 9 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.263 -0.245 25428 3430 1 9 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.687 -2.855 25428 3431 1 9 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.292 -2.133 25428 3432 1 9 . 1 1 81 81 ARG N N 81 118.541 118.541 118.233 0.308 25428 3433 1 9 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.370 -0.314 25428 3434 1 9 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.344 -2.155 25428 3435 1 9 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.638 -2.968 25428 3436 1 9 . 1 1 82 82 GLN N N 82 117.664 117.664 117.933 -0.269 25428 3437 1 9 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.681 -0.570 25428 3438 1 9 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.356 -1.476 25428 3439 1 9 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.759 -3.771 25428 3440 1 9 . 1 1 83 83 ARG N N 83 119.552 119.552 118.756 0.796 25428 3441 1 9 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.468 -0.353 25428 3442 1 9 . 1 1 83 83 ARG CA C 83 53.889 53.889 56.086 -2.197 25428 3443 1 9 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.599 -2.788 25428 3444 1 9 . 1 1 84 84 GLU N N 84 121.362 121.362 121.089 0.273 25428 3445 1 9 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.210 -0.077 25428 3446 1 9 . 1 1 84 84 GLU CA C 84 53.838 53.838 57.415 -3.577 25428 3447 1 9 . 1 1 84 84 GLU CB C 84 27.445 27.445 29.426 -1.981 25428 3448 1 10 . 1 1 2 2 SER N N 2 119.046 119.046 115.085 3.961 25428 3449 1 10 . 1 1 2 2 SER HA H 2 4.509 4.509 4.748 -0.239 25428 3450 1 10 . 1 1 2 2 SER C C 2 172.827 172.827 175.719 -2.892 25428 3451 1 10 . 1 1 2 2 SER CA C 2 55.872 55.872 56.393 -0.521 25428 3452 1 10 . 1 1 2 2 SER CB C 2 61.645 61.645 64.701 -3.056 25428 3453 1 10 . 1 1 3 3 GLU N N 3 121.401 121.401 121.350 0.051 25428 3454 1 10 . 1 1 3 3 GLU HA H 3 4.172 4.172 3.951 0.221 25428 3455 1 10 . 1 1 3 3 GLU C C 3 174.375 174.375 178.308 -3.933 25428 3456 1 10 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.630 -3.985 25428 3457 1 10 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.191 -2.928 25428 3458 1 10 . 1 1 4 4 ASN N N 4 117.467 117.467 118.335 -0.868 25428 3459 1 10 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.363 0.176 25428 3460 1 10 . 1 1 4 4 ASN C C 4 172.792 172.792 177.063 -4.271 25428 3461 1 10 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.591 -4.023 25428 3462 1 10 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.046 -1.418 25428 3463 1 10 . 1 1 5 5 PHE N N 5 121.588 121.588 121.760 -0.172 25428 3464 1 10 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.095 -0.116 25428 3465 1 10 . 1 1 5 5 PHE CA C 5 58.679 58.679 62.240 -3.561 25428 3466 1 10 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.763 -2.537 25428 3467 1 10 . 1 1 6 6 GLN N N 6 117.868 117.868 116.389 1.479 25428 3468 1 10 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.861 -0.383 25428 3469 1 10 . 1 1 6 6 GLN C C 6 174.670 174.670 178.123 -3.453 25428 3470 1 10 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.861 -3.561 25428 3471 1 10 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.777 -2.520 25428 3472 1 10 . 1 1 7 7 THR N N 7 114.124 114.124 116.728 -2.604 25428 3473 1 10 . 1 1 7 7 THR HA H 7 3.862 3.862 3.993 -0.131 25428 3474 1 10 . 1 1 7 7 THR C C 7 173.949 173.949 176.289 -2.340 25428 3475 1 10 . 1 1 7 7 THR CA C 7 62.909 62.909 66.020 -3.111 25428 3476 1 10 . 1 1 7 7 THR CB C 7 65.814 65.814 68.484 -2.670 25428 3477 1 10 . 1 1 8 8 LEU N N 8 121.809 121.809 122.141 -0.332 25428 3478 1 10 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.042 -0.149 25428 3479 1 10 . 1 1 8 8 LEU C C 8 175.915 175.915 178.355 -2.440 25428 3480 1 10 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.485 -2.873 25428 3481 1 10 . 1 1 8 8 LEU CB C 8 39.027 39.027 40.511 -1.484 25428 3482 1 10 . 1 1 9 9 LEU N N 9 119.407 119.407 115.499 3.908 25428 3483 1 10 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.246 -0.247 25428 3484 1 10 . 1 1 9 9 LEU C C 9 179.642 179.642 178.023 1.619 25428 3485 1 10 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.481 -2.088 25428 3486 1 10 . 1 1 9 9 LEU CB C 9 38.343 38.343 40.775 -2.432 25428 3487 1 10 . 1 1 10 10 ASP N N 10 122.019 122.019 117.723 4.296 25428 3488 1 10 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.631 -0.402 25428 3489 1 10 . 1 1 10 10 ASP C C 10 174.743 174.743 177.491 -2.748 25428 3490 1 10 . 1 1 10 10 ASP CA C 10 53.829 53.829 54.739 -0.910 25428 3491 1 10 . 1 1 10 10 ASP CB C 10 36.965 36.965 42.213 -5.248 25428 3492 1 10 . 1 1 11 11 ALA N N 11 121.088 121.088 122.363 -1.275 25428 3493 1 10 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.506 -0.298 25428 3494 1 10 . 1 1 11 11 ALA C C 11 174.553 174.553 177.398 -2.845 25428 3495 1 10 . 1 1 11 11 ALA CA C 11 49.682 49.682 51.402 -1.720 25428 3496 1 10 . 1 1 11 11 ALA CB C 11 15.391 15.391 17.321 -1.930 25428 3497 1 10 . 1 1 12 12 GLY N N 12 104.096 104.096 106.274 -2.178 25428 3498 1 10 . 1 1 12 12 GLY C C 12 172.183 172.183 174.342 -2.159 25428 3499 1 10 . 1 1 12 12 GLY CA C 12 42.150 42.150 45.319 -3.170 25428 3500 1 10 . 1 1 13 13 LEU N N 13 120.523 120.523 120.682 -0.159 25428 3501 1 10 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.806 -0.441 25428 3502 1 10 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.744 -1.591 25428 3503 1 10 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.479 -3.993 25428 3504 1 10 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.600 -0.249 25428 3505 1 10 . 1 1 14 14 PRO C C 14 174.611 174.611 177.299 -2.688 25428 3506 1 10 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.228 -2.500 25428 3507 1 10 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.821 -3.018 25428 3508 1 10 . 1 1 15 15 GLN N N 15 124.429 124.429 120.569 3.860 25428 3509 1 10 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.967 -0.278 25428 3510 1 10 . 1 1 15 15 GLN C C 15 174.848 174.848 177.793 -2.945 25428 3511 1 10 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.077 -2.227 25428 3512 1 10 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.689 -3.356 25428 3513 1 10 . 1 1 16 16 LYS N N 16 115.638 115.638 118.835 -3.197 25428 3514 1 10 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.162 -0.140 25428 3515 1 10 . 1 1 16 16 LYS C C 16 176.800 176.800 178.808 -2.008 25428 3516 1 10 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.334 -2.710 25428 3517 1 10 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.714 -1.877 25428 3518 1 10 . 1 1 17 17 VAL N N 17 118.513 118.513 118.431 0.082 25428 3519 1 10 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.714 -0.324 25428 3520 1 10 . 1 1 17 17 VAL C C 17 173.946 173.946 177.915 -3.969 25428 3521 1 10 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.703 -2.892 25428 3522 1 10 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.087 -1.999 25428 3523 1 10 . 1 1 18 18 ALA N N 18 121.811 121.811 122.103 -0.292 25428 3524 1 10 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.948 -0.215 25428 3525 1 10 . 1 1 18 18 ALA C C 18 176.571 176.571 180.012 -3.441 25428 3526 1 10 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.569 -3.050 25428 3527 1 10 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.960 -2.344 25428 3528 1 10 . 1 1 19 19 GLU N N 19 116.183 116.183 117.411 -1.228 25428 3529 1 10 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.154 -0.241 25428 3530 1 10 . 1 1 19 19 GLU C C 19 176.184 176.184 179.493 -3.309 25428 3531 1 10 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.986 -3.154 25428 3532 1 10 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.562 -2.448 25428 3533 1 10 . 1 1 20 20 LYS N N 20 120.202 120.202 118.569 1.633 25428 3534 1 10 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.208 -0.145 25428 3535 1 10 . 1 1 20 20 LYS C C 20 175.707 175.707 179.083 -3.376 25428 3536 1 10 . 1 1 20 20 LYS CA C 20 54.340 54.340 58.095 -3.755 25428 3537 1 10 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.222 -5.070 25428 3538 1 10 . 1 1 21 21 LEU N N 21 120.188 120.188 120.857 -0.669 25428 3539 1 10 . 1 1 21 21 LEU HA H 21 3.904 3.904 3.996 -0.092 25428 3540 1 10 . 1 1 21 21 LEU C C 21 175.138 175.138 178.710 -3.572 25428 3541 1 10 . 1 1 21 21 LEU CA C 21 54.762 54.762 57.285 -2.523 25428 3542 1 10 . 1 1 21 21 LEU CB C 21 38.389 38.389 41.752 -3.363 25428 3543 1 10 . 1 1 22 22 ASP N N 22 118.729 118.729 120.292 -1.563 25428 3544 1 10 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.567 -0.142 25428 3545 1 10 . 1 1 22 22 ASP C C 22 175.147 175.147 178.306 -3.159 25428 3546 1 10 . 1 1 22 22 ASP CA C 22 55.276 55.276 58.151 -2.875 25428 3547 1 10 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.828 -1.525 25428 3548 1 10 . 1 1 23 23 GLU N N 23 117.201 117.201 117.989 -0.788 25428 3549 1 10 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.081 -0.192 25428 3550 1 10 . 1 1 23 23 GLU C C 23 177.140 177.140 178.727 -1.587 25428 3551 1 10 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.471 -2.722 25428 3552 1 10 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.523 -2.482 25428 3553 1 10 . 1 1 24 24 ILE N N 24 121.465 121.465 118.354 3.111 25428 3554 1 10 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.666 -0.059 25428 3555 1 10 . 1 1 24 24 ILE C C 24 174.918 174.918 177.672 -2.754 25428 3556 1 10 . 1 1 24 24 ILE CA C 24 63.184 63.184 64.251 -1.067 25428 3557 1 10 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.571 -2.604 25428 3558 1 10 . 1 1 25 25 TYR N N 25 120.955 120.955 118.586 2.369 25428 3559 1 10 . 1 1 25 25 TYR HA H 25 4.812 4.812 5.029 -0.217 25428 3560 1 10 . 1 1 25 25 TYR C C 25 179.018 179.018 179.099 -0.081 25428 3561 1 10 . 1 1 25 25 TYR CA C 25 56.172 56.172 58.675 -2.503 25428 3562 1 10 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.273 -3.854 25428 3563 1 10 . 1 1 26 26 VAL N N 26 123.429 123.429 121.543 1.886 25428 3564 1 10 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.671 -0.080 25428 3565 1 10 . 1 1 26 26 VAL C C 26 175.383 175.383 177.311 -1.928 25428 3566 1 10 . 1 1 26 26 VAL CA C 26 63.501 63.501 65.892 -2.391 25428 3567 1 10 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.625 -2.632 25428 3568 1 10 . 1 1 27 27 ALA N N 27 120.082 120.082 118.191 1.891 25428 3569 1 10 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.303 -0.098 25428 3570 1 10 . 1 1 27 27 ALA C C 27 175.640 175.640 178.144 -2.504 25428 3571 1 10 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.041 -1.771 25428 3572 1 10 . 1 1 27 27 ALA CB C 27 15.992 15.992 18.724 -2.732 25428 3573 1 10 . 1 1 28 28 GLY N N 28 105.543 105.543 107.462 -1.919 25428 3574 1 10 . 1 1 28 28 GLY C C 28 172.315 172.315 175.579 -3.264 25428 3575 1 10 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.976 -3.437 25428 3576 1 10 . 1 1 29 29 LEU N N 29 119.155 119.155 119.513 -0.358 25428 3577 1 10 . 1 1 29 29 LEU HA H 29 4.005 4.005 3.951 0.054 25428 3578 1 10 . 1 1 29 29 LEU C C 29 173.807 173.807 176.369 -2.562 25428 3579 1 10 . 1 1 29 29 LEU CA C 29 54.080 54.080 57.439 -3.359 25428 3580 1 10 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.078 -2.292 25428 3581 1 10 . 1 1 30 30 VAL N N 30 109.334 109.334 109.546 -0.212 25428 3582 1 10 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.481 -0.265 25428 3583 1 10 . 1 1 30 30 VAL C C 30 170.244 170.244 174.438 -4.194 25428 3584 1 10 . 1 1 30 30 VAL CA C 30 56.444 56.444 60.130 -3.686 25428 3585 1 10 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.456 -2.091 25428 3586 1 10 . 1 1 31 31 ALA N N 31 126.238 126.238 121.825 4.413 25428 3587 1 10 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.856 -0.297 25428 3588 1 10 . 1 1 31 31 ALA C C 31 176.016 176.016 177.743 -1.727 25428 3589 1 10 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.780 -3.310 25428 3590 1 10 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.980 -2.940 25428 3591 1 10 . 1 1 32 32 HIS N N 32 120.680 120.680 116.647 4.033 25428 3592 1 10 . 1 1 32 32 HIS HA H 32 3.990 3.990 2.339 1.651 25428 3593 1 10 . 1 1 32 32 HIS C C 32 174.379 174.379 174.608 -0.229 25428 3594 1 10 . 1 1 32 32 HIS CA C 32 56.668 56.668 56.573 0.095 25428 3595 1 10 . 1 1 32 32 HIS CB C 32 26.452 26.452 28.990 -2.538 25428 3596 1 10 . 1 1 33 33 SER N N 33 109.997 109.997 112.716 -2.719 25428 3597 1 10 . 1 1 33 33 SER HA H 33 4.125 4.125 4.443 -0.318 25428 3598 1 10 . 1 1 33 33 SER C C 33 172.444 172.444 174.517 -2.073 25428 3599 1 10 . 1 1 33 33 SER CA C 33 56.158 56.158 56.695 -0.537 25428 3600 1 10 . 1 1 33 33 SER CB C 33 60.045 60.045 63.388 -3.343 25428 3601 1 10 . 1 1 34 34 ASP N N 34 119.785 119.785 120.857 -1.072 25428 3602 1 10 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.535 -0.015 25428 3603 1 10 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.161 -1.645 25428 3604 1 10 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.018 -1.528 25428 3605 1 10 . 1 1 35 35 LEU N N 35 118.248 118.248 119.090 -0.842 25428 3606 1 10 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.478 -0.025 25428 3607 1 10 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.160 -3.796 25428 3608 1 10 . 1 1 35 35 LEU CB C 35 38.642 38.642 43.632 -4.990 25428 3609 1 10 . 1 1 36 36 ASP N N 36 122.922 122.922 119.869 3.053 25428 3610 1 10 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.728 -0.303 25428 3611 1 10 . 1 1 36 36 ASP C C 36 173.050 173.050 176.555 -3.505 25428 3612 1 10 . 1 1 36 36 ASP CA C 36 49.746 49.746 52.894 -3.148 25428 3613 1 10 . 1 1 36 36 ASP CB C 36 39.169 39.169 41.699 -2.530 25428 3614 1 10 . 1 1 37 37 GLU N N 37 119.277 119.277 121.173 -1.896 25428 3615 1 10 . 1 1 37 37 GLU HA H 37 3.826 3.826 3.977 -0.151 25428 3616 1 10 . 1 1 37 37 GLU C C 37 175.878 175.878 178.147 -2.269 25428 3617 1 10 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.651 -2.727 25428 3618 1 10 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.661 -3.250 25428 3619 1 10 . 1 1 38 38 ARG N N 38 117.965 117.965 117.392 0.573 25428 3620 1 10 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.253 -0.321 25428 3621 1 10 . 1 1 38 38 ARG C C 38 176.285 176.285 178.532 -2.247 25428 3622 1 10 . 1 1 38 38 ARG CA C 38 55.806 55.806 57.707 -1.901 25428 3623 1 10 . 1 1 38 38 ARG CB C 38 30.966 30.966 30.053 0.913 25428 3624 1 10 . 1 1 39 39 ALA N N 39 123.247 123.247 124.358 -1.111 25428 3625 1 10 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.201 -0.323 25428 3626 1 10 . 1 1 39 39 ALA C C 39 175.872 175.872 178.894 -3.022 25428 3627 1 10 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.816 -2.574 25428 3628 1 10 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.776 -3.585 25428 3629 1 10 . 1 1 40 40 ILE N N 40 116.462 116.462 119.581 -3.119 25428 3630 1 10 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.553 -0.109 25428 3631 1 10 . 1 1 40 40 ILE C C 40 175.056 175.056 178.026 -2.970 25428 3632 1 10 . 1 1 40 40 ILE CA C 40 60.848 60.848 66.216 -5.368 25428 3633 1 10 . 1 1 40 40 ILE CB C 40 33.621 33.621 37.806 -4.186 25428 3634 1 10 . 1 1 41 41 GLU N N 41 117.817 117.817 119.929 -2.112 25428 3635 1 10 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.958 -0.173 25428 3636 1 10 . 1 1 41 41 GLU C C 41 176.503 176.503 177.699 -1.196 25428 3637 1 10 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.463 -3.052 25428 3638 1 10 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.684 -3.324 25428 3639 1 10 . 1 1 42 42 ALA N N 42 120.852 120.852 119.587 1.265 25428 3640 1 10 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.407 -0.339 25428 3641 1 10 . 1 1 42 42 ALA CA C 42 51.977 51.977 53.938 -1.961 25428 3642 1 10 . 1 1 42 42 ALA CB C 42 15.329 15.329 19.301 -3.972 25428 3643 1 10 . 1 1 43 43 LEU N N 43 120.443 120.443 120.211 0.232 25428 3644 1 10 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.182 -0.043 25428 3645 1 10 . 1 1 43 43 LEU C C 43 176.351 176.351 179.090 -2.739 25428 3646 1 10 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.498 -2.645 25428 3647 1 10 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.886 -2.300 25428 3648 1 10 . 1 1 44 44 LYS N N 44 116.644 116.644 116.985 -0.341 25428 3649 1 10 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.123 -0.098 25428 3650 1 10 . 1 1 44 44 LYS C C 44 174.406 174.406 177.356 -2.950 25428 3651 1 10 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.237 -2.806 25428 3652 1 10 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.189 -2.516 25428 3653 1 10 . 1 1 45 45 GLU N N 45 115.882 115.882 116.577 -0.695 25428 3654 1 10 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.287 -0.273 25428 3655 1 10 . 1 1 45 45 GLU C C 45 174.383 174.383 176.537 -2.154 25428 3656 1 10 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.037 -1.756 25428 3657 1 10 . 1 1 45 45 GLU CB C 45 26.997 26.997 30.060 -3.063 25428 3658 1 10 . 1 1 46 46 PHE N N 46 118.293 118.293 120.295 -2.002 25428 3659 1 10 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.509 -0.161 25428 3660 1 10 . 1 1 46 46 PHE C C 46 173.933 173.933 175.200 -1.267 25428 3661 1 10 . 1 1 46 46 PHE CA C 46 55.339 55.339 57.953 -2.614 25428 3662 1 10 . 1 1 46 46 PHE CB C 46 38.417 38.417 40.164 -1.747 25428 3663 1 10 . 1 1 47 47 ASN N N 47 117.552 117.552 119.900 -2.348 25428 3664 1 10 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.780 -0.173 25428 3665 1 10 . 1 1 47 47 ASN C C 47 172.500 172.500 175.978 -3.478 25428 3666 1 10 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.462 -2.802 25428 3667 1 10 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.406 -4.220 25428 3668 1 10 . 1 1 48 48 GLU N N 48 121.194 121.194 120.031 1.163 25428 3669 1 10 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.927 -0.249 25428 3670 1 10 . 1 1 48 48 GLU C C 48 174.313 174.313 178.152 -3.839 25428 3671 1 10 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.521 -2.135 25428 3672 1 10 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.605 -2.011 25428 3673 1 10 . 1 1 49 49 ASP N N 49 115.316 115.316 117.826 -2.510 25428 3674 1 10 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.502 -0.279 25428 3675 1 10 . 1 1 49 49 ASP C C 49 176.778 176.778 178.299 -1.521 25428 3676 1 10 . 1 1 49 49 ASP CA C 49 54.688 54.688 57.154 -2.466 25428 3677 1 10 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.163 -2.722 25428 3678 1 10 . 1 1 50 50 GLY N N 50 109.745 109.745 108.171 1.574 25428 3679 1 10 . 1 1 50 50 GLY C C 50 171.469 171.469 175.543 -4.074 25428 3680 1 10 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.596 -2.255 25428 3681 1 10 . 1 1 51 51 ALA N N 51 123.698 123.698 124.770 -1.072 25428 3682 1 10 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.633 -0.266 25428 3683 1 10 . 1 1 51 51 ALA C C 51 177.022 177.022 179.561 -2.539 25428 3684 1 10 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.882 -2.719 25428 3685 1 10 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.163 -1.353 25428 3686 1 10 . 1 1 52 52 LEU N N 52 115.728 115.728 118.337 -2.609 25428 3687 1 10 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.939 -0.151 25428 3688 1 10 . 1 1 52 52 LEU C C 52 176.760 176.760 179.132 -2.372 25428 3689 1 10 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.456 -2.195 25428 3690 1 10 . 1 1 52 52 LEU CB C 52 38.006 38.006 40.645 -2.639 25428 3691 1 10 . 1 1 53 53 ALA N N 53 123.490 123.490 122.341 1.149 25428 3692 1 10 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.939 0.081 25428 3693 1 10 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.983 -2.545 25428 3694 1 10 . 1 1 53 53 ALA CB C 53 15.446 15.446 18.228 -2.782 25428 3695 1 10 . 1 1 54 54 VAL N N 54 119.648 119.648 118.370 1.278 25428 3696 1 10 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.344 -0.266 25428 3697 1 10 . 1 1 54 54 VAL CA C 54 62.949 62.949 65.853 -2.904 25428 3698 1 10 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.233 -1.876 25428 3699 1 10 . 1 1 55 55 LEU N N 55 118.185 118.185 119.728 -1.543 25428 3700 1 10 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.862 -0.021 25428 3701 1 10 . 1 1 55 55 LEU C C 55 175.988 175.988 178.849 -2.861 25428 3702 1 10 . 1 1 55 55 LEU CA C 55 54.655 54.655 58.225 -3.570 25428 3703 1 10 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.200 -2.350 25428 3704 1 10 . 1 1 56 56 GLN N N 56 120.271 120.271 118.797 1.474 25428 3705 1 10 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.851 -0.096 25428 3706 1 10 . 1 1 56 56 GLN C C 56 174.357 174.357 178.307 -3.950 25428 3707 1 10 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.439 -3.720 25428 3708 1 10 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.472 -3.255 25428 3709 1 10 . 1 1 57 57 GLN N N 57 117.610 117.610 118.861 -1.251 25428 3710 1 10 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.139 -0.144 25428 3711 1 10 . 1 1 57 57 GLN C C 57 177.125 177.125 178.333 -1.208 25428 3712 1 10 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.696 -2.636 25428 3713 1 10 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.811 -3.663 25428 3714 1 10 . 1 1 58 58 PHE N N 58 120.365 120.365 121.882 -1.517 25428 3715 1 10 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.280 -0.080 25428 3716 1 10 . 1 1 58 58 PHE C C 58 172.960 172.960 177.396 -4.436 25428 3717 1 10 . 1 1 58 58 PHE CA C 58 58.622 58.622 61.088 -2.466 25428 3718 1 10 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.009 -1.700 25428 3719 1 10 . 1 1 59 59 LYS N N 59 117.757 117.757 118.954 -1.197 25428 3720 1 10 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.659 -0.032 25428 3721 1 10 . 1 1 59 59 LYS C C 59 174.015 174.015 179.214 -5.199 25428 3722 1 10 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.218 -1.991 25428 3723 1 10 . 1 1 59 59 LYS CB C 59 29.478 29.478 31.959 -2.482 25428 3724 1 10 . 1 1 60 60 ASP N N 60 116.580 116.580 120.025 -3.445 25428 3725 1 10 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.622 0.008 25428 3726 1 10 . 1 1 60 60 ASP C C 60 174.154 174.154 175.236 -1.082 25428 3727 1 10 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.791 -3.037 25428 3728 1 10 . 1 1 60 60 ASP CB C 60 38.013 38.013 40.447 -2.434 25428 3729 1 10 . 1 1 61 61 SER N N 61 117.142 117.142 114.088 3.054 25428 3730 1 10 . 1 1 61 61 SER HA H 61 4.383 4.383 4.631 -0.248 25428 3731 1 10 . 1 1 61 61 SER C C 61 169.538 169.538 172.453 -2.915 25428 3732 1 10 . 1 1 61 61 SER CA C 61 56.682 56.682 57.241 -0.559 25428 3733 1 10 . 1 1 61 61 SER CB C 61 61.698 61.698 66.035 -4.337 25428 3734 1 10 . 1 1 62 62 ASP N N 62 120.580 120.580 123.070 -2.490 25428 3735 1 10 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.710 -0.160 25428 3736 1 10 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.280 -3.014 25428 3737 1 10 . 1 1 62 62 ASP CB C 62 36.179 36.179 38.957 -2.778 25428 3738 1 10 . 1 1 63 63 LEU N N 63 126.269 126.269 122.372 3.897 25428 3739 1 10 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.013 -0.202 25428 3740 1 10 . 1 1 63 63 LEU CA C 63 51.921 51.921 55.298 -3.377 25428 3741 1 10 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.596 -2.592 25428 3742 1 10 . 1 1 64 64 SER N N 64 116.388 116.388 114.783 1.605 25428 3743 1 10 . 1 1 64 64 SER HA H 64 3.862 3.862 4.139 -0.277 25428 3744 1 10 . 1 1 64 64 SER C C 64 172.812 172.812 175.286 -2.474 25428 3745 1 10 . 1 1 64 64 SER CA C 64 58.914 58.914 60.607 -1.693 25428 3746 1 10 . 1 1 64 64 SER CB C 64 59.851 59.851 62.987 -3.136 25428 3747 1 10 . 1 1 65 65 HIS N N 65 117.601 117.601 119.319 -1.718 25428 3748 1 10 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.695 0.018 25428 3749 1 10 . 1 1 65 65 HIS C C 65 171.008 171.008 173.801 -2.793 25428 3750 1 10 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.493 -3.257 25428 3751 1 10 . 1 1 65 65 HIS CB C 65 25.765 25.765 29.055 -3.290 25428 3752 1 10 . 1 1 66 66 VAL N N 66 121.466 121.466 121.984 -0.518 25428 3753 1 10 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.407 -0.550 25428 3754 1 10 . 1 1 66 66 VAL C C 66 172.336 172.336 176.244 -3.908 25428 3755 1 10 . 1 1 66 66 VAL CA C 66 59.147 59.147 60.664 -1.517 25428 3756 1 10 . 1 1 66 66 VAL CB C 66 29.577 29.577 33.790 -4.213 25428 3757 1 10 . 1 1 67 67 GLN N N 67 127.282 127.282 124.965 2.317 25428 3758 1 10 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.139 0.010 25428 3759 1 10 . 1 1 67 67 GLN CA C 67 55.100 55.100 57.963 -2.863 25428 3760 1 10 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.870 -2.555 25428 3761 1 10 . 1 1 68 68 ASN N N 68 117.044 117.044 116.689 0.355 25428 3762 1 10 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.924 0.011 25428 3763 1 10 . 1 1 68 68 ASN CA C 68 48.730 48.730 51.611 -2.881 25428 3764 1 10 . 1 1 68 68 ASN CB C 68 35.131 35.131 37.034 -1.903 25428 3765 1 10 . 1 1 69 69 LYS N N 69 125.145 125.145 122.360 2.785 25428 3766 1 10 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.055 -0.122 25428 3767 1 10 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.438 -1.833 25428 3768 1 10 . 1 1 69 69 LYS CB C 69 30.295 30.295 31.790 -1.494 25428 3769 1 10 . 1 1 70 70 SER N N 70 116.020 116.020 114.838 1.182 25428 3770 1 10 . 1 1 70 70 SER HA H 70 4.220 4.220 4.256 -0.036 25428 3771 1 10 . 1 1 70 70 SER CA C 70 59.898 59.898 61.808 -1.910 25428 3772 1 10 . 1 1 70 70 SER CB C 70 59.848 59.848 62.502 -2.654 25428 3773 1 10 . 1 1 71 71 ALA N N 71 123.444 123.444 125.118 -1.674 25428 3774 1 10 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.136 -0.162 25428 3775 1 10 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.700 -2.830 25428 3776 1 10 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.158 -3.091 25428 3777 1 10 . 1 1 72 72 PHE N N 72 120.178 120.178 120.227 -0.049 25428 3778 1 10 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.218 -0.076 25428 3779 1 10 . 1 1 72 72 PHE C C 72 175.653 175.653 177.053 -1.400 25428 3780 1 10 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.671 -2.754 25428 3781 1 10 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.371 -2.017 25428 3782 1 10 . 1 1 73 73 LEU N N 73 121.921 121.921 121.172 0.749 25428 3783 1 10 . 1 1 73 73 LEU HA H 73 3.753 3.753 4.016 -0.263 25428 3784 1 10 . 1 1 73 73 LEU C C 73 175.921 175.921 178.427 -2.506 25428 3785 1 10 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.489 -2.805 25428 3786 1 10 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.192 -3.768 25428 3787 1 10 . 1 1 74 74 CYS N N 74 116.964 116.964 118.703 -1.739 25428 3788 1 10 . 1 1 74 74 CYS HA H 74 4.112 4.112 3.979 0.133 25428 3789 1 10 . 1 1 74 74 CYS C C 74 174.901 174.901 176.570 -1.669 25428 3790 1 10 . 1 1 74 74 CYS CA C 74 61.104 61.104 63.979 -2.875 25428 3791 1 10 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.987 -3.355 25428 3792 1 10 . 1 1 75 75 GLY N N 75 110.524 110.524 108.113 2.411 25428 3793 1 10 . 1 1 75 75 GLY C C 75 173.633 173.633 175.995 -2.362 25428 3794 1 10 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.365 -2.980 25428 3795 1 10 . 1 1 76 76 VAL N N 76 124.398 124.398 122.896 1.502 25428 3796 1 10 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.671 -0.160 25428 3797 1 10 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.356 -2.965 25428 3798 1 10 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.259 -2.760 25428 3799 1 10 . 1 1 77 77 MET N N 77 118.057 118.057 118.996 -0.939 25428 3800 1 10 . 1 1 77 77 MET HA H 77 3.755 3.755 4.159 -0.404 25428 3801 1 10 . 1 1 77 77 MET CA C 77 57.770 57.770 59.929 -2.159 25428 3802 1 10 . 1 1 77 77 MET CB C 77 31.029 31.029 32.231 -1.202 25428 3803 1 10 . 1 1 78 78 LYS N N 78 118.765 118.765 119.569 -0.804 25428 3804 1 10 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.007 -0.040 25428 3805 1 10 . 1 1 78 78 LYS CA C 78 57.157 57.157 59.863 -2.706 25428 3806 1 10 . 1 1 78 78 LYS CB C 78 29.592 29.592 31.945 -2.353 25428 3807 1 10 . 1 1 79 79 THR N N 79 114.076 114.076 116.380 -2.304 25428 3808 1 10 . 1 1 79 79 THR HA H 79 3.893 3.893 4.199 -0.306 25428 3809 1 10 . 1 1 79 79 THR CA C 79 62.715 62.715 66.224 -3.509 25428 3810 1 10 . 1 1 79 79 THR CB C 79 65.978 65.978 68.659 -2.681 25428 3811 1 10 . 1 1 80 80 TYR N N 80 123.194 123.194 121.914 1.280 25428 3812 1 10 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.301 -0.283 25428 3813 1 10 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.450 -2.618 25428 3814 1 10 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.179 -2.020 25428 3815 1 10 . 1 1 81 81 ARG N N 81 118.541 118.541 117.217 1.324 25428 3816 1 10 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.367 -0.310 25428 3817 1 10 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.332 -2.143 25428 3818 1 10 . 1 1 81 81 ARG CB C 81 27.670 27.670 31.134 -3.464 25428 3819 1 10 . 1 1 82 82 GLN N N 82 117.664 117.664 118.786 -1.122 25428 3820 1 10 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.557 -0.446 25428 3821 1 10 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.474 -1.594 25428 3822 1 10 . 1 1 82 82 GLN CB C 82 25.988 25.988 30.479 -4.491 25428 3823 1 10 . 1 1 83 83 ARG N N 83 119.552 119.552 121.186 -1.634 25428 3824 1 10 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.657 -0.542 25428 3825 1 10 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.587 -1.698 25428 3826 1 10 . 1 1 83 83 ARG CB C 83 27.811 27.811 29.581 -1.770 25428 3827 1 10 . 1 1 84 84 GLU N N 84 121.362 121.362 120.764 0.598 25428 3828 1 10 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.525 -0.392 25428 3829 1 10 . 1 1 84 84 GLU CA C 84 53.838 53.838 55.506 -1.668 25428 3830 1 10 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.641 -3.196 25428 3831 1 11 . 1 1 2 2 SER N N 2 119.046 119.046 115.267 3.779 25428 3832 1 11 . 1 1 2 2 SER HA H 2 4.509 4.509 4.840 -0.331 25428 3833 1 11 . 1 1 2 2 SER C C 2 172.827 172.827 175.699 -2.872 25428 3834 1 11 . 1 1 2 2 SER CA C 2 55.872 55.872 56.605 -0.733 25428 3835 1 11 . 1 1 2 2 SER CB C 2 61.645 61.645 64.479 -2.834 25428 3836 1 11 . 1 1 3 3 GLU N N 3 121.401 121.401 120.816 0.585 25428 3837 1 11 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.154 0.018 25428 3838 1 11 . 1 1 3 3 GLU C C 3 174.375 174.375 178.356 -3.981 25428 3839 1 11 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.125 -3.480 25428 3840 1 11 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.393 -3.130 25428 3841 1 11 . 1 1 4 4 ASN N N 4 117.467 117.467 118.854 -1.387 25428 3842 1 11 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.411 0.128 25428 3843 1 11 . 1 1 4 4 ASN C C 4 172.792 172.792 176.997 -4.205 25428 3844 1 11 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.601 -4.033 25428 3845 1 11 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.052 -1.424 25428 3846 1 11 . 1 1 5 5 PHE N N 5 121.588 121.588 121.881 -0.293 25428 3847 1 11 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.127 -0.148 25428 3848 1 11 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.662 -2.983 25428 3849 1 11 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.791 -2.566 25428 3850 1 11 . 1 1 6 6 GLN N N 6 117.868 117.868 117.123 0.745 25428 3851 1 11 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.866 -0.388 25428 3852 1 11 . 1 1 6 6 GLN C C 6 174.670 174.670 178.275 -3.605 25428 3853 1 11 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.757 -3.456 25428 3854 1 11 . 1 1 6 6 GLN CB C 6 25.257 25.257 28.038 -2.781 25428 3855 1 11 . 1 1 7 7 THR N N 7 114.124 114.124 116.924 -2.800 25428 3856 1 11 . 1 1 7 7 THR HA H 7 3.862 3.862 3.932 -0.070 25428 3857 1 11 . 1 1 7 7 THR C C 7 173.949 173.949 176.594 -2.645 25428 3858 1 11 . 1 1 7 7 THR CA C 7 62.909 62.909 65.626 -2.717 25428 3859 1 11 . 1 1 7 7 THR CB C 7 65.814 65.814 68.543 -2.729 25428 3860 1 11 . 1 1 8 8 LEU N N 8 121.809 121.809 122.146 -0.337 25428 3861 1 11 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.072 -0.179 25428 3862 1 11 . 1 1 8 8 LEU C C 8 175.915 175.915 178.316 -2.401 25428 3863 1 11 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.660 -3.048 25428 3864 1 11 . 1 1 8 8 LEU CB C 8 39.027 39.027 40.790 -1.763 25428 3865 1 11 . 1 1 9 9 LEU N N 9 119.407 119.407 116.279 3.128 25428 3866 1 11 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.058 -0.059 25428 3867 1 11 . 1 1 9 9 LEU C C 9 179.642 179.642 178.705 0.937 25428 3868 1 11 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.395 -2.002 25428 3869 1 11 . 1 1 9 9 LEU CB C 9 38.343 38.343 40.666 -2.323 25428 3870 1 11 . 1 1 10 10 ASP N N 10 122.019 122.019 118.710 3.309 25428 3871 1 11 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.575 -0.346 25428 3872 1 11 . 1 1 10 10 ASP C C 10 174.743 174.743 177.915 -3.172 25428 3873 1 11 . 1 1 10 10 ASP CA C 10 53.829 53.829 56.043 -2.214 25428 3874 1 11 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.561 -4.596 25428 3875 1 11 . 1 1 11 11 ALA N N 11 121.088 121.088 121.431 -0.343 25428 3876 1 11 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.333 -0.125 25428 3877 1 11 . 1 1 11 11 ALA C C 11 174.553 174.553 177.675 -3.122 25428 3878 1 11 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.398 -2.716 25428 3879 1 11 . 1 1 11 11 ALA CB C 11 15.391 15.391 17.617 -2.226 25428 3880 1 11 . 1 1 12 12 GLY N N 12 104.096 104.096 105.689 -1.593 25428 3881 1 11 . 1 1 12 12 GLY C C 12 172.183 172.183 173.737 -1.554 25428 3882 1 11 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.950 -2.800 25428 3883 1 11 . 1 1 13 13 LEU N N 13 120.523 120.523 119.815 0.708 25428 3884 1 11 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.827 -0.462 25428 3885 1 11 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.533 -1.380 25428 3886 1 11 . 1 1 13 13 LEU CB C 13 38.486 38.486 43.142 -4.656 25428 3887 1 11 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.640 -0.289 25428 3888 1 11 . 1 1 14 14 PRO C C 14 174.611 174.611 177.105 -2.494 25428 3889 1 11 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.196 -2.468 25428 3890 1 11 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.875 -3.072 25428 3891 1 11 . 1 1 15 15 GLN N N 15 124.429 124.429 120.103 4.326 25428 3892 1 11 . 1 1 15 15 GLN HA H 15 3.689 3.689 4.010 -0.321 25428 3893 1 11 . 1 1 15 15 GLN C C 15 174.848 174.848 177.771 -2.923 25428 3894 1 11 . 1 1 15 15 GLN CA C 15 57.850 57.850 59.862 -2.012 25428 3895 1 11 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.706 -3.373 25428 3896 1 11 . 1 1 16 16 LYS N N 16 115.638 115.638 118.724 -3.086 25428 3897 1 11 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.123 -0.101 25428 3898 1 11 . 1 1 16 16 LYS C C 16 176.800 176.800 178.946 -2.146 25428 3899 1 11 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.562 -2.938 25428 3900 1 11 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.504 -1.667 25428 3901 1 11 . 1 1 17 17 VAL N N 17 118.513 118.513 118.275 0.238 25428 3902 1 11 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.786 -0.396 25428 3903 1 11 . 1 1 17 17 VAL C C 17 173.946 173.946 177.849 -3.903 25428 3904 1 11 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.611 -2.800 25428 3905 1 11 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.221 -2.133 25428 3906 1 11 . 1 1 18 18 ALA N N 18 121.811 121.811 122.365 -0.554 25428 3907 1 11 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.959 -0.226 25428 3908 1 11 . 1 1 18 18 ALA C C 18 176.571 176.571 179.932 -3.361 25428 3909 1 11 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.559 -3.040 25428 3910 1 11 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.998 -2.382 25428 3911 1 11 . 1 1 19 19 GLU N N 19 116.183 116.183 117.966 -1.783 25428 3912 1 11 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.064 -0.151 25428 3913 1 11 . 1 1 19 19 GLU C C 19 176.184 176.184 179.435 -3.251 25428 3914 1 11 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.981 -3.149 25428 3915 1 11 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.531 -2.417 25428 3916 1 11 . 1 1 20 20 LYS N N 20 120.202 120.202 118.133 2.069 25428 3917 1 11 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.162 -0.099 25428 3918 1 11 . 1 1 20 20 LYS C C 20 175.707 175.707 179.004 -3.297 25428 3919 1 11 . 1 1 20 20 LYS CA C 20 54.340 54.340 58.158 -3.818 25428 3920 1 11 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.104 -4.952 25428 3921 1 11 . 1 1 21 21 LEU N N 21 120.188 120.188 120.783 -0.595 25428 3922 1 11 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.038 -0.134 25428 3923 1 11 . 1 1 21 21 LEU C C 21 175.138 175.138 178.593 -3.455 25428 3924 1 11 . 1 1 21 21 LEU CA C 21 54.762 54.762 57.172 -2.410 25428 3925 1 11 . 1 1 21 21 LEU CB C 21 38.389 38.389 41.870 -3.481 25428 3926 1 11 . 1 1 22 22 ASP N N 22 118.729 118.729 120.225 -1.496 25428 3927 1 11 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.530 -0.105 25428 3928 1 11 . 1 1 22 22 ASP C C 22 175.147 175.147 178.621 -3.474 25428 3929 1 11 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.667 -2.391 25428 3930 1 11 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.955 -1.652 25428 3931 1 11 . 1 1 23 23 GLU N N 23 117.201 117.201 119.318 -2.117 25428 3932 1 11 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.022 -0.133 25428 3933 1 11 . 1 1 23 23 GLU C C 23 177.140 177.140 179.096 -1.956 25428 3934 1 11 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.257 -2.508 25428 3935 1 11 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.459 -2.418 25428 3936 1 11 . 1 1 24 24 ILE N N 24 121.465 121.465 118.824 2.641 25428 3937 1 11 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.598 0.009 25428 3938 1 11 . 1 1 24 24 ILE C C 24 174.918 174.918 177.750 -2.832 25428 3939 1 11 . 1 1 24 24 ILE CA C 24 63.184 63.184 64.431 -1.247 25428 3940 1 11 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.659 -2.692 25428 3941 1 11 . 1 1 25 25 TYR N N 25 120.955 120.955 114.696 6.259 25428 3942 1 11 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.898 -0.086 25428 3943 1 11 . 1 1 25 25 TYR C C 25 179.018 179.018 177.212 1.806 25428 3944 1 11 . 1 1 25 25 TYR CA C 25 56.172 56.172 57.865 -1.693 25428 3945 1 11 . 1 1 25 25 TYR CB C 25 34.419 34.419 37.484 -3.065 25428 3946 1 11 . 1 1 26 26 VAL N N 26 123.429 123.429 118.117 5.312 25428 3947 1 11 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.863 -0.272 25428 3948 1 11 . 1 1 26 26 VAL C C 26 175.383 175.383 176.878 -1.495 25428 3949 1 11 . 1 1 26 26 VAL CA C 26 63.501 63.501 64.076 -0.575 25428 3950 1 11 . 1 1 26 26 VAL CB C 26 28.993 28.993 32.278 -3.285 25428 3951 1 11 . 1 1 27 27 ALA N N 27 120.082 120.082 120.271 -0.189 25428 3952 1 11 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.242 -0.037 25428 3953 1 11 . 1 1 27 27 ALA C C 27 175.640 175.640 178.014 -2.374 25428 3954 1 11 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.954 -2.684 25428 3955 1 11 . 1 1 27 27 ALA CB C 27 15.992 15.992 19.037 -3.045 25428 3956 1 11 . 1 1 28 28 GLY N N 28 105.543 105.543 106.103 -0.560 25428 3957 1 11 . 1 1 28 28 GLY C C 28 172.315 172.315 175.710 -3.395 25428 3958 1 11 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.325 -2.786 25428 3959 1 11 . 1 1 29 29 LEU N N 29 119.155 119.155 120.629 -1.474 25428 3960 1 11 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.008 -0.003 25428 3961 1 11 . 1 1 29 29 LEU C C 29 173.807 173.807 176.793 -2.986 25428 3962 1 11 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.723 -2.643 25428 3963 1 11 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.180 -2.394 25428 3964 1 11 . 1 1 30 30 VAL N N 30 109.334 109.334 108.724 0.610 25428 3965 1 11 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.519 -0.303 25428 3966 1 11 . 1 1 30 30 VAL C C 30 170.244 170.244 174.838 -4.594 25428 3967 1 11 . 1 1 30 30 VAL CA C 30 56.444 56.444 58.722 -2.278 25428 3968 1 11 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.082 -1.717 25428 3969 1 11 . 1 1 31 31 ALA N N 31 126.238 126.238 122.853 3.385 25428 3970 1 11 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.628 -0.069 25428 3971 1 11 . 1 1 31 31 ALA C C 31 176.016 176.016 178.811 -2.795 25428 3972 1 11 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.978 -3.508 25428 3973 1 11 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.374 -2.334 25428 3974 1 11 . 1 1 32 32 HIS N N 32 120.680 120.680 119.349 1.331 25428 3975 1 11 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.197 0.793 25428 3976 1 11 . 1 1 32 32 HIS C C 32 174.379 174.379 176.019 -1.640 25428 3977 1 11 . 1 1 32 32 HIS CA C 32 56.668 56.668 57.359 -0.691 25428 3978 1 11 . 1 1 32 32 HIS CB C 32 26.452 26.452 28.964 -2.512 25428 3979 1 11 . 1 1 33 33 SER N N 33 109.997 109.997 112.673 -2.676 25428 3980 1 11 . 1 1 33 33 SER HA H 33 4.125 4.125 4.423 -0.298 25428 3981 1 11 . 1 1 33 33 SER C C 33 172.444 172.444 174.521 -2.077 25428 3982 1 11 . 1 1 33 33 SER CA C 33 56.158 56.158 58.332 -2.174 25428 3983 1 11 . 1 1 33 33 SER CB C 33 60.045 60.045 63.211 -3.166 25428 3984 1 11 . 1 1 34 34 ASP N N 34 119.785 119.785 121.501 -1.716 25428 3985 1 11 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.593 -0.073 25428 3986 1 11 . 1 1 34 34 ASP CA C 34 53.516 53.516 54.982 -1.466 25428 3987 1 11 . 1 1 34 34 ASP CB C 34 39.490 39.490 40.864 -1.374 25428 3988 1 11 . 1 1 35 35 LEU N N 35 118.248 118.248 116.363 1.885 25428 3989 1 11 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.645 -0.192 25428 3990 1 11 . 1 1 35 35 LEU CA C 35 50.364 50.364 53.264 -2.900 25428 3991 1 11 . 1 1 35 35 LEU CB C 35 38.642 38.642 44.715 -6.073 25428 3992 1 11 . 1 1 36 36 ASP N N 36 122.922 122.922 118.202 4.720 25428 3993 1 11 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.842 -0.417 25428 3994 1 11 . 1 1 36 36 ASP C C 36 173.050 173.050 176.565 -3.515 25428 3995 1 11 . 1 1 36 36 ASP CA C 36 49.746 49.746 53.069 -3.323 25428 3996 1 11 . 1 1 36 36 ASP CB C 36 39.169 39.169 43.600 -4.431 25428 3997 1 11 . 1 1 37 37 GLU N N 37 119.277 119.277 121.551 -2.274 25428 3998 1 11 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.090 -0.264 25428 3999 1 11 . 1 1 37 37 GLU C C 37 175.878 175.878 178.201 -2.323 25428 4000 1 11 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.762 -2.838 25428 4001 1 11 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.729 -3.318 25428 4002 1 11 . 1 1 38 38 ARG N N 38 117.965 117.965 117.869 0.096 25428 4003 1 11 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.004 -0.072 25428 4004 1 11 . 1 1 38 38 ARG C C 38 176.285 176.285 178.620 -2.335 25428 4005 1 11 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.968 -3.162 25428 4006 1 11 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.805 1.161 25428 4007 1 11 . 1 1 39 39 ALA N N 39 123.247 123.247 123.455 -0.208 25428 4008 1 11 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.269 -0.391 25428 4009 1 11 . 1 1 39 39 ALA C C 39 175.872 175.872 179.529 -3.657 25428 4010 1 11 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.609 -2.367 25428 4011 1 11 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.957 -3.766 25428 4012 1 11 . 1 1 40 40 ILE N N 40 116.462 116.462 119.557 -3.095 25428 4013 1 11 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.669 -0.225 25428 4014 1 11 . 1 1 40 40 ILE C C 40 175.056 175.056 178.234 -3.178 25428 4015 1 11 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.824 -2.976 25428 4016 1 11 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.352 -2.731 25428 4017 1 11 . 1 1 41 41 GLU N N 41 117.817 117.817 119.693 -1.876 25428 4018 1 11 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.977 -0.192 25428 4019 1 11 . 1 1 41 41 GLU C C 41 176.503 176.503 178.717 -2.214 25428 4020 1 11 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.417 -3.006 25428 4021 1 11 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.345 -2.985 25428 4022 1 11 . 1 1 42 42 ALA N N 42 120.852 120.852 121.823 -0.971 25428 4023 1 11 . 1 1 42 42 ALA HA H 42 4.068 4.068 3.979 0.089 25428 4024 1 11 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.466 -2.489 25428 4025 1 11 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.355 -3.026 25428 4026 1 11 . 1 1 43 43 LEU N N 43 120.443 120.443 118.638 1.805 25428 4027 1 11 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.268 -0.129 25428 4028 1 11 . 1 1 43 43 LEU C C 43 176.351 176.351 179.278 -2.927 25428 4029 1 11 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.362 -2.509 25428 4030 1 11 . 1 1 43 43 LEU CB C 43 39.586 39.586 42.223 -2.637 25428 4031 1 11 . 1 1 44 44 LYS N N 44 116.644 116.644 118.140 -1.496 25428 4032 1 11 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.095 -0.070 25428 4033 1 11 . 1 1 44 44 LYS C C 44 174.406 174.406 179.360 -4.954 25428 4034 1 11 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.332 -2.901 25428 4035 1 11 . 1 1 44 44 LYS CB C 44 29.673 29.673 31.736 -2.063 25428 4036 1 11 . 1 1 45 45 GLU N N 45 115.882 115.882 118.563 -2.681 25428 4037 1 11 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.120 -0.106 25428 4038 1 11 . 1 1 45 45 GLU C C 45 174.383 174.383 175.548 -1.165 25428 4039 1 11 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.568 -2.287 25428 4040 1 11 . 1 1 45 45 GLU CB C 45 26.997 26.997 28.777 -1.780 25428 4041 1 11 . 1 1 46 46 PHE N N 46 118.293 118.293 117.956 0.337 25428 4042 1 11 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.648 -0.300 25428 4043 1 11 . 1 1 46 46 PHE C C 46 173.933 173.933 175.956 -2.023 25428 4044 1 11 . 1 1 46 46 PHE CA C 46 55.339 55.339 57.224 -1.885 25428 4045 1 11 . 1 1 46 46 PHE CB C 46 38.417 38.417 40.352 -1.935 25428 4046 1 11 . 1 1 47 47 ASN N N 47 117.552 117.552 121.492 -3.940 25428 4047 1 11 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.671 -0.064 25428 4048 1 11 . 1 1 47 47 ASN C C 47 172.500 172.500 176.654 -4.154 25428 4049 1 11 . 1 1 47 47 ASN CA C 47 49.660 49.660 53.840 -4.180 25428 4050 1 11 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.614 -4.428 25428 4051 1 11 . 1 1 48 48 GLU N N 48 121.194 121.194 120.413 0.781 25428 4052 1 11 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.910 -0.232 25428 4053 1 11 . 1 1 48 48 GLU C C 48 174.313 174.313 178.399 -4.086 25428 4054 1 11 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.402 -2.016 25428 4055 1 11 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.721 -2.127 25428 4056 1 11 . 1 1 49 49 ASP N N 49 115.316 115.316 117.727 -2.411 25428 4057 1 11 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.519 -0.296 25428 4058 1 11 . 1 1 49 49 ASP C C 49 176.778 176.778 178.204 -1.426 25428 4059 1 11 . 1 1 49 49 ASP CA C 49 54.688 54.688 57.285 -2.597 25428 4060 1 11 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.176 -2.735 25428 4061 1 11 . 1 1 50 50 GLY N N 50 109.745 109.745 108.468 1.277 25428 4062 1 11 . 1 1 50 50 GLY C C 50 171.469 171.469 175.466 -3.997 25428 4063 1 11 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.883 -2.542 25428 4064 1 11 . 1 1 51 51 ALA N N 51 123.698 123.698 124.114 -0.416 25428 4065 1 11 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.667 -0.300 25428 4066 1 11 . 1 1 51 51 ALA C C 51 177.022 177.022 179.374 -2.352 25428 4067 1 11 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.713 -2.550 25428 4068 1 11 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.731 -1.921 25428 4069 1 11 . 1 1 52 52 LEU N N 52 115.728 115.728 119.355 -3.627 25428 4070 1 11 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.925 -0.137 25428 4071 1 11 . 1 1 52 52 LEU C C 52 176.760 176.760 178.942 -2.182 25428 4072 1 11 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.187 -1.926 25428 4073 1 11 . 1 1 52 52 LEU CB C 52 38.006 38.006 40.689 -2.683 25428 4074 1 11 . 1 1 53 53 ALA N N 53 123.490 123.490 122.105 1.385 25428 4075 1 11 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.816 0.204 25428 4076 1 11 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.866 -2.428 25428 4077 1 11 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.876 -2.430 25428 4078 1 11 . 1 1 54 54 VAL N N 54 119.648 119.648 117.184 2.464 25428 4079 1 11 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.284 -0.206 25428 4080 1 11 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.421 -3.472 25428 4081 1 11 . 1 1 54 54 VAL CB C 54 28.357 28.357 31.236 -2.879 25428 4082 1 11 . 1 1 55 55 LEU N N 55 118.185 118.185 117.899 0.286 25428 4083 1 11 . 1 1 55 55 LEU HA H 55 3.841 3.841 4.127 -0.286 25428 4084 1 11 . 1 1 55 55 LEU C C 55 175.988 175.988 179.122 -3.134 25428 4085 1 11 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.624 -2.969 25428 4086 1 11 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.576 -2.726 25428 4087 1 11 . 1 1 56 56 GLN N N 56 120.271 120.271 117.971 2.300 25428 4088 1 11 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.952 -0.197 25428 4089 1 11 . 1 1 56 56 GLN C C 56 174.357 174.357 178.591 -4.234 25428 4090 1 11 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.409 -3.690 25428 4091 1 11 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.665 -3.448 25428 4092 1 11 . 1 1 57 57 GLN N N 57 117.610 117.610 118.319 -0.709 25428 4093 1 11 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.204 -0.209 25428 4094 1 11 . 1 1 57 57 GLN C C 57 177.125 177.125 177.644 -0.519 25428 4095 1 11 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.514 -2.454 25428 4096 1 11 . 1 1 57 57 GLN CB C 57 25.148 25.148 29.025 -3.877 25428 4097 1 11 . 1 1 58 58 PHE N N 58 120.365 120.365 118.695 1.670 25428 4098 1 11 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.610 -0.410 25428 4099 1 11 . 1 1 58 58 PHE C C 58 172.960 172.960 176.504 -3.544 25428 4100 1 11 . 1 1 58 58 PHE CA C 58 58.622 58.622 59.236 -0.614 25428 4101 1 11 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.365 -2.056 25428 4102 1 11 . 1 1 59 59 LYS N N 59 117.757 117.757 117.855 -0.098 25428 4103 1 11 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.836 -0.209 25428 4104 1 11 . 1 1 59 59 LYS C C 59 174.015 174.015 178.021 -4.006 25428 4105 1 11 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.086 -1.859 25428 4106 1 11 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.714 -3.236 25428 4107 1 11 . 1 1 60 60 ASP N N 60 116.580 116.580 122.119 -5.539 25428 4108 1 11 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.668 -0.038 25428 4109 1 11 . 1 1 60 60 ASP C C 60 174.154 174.154 175.180 -1.026 25428 4110 1 11 . 1 1 60 60 ASP CA C 60 51.754 51.754 55.008 -3.254 25428 4111 1 11 . 1 1 60 60 ASP CB C 60 38.013 38.013 39.069 -1.056 25428 4112 1 11 . 1 1 61 61 SER N N 61 117.142 117.142 114.300 2.842 25428 4113 1 11 . 1 1 61 61 SER HA H 61 4.383 4.383 4.593 -0.210 25428 4114 1 11 . 1 1 61 61 SER C C 61 169.538 169.538 173.034 -3.496 25428 4115 1 11 . 1 1 61 61 SER CA C 61 56.682 56.682 57.548 -0.866 25428 4116 1 11 . 1 1 61 61 SER CB C 61 61.698 61.698 66.239 -4.541 25428 4117 1 11 . 1 1 62 62 ASP N N 62 120.580 120.580 124.130 -3.550 25428 4118 1 11 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.717 -0.167 25428 4119 1 11 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.349 -3.083 25428 4120 1 11 . 1 1 62 62 ASP CB C 62 36.179 36.179 39.776 -3.597 25428 4121 1 11 . 1 1 63 63 LEU N N 63 126.269 126.269 122.731 3.538 25428 4122 1 11 . 1 1 63 63 LEU HA H 63 3.811 3.811 3.993 -0.182 25428 4123 1 11 . 1 1 63 63 LEU CA C 63 51.921 51.921 55.695 -3.774 25428 4124 1 11 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.828 -2.825 25428 4125 1 11 . 1 1 64 64 SER N N 64 116.388 116.388 115.030 1.358 25428 4126 1 11 . 1 1 64 64 SER HA H 64 3.862 3.862 4.029 -0.167 25428 4127 1 11 . 1 1 64 64 SER C C 64 172.812 172.812 175.163 -2.351 25428 4128 1 11 . 1 1 64 64 SER CA C 64 58.914 58.914 60.630 -1.716 25428 4129 1 11 . 1 1 64 64 SER CB C 64 59.851 59.851 62.836 -2.985 25428 4130 1 11 . 1 1 65 65 HIS N N 65 117.601 117.601 117.770 -0.169 25428 4131 1 11 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.672 0.041 25428 4132 1 11 . 1 1 65 65 HIS C C 65 171.008 171.008 174.577 -3.569 25428 4133 1 11 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.634 -3.398 25428 4134 1 11 . 1 1 65 65 HIS CB C 65 25.765 25.765 29.988 -4.223 25428 4135 1 11 . 1 1 66 66 VAL N N 66 121.466 121.466 121.222 0.244 25428 4136 1 11 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.243 -0.386 25428 4137 1 11 . 1 1 66 66 VAL C C 66 172.336 172.336 176.345 -4.009 25428 4138 1 11 . 1 1 66 66 VAL CA C 66 59.147 59.147 61.376 -2.229 25428 4139 1 11 . 1 1 66 66 VAL CB C 66 29.577 29.577 33.191 -3.614 25428 4140 1 11 . 1 1 67 67 GLN N N 67 127.282 127.282 127.496 -0.214 25428 4141 1 11 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.106 0.043 25428 4142 1 11 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.811 -3.711 25428 4143 1 11 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.877 -2.562 25428 4144 1 11 . 1 1 68 68 ASN N N 68 117.044 117.044 117.612 -0.568 25428 4145 1 11 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.847 0.088 25428 4146 1 11 . 1 1 68 68 ASN CA C 68 48.730 48.730 52.060 -3.330 25428 4147 1 11 . 1 1 68 68 ASN CB C 68 35.131 35.131 37.547 -2.417 25428 4148 1 11 . 1 1 69 69 LYS N N 69 125.145 125.145 123.423 1.722 25428 4149 1 11 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.029 -0.096 25428 4150 1 11 . 1 1 69 69 LYS CA C 69 57.605 57.605 58.934 -1.329 25428 4151 1 11 . 1 1 69 69 LYS CB C 69 30.295 30.295 31.943 -1.648 25428 4152 1 11 . 1 1 70 70 SER N N 70 116.020 116.020 114.673 1.347 25428 4153 1 11 . 1 1 70 70 SER HA H 70 4.220 4.220 4.179 0.041 25428 4154 1 11 . 1 1 70 70 SER CA C 70 59.898 59.898 61.676 -1.778 25428 4155 1 11 . 1 1 70 70 SER CB C 70 59.848 59.848 62.431 -2.583 25428 4156 1 11 . 1 1 71 71 ALA N N 71 123.444 123.444 125.259 -1.815 25428 4157 1 11 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.061 -0.087 25428 4158 1 11 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.856 -2.986 25428 4159 1 11 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.274 -3.207 25428 4160 1 11 . 1 1 72 72 PHE N N 72 120.178 120.178 119.655 0.523 25428 4161 1 11 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.230 -0.088 25428 4162 1 11 . 1 1 72 72 PHE C C 72 175.653 175.653 176.996 -1.343 25428 4163 1 11 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.621 -2.704 25428 4164 1 11 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.573 -2.219 25428 4165 1 11 . 1 1 73 73 LEU N N 73 121.921 121.921 121.173 0.748 25428 4166 1 11 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.359 0.394 25428 4167 1 11 . 1 1 73 73 LEU C C 73 175.921 175.921 178.418 -2.497 25428 4168 1 11 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.238 -2.554 25428 4169 1 11 . 1 1 73 73 LEU CB C 73 37.424 37.424 40.947 -3.523 25428 4170 1 11 . 1 1 74 74 CYS N N 74 116.964 116.964 117.694 -0.730 25428 4171 1 11 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.091 0.021 25428 4172 1 11 . 1 1 74 74 CYS C C 74 174.901 174.901 177.057 -2.156 25428 4173 1 11 . 1 1 74 74 CYS CA C 74 61.104 61.104 62.047 -0.943 25428 4174 1 11 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.188 -2.556 25428 4175 1 11 . 1 1 75 75 GLY N N 75 110.524 110.524 108.408 2.116 25428 4176 1 11 . 1 1 75 75 GLY C C 75 173.633 173.633 176.090 -2.457 25428 4177 1 11 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.235 -2.850 25428 4178 1 11 . 1 1 76 76 VAL N N 76 124.398 124.398 123.931 0.467 25428 4179 1 11 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.466 0.045 25428 4180 1 11 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.017 -2.627 25428 4181 1 11 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.742 -3.243 25428 4182 1 11 . 1 1 77 77 MET N N 77 118.057 118.057 118.355 -0.298 25428 4183 1 11 . 1 1 77 77 MET HA H 77 3.755 3.755 4.080 -0.325 25428 4184 1 11 . 1 1 77 77 MET CA C 77 57.770 57.770 59.974 -2.204 25428 4185 1 11 . 1 1 77 77 MET CB C 77 31.029 31.029 32.145 -1.116 25428 4186 1 11 . 1 1 78 78 LYS N N 78 118.765 118.765 119.219 -0.454 25428 4187 1 11 . 1 1 78 78 LYS HA H 78 3.967 3.967 3.964 0.003 25428 4188 1 11 . 1 1 78 78 LYS CA C 78 57.157 57.157 60.055 -2.898 25428 4189 1 11 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.474 -2.882 25428 4190 1 11 . 1 1 79 79 THR N N 79 114.076 114.076 115.504 -1.428 25428 4191 1 11 . 1 1 79 79 THR HA H 79 3.893 3.893 4.036 -0.143 25428 4192 1 11 . 1 1 79 79 THR CA C 79 62.715 62.715 66.624 -3.909 25428 4193 1 11 . 1 1 79 79 THR CB C 79 65.978 65.978 68.614 -2.636 25428 4194 1 11 . 1 1 80 80 TYR N N 80 123.194 123.194 118.550 4.644 25428 4195 1 11 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.222 -0.204 25428 4196 1 11 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.114 -2.282 25428 4197 1 11 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.450 -2.291 25428 4198 1 11 . 1 1 81 81 ARG N N 81 118.541 118.541 118.634 -0.093 25428 4199 1 11 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.219 -0.163 25428 4200 1 11 . 1 1 81 81 ARG CA C 81 55.189 55.189 59.138 -3.949 25428 4201 1 11 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.677 -3.007 25428 4202 1 11 . 1 1 82 82 GLN N N 82 117.664 117.664 118.417 -0.753 25428 4203 1 11 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.445 -0.334 25428 4204 1 11 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.536 -1.656 25428 4205 1 11 . 1 1 82 82 GLN CB C 82 25.988 25.988 28.009 -2.021 25428 4206 1 11 . 1 1 83 83 ARG N N 83 119.552 119.552 122.512 -2.960 25428 4207 1 11 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.467 -0.352 25428 4208 1 11 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.657 -1.768 25428 4209 1 11 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.115 -2.304 25428 4210 1 11 . 1 1 84 84 GLU N N 84 121.362 121.362 123.604 -2.242 25428 4211 1 11 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.484 -0.351 25428 4212 1 11 . 1 1 84 84 GLU CA C 84 53.838 53.838 56.241 -2.403 25428 4213 1 11 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.124 -2.679 25428 4214 1 12 . 1 1 2 2 SER N N 2 119.046 119.046 115.536 3.510 25428 4215 1 12 . 1 1 2 2 SER HA H 2 4.509 4.509 4.834 -0.325 25428 4216 1 12 . 1 1 2 2 SER C C 2 172.827 172.827 175.489 -2.662 25428 4217 1 12 . 1 1 2 2 SER CA C 2 55.872 55.872 56.577 -0.705 25428 4218 1 12 . 1 1 2 2 SER CB C 2 61.645 61.645 65.542 -3.897 25428 4219 1 12 . 1 1 3 3 GLU N N 3 121.401 121.401 120.331 1.070 25428 4220 1 12 . 1 1 3 3 GLU HA H 3 4.172 4.172 3.975 0.197 25428 4221 1 12 . 1 1 3 3 GLU C C 3 174.375 174.375 178.432 -4.057 25428 4222 1 12 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.647 -4.002 25428 4223 1 12 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.141 -2.878 25428 4224 1 12 . 1 1 4 4 ASN N N 4 117.467 117.467 118.319 -0.852 25428 4225 1 12 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.424 0.115 25428 4226 1 12 . 1 1 4 4 ASN C C 4 172.792 172.792 177.080 -4.288 25428 4227 1 12 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.486 -3.917 25428 4228 1 12 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.001 -1.373 25428 4229 1 12 . 1 1 5 5 PHE N N 5 121.588 121.588 122.255 -0.667 25428 4230 1 12 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.144 -0.165 25428 4231 1 12 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.599 -2.920 25428 4232 1 12 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.673 -2.447 25428 4233 1 12 . 1 1 6 6 GLN N N 6 117.868 117.868 117.292 0.576 25428 4234 1 12 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.905 -0.427 25428 4235 1 12 . 1 1 6 6 GLN C C 6 174.670 174.670 178.475 -3.805 25428 4236 1 12 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.720 -3.419 25428 4237 1 12 . 1 1 6 6 GLN CB C 6 25.257 25.257 28.240 -2.983 25428 4238 1 12 . 1 1 7 7 THR N N 7 114.124 114.124 117.097 -2.973 25428 4239 1 12 . 1 1 7 7 THR HA H 7 3.862 3.862 3.916 -0.054 25428 4240 1 12 . 1 1 7 7 THR C C 7 173.949 173.949 176.779 -2.830 25428 4241 1 12 . 1 1 7 7 THR CA C 7 62.909 62.909 66.244 -3.335 25428 4242 1 12 . 1 1 7 7 THR CB C 7 65.814 65.814 68.615 -2.801 25428 4243 1 12 . 1 1 8 8 LEU N N 8 121.809 121.809 122.116 -0.307 25428 4244 1 12 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.113 -0.220 25428 4245 1 12 . 1 1 8 8 LEU C C 8 175.915 175.915 178.611 -2.696 25428 4246 1 12 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.407 -2.795 25428 4247 1 12 . 1 1 8 8 LEU CB C 8 39.027 39.027 40.979 -1.952 25428 4248 1 12 . 1 1 9 9 LEU N N 9 119.407 119.407 117.281 2.126 25428 4249 1 12 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.194 -0.195 25428 4250 1 12 . 1 1 9 9 LEU C C 9 179.642 179.642 179.112 0.530 25428 4251 1 12 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.899 -2.506 25428 4252 1 12 . 1 1 9 9 LEU CB C 9 38.343 38.343 40.707 -2.364 25428 4253 1 12 . 1 1 10 10 ASP N N 10 122.019 122.019 117.599 4.420 25428 4254 1 12 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.619 -0.390 25428 4255 1 12 . 1 1 10 10 ASP C C 10 174.743 174.743 176.474 -1.731 25428 4256 1 12 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.124 -1.295 25428 4257 1 12 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.310 -4.346 25428 4258 1 12 . 1 1 11 11 ALA N N 11 121.088 121.088 120.675 0.413 25428 4259 1 12 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.304 -0.096 25428 4260 1 12 . 1 1 11 11 ALA C C 11 174.553 174.553 177.772 -3.219 25428 4261 1 12 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.775 -3.093 25428 4262 1 12 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.906 -3.515 25428 4263 1 12 . 1 1 12 12 GLY N N 12 104.096 104.096 104.515 -0.419 25428 4264 1 12 . 1 1 12 12 GLY C C 12 172.183 172.183 174.427 -2.244 25428 4265 1 12 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.733 -2.583 25428 4266 1 12 . 1 1 13 13 LEU N N 13 120.523 120.523 121.773 -1.250 25428 4267 1 12 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.848 -0.483 25428 4268 1 12 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.960 -1.807 25428 4269 1 12 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.527 -4.041 25428 4270 1 12 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.552 -0.201 25428 4271 1 12 . 1 1 14 14 PRO C C 14 174.611 174.611 177.392 -2.781 25428 4272 1 12 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.367 -2.639 25428 4273 1 12 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.850 -3.047 25428 4274 1 12 . 1 1 15 15 GLN N N 15 124.429 124.429 121.886 2.543 25428 4275 1 12 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.919 -0.230 25428 4276 1 12 . 1 1 15 15 GLN C C 15 174.848 174.848 177.629 -2.781 25428 4277 1 12 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.425 -2.575 25428 4278 1 12 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.674 -3.341 25428 4279 1 12 . 1 1 16 16 LYS N N 16 115.638 115.638 117.957 -2.319 25428 4280 1 12 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.157 -0.135 25428 4281 1 12 . 1 1 16 16 LYS C C 16 176.800 176.800 178.696 -1.896 25428 4282 1 12 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.272 -2.648 25428 4283 1 12 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.791 -1.954 25428 4284 1 12 . 1 1 17 17 VAL N N 17 118.513 118.513 119.136 -0.623 25428 4285 1 12 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.818 -0.428 25428 4286 1 12 . 1 1 17 17 VAL C C 17 173.946 173.946 178.059 -4.113 25428 4287 1 12 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.391 -2.580 25428 4288 1 12 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.254 -2.166 25428 4289 1 12 . 1 1 18 18 ALA N N 18 121.811 121.811 122.578 -0.767 25428 4290 1 12 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.999 -0.266 25428 4291 1 12 . 1 1 18 18 ALA C C 18 176.571 176.571 179.944 -3.373 25428 4292 1 12 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.568 -3.049 25428 4293 1 12 . 1 1 18 18 ALA CB C 18 15.616 15.616 18.073 -2.457 25428 4294 1 12 . 1 1 19 19 GLU N N 19 116.183 116.183 118.405 -2.222 25428 4295 1 12 . 1 1 19 19 GLU HA H 19 3.913 3.913 3.953 -0.040 25428 4296 1 12 . 1 1 19 19 GLU C C 19 176.184 176.184 179.442 -3.258 25428 4297 1 12 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.751 -2.919 25428 4298 1 12 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.525 -2.411 25428 4299 1 12 . 1 1 20 20 LYS N N 20 120.202 120.202 118.287 1.915 25428 4300 1 12 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.178 -0.115 25428 4301 1 12 . 1 1 20 20 LYS C C 20 175.707 175.707 179.072 -3.365 25428 4302 1 12 . 1 1 20 20 LYS CA C 20 54.340 54.340 58.144 -3.804 25428 4303 1 12 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.287 -5.135 25428 4304 1 12 . 1 1 21 21 LEU N N 21 120.188 120.188 120.439 -0.251 25428 4305 1 12 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.104 -0.200 25428 4306 1 12 . 1 1 21 21 LEU C C 21 175.138 175.138 178.865 -3.727 25428 4307 1 12 . 1 1 21 21 LEU CA C 21 54.762 54.762 57.611 -2.849 25428 4308 1 12 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.211 -3.822 25428 4309 1 12 . 1 1 22 22 ASP N N 22 118.729 118.729 120.529 -1.800 25428 4310 1 12 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.584 -0.159 25428 4311 1 12 . 1 1 22 22 ASP C C 22 175.147 175.147 178.608 -3.461 25428 4312 1 12 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.684 -2.408 25428 4313 1 12 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.847 -1.544 25428 4314 1 12 . 1 1 23 23 GLU N N 23 117.201 117.201 118.761 -1.560 25428 4315 1 12 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.092 -0.203 25428 4316 1 12 . 1 1 23 23 GLU C C 23 177.140 177.140 178.493 -1.353 25428 4317 1 12 . 1 1 23 23 GLU CA C 23 56.749 56.749 58.940 -2.191 25428 4318 1 12 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.540 -2.499 25428 4319 1 12 . 1 1 24 24 ILE N N 24 121.465 121.465 118.957 2.508 25428 4320 1 12 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.617 -0.010 25428 4321 1 12 . 1 1 24 24 ILE C C 24 174.918 174.918 176.746 -1.828 25428 4322 1 12 . 1 1 24 24 ILE CA C 24 63.184 63.184 63.838 -0.654 25428 4323 1 12 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.597 -2.630 25428 4324 1 12 . 1 1 25 25 TYR N N 25 120.955 120.955 114.988 5.967 25428 4325 1 12 . 1 1 25 25 TYR HA H 25 4.812 4.812 5.094 -0.282 25428 4326 1 12 . 1 1 25 25 TYR C C 25 179.018 179.018 176.846 2.172 25428 4327 1 12 . 1 1 25 25 TYR CA C 25 56.172 56.172 58.125 -1.953 25428 4328 1 12 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.295 -3.876 25428 4329 1 12 . 1 1 26 26 VAL N N 26 123.429 123.429 119.266 4.163 25428 4330 1 12 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.948 -0.357 25428 4331 1 12 . 1 1 26 26 VAL C C 26 175.383 175.383 177.249 -1.866 25428 4332 1 12 . 1 1 26 26 VAL CA C 26 63.501 63.501 64.792 -1.291 25428 4333 1 12 . 1 1 26 26 VAL CB C 26 28.993 28.993 32.326 -3.333 25428 4334 1 12 . 1 1 27 27 ALA N N 27 120.082 120.082 120.633 -0.551 25428 4335 1 12 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.423 -0.218 25428 4336 1 12 . 1 1 27 27 ALA C C 27 175.640 175.640 177.468 -1.828 25428 4337 1 12 . 1 1 27 27 ALA CA C 27 50.270 50.270 50.883 -0.613 25428 4338 1 12 . 1 1 27 27 ALA CB C 27 15.992 15.992 17.276 -1.284 25428 4339 1 12 . 1 1 28 28 GLY N N 28 105.543 105.543 108.457 -2.914 25428 4340 1 12 . 1 1 28 28 GLY C C 28 172.315 172.315 174.803 -2.488 25428 4341 1 12 . 1 1 28 28 GLY CA C 28 42.539 42.539 46.214 -3.675 25428 4342 1 12 . 1 1 29 29 LEU N N 29 119.155 119.155 118.950 0.205 25428 4343 1 12 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.210 -0.205 25428 4344 1 12 . 1 1 29 29 LEU C C 29 173.807 173.807 176.741 -2.934 25428 4345 1 12 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.033 -1.953 25428 4346 1 12 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.414 -2.628 25428 4347 1 12 . 1 1 30 30 VAL N N 30 109.334 109.334 109.978 -0.644 25428 4348 1 12 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.589 -0.373 25428 4349 1 12 . 1 1 30 30 VAL C C 30 170.244 170.244 174.307 -4.063 25428 4350 1 12 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.983 -3.539 25428 4351 1 12 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.765 -2.400 25428 4352 1 12 . 1 1 31 31 ALA N N 31 126.238 126.238 123.259 2.979 25428 4353 1 12 . 1 1 31 31 ALA HA H 31 4.559 4.559 5.009 -0.450 25428 4354 1 12 . 1 1 31 31 ALA C C 31 176.016 176.016 178.675 -2.659 25428 4355 1 12 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.821 -3.351 25428 4356 1 12 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.672 -2.632 25428 4357 1 12 . 1 1 32 32 HIS N N 32 120.680 120.680 118.491 2.189 25428 4358 1 12 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.996 -0.006 25428 4359 1 12 . 1 1 32 32 HIS C C 32 174.379 174.379 176.991 -2.612 25428 4360 1 12 . 1 1 32 32 HIS CA C 32 56.668 56.668 58.513 -1.845 25428 4361 1 12 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.262 -2.810 25428 4362 1 12 . 1 1 33 33 SER N N 33 109.997 109.997 113.382 -3.385 25428 4363 1 12 . 1 1 33 33 SER HA H 33 4.125 4.125 4.350 -0.225 25428 4364 1 12 . 1 1 33 33 SER C C 33 172.444 172.444 174.761 -2.317 25428 4365 1 12 . 1 1 33 33 SER CA C 33 56.158 56.158 57.197 -1.038 25428 4366 1 12 . 1 1 33 33 SER CB C 33 60.045 60.045 62.258 -2.213 25428 4367 1 12 . 1 1 34 34 ASP N N 34 119.785 119.785 122.048 -2.263 25428 4368 1 12 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.693 -0.173 25428 4369 1 12 . 1 1 34 34 ASP CA C 34 53.516 53.516 54.640 -1.124 25428 4370 1 12 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.268 -1.778 25428 4371 1 12 . 1 1 35 35 LEU N N 35 118.248 118.248 119.071 -0.823 25428 4372 1 12 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.466 -0.013 25428 4373 1 12 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.555 -4.191 25428 4374 1 12 . 1 1 35 35 LEU CB C 35 38.642 38.642 42.404 -3.761 25428 4375 1 12 . 1 1 36 36 ASP N N 36 122.922 122.922 116.097 6.825 25428 4376 1 12 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.737 -0.312 25428 4377 1 12 . 1 1 36 36 ASP C C 36 173.050 173.050 176.533 -3.483 25428 4378 1 12 . 1 1 36 36 ASP CA C 36 49.746 49.746 52.619 -2.873 25428 4379 1 12 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.059 -2.890 25428 4380 1 12 . 1 1 37 37 GLU N N 37 119.277 119.277 119.292 -0.015 25428 4381 1 12 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.014 -0.188 25428 4382 1 12 . 1 1 37 37 GLU C C 37 175.878 175.878 178.353 -2.475 25428 4383 1 12 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.818 -2.894 25428 4384 1 12 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.705 -3.294 25428 4385 1 12 . 1 1 38 38 ARG N N 38 117.965 117.965 117.481 0.484 25428 4386 1 12 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.111 -0.179 25428 4387 1 12 . 1 1 38 38 ARG C C 38 176.285 176.285 178.439 -2.154 25428 4388 1 12 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.383 -2.577 25428 4389 1 12 . 1 1 38 38 ARG CB C 38 30.966 30.966 30.163 0.803 25428 4390 1 12 . 1 1 39 39 ALA N N 39 123.247 123.247 123.582 -0.335 25428 4391 1 12 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.164 -0.286 25428 4392 1 12 . 1 1 39 39 ALA C C 39 175.872 175.872 179.119 -3.247 25428 4393 1 12 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.879 -2.637 25428 4394 1 12 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.824 -3.633 25428 4395 1 12 . 1 1 40 40 ILE N N 40 116.462 116.462 119.264 -2.802 25428 4396 1 12 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.692 -0.248 25428 4397 1 12 . 1 1 40 40 ILE C C 40 175.056 175.056 178.314 -3.258 25428 4398 1 12 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.596 -2.748 25428 4399 1 12 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.524 -2.903 25428 4400 1 12 . 1 1 41 41 GLU N N 41 117.817 117.817 119.209 -1.392 25428 4401 1 12 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.867 -0.082 25428 4402 1 12 . 1 1 41 41 GLU C C 41 176.503 176.503 178.868 -2.365 25428 4403 1 12 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.356 -2.946 25428 4404 1 12 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.772 -3.412 25428 4405 1 12 . 1 1 42 42 ALA N N 42 120.852 120.852 122.036 -1.184 25428 4406 1 12 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.082 -0.014 25428 4407 1 12 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.620 -2.643 25428 4408 1 12 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.401 -3.072 25428 4409 1 12 . 1 1 43 43 LEU N N 43 120.443 120.443 119.804 0.639 25428 4410 1 12 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.185 -0.046 25428 4411 1 12 . 1 1 43 43 LEU C C 43 176.351 176.351 179.229 -2.878 25428 4412 1 12 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.679 -2.826 25428 4413 1 12 . 1 1 43 43 LEU CB C 43 39.586 39.586 42.047 -2.461 25428 4414 1 12 . 1 1 44 44 LYS N N 44 116.644 116.644 116.389 0.255 25428 4415 1 12 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.117 -0.092 25428 4416 1 12 . 1 1 44 44 LYS C C 44 174.406 174.406 178.476 -4.070 25428 4417 1 12 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.416 -2.985 25428 4418 1 12 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.323 -2.650 25428 4419 1 12 . 1 1 45 45 GLU N N 45 115.882 115.882 120.392 -4.510 25428 4420 1 12 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.132 -0.118 25428 4421 1 12 . 1 1 45 45 GLU C C 45 174.383 174.383 175.271 -0.888 25428 4422 1 12 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.052 -1.771 25428 4423 1 12 . 1 1 45 45 GLU CB C 45 26.997 26.997 28.511 -1.514 25428 4424 1 12 . 1 1 46 46 PHE N N 46 118.293 118.293 117.618 0.675 25428 4425 1 12 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.640 -0.292 25428 4426 1 12 . 1 1 46 46 PHE C C 46 173.933 173.933 174.104 -0.171 25428 4427 1 12 . 1 1 46 46 PHE CA C 46 55.339 55.339 56.772 -1.433 25428 4428 1 12 . 1 1 46 46 PHE CB C 46 38.417 38.417 42.030 -3.613 25428 4429 1 12 . 1 1 47 47 ASN N N 47 117.552 117.552 120.869 -3.317 25428 4430 1 12 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.806 -0.199 25428 4431 1 12 . 1 1 47 47 ASN C C 47 172.500 172.500 176.076 -3.576 25428 4432 1 12 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.495 -2.834 25428 4433 1 12 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.323 -4.137 25428 4434 1 12 . 1 1 48 48 GLU N N 48 121.194 121.194 119.722 1.472 25428 4435 1 12 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.946 -0.268 25428 4436 1 12 . 1 1 48 48 GLU C C 48 174.313 174.313 178.369 -4.056 25428 4437 1 12 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.389 -2.003 25428 4438 1 12 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.636 -2.042 25428 4439 1 12 . 1 1 49 49 ASP N N 49 115.316 115.316 115.699 -0.383 25428 4440 1 12 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.556 -0.333 25428 4441 1 12 . 1 1 49 49 ASP C C 49 176.778 176.778 178.122 -1.344 25428 4442 1 12 . 1 1 49 49 ASP CA C 49 54.688 54.688 56.453 -1.765 25428 4443 1 12 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.529 -3.088 25428 4444 1 12 . 1 1 50 50 GLY N N 50 109.745 109.745 108.136 1.609 25428 4445 1 12 . 1 1 50 50 GLY C C 50 171.469 171.469 175.364 -3.895 25428 4446 1 12 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.756 -2.415 25428 4447 1 12 . 1 1 51 51 ALA N N 51 123.698 123.698 125.242 -1.544 25428 4448 1 12 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.500 -0.133 25428 4449 1 12 . 1 1 51 51 ALA C C 51 177.022 177.022 179.167 -2.145 25428 4450 1 12 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.764 -2.601 25428 4451 1 12 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.531 -1.721 25428 4452 1 12 . 1 1 52 52 LEU N N 52 115.728 115.728 118.615 -2.887 25428 4453 1 12 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.807 -0.019 25428 4454 1 12 . 1 1 52 52 LEU C C 52 176.760 176.760 178.753 -1.993 25428 4455 1 12 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.528 -2.267 25428 4456 1 12 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.685 -3.679 25428 4457 1 12 . 1 1 53 53 ALA N N 53 123.490 123.490 122.331 1.159 25428 4458 1 12 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.838 0.182 25428 4459 1 12 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.841 -2.403 25428 4460 1 12 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.680 -2.233 25428 4461 1 12 . 1 1 54 54 VAL N N 54 119.648 119.648 117.507 2.141 25428 4462 1 12 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.489 -0.411 25428 4463 1 12 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.384 -3.435 25428 4464 1 12 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.727 -2.370 25428 4465 1 12 . 1 1 55 55 LEU N N 55 118.185 118.185 117.907 0.278 25428 4466 1 12 . 1 1 55 55 LEU HA H 55 3.841 3.841 4.094 -0.253 25428 4467 1 12 . 1 1 55 55 LEU C C 55 175.988 175.988 179.077 -3.089 25428 4468 1 12 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.106 -2.451 25428 4469 1 12 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.372 -2.522 25428 4470 1 12 . 1 1 56 56 GLN N N 56 120.271 120.271 120.441 -0.170 25428 4471 1 12 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.846 -0.091 25428 4472 1 12 . 1 1 56 56 GLN C C 56 174.357 174.357 178.088 -3.731 25428 4473 1 12 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.594 -3.875 25428 4474 1 12 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.469 -3.252 25428 4475 1 12 . 1 1 57 57 GLN N N 57 117.610 117.610 117.198 0.412 25428 4476 1 12 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.211 -0.216 25428 4477 1 12 . 1 1 57 57 GLN C C 57 177.125 177.125 177.297 -0.172 25428 4478 1 12 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.022 -1.962 25428 4479 1 12 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.901 -3.752 25428 4480 1 12 . 1 1 58 58 PHE N N 58 120.365 120.365 118.970 1.395 25428 4481 1 12 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.471 -0.271 25428 4482 1 12 . 1 1 58 58 PHE C C 58 172.960 172.960 176.730 -3.770 25428 4483 1 12 . 1 1 58 58 PHE CA C 58 58.622 58.622 59.883 -1.261 25428 4484 1 12 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.660 -2.351 25428 4485 1 12 . 1 1 59 59 LYS N N 59 117.757 117.757 118.045 -0.288 25428 4486 1 12 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.745 -0.118 25428 4487 1 12 . 1 1 59 59 LYS C C 59 174.015 174.015 178.227 -4.212 25428 4488 1 12 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.407 -2.180 25428 4489 1 12 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.688 -3.210 25428 4490 1 12 . 1 1 60 60 ASP N N 60 116.580 116.580 120.733 -4.153 25428 4491 1 12 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.697 -0.067 25428 4492 1 12 . 1 1 60 60 ASP C C 60 174.154 174.154 174.853 -0.699 25428 4493 1 12 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.015 -2.261 25428 4494 1 12 . 1 1 60 60 ASP CB C 60 38.013 38.013 39.587 -1.574 25428 4495 1 12 . 1 1 61 61 SER N N 61 117.142 117.142 115.044 2.098 25428 4496 1 12 . 1 1 61 61 SER HA H 61 4.383 4.383 4.552 -0.169 25428 4497 1 12 . 1 1 61 61 SER C C 61 169.538 169.538 172.504 -2.966 25428 4498 1 12 . 1 1 61 61 SER CA C 61 56.682 56.682 57.534 -0.852 25428 4499 1 12 . 1 1 61 61 SER CB C 61 61.698 61.698 66.182 -4.484 25428 4500 1 12 . 1 1 62 62 ASP N N 62 120.580 120.580 120.783 -0.203 25428 4501 1 12 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.722 -0.172 25428 4502 1 12 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.615 -3.349 25428 4503 1 12 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.636 -4.457 25428 4504 1 12 . 1 1 63 63 LEU N N 63 126.269 126.269 125.211 1.058 25428 4505 1 12 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.337 -0.526 25428 4506 1 12 . 1 1 63 63 LEU CA C 63 51.921 51.921 53.841 -1.920 25428 4507 1 12 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.783 -2.780 25428 4508 1 12 . 1 1 64 64 SER N N 64 116.388 116.388 116.462 -0.074 25428 4509 1 12 . 1 1 64 64 SER HA H 64 3.862 3.862 4.048 -0.186 25428 4510 1 12 . 1 1 64 64 SER C C 64 172.812 172.812 173.965 -1.153 25428 4511 1 12 . 1 1 64 64 SER CA C 64 58.914 58.914 59.733 -0.820 25428 4512 1 12 . 1 1 64 64 SER CB C 64 59.851 59.851 63.274 -3.423 25428 4513 1 12 . 1 1 65 65 HIS N N 65 117.601 117.601 116.039 1.562 25428 4514 1 12 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.226 0.487 25428 4515 1 12 . 1 1 65 65 HIS C C 65 171.008 171.008 174.397 -3.389 25428 4516 1 12 . 1 1 65 65 HIS CA C 65 52.236 52.236 56.944 -4.708 25428 4517 1 12 . 1 1 65 65 HIS CB C 65 25.765 25.765 27.758 -1.993 25428 4518 1 12 . 1 1 66 66 VAL N N 66 121.466 121.466 120.871 0.595 25428 4519 1 12 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.046 -0.189 25428 4520 1 12 . 1 1 66 66 VAL C C 66 172.336 172.336 177.238 -4.902 25428 4521 1 12 . 1 1 66 66 VAL CA C 66 59.147 59.147 62.577 -3.430 25428 4522 1 12 . 1 1 66 66 VAL CB C 66 29.577 29.577 31.587 -2.010 25428 4523 1 12 . 1 1 67 67 GLN N N 67 127.282 127.282 127.014 0.268 25428 4524 1 12 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.067 0.082 25428 4525 1 12 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.901 -3.801 25428 4526 1 12 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.870 -2.555 25428 4527 1 12 . 1 1 68 68 ASN N N 68 117.044 117.044 118.401 -1.357 25428 4528 1 12 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.916 0.019 25428 4529 1 12 . 1 1 68 68 ASN CA C 68 48.730 48.730 52.251 -3.521 25428 4530 1 12 . 1 1 68 68 ASN CB C 68 35.131 35.131 39.234 -4.103 25428 4531 1 12 . 1 1 69 69 LYS N N 69 125.145 125.145 124.021 1.124 25428 4532 1 12 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.211 -0.278 25428 4533 1 12 . 1 1 69 69 LYS CA C 69 57.605 57.605 58.718 -1.113 25428 4534 1 12 . 1 1 69 69 LYS CB C 69 30.295 30.295 31.937 -1.642 25428 4535 1 12 . 1 1 70 70 SER N N 70 116.020 116.020 115.485 0.535 25428 4536 1 12 . 1 1 70 70 SER HA H 70 4.220 4.220 4.169 0.051 25428 4537 1 12 . 1 1 70 70 SER CA C 70 59.898 59.898 61.950 -2.052 25428 4538 1 12 . 1 1 70 70 SER CB C 70 59.848 59.848 62.283 -2.435 25428 4539 1 12 . 1 1 71 71 ALA N N 71 123.444 123.444 123.764 -0.320 25428 4540 1 12 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.242 -0.268 25428 4541 1 12 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.374 -2.504 25428 4542 1 12 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.183 -3.116 25428 4543 1 12 . 1 1 72 72 PHE N N 72 120.178 120.178 120.734 -0.556 25428 4544 1 12 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.287 -0.145 25428 4545 1 12 . 1 1 72 72 PHE C C 72 175.653 175.653 176.971 -1.318 25428 4546 1 12 . 1 1 72 72 PHE CA C 72 58.917 58.917 60.808 -1.891 25428 4547 1 12 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.632 -2.278 25428 4548 1 12 . 1 1 73 73 LEU N N 73 121.921 121.921 121.672 0.249 25428 4549 1 12 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.643 0.110 25428 4550 1 12 . 1 1 73 73 LEU C C 73 175.921 175.921 178.543 -2.622 25428 4551 1 12 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.571 -2.887 25428 4552 1 12 . 1 1 73 73 LEU CB C 73 37.424 37.424 40.939 -3.515 25428 4553 1 12 . 1 1 74 74 CYS N N 74 116.964 116.964 116.716 0.248 25428 4554 1 12 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.149 -0.037 25428 4555 1 12 . 1 1 74 74 CYS C C 74 174.901 174.901 176.848 -1.947 25428 4556 1 12 . 1 1 74 74 CYS CA C 74 61.104 61.104 62.280 -1.176 25428 4557 1 12 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.709 -3.077 25428 4558 1 12 . 1 1 75 75 GLY N N 75 110.524 110.524 108.723 1.801 25428 4559 1 12 . 1 1 75 75 GLY C C 75 173.633 173.633 175.839 -2.206 25428 4560 1 12 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.409 -3.024 25428 4561 1 12 . 1 1 76 76 VAL N N 76 124.398 124.398 123.785 0.613 25428 4562 1 12 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.623 -0.112 25428 4563 1 12 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.803 -3.412 25428 4564 1 12 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.559 -3.060 25428 4565 1 12 . 1 1 77 77 MET N N 77 118.057 118.057 118.188 -0.131 25428 4566 1 12 . 1 1 77 77 MET HA H 77 3.755 3.755 4.063 -0.308 25428 4567 1 12 . 1 1 77 77 MET CA C 77 57.770 57.770 59.703 -1.933 25428 4568 1 12 . 1 1 77 77 MET CB C 77 31.029 31.029 31.857 -0.828 25428 4569 1 12 . 1 1 78 78 LYS N N 78 118.765 118.765 119.451 -0.686 25428 4570 1 12 . 1 1 78 78 LYS HA H 78 3.967 3.967 3.964 0.003 25428 4571 1 12 . 1 1 78 78 LYS CA C 78 57.157 57.157 60.244 -3.087 25428 4572 1 12 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.352 -2.760 25428 4573 1 12 . 1 1 79 79 THR N N 79 114.076 114.076 115.199 -1.123 25428 4574 1 12 . 1 1 79 79 THR HA H 79 3.893 3.893 3.955 -0.062 25428 4575 1 12 . 1 1 79 79 THR CA C 79 62.715 62.715 66.474 -3.759 25428 4576 1 12 . 1 1 79 79 THR CB C 79 65.978 65.978 68.797 -2.819 25428 4577 1 12 . 1 1 80 80 TYR N N 80 123.194 123.194 118.853 4.341 25428 4578 1 12 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.281 -0.263 25428 4579 1 12 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.241 -2.409 25428 4580 1 12 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.380 -2.221 25428 4581 1 12 . 1 1 81 81 ARG N N 81 118.541 118.541 117.392 1.149 25428 4582 1 12 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.236 -0.180 25428 4583 1 12 . 1 1 81 81 ARG CA C 81 55.189 55.189 58.312 -3.123 25428 4584 1 12 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.670 -3.000 25428 4585 1 12 . 1 1 82 82 GLN N N 82 117.664 117.664 118.035 -0.371 25428 4586 1 12 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.623 -0.512 25428 4587 1 12 . 1 1 82 82 GLN CA C 82 53.880 53.880 54.783 -0.903 25428 4588 1 12 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.155 -3.167 25428 4589 1 12 . 1 1 83 83 ARG N N 83 119.552 119.552 119.372 0.180 25428 4590 1 12 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.343 -0.228 25428 4591 1 12 . 1 1 83 83 ARG CA C 83 53.889 53.889 56.641 -2.752 25428 4592 1 12 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.436 -2.625 25428 4593 1 12 . 1 1 84 84 GLU N N 84 121.362 121.362 118.399 2.963 25428 4594 1 12 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.306 -0.173 25428 4595 1 12 . 1 1 84 84 GLU CA C 84 53.838 53.838 56.071 -2.233 25428 4596 1 12 . 1 1 84 84 GLU CB C 84 27.445 27.445 28.360 -0.915 25428 4597 1 13 . 1 1 2 2 SER N N 2 119.046 119.046 114.015 5.031 25428 4598 1 13 . 1 1 2 2 SER HA H 2 4.509 4.509 4.814 -0.305 25428 4599 1 13 . 1 1 2 2 SER C C 2 172.827 172.827 174.055 -1.228 25428 4600 1 13 . 1 1 2 2 SER CA C 2 55.872 55.872 57.297 -1.425 25428 4601 1 13 . 1 1 2 2 SER CB C 2 61.645 61.645 65.963 -4.318 25428 4602 1 13 . 1 1 3 3 GLU N N 3 121.401 121.401 119.397 2.004 25428 4603 1 13 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.222 -0.050 25428 4604 1 13 . 1 1 3 3 GLU C C 3 174.375 174.375 176.608 -2.233 25428 4605 1 13 . 1 1 3 3 GLU CA C 3 55.645 55.645 58.063 -2.418 25428 4606 1 13 . 1 1 3 3 GLU CB C 3 26.263 26.263 28.725 -2.462 25428 4607 1 13 . 1 1 4 4 ASN N N 4 117.467 117.467 116.510 0.957 25428 4608 1 13 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.601 -0.062 25428 4609 1 13 . 1 1 4 4 ASN C C 4 172.792 172.792 176.096 -3.304 25428 4610 1 13 . 1 1 4 4 ASN CA C 4 51.568 51.568 54.070 -2.502 25428 4611 1 13 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.948 -2.320 25428 4612 1 13 . 1 1 5 5 PHE N N 5 121.588 121.588 122.919 -1.331 25428 4613 1 13 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.151 -0.172 25428 4614 1 13 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.581 -2.902 25428 4615 1 13 . 1 1 5 5 PHE CB C 5 36.226 36.226 39.113 -2.887 25428 4616 1 13 . 1 1 6 6 GLN N N 6 117.868 117.868 117.336 0.532 25428 4617 1 13 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.741 -0.263 25428 4618 1 13 . 1 1 6 6 GLN C C 6 174.670 174.670 177.591 -2.921 25428 4619 1 13 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.640 -3.339 25428 4620 1 13 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.787 -2.530 25428 4621 1 13 . 1 1 7 7 THR N N 7 114.124 114.124 115.897 -1.773 25428 4622 1 13 . 1 1 7 7 THR HA H 7 3.862 3.862 3.887 -0.025 25428 4623 1 13 . 1 1 7 7 THR C C 7 173.949 173.949 176.705 -2.756 25428 4624 1 13 . 1 1 7 7 THR CA C 7 62.909 62.909 66.211 -3.302 25428 4625 1 13 . 1 1 7 7 THR CB C 7 65.814 65.814 68.003 -2.189 25428 4626 1 13 . 1 1 8 8 LEU N N 8 121.809 121.809 120.976 0.833 25428 4627 1 13 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.053 -0.160 25428 4628 1 13 . 1 1 8 8 LEU C C 8 175.915 175.915 178.364 -2.449 25428 4629 1 13 . 1 1 8 8 LEU CA C 8 54.612 54.612 56.920 -2.308 25428 4630 1 13 . 1 1 8 8 LEU CB C 8 39.027 39.027 40.324 -1.297 25428 4631 1 13 . 1 1 9 9 LEU N N 9 119.407 119.407 117.127 2.280 25428 4632 1 13 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.014 -0.015 25428 4633 1 13 . 1 1 9 9 LEU C C 9 179.642 179.642 178.309 1.333 25428 4634 1 13 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.531 -2.138 25428 4635 1 13 . 1 1 9 9 LEU CB C 9 38.343 38.343 40.233 -1.890 25428 4636 1 13 . 1 1 10 10 ASP N N 10 122.019 122.019 117.679 4.340 25428 4637 1 13 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.588 -0.359 25428 4638 1 13 . 1 1 10 10 ASP C C 10 174.743 174.743 176.404 -1.661 25428 4639 1 13 . 1 1 10 10 ASP CA C 10 53.829 53.829 54.400 -0.571 25428 4640 1 13 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.405 -4.440 25428 4641 1 13 . 1 1 11 11 ALA N N 11 121.088 121.088 121.218 -0.130 25428 4642 1 13 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.421 -0.213 25428 4643 1 13 . 1 1 11 11 ALA C C 11 174.553 174.553 177.521 -2.968 25428 4644 1 13 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.247 -2.565 25428 4645 1 13 . 1 1 11 11 ALA CB C 11 15.391 15.391 19.068 -3.677 25428 4646 1 13 . 1 1 12 12 GLY N N 12 104.096 104.096 106.062 -1.966 25428 4647 1 13 . 1 1 12 12 GLY C C 12 172.183 172.183 174.311 -2.128 25428 4648 1 13 . 1 1 12 12 GLY CA C 12 42.150 42.150 45.329 -3.179 25428 4649 1 13 . 1 1 13 13 LEU N N 13 120.523 120.523 120.015 0.508 25428 4650 1 13 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.857 -0.492 25428 4651 1 13 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.441 -1.288 25428 4652 1 13 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.879 -4.393 25428 4653 1 13 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.584 -0.233 25428 4654 1 13 . 1 1 14 14 PRO C C 14 174.611 174.611 177.054 -2.443 25428 4655 1 13 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.383 -2.655 25428 4656 1 13 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.715 -2.912 25428 4657 1 13 . 1 1 15 15 GLN N N 15 124.429 124.429 119.836 4.593 25428 4658 1 13 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.999 -0.310 25428 4659 1 13 . 1 1 15 15 GLN C C 15 174.848 174.848 177.755 -2.907 25428 4660 1 13 . 1 1 15 15 GLN CA C 15 57.850 57.850 59.712 -1.862 25428 4661 1 13 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.706 -3.373 25428 4662 1 13 . 1 1 16 16 LYS N N 16 115.638 115.638 118.893 -3.255 25428 4663 1 13 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.324 -0.302 25428 4664 1 13 . 1 1 16 16 LYS C C 16 176.800 176.800 179.053 -2.253 25428 4665 1 13 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.300 -2.676 25428 4666 1 13 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.328 -1.491 25428 4667 1 13 . 1 1 17 17 VAL N N 17 118.513 118.513 118.659 -0.146 25428 4668 1 13 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.746 -0.356 25428 4669 1 13 . 1 1 17 17 VAL C C 17 173.946 173.946 177.795 -3.849 25428 4670 1 13 . 1 1 17 17 VAL CA C 17 62.811 62.811 66.452 -3.641 25428 4671 1 13 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.537 -2.449 25428 4672 1 13 . 1 1 18 18 ALA N N 18 121.811 121.811 122.180 -0.369 25428 4673 1 13 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.928 -0.195 25428 4674 1 13 . 1 1 18 18 ALA C C 18 176.571 176.571 180.032 -3.461 25428 4675 1 13 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.403 -2.884 25428 4676 1 13 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.953 -2.337 25428 4677 1 13 . 1 1 19 19 GLU N N 19 116.183 116.183 116.915 -0.732 25428 4678 1 13 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.263 -0.350 25428 4679 1 13 . 1 1 19 19 GLU C C 19 176.184 176.184 178.478 -2.294 25428 4680 1 13 . 1 1 19 19 GLU CA C 19 56.832 56.832 58.613 -1.781 25428 4681 1 13 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.895 -2.781 25428 4682 1 13 . 1 1 20 20 LYS N N 20 120.202 120.202 116.143 4.059 25428 4683 1 13 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.467 -0.404 25428 4684 1 13 . 1 1 20 20 LYS C C 20 175.707 175.707 178.146 -2.439 25428 4685 1 13 . 1 1 20 20 LYS CA C 20 54.340 54.340 56.784 -2.444 25428 4686 1 13 . 1 1 20 20 LYS CB C 20 27.152 27.152 33.520 -6.368 25428 4687 1 13 . 1 1 21 21 LEU N N 21 120.188 120.188 123.173 -2.985 25428 4688 1 13 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.177 -0.273 25428 4689 1 13 . 1 1 21 21 LEU C C 21 175.138 175.138 178.818 -3.680 25428 4690 1 13 . 1 1 21 21 LEU CA C 21 54.762 54.762 56.843 -2.081 25428 4691 1 13 . 1 1 21 21 LEU CB C 21 38.389 38.389 41.606 -3.217 25428 4692 1 13 . 1 1 22 22 ASP N N 22 118.729 118.729 120.399 -1.670 25428 4693 1 13 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.548 -0.123 25428 4694 1 13 . 1 1 22 22 ASP C C 22 175.147 175.147 178.142 -2.995 25428 4695 1 13 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.943 -2.667 25428 4696 1 13 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.921 -1.618 25428 4697 1 13 . 1 1 23 23 GLU N N 23 117.201 117.201 118.624 -1.423 25428 4698 1 13 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.077 -0.188 25428 4699 1 13 . 1 1 23 23 GLU C C 23 177.140 177.140 178.357 -1.217 25428 4700 1 13 . 1 1 23 23 GLU CA C 23 56.749 56.749 58.915 -2.166 25428 4701 1 13 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.413 -2.372 25428 4702 1 13 . 1 1 24 24 ILE N N 24 121.465 121.465 118.938 2.527 25428 4703 1 13 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.600 0.007 25428 4704 1 13 . 1 1 24 24 ILE C C 24 174.918 174.918 177.822 -2.904 25428 4705 1 13 . 1 1 24 24 ILE CA C 24 63.184 63.184 63.866 -0.682 25428 4706 1 13 . 1 1 24 24 ILE CB C 24 34.967 34.967 36.573 -1.606 25428 4707 1 13 . 1 1 25 25 TYR N N 25 120.955 120.955 119.001 1.954 25428 4708 1 13 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.775 0.037 25428 4709 1 13 . 1 1 25 25 TYR C C 25 179.018 179.018 179.202 -0.184 25428 4710 1 13 . 1 1 25 25 TYR CA C 25 56.172 56.172 60.450 -4.278 25428 4711 1 13 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.278 -3.859 25428 4712 1 13 . 1 1 26 26 VAL N N 26 123.429 123.429 119.038 4.391 25428 4713 1 13 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.749 -0.158 25428 4714 1 13 . 1 1 26 26 VAL C C 26 175.383 175.383 177.228 -1.845 25428 4715 1 13 . 1 1 26 26 VAL CA C 26 63.501 63.501 65.501 -2.000 25428 4716 1 13 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.334 -2.341 25428 4717 1 13 . 1 1 27 27 ALA N N 27 120.082 120.082 118.695 1.387 25428 4718 1 13 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.267 -0.062 25428 4719 1 13 . 1 1 27 27 ALA C C 27 175.640 175.640 178.207 -2.567 25428 4720 1 13 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.280 -2.010 25428 4721 1 13 . 1 1 27 27 ALA CB C 27 15.992 15.992 18.988 -2.996 25428 4722 1 13 . 1 1 28 28 GLY N N 28 105.543 105.543 107.310 -1.767 25428 4723 1 13 . 1 1 28 28 GLY C C 28 172.315 172.315 175.269 -2.954 25428 4724 1 13 . 1 1 28 28 GLY CA C 28 42.539 42.539 46.151 -3.612 25428 4725 1 13 . 1 1 29 29 LEU N N 29 119.155 119.155 119.538 -0.383 25428 4726 1 13 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.056 -0.051 25428 4727 1 13 . 1 1 29 29 LEU C C 29 173.807 173.807 177.243 -3.436 25428 4728 1 13 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.600 -2.520 25428 4729 1 13 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.020 -2.234 25428 4730 1 13 . 1 1 30 30 VAL N N 30 109.334 109.334 109.907 -0.573 25428 4731 1 13 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.590 -0.374 25428 4732 1 13 . 1 1 30 30 VAL C C 30 170.244 170.244 174.310 -4.066 25428 4733 1 13 . 1 1 30 30 VAL CA C 30 56.444 56.444 58.757 -2.313 25428 4734 1 13 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.896 -2.531 25428 4735 1 13 . 1 1 31 31 ALA N N 31 126.238 126.238 123.501 2.737 25428 4736 1 13 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.848 -0.289 25428 4737 1 13 . 1 1 31 31 ALA C C 31 176.016 176.016 178.370 -2.354 25428 4738 1 13 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.522 -3.052 25428 4739 1 13 . 1 1 31 31 ALA CB C 31 18.040 18.040 21.365 -3.325 25428 4740 1 13 . 1 1 32 32 HIS N N 32 120.680 120.680 118.030 2.650 25428 4741 1 13 . 1 1 32 32 HIS HA H 32 3.990 3.990 4.168 -0.178 25428 4742 1 13 . 1 1 32 32 HIS C C 32 174.379 174.379 175.411 -1.032 25428 4743 1 13 . 1 1 32 32 HIS CA C 32 56.668 56.668 57.385 -0.717 25428 4744 1 13 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.288 -2.836 25428 4745 1 13 . 1 1 33 33 SER N N 33 109.997 109.997 113.658 -3.661 25428 4746 1 13 . 1 1 33 33 SER HA H 33 4.125 4.125 4.564 -0.439 25428 4747 1 13 . 1 1 33 33 SER C C 33 172.444 172.444 174.291 -1.847 25428 4748 1 13 . 1 1 33 33 SER CA C 33 56.158 56.158 57.985 -1.827 25428 4749 1 13 . 1 1 33 33 SER CB C 33 60.045 60.045 63.590 -3.545 25428 4750 1 13 . 1 1 34 34 ASP N N 34 119.785 119.785 122.440 -2.655 25428 4751 1 13 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.604 -0.084 25428 4752 1 13 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.790 -2.274 25428 4753 1 13 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.475 -1.985 25428 4754 1 13 . 1 1 35 35 LEU N N 35 118.248 118.248 120.480 -2.232 25428 4755 1 13 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.408 0.045 25428 4756 1 13 . 1 1 35 35 LEU CA C 35 50.364 50.364 55.106 -4.742 25428 4757 1 13 . 1 1 35 35 LEU CB C 35 38.642 38.642 41.358 -2.716 25428 4758 1 13 . 1 1 36 36 ASP N N 36 122.922 122.922 124.302 -1.380 25428 4759 1 13 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.657 -0.232 25428 4760 1 13 . 1 1 36 36 ASP C C 36 173.050 173.050 177.554 -4.504 25428 4761 1 13 . 1 1 36 36 ASP CA C 36 49.746 49.746 53.524 -3.778 25428 4762 1 13 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.394 -3.225 25428 4763 1 13 . 1 1 37 37 GLU N N 37 119.277 119.277 122.123 -2.846 25428 4764 1 13 . 1 1 37 37 GLU HA H 37 3.826 3.826 3.936 -0.110 25428 4765 1 13 . 1 1 37 37 GLU C C 37 175.878 175.878 178.204 -2.326 25428 4766 1 13 . 1 1 37 37 GLU CA C 37 56.924 56.924 60.380 -3.456 25428 4767 1 13 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.672 -3.261 25428 4768 1 13 . 1 1 38 38 ARG N N 38 117.965 117.965 117.202 0.763 25428 4769 1 13 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.090 -0.158 25428 4770 1 13 . 1 1 38 38 ARG C C 38 176.285 176.285 178.532 -2.247 25428 4771 1 13 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.736 -2.930 25428 4772 1 13 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.611 1.355 25428 4773 1 13 . 1 1 39 39 ALA N N 39 123.247 123.247 122.010 1.237 25428 4774 1 13 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.339 -0.461 25428 4775 1 13 . 1 1 39 39 ALA C C 39 175.872 175.872 179.152 -3.280 25428 4776 1 13 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.370 -2.128 25428 4777 1 13 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.820 -3.629 25428 4778 1 13 . 1 1 40 40 ILE N N 40 116.462 116.462 119.121 -2.659 25428 4779 1 13 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.769 -0.325 25428 4780 1 13 . 1 1 40 40 ILE C C 40 175.056 175.056 178.014 -2.958 25428 4781 1 13 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.343 -2.495 25428 4782 1 13 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.519 -2.898 25428 4783 1 13 . 1 1 41 41 GLU N N 41 117.817 117.817 120.684 -2.867 25428 4784 1 13 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.977 -0.192 25428 4785 1 13 . 1 1 41 41 GLU C C 41 176.503 176.503 178.666 -2.163 25428 4786 1 13 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.403 -2.992 25428 4787 1 13 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.293 -2.933 25428 4788 1 13 . 1 1 42 42 ALA N N 42 120.852 120.852 121.325 -0.473 25428 4789 1 13 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.123 -0.055 25428 4790 1 13 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.748 -2.771 25428 4791 1 13 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.356 -3.027 25428 4792 1 13 . 1 1 43 43 LEU N N 43 120.443 120.443 120.453 -0.010 25428 4793 1 13 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.124 0.015 25428 4794 1 13 . 1 1 43 43 LEU C C 43 176.351 176.351 179.558 -3.207 25428 4795 1 13 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.735 -2.882 25428 4796 1 13 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.981 -2.395 25428 4797 1 13 . 1 1 44 44 LYS N N 44 116.644 116.644 115.725 0.919 25428 4798 1 13 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.095 -0.070 25428 4799 1 13 . 1 1 44 44 LYS C C 44 174.406 174.406 177.754 -3.348 25428 4800 1 13 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.528 -3.097 25428 4801 1 13 . 1 1 44 44 LYS CB C 44 29.673 29.673 31.990 -2.317 25428 4802 1 13 . 1 1 45 45 GLU N N 45 115.882 115.882 116.809 -0.927 25428 4803 1 13 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.133 -0.119 25428 4804 1 13 . 1 1 45 45 GLU C C 45 174.383 174.383 177.072 -2.689 25428 4805 1 13 . 1 1 45 45 GLU CA C 45 54.281 54.281 57.337 -3.056 25428 4806 1 13 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.933 -2.936 25428 4807 1 13 . 1 1 46 46 PHE N N 46 118.293 118.293 118.801 -0.508 25428 4808 1 13 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.520 -0.172 25428 4809 1 13 . 1 1 46 46 PHE C C 46 173.933 173.933 175.159 -1.226 25428 4810 1 13 . 1 1 46 46 PHE CA C 46 55.339 55.339 57.834 -2.495 25428 4811 1 13 . 1 1 46 46 PHE CB C 46 38.417 38.417 40.105 -1.688 25428 4812 1 13 . 1 1 47 47 ASN N N 47 117.552 117.552 119.366 -1.814 25428 4813 1 13 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.734 -0.127 25428 4814 1 13 . 1 1 47 47 ASN C C 47 172.500 172.500 176.372 -3.872 25428 4815 1 13 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.533 -2.873 25428 4816 1 13 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.784 -4.598 25428 4817 1 13 . 1 1 48 48 GLU N N 48 121.194 121.194 118.617 2.577 25428 4818 1 13 . 1 1 48 48 GLU HA H 48 3.678 3.678 4.017 -0.339 25428 4819 1 13 . 1 1 48 48 GLU C C 48 174.313 174.313 177.785 -3.472 25428 4820 1 13 . 1 1 48 48 GLU CA C 48 58.386 58.386 59.717 -1.331 25428 4821 1 13 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.575 -1.981 25428 4822 1 13 . 1 1 49 49 ASP N N 49 115.316 115.316 117.403 -2.087 25428 4823 1 13 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.665 -0.442 25428 4824 1 13 . 1 1 49 49 ASP C C 49 176.778 176.778 178.123 -1.345 25428 4825 1 13 . 1 1 49 49 ASP CA C 49 54.688 54.688 55.526 -0.838 25428 4826 1 13 . 1 1 49 49 ASP CB C 49 37.441 37.441 41.573 -4.132 25428 4827 1 13 . 1 1 50 50 GLY N N 50 109.745 109.745 108.747 0.998 25428 4828 1 13 . 1 1 50 50 GLY C C 50 171.469 171.469 175.541 -4.072 25428 4829 1 13 . 1 1 50 50 GLY CA C 50 44.341 44.341 47.269 -2.928 25428 4830 1 13 . 1 1 51 51 ALA N N 51 123.698 123.698 124.534 -0.836 25428 4831 1 13 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.605 -0.238 25428 4832 1 13 . 1 1 51 51 ALA C C 51 177.022 177.022 178.820 -1.798 25428 4833 1 13 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.809 -2.646 25428 4834 1 13 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.576 -1.766 25428 4835 1 13 . 1 1 52 52 LEU N N 52 115.728 115.728 119.437 -3.709 25428 4836 1 13 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.925 -0.137 25428 4837 1 13 . 1 1 52 52 LEU C C 52 176.760 176.760 178.556 -1.796 25428 4838 1 13 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.256 -1.995 25428 4839 1 13 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.298 -3.292 25428 4840 1 13 . 1 1 53 53 ALA N N 53 123.490 123.490 121.819 1.671 25428 4841 1 13 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.796 0.224 25428 4842 1 13 . 1 1 53 53 ALA CA C 53 52.438 52.438 55.374 -2.936 25428 4843 1 13 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.456 -2.010 25428 4844 1 13 . 1 1 54 54 VAL N N 54 119.648 119.648 118.138 1.510 25428 4845 1 13 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.415 -0.337 25428 4846 1 13 . 1 1 54 54 VAL CA C 54 62.949 62.949 65.619 -2.670 25428 4847 1 13 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.740 -2.383 25428 4848 1 13 . 1 1 55 55 LEU N N 55 118.185 118.185 119.290 -1.105 25428 4849 1 13 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.985 -0.144 25428 4850 1 13 . 1 1 55 55 LEU C C 55 175.988 175.988 178.921 -2.933 25428 4851 1 13 . 1 1 55 55 LEU CA C 55 54.655 54.655 58.034 -3.379 25428 4852 1 13 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.313 -2.463 25428 4853 1 13 . 1 1 56 56 GLN N N 56 120.271 120.271 117.577 2.694 25428 4854 1 13 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.998 -0.243 25428 4855 1 13 . 1 1 56 56 GLN C C 56 174.357 174.357 177.931 -3.574 25428 4856 1 13 . 1 1 56 56 GLN CA C 56 55.719 55.719 58.517 -2.798 25428 4857 1 13 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.339 -3.122 25428 4858 1 13 . 1 1 57 57 GLN N N 57 117.610 117.610 117.517 0.093 25428 4859 1 13 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.306 -0.311 25428 4860 1 13 . 1 1 57 57 GLN C C 57 177.125 177.125 177.013 0.112 25428 4861 1 13 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.053 -1.993 25428 4862 1 13 . 1 1 57 57 GLN CB C 57 25.148 25.148 29.597 -4.449 25428 4863 1 13 . 1 1 58 58 PHE N N 58 120.365 120.365 118.811 1.554 25428 4864 1 13 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.506 -0.306 25428 4865 1 13 . 1 1 58 58 PHE C C 58 172.960 172.960 178.254 -5.294 25428 4866 1 13 . 1 1 58 58 PHE CA C 58 58.622 58.622 59.578 -0.956 25428 4867 1 13 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.701 -2.392 25428 4868 1 13 . 1 1 59 59 LYS N N 59 117.757 117.757 120.478 -2.721 25428 4869 1 13 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.803 -0.176 25428 4870 1 13 . 1 1 59 59 LYS C C 59 174.015 174.015 177.272 -3.257 25428 4871 1 13 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.837 -2.610 25428 4872 1 13 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.156 -2.678 25428 4873 1 13 . 1 1 60 60 ASP N N 60 116.580 116.580 115.265 1.315 25428 4874 1 13 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.644 -0.014 25428 4875 1 13 . 1 1 60 60 ASP C C 60 174.154 174.154 176.020 -1.866 25428 4876 1 13 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.376 -2.622 25428 4877 1 13 . 1 1 60 60 ASP CB C 60 38.013 38.013 41.018 -3.005 25428 4878 1 13 . 1 1 61 61 SER N N 61 117.142 117.142 115.301 1.841 25428 4879 1 13 . 1 1 61 61 SER HA H 61 4.383 4.383 4.510 -0.127 25428 4880 1 13 . 1 1 61 61 SER C C 61 169.538 169.538 174.897 -5.359 25428 4881 1 13 . 1 1 61 61 SER CA C 61 56.682 56.682 58.550 -1.868 25428 4882 1 13 . 1 1 61 61 SER CB C 61 61.698 61.698 64.159 -2.462 25428 4883 1 13 . 1 1 62 62 ASP N N 62 120.580 120.580 125.267 -4.687 25428 4884 1 13 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.618 -0.068 25428 4885 1 13 . 1 1 62 62 ASP CA C 62 50.266 50.266 54.434 -4.168 25428 4886 1 13 . 1 1 62 62 ASP CB C 62 36.179 36.179 39.045 -2.866 25428 4887 1 13 . 1 1 63 63 LEU N N 63 126.269 126.269 120.405 5.864 25428 4888 1 13 . 1 1 63 63 LEU HA H 63 3.811 3.811 3.824 -0.013 25428 4889 1 13 . 1 1 63 63 LEU CA C 63 51.921 51.921 55.772 -3.851 25428 4890 1 13 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.028 -2.025 25428 4891 1 13 . 1 1 64 64 SER N N 64 116.388 116.388 116.515 -0.127 25428 4892 1 13 . 1 1 64 64 SER HA H 64 3.862 3.862 4.049 -0.187 25428 4893 1 13 . 1 1 64 64 SER C C 64 172.812 172.812 175.967 -3.155 25428 4894 1 13 . 1 1 64 64 SER CA C 64 58.914 58.914 60.797 -1.883 25428 4895 1 13 . 1 1 64 64 SER CB C 64 59.851 59.851 62.685 -2.834 25428 4896 1 13 . 1 1 65 65 HIS N N 65 117.601 117.601 120.266 -2.665 25428 4897 1 13 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.595 0.118 25428 4898 1 13 . 1 1 65 65 HIS C C 65 171.008 171.008 173.880 -2.872 25428 4899 1 13 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.580 -3.344 25428 4900 1 13 . 1 1 65 65 HIS CB C 65 25.765 25.765 28.473 -2.708 25428 4901 1 13 . 1 1 66 66 VAL N N 66 121.466 121.466 121.566 -0.100 25428 4902 1 13 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.284 -0.427 25428 4903 1 13 . 1 1 66 66 VAL C C 66 172.336 172.336 175.619 -3.283 25428 4904 1 13 . 1 1 66 66 VAL CA C 66 59.147 59.147 61.543 -2.396 25428 4905 1 13 . 1 1 66 66 VAL CB C 66 29.577 29.577 34.487 -4.910 25428 4906 1 13 . 1 1 67 67 GLN N N 67 127.282 127.282 126.902 0.380 25428 4907 1 13 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.157 -0.008 25428 4908 1 13 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.943 -3.843 25428 4909 1 13 . 1 1 67 67 GLN CB C 67 26.315 26.315 29.044 -2.729 25428 4910 1 13 . 1 1 68 68 ASN N N 68 117.044 117.044 119.893 -2.849 25428 4911 1 13 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.638 0.297 25428 4912 1 13 . 1 1 68 68 ASN CA C 68 48.730 48.730 53.654 -4.925 25428 4913 1 13 . 1 1 68 68 ASN CB C 68 35.131 35.131 37.587 -2.456 25428 4914 1 13 . 1 1 69 69 LYS N N 69 125.145 125.145 122.622 2.523 25428 4915 1 13 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.081 -0.148 25428 4916 1 13 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.252 -1.647 25428 4917 1 13 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.146 -1.851 25428 4918 1 13 . 1 1 70 70 SER N N 70 116.020 116.020 115.586 0.434 25428 4919 1 13 . 1 1 70 70 SER HA H 70 4.220 4.220 4.251 -0.031 25428 4920 1 13 . 1 1 70 70 SER CA C 70 59.898 59.898 61.690 -1.792 25428 4921 1 13 . 1 1 70 70 SER CB C 70 59.848 59.848 62.705 -2.857 25428 4922 1 13 . 1 1 71 71 ALA N N 71 123.444 123.444 125.367 -1.923 25428 4923 1 13 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.110 -0.136 25428 4924 1 13 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.729 -2.859 25428 4925 1 13 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.441 -3.374 25428 4926 1 13 . 1 1 72 72 PHE N N 72 120.178 120.178 120.077 0.101 25428 4927 1 13 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.277 -0.135 25428 4928 1 13 . 1 1 72 72 PHE C C 72 175.653 175.653 177.154 -1.501 25428 4929 1 13 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.335 -2.418 25428 4930 1 13 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.556 -2.202 25428 4931 1 13 . 1 1 73 73 LEU N N 73 121.921 121.921 121.540 0.381 25428 4932 1 13 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.453 0.300 25428 4933 1 13 . 1 1 73 73 LEU C C 73 175.921 175.921 178.508 -2.587 25428 4934 1 13 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.304 -2.620 25428 4935 1 13 . 1 1 73 73 LEU CB C 73 37.424 37.424 40.745 -3.321 25428 4936 1 13 . 1 1 74 74 CYS N N 74 116.964 116.964 117.881 -0.917 25428 4937 1 13 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.055 0.057 25428 4938 1 13 . 1 1 74 74 CYS C C 74 174.901 174.901 177.128 -2.227 25428 4939 1 13 . 1 1 74 74 CYS CA C 74 61.104 61.104 63.345 -2.241 25428 4940 1 13 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.575 -2.943 25428 4941 1 13 . 1 1 75 75 GLY N N 75 110.524 110.524 108.182 2.342 25428 4942 1 13 . 1 1 75 75 GLY C C 75 173.633 173.633 175.874 -2.241 25428 4943 1 13 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.188 -2.803 25428 4944 1 13 . 1 1 76 76 VAL N N 76 124.398 124.398 123.080 1.318 25428 4945 1 13 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.526 -0.015 25428 4946 1 13 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.440 -3.049 25428 4947 1 13 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.805 -3.306 25428 4948 1 13 . 1 1 77 77 MET N N 77 118.057 118.057 117.884 0.173 25428 4949 1 13 . 1 1 77 77 MET HA H 77 3.755 3.755 4.196 -0.441 25428 4950 1 13 . 1 1 77 77 MET CA C 77 57.770 57.770 59.308 -1.538 25428 4951 1 13 . 1 1 77 77 MET CB C 77 31.029 31.029 31.910 -0.881 25428 4952 1 13 . 1 1 78 78 LYS N N 78 118.765 118.765 119.451 -0.686 25428 4953 1 13 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.023 -0.056 25428 4954 1 13 . 1 1 78 78 LYS CA C 78 57.157 57.157 60.300 -3.143 25428 4955 1 13 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.111 -2.519 25428 4956 1 13 . 1 1 79 79 THR N N 79 114.076 114.076 115.486 -1.410 25428 4957 1 13 . 1 1 79 79 THR HA H 79 3.893 3.893 4.226 -0.333 25428 4958 1 13 . 1 1 79 79 THR CA C 79 62.715 62.715 65.625 -2.910 25428 4959 1 13 . 1 1 79 79 THR CB C 79 65.978 65.978 68.507 -2.529 25428 4960 1 13 . 1 1 80 80 TYR N N 80 123.194 123.194 121.492 1.702 25428 4961 1 13 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.308 -0.290 25428 4962 1 13 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.848 -3.016 25428 4963 1 13 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.090 -1.931 25428 4964 1 13 . 1 1 81 81 ARG N N 81 118.541 118.541 116.696 1.845 25428 4965 1 13 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.260 -0.204 25428 4966 1 13 . 1 1 81 81 ARG CA C 81 55.189 55.189 58.130 -2.941 25428 4967 1 13 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.864 -3.194 25428 4968 1 13 . 1 1 82 82 GLN N N 82 117.664 117.664 119.265 -1.601 25428 4969 1 13 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.509 -0.398 25428 4970 1 13 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.149 -1.269 25428 4971 1 13 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.471 -3.483 25428 4972 1 13 . 1 1 83 83 ARG N N 83 119.552 119.552 119.360 0.192 25428 4973 1 13 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.546 -0.431 25428 4974 1 13 . 1 1 83 83 ARG CA C 83 53.889 53.889 56.044 -2.155 25428 4975 1 13 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.540 -2.729 25428 4976 1 13 . 1 1 84 84 GLU N N 84 121.362 121.362 119.910 1.452 25428 4977 1 13 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.548 -0.415 25428 4978 1 13 . 1 1 84 84 GLU CA C 84 53.838 53.838 55.623 -1.785 25428 4979 1 13 . 1 1 84 84 GLU CB C 84 27.445 27.445 31.207 -3.762 25428 4980 1 14 . 1 1 2 2 SER N N 2 119.046 119.046 115.714 3.332 25428 4981 1 14 . 1 1 2 2 SER HA H 2 4.509 4.509 4.757 -0.248 25428 4982 1 14 . 1 1 2 2 SER C C 2 172.827 172.827 175.860 -3.033 25428 4983 1 14 . 1 1 2 2 SER CA C 2 55.872 55.872 56.502 -0.630 25428 4984 1 14 . 1 1 2 2 SER CB C 2 61.645 61.645 64.706 -3.061 25428 4985 1 14 . 1 1 3 3 GLU N N 3 121.401 121.401 120.235 1.166 25428 4986 1 14 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.030 0.142 25428 4987 1 14 . 1 1 3 3 GLU C C 3 174.375 174.375 176.906 -2.531 25428 4988 1 14 . 1 1 3 3 GLU CA C 3 55.645 55.645 58.903 -3.258 25428 4989 1 14 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.022 -2.759 25428 4990 1 14 . 1 1 4 4 ASN N N 4 117.467 117.467 118.104 -0.637 25428 4991 1 14 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.481 0.058 25428 4992 1 14 . 1 1 4 4 ASN C C 4 172.792 172.792 176.960 -4.168 25428 4993 1 14 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.854 -4.286 25428 4994 1 14 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.458 -1.829 25428 4995 1 14 . 1 1 5 5 PHE N N 5 121.588 121.588 122.265 -0.677 25428 4996 1 14 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.120 -0.141 25428 4997 1 14 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.764 -3.085 25428 4998 1 14 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.739 -2.513 25428 4999 1 14 . 1 1 6 6 GLN N N 6 117.868 117.868 117.415 0.453 25428 5000 1 14 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.784 -0.306 25428 5001 1 14 . 1 1 6 6 GLN C C 6 174.670 174.670 177.911 -3.241 25428 5002 1 14 . 1 1 6 6 GLN CA C 6 55.301 55.301 59.087 -3.786 25428 5003 1 14 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.879 -2.622 25428 5004 1 14 . 1 1 7 7 THR N N 7 114.124 114.124 116.862 -2.738 25428 5005 1 14 . 1 1 7 7 THR HA H 7 3.862 3.862 4.021 -0.159 25428 5006 1 14 . 1 1 7 7 THR C C 7 173.949 173.949 176.659 -2.710 25428 5007 1 14 . 1 1 7 7 THR CA C 7 62.909 62.909 66.484 -3.575 25428 5008 1 14 . 1 1 7 7 THR CB C 7 65.814 65.814 68.211 -2.397 25428 5009 1 14 . 1 1 8 8 LEU N N 8 121.809 121.809 122.692 -0.883 25428 5010 1 14 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.028 -0.135 25428 5011 1 14 . 1 1 8 8 LEU C C 8 175.915 175.915 178.254 -2.339 25428 5012 1 14 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.800 -3.188 25428 5013 1 14 . 1 1 8 8 LEU CB C 8 39.027 39.027 40.874 -1.847 25428 5014 1 14 . 1 1 9 9 LEU N N 9 119.407 119.407 116.737 2.670 25428 5015 1 14 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.171 -0.172 25428 5016 1 14 . 1 1 9 9 LEU C C 9 179.642 179.642 178.243 1.399 25428 5017 1 14 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.861 -2.468 25428 5018 1 14 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.608 -3.264 25428 5019 1 14 . 1 1 10 10 ASP N N 10 122.019 122.019 118.086 3.933 25428 5020 1 14 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.531 -0.302 25428 5021 1 14 . 1 1 10 10 ASP C C 10 174.743 174.743 177.783 -3.040 25428 5022 1 14 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.604 -1.775 25428 5023 1 14 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.471 -4.506 25428 5024 1 14 . 1 1 11 11 ALA N N 11 121.088 121.088 120.025 1.063 25428 5025 1 14 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.157 0.051 25428 5026 1 14 . 1 1 11 11 ALA C C 11 174.553 174.553 178.245 -3.692 25428 5027 1 14 . 1 1 11 11 ALA CA C 11 49.682 49.682 53.422 -3.740 25428 5028 1 14 . 1 1 11 11 ALA CB C 11 15.391 15.391 19.040 -3.648 25428 5029 1 14 . 1 1 12 12 GLY N N 12 104.096 104.096 103.786 0.310 25428 5030 1 14 . 1 1 12 12 GLY C C 12 172.183 172.183 173.841 -1.658 25428 5031 1 14 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.677 -2.527 25428 5032 1 14 . 1 1 13 13 LEU N N 13 120.523 120.523 121.715 -1.192 25428 5033 1 14 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.802 -0.437 25428 5034 1 14 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.922 -1.770 25428 5035 1 14 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.164 -3.678 25428 5036 1 14 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.542 -0.191 25428 5037 1 14 . 1 1 14 14 PRO C C 14 174.611 174.611 177.371 -2.760 25428 5038 1 14 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.380 -2.652 25428 5039 1 14 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.749 -2.946 25428 5040 1 14 . 1 1 15 15 GLN N N 15 124.429 124.429 120.946 3.483 25428 5041 1 14 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.968 -0.279 25428 5042 1 14 . 1 1 15 15 GLN C C 15 174.848 174.848 177.839 -2.991 25428 5043 1 14 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.127 -2.277 25428 5044 1 14 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.615 -3.282 25428 5045 1 14 . 1 1 16 16 LYS N N 16 115.638 115.638 118.872 -3.234 25428 5046 1 14 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.073 -0.051 25428 5047 1 14 . 1 1 16 16 LYS C C 16 176.800 176.800 178.912 -2.112 25428 5048 1 14 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.847 -3.223 25428 5049 1 14 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.331 -1.494 25428 5050 1 14 . 1 1 17 17 VAL N N 17 118.513 118.513 118.729 -0.216 25428 5051 1 14 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.637 -0.247 25428 5052 1 14 . 1 1 17 17 VAL C C 17 173.946 173.946 177.573 -3.627 25428 5053 1 14 . 1 1 17 17 VAL CA C 17 62.811 62.811 66.782 -3.971 25428 5054 1 14 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.607 -2.519 25428 5055 1 14 . 1 1 18 18 ALA N N 18 121.811 121.811 121.721 0.090 25428 5056 1 14 . 1 1 18 18 ALA HA H 18 3.733 3.733 4.005 -0.272 25428 5057 1 14 . 1 1 18 18 ALA C C 18 176.571 176.571 180.012 -3.441 25428 5058 1 14 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.542 -3.023 25428 5059 1 14 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.990 -2.374 25428 5060 1 14 . 1 1 19 19 GLU N N 19 116.183 116.183 117.713 -1.530 25428 5061 1 14 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.004 -0.091 25428 5062 1 14 . 1 1 19 19 GLU C C 19 176.184 176.184 179.129 -2.945 25428 5063 1 14 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.645 -2.813 25428 5064 1 14 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.600 -2.486 25428 5065 1 14 . 1 1 20 20 LYS N N 20 120.202 120.202 117.713 2.489 25428 5066 1 14 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.192 -0.129 25428 5067 1 14 . 1 1 20 20 LYS C C 20 175.707 175.707 178.690 -2.983 25428 5068 1 14 . 1 1 20 20 LYS CA C 20 54.340 54.340 57.715 -3.375 25428 5069 1 14 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.415 -5.263 25428 5070 1 14 . 1 1 21 21 LEU N N 21 120.188 120.188 120.123 0.065 25428 5071 1 14 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.086 -0.182 25428 5072 1 14 . 1 1 21 21 LEU C C 21 175.138 175.138 178.336 -3.198 25428 5073 1 14 . 1 1 21 21 LEU CA C 21 54.762 54.762 56.805 -2.043 25428 5074 1 14 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.089 -3.700 25428 5075 1 14 . 1 1 22 22 ASP N N 22 118.729 118.729 120.332 -1.603 25428 5076 1 14 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.437 -0.012 25428 5077 1 14 . 1 1 22 22 ASP C C 22 175.147 175.147 177.937 -2.790 25428 5078 1 14 . 1 1 22 22 ASP CA C 22 55.276 55.276 58.287 -3.011 25428 5079 1 14 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.848 -1.545 25428 5080 1 14 . 1 1 23 23 GLU N N 23 117.201 117.201 118.986 -1.785 25428 5081 1 14 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.017 -0.128 25428 5082 1 14 . 1 1 23 23 GLU C C 23 177.140 177.140 178.349 -1.209 25428 5083 1 14 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.152 -2.403 25428 5084 1 14 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.429 -2.388 25428 5085 1 14 . 1 1 24 24 ILE N N 24 121.465 121.465 118.651 2.814 25428 5086 1 14 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.684 -0.077 25428 5087 1 14 . 1 1 24 24 ILE C C 24 174.918 174.918 178.059 -3.141 25428 5088 1 14 . 1 1 24 24 ILE CA C 24 63.184 63.184 64.001 -0.817 25428 5089 1 14 . 1 1 24 24 ILE CB C 24 34.967 34.967 36.506 -1.539 25428 5090 1 14 . 1 1 25 25 TYR N N 25 120.955 120.955 118.597 2.358 25428 5091 1 14 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.745 0.067 25428 5092 1 14 . 1 1 25 25 TYR C C 25 179.018 179.018 179.463 -0.445 25428 5093 1 14 . 1 1 25 25 TYR CA C 25 56.172 56.172 59.623 -3.451 25428 5094 1 14 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.020 -3.601 25428 5095 1 14 . 1 1 26 26 VAL N N 26 123.429 123.429 119.619 3.810 25428 5096 1 14 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.680 -0.089 25428 5097 1 14 . 1 1 26 26 VAL C C 26 175.383 175.383 177.331 -1.948 25428 5098 1 14 . 1 1 26 26 VAL CA C 26 63.501 63.501 65.619 -2.118 25428 5099 1 14 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.236 -2.244 25428 5100 1 14 . 1 1 27 27 ALA N N 27 120.082 120.082 118.753 1.329 25428 5101 1 14 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.263 -0.058 25428 5102 1 14 . 1 1 27 27 ALA C C 27 175.640 175.640 178.026 -2.386 25428 5103 1 14 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.502 -2.232 25428 5104 1 14 . 1 1 27 27 ALA CB C 27 15.992 15.992 19.084 -3.092 25428 5105 1 14 . 1 1 28 28 GLY N N 28 105.543 105.543 106.258 -0.715 25428 5106 1 14 . 1 1 28 28 GLY C C 28 172.315 172.315 174.920 -2.605 25428 5107 1 14 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.607 -3.068 25428 5108 1 14 . 1 1 29 29 LEU N N 29 119.155 119.155 120.041 -0.886 25428 5109 1 14 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.410 -0.405 25428 5110 1 14 . 1 1 29 29 LEU C C 29 173.807 173.807 177.441 -3.634 25428 5111 1 14 . 1 1 29 29 LEU CA C 29 54.080 54.080 57.508 -3.428 25428 5112 1 14 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.538 -2.752 25428 5113 1 14 . 1 1 30 30 VAL N N 30 109.334 109.334 111.459 -2.125 25428 5114 1 14 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.483 -0.267 25428 5115 1 14 . 1 1 30 30 VAL C C 30 170.244 170.244 175.177 -4.933 25428 5116 1 14 . 1 1 30 30 VAL CA C 30 56.444 56.444 60.499 -4.055 25428 5117 1 14 . 1 1 30 30 VAL CB C 30 32.365 32.365 33.592 -1.227 25428 5118 1 14 . 1 1 31 31 ALA N N 31 126.238 126.238 121.300 4.938 25428 5119 1 14 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.959 -0.400 25428 5120 1 14 . 1 1 31 31 ALA C C 31 176.016 176.016 178.096 -2.080 25428 5121 1 14 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.414 -2.944 25428 5122 1 14 . 1 1 31 31 ALA CB C 31 18.040 18.040 21.132 -3.092 25428 5123 1 14 . 1 1 32 32 HIS N N 32 120.680 120.680 116.915 3.765 25428 5124 1 14 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.168 0.822 25428 5125 1 14 . 1 1 32 32 HIS C C 32 174.379 174.379 175.138 -0.759 25428 5126 1 14 . 1 1 32 32 HIS CA C 32 56.668 56.668 57.530 -0.862 25428 5127 1 14 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.102 -2.650 25428 5128 1 14 . 1 1 33 33 SER N N 33 109.997 109.997 111.991 -1.994 25428 5129 1 14 . 1 1 33 33 SER HA H 33 4.125 4.125 4.250 -0.125 25428 5130 1 14 . 1 1 33 33 SER C C 33 172.444 172.444 174.581 -2.137 25428 5131 1 14 . 1 1 33 33 SER CA C 33 56.158 56.158 56.161 -0.003 25428 5132 1 14 . 1 1 33 33 SER CB C 33 60.045 60.045 63.135 -3.090 25428 5133 1 14 . 1 1 34 34 ASP N N 34 119.785 119.785 121.658 -1.873 25428 5134 1 14 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.563 -0.043 25428 5135 1 14 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.699 -2.183 25428 5136 1 14 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.530 -2.040 25428 5137 1 14 . 1 1 35 35 LEU N N 35 118.248 118.248 117.402 0.846 25428 5138 1 14 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.541 -0.088 25428 5139 1 14 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.070 -3.706 25428 5140 1 14 . 1 1 35 35 LEU CB C 35 38.642 38.642 43.132 -4.490 25428 5141 1 14 . 1 1 36 36 ASP N N 36 122.922 122.922 120.991 1.931 25428 5142 1 14 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.733 -0.308 25428 5143 1 14 . 1 1 36 36 ASP C C 36 173.050 173.050 177.020 -3.970 25428 5144 1 14 . 1 1 36 36 ASP CA C 36 49.746 49.746 53.308 -3.562 25428 5145 1 14 . 1 1 36 36 ASP CB C 36 39.169 39.169 41.974 -2.804 25428 5146 1 14 . 1 1 37 37 GLU N N 37 119.277 119.277 121.794 -2.517 25428 5147 1 14 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.008 -0.182 25428 5148 1 14 . 1 1 37 37 GLU C C 37 175.878 175.878 178.103 -2.225 25428 5149 1 14 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.672 -2.748 25428 5150 1 14 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.710 -3.299 25428 5151 1 14 . 1 1 38 38 ARG N N 38 117.965 117.965 117.480 0.485 25428 5152 1 14 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.170 -0.238 25428 5153 1 14 . 1 1 38 38 ARG C C 38 176.285 176.285 178.504 -2.219 25428 5154 1 14 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.907 -3.101 25428 5155 1 14 . 1 1 38 38 ARG CB C 38 30.966 30.966 30.064 0.902 25428 5156 1 14 . 1 1 39 39 ALA N N 39 123.247 123.247 123.474 -0.227 25428 5157 1 14 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.280 -0.402 25428 5158 1 14 . 1 1 39 39 ALA C C 39 175.872 175.872 179.661 -3.789 25428 5159 1 14 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.592 -2.350 25428 5160 1 14 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.664 -3.473 25428 5161 1 14 . 1 1 40 40 ILE N N 40 116.462 116.462 119.319 -2.857 25428 5162 1 14 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.682 -0.238 25428 5163 1 14 . 1 1 40 40 ILE C C 40 175.056 175.056 177.910 -2.854 25428 5164 1 14 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.630 -2.782 25428 5165 1 14 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.430 -2.809 25428 5166 1 14 . 1 1 41 41 GLU N N 41 117.817 117.817 120.670 -2.853 25428 5167 1 14 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.983 -0.198 25428 5168 1 14 . 1 1 41 41 GLU C C 41 176.503 176.503 178.608 -2.105 25428 5169 1 14 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.499 -3.088 25428 5170 1 14 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.870 -3.510 25428 5171 1 14 . 1 1 42 42 ALA N N 42 120.852 120.852 120.356 0.496 25428 5172 1 14 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.400 -0.332 25428 5173 1 14 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.462 -2.485 25428 5174 1 14 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.819 -3.490 25428 5175 1 14 . 1 1 43 43 LEU N N 43 120.443 120.443 120.176 0.267 25428 5176 1 14 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.113 0.026 25428 5177 1 14 . 1 1 43 43 LEU C C 43 176.351 176.351 178.741 -2.390 25428 5178 1 14 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.874 -3.021 25428 5179 1 14 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.451 -1.865 25428 5180 1 14 . 1 1 44 44 LYS N N 44 116.644 116.644 115.278 1.366 25428 5181 1 14 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.068 -0.043 25428 5182 1 14 . 1 1 44 44 LYS C C 44 174.406 174.406 177.592 -3.186 25428 5183 1 14 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.512 -3.081 25428 5184 1 14 . 1 1 44 44 LYS CB C 44 29.673 29.673 31.471 -1.798 25428 5185 1 14 . 1 1 45 45 GLU N N 45 115.882 115.882 117.008 -1.126 25428 5186 1 14 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.165 -0.151 25428 5187 1 14 . 1 1 45 45 GLU C C 45 174.383 174.383 177.170 -2.787 25428 5188 1 14 . 1 1 45 45 GLU CA C 45 54.281 54.281 57.134 -2.853 25428 5189 1 14 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.829 -2.832 25428 5190 1 14 . 1 1 46 46 PHE N N 46 118.293 118.293 119.782 -1.489 25428 5191 1 14 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.528 -0.180 25428 5192 1 14 . 1 1 46 46 PHE C C 46 173.933 173.933 175.386 -1.453 25428 5193 1 14 . 1 1 46 46 PHE CA C 46 55.339 55.339 57.569 -2.230 25428 5194 1 14 . 1 1 46 46 PHE CB C 46 38.417 38.417 39.914 -1.497 25428 5195 1 14 . 1 1 47 47 ASN N N 47 117.552 117.552 119.448 -1.896 25428 5196 1 14 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.788 -0.181 25428 5197 1 14 . 1 1 47 47 ASN C C 47 172.500 172.500 176.207 -3.707 25428 5198 1 14 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.213 -2.553 25428 5199 1 14 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.293 -4.107 25428 5200 1 14 . 1 1 48 48 GLU N N 48 121.194 121.194 119.703 1.491 25428 5201 1 14 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.916 -0.238 25428 5202 1 14 . 1 1 48 48 GLU C C 48 174.313 174.313 178.460 -4.147 25428 5203 1 14 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.603 -2.217 25428 5204 1 14 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.560 -1.966 25428 5205 1 14 . 1 1 49 49 ASP N N 49 115.316 115.316 116.721 -1.405 25428 5206 1 14 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.469 -0.246 25428 5207 1 14 . 1 1 49 49 ASP C C 49 176.778 176.778 178.390 -1.612 25428 5208 1 14 . 1 1 49 49 ASP CA C 49 54.688 54.688 56.910 -2.221 25428 5209 1 14 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.200 -2.760 25428 5210 1 14 . 1 1 50 50 GLY N N 50 109.745 109.745 108.285 1.460 25428 5211 1 14 . 1 1 50 50 GLY C C 50 171.469 171.469 175.619 -4.150 25428 5212 1 14 . 1 1 50 50 GLY CA C 50 44.341 44.341 47.081 -2.740 25428 5213 1 14 . 1 1 51 51 ALA N N 51 123.698 123.698 124.423 -0.725 25428 5214 1 14 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.636 -0.269 25428 5215 1 14 . 1 1 51 51 ALA C C 51 177.022 177.022 179.508 -2.486 25428 5216 1 14 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.592 -2.429 25428 5217 1 14 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.352 -1.542 25428 5218 1 14 . 1 1 52 52 LEU N N 52 115.728 115.728 119.038 -3.310 25428 5219 1 14 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.906 -0.118 25428 5220 1 14 . 1 1 52 52 LEU C C 52 176.760 176.760 178.500 -1.740 25428 5221 1 14 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.477 -2.216 25428 5222 1 14 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.532 -3.526 25428 5223 1 14 . 1 1 53 53 ALA N N 53 123.490 123.490 121.543 1.947 25428 5224 1 14 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.018 0.002 25428 5225 1 14 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.993 -2.555 25428 5226 1 14 . 1 1 53 53 ALA CB C 53 15.446 15.446 18.073 -2.627 25428 5227 1 14 . 1 1 54 54 VAL N N 54 119.648 119.648 117.154 2.494 25428 5228 1 14 . 1 1 54 54 VAL HA H 54 3.078 3.078 2.883 0.195 25428 5229 1 14 . 1 1 54 54 VAL CA C 54 62.949 62.949 65.460 -2.511 25428 5230 1 14 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.797 -2.441 25428 5231 1 14 . 1 1 55 55 LEU N N 55 118.185 118.185 119.447 -1.262 25428 5232 1 14 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.960 -0.119 25428 5233 1 14 . 1 1 55 55 LEU C C 55 175.988 175.988 178.529 -2.541 25428 5234 1 14 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.452 -2.797 25428 5235 1 14 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.414 -2.564 25428 5236 1 14 . 1 1 56 56 GLN N N 56 120.271 120.271 118.391 1.880 25428 5237 1 14 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.909 -0.154 25428 5238 1 14 . 1 1 56 56 GLN C C 56 174.357 174.357 178.499 -4.142 25428 5239 1 14 . 1 1 56 56 GLN CA C 56 55.719 55.719 58.856 -3.137 25428 5240 1 14 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.136 -2.919 25428 5241 1 14 . 1 1 57 57 GLN N N 57 117.610 117.610 117.046 0.564 25428 5242 1 14 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.271 -0.276 25428 5243 1 14 . 1 1 57 57 GLN C C 57 177.125 177.125 177.248 -0.123 25428 5244 1 14 . 1 1 57 57 GLN CA C 57 56.060 56.060 57.224 -1.163 25428 5245 1 14 . 1 1 57 57 GLN CB C 57 25.148 25.148 29.372 -4.224 25428 5246 1 14 . 1 1 58 58 PHE N N 58 120.365 120.365 119.083 1.282 25428 5247 1 14 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.414 -0.214 25428 5248 1 14 . 1 1 58 58 PHE C C 58 172.960 172.960 176.846 -3.886 25428 5249 1 14 . 1 1 58 58 PHE CA C 58 58.622 58.622 60.440 -1.818 25428 5250 1 14 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.332 -2.023 25428 5251 1 14 . 1 1 59 59 LYS N N 59 117.757 117.757 118.225 -0.468 25428 5252 1 14 . 1 1 59 59 LYS HA H 59 3.627 3.627 4.080 -0.453 25428 5253 1 14 . 1 1 59 59 LYS C C 59 174.015 174.015 177.585 -3.570 25428 5254 1 14 . 1 1 59 59 LYS CA C 59 56.227 56.227 57.050 -0.823 25428 5255 1 14 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.409 -2.931 25428 5256 1 14 . 1 1 60 60 ASP N N 60 116.580 116.580 120.188 -3.608 25428 5257 1 14 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.694 -0.064 25428 5258 1 14 . 1 1 60 60 ASP C C 60 174.154 174.154 175.344 -1.190 25428 5259 1 14 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.476 -2.722 25428 5260 1 14 . 1 1 60 60 ASP CB C 60 38.013 38.013 39.931 -1.917 25428 5261 1 14 . 1 1 61 61 SER N N 61 117.142 117.142 114.297 2.845 25428 5262 1 14 . 1 1 61 61 SER HA H 61 4.383 4.383 4.612 -0.229 25428 5263 1 14 . 1 1 61 61 SER C C 61 169.538 169.538 172.603 -3.065 25428 5264 1 14 . 1 1 61 61 SER CA C 61 56.682 56.682 57.684 -1.002 25428 5265 1 14 . 1 1 61 61 SER CB C 61 61.698 61.698 65.618 -3.920 25428 5266 1 14 . 1 1 62 62 ASP N N 62 120.580 120.580 121.513 -0.933 25428 5267 1 14 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.760 -0.210 25428 5268 1 14 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.495 -3.229 25428 5269 1 14 . 1 1 62 62 ASP CB C 62 36.179 36.179 38.770 -2.591 25428 5270 1 14 . 1 1 63 63 LEU N N 63 126.269 126.269 121.078 5.191 25428 5271 1 14 . 1 1 63 63 LEU HA H 63 3.811 3.811 3.881 -0.070 25428 5272 1 14 . 1 1 63 63 LEU CA C 63 51.921 51.921 55.420 -3.499 25428 5273 1 14 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.254 -2.251 25428 5274 1 14 . 1 1 64 64 SER N N 64 116.388 116.388 114.975 1.413 25428 5275 1 14 . 1 1 64 64 SER HA H 64 3.862 3.862 4.161 -0.299 25428 5276 1 14 . 1 1 64 64 SER C C 64 172.812 172.812 174.529 -1.717 25428 5277 1 14 . 1 1 64 64 SER CA C 64 58.914 58.914 59.594 -0.680 25428 5278 1 14 . 1 1 64 64 SER CB C 64 59.851 59.851 62.664 -2.813 25428 5279 1 14 . 1 1 65 65 HIS N N 65 117.601 117.601 119.060 -1.459 25428 5280 1 14 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.697 0.016 25428 5281 1 14 . 1 1 65 65 HIS C C 65 171.008 171.008 173.623 -2.615 25428 5282 1 14 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.302 -3.066 25428 5283 1 14 . 1 1 65 65 HIS CB C 65 25.765 25.765 30.963 -5.199 25428 5284 1 14 . 1 1 66 66 VAL N N 66 121.466 121.466 122.295 -0.829 25428 5285 1 14 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.401 -0.544 25428 5286 1 14 . 1 1 66 66 VAL C C 66 172.336 172.336 175.239 -2.903 25428 5287 1 14 . 1 1 66 66 VAL CA C 66 59.147 59.147 60.472 -1.325 25428 5288 1 14 . 1 1 66 66 VAL CB C 66 29.577 29.577 33.889 -4.312 25428 5289 1 14 . 1 1 67 67 GLN N N 67 127.282 127.282 128.560 -1.278 25428 5290 1 14 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.144 0.005 25428 5291 1 14 . 1 1 67 67 GLN CA C 67 55.100 55.100 57.813 -2.713 25428 5292 1 14 . 1 1 67 67 GLN CB C 67 26.315 26.315 29.294 -2.979 25428 5293 1 14 . 1 1 68 68 ASN N N 68 117.044 117.044 118.080 -1.036 25428 5294 1 14 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.695 0.240 25428 5295 1 14 . 1 1 68 68 ASN CA C 68 48.730 48.730 53.204 -4.474 25428 5296 1 14 . 1 1 68 68 ASN CB C 68 35.131 35.131 38.110 -2.979 25428 5297 1 14 . 1 1 69 69 LYS N N 69 125.145 125.145 125.899 -0.754 25428 5298 1 14 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.309 -0.376 25428 5299 1 14 . 1 1 69 69 LYS CA C 69 57.605 57.605 58.260 -0.655 25428 5300 1 14 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.280 -1.985 25428 5301 1 14 . 1 1 70 70 SER N N 70 116.020 116.020 116.921 -0.901 25428 5302 1 14 . 1 1 70 70 SER HA H 70 4.220 4.220 4.196 0.024 25428 5303 1 14 . 1 1 70 70 SER CA C 70 59.898 59.898 61.779 -1.881 25428 5304 1 14 . 1 1 70 70 SER CB C 70 59.848 59.848 62.919 -3.071 25428 5305 1 14 . 1 1 71 71 ALA N N 71 123.444 123.444 123.973 -0.529 25428 5306 1 14 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.139 -0.165 25428 5307 1 14 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.998 -3.128 25428 5308 1 14 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.269 -3.202 25428 5309 1 14 . 1 1 72 72 PHE N N 72 120.178 120.178 119.635 0.543 25428 5310 1 14 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.249 -0.107 25428 5311 1 14 . 1 1 72 72 PHE C C 72 175.653 175.653 177.033 -1.380 25428 5312 1 14 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.601 -2.684 25428 5313 1 14 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.510 -2.156 25428 5314 1 14 . 1 1 73 73 LEU N N 73 121.921 121.921 121.572 0.349 25428 5315 1 14 . 1 1 73 73 LEU HA H 73 3.753 3.753 4.224 -0.471 25428 5316 1 14 . 1 1 73 73 LEU C C 73 175.921 175.921 178.654 -2.733 25428 5317 1 14 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.738 -3.054 25428 5318 1 14 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.658 -4.234 25428 5319 1 14 . 1 1 74 74 CYS N N 74 116.964 116.964 116.994 -0.030 25428 5320 1 14 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.126 -0.014 25428 5321 1 14 . 1 1 74 74 CYS C C 74 174.901 174.901 177.405 -2.504 25428 5322 1 14 . 1 1 74 74 CYS CA C 74 61.104 61.104 63.779 -2.675 25428 5323 1 14 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.208 -2.576 25428 5324 1 14 . 1 1 75 75 GLY N N 75 110.524 110.524 108.606 1.918 25428 5325 1 14 . 1 1 75 75 GLY C C 75 173.633 173.633 175.880 -2.247 25428 5326 1 14 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.141 -2.756 25428 5327 1 14 . 1 1 76 76 VAL N N 76 124.398 124.398 122.812 1.586 25428 5328 1 14 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.547 -0.036 25428 5329 1 14 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.460 -3.068 25428 5330 1 14 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.790 -3.291 25428 5331 1 14 . 1 1 77 77 MET N N 77 118.057 118.057 118.552 -0.495 25428 5332 1 14 . 1 1 77 77 MET HA H 77 3.755 3.755 4.082 -0.327 25428 5333 1 14 . 1 1 77 77 MET CA C 77 57.770 57.770 59.856 -2.086 25428 5334 1 14 . 1 1 77 77 MET CB C 77 31.029 31.029 32.386 -1.357 25428 5335 1 14 . 1 1 78 78 LYS N N 78 118.765 118.765 118.659 0.106 25428 5336 1 14 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.133 -0.166 25428 5337 1 14 . 1 1 78 78 LYS CA C 78 57.157 57.157 59.245 -2.088 25428 5338 1 14 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.289 -2.697 25428 5339 1 14 . 1 1 79 79 THR N N 79 114.076 114.076 114.114 -0.038 25428 5340 1 14 . 1 1 79 79 THR HA H 79 3.893 3.893 4.131 -0.238 25428 5341 1 14 . 1 1 79 79 THR CA C 79 62.715 62.715 65.859 -3.144 25428 5342 1 14 . 1 1 79 79 THR CB C 79 65.978 65.978 69.110 -3.132 25428 5343 1 14 . 1 1 80 80 TYR N N 80 123.194 123.194 121.505 1.689 25428 5344 1 14 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.310 -0.292 25428 5345 1 14 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.786 -2.954 25428 5346 1 14 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.517 -2.358 25428 5347 1 14 . 1 1 81 81 ARG N N 81 118.541 118.541 116.571 1.970 25428 5348 1 14 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.309 -0.253 25428 5349 1 14 . 1 1 81 81 ARG CA C 81 55.189 55.189 56.485 -1.296 25428 5350 1 14 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.748 -3.078 25428 5351 1 14 . 1 1 82 82 GLN N N 82 117.664 117.664 119.376 -1.712 25428 5352 1 14 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.515 -0.404 25428 5353 1 14 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.060 -1.180 25428 5354 1 14 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.626 -3.638 25428 5355 1 14 . 1 1 83 83 ARG N N 83 119.552 119.552 122.569 -3.017 25428 5356 1 14 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.497 -0.382 25428 5357 1 14 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.638 -1.749 25428 5358 1 14 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.343 -2.532 25428 5359 1 14 . 1 1 84 84 GLU N N 84 121.362 121.362 125.318 -3.956 25428 5360 1 14 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.355 -0.222 25428 5361 1 14 . 1 1 84 84 GLU CA C 84 53.838 53.838 56.777 -2.939 25428 5362 1 14 . 1 1 84 84 GLU CB C 84 27.445 27.445 29.464 -2.019 25428 5363 1 15 . 1 1 2 2 SER N N 2 119.046 119.046 114.245 4.801 25428 5364 1 15 . 1 1 2 2 SER HA H 2 4.509 4.509 4.869 -0.360 25428 5365 1 15 . 1 1 2 2 SER C C 2 172.827 172.827 174.386 -1.559 25428 5366 1 15 . 1 1 2 2 SER CA C 2 55.872 55.872 56.857 -0.985 25428 5367 1 15 . 1 1 2 2 SER CB C 2 61.645 61.645 64.039 -2.394 25428 5368 1 15 . 1 1 3 3 GLU N N 3 121.401 121.401 119.530 1.871 25428 5369 1 15 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.068 0.104 25428 5370 1 15 . 1 1 3 3 GLU C C 3 174.375 174.375 177.538 -3.163 25428 5371 1 15 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.161 -3.516 25428 5372 1 15 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.444 -3.181 25428 5373 1 15 . 1 1 4 4 ASN N N 4 117.467 117.467 117.318 0.149 25428 5374 1 15 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.384 0.155 25428 5375 1 15 . 1 1 4 4 ASN C C 4 172.792 172.792 177.120 -4.328 25428 5376 1 15 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.253 -3.685 25428 5377 1 15 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.464 -1.836 25428 5378 1 15 . 1 1 5 5 PHE N N 5 121.588 121.588 122.530 -0.942 25428 5379 1 15 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.063 -0.084 25428 5380 1 15 . 1 1 5 5 PHE CA C 5 58.679 58.679 62.049 -3.370 25428 5381 1 15 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.797 -2.571 25428 5382 1 15 . 1 1 6 6 GLN N N 6 117.868 117.868 117.265 0.603 25428 5383 1 15 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.788 -0.310 25428 5384 1 15 . 1 1 6 6 GLN C C 6 174.670 174.670 178.128 -3.458 25428 5385 1 15 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.733 -3.432 25428 5386 1 15 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.942 -2.685 25428 5387 1 15 . 1 1 7 7 THR N N 7 114.124 114.124 116.397 -2.273 25428 5388 1 15 . 1 1 7 7 THR HA H 7 3.862 3.862 3.971 -0.109 25428 5389 1 15 . 1 1 7 7 THR C C 7 173.949 173.949 177.081 -3.132 25428 5390 1 15 . 1 1 7 7 THR CA C 7 62.909 62.909 65.348 -2.439 25428 5391 1 15 . 1 1 7 7 THR CB C 7 65.814 65.814 68.459 -2.645 25428 5392 1 15 . 1 1 8 8 LEU N N 8 121.809 121.809 123.158 -1.349 25428 5393 1 15 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.014 -0.121 25428 5394 1 15 . 1 1 8 8 LEU C C 8 175.915 175.915 178.778 -2.863 25428 5395 1 15 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.742 -3.130 25428 5396 1 15 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.349 -2.322 25428 5397 1 15 . 1 1 9 9 LEU N N 9 119.407 119.407 115.932 3.475 25428 5398 1 15 . 1 1 9 9 LEU HA H 9 3.999 3.999 3.944 0.055 25428 5399 1 15 . 1 1 9 9 LEU C C 9 179.642 179.642 177.444 2.198 25428 5400 1 15 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.339 -1.946 25428 5401 1 15 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.599 -3.256 25428 5402 1 15 . 1 1 10 10 ASP N N 10 122.019 122.019 116.881 5.138 25428 5403 1 15 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.563 -0.334 25428 5404 1 15 . 1 1 10 10 ASP C C 10 174.743 174.743 176.829 -2.086 25428 5405 1 15 . 1 1 10 10 ASP CA C 10 53.829 53.829 53.745 0.084 25428 5406 1 15 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.859 -4.894 25428 5407 1 15 . 1 1 11 11 ALA N N 11 121.088 121.088 121.708 -0.620 25428 5408 1 15 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.451 -0.243 25428 5409 1 15 . 1 1 11 11 ALA C C 11 174.553 174.553 177.403 -2.850 25428 5410 1 15 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.434 -2.752 25428 5411 1 15 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.658 -3.267 25428 5412 1 15 . 1 1 12 12 GLY N N 12 104.096 104.096 105.357 -1.261 25428 5413 1 15 . 1 1 12 12 GLY C C 12 172.183 172.183 174.258 -2.075 25428 5414 1 15 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.775 -2.625 25428 5415 1 15 . 1 1 13 13 LEU N N 13 120.523 120.523 120.154 0.369 25428 5416 1 15 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.793 -0.428 25428 5417 1 15 . 1 1 13 13 LEU CA C 13 50.153 50.153 52.114 -1.961 25428 5418 1 15 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.051 -3.565 25428 5419 1 15 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.447 -0.096 25428 5420 1 15 . 1 1 14 14 PRO C C 14 174.611 174.611 176.839 -2.228 25428 5421 1 15 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.709 -2.981 25428 5422 1 15 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.655 -2.852 25428 5423 1 15 . 1 1 15 15 GLN N N 15 124.429 124.429 118.286 6.143 25428 5424 1 15 . 1 1 15 15 GLN HA H 15 3.689 3.689 4.088 -0.399 25428 5425 1 15 . 1 1 15 15 GLN C C 15 174.848 174.848 178.001 -3.153 25428 5426 1 15 . 1 1 15 15 GLN CA C 15 57.850 57.850 59.155 -1.305 25428 5427 1 15 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.701 -3.369 25428 5428 1 15 . 1 1 16 16 LYS N N 16 115.638 115.638 119.052 -3.414 25428 5429 1 15 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.091 -0.069 25428 5430 1 15 . 1 1 16 16 LYS C C 16 176.800 176.800 179.170 -2.370 25428 5431 1 15 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.292 -2.668 25428 5432 1 15 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.367 -1.530 25428 5433 1 15 . 1 1 17 17 VAL N N 17 118.513 118.513 117.626 0.887 25428 5434 1 15 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.664 -0.274 25428 5435 1 15 . 1 1 17 17 VAL C C 17 173.946 173.946 178.115 -4.169 25428 5436 1 15 . 1 1 17 17 VAL CA C 17 62.811 62.811 66.046 -3.235 25428 5437 1 15 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.244 -2.156 25428 5438 1 15 . 1 1 18 18 ALA N N 18 121.811 121.811 122.642 -0.831 25428 5439 1 15 . 1 1 18 18 ALA HA H 18 3.733 3.733 4.058 -0.325 25428 5440 1 15 . 1 1 18 18 ALA C C 18 176.571 176.571 179.652 -3.081 25428 5441 1 15 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.169 -2.650 25428 5442 1 15 . 1 1 18 18 ALA CB C 18 15.616 15.616 17.873 -2.257 25428 5443 1 15 . 1 1 19 19 GLU N N 19 116.183 116.183 114.971 1.212 25428 5444 1 15 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.209 -0.296 25428 5445 1 15 . 1 1 19 19 GLU C C 19 176.184 176.184 177.838 -1.654 25428 5446 1 15 . 1 1 19 19 GLU CA C 19 56.832 56.832 58.495 -1.663 25428 5447 1 15 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.772 -2.658 25428 5448 1 15 . 1 1 20 20 LYS N N 20 120.202 120.202 114.515 5.687 25428 5449 1 15 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.579 -0.516 25428 5450 1 15 . 1 1 20 20 LYS C C 20 175.707 175.707 176.386 -0.679 25428 5451 1 15 . 1 1 20 20 LYS CA C 20 54.340 54.340 55.482 -1.142 25428 5452 1 15 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.887 -5.735 25428 5453 1 15 . 1 1 21 21 LEU N N 21 120.188 120.188 121.398 -1.210 25428 5454 1 15 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.443 -0.539 25428 5455 1 15 . 1 1 21 21 LEU C C 21 175.138 175.138 177.993 -2.855 25428 5456 1 15 . 1 1 21 21 LEU CA C 21 54.762 54.762 55.856 -1.094 25428 5457 1 15 . 1 1 21 21 LEU CB C 21 38.389 38.389 43.743 -5.354 25428 5458 1 15 . 1 1 22 22 ASP N N 22 118.729 118.729 121.697 -2.968 25428 5459 1 15 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.533 -0.108 25428 5460 1 15 . 1 1 22 22 ASP C C 22 175.147 175.147 178.289 -3.142 25428 5461 1 15 . 1 1 22 22 ASP CA C 22 55.276 55.276 58.118 -2.842 25428 5462 1 15 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.923 -1.620 25428 5463 1 15 . 1 1 23 23 GLU N N 23 117.201 117.201 119.740 -2.539 25428 5464 1 15 . 1 1 23 23 GLU HA H 23 3.889 3.889 3.967 -0.078 25428 5465 1 15 . 1 1 23 23 GLU C C 23 177.140 177.140 178.843 -1.703 25428 5466 1 15 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.283 -2.534 25428 5467 1 15 . 1 1 23 23 GLU CB C 23 27.041 27.041 28.916 -1.875 25428 5468 1 15 . 1 1 24 24 ILE N N 24 121.465 121.465 118.035 3.430 25428 5469 1 15 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.642 -0.035 25428 5470 1 15 . 1 1 24 24 ILE C C 24 174.918 174.918 177.131 -2.213 25428 5471 1 15 . 1 1 24 24 ILE CA C 24 63.184 63.184 63.735 -0.551 25428 5472 1 15 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.517 -2.550 25428 5473 1 15 . 1 1 25 25 TYR N N 25 120.955 120.955 115.153 5.802 25428 5474 1 15 . 1 1 25 25 TYR HA H 25 4.812 4.812 5.082 -0.270 25428 5475 1 15 . 1 1 25 25 TYR C C 25 179.018 179.018 177.054 1.964 25428 5476 1 15 . 1 1 25 25 TYR CA C 25 56.172 56.172 57.920 -1.748 25428 5477 1 15 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.582 -4.163 25428 5478 1 15 . 1 1 26 26 VAL N N 26 123.429 123.429 118.608 4.821 25428 5479 1 15 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.944 -0.353 25428 5480 1 15 . 1 1 26 26 VAL C C 26 175.383 175.383 177.078 -1.695 25428 5481 1 15 . 1 1 26 26 VAL CA C 26 63.501 63.501 63.508 -0.007 25428 5482 1 15 . 1 1 26 26 VAL CB C 26 28.993 28.993 32.079 -3.086 25428 5483 1 15 . 1 1 27 27 ALA N N 27 120.082 120.082 122.263 -2.181 25428 5484 1 15 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.372 -0.167 25428 5485 1 15 . 1 1 27 27 ALA C C 27 175.640 175.640 177.741 -2.101 25428 5486 1 15 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.073 -1.803 25428 5487 1 15 . 1 1 27 27 ALA CB C 27 15.992 15.992 18.539 -2.547 25428 5488 1 15 . 1 1 28 28 GLY N N 28 105.543 105.543 105.958 -0.415 25428 5489 1 15 . 1 1 28 28 GLY C C 28 172.315 172.315 174.799 -2.484 25428 5490 1 15 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.721 -3.182 25428 5491 1 15 . 1 1 29 29 LEU N N 29 119.155 119.155 121.298 -2.143 25428 5492 1 15 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.207 -0.202 25428 5493 1 15 . 1 1 29 29 LEU C C 29 173.807 173.807 177.923 -4.116 25428 5494 1 15 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.580 -2.500 25428 5495 1 15 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.361 -2.575 25428 5496 1 15 . 1 1 30 30 VAL N N 30 109.334 109.334 110.812 -1.478 25428 5497 1 15 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.659 -0.443 25428 5498 1 15 . 1 1 30 30 VAL C C 30 170.244 170.244 174.689 -4.445 25428 5499 1 15 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.968 -3.524 25428 5500 1 15 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.337 -1.972 25428 5501 1 15 . 1 1 31 31 ALA N N 31 126.238 126.238 122.530 3.708 25428 5502 1 15 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.647 -0.088 25428 5503 1 15 . 1 1 31 31 ALA C C 31 176.016 176.016 178.287 -2.271 25428 5504 1 15 . 1 1 31 31 ALA CA C 31 47.470 47.470 51.419 -3.949 25428 5505 1 15 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.397 -2.357 25428 5506 1 15 . 1 1 32 32 HIS N N 32 120.680 120.680 117.836 2.844 25428 5507 1 15 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.283 0.707 25428 5508 1 15 . 1 1 32 32 HIS C C 32 174.379 174.379 175.019 -0.640 25428 5509 1 15 . 1 1 32 32 HIS CA C 32 56.668 56.668 56.609 0.059 25428 5510 1 15 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.261 -2.809 25428 5511 1 15 . 1 1 33 33 SER N N 33 109.997 109.997 113.932 -3.935 25428 5512 1 15 . 1 1 33 33 SER HA H 33 4.125 4.125 4.492 -0.367 25428 5513 1 15 . 1 1 33 33 SER C C 33 172.444 172.444 173.796 -1.352 25428 5514 1 15 . 1 1 33 33 SER CA C 33 56.158 56.158 56.992 -0.834 25428 5515 1 15 . 1 1 33 33 SER CB C 33 60.045 60.045 63.852 -3.807 25428 5516 1 15 . 1 1 34 34 ASP N N 34 119.785 119.785 122.034 -2.249 25428 5517 1 15 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.694 -0.174 25428 5518 1 15 . 1 1 34 34 ASP CA C 34 53.516 53.516 54.261 -0.745 25428 5519 1 15 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.406 -1.916 25428 5520 1 15 . 1 1 35 35 LEU N N 35 118.248 118.248 118.442 -0.194 25428 5521 1 15 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.655 -0.202 25428 5522 1 15 . 1 1 35 35 LEU CA C 35 50.364 50.364 53.682 -3.318 25428 5523 1 15 . 1 1 35 35 LEU CB C 35 38.642 38.642 43.625 -4.983 25428 5524 1 15 . 1 1 36 36 ASP N N 36 122.922 122.922 120.423 2.499 25428 5525 1 15 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.919 -0.494 25428 5526 1 15 . 1 1 36 36 ASP C C 36 173.050 173.050 176.153 -3.103 25428 5527 1 15 . 1 1 36 36 ASP CA C 36 49.746 49.746 53.150 -3.404 25428 5528 1 15 . 1 1 36 36 ASP CB C 36 39.169 39.169 44.002 -4.833 25428 5529 1 15 . 1 1 37 37 GLU N N 37 119.277 119.277 121.876 -2.599 25428 5530 1 15 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.065 -0.239 25428 5531 1 15 . 1 1 37 37 GLU C C 37 175.878 175.878 178.310 -2.432 25428 5532 1 15 . 1 1 37 37 GLU CA C 37 56.924 56.924 60.041 -3.116 25428 5533 1 15 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.901 -3.490 25428 5534 1 15 . 1 1 38 38 ARG N N 38 117.965 117.965 117.311 0.654 25428 5535 1 15 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.060 -0.128 25428 5536 1 15 . 1 1 38 38 ARG C C 38 176.285 176.285 178.537 -2.252 25428 5537 1 15 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.637 -2.831 25428 5538 1 15 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.866 1.100 25428 5539 1 15 . 1 1 39 39 ALA N N 39 123.247 123.247 123.124 0.123 25428 5540 1 15 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.208 -0.330 25428 5541 1 15 . 1 1 39 39 ALA C C 39 175.872 175.872 179.132 -3.260 25428 5542 1 15 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.796 -2.554 25428 5543 1 15 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.864 -3.674 25428 5544 1 15 . 1 1 40 40 ILE N N 40 116.462 116.462 118.839 -2.377 25428 5545 1 15 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.700 -0.256 25428 5546 1 15 . 1 1 40 40 ILE C C 40 175.056 175.056 178.540 -3.484 25428 5547 1 15 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.543 -2.695 25428 5548 1 15 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.253 -2.632 25428 5549 1 15 . 1 1 41 41 GLU N N 41 117.817 117.817 121.432 -3.615 25428 5550 1 15 . 1 1 41 41 GLU HA H 41 3.785 3.785 4.006 -0.221 25428 5551 1 15 . 1 1 41 41 GLU C C 41 176.503 176.503 178.259 -1.756 25428 5552 1 15 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.720 -3.309 25428 5553 1 15 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.176 -2.816 25428 5554 1 15 . 1 1 42 42 ALA N N 42 120.852 120.852 122.144 -1.292 25428 5555 1 15 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.148 -0.080 25428 5556 1 15 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.272 -2.295 25428 5557 1 15 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.241 -2.912 25428 5558 1 15 . 1 1 43 43 LEU N N 43 120.443 120.443 120.375 0.068 25428 5559 1 15 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.127 0.012 25428 5560 1 15 . 1 1 43 43 LEU C C 43 176.351 176.351 179.529 -3.178 25428 5561 1 15 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.873 -3.020 25428 5562 1 15 . 1 1 43 43 LEU CB C 43 39.586 39.586 42.011 -2.425 25428 5563 1 15 . 1 1 44 44 LYS N N 44 116.644 116.644 115.978 0.666 25428 5564 1 15 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.127 -0.102 25428 5565 1 15 . 1 1 44 44 LYS C C 44 174.406 174.406 177.701 -3.295 25428 5566 1 15 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.410 -2.979 25428 5567 1 15 . 1 1 44 44 LYS CB C 44 29.673 29.673 31.932 -2.259 25428 5568 1 15 . 1 1 45 45 GLU N N 45 115.882 115.882 116.492 -0.610 25428 5569 1 15 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.149 -0.135 25428 5570 1 15 . 1 1 45 45 GLU C C 45 174.383 174.383 176.309 -1.926 25428 5571 1 15 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.985 -2.704 25428 5572 1 15 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.856 -2.859 25428 5573 1 15 . 1 1 46 46 PHE N N 46 118.293 118.293 118.615 -0.322 25428 5574 1 15 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.387 -0.039 25428 5575 1 15 . 1 1 46 46 PHE C C 46 173.933 173.933 174.950 -1.017 25428 5576 1 15 . 1 1 46 46 PHE CA C 46 55.339 55.339 58.143 -2.804 25428 5577 1 15 . 1 1 46 46 PHE CB C 46 38.417 38.417 39.832 -1.415 25428 5578 1 15 . 1 1 47 47 ASN N N 47 117.552 117.552 118.491 -0.939 25428 5579 1 15 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.840 -0.233 25428 5580 1 15 . 1 1 47 47 ASN C C 47 172.500 172.500 176.188 -3.688 25428 5581 1 15 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.129 -2.469 25428 5582 1 15 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.912 -4.726 25428 5583 1 15 . 1 1 48 48 GLU N N 48 121.194 121.194 119.769 1.425 25428 5584 1 15 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.850 -0.172 25428 5585 1 15 . 1 1 48 48 GLU C C 48 174.313 174.313 178.381 -4.068 25428 5586 1 15 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.441 -2.055 25428 5587 1 15 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.570 -1.976 25428 5588 1 15 . 1 1 49 49 ASP N N 49 115.316 115.316 118.309 -2.993 25428 5589 1 15 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.444 -0.221 25428 5590 1 15 . 1 1 49 49 ASP C C 49 176.778 176.778 178.377 -1.599 25428 5591 1 15 . 1 1 49 49 ASP CA C 49 54.688 54.688 57.093 -2.405 25428 5592 1 15 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.756 -3.315 25428 5593 1 15 . 1 1 50 50 GLY N N 50 109.745 109.745 108.167 1.578 25428 5594 1 15 . 1 1 50 50 GLY C C 50 171.469 171.469 175.574 -4.105 25428 5595 1 15 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.971 -2.630 25428 5596 1 15 . 1 1 51 51 ALA N N 51 123.698 123.698 124.686 -0.988 25428 5597 1 15 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.779 -0.412 25428 5598 1 15 . 1 1 51 51 ALA C C 51 177.022 177.022 179.588 -2.566 25428 5599 1 15 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.786 -2.623 25428 5600 1 15 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.236 -1.426 25428 5601 1 15 . 1 1 52 52 LEU N N 52 115.728 115.728 118.961 -3.233 25428 5602 1 15 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.825 -0.037 25428 5603 1 15 . 1 1 52 52 LEU C C 52 176.760 176.760 179.004 -2.244 25428 5604 1 15 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.544 -2.283 25428 5605 1 15 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.638 -3.632 25428 5606 1 15 . 1 1 53 53 ALA N N 53 123.490 123.490 121.952 1.538 25428 5607 1 15 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.966 0.054 25428 5608 1 15 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.700 -2.262 25428 5609 1 15 . 1 1 53 53 ALA CB C 53 15.446 15.446 18.034 -2.588 25428 5610 1 15 . 1 1 54 54 VAL N N 54 119.648 119.648 118.984 0.664 25428 5611 1 15 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.043 0.035 25428 5612 1 15 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.418 -3.469 25428 5613 1 15 . 1 1 54 54 VAL CB C 54 28.357 28.357 31.268 -2.911 25428 5614 1 15 . 1 1 55 55 LEU N N 55 118.185 118.185 119.163 -0.978 25428 5615 1 15 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.939 -0.098 25428 5616 1 15 . 1 1 55 55 LEU C C 55 175.988 175.988 178.706 -2.718 25428 5617 1 15 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.785 -3.130 25428 5618 1 15 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.316 -2.466 25428 5619 1 15 . 1 1 56 56 GLN N N 56 120.271 120.271 119.522 0.749 25428 5620 1 15 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.820 -0.065 25428 5621 1 15 . 1 1 56 56 GLN C C 56 174.357 174.357 178.023 -3.666 25428 5622 1 15 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.713 -3.994 25428 5623 1 15 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.532 -3.315 25428 5624 1 15 . 1 1 57 57 GLN N N 57 117.610 117.610 118.269 -0.659 25428 5625 1 15 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.133 -0.138 25428 5626 1 15 . 1 1 57 57 GLN C C 57 177.125 177.125 178.022 -0.897 25428 5627 1 15 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.656 -2.596 25428 5628 1 15 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.964 -3.816 25428 5629 1 15 . 1 1 58 58 PHE N N 58 120.365 120.365 119.302 1.063 25428 5630 1 15 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.338 -0.138 25428 5631 1 15 . 1 1 58 58 PHE C C 58 172.960 172.960 177.824 -4.864 25428 5632 1 15 . 1 1 58 58 PHE CA C 58 58.622 58.622 61.243 -2.621 25428 5633 1 15 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.388 -2.079 25428 5634 1 15 . 1 1 59 59 LYS N N 59 117.757 117.757 118.403 -0.646 25428 5635 1 15 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.983 -0.356 25428 5636 1 15 . 1 1 59 59 LYS C C 59 174.015 174.015 177.873 -3.858 25428 5637 1 15 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.913 -2.686 25428 5638 1 15 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.115 -2.637 25428 5639 1 15 . 1 1 60 60 ASP N N 60 116.580 116.580 118.163 -1.583 25428 5640 1 15 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.703 -0.073 25428 5641 1 15 . 1 1 60 60 ASP C C 60 174.154 174.154 175.930 -1.776 25428 5642 1 15 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.353 -2.599 25428 5643 1 15 . 1 1 60 60 ASP CB C 60 38.013 38.013 41.547 -3.534 25428 5644 1 15 . 1 1 61 61 SER N N 61 117.142 117.142 114.843 2.299 25428 5645 1 15 . 1 1 61 61 SER HA H 61 4.383 4.383 4.596 -0.213 25428 5646 1 15 . 1 1 61 61 SER C C 61 169.538 169.538 173.359 -3.821 25428 5647 1 15 . 1 1 61 61 SER CA C 61 56.682 56.682 57.730 -1.048 25428 5648 1 15 . 1 1 61 61 SER CB C 61 61.698 61.698 64.772 -3.074 25428 5649 1 15 . 1 1 62 62 ASP N N 62 120.580 120.580 122.862 -2.282 25428 5650 1 15 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.644 -0.094 25428 5651 1 15 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.558 -3.292 25428 5652 1 15 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.263 -4.084 25428 5653 1 15 . 1 1 63 63 LEU N N 63 126.269 126.269 127.876 -1.607 25428 5654 1 15 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.175 -0.364 25428 5655 1 15 . 1 1 63 63 LEU CA C 63 51.921 51.921 53.369 -1.448 25428 5656 1 15 . 1 1 63 63 LEU CB C 63 39.003 39.003 40.307 -1.304 25428 5657 1 15 . 1 1 64 64 SER N N 64 116.388 116.388 116.526 -0.138 25428 5658 1 15 . 1 1 64 64 SER HA H 64 3.862 3.862 3.906 -0.044 25428 5659 1 15 . 1 1 64 64 SER C C 64 172.812 172.812 174.402 -1.590 25428 5660 1 15 . 1 1 64 64 SER CA C 64 58.914 58.914 58.658 0.256 25428 5661 1 15 . 1 1 64 64 SER CB C 64 59.851 59.851 61.916 -2.065 25428 5662 1 15 . 1 1 65 65 HIS N N 65 117.601 117.601 116.393 1.208 25428 5663 1 15 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.115 0.598 25428 5664 1 15 . 1 1 65 65 HIS C C 65 171.008 171.008 174.625 -3.617 25428 5665 1 15 . 1 1 65 65 HIS CA C 65 52.236 52.236 56.536 -4.300 25428 5666 1 15 . 1 1 65 65 HIS CB C 65 25.765 25.765 26.702 -0.937 25428 5667 1 15 . 1 1 66 66 VAL N N 66 121.466 121.466 120.348 1.118 25428 5668 1 15 . 1 1 66 66 VAL HA H 66 3.857 3.857 3.948 -0.091 25428 5669 1 15 . 1 1 66 66 VAL C C 66 172.336 172.336 177.065 -4.729 25428 5670 1 15 . 1 1 66 66 VAL CA C 66 59.147 59.147 63.127 -3.980 25428 5671 1 15 . 1 1 66 66 VAL CB C 66 29.577 29.577 32.592 -3.015 25428 5672 1 15 . 1 1 67 67 GLN N N 67 127.282 127.282 128.756 -1.474 25428 5673 1 15 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.073 0.076 25428 5674 1 15 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.368 -3.268 25428 5675 1 15 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.459 -2.144 25428 5676 1 15 . 1 1 68 68 ASN N N 68 117.044 117.044 117.197 -0.153 25428 5677 1 15 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.950 -0.015 25428 5678 1 15 . 1 1 68 68 ASN CA C 68 48.730 48.730 51.607 -2.877 25428 5679 1 15 . 1 1 68 68 ASN CB C 68 35.131 35.131 37.646 -2.515 25428 5680 1 15 . 1 1 69 69 LYS N N 69 125.145 125.145 122.682 2.463 25428 5681 1 15 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.068 -0.135 25428 5682 1 15 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.090 -1.485 25428 5683 1 15 . 1 1 69 69 LYS CB C 69 30.295 30.295 31.857 -1.562 25428 5684 1 15 . 1 1 70 70 SER N N 70 116.020 116.020 114.628 1.392 25428 5685 1 15 . 1 1 70 70 SER HA H 70 4.220 4.220 4.268 -0.048 25428 5686 1 15 . 1 1 70 70 SER CA C 70 59.898 59.898 61.815 -1.917 25428 5687 1 15 . 1 1 70 70 SER CB C 70 59.848 59.848 62.398 -2.550 25428 5688 1 15 . 1 1 71 71 ALA N N 71 123.444 123.444 125.020 -1.576 25428 5689 1 15 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.200 -0.226 25428 5690 1 15 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.814 -2.944 25428 5691 1 15 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.151 -3.084 25428 5692 1 15 . 1 1 72 72 PHE N N 72 120.178 120.178 119.459 0.719 25428 5693 1 15 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.252 -0.110 25428 5694 1 15 . 1 1 72 72 PHE C C 72 175.653 175.653 177.087 -1.434 25428 5695 1 15 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.193 -2.276 25428 5696 1 15 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.398 -2.044 25428 5697 1 15 . 1 1 73 73 LEU N N 73 121.921 121.921 121.661 0.260 25428 5698 1 15 . 1 1 73 73 LEU HA H 73 3.753 3.753 4.250 -0.497 25428 5699 1 15 . 1 1 73 73 LEU C C 73 175.921 175.921 178.476 -2.555 25428 5700 1 15 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.884 -3.200 25428 5701 1 15 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.645 -4.221 25428 5702 1 15 . 1 1 74 74 CYS N N 74 116.964 116.964 118.332 -1.368 25428 5703 1 15 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.030 0.082 25428 5704 1 15 . 1 1 74 74 CYS C C 74 174.901 174.901 176.616 -1.715 25428 5705 1 15 . 1 1 74 74 CYS CA C 74 61.104 61.104 63.953 -2.849 25428 5706 1 15 . 1 1 74 74 CYS CB C 74 23.632 23.632 27.158 -3.526 25428 5707 1 15 . 1 1 75 75 GLY N N 75 110.524 110.524 107.829 2.695 25428 5708 1 15 . 1 1 75 75 GLY C C 75 173.633 173.633 176.032 -2.399 25428 5709 1 15 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.367 -2.982 25428 5710 1 15 . 1 1 76 76 VAL N N 76 124.398 124.398 122.812 1.586 25428 5711 1 15 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.787 -0.276 25428 5712 1 15 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.288 -2.897 25428 5713 1 15 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.373 -2.874 25428 5714 1 15 . 1 1 77 77 MET N N 77 118.057 118.057 118.822 -0.765 25428 5715 1 15 . 1 1 77 77 MET HA H 77 3.755 3.755 4.105 -0.350 25428 5716 1 15 . 1 1 77 77 MET CA C 77 57.770 57.770 59.844 -2.074 25428 5717 1 15 . 1 1 77 77 MET CB C 77 31.029 31.029 32.019 -0.990 25428 5718 1 15 . 1 1 78 78 LYS N N 78 118.765 118.765 119.711 -0.946 25428 5719 1 15 . 1 1 78 78 LYS HA H 78 3.967 3.967 3.923 0.044 25428 5720 1 15 . 1 1 78 78 LYS CA C 78 57.157 57.157 60.560 -3.403 25428 5721 1 15 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.416 -2.824 25428 5722 1 15 . 1 1 79 79 THR N N 79 114.076 114.076 113.146 0.930 25428 5723 1 15 . 1 1 79 79 THR HA H 79 3.893 3.893 4.232 -0.339 25428 5724 1 15 . 1 1 79 79 THR CA C 79 62.715 62.715 64.961 -2.246 25428 5725 1 15 . 1 1 79 79 THR CB C 79 65.978 65.978 68.505 -2.527 25428 5726 1 15 . 1 1 80 80 TYR N N 80 123.194 123.194 119.446 3.748 25428 5727 1 15 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.393 -0.375 25428 5728 1 15 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.438 -2.606 25428 5729 1 15 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.615 -2.456 25428 5730 1 15 . 1 1 81 81 ARG N N 81 118.541 118.541 117.932 0.609 25428 5731 1 15 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.260 -0.204 25428 5732 1 15 . 1 1 81 81 ARG CA C 81 55.189 55.189 58.230 -3.041 25428 5733 1 15 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.821 -3.151 25428 5734 1 15 . 1 1 82 82 GLN N N 82 117.664 117.664 118.594 -0.930 25428 5735 1 15 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.587 -0.476 25428 5736 1 15 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.399 -1.519 25428 5737 1 15 . 1 1 82 82 GLN CB C 82 25.988 25.988 27.695 -1.707 25428 5738 1 15 . 1 1 83 83 ARG N N 83 119.552 119.552 118.519 1.033 25428 5739 1 15 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.538 -0.423 25428 5740 1 15 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.705 -1.816 25428 5741 1 15 . 1 1 83 83 ARG CB C 83 27.811 27.811 31.096 -3.285 25428 5742 1 15 . 1 1 84 84 GLU N N 84 121.362 121.362 122.405 -1.043 25428 5743 1 15 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.268 -0.135 25428 5744 1 15 . 1 1 84 84 GLU CA C 84 53.838 53.838 57.011 -3.173 25428 5745 1 15 . 1 1 84 84 GLU CB C 84 27.445 27.445 29.431 -1.986 25428 5746 1 16 . 1 1 2 2 SER N N 2 119.046 119.046 115.823 3.223 25428 5747 1 16 . 1 1 2 2 SER HA H 2 4.509 4.509 4.605 -0.096 25428 5748 1 16 . 1 1 2 2 SER C C 2 172.827 172.827 175.706 -2.879 25428 5749 1 16 . 1 1 2 2 SER CA C 2 55.872 55.872 57.854 -1.982 25428 5750 1 16 . 1 1 2 2 SER CB C 2 61.645 61.645 64.421 -2.776 25428 5751 1 16 . 1 1 3 3 GLU N N 3 121.401 121.401 120.130 1.271 25428 5752 1 16 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.177 -0.005 25428 5753 1 16 . 1 1 3 3 GLU C C 3 174.375 174.375 177.925 -3.550 25428 5754 1 16 . 1 1 3 3 GLU CA C 3 55.645 55.645 58.898 -3.253 25428 5755 1 16 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.243 -2.980 25428 5756 1 16 . 1 1 4 4 ASN N N 4 117.467 117.467 118.496 -1.029 25428 5757 1 16 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.268 0.271 25428 5758 1 16 . 1 1 4 4 ASN C C 4 172.792 172.792 176.932 -4.140 25428 5759 1 16 . 1 1 4 4 ASN CA C 4 51.568 51.568 54.929 -3.361 25428 5760 1 16 . 1 1 4 4 ASN CB C 4 36.628 36.628 37.739 -1.111 25428 5761 1 16 . 1 1 5 5 PHE N N 5 121.588 121.588 122.181 -0.593 25428 5762 1 16 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.104 -0.125 25428 5763 1 16 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.292 -2.613 25428 5764 1 16 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.830 -2.604 25428 5765 1 16 . 1 1 6 6 GLN N N 6 117.868 117.868 117.244 0.624 25428 5766 1 16 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.860 -0.382 25428 5767 1 16 . 1 1 6 6 GLN C C 6 174.670 174.670 178.398 -3.728 25428 5768 1 16 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.549 -3.248 25428 5769 1 16 . 1 1 6 6 GLN CB C 6 25.257 25.257 28.090 -2.833 25428 5770 1 16 . 1 1 7 7 THR N N 7 114.124 114.124 117.640 -3.516 25428 5771 1 16 . 1 1 7 7 THR HA H 7 3.862 3.862 3.917 -0.055 25428 5772 1 16 . 1 1 7 7 THR C C 7 173.949 173.949 176.431 -2.482 25428 5773 1 16 . 1 1 7 7 THR CA C 7 62.909 62.909 66.096 -3.187 25428 5774 1 16 . 1 1 7 7 THR CB C 7 65.814 65.814 68.560 -2.746 25428 5775 1 16 . 1 1 8 8 LEU N N 8 121.809 121.809 121.871 -0.062 25428 5776 1 16 . 1 1 8 8 LEU HA H 8 3.893 3.893 3.888 0.005 25428 5777 1 16 . 1 1 8 8 LEU C C 8 175.915 175.915 178.436 -2.521 25428 5778 1 16 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.994 -3.382 25428 5779 1 16 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.526 -2.499 25428 5780 1 16 . 1 1 9 9 LEU N N 9 119.407 119.407 117.644 1.763 25428 5781 1 16 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.004 -0.005 25428 5782 1 16 . 1 1 9 9 LEU C C 9 179.642 179.642 179.620 0.022 25428 5783 1 16 . 1 1 9 9 LEU CA C 9 54.393 54.393 57.299 -2.906 25428 5784 1 16 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.590 -3.247 25428 5785 1 16 . 1 1 10 10 ASP N N 10 122.019 122.019 118.068 3.951 25428 5786 1 16 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.557 -0.328 25428 5787 1 16 . 1 1 10 10 ASP C C 10 174.743 174.743 176.159 -1.416 25428 5788 1 16 . 1 1 10 10 ASP CA C 10 53.829 53.829 54.924 -1.095 25428 5789 1 16 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.001 -4.036 25428 5790 1 16 . 1 1 11 11 ALA N N 11 121.088 121.088 120.191 0.897 25428 5791 1 16 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.526 -0.318 25428 5792 1 16 . 1 1 11 11 ALA C C 11 174.553 174.553 177.662 -3.109 25428 5793 1 16 . 1 1 11 11 ALA CA C 11 49.682 49.682 51.987 -2.305 25428 5794 1 16 . 1 1 11 11 ALA CB C 11 15.391 15.391 19.256 -3.865 25428 5795 1 16 . 1 1 12 12 GLY N N 12 104.096 104.096 105.951 -1.855 25428 5796 1 16 . 1 1 12 12 GLY C C 12 172.183 172.183 174.963 -2.780 25428 5797 1 16 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.574 -2.424 25428 5798 1 16 . 1 1 13 13 LEU N N 13 120.523 120.523 123.369 -2.846 25428 5799 1 16 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.663 -0.298 25428 5800 1 16 . 1 1 13 13 LEU CA C 13 50.153 50.153 52.767 -2.614 25428 5801 1 16 . 1 1 13 13 LEU CB C 13 38.486 38.486 41.761 -3.275 25428 5802 1 16 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.501 -0.150 25428 5803 1 16 . 1 1 14 14 PRO C C 14 174.611 174.611 177.484 -2.873 25428 5804 1 16 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.593 -2.865 25428 5805 1 16 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.781 -2.978 25428 5806 1 16 . 1 1 15 15 GLN N N 15 124.429 124.429 122.066 2.363 25428 5807 1 16 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.994 -0.305 25428 5808 1 16 . 1 1 15 15 GLN C C 15 174.848 174.848 177.732 -2.884 25428 5809 1 16 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.194 -2.344 25428 5810 1 16 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.641 -3.308 25428 5811 1 16 . 1 1 16 16 LYS N N 16 115.638 115.638 116.905 -1.267 25428 5812 1 16 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.112 -0.090 25428 5813 1 16 . 1 1 16 16 LYS C C 16 176.800 176.800 179.123 -2.323 25428 5814 1 16 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.511 -2.887 25428 5815 1 16 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.764 -1.927 25428 5816 1 16 . 1 1 17 17 VAL N N 17 118.513 118.513 119.693 -1.180 25428 5817 1 16 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.697 -0.307 25428 5818 1 16 . 1 1 17 17 VAL C C 17 173.946 173.946 177.712 -3.766 25428 5819 1 16 . 1 1 17 17 VAL CA C 17 62.811 62.811 66.309 -3.498 25428 5820 1 16 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.692 -2.604 25428 5821 1 16 . 1 1 18 18 ALA N N 18 121.811 121.811 122.671 -0.860 25428 5822 1 16 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.920 -0.187 25428 5823 1 16 . 1 1 18 18 ALA C C 18 176.571 176.571 179.851 -3.280 25428 5824 1 16 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.714 -3.195 25428 5825 1 16 . 1 1 18 18 ALA CB C 18 15.616 15.616 18.108 -2.492 25428 5826 1 16 . 1 1 19 19 GLU N N 19 116.183 116.183 118.480 -2.297 25428 5827 1 16 . 1 1 19 19 GLU HA H 19 3.913 3.913 3.988 -0.075 25428 5828 1 16 . 1 1 19 19 GLU C C 19 176.184 176.184 179.262 -3.078 25428 5829 1 16 . 1 1 19 19 GLU CA C 19 56.832 56.832 60.012 -3.180 25428 5830 1 16 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.521 -2.407 25428 5831 1 16 . 1 1 20 20 LYS N N 20 120.202 120.202 117.787 2.415 25428 5832 1 16 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.094 -0.031 25428 5833 1 16 . 1 1 20 20 LYS C C 20 175.707 175.707 178.931 -3.224 25428 5834 1 16 . 1 1 20 20 LYS CA C 20 54.340 54.340 58.632 -4.292 25428 5835 1 16 . 1 1 20 20 LYS CB C 20 27.152 27.152 31.868 -4.716 25428 5836 1 16 . 1 1 21 21 LEU N N 21 120.188 120.188 119.877 0.311 25428 5837 1 16 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.105 -0.201 25428 5838 1 16 . 1 1 21 21 LEU C C 21 175.138 175.138 178.217 -3.079 25428 5839 1 16 . 1 1 21 21 LEU CA C 21 54.762 54.762 56.945 -2.183 25428 5840 1 16 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.058 -3.669 25428 5841 1 16 . 1 1 22 22 ASP N N 22 118.729 118.729 121.165 -2.436 25428 5842 1 16 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.693 -0.268 25428 5843 1 16 . 1 1 22 22 ASP C C 22 175.147 175.147 178.702 -3.555 25428 5844 1 16 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.635 -2.359 25428 5845 1 16 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.692 -1.389 25428 5846 1 16 . 1 1 23 23 GLU N N 23 117.201 117.201 119.581 -2.380 25428 5847 1 16 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.088 -0.199 25428 5848 1 16 . 1 1 23 23 GLU C C 23 177.140 177.140 179.196 -2.056 25428 5849 1 16 . 1 1 23 23 GLU CA C 23 56.749 56.749 58.847 -2.098 25428 5850 1 16 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.615 -2.574 25428 5851 1 16 . 1 1 24 24 ILE N N 24 121.465 121.465 119.063 2.402 25428 5852 1 16 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.662 -0.055 25428 5853 1 16 . 1 1 24 24 ILE C C 24 174.918 174.918 177.419 -2.501 25428 5854 1 16 . 1 1 24 24 ILE CA C 24 63.184 63.184 64.484 -1.300 25428 5855 1 16 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.772 -2.805 25428 5856 1 16 . 1 1 25 25 TYR N N 25 120.955 120.955 114.268 6.687 25428 5857 1 16 . 1 1 25 25 TYR HA H 25 4.812 4.812 5.147 -0.335 25428 5858 1 16 . 1 1 25 25 TYR C C 25 179.018 179.018 176.843 2.175 25428 5859 1 16 . 1 1 25 25 TYR CA C 25 56.172 56.172 56.803 -0.631 25428 5860 1 16 . 1 1 25 25 TYR CB C 25 34.419 34.419 37.357 -2.938 25428 5861 1 16 . 1 1 26 26 VAL N N 26 123.429 123.429 119.010 4.419 25428 5862 1 16 . 1 1 26 26 VAL HA H 26 3.591 3.591 4.011 -0.420 25428 5863 1 16 . 1 1 26 26 VAL C C 26 175.383 175.383 177.109 -1.726 25428 5864 1 16 . 1 1 26 26 VAL CA C 26 63.501 63.501 63.749 -0.248 25428 5865 1 16 . 1 1 26 26 VAL CB C 26 28.993 28.993 32.422 -3.429 25428 5866 1 16 . 1 1 27 27 ALA N N 27 120.082 120.082 122.129 -2.047 25428 5867 1 16 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.299 -0.094 25428 5868 1 16 . 1 1 27 27 ALA C C 27 175.640 175.640 178.071 -2.431 25428 5869 1 16 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.901 -2.631 25428 5870 1 16 . 1 1 27 27 ALA CB C 27 15.992 15.992 19.141 -3.149 25428 5871 1 16 . 1 1 28 28 GLY N N 28 105.543 105.543 105.380 0.163 25428 5872 1 16 . 1 1 28 28 GLY C C 28 172.315 172.315 175.077 -2.762 25428 5873 1 16 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.090 -2.551 25428 5874 1 16 . 1 1 29 29 LEU N N 29 119.155 119.155 119.614 -0.459 25428 5875 1 16 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.294 -0.289 25428 5876 1 16 . 1 1 29 29 LEU C C 29 173.807 173.807 176.940 -3.133 25428 5877 1 16 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.335 -2.255 25428 5878 1 16 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.489 -2.703 25428 5879 1 16 . 1 1 30 30 VAL N N 30 109.334 109.334 109.654 -0.320 25428 5880 1 16 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.927 -0.711 25428 5881 1 16 . 1 1 30 30 VAL C C 30 170.244 170.244 174.215 -3.971 25428 5882 1 16 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.627 -3.183 25428 5883 1 16 . 1 1 30 30 VAL CB C 30 32.365 32.365 35.769 -3.404 25428 5884 1 16 . 1 1 31 31 ALA N N 31 126.238 126.238 123.811 2.427 25428 5885 1 16 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.744 -0.185 25428 5886 1 16 . 1 1 31 31 ALA C C 31 176.016 176.016 178.484 -2.468 25428 5887 1 16 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.678 -3.208 25428 5888 1 16 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.541 -2.501 25428 5889 1 16 . 1 1 32 32 HIS N N 32 120.680 120.680 118.794 1.886 25428 5890 1 16 . 1 1 32 32 HIS HA H 32 3.990 3.990 2.816 1.174 25428 5891 1 16 . 1 1 32 32 HIS C C 32 174.379 174.379 175.592 -1.213 25428 5892 1 16 . 1 1 32 32 HIS CA C 32 56.668 56.668 57.520 -0.852 25428 5893 1 16 . 1 1 32 32 HIS CB C 32 26.452 26.452 28.936 -2.485 25428 5894 1 16 . 1 1 33 33 SER N N 33 109.997 109.997 112.269 -2.272 25428 5895 1 16 . 1 1 33 33 SER HA H 33 4.125 4.125 4.473 -0.348 25428 5896 1 16 . 1 1 33 33 SER C C 33 172.444 172.444 174.744 -2.300 25428 5897 1 16 . 1 1 33 33 SER CA C 33 56.158 56.158 56.889 -0.731 25428 5898 1 16 . 1 1 33 33 SER CB C 33 60.045 60.045 62.825 -2.780 25428 5899 1 16 . 1 1 34 34 ASP N N 34 119.785 119.785 121.475 -1.690 25428 5900 1 16 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.566 -0.045 25428 5901 1 16 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.831 -2.315 25428 5902 1 16 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.389 -1.899 25428 5903 1 16 . 1 1 35 35 LEU N N 35 118.248 118.248 118.270 -0.022 25428 5904 1 16 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.425 0.028 25428 5905 1 16 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.952 -4.588 25428 5906 1 16 . 1 1 35 35 LEU CB C 35 38.642 38.642 42.415 -3.773 25428 5907 1 16 . 1 1 36 36 ASP N N 36 122.922 122.922 117.140 5.782 25428 5908 1 16 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.813 -0.388 25428 5909 1 16 . 1 1 36 36 ASP C C 36 173.050 173.050 176.571 -3.521 25428 5910 1 16 . 1 1 36 36 ASP CA C 36 49.746 49.746 53.016 -3.270 25428 5911 1 16 . 1 1 36 36 ASP CB C 36 39.169 39.169 43.283 -4.114 25428 5912 1 16 . 1 1 37 37 GLU N N 37 119.277 119.277 121.385 -2.108 25428 5913 1 16 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.027 -0.201 25428 5914 1 16 . 1 1 37 37 GLU C C 37 175.878 175.878 178.309 -2.431 25428 5915 1 16 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.933 -3.009 25428 5916 1 16 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.771 -3.360 25428 5917 1 16 . 1 1 38 38 ARG N N 38 117.965 117.965 117.732 0.233 25428 5918 1 16 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.054 -0.122 25428 5919 1 16 . 1 1 38 38 ARG C C 38 176.285 176.285 178.607 -2.322 25428 5920 1 16 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.436 -2.630 25428 5921 1 16 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.764 1.202 25428 5922 1 16 . 1 1 39 39 ALA N N 39 123.247 123.247 123.115 0.132 25428 5923 1 16 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.144 -0.266 25428 5924 1 16 . 1 1 39 39 ALA C C 39 175.872 175.872 179.126 -3.254 25428 5925 1 16 . 1 1 39 39 ALA CA C 39 52.242 52.242 55.081 -2.838 25428 5926 1 16 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.528 -3.337 25428 5927 1 16 . 1 1 40 40 ILE N N 40 116.462 116.462 119.291 -2.829 25428 5928 1 16 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.610 -0.166 25428 5929 1 16 . 1 1 40 40 ILE C C 40 175.056 175.056 177.960 -2.904 25428 5930 1 16 . 1 1 40 40 ILE CA C 40 60.848 60.848 65.706 -4.858 25428 5931 1 16 . 1 1 40 40 ILE CB C 40 33.621 33.621 37.669 -4.048 25428 5932 1 16 . 1 1 41 41 GLU N N 41 117.817 117.817 119.724 -1.907 25428 5933 1 16 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.892 -0.107 25428 5934 1 16 . 1 1 41 41 GLU C C 41 176.503 176.503 178.783 -2.280 25428 5935 1 16 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.699 -3.288 25428 5936 1 16 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.747 -3.387 25428 5937 1 16 . 1 1 42 42 ALA N N 42 120.852 120.852 121.844 -0.992 25428 5938 1 16 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.066 0.002 25428 5939 1 16 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.635 -2.658 25428 5940 1 16 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.686 -3.357 25428 5941 1 16 . 1 1 43 43 LEU N N 43 120.443 120.443 119.802 0.641 25428 5942 1 16 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.193 -0.054 25428 5943 1 16 . 1 1 43 43 LEU C C 43 176.351 176.351 179.796 -3.445 25428 5944 1 16 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.842 -2.989 25428 5945 1 16 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.774 -2.188 25428 5946 1 16 . 1 1 44 44 LYS N N 44 116.644 116.644 117.051 -0.407 25428 5947 1 16 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.108 -0.083 25428 5948 1 16 . 1 1 44 44 LYS C C 44 174.406 174.406 177.530 -3.124 25428 5949 1 16 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.400 -2.969 25428 5950 1 16 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.069 -2.396 25428 5951 1 16 . 1 1 45 45 GLU N N 45 115.882 115.882 116.356 -0.474 25428 5952 1 16 . 1 1 45 45 GLU HA H 45 4.014 4.014 3.994 0.020 25428 5953 1 16 . 1 1 45 45 GLU C C 45 174.383 174.383 176.827 -2.444 25428 5954 1 16 . 1 1 45 45 GLU CA C 45 54.281 54.281 57.285 -3.004 25428 5955 1 16 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.663 -2.667 25428 5956 1 16 . 1 1 46 46 PHE N N 46 118.293 118.293 118.443 -0.150 25428 5957 1 16 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.479 -0.131 25428 5958 1 16 . 1 1 46 46 PHE C C 46 173.933 173.933 175.375 -1.442 25428 5959 1 16 . 1 1 46 46 PHE CA C 46 55.339 55.339 57.619 -2.280 25428 5960 1 16 . 1 1 46 46 PHE CB C 46 38.417 38.417 39.571 -1.153 25428 5961 1 16 . 1 1 47 47 ASN N N 47 117.552 117.552 121.338 -3.786 25428 5962 1 16 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.606 0.001 25428 5963 1 16 . 1 1 47 47 ASN C C 47 172.500 172.500 176.441 -3.941 25428 5964 1 16 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.845 -3.185 25428 5965 1 16 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.224 -4.038 25428 5966 1 16 . 1 1 48 48 GLU N N 48 121.194 121.194 119.717 1.477 25428 5967 1 16 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.936 -0.258 25428 5968 1 16 . 1 1 48 48 GLU C C 48 174.313 174.313 178.321 -4.008 25428 5969 1 16 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.457 -2.071 25428 5970 1 16 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.620 -2.026 25428 5971 1 16 . 1 1 49 49 ASP N N 49 115.316 115.316 117.845 -2.529 25428 5972 1 16 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.516 -0.293 25428 5973 1 16 . 1 1 49 49 ASP C C 49 176.778 176.778 178.572 -1.794 25428 5974 1 16 . 1 1 49 49 ASP CA C 49 54.688 54.688 57.315 -2.627 25428 5975 1 16 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.462 -3.021 25428 5976 1 16 . 1 1 50 50 GLY N N 50 109.745 109.745 107.656 2.089 25428 5977 1 16 . 1 1 50 50 GLY C C 50 171.469 171.469 175.582 -4.113 25428 5978 1 16 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.298 -1.957 25428 5979 1 16 . 1 1 51 51 ALA N N 51 123.698 123.698 125.073 -1.375 25428 5980 1 16 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.716 -0.349 25428 5981 1 16 . 1 1 51 51 ALA C C 51 177.022 177.022 179.386 -2.364 25428 5982 1 16 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.640 -2.477 25428 5983 1 16 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.221 -1.411 25428 5984 1 16 . 1 1 52 52 LEU N N 52 115.728 115.728 118.864 -3.136 25428 5985 1 16 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.788 -0.000 25428 5986 1 16 . 1 1 52 52 LEU C C 52 176.760 176.760 178.784 -2.024 25428 5987 1 16 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.919 -2.658 25428 5988 1 16 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.572 -3.566 25428 5989 1 16 . 1 1 53 53 ALA N N 53 123.490 123.490 121.965 1.525 25428 5990 1 16 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.940 0.080 25428 5991 1 16 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.950 -2.512 25428 5992 1 16 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.973 -2.527 25428 5993 1 16 . 1 1 54 54 VAL N N 54 119.648 119.648 118.084 1.564 25428 5994 1 16 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.025 0.053 25428 5995 1 16 . 1 1 54 54 VAL CA C 54 62.949 62.949 65.820 -2.871 25428 5996 1 16 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.423 -2.066 25428 5997 1 16 . 1 1 55 55 LEU N N 55 118.185 118.185 118.828 -0.643 25428 5998 1 16 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.910 -0.069 25428 5999 1 16 . 1 1 55 55 LEU C C 55 175.988 175.988 178.850 -2.862 25428 6000 1 16 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.759 -3.104 25428 6001 1 16 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.347 -2.497 25428 6002 1 16 . 1 1 56 56 GLN N N 56 120.271 120.271 118.566 1.705 25428 6003 1 16 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.883 -0.128 25428 6004 1 16 . 1 1 56 56 GLN C C 56 174.357 174.357 178.168 -3.811 25428 6005 1 16 . 1 1 56 56 GLN CA C 56 55.719 55.719 58.731 -3.012 25428 6006 1 16 . 1 1 56 56 GLN CB C 56 25.217 25.217 27.473 -2.256 25428 6007 1 16 . 1 1 57 57 GLN N N 57 117.610 117.610 118.857 -1.247 25428 6008 1 16 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.186 -0.191 25428 6009 1 16 . 1 1 57 57 GLN C C 57 177.125 177.125 177.854 -0.729 25428 6010 1 16 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.393 -2.333 25428 6011 1 16 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.996 -3.848 25428 6012 1 16 . 1 1 58 58 PHE N N 58 120.365 120.365 120.619 -0.254 25428 6013 1 16 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.444 -0.244 25428 6014 1 16 . 1 1 58 58 PHE C C 58 172.960 172.960 177.022 -4.062 25428 6015 1 16 . 1 1 58 58 PHE CA C 58 58.622 58.622 59.951 -1.329 25428 6016 1 16 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.391 -2.082 25428 6017 1 16 . 1 1 59 59 LYS N N 59 117.757 117.757 117.824 -0.067 25428 6018 1 16 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.784 -0.157 25428 6019 1 16 . 1 1 59 59 LYS C C 59 174.015 174.015 177.690 -3.675 25428 6020 1 16 . 1 1 59 59 LYS CA C 59 56.227 56.227 59.422 -3.195 25428 6021 1 16 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.285 -2.807 25428 6022 1 16 . 1 1 60 60 ASP N N 60 116.580 116.580 116.872 -0.292 25428 6023 1 16 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.660 -0.030 25428 6024 1 16 . 1 1 60 60 ASP C C 60 174.154 174.154 176.264 -2.110 25428 6025 1 16 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.305 -2.551 25428 6026 1 16 . 1 1 60 60 ASP CB C 60 38.013 38.013 41.581 -3.568 25428 6027 1 16 . 1 1 61 61 SER N N 61 117.142 117.142 114.843 2.299 25428 6028 1 16 . 1 1 61 61 SER HA H 61 4.383 4.383 4.446 -0.063 25428 6029 1 16 . 1 1 61 61 SER C C 61 169.538 169.538 174.390 -4.852 25428 6030 1 16 . 1 1 61 61 SER CA C 61 56.682 56.682 58.263 -1.581 25428 6031 1 16 . 1 1 61 61 SER CB C 61 61.698 61.698 64.783 -3.085 25428 6032 1 16 . 1 1 62 62 ASP N N 62 120.580 120.580 121.206 -0.626 25428 6033 1 16 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.710 -0.160 25428 6034 1 16 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.452 -3.186 25428 6035 1 16 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.602 -4.423 25428 6036 1 16 . 1 1 63 63 LEU N N 63 126.269 126.269 125.579 0.690 25428 6037 1 16 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.363 -0.552 25428 6038 1 16 . 1 1 63 63 LEU CA C 63 51.921 51.921 53.669 -1.748 25428 6039 1 16 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.367 -2.364 25428 6040 1 16 . 1 1 64 64 SER N N 64 116.388 116.388 114.636 1.752 25428 6041 1 16 . 1 1 64 64 SER HA H 64 3.862 3.862 4.140 -0.278 25428 6042 1 16 . 1 1 64 64 SER C C 64 172.812 172.812 175.493 -2.681 25428 6043 1 16 . 1 1 64 64 SER CA C 64 58.914 58.914 60.204 -1.290 25428 6044 1 16 . 1 1 64 64 SER CB C 64 59.851 59.851 63.299 -3.448 25428 6045 1 16 . 1 1 65 65 HIS N N 65 117.601 117.601 116.595 1.006 25428 6046 1 16 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.757 -0.044 25428 6047 1 16 . 1 1 65 65 HIS C C 65 171.008 171.008 174.462 -3.454 25428 6048 1 16 . 1 1 65 65 HIS CA C 65 52.236 52.236 54.755 -2.519 25428 6049 1 16 . 1 1 65 65 HIS CB C 65 25.765 25.765 30.750 -4.985 25428 6050 1 16 . 1 1 66 66 VAL N N 66 121.466 121.466 121.553 -0.087 25428 6051 1 16 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.128 -0.271 25428 6052 1 16 . 1 1 66 66 VAL C C 66 172.336 172.336 175.642 -3.306 25428 6053 1 16 . 1 1 66 66 VAL CA C 66 59.147 59.147 63.292 -4.145 25428 6054 1 16 . 1 1 66 66 VAL CB C 66 29.577 29.577 33.191 -3.614 25428 6055 1 16 . 1 1 67 67 GLN N N 67 127.282 127.282 122.445 4.837 25428 6056 1 16 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.532 -0.383 25428 6057 1 16 . 1 1 67 67 GLN CA C 67 55.100 55.100 56.012 -0.912 25428 6058 1 16 . 1 1 67 67 GLN CB C 67 26.315 26.315 29.921 -3.606 25428 6059 1 16 . 1 1 68 68 ASN N N 68 117.044 117.044 121.602 -4.558 25428 6060 1 16 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.663 0.272 25428 6061 1 16 . 1 1 68 68 ASN CA C 68 48.730 48.730 53.315 -4.585 25428 6062 1 16 . 1 1 68 68 ASN CB C 68 35.131 35.131 38.780 -3.649 25428 6063 1 16 . 1 1 69 69 LYS N N 69 125.145 125.145 124.153 0.992 25428 6064 1 16 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.189 -0.256 25428 6065 1 16 . 1 1 69 69 LYS CA C 69 57.605 57.605 58.815 -1.210 25428 6066 1 16 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.081 -1.786 25428 6067 1 16 . 1 1 70 70 SER N N 70 116.020 116.020 115.440 0.580 25428 6068 1 16 . 1 1 70 70 SER HA H 70 4.220 4.220 4.101 0.119 25428 6069 1 16 . 1 1 70 70 SER CA C 70 59.898 59.898 62.225 -2.327 25428 6070 1 16 . 1 1 70 70 SER CB C 70 59.848 59.848 62.409 -2.561 25428 6071 1 16 . 1 1 71 71 ALA N N 71 123.444 123.444 123.563 -0.119 25428 6072 1 16 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.224 -0.250 25428 6073 1 16 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.313 -2.443 25428 6074 1 16 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.283 -3.216 25428 6075 1 16 . 1 1 72 72 PHE N N 72 120.178 120.178 119.302 0.876 25428 6076 1 16 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.331 -0.189 25428 6077 1 16 . 1 1 72 72 PHE C C 72 175.653 175.653 176.726 -1.073 25428 6078 1 16 . 1 1 72 72 PHE CA C 72 58.917 58.917 60.882 -1.965 25428 6079 1 16 . 1 1 72 72 PHE CB C 72 37.354 37.354 40.018 -2.664 25428 6080 1 16 . 1 1 73 73 LEU N N 73 121.921 121.921 121.893 0.028 25428 6081 1 16 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.415 0.338 25428 6082 1 16 . 1 1 73 73 LEU C C 73 175.921 175.921 178.279 -2.358 25428 6083 1 16 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.425 -2.741 25428 6084 1 16 . 1 1 73 73 LEU CB C 73 37.424 37.424 40.984 -3.560 25428 6085 1 16 . 1 1 74 74 CYS N N 74 116.964 116.964 116.002 0.962 25428 6086 1 16 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.147 -0.035 25428 6087 1 16 . 1 1 74 74 CYS C C 74 174.901 174.901 177.167 -2.266 25428 6088 1 16 . 1 1 74 74 CYS CA C 74 61.104 61.104 62.432 -1.328 25428 6089 1 16 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.458 -2.826 25428 6090 1 16 . 1 1 75 75 GLY N N 75 110.524 110.524 108.960 1.564 25428 6091 1 16 . 1 1 75 75 GLY C C 75 173.633 173.633 175.701 -2.068 25428 6092 1 16 . 1 1 75 75 GLY CA C 75 44.385 44.385 46.752 -2.367 25428 6093 1 16 . 1 1 76 76 VAL N N 76 124.398 124.398 123.728 0.670 25428 6094 1 16 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.459 0.052 25428 6095 1 16 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.903 -3.511 25428 6096 1 16 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.841 -3.342 25428 6097 1 16 . 1 1 77 77 MET N N 77 118.057 118.057 116.793 1.264 25428 6098 1 16 . 1 1 77 77 MET HA H 77 3.755 3.755 3.980 -0.225 25428 6099 1 16 . 1 1 77 77 MET CA C 77 57.770 57.770 59.861 -2.091 25428 6100 1 16 . 1 1 77 77 MET CB C 77 31.029 31.029 31.946 -0.917 25428 6101 1 16 . 1 1 78 78 LYS N N 78 118.765 118.765 119.922 -1.157 25428 6102 1 16 . 1 1 78 78 LYS HA H 78 3.967 3.967 3.995 -0.028 25428 6103 1 16 . 1 1 78 78 LYS CA C 78 57.157 57.157 60.295 -3.138 25428 6104 1 16 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.352 -2.760 25428 6105 1 16 . 1 1 79 79 THR N N 79 114.076 114.076 114.655 -0.579 25428 6106 1 16 . 1 1 79 79 THR HA H 79 3.893 3.893 4.063 -0.170 25428 6107 1 16 . 1 1 79 79 THR CA C 79 62.715 62.715 66.147 -3.432 25428 6108 1 16 . 1 1 79 79 THR CB C 79 65.978 65.978 68.660 -2.682 25428 6109 1 16 . 1 1 80 80 TYR N N 80 123.194 123.194 119.619 3.575 25428 6110 1 16 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.201 -0.183 25428 6111 1 16 . 1 1 80 80 TYR CA C 80 58.832 58.832 62.044 -3.212 25428 6112 1 16 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.584 -2.425 25428 6113 1 16 . 1 1 81 81 ARG N N 81 118.541 118.541 117.909 0.632 25428 6114 1 16 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.199 -0.143 25428 6115 1 16 . 1 1 81 81 ARG CA C 81 55.189 55.189 58.759 -3.570 25428 6116 1 16 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.064 -2.393 25428 6117 1 16 . 1 1 82 82 GLN N N 82 117.664 117.664 117.641 0.023 25428 6118 1 16 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.508 -0.397 25428 6119 1 16 . 1 1 82 82 GLN CA C 82 53.880 53.880 54.490 -0.610 25428 6120 1 16 . 1 1 82 82 GLN CB C 82 25.988 25.988 28.830 -2.842 25428 6121 1 16 . 1 1 83 83 ARG N N 83 119.552 119.552 122.066 -2.514 25428 6122 1 16 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.212 -0.097 25428 6123 1 16 . 1 1 83 83 ARG CA C 83 53.889 53.889 56.027 -2.138 25428 6124 1 16 . 1 1 83 83 ARG CB C 83 27.811 27.811 28.834 -1.023 25428 6125 1 16 . 1 1 84 84 GLU N N 84 121.362 121.362 124.567 -3.205 25428 6126 1 16 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.341 -0.208 25428 6127 1 16 . 1 1 84 84 GLU CA C 84 53.838 53.838 56.309 -2.471 25428 6128 1 16 . 1 1 84 84 GLU CB C 84 27.445 27.445 29.288 -1.843 25428 6129 1 17 . 1 1 2 2 SER N N 2 119.046 119.046 115.616 3.430 25428 6130 1 17 . 1 1 2 2 SER HA H 2 4.509 4.509 4.888 -0.379 25428 6131 1 17 . 1 1 2 2 SER C C 2 172.827 172.827 174.993 -2.166 25428 6132 1 17 . 1 1 2 2 SER CA C 2 55.872 55.872 55.939 -0.067 25428 6133 1 17 . 1 1 2 2 SER CB C 2 61.645 61.645 64.249 -2.603 25428 6134 1 17 . 1 1 3 3 GLU N N 3 121.401 121.401 121.320 0.081 25428 6135 1 17 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.163 0.009 25428 6136 1 17 . 1 1 3 3 GLU C C 3 174.375 174.375 177.845 -3.470 25428 6137 1 17 . 1 1 3 3 GLU CA C 3 55.645 55.645 58.779 -3.134 25428 6138 1 17 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.384 -3.122 25428 6139 1 17 . 1 1 4 4 ASN N N 4 117.467 117.467 117.751 -0.284 25428 6140 1 17 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.453 0.086 25428 6141 1 17 . 1 1 4 4 ASN C C 4 172.792 172.792 176.657 -3.865 25428 6142 1 17 . 1 1 4 4 ASN CA C 4 51.568 51.568 54.826 -3.258 25428 6143 1 17 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.036 -1.408 25428 6144 1 17 . 1 1 5 5 PHE N N 5 121.588 121.588 122.122 -0.534 25428 6145 1 17 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.045 -0.065 25428 6146 1 17 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.734 -3.055 25428 6147 1 17 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.593 -2.367 25428 6148 1 17 . 1 1 6 6 GLN N N 6 117.868 117.868 117.064 0.804 25428 6149 1 17 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.788 -0.310 25428 6150 1 17 . 1 1 6 6 GLN C C 6 174.670 174.670 178.034 -3.364 25428 6151 1 17 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.898 -3.597 25428 6152 1 17 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.705 -2.448 25428 6153 1 17 . 1 1 7 7 THR N N 7 114.124 114.124 117.176 -3.052 25428 6154 1 17 . 1 1 7 7 THR HA H 7 3.862 3.862 3.968 -0.106 25428 6155 1 17 . 1 1 7 7 THR C C 7 173.949 173.949 177.180 -3.231 25428 6156 1 17 . 1 1 7 7 THR CA C 7 62.909 62.909 65.845 -2.936 25428 6157 1 17 . 1 1 7 7 THR CB C 7 65.814 65.814 68.642 -2.829 25428 6158 1 17 . 1 1 8 8 LEU N N 8 121.809 121.809 122.848 -1.039 25428 6159 1 17 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.061 -0.168 25428 6160 1 17 . 1 1 8 8 LEU C C 8 175.915 175.915 179.073 -3.158 25428 6161 1 17 . 1 1 8 8 LEU CA C 8 54.612 54.612 58.221 -3.610 25428 6162 1 17 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.431 -2.404 25428 6163 1 17 . 1 1 9 9 LEU N N 9 119.407 119.407 117.503 1.904 25428 6164 1 17 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.008 -0.009 25428 6165 1 17 . 1 1 9 9 LEU C C 9 179.642 179.642 178.189 1.453 25428 6166 1 17 . 1 1 9 9 LEU CA C 9 54.393 54.393 57.257 -2.864 25428 6167 1 17 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.481 -3.138 25428 6168 1 17 . 1 1 10 10 ASP N N 10 122.019 122.019 116.819 5.200 25428 6169 1 17 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.629 -0.400 25428 6170 1 17 . 1 1 10 10 ASP C C 10 174.743 174.743 176.406 -1.663 25428 6171 1 17 . 1 1 10 10 ASP CA C 10 53.829 53.829 54.124 -0.295 25428 6172 1 17 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.647 -4.682 25428 6173 1 17 . 1 1 11 11 ALA N N 11 121.088 121.088 121.189 -0.101 25428 6174 1 17 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.511 -0.303 25428 6175 1 17 . 1 1 11 11 ALA C C 11 174.553 174.553 177.539 -2.986 25428 6176 1 17 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.399 -2.717 25428 6177 1 17 . 1 1 11 11 ALA CB C 11 15.391 15.391 19.293 -3.902 25428 6178 1 17 . 1 1 12 12 GLY N N 12 104.096 104.096 105.780 -1.684 25428 6179 1 17 . 1 1 12 12 GLY C C 12 172.183 172.183 173.977 -1.794 25428 6180 1 17 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.932 -2.782 25428 6181 1 17 . 1 1 13 13 LEU N N 13 120.523 120.523 120.481 0.042 25428 6182 1 17 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.876 -0.511 25428 6183 1 17 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.594 -1.442 25428 6184 1 17 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.865 -4.380 25428 6185 1 17 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.690 -0.339 25428 6186 1 17 . 1 1 14 14 PRO C C 14 174.611 174.611 177.403 -2.792 25428 6187 1 17 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.168 -2.440 25428 6188 1 17 . 1 1 14 14 PRO CB C 14 29.803 29.803 33.108 -3.305 25428 6189 1 17 . 1 1 15 15 GLN N N 15 124.429 124.429 121.727 2.702 25428 6190 1 17 . 1 1 15 15 GLN HA H 15 3.689 3.689 4.046 -0.357 25428 6191 1 17 . 1 1 15 15 GLN C C 15 174.848 174.848 177.831 -2.983 25428 6192 1 17 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.225 -2.375 25428 6193 1 17 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.703 -3.369 25428 6194 1 17 . 1 1 16 16 LYS N N 16 115.638 115.638 119.829 -4.191 25428 6195 1 17 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.090 -0.069 25428 6196 1 17 . 1 1 16 16 LYS C C 16 176.800 176.800 179.040 -2.240 25428 6197 1 17 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.538 -2.914 25428 6198 1 17 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.985 -2.148 25428 6199 1 17 . 1 1 17 17 VAL N N 17 118.513 118.513 118.700 -0.187 25428 6200 1 17 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.626 -0.236 25428 6201 1 17 . 1 1 17 17 VAL C C 17 173.946 173.946 177.507 -3.561 25428 6202 1 17 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.947 -3.136 25428 6203 1 17 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.613 -2.526 25428 6204 1 17 . 1 1 18 18 ALA N N 18 121.811 121.811 123.035 -1.224 25428 6205 1 17 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.980 -0.247 25428 6206 1 17 . 1 1 18 18 ALA C C 18 176.571 176.571 179.686 -3.115 25428 6207 1 17 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.687 -3.168 25428 6208 1 17 . 1 1 18 18 ALA CB C 18 15.616 15.616 18.291 -2.675 25428 6209 1 17 . 1 1 19 19 GLU N N 19 116.183 116.183 117.804 -1.621 25428 6210 1 17 . 1 1 19 19 GLU HA H 19 3.913 3.913 3.539 0.374 25428 6211 1 17 . 1 1 19 19 GLU C C 19 176.184 176.184 179.347 -3.163 25428 6212 1 17 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.398 -2.566 25428 6213 1 17 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.381 -2.267 25428 6214 1 17 . 1 1 20 20 LYS N N 20 120.202 120.202 118.344 1.858 25428 6215 1 17 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.122 -0.059 25428 6216 1 17 . 1 1 20 20 LYS C C 20 175.707 175.707 178.606 -2.899 25428 6217 1 17 . 1 1 20 20 LYS CA C 20 54.340 54.340 58.202 -3.862 25428 6218 1 17 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.243 -5.091 25428 6219 1 17 . 1 1 21 21 LEU N N 21 120.188 120.188 120.444 -0.256 25428 6220 1 17 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.001 -0.097 25428 6221 1 17 . 1 1 21 21 LEU C C 21 175.138 175.138 178.067 -2.929 25428 6222 1 17 . 1 1 21 21 LEU CA C 21 54.762 54.762 57.000 -2.238 25428 6223 1 17 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.094 -3.705 25428 6224 1 17 . 1 1 22 22 ASP N N 22 118.729 118.729 120.319 -1.590 25428 6225 1 17 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.677 -0.252 25428 6226 1 17 . 1 1 22 22 ASP C C 22 175.147 175.147 178.515 -3.368 25428 6227 1 17 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.487 -2.211 25428 6228 1 17 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.657 -1.354 25428 6229 1 17 . 1 1 23 23 GLU N N 23 117.201 117.201 119.113 -1.912 25428 6230 1 17 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.105 -0.216 25428 6231 1 17 . 1 1 23 23 GLU C C 23 177.140 177.140 179.132 -1.992 25428 6232 1 17 . 1 1 23 23 GLU CA C 23 56.749 56.749 58.496 -1.747 25428 6233 1 17 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.424 -2.383 25428 6234 1 17 . 1 1 24 24 ILE N N 24 121.465 121.465 119.531 1.934 25428 6235 1 17 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.717 -0.110 25428 6236 1 17 . 1 1 24 24 ILE C C 24 174.918 174.918 176.603 -1.685 25428 6237 1 17 . 1 1 24 24 ILE CA C 24 63.184 63.184 63.927 -0.743 25428 6238 1 17 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.795 -2.828 25428 6239 1 17 . 1 1 25 25 TYR N N 25 120.955 120.955 116.201 4.754 25428 6240 1 17 . 1 1 25 25 TYR HA H 25 4.812 4.812 5.143 -0.331 25428 6241 1 17 . 1 1 25 25 TYR C C 25 179.018 179.018 175.898 3.120 25428 6242 1 17 . 1 1 25 25 TYR CA C 25 56.172 56.172 55.686 0.486 25428 6243 1 17 . 1 1 25 25 TYR CB C 25 34.419 34.419 36.452 -2.033 25428 6244 1 17 . 1 1 26 26 VAL N N 26 123.429 123.429 118.680 4.749 25428 6245 1 17 . 1 1 26 26 VAL HA H 26 3.591 3.591 4.113 -0.522 25428 6246 1 17 . 1 1 26 26 VAL C C 26 175.383 175.383 176.641 -1.258 25428 6247 1 17 . 1 1 26 26 VAL CA C 26 63.501 63.501 62.742 0.758 25428 6248 1 17 . 1 1 26 26 VAL CB C 26 28.993 28.993 32.944 -3.951 25428 6249 1 17 . 1 1 27 27 ALA N N 27 120.082 120.082 121.656 -1.574 25428 6250 1 17 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.306 -0.101 25428 6251 1 17 . 1 1 27 27 ALA C C 27 175.640 175.640 178.147 -2.507 25428 6252 1 17 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.776 -2.506 25428 6253 1 17 . 1 1 27 27 ALA CB C 27 15.992 15.992 19.031 -3.039 25428 6254 1 17 . 1 1 28 28 GLY N N 28 105.543 105.543 106.210 -0.667 25428 6255 1 17 . 1 1 28 28 GLY C C 28 172.315 172.315 175.359 -3.044 25428 6256 1 17 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.328 -2.789 25428 6257 1 17 . 1 1 29 29 LEU N N 29 119.155 119.155 120.537 -1.382 25428 6258 1 17 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.046 -0.041 25428 6259 1 17 . 1 1 29 29 LEU C C 29 173.807 173.807 176.604 -2.797 25428 6260 1 17 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.502 -2.422 25428 6261 1 17 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.297 -2.511 25428 6262 1 17 . 1 1 30 30 VAL N N 30 109.334 109.334 108.087 1.247 25428 6263 1 17 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.647 -0.431 25428 6264 1 17 . 1 1 30 30 VAL C C 30 170.244 170.244 174.607 -4.363 25428 6265 1 17 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.916 -3.472 25428 6266 1 17 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.699 -2.334 25428 6267 1 17 . 1 1 31 31 ALA N N 31 126.238 126.238 121.168 5.070 25428 6268 1 17 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.901 -0.342 25428 6269 1 17 . 1 1 31 31 ALA C C 31 176.016 176.016 177.409 -1.393 25428 6270 1 17 . 1 1 31 31 ALA CA C 31 47.470 47.470 50.223 -2.753 25428 6271 1 17 . 1 1 31 31 ALA CB C 31 18.040 18.040 21.536 -3.496 25428 6272 1 17 . 1 1 32 32 HIS N N 32 120.680 120.680 117.349 3.331 25428 6273 1 17 . 1 1 32 32 HIS HA H 32 3.990 3.990 2.926 1.064 25428 6274 1 17 . 1 1 32 32 HIS C C 32 174.379 174.379 174.723 -0.344 25428 6275 1 17 . 1 1 32 32 HIS CA C 32 56.668 56.668 56.922 -0.254 25428 6276 1 17 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.112 -2.660 25428 6277 1 17 . 1 1 33 33 SER N N 33 109.997 109.997 112.133 -2.136 25428 6278 1 17 . 1 1 33 33 SER HA H 33 4.125 4.125 4.311 -0.186 25428 6279 1 17 . 1 1 33 33 SER C C 33 172.444 172.444 174.251 -1.807 25428 6280 1 17 . 1 1 33 33 SER CA C 33 56.158 56.158 57.080 -0.922 25428 6281 1 17 . 1 1 33 33 SER CB C 33 60.045 60.045 63.335 -3.290 25428 6282 1 17 . 1 1 34 34 ASP N N 34 119.785 119.785 124.288 -4.503 25428 6283 1 17 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.575 -0.055 25428 6284 1 17 . 1 1 34 34 ASP CA C 34 53.516 53.516 54.531 -1.014 25428 6285 1 17 . 1 1 34 34 ASP CB C 34 39.490 39.490 39.865 -0.375 25428 6286 1 17 . 1 1 35 35 LEU N N 35 118.248 118.248 117.054 1.194 25428 6287 1 17 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.597 -0.144 25428 6288 1 17 . 1 1 35 35 LEU CA C 35 50.364 50.364 53.399 -3.035 25428 6289 1 17 . 1 1 35 35 LEU CB C 35 38.642 38.642 44.800 -6.158 25428 6290 1 17 . 1 1 36 36 ASP N N 36 122.922 122.922 118.541 4.381 25428 6291 1 17 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.864 -0.439 25428 6292 1 17 . 1 1 36 36 ASP C C 36 173.050 173.050 176.127 -3.077 25428 6293 1 17 . 1 1 36 36 ASP CA C 36 49.746 49.746 53.397 -3.651 25428 6294 1 17 . 1 1 36 36 ASP CB C 36 39.169 39.169 44.204 -5.035 25428 6295 1 17 . 1 1 37 37 GLU N N 37 119.277 119.277 121.488 -2.211 25428 6296 1 17 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.036 -0.210 25428 6297 1 17 . 1 1 37 37 GLU C C 37 175.878 175.878 178.099 -2.221 25428 6298 1 17 . 1 1 37 37 GLU CA C 37 56.924 56.924 60.290 -3.366 25428 6299 1 17 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.844 -3.433 25428 6300 1 17 . 1 1 38 38 ARG N N 38 117.965 117.965 116.809 1.156 25428 6301 1 17 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.052 -0.120 25428 6302 1 17 . 1 1 38 38 ARG C C 38 176.285 176.285 178.445 -2.160 25428 6303 1 17 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.753 -2.947 25428 6304 1 17 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.537 1.429 25428 6305 1 17 . 1 1 39 39 ALA N N 39 123.247 123.247 123.088 0.159 25428 6306 1 17 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.330 -0.452 25428 6307 1 17 . 1 1 39 39 ALA C C 39 175.872 175.872 179.527 -3.655 25428 6308 1 17 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.294 -2.053 25428 6309 1 17 . 1 1 39 39 ALA CB C 39 15.191 15.191 19.102 -3.911 25428 6310 1 17 . 1 1 40 40 ILE N N 40 116.462 116.462 119.525 -3.063 25428 6311 1 17 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.667 -0.223 25428 6312 1 17 . 1 1 40 40 ILE C C 40 175.056 175.056 178.234 -3.178 25428 6313 1 17 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.254 -2.406 25428 6314 1 17 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.434 -2.813 25428 6315 1 17 . 1 1 41 41 GLU N N 41 117.817 117.817 120.335 -2.518 25428 6316 1 17 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.961 -0.176 25428 6317 1 17 . 1 1 41 41 GLU C C 41 176.503 176.503 178.781 -2.278 25428 6318 1 17 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.864 -3.453 25428 6319 1 17 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.644 -3.284 25428 6320 1 17 . 1 1 42 42 ALA N N 42 120.852 120.852 121.589 -0.737 25428 6321 1 17 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.189 -0.121 25428 6322 1 17 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.415 -2.438 25428 6323 1 17 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.636 -3.307 25428 6324 1 17 . 1 1 43 43 LEU N N 43 120.443 120.443 118.744 1.699 25428 6325 1 17 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.137 0.002 25428 6326 1 17 . 1 1 43 43 LEU C C 43 176.351 176.351 179.387 -3.036 25428 6327 1 17 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.589 -2.736 25428 6328 1 17 . 1 1 43 43 LEU CB C 43 39.586 39.586 42.244 -2.658 25428 6329 1 17 . 1 1 44 44 LYS N N 44 116.644 116.644 118.981 -2.337 25428 6330 1 17 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.085 -0.060 25428 6331 1 17 . 1 1 44 44 LYS C C 44 174.406 174.406 179.113 -4.707 25428 6332 1 17 . 1 1 44 44 LYS CA C 44 55.431 55.431 59.083 -3.652 25428 6333 1 17 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.527 -2.854 25428 6334 1 17 . 1 1 45 45 GLU N N 45 115.882 115.882 119.263 -3.381 25428 6335 1 17 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.148 -0.134 25428 6336 1 17 . 1 1 45 45 GLU C C 45 174.383 174.383 175.668 -1.285 25428 6337 1 17 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.513 -2.232 25428 6338 1 17 . 1 1 45 45 GLU CB C 45 26.997 26.997 28.512 -1.515 25428 6339 1 17 . 1 1 46 46 PHE N N 46 118.293 118.293 119.301 -1.008 25428 6340 1 17 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.620 -0.272 25428 6341 1 17 . 1 1 46 46 PHE C C 46 173.933 173.933 174.445 -0.512 25428 6342 1 17 . 1 1 46 46 PHE CA C 46 55.339 55.339 56.203 -0.863 25428 6343 1 17 . 1 1 46 46 PHE CB C 46 38.417 38.417 42.451 -4.034 25428 6344 1 17 . 1 1 47 47 ASN N N 47 117.552 117.552 121.005 -3.453 25428 6345 1 17 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.712 -0.105 25428 6346 1 17 . 1 1 47 47 ASN C C 47 172.500 172.500 176.206 -3.706 25428 6347 1 17 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.969 -3.309 25428 6348 1 17 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.205 -4.019 25428 6349 1 17 . 1 1 48 48 GLU N N 48 121.194 121.194 120.709 0.485 25428 6350 1 17 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.909 -0.231 25428 6351 1 17 . 1 1 48 48 GLU C C 48 174.313 174.313 178.278 -3.965 25428 6352 1 17 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.549 -2.163 25428 6353 1 17 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.650 -2.056 25428 6354 1 17 . 1 1 49 49 ASP N N 49 115.316 115.316 117.729 -2.413 25428 6355 1 17 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.540 -0.317 25428 6356 1 17 . 1 1 49 49 ASP C C 49 176.778 176.778 178.237 -1.459 25428 6357 1 17 . 1 1 49 49 ASP CA C 49 54.688 54.688 56.420 -1.732 25428 6358 1 17 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.077 -2.636 25428 6359 1 17 . 1 1 50 50 GLY N N 50 109.745 109.745 108.486 1.259 25428 6360 1 17 . 1 1 50 50 GLY C C 50 171.469 171.469 175.519 -4.050 25428 6361 1 17 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.438 -2.097 25428 6362 1 17 . 1 1 51 51 ALA N N 51 123.698 123.698 124.628 -0.930 25428 6363 1 17 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.594 -0.227 25428 6364 1 17 . 1 1 51 51 ALA C C 51 177.022 177.022 179.581 -2.559 25428 6365 1 17 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.741 -2.578 25428 6366 1 17 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.203 -1.393 25428 6367 1 17 . 1 1 52 52 LEU N N 52 115.728 115.728 118.350 -2.622 25428 6368 1 17 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.932 -0.144 25428 6369 1 17 . 1 1 52 52 LEU C C 52 176.760 176.760 178.810 -2.050 25428 6370 1 17 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.639 -2.378 25428 6371 1 17 . 1 1 52 52 LEU CB C 52 38.006 38.006 40.484 -2.478 25428 6372 1 17 . 1 1 53 53 ALA N N 53 123.490 123.490 121.695 1.795 25428 6373 1 17 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.912 0.108 25428 6374 1 17 . 1 1 53 53 ALA CA C 53 52.438 52.438 55.012 -2.574 25428 6375 1 17 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.942 -2.496 25428 6376 1 17 . 1 1 54 54 VAL N N 54 119.648 119.648 117.921 1.727 25428 6377 1 17 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.361 -0.283 25428 6378 1 17 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.525 -3.576 25428 6379 1 17 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.899 -2.542 25428 6380 1 17 . 1 1 55 55 LEU N N 55 118.185 118.185 119.249 -1.064 25428 6381 1 17 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.943 -0.102 25428 6382 1 17 . 1 1 55 55 LEU C C 55 175.988 175.988 178.996 -3.008 25428 6383 1 17 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.867 -3.212 25428 6384 1 17 . 1 1 55 55 LEU CB C 55 38.850 38.850 40.974 -2.124 25428 6385 1 17 . 1 1 56 56 GLN N N 56 120.271 120.271 119.443 0.828 25428 6386 1 17 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.853 -0.098 25428 6387 1 17 . 1 1 56 56 GLN C C 56 174.357 174.357 178.344 -3.987 25428 6388 1 17 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.617 -3.898 25428 6389 1 17 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.486 -3.269 25428 6390 1 17 . 1 1 57 57 GLN N N 57 117.610 117.610 118.445 -0.835 25428 6391 1 17 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.140 -0.145 25428 6392 1 17 . 1 1 57 57 GLN C C 57 177.125 177.125 178.156 -1.031 25428 6393 1 17 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.673 -2.613 25428 6394 1 17 . 1 1 57 57 GLN CB C 57 25.148 25.148 28.794 -3.646 25428 6395 1 17 . 1 1 58 58 PHE N N 58 120.365 120.365 118.966 1.399 25428 6396 1 17 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.473 -0.273 25428 6397 1 17 . 1 1 58 58 PHE C C 58 172.960 172.960 177.158 -4.198 25428 6398 1 17 . 1 1 58 58 PHE CA C 58 58.622 58.622 60.168 -1.546 25428 6399 1 17 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.444 -2.135 25428 6400 1 17 . 1 1 59 59 LYS N N 59 117.757 117.757 117.991 -0.234 25428 6401 1 17 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.920 -0.293 25428 6402 1 17 . 1 1 59 59 LYS C C 59 174.015 174.015 177.999 -3.984 25428 6403 1 17 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.509 -2.282 25428 6404 1 17 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.507 -3.029 25428 6405 1 17 . 1 1 60 60 ASP N N 60 116.580 116.580 119.725 -3.145 25428 6406 1 17 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.643 -0.013 25428 6407 1 17 . 1 1 60 60 ASP C C 60 174.154 174.154 175.045 -0.891 25428 6408 1 17 . 1 1 60 60 ASP CA C 60 51.754 51.754 53.939 -2.185 25428 6409 1 17 . 1 1 60 60 ASP CB C 60 38.013 38.013 39.913 -1.900 25428 6410 1 17 . 1 1 61 61 SER N N 61 117.142 117.142 114.844 2.298 25428 6411 1 17 . 1 1 61 61 SER HA H 61 4.383 4.383 4.564 -0.181 25428 6412 1 17 . 1 1 61 61 SER C C 61 169.538 169.538 173.245 -3.707 25428 6413 1 17 . 1 1 61 61 SER CA C 61 56.682 56.682 57.166 -0.485 25428 6414 1 17 . 1 1 61 61 SER CB C 61 61.698 61.698 65.888 -4.190 25428 6415 1 17 . 1 1 62 62 ASP N N 62 120.580 120.580 123.088 -2.508 25428 6416 1 17 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.745 -0.195 25428 6417 1 17 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.529 -3.263 25428 6418 1 17 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.007 -3.828 25428 6419 1 17 . 1 1 63 63 LEU N N 63 126.269 126.269 124.680 1.589 25428 6420 1 17 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.048 -0.237 25428 6421 1 17 . 1 1 63 63 LEU CA C 63 51.921 51.921 54.454 -2.533 25428 6422 1 17 . 1 1 63 63 LEU CB C 63 39.003 39.003 39.694 -0.691 25428 6423 1 17 . 1 1 64 64 SER N N 64 116.388 116.388 115.284 1.104 25428 6424 1 17 . 1 1 64 64 SER HA H 64 3.862 3.862 4.403 -0.541 25428 6425 1 17 . 1 1 64 64 SER C C 64 172.812 172.812 174.912 -2.100 25428 6426 1 17 . 1 1 64 64 SER CA C 64 58.914 58.914 59.017 -0.103 25428 6427 1 17 . 1 1 64 64 SER CB C 64 59.851 59.851 63.525 -3.674 25428 6428 1 17 . 1 1 65 65 HIS N N 65 117.601 117.601 118.654 -1.053 25428 6429 1 17 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.722 -0.009 25428 6430 1 17 . 1 1 65 65 HIS C C 65 171.008 171.008 174.251 -3.243 25428 6431 1 17 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.382 -3.146 25428 6432 1 17 . 1 1 65 65 HIS CB C 65 25.765 25.765 31.216 -5.451 25428 6433 1 17 . 1 1 66 66 VAL N N 66 121.466 121.466 124.878 -3.412 25428 6434 1 17 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.205 -0.348 25428 6435 1 17 . 1 1 66 66 VAL C C 66 172.336 172.336 176.726 -4.390 25428 6436 1 17 . 1 1 66 66 VAL CA C 66 59.147 59.147 61.898 -2.751 25428 6437 1 17 . 1 1 66 66 VAL CB C 66 29.577 29.577 32.141 -2.564 25428 6438 1 17 . 1 1 67 67 GLN N N 67 127.282 127.282 128.175 -0.893 25428 6439 1 17 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.110 0.039 25428 6440 1 17 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.213 -3.113 25428 6441 1 17 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.626 -2.311 25428 6442 1 17 . 1 1 68 68 ASN N N 68 117.044 117.044 117.274 -0.230 25428 6443 1 17 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.960 -0.025 25428 6444 1 17 . 1 1 68 68 ASN CA C 68 48.730 48.730 51.585 -2.855 25428 6445 1 17 . 1 1 68 68 ASN CB C 68 35.131 35.131 38.261 -3.130 25428 6446 1 17 . 1 1 69 69 LYS N N 69 125.145 125.145 123.233 1.912 25428 6447 1 17 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.016 -0.083 25428 6448 1 17 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.807 -2.202 25428 6449 1 17 . 1 1 69 69 LYS CB C 69 30.295 30.295 31.915 -1.620 25428 6450 1 17 . 1 1 70 70 SER N N 70 116.020 116.020 115.385 0.635 25428 6451 1 17 . 1 1 70 70 SER HA H 70 4.220 4.220 4.080 0.140 25428 6452 1 17 . 1 1 70 70 SER CA C 70 59.898 59.898 61.825 -1.927 25428 6453 1 17 . 1 1 70 70 SER CB C 70 59.848 59.848 62.356 -2.508 25428 6454 1 17 . 1 1 71 71 ALA N N 71 123.444 123.444 123.990 -0.546 25428 6455 1 17 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.108 -0.134 25428 6456 1 17 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.210 -2.340 25428 6457 1 17 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.267 -3.200 25428 6458 1 17 . 1 1 72 72 PHE N N 72 120.178 120.178 120.045 0.133 25428 6459 1 17 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.235 -0.093 25428 6460 1 17 . 1 1 72 72 PHE C C 72 175.653 175.653 177.069 -1.416 25428 6461 1 17 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.885 -2.968 25428 6462 1 17 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.581 -2.227 25428 6463 1 17 . 1 1 73 73 LEU N N 73 121.921 121.921 121.522 0.399 25428 6464 1 17 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.957 -0.204 25428 6465 1 17 . 1 1 73 73 LEU C C 73 175.921 175.921 178.475 -2.554 25428 6466 1 17 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.836 -3.152 25428 6467 1 17 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.428 -4.004 25428 6468 1 17 . 1 1 74 74 CYS N N 74 116.964 116.964 116.230 0.734 25428 6469 1 17 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.298 -0.186 25428 6470 1 17 . 1 1 74 74 CYS C C 74 174.901 174.901 177.631 -2.730 25428 6471 1 17 . 1 1 74 74 CYS CA C 74 61.104 61.104 62.972 -1.868 25428 6472 1 17 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.025 -2.393 25428 6473 1 17 . 1 1 75 75 GLY N N 75 110.524 110.524 109.046 1.478 25428 6474 1 17 . 1 1 75 75 GLY C C 75 173.633 173.633 176.118 -2.485 25428 6475 1 17 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.076 -2.691 25428 6476 1 17 . 1 1 76 76 VAL N N 76 124.398 124.398 123.215 1.183 25428 6477 1 17 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.624 -0.113 25428 6478 1 17 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.254 -2.863 25428 6479 1 17 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.372 -2.873 25428 6480 1 17 . 1 1 77 77 MET N N 77 118.057 118.057 117.683 0.374 25428 6481 1 17 . 1 1 77 77 MET HA H 77 3.755 3.755 4.151 -0.396 25428 6482 1 17 . 1 1 77 77 MET CA C 77 57.770 57.770 59.975 -2.205 25428 6483 1 17 . 1 1 77 77 MET CB C 77 31.029 31.029 32.277 -1.248 25428 6484 1 17 . 1 1 78 78 LYS N N 78 118.765 118.765 119.565 -0.800 25428 6485 1 17 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.179 -0.212 25428 6486 1 17 . 1 1 78 78 LYS CA C 78 57.157 57.157 58.996 -1.839 25428 6487 1 17 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.296 -2.704 25428 6488 1 17 . 1 1 79 79 THR N N 79 114.076 114.076 113.362 0.714 25428 6489 1 17 . 1 1 79 79 THR HA H 79 3.893 3.893 4.123 -0.230 25428 6490 1 17 . 1 1 79 79 THR CA C 79 62.715 62.715 65.542 -2.827 25428 6491 1 17 . 1 1 79 79 THR CB C 79 65.978 65.978 69.017 -3.039 25428 6492 1 17 . 1 1 80 80 TYR N N 80 123.194 123.194 121.353 1.841 25428 6493 1 17 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.312 -0.294 25428 6494 1 17 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.502 -2.671 25428 6495 1 17 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.469 -2.310 25428 6496 1 17 . 1 1 81 81 ARG N N 81 118.541 118.541 119.747 -1.206 25428 6497 1 17 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.346 -0.290 25428 6498 1 17 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.844 -2.655 25428 6499 1 17 . 1 1 81 81 ARG CB C 81 27.670 27.670 29.326 -1.656 25428 6500 1 17 . 1 1 82 82 GLN N N 82 117.664 117.664 116.635 1.029 25428 6501 1 17 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.497 -0.386 25428 6502 1 17 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.868 -1.988 25428 6503 1 17 . 1 1 82 82 GLN CB C 82 25.988 25.988 30.035 -4.047 25428 6504 1 17 . 1 1 83 83 ARG N N 83 119.552 119.552 119.987 -0.435 25428 6505 1 17 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.571 -0.456 25428 6506 1 17 . 1 1 83 83 ARG CA C 83 53.889 53.889 56.064 -2.175 25428 6507 1 17 . 1 1 83 83 ARG CB C 83 27.811 27.811 31.119 -3.308 25428 6508 1 17 . 1 1 84 84 GLU N N 84 121.362 121.362 121.682 -0.320 25428 6509 1 17 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.412 -0.279 25428 6510 1 17 . 1 1 84 84 GLU CA C 84 53.838 53.838 56.928 -3.090 25428 6511 1 17 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.364 -2.919 25428 6512 1 18 . 1 1 2 2 SER N N 2 119.046 119.046 115.674 3.372 25428 6513 1 18 . 1 1 2 2 SER HA H 2 4.509 4.509 4.530 -0.021 25428 6514 1 18 . 1 1 2 2 SER C C 2 172.827 172.827 176.364 -3.537 25428 6515 1 18 . 1 1 2 2 SER CA C 2 55.872 55.872 57.792 -1.920 25428 6516 1 18 . 1 1 2 2 SER CB C 2 61.645 61.645 64.133 -2.488 25428 6517 1 18 . 1 1 3 3 GLU N N 3 121.401 121.401 121.486 -0.085 25428 6518 1 18 . 1 1 3 3 GLU HA H 3 4.172 4.172 3.922 0.250 25428 6519 1 18 . 1 1 3 3 GLU C C 3 174.375 174.375 178.217 -3.842 25428 6520 1 18 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.397 -3.752 25428 6521 1 18 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.235 -2.972 25428 6522 1 18 . 1 1 4 4 ASN N N 4 117.467 117.467 118.424 -0.957 25428 6523 1 18 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.342 0.197 25428 6524 1 18 . 1 1 4 4 ASN C C 4 172.792 172.792 176.964 -4.172 25428 6525 1 18 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.325 -3.757 25428 6526 1 18 . 1 1 4 4 ASN CB C 4 36.628 36.628 37.925 -1.297 25428 6527 1 18 . 1 1 5 5 PHE N N 5 121.588 121.588 122.235 -0.647 25428 6528 1 18 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.142 -0.163 25428 6529 1 18 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.495 -2.816 25428 6530 1 18 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.700 -2.474 25428 6531 1 18 . 1 1 6 6 GLN N N 6 117.868 117.868 116.745 1.123 25428 6532 1 18 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.896 -0.418 25428 6533 1 18 . 1 1 6 6 GLN C C 6 174.670 174.670 178.215 -3.545 25428 6534 1 18 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.727 -3.426 25428 6535 1 18 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.926 -2.669 25428 6536 1 18 . 1 1 7 7 THR N N 7 114.124 114.124 117.149 -3.025 25428 6537 1 18 . 1 1 7 7 THR HA H 7 3.862 3.862 3.928 -0.066 25428 6538 1 18 . 1 1 7 7 THR C C 7 173.949 173.949 176.713 -2.764 25428 6539 1 18 . 1 1 7 7 THR CA C 7 62.909 62.909 66.186 -3.277 25428 6540 1 18 . 1 1 7 7 THR CB C 7 65.814 65.814 68.278 -2.464 25428 6541 1 18 . 1 1 8 8 LEU N N 8 121.809 121.809 121.882 -0.073 25428 6542 1 18 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.087 -0.194 25428 6543 1 18 . 1 1 8 8 LEU C C 8 175.915 175.915 178.887 -2.972 25428 6544 1 18 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.292 -2.680 25428 6545 1 18 . 1 1 8 8 LEU CB C 8 39.027 39.027 40.529 -1.502 25428 6546 1 18 . 1 1 9 9 LEU N N 9 119.407 119.407 115.955 3.452 25428 6547 1 18 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.015 -0.016 25428 6548 1 18 . 1 1 9 9 LEU C C 9 179.642 179.642 178.213 1.429 25428 6549 1 18 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.593 -2.200 25428 6550 1 18 . 1 1 9 9 LEU CB C 9 38.343 38.343 40.468 -2.124 25428 6551 1 18 . 1 1 10 10 ASP N N 10 122.019 122.019 118.724 3.295 25428 6552 1 18 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.507 -0.278 25428 6553 1 18 . 1 1 10 10 ASP C C 10 174.743 174.743 177.706 -2.963 25428 6554 1 18 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.720 -1.891 25428 6555 1 18 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.784 -4.819 25428 6556 1 18 . 1 1 11 11 ALA N N 11 121.088 121.088 119.849 1.239 25428 6557 1 18 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.150 0.058 25428 6558 1 18 . 1 1 11 11 ALA C C 11 174.553 174.553 177.640 -3.087 25428 6559 1 18 . 1 1 11 11 ALA CA C 11 49.682 49.682 53.560 -3.878 25428 6560 1 18 . 1 1 11 11 ALA CB C 11 15.391 15.391 19.321 -3.930 25428 6561 1 18 . 1 1 12 12 GLY N N 12 104.096 104.096 103.504 0.592 25428 6562 1 18 . 1 1 12 12 GLY C C 12 172.183 172.183 173.736 -1.553 25428 6563 1 18 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.458 -2.308 25428 6564 1 18 . 1 1 13 13 LEU N N 13 120.523 120.523 121.182 -0.659 25428 6565 1 18 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.855 -0.490 25428 6566 1 18 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.606 -1.453 25428 6567 1 18 . 1 1 13 13 LEU CB C 13 38.486 38.486 43.084 -4.598 25428 6568 1 18 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.556 -0.205 25428 6569 1 18 . 1 1 14 14 PRO C C 14 174.611 174.611 177.143 -2.532 25428 6570 1 18 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.644 -2.916 25428 6571 1 18 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.792 -2.989 25428 6572 1 18 . 1 1 15 15 GLN N N 15 124.429 124.429 123.521 0.908 25428 6573 1 18 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.875 -0.186 25428 6574 1 18 . 1 1 15 15 GLN C C 15 174.848 174.848 177.778 -2.930 25428 6575 1 18 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.454 -2.604 25428 6576 1 18 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.644 -3.311 25428 6577 1 18 . 1 1 16 16 LYS N N 16 115.638 115.638 119.408 -3.770 25428 6578 1 18 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.220 -0.198 25428 6579 1 18 . 1 1 16 16 LYS C C 16 176.800 176.800 178.821 -2.021 25428 6580 1 18 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.831 -3.207 25428 6581 1 18 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.100 -1.263 25428 6582 1 18 . 1 1 17 17 VAL N N 17 118.513 118.513 117.993 0.520 25428 6583 1 18 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.686 -0.296 25428 6584 1 18 . 1 1 17 17 VAL C C 17 173.946 173.946 177.854 -3.908 25428 6585 1 18 . 1 1 17 17 VAL CA C 17 62.811 62.811 66.042 -3.231 25428 6586 1 18 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.141 -2.053 25428 6587 1 18 . 1 1 18 18 ALA N N 18 121.811 121.811 121.768 0.043 25428 6588 1 18 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.998 -0.265 25428 6589 1 18 . 1 1 18 18 ALA C C 18 176.571 176.571 179.887 -3.316 25428 6590 1 18 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.423 -2.904 25428 6591 1 18 . 1 1 18 18 ALA CB C 18 15.616 15.616 18.103 -2.487 25428 6592 1 18 . 1 1 19 19 GLU N N 19 116.183 116.183 117.809 -1.626 25428 6593 1 18 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.098 -0.185 25428 6594 1 18 . 1 1 19 19 GLU C C 19 176.184 176.184 179.233 -3.049 25428 6595 1 18 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.475 -2.643 25428 6596 1 18 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.616 -2.502 25428 6597 1 18 . 1 1 20 20 LYS N N 20 120.202 120.202 116.695 3.507 25428 6598 1 18 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.305 -0.242 25428 6599 1 18 . 1 1 20 20 LYS C C 20 175.707 175.707 177.792 -2.085 25428 6600 1 18 . 1 1 20 20 LYS CA C 20 54.340 54.340 56.574 -2.234 25428 6601 1 18 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.538 -5.386 25428 6602 1 18 . 1 1 21 21 LEU N N 21 120.188 120.188 119.236 0.952 25428 6603 1 18 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.272 -0.368 25428 6604 1 18 . 1 1 21 21 LEU C C 21 175.138 175.138 178.296 -3.158 25428 6605 1 18 . 1 1 21 21 LEU CA C 21 54.762 54.762 57.573 -2.811 25428 6606 1 18 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.877 -4.488 25428 6607 1 18 . 1 1 22 22 ASP N N 22 118.729 118.729 120.784 -2.055 25428 6608 1 18 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.551 -0.126 25428 6609 1 18 . 1 1 22 22 ASP C C 22 175.147 175.147 178.444 -3.297 25428 6610 1 18 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.893 -2.617 25428 6611 1 18 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.792 -1.489 25428 6612 1 18 . 1 1 23 23 GLU N N 23 117.201 117.201 118.883 -1.682 25428 6613 1 18 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.158 -0.269 25428 6614 1 18 . 1 1 23 23 GLU C C 23 177.140 177.140 178.708 -1.568 25428 6615 1 18 . 1 1 23 23 GLU CA C 23 56.749 56.749 58.349 -1.600 25428 6616 1 18 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.426 -2.385 25428 6617 1 18 . 1 1 24 24 ILE N N 24 121.465 121.465 119.477 1.988 25428 6618 1 18 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.848 -0.241 25428 6619 1 18 . 1 1 24 24 ILE C C 24 174.918 174.918 176.203 -1.285 25428 6620 1 18 . 1 1 24 24 ILE CA C 24 63.184 63.184 63.122 0.062 25428 6621 1 18 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.743 -2.776 25428 6622 1 18 . 1 1 25 25 TYR N N 25 120.955 120.955 117.122 3.833 25428 6623 1 18 . 1 1 25 25 TYR HA H 25 4.812 4.812 5.160 -0.348 25428 6624 1 18 . 1 1 25 25 TYR C C 25 179.018 179.018 176.589 2.429 25428 6625 1 18 . 1 1 25 25 TYR CA C 25 56.172 56.172 58.131 -1.959 25428 6626 1 18 . 1 1 25 25 TYR CB C 25 34.419 34.419 39.263 -4.844 25428 6627 1 18 . 1 1 26 26 VAL N N 26 123.429 123.429 116.790 6.639 25428 6628 1 18 . 1 1 26 26 VAL HA H 26 3.591 3.591 4.119 -0.528 25428 6629 1 18 . 1 1 26 26 VAL C C 26 175.383 175.383 175.963 -0.580 25428 6630 1 18 . 1 1 26 26 VAL CA C 26 63.501 63.501 62.470 1.031 25428 6631 1 18 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.929 -2.936 25428 6632 1 18 . 1 1 27 27 ALA N N 27 120.082 120.082 122.652 -2.570 25428 6633 1 18 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.438 -0.233 25428 6634 1 18 . 1 1 27 27 ALA C C 27 175.640 175.640 178.222 -2.582 25428 6635 1 18 . 1 1 27 27 ALA CA C 27 50.270 50.270 51.914 -1.644 25428 6636 1 18 . 1 1 27 27 ALA CB C 27 15.992 15.992 19.025 -3.033 25428 6637 1 18 . 1 1 28 28 GLY N N 28 105.543 105.543 107.199 -1.656 25428 6638 1 18 . 1 1 28 28 GLY C C 28 172.315 172.315 174.982 -2.667 25428 6639 1 18 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.637 -3.098 25428 6640 1 18 . 1 1 29 29 LEU N N 29 119.155 119.155 120.267 -1.112 25428 6641 1 18 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.104 -0.099 25428 6642 1 18 . 1 1 29 29 LEU C C 29 173.807 173.807 176.563 -2.756 25428 6643 1 18 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.282 -2.203 25428 6644 1 18 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.455 -2.669 25428 6645 1 18 . 1 1 30 30 VAL N N 30 109.334 109.334 109.297 0.037 25428 6646 1 18 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.504 -0.288 25428 6647 1 18 . 1 1 30 30 VAL C C 30 170.244 170.244 174.734 -4.490 25428 6648 1 18 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.485 -3.041 25428 6649 1 18 . 1 1 30 30 VAL CB C 30 32.365 32.365 35.037 -2.672 25428 6650 1 18 . 1 1 31 31 ALA N N 31 126.238 126.238 123.581 2.657 25428 6651 1 18 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.664 -0.105 25428 6652 1 18 . 1 1 31 31 ALA C C 31 176.016 176.016 178.868 -2.852 25428 6653 1 18 . 1 1 31 31 ALA CA C 31 47.470 47.470 51.820 -4.350 25428 6654 1 18 . 1 1 31 31 ALA CB C 31 18.040 18.040 19.931 -1.891 25428 6655 1 18 . 1 1 32 32 HIS N N 32 120.680 120.680 119.754 0.926 25428 6656 1 18 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.643 0.347 25428 6657 1 18 . 1 1 32 32 HIS C C 32 174.379 174.379 176.997 -2.618 25428 6658 1 18 . 1 1 32 32 HIS CA C 32 56.668 56.668 58.545 -1.877 25428 6659 1 18 . 1 1 32 32 HIS CB C 32 26.452 26.452 29.191 -2.739 25428 6660 1 18 . 1 1 33 33 SER N N 33 109.997 109.997 112.318 -2.321 25428 6661 1 18 . 1 1 33 33 SER HA H 33 4.125 4.125 4.266 -0.141 25428 6662 1 18 . 1 1 33 33 SER C C 33 172.444 172.444 174.888 -2.444 25428 6663 1 18 . 1 1 33 33 SER CA C 33 56.158 56.158 57.156 -0.998 25428 6664 1 18 . 1 1 33 33 SER CB C 33 60.045 60.045 62.278 -2.233 25428 6665 1 18 . 1 1 34 34 ASP N N 34 119.785 119.785 121.139 -1.354 25428 6666 1 18 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.542 -0.022 25428 6667 1 18 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.687 -2.171 25428 6668 1 18 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.477 -1.987 25428 6669 1 18 . 1 1 35 35 LEU N N 35 118.248 118.248 120.662 -2.414 25428 6670 1 18 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.251 0.202 25428 6671 1 18 . 1 1 35 35 LEU CA C 35 50.364 50.364 55.108 -4.744 25428 6672 1 18 . 1 1 35 35 LEU CB C 35 38.642 38.642 41.850 -3.208 25428 6673 1 18 . 1 1 36 36 ASP N N 36 122.922 122.922 119.674 3.248 25428 6674 1 18 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.778 -0.353 25428 6675 1 18 . 1 1 36 36 ASP C C 36 173.050 173.050 177.252 -4.202 25428 6676 1 18 . 1 1 36 36 ASP CA C 36 49.746 49.746 52.566 -2.820 25428 6677 1 18 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.731 -3.562 25428 6678 1 18 . 1 1 37 37 GLU N N 37 119.277 119.277 121.417 -2.140 25428 6679 1 18 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.039 -0.213 25428 6680 1 18 . 1 1 37 37 GLU C C 37 175.878 175.878 178.004 -2.126 25428 6681 1 18 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.818 -2.894 25428 6682 1 18 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.650 -3.239 25428 6683 1 18 . 1 1 38 38 ARG N N 38 117.965 117.965 118.741 -0.776 25428 6684 1 18 . 1 1 38 38 ARG HA H 38 3.932 3.932 3.973 -0.041 25428 6685 1 18 . 1 1 38 38 ARG C C 38 176.285 176.285 178.411 -2.126 25428 6686 1 18 . 1 1 38 38 ARG CA C 38 55.806 55.806 59.447 -3.641 25428 6687 1 18 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.542 1.424 25428 6688 1 18 . 1 1 39 39 ALA N N 39 123.247 123.247 123.231 0.016 25428 6689 1 18 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.203 -0.325 25428 6690 1 18 . 1 1 39 39 ALA C C 39 175.872 175.872 179.627 -3.755 25428 6691 1 18 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.832 -2.590 25428 6692 1 18 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.707 -3.516 25428 6693 1 18 . 1 1 40 40 ILE N N 40 116.462 116.462 119.415 -2.953 25428 6694 1 18 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.693 -0.249 25428 6695 1 18 . 1 1 40 40 ILE C C 40 175.056 175.056 178.297 -3.241 25428 6696 1 18 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.135 -2.287 25428 6697 1 18 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.273 -2.652 25428 6698 1 18 . 1 1 41 41 GLU N N 41 117.817 117.817 120.869 -3.052 25428 6699 1 18 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.983 -0.198 25428 6700 1 18 . 1 1 41 41 GLU C C 41 176.503 176.503 178.861 -2.358 25428 6701 1 18 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.414 -3.003 25428 6702 1 18 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.319 -2.959 25428 6703 1 18 . 1 1 42 42 ALA N N 42 120.852 120.852 121.250 -0.398 25428 6704 1 18 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.299 -0.231 25428 6705 1 18 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.834 -2.857 25428 6706 1 18 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.571 -3.242 25428 6707 1 18 . 1 1 43 43 LEU N N 43 120.443 120.443 120.056 0.387 25428 6708 1 18 . 1 1 43 43 LEU HA H 43 4.139 4.139 3.965 0.174 25428 6709 1 18 . 1 1 43 43 LEU C C 43 176.351 176.351 179.236 -2.885 25428 6710 1 18 . 1 1 43 43 LEU CA C 43 54.853 54.853 58.000 -3.147 25428 6711 1 18 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.751 -2.165 25428 6712 1 18 . 1 1 44 44 LYS N N 44 116.644 116.644 116.190 0.454 25428 6713 1 18 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.092 -0.067 25428 6714 1 18 . 1 1 44 44 LYS C C 44 174.406 174.406 177.674 -3.268 25428 6715 1 18 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.476 -3.045 25428 6716 1 18 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.147 -2.474 25428 6717 1 18 . 1 1 45 45 GLU N N 45 115.882 115.882 117.255 -1.373 25428 6718 1 18 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.250 -0.236 25428 6719 1 18 . 1 1 45 45 GLU C C 45 174.383 174.383 176.898 -2.515 25428 6720 1 18 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.745 -2.464 25428 6721 1 18 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.927 -2.930 25428 6722 1 18 . 1 1 46 46 PHE N N 46 118.293 118.293 119.470 -1.177 25428 6723 1 18 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.445 -0.097 25428 6724 1 18 . 1 1 46 46 PHE C C 46 173.933 173.933 174.595 -0.662 25428 6725 1 18 . 1 1 46 46 PHE CA C 46 55.339 55.339 58.087 -2.748 25428 6726 1 18 . 1 1 46 46 PHE CB C 46 38.417 38.417 40.089 -1.672 25428 6727 1 18 . 1 1 47 47 ASN N N 47 117.552 117.552 118.979 -1.427 25428 6728 1 18 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.869 -0.262 25428 6729 1 18 . 1 1 47 47 ASN C C 47 172.500 172.500 175.748 -3.248 25428 6730 1 18 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.136 -2.476 25428 6731 1 18 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.714 -4.527 25428 6732 1 18 . 1 1 48 48 GLU N N 48 121.194 121.194 120.036 1.158 25428 6733 1 18 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.968 -0.290 25428 6734 1 18 . 1 1 48 48 GLU C C 48 174.313 174.313 178.304 -3.991 25428 6735 1 18 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.394 -2.008 25428 6736 1 18 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.666 -2.072 25428 6737 1 18 . 1 1 49 49 ASP N N 49 115.316 115.316 117.539 -2.223 25428 6738 1 18 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.531 -0.308 25428 6739 1 18 . 1 1 49 49 ASP C C 49 176.778 176.778 178.367 -1.589 25428 6740 1 18 . 1 1 49 49 ASP CA C 49 54.688 54.688 56.429 -1.741 25428 6741 1 18 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.428 -2.987 25428 6742 1 18 . 1 1 50 50 GLY N N 50 109.745 109.745 109.213 0.532 25428 6743 1 18 . 1 1 50 50 GLY C C 50 171.469 171.469 175.391 -3.922 25428 6744 1 18 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.047 -1.706 25428 6745 1 18 . 1 1 51 51 ALA N N 51 123.698 123.698 124.866 -1.168 25428 6746 1 18 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.583 -0.216 25428 6747 1 18 . 1 1 51 51 ALA C C 51 177.022 177.022 179.482 -2.460 25428 6748 1 18 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.629 -2.466 25428 6749 1 18 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.297 -1.487 25428 6750 1 18 . 1 1 52 52 LEU N N 52 115.728 115.728 118.766 -3.038 25428 6751 1 18 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.944 -0.156 25428 6752 1 18 . 1 1 52 52 LEU C C 52 176.760 176.760 178.076 -1.316 25428 6753 1 18 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.841 -2.580 25428 6754 1 18 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.683 -3.677 25428 6755 1 18 . 1 1 53 53 ALA N N 53 123.490 123.490 121.221 2.269 25428 6756 1 18 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.953 0.067 25428 6757 1 18 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.868 -2.430 25428 6758 1 18 . 1 1 53 53 ALA CB C 53 15.446 15.446 18.123 -2.677 25428 6759 1 18 . 1 1 54 54 VAL N N 54 119.648 119.648 117.604 2.044 25428 6760 1 18 . 1 1 54 54 VAL HA H 54 3.078 3.078 2.998 0.080 25428 6761 1 18 . 1 1 54 54 VAL CA C 54 62.949 62.949 65.552 -2.603 25428 6762 1 18 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.385 -2.028 25428 6763 1 18 . 1 1 55 55 LEU N N 55 118.185 118.185 118.061 0.124 25428 6764 1 18 . 1 1 55 55 LEU HA H 55 3.841 3.841 4.016 -0.175 25428 6765 1 18 . 1 1 55 55 LEU C C 55 175.988 175.988 178.817 -2.829 25428 6766 1 18 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.541 -2.886 25428 6767 1 18 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.659 -2.809 25428 6768 1 18 . 1 1 56 56 GLN N N 56 120.271 120.271 119.078 1.193 25428 6769 1 18 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.853 -0.098 25428 6770 1 18 . 1 1 56 56 GLN C C 56 174.357 174.357 178.124 -3.767 25428 6771 1 18 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.322 -3.603 25428 6772 1 18 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.366 -3.149 25428 6773 1 18 . 1 1 57 57 GLN N N 57 117.610 117.610 116.598 1.012 25428 6774 1 18 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.209 -0.214 25428 6775 1 18 . 1 1 57 57 GLN C C 57 177.125 177.125 176.678 0.447 25428 6776 1 18 . 1 1 57 57 GLN CA C 57 56.060 56.060 57.634 -1.574 25428 6777 1 18 . 1 1 57 57 GLN CB C 57 25.148 25.148 29.049 -3.901 25428 6778 1 18 . 1 1 58 58 PHE N N 58 120.365 120.365 118.513 1.852 25428 6779 1 18 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.778 -0.578 25428 6780 1 18 . 1 1 58 58 PHE C C 58 172.960 172.960 177.537 -4.577 25428 6781 1 18 . 1 1 58 58 PHE CA C 58 58.622 58.622 58.955 -0.333 25428 6782 1 18 . 1 1 58 58 PHE CB C 58 37.309 37.309 41.202 -3.893 25428 6783 1 18 . 1 1 59 59 LYS N N 59 117.757 117.757 119.808 -2.051 25428 6784 1 18 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.950 -0.323 25428 6785 1 18 . 1 1 59 59 LYS C C 59 174.015 174.015 177.495 -3.480 25428 6786 1 18 . 1 1 59 59 LYS CA C 59 56.227 56.227 59.257 -3.030 25428 6787 1 18 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.180 -2.702 25428 6788 1 18 . 1 1 60 60 ASP N N 60 116.580 116.580 116.699 -0.119 25428 6789 1 18 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.643 -0.013 25428 6790 1 18 . 1 1 60 60 ASP C C 60 174.154 174.154 176.154 -2.000 25428 6791 1 18 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.404 -2.651 25428 6792 1 18 . 1 1 60 60 ASP CB C 60 38.013 38.013 41.537 -3.524 25428 6793 1 18 . 1 1 61 61 SER N N 61 117.142 117.142 115.404 1.738 25428 6794 1 18 . 1 1 61 61 SER HA H 61 4.383 4.383 4.545 -0.162 25428 6795 1 18 . 1 1 61 61 SER C C 61 169.538 169.538 173.284 -3.746 25428 6796 1 18 . 1 1 61 61 SER CA C 61 56.682 56.682 57.767 -1.085 25428 6797 1 18 . 1 1 61 61 SER CB C 61 61.698 61.698 63.896 -2.198 25428 6798 1 18 . 1 1 62 62 ASP N N 62 120.580 120.580 121.254 -0.674 25428 6799 1 18 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.631 -0.081 25428 6800 1 18 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.458 -3.192 25428 6801 1 18 . 1 1 62 62 ASP CB C 62 36.179 36.179 39.882 -3.703 25428 6802 1 18 . 1 1 63 63 LEU N N 63 126.269 126.269 121.594 4.675 25428 6803 1 18 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.077 -0.266 25428 6804 1 18 . 1 1 63 63 LEU CA C 63 51.921 51.921 54.906 -2.985 25428 6805 1 18 . 1 1 63 63 LEU CB C 63 39.003 39.003 40.556 -1.553 25428 6806 1 18 . 1 1 64 64 SER N N 64 116.388 116.388 116.705 -0.317 25428 6807 1 18 . 1 1 64 64 SER HA H 64 3.862 3.862 3.932 -0.070 25428 6808 1 18 . 1 1 64 64 SER C C 64 172.812 172.812 176.097 -3.285 25428 6809 1 18 . 1 1 64 64 SER CA C 64 58.914 58.914 61.119 -2.205 25428 6810 1 18 . 1 1 64 64 SER CB C 64 59.851 59.851 62.809 -2.958 25428 6811 1 18 . 1 1 65 65 HIS N N 65 117.601 117.601 117.138 0.463 25428 6812 1 18 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.567 0.146 25428 6813 1 18 . 1 1 65 65 HIS C C 65 171.008 171.008 175.024 -4.016 25428 6814 1 18 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.643 -3.407 25428 6815 1 18 . 1 1 65 65 HIS CB C 65 25.765 25.765 29.538 -3.773 25428 6816 1 18 . 1 1 66 66 VAL N N 66 121.466 121.466 121.417 0.049 25428 6817 1 18 . 1 1 66 66 VAL HA H 66 3.857 3.857 3.925 -0.068 25428 6818 1 18 . 1 1 66 66 VAL C C 66 172.336 172.336 177.309 -4.973 25428 6819 1 18 . 1 1 66 66 VAL CA C 66 59.147 59.147 63.409 -4.262 25428 6820 1 18 . 1 1 66 66 VAL CB C 66 29.577 29.577 32.629 -3.052 25428 6821 1 18 . 1 1 67 67 GLN N N 67 127.282 127.282 123.345 3.937 25428 6822 1 18 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.168 -0.019 25428 6823 1 18 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.083 -2.983 25428 6824 1 18 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.866 -2.551 25428 6825 1 18 . 1 1 68 68 ASN N N 68 117.044 117.044 119.687 -2.643 25428 6826 1 18 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.832 0.103 25428 6827 1 18 . 1 1 68 68 ASN CA C 68 48.730 48.730 52.863 -4.133 25428 6828 1 18 . 1 1 68 68 ASN CB C 68 35.131 35.131 39.058 -3.927 25428 6829 1 18 . 1 1 69 69 LYS N N 69 125.145 125.145 124.906 0.239 25428 6830 1 18 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.119 -0.186 25428 6831 1 18 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.278 -1.673 25428 6832 1 18 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.202 -1.907 25428 6833 1 18 . 1 1 70 70 SER N N 70 116.020 116.020 115.357 0.663 25428 6834 1 18 . 1 1 70 70 SER HA H 70 4.220 4.220 4.142 0.078 25428 6835 1 18 . 1 1 70 70 SER CA C 70 59.898 59.898 61.727 -1.829 25428 6836 1 18 . 1 1 70 70 SER CB C 70 59.848 59.848 62.571 -2.723 25428 6837 1 18 . 1 1 71 71 ALA N N 71 123.444 123.444 123.886 -0.442 25428 6838 1 18 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.162 -0.188 25428 6839 1 18 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.796 -2.926 25428 6840 1 18 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.068 -3.001 25428 6841 1 18 . 1 1 72 72 PHE N N 72 120.178 120.178 119.887 0.291 25428 6842 1 18 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.307 -0.165 25428 6843 1 18 . 1 1 72 72 PHE C C 72 175.653 175.653 177.047 -1.394 25428 6844 1 18 . 1 1 72 72 PHE CA C 72 58.917 58.917 60.820 -1.903 25428 6845 1 18 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.389 -2.035 25428 6846 1 18 . 1 1 73 73 LEU N N 73 121.921 121.921 121.411 0.510 25428 6847 1 18 . 1 1 73 73 LEU HA H 73 3.753 3.753 4.040 -0.287 25428 6848 1 18 . 1 1 73 73 LEU C C 73 175.921 175.921 178.584 -2.663 25428 6849 1 18 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.858 -3.174 25428 6850 1 18 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.507 -4.083 25428 6851 1 18 . 1 1 74 74 CYS N N 74 116.964 116.964 116.131 0.833 25428 6852 1 18 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.324 -0.212 25428 6853 1 18 . 1 1 74 74 CYS C C 74 174.901 174.901 177.452 -2.551 25428 6854 1 18 . 1 1 74 74 CYS CA C 74 61.104 61.104 61.688 -0.584 25428 6855 1 18 . 1 1 74 74 CYS CB C 74 23.632 23.632 25.791 -2.159 25428 6856 1 18 . 1 1 75 75 GLY N N 75 110.524 110.524 108.945 1.579 25428 6857 1 18 . 1 1 75 75 GLY C C 75 173.633 173.633 175.960 -2.327 25428 6858 1 18 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.066 -2.681 25428 6859 1 18 . 1 1 76 76 VAL N N 76 124.398 124.398 123.757 0.641 25428 6860 1 18 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.607 -0.096 25428 6861 1 18 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.398 -3.007 25428 6862 1 18 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.882 -3.383 25428 6863 1 18 . 1 1 77 77 MET N N 77 118.057 118.057 117.749 0.308 25428 6864 1 18 . 1 1 77 77 MET HA H 77 3.755 3.755 4.119 -0.364 25428 6865 1 18 . 1 1 77 77 MET CA C 77 57.770 57.770 59.777 -2.007 25428 6866 1 18 . 1 1 77 77 MET CB C 77 31.029 31.029 32.259 -1.230 25428 6867 1 18 . 1 1 78 78 LYS N N 78 118.765 118.765 119.450 -0.685 25428 6868 1 18 . 1 1 78 78 LYS HA H 78 3.967 3.967 3.971 -0.004 25428 6869 1 18 . 1 1 78 78 LYS CA C 78 57.157 57.157 59.858 -2.701 25428 6870 1 18 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.509 -2.917 25428 6871 1 18 . 1 1 79 79 THR N N 79 114.076 114.076 115.582 -1.506 25428 6872 1 18 . 1 1 79 79 THR HA H 79 3.893 3.893 4.047 -0.154 25428 6873 1 18 . 1 1 79 79 THR CA C 79 62.715 62.715 66.730 -4.015 25428 6874 1 18 . 1 1 79 79 THR CB C 79 65.978 65.978 68.517 -2.539 25428 6875 1 18 . 1 1 80 80 TYR N N 80 123.194 123.194 121.807 1.387 25428 6876 1 18 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.252 -0.234 25428 6877 1 18 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.695 -2.863 25428 6878 1 18 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.423 -2.264 25428 6879 1 18 . 1 1 81 81 ARG N N 81 118.541 118.541 115.614 2.927 25428 6880 1 18 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.264 -0.208 25428 6881 1 18 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.325 -2.136 25428 6882 1 18 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.799 -3.129 25428 6883 1 18 . 1 1 82 82 GLN N N 82 117.664 117.664 119.430 -1.766 25428 6884 1 18 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.527 -0.416 25428 6885 1 18 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.285 -1.405 25428 6886 1 18 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.690 -3.702 25428 6887 1 18 . 1 1 83 83 ARG N N 83 119.552 119.552 121.196 -1.644 25428 6888 1 18 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.535 -0.420 25428 6889 1 18 . 1 1 83 83 ARG CA C 83 53.889 53.889 56.125 -2.236 25428 6890 1 18 . 1 1 83 83 ARG CB C 83 27.811 27.811 31.637 -3.826 25428 6891 1 18 . 1 1 84 84 GLU N N 84 121.362 121.362 124.471 -3.109 25428 6892 1 18 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.473 -0.340 25428 6893 1 18 . 1 1 84 84 GLU CA C 84 53.838 53.838 56.458 -2.620 25428 6894 1 18 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.361 -2.916 25428 6895 1 19 . 1 1 2 2 SER N N 2 119.046 119.046 114.975 4.071 25428 6896 1 19 . 1 1 2 2 SER HA H 2 4.509 4.509 4.854 -0.344 25428 6897 1 19 . 1 1 2 2 SER C C 2 172.827 172.827 175.146 -2.319 25428 6898 1 19 . 1 1 2 2 SER CA C 2 55.872 55.872 57.349 -1.477 25428 6899 1 19 . 1 1 2 2 SER CB C 2 61.645 61.645 65.965 -4.320 25428 6900 1 19 . 1 1 3 3 GLU N N 3 121.401 121.401 121.197 0.204 25428 6901 1 19 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.016 0.156 25428 6902 1 19 . 1 1 3 3 GLU C C 3 174.375 174.375 178.035 -3.660 25428 6903 1 19 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.295 -3.650 25428 6904 1 19 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.338 -3.075 25428 6905 1 19 . 1 1 4 4 ASN N N 4 117.467 117.467 117.884 -0.417 25428 6906 1 19 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.383 0.156 25428 6907 1 19 . 1 1 4 4 ASN C C 4 172.792 172.792 176.970 -4.178 25428 6908 1 19 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.450 -3.882 25428 6909 1 19 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.211 -1.583 25428 6910 1 19 . 1 1 5 5 PHE N N 5 121.588 121.588 121.923 -0.335 25428 6911 1 19 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.108 -0.129 25428 6912 1 19 . 1 1 5 5 PHE CA C 5 58.679 58.679 62.104 -3.425 25428 6913 1 19 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.775 -2.549 25428 6914 1 19 . 1 1 6 6 GLN N N 6 117.868 117.868 117.263 0.605 25428 6915 1 19 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.785 -0.307 25428 6916 1 19 . 1 1 6 6 GLN C C 6 174.670 174.670 178.217 -3.547 25428 6917 1 19 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.683 -3.382 25428 6918 1 19 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.944 -2.687 25428 6919 1 19 . 1 1 7 7 THR N N 7 114.124 114.124 115.537 -1.413 25428 6920 1 19 . 1 1 7 7 THR HA H 7 3.862 3.862 4.038 -0.176 25428 6921 1 19 . 1 1 7 7 THR C C 7 173.949 173.949 176.645 -2.696 25428 6922 1 19 . 1 1 7 7 THR CA C 7 62.909 62.909 65.193 -2.284 25428 6923 1 19 . 1 1 7 7 THR CB C 7 65.814 65.814 68.472 -2.658 25428 6924 1 19 . 1 1 8 8 LEU N N 8 121.809 121.809 122.379 -0.570 25428 6925 1 19 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.112 -0.219 25428 6926 1 19 . 1 1 8 8 LEU C C 8 175.915 175.915 178.310 -2.395 25428 6927 1 19 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.449 -2.837 25428 6928 1 19 . 1 1 8 8 LEU CB C 8 39.027 39.027 40.953 -1.926 25428 6929 1 19 . 1 1 9 9 LEU N N 9 119.407 119.407 117.095 2.312 25428 6930 1 19 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.003 -0.004 25428 6931 1 19 . 1 1 9 9 LEU C C 9 179.642 179.642 178.280 1.362 25428 6932 1 19 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.712 -2.318 25428 6933 1 19 . 1 1 9 9 LEU CB C 9 38.343 38.343 40.926 -2.583 25428 6934 1 19 . 1 1 10 10 ASP N N 10 122.019 122.019 117.521 4.498 25428 6935 1 19 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.598 -0.369 25428 6936 1 19 . 1 1 10 10 ASP C C 10 174.743 174.743 177.003 -2.260 25428 6937 1 19 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.202 -1.373 25428 6938 1 19 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.419 -4.454 25428 6939 1 19 . 1 1 11 11 ALA N N 11 121.088 121.088 121.302 -0.214 25428 6940 1 19 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.203 0.005 25428 6941 1 19 . 1 1 11 11 ALA C C 11 174.553 174.553 177.141 -2.588 25428 6942 1 19 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.608 -2.926 25428 6943 1 19 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.806 -3.415 25428 6944 1 19 . 1 1 12 12 GLY N N 12 104.096 104.096 104.966 -0.870 25428 6945 1 19 . 1 1 12 12 GLY C C 12 172.183 172.183 174.496 -2.313 25428 6946 1 19 . 1 1 12 12 GLY CA C 12 42.150 42.150 45.331 -3.181 25428 6947 1 19 . 1 1 13 13 LEU N N 13 120.523 120.523 120.358 0.165 25428 6948 1 19 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.815 -0.450 25428 6949 1 19 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.679 -1.526 25428 6950 1 19 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.687 -4.201 25428 6951 1 19 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.609 -0.258 25428 6952 1 19 . 1 1 14 14 PRO C C 14 174.611 174.611 177.251 -2.640 25428 6953 1 19 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.371 -2.643 25428 6954 1 19 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.846 -3.043 25428 6955 1 19 . 1 1 15 15 GLN N N 15 124.429 124.429 122.516 1.913 25428 6956 1 19 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.994 -0.305 25428 6957 1 19 . 1 1 15 15 GLN C C 15 174.848 174.848 177.684 -2.836 25428 6958 1 19 . 1 1 15 15 GLN CA C 15 57.850 57.850 59.938 -2.088 25428 6959 1 19 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.792 -3.459 25428 6960 1 19 . 1 1 16 16 LYS N N 16 115.638 115.638 117.217 -1.579 25428 6961 1 19 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.180 -0.158 25428 6962 1 19 . 1 1 16 16 LYS C C 16 176.800 176.800 177.949 -1.149 25428 6963 1 19 . 1 1 16 16 LYS CA C 16 56.624 56.624 58.682 -2.058 25428 6964 1 19 . 1 1 16 16 LYS CB C 16 29.837 29.837 32.049 -2.212 25428 6965 1 19 . 1 1 17 17 VAL N N 17 118.513 118.513 118.952 -0.439 25428 6966 1 19 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.735 -0.345 25428 6967 1 19 . 1 1 17 17 VAL C C 17 173.946 173.946 177.741 -3.795 25428 6968 1 19 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.977 -3.166 25428 6969 1 19 . 1 1 17 17 VAL CB C 17 29.088 29.088 32.062 -2.974 25428 6970 1 19 . 1 1 18 18 ALA N N 18 121.811 121.811 122.465 -0.654 25428 6971 1 19 . 1 1 18 18 ALA HA H 18 3.733 3.733 4.002 -0.269 25428 6972 1 19 . 1 1 18 18 ALA C C 18 176.571 176.571 179.939 -3.368 25428 6973 1 19 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.485 -2.966 25428 6974 1 19 . 1 1 18 18 ALA CB C 18 15.616 15.616 18.021 -2.405 25428 6975 1 19 . 1 1 19 19 GLU N N 19 116.183 116.183 116.191 -0.008 25428 6976 1 19 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.208 -0.295 25428 6977 1 19 . 1 1 19 19 GLU C C 19 176.184 176.184 178.361 -2.177 25428 6978 1 19 . 1 1 19 19 GLU CA C 19 56.832 56.832 58.615 -1.783 25428 6979 1 19 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.784 -2.670 25428 6980 1 19 . 1 1 20 20 LYS N N 20 120.202 120.202 116.565 3.637 25428 6981 1 19 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.421 -0.358 25428 6982 1 19 . 1 1 20 20 LYS C C 20 175.707 175.707 177.293 -1.586 25428 6983 1 19 . 1 1 20 20 LYS CA C 20 54.340 54.340 56.551 -2.211 25428 6984 1 19 . 1 1 20 20 LYS CB C 20 27.152 27.152 33.451 -6.299 25428 6985 1 19 . 1 1 21 21 LEU N N 21 120.188 120.188 120.494 -0.306 25428 6986 1 19 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.382 -0.478 25428 6987 1 19 . 1 1 21 21 LEU C C 21 175.138 175.138 178.185 -3.047 25428 6988 1 19 . 1 1 21 21 LEU CA C 21 54.762 54.762 55.950 -1.188 25428 6989 1 19 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.593 -4.204 25428 6990 1 19 . 1 1 22 22 ASP N N 22 118.729 118.729 121.605 -2.876 25428 6991 1 19 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.550 -0.125 25428 6992 1 19 . 1 1 22 22 ASP C C 22 175.147 175.147 178.411 -3.264 25428 6993 1 19 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.914 -2.638 25428 6994 1 19 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.669 -1.366 25428 6995 1 19 . 1 1 23 23 GLU N N 23 117.201 117.201 119.257 -2.056 25428 6996 1 19 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.083 -0.194 25428 6997 1 19 . 1 1 23 23 GLU C C 23 177.140 177.140 178.619 -1.479 25428 6998 1 19 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.304 -2.555 25428 6999 1 19 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.341 -2.300 25428 7000 1 19 . 1 1 24 24 ILE N N 24 121.465 121.465 118.869 2.596 25428 7001 1 19 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.691 -0.084 25428 7002 1 19 . 1 1 24 24 ILE C C 24 174.918 174.918 177.060 -2.142 25428 7003 1 19 . 1 1 24 24 ILE CA C 24 63.184 63.184 63.140 0.044 25428 7004 1 19 . 1 1 24 24 ILE CB C 24 34.967 34.967 36.743 -1.776 25428 7005 1 19 . 1 1 25 25 TYR N N 25 120.955 120.955 114.244 6.711 25428 7006 1 19 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.796 0.016 25428 7007 1 19 . 1 1 25 25 TYR C C 25 179.018 179.018 176.512 2.506 25428 7008 1 19 . 1 1 25 25 TYR CA C 25 56.172 56.172 57.386 -1.214 25428 7009 1 19 . 1 1 25 25 TYR CB C 25 34.419 34.419 37.745 -3.325 25428 7010 1 19 . 1 1 26 26 VAL N N 26 123.429 123.429 118.277 5.152 25428 7011 1 19 . 1 1 26 26 VAL HA H 26 3.591 3.591 4.127 -0.536 25428 7012 1 19 . 1 1 26 26 VAL C C 26 175.383 175.383 176.629 -1.246 25428 7013 1 19 . 1 1 26 26 VAL CA C 26 63.501 63.501 62.672 0.829 25428 7014 1 19 . 1 1 26 26 VAL CB C 26 28.993 28.993 32.959 -3.966 25428 7015 1 19 . 1 1 27 27 ALA N N 27 120.082 120.082 122.240 -2.158 25428 7016 1 19 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.380 -0.175 25428 7017 1 19 . 1 1 27 27 ALA C C 27 175.640 175.640 177.931 -2.291 25428 7018 1 19 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.113 -1.843 25428 7019 1 19 . 1 1 27 27 ALA CB C 27 15.992 15.992 18.847 -2.855 25428 7020 1 19 . 1 1 28 28 GLY N N 28 105.543 105.543 106.224 -0.681 25428 7021 1 19 . 1 1 28 28 GLY C C 28 172.315 172.315 175.101 -2.786 25428 7022 1 19 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.884 -3.345 25428 7023 1 19 . 1 1 29 29 LEU N N 29 119.155 119.155 119.413 -0.258 25428 7024 1 19 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.151 -0.146 25428 7025 1 19 . 1 1 29 29 LEU C C 29 173.807 173.807 176.604 -2.797 25428 7026 1 19 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.681 -2.601 25428 7027 1 19 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.537 -2.751 25428 7028 1 19 . 1 1 30 30 VAL N N 30 109.334 109.334 110.953 -1.619 25428 7029 1 19 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.528 -0.312 25428 7030 1 19 . 1 1 30 30 VAL C C 30 170.244 170.244 176.867 -6.623 25428 7031 1 19 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.154 -2.710 25428 7032 1 19 . 1 1 30 30 VAL CB C 30 32.365 32.365 33.640 -1.275 25428 7033 1 19 . 1 1 31 31 ALA N N 31 126.238 126.238 126.433 -0.195 25428 7034 1 19 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.263 0.296 25428 7035 1 19 . 1 1 31 31 ALA C C 31 176.016 176.016 177.862 -1.846 25428 7036 1 19 . 1 1 31 31 ALA CA C 31 47.470 47.470 52.468 -4.998 25428 7037 1 19 . 1 1 31 31 ALA CB C 31 18.040 18.040 18.316 -0.276 25428 7038 1 19 . 1 1 32 32 HIS N N 32 120.680 120.680 111.833 8.847 25428 7039 1 19 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.280 0.710 25428 7040 1 19 . 1 1 32 32 HIS C C 32 174.379 174.379 174.049 0.330 25428 7041 1 19 . 1 1 32 32 HIS CA C 32 56.668 56.668 58.196 -1.528 25428 7042 1 19 . 1 1 32 32 HIS CB C 32 26.452 26.452 27.416 -0.965 25428 7043 1 19 . 1 1 33 33 SER N N 33 109.997 109.997 116.036 -6.039 25428 7044 1 19 . 1 1 33 33 SER HA H 33 4.125 4.125 4.524 -0.399 25428 7045 1 19 . 1 1 33 33 SER C C 33 172.444 172.444 174.736 -2.292 25428 7046 1 19 . 1 1 33 33 SER CA C 33 56.158 56.158 57.812 -1.653 25428 7047 1 19 . 1 1 33 33 SER CB C 33 60.045 60.045 63.733 -3.688 25428 7048 1 19 . 1 1 34 34 ASP N N 34 119.785 119.785 123.242 -3.457 25428 7049 1 19 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.583 -0.063 25428 7050 1 19 . 1 1 34 34 ASP CA C 34 53.516 53.516 54.233 -0.717 25428 7051 1 19 . 1 1 34 34 ASP CB C 34 39.490 39.490 39.954 -0.464 25428 7052 1 19 . 1 1 35 35 LEU N N 35 118.248 118.248 117.784 0.464 25428 7053 1 19 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.570 -0.117 25428 7054 1 19 . 1 1 35 35 LEU CA C 35 50.364 50.364 53.712 -3.348 25428 7055 1 19 . 1 1 35 35 LEU CB C 35 38.642 38.642 44.571 -5.929 25428 7056 1 19 . 1 1 36 36 ASP N N 36 122.922 122.922 117.433 5.489 25428 7057 1 19 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.884 -0.459 25428 7058 1 19 . 1 1 36 36 ASP C C 36 173.050 173.050 176.603 -3.553 25428 7059 1 19 . 1 1 36 36 ASP CA C 36 49.746 49.746 52.550 -2.804 25428 7060 1 19 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.794 -3.625 25428 7061 1 19 . 1 1 37 37 GLU N N 37 119.277 119.277 121.363 -2.086 25428 7062 1 19 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.023 -0.197 25428 7063 1 19 . 1 1 37 37 GLU C C 37 175.878 175.878 178.113 -2.235 25428 7064 1 19 . 1 1 37 37 GLU CA C 37 56.924 56.924 60.422 -3.498 25428 7065 1 19 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.609 -3.198 25428 7066 1 19 . 1 1 38 38 ARG N N 38 117.965 117.965 117.522 0.443 25428 7067 1 19 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.068 -0.136 25428 7068 1 19 . 1 1 38 38 ARG C C 38 176.285 176.285 178.418 -2.133 25428 7069 1 19 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.729 -2.923 25428 7070 1 19 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.499 1.467 25428 7071 1 19 . 1 1 39 39 ALA N N 39 123.247 123.247 122.636 0.611 25428 7072 1 19 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.178 -0.300 25428 7073 1 19 . 1 1 39 39 ALA C C 39 175.872 175.872 179.525 -3.653 25428 7074 1 19 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.642 -2.400 25428 7075 1 19 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.612 -3.421 25428 7076 1 19 . 1 1 40 40 ILE N N 40 116.462 116.462 118.753 -2.291 25428 7077 1 19 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.659 -0.215 25428 7078 1 19 . 1 1 40 40 ILE C C 40 175.056 175.056 177.890 -2.834 25428 7079 1 19 . 1 1 40 40 ILE CA C 40 60.848 60.848 65.027 -4.179 25428 7080 1 19 . 1 1 40 40 ILE CB C 40 33.621 33.621 37.789 -4.168 25428 7081 1 19 . 1 1 41 41 GLU N N 41 117.817 117.817 119.903 -2.086 25428 7082 1 19 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.904 -0.119 25428 7083 1 19 . 1 1 41 41 GLU C C 41 176.503 176.503 179.165 -2.662 25428 7084 1 19 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.349 -2.938 25428 7085 1 19 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.814 -3.454 25428 7086 1 19 . 1 1 42 42 ALA N N 42 120.852 120.852 121.789 -0.937 25428 7087 1 19 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.181 -0.113 25428 7088 1 19 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.533 -2.556 25428 7089 1 19 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.343 -3.014 25428 7090 1 19 . 1 1 43 43 LEU N N 43 120.443 120.443 118.637 1.806 25428 7091 1 19 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.113 0.026 25428 7092 1 19 . 1 1 43 43 LEU C C 43 176.351 176.351 178.810 -2.459 25428 7093 1 19 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.453 -2.600 25428 7094 1 19 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.881 -2.295 25428 7095 1 19 . 1 1 44 44 LYS N N 44 116.644 116.644 115.521 1.123 25428 7096 1 19 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.141 -0.116 25428 7097 1 19 . 1 1 44 44 LYS C C 44 174.406 174.406 177.540 -3.134 25428 7098 1 19 . 1 1 44 44 LYS CA C 44 55.431 55.431 57.633 -2.202 25428 7099 1 19 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.014 -2.341 25428 7100 1 19 . 1 1 45 45 GLU N N 45 115.882 115.882 118.092 -2.210 25428 7101 1 19 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.283 -0.269 25428 7102 1 19 . 1 1 45 45 GLU C C 45 174.383 174.383 175.796 -1.413 25428 7103 1 19 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.075 -1.794 25428 7104 1 19 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.584 -2.587 25428 7105 1 19 . 1 1 46 46 PHE N N 46 118.293 118.293 119.000 -0.707 25428 7106 1 19 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.564 -0.216 25428 7107 1 19 . 1 1 46 46 PHE C C 46 173.933 173.933 173.959 -0.026 25428 7108 1 19 . 1 1 46 46 PHE CA C 46 55.339 55.339 56.727 -1.389 25428 7109 1 19 . 1 1 46 46 PHE CB C 46 38.417 38.417 41.416 -2.999 25428 7110 1 19 . 1 1 47 47 ASN N N 47 117.552 117.552 120.891 -3.339 25428 7111 1 19 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.693 -0.086 25428 7112 1 19 . 1 1 47 47 ASN C C 47 172.500 172.500 176.181 -3.681 25428 7113 1 19 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.904 -3.244 25428 7114 1 19 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.141 -3.955 25428 7115 1 19 . 1 1 48 48 GLU N N 48 121.194 121.194 120.311 0.883 25428 7116 1 19 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.925 -0.247 25428 7117 1 19 . 1 1 48 48 GLU C C 48 174.313 174.313 178.055 -3.742 25428 7118 1 19 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.439 -2.053 25428 7119 1 19 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.628 -2.034 25428 7120 1 19 . 1 1 49 49 ASP N N 49 115.316 115.316 115.796 -0.480 25428 7121 1 19 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.520 -0.297 25428 7122 1 19 . 1 1 49 49 ASP C C 49 176.778 176.778 177.078 -0.300 25428 7123 1 19 . 1 1 49 49 ASP CA C 49 54.688 54.688 55.480 -0.792 25428 7124 1 19 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.443 -3.002 25428 7125 1 19 . 1 1 50 50 GLY N N 50 109.745 109.745 107.534 2.211 25428 7126 1 19 . 1 1 50 50 GLY C C 50 171.469 171.469 174.840 -3.371 25428 7127 1 19 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.007 -1.666 25428 7128 1 19 . 1 1 51 51 ALA N N 51 123.698 123.698 125.049 -1.351 25428 7129 1 19 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.721 -0.354 25428 7130 1 19 . 1 1 51 51 ALA C C 51 177.022 177.022 179.563 -2.541 25428 7131 1 19 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.912 -2.749 25428 7132 1 19 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.326 -1.516 25428 7133 1 19 . 1 1 52 52 LEU N N 52 115.728 115.728 118.116 -2.388 25428 7134 1 19 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.923 -0.135 25428 7135 1 19 . 1 1 52 52 LEU C C 52 176.760 176.760 178.846 -2.086 25428 7136 1 19 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.618 -2.357 25428 7137 1 19 . 1 1 52 52 LEU CB C 52 38.006 38.006 40.522 -2.516 25428 7138 1 19 . 1 1 53 53 ALA N N 53 123.490 123.490 121.240 2.250 25428 7139 1 19 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.874 0.146 25428 7140 1 19 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.589 -2.151 25428 7141 1 19 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.940 -2.494 25428 7142 1 19 . 1 1 54 54 VAL N N 54 119.648 119.648 118.180 1.468 25428 7143 1 19 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.196 -0.118 25428 7144 1 19 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.193 -3.244 25428 7145 1 19 . 1 1 54 54 VAL CB C 54 28.357 28.357 31.122 -2.765 25428 7146 1 19 . 1 1 55 55 LEU N N 55 118.185 118.185 119.101 -0.916 25428 7147 1 19 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.925 -0.084 25428 7148 1 19 . 1 1 55 55 LEU C C 55 175.988 175.988 179.035 -3.047 25428 7149 1 19 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.831 -3.176 25428 7150 1 19 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.284 -2.434 25428 7151 1 19 . 1 1 56 56 GLN N N 56 120.271 120.271 117.812 2.459 25428 7152 1 19 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.876 -0.121 25428 7153 1 19 . 1 1 56 56 GLN C C 56 174.357 174.357 178.281 -3.924 25428 7154 1 19 . 1 1 56 56 GLN CA C 56 55.719 55.719 58.999 -3.280 25428 7155 1 19 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.245 -3.029 25428 7156 1 19 . 1 1 57 57 GLN N N 57 117.610 117.610 119.045 -1.435 25428 7157 1 19 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.276 -0.281 25428 7158 1 19 . 1 1 57 57 GLN C C 57 177.125 177.125 178.182 -1.057 25428 7159 1 19 . 1 1 57 57 GLN CA C 57 56.060 56.060 57.617 -1.557 25428 7160 1 19 . 1 1 57 57 GLN CB C 57 25.148 25.148 29.371 -4.223 25428 7161 1 19 . 1 1 58 58 PHE N N 58 120.365 120.365 119.652 0.713 25428 7162 1 19 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.432 -0.232 25428 7163 1 19 . 1 1 58 58 PHE C C 58 172.960 172.960 176.477 -3.517 25428 7164 1 19 . 1 1 58 58 PHE CA C 58 58.622 58.622 60.620 -1.998 25428 7165 1 19 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.145 -1.836 25428 7166 1 19 . 1 1 59 59 LYS N N 59 117.757 117.757 116.585 1.172 25428 7167 1 19 . 1 1 59 59 LYS HA H 59 3.627 3.627 4.125 -0.498 25428 7168 1 19 . 1 1 59 59 LYS C C 59 174.015 174.015 177.060 -3.045 25428 7169 1 19 . 1 1 59 59 LYS CA C 59 56.227 56.227 55.523 0.704 25428 7170 1 19 . 1 1 59 59 LYS CB C 59 29.478 29.478 33.439 -3.961 25428 7171 1 19 . 1 1 60 60 ASP N N 60 116.580 116.580 122.012 -5.432 25428 7172 1 19 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.670 -0.040 25428 7173 1 19 . 1 1 60 60 ASP C C 60 174.154 174.154 175.380 -1.226 25428 7174 1 19 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.210 -2.456 25428 7175 1 19 . 1 1 60 60 ASP CB C 60 38.013 38.013 39.326 -1.313 25428 7176 1 19 . 1 1 61 61 SER N N 61 117.142 117.142 114.989 2.153 25428 7177 1 19 . 1 1 61 61 SER HA H 61 4.383 4.383 4.591 -0.208 25428 7178 1 19 . 1 1 61 61 SER C C 61 169.538 169.538 172.411 -2.873 25428 7179 1 19 . 1 1 61 61 SER CA C 61 56.682 56.682 57.709 -1.027 25428 7180 1 19 . 1 1 61 61 SER CB C 61 61.698 61.698 66.566 -4.868 25428 7181 1 19 . 1 1 62 62 ASP N N 62 120.580 120.580 121.601 -1.021 25428 7182 1 19 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.719 -0.169 25428 7183 1 19 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.433 -3.167 25428 7184 1 19 . 1 1 62 62 ASP CB C 62 36.179 36.179 41.383 -5.204 25428 7185 1 19 . 1 1 63 63 LEU N N 63 126.269 126.269 125.662 0.607 25428 7186 1 19 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.323 -0.512 25428 7187 1 19 . 1 1 63 63 LEU CA C 63 51.921 51.921 53.401 -1.480 25428 7188 1 19 . 1 1 63 63 LEU CB C 63 39.003 39.003 42.089 -3.086 25428 7189 1 19 . 1 1 64 64 SER N N 64 116.388 116.388 117.909 -1.521 25428 7190 1 19 . 1 1 64 64 SER HA H 64 3.862 3.862 3.921 -0.059 25428 7191 1 19 . 1 1 64 64 SER C C 64 172.812 172.812 173.970 -1.158 25428 7192 1 19 . 1 1 64 64 SER CA C 64 58.914 58.914 59.417 -0.503 25428 7193 1 19 . 1 1 64 64 SER CB C 64 59.851 59.851 62.182 -2.331 25428 7194 1 19 . 1 1 65 65 HIS N N 65 117.601 117.601 117.556 0.045 25428 7195 1 19 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.094 0.619 25428 7196 1 19 . 1 1 65 65 HIS C C 65 171.008 171.008 174.734 -3.726 25428 7197 1 19 . 1 1 65 65 HIS CA C 65 52.236 52.236 56.540 -4.304 25428 7198 1 19 . 1 1 65 65 HIS CB C 65 25.765 25.765 26.848 -1.083 25428 7199 1 19 . 1 1 66 66 VAL N N 66 121.466 121.466 120.266 1.200 25428 7200 1 19 . 1 1 66 66 VAL HA H 66 3.857 3.857 3.955 -0.098 25428 7201 1 19 . 1 1 66 66 VAL C C 66 172.336 172.336 176.407 -4.071 25428 7202 1 19 . 1 1 66 66 VAL CA C 66 59.147 59.147 63.269 -4.122 25428 7203 1 19 . 1 1 66 66 VAL CB C 66 29.577 29.577 32.483 -2.905 25428 7204 1 19 . 1 1 67 67 GLN N N 67 127.282 127.282 129.465 -2.183 25428 7205 1 19 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.129 0.020 25428 7206 1 19 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.843 -3.743 25428 7207 1 19 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.748 -2.433 25428 7208 1 19 . 1 1 68 68 ASN N N 68 117.044 117.044 118.770 -1.726 25428 7209 1 19 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.681 0.254 25428 7210 1 19 . 1 1 68 68 ASN CA C 68 48.730 48.730 53.729 -4.999 25428 7211 1 19 . 1 1 68 68 ASN CB C 68 35.131 35.131 37.209 -2.078 25428 7212 1 19 . 1 1 69 69 LYS N N 69 125.145 125.145 121.573 3.572 25428 7213 1 19 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.072 -0.139 25428 7214 1 19 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.388 -1.783 25428 7215 1 19 . 1 1 69 69 LYS CB C 69 30.295 30.295 31.940 -1.645 25428 7216 1 19 . 1 1 70 70 SER N N 70 116.020 116.020 114.140 1.880 25428 7217 1 19 . 1 1 70 70 SER HA H 70 4.220 4.220 4.135 0.085 25428 7218 1 19 . 1 1 70 70 SER CA C 70 59.898 59.898 61.541 -1.643 25428 7219 1 19 . 1 1 70 70 SER CB C 70 59.848 59.848 62.660 -2.812 25428 7220 1 19 . 1 1 71 71 ALA N N 71 123.444 123.444 125.244 -1.800 25428 7221 1 19 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.106 -0.132 25428 7222 1 19 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.483 -2.613 25428 7223 1 19 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.370 -3.303 25428 7224 1 19 . 1 1 72 72 PHE N N 72 120.178 120.178 119.536 0.642 25428 7225 1 19 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.273 -0.131 25428 7226 1 19 . 1 1 72 72 PHE C C 72 175.653 175.653 177.145 -1.492 25428 7227 1 19 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.280 -2.363 25428 7228 1 19 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.488 -2.134 25428 7229 1 19 . 1 1 73 73 LEU N N 73 121.921 121.921 121.911 0.010 25428 7230 1 19 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.908 -0.155 25428 7231 1 19 . 1 1 73 73 LEU C C 73 175.921 175.921 178.314 -2.393 25428 7232 1 19 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.771 -3.087 25428 7233 1 19 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.351 -3.927 25428 7234 1 19 . 1 1 74 74 CYS N N 74 116.964 116.964 117.213 -0.249 25428 7235 1 19 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.315 -0.203 25428 7236 1 19 . 1 1 74 74 CYS C C 74 174.901 174.901 177.348 -2.447 25428 7237 1 19 . 1 1 74 74 CYS CA C 74 61.104 61.104 62.502 -1.398 25428 7238 1 19 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.702 -3.070 25428 7239 1 19 . 1 1 75 75 GLY N N 75 110.524 110.524 108.837 1.687 25428 7240 1 19 . 1 1 75 75 GLY C C 75 173.633 173.633 175.634 -2.001 25428 7241 1 19 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.078 -2.692 25428 7242 1 19 . 1 1 76 76 VAL N N 76 124.398 124.398 123.807 0.591 25428 7243 1 19 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.522 -0.011 25428 7244 1 19 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.906 -3.515 25428 7245 1 19 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.922 -3.423 25428 7246 1 19 . 1 1 77 77 MET N N 77 118.057 118.057 118.214 -0.157 25428 7247 1 19 . 1 1 77 77 MET HA H 77 3.755 3.755 3.997 -0.242 25428 7248 1 19 . 1 1 77 77 MET CA C 77 57.770 57.770 60.077 -2.307 25428 7249 1 19 . 1 1 77 77 MET CB C 77 31.029 31.029 32.294 -1.266 25428 7250 1 19 . 1 1 78 78 LYS N N 78 118.765 118.765 118.745 0.020 25428 7251 1 19 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.006 -0.039 25428 7252 1 19 . 1 1 78 78 LYS CA C 78 57.157 57.157 59.715 -2.558 25428 7253 1 19 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.492 -2.900 25428 7254 1 19 . 1 1 79 79 THR N N 79 114.076 114.076 114.860 -0.784 25428 7255 1 19 . 1 1 79 79 THR HA H 79 3.893 3.893 4.319 -0.426 25428 7256 1 19 . 1 1 79 79 THR CA C 79 62.715 62.715 65.793 -3.078 25428 7257 1 19 . 1 1 79 79 THR CB C 79 65.978 65.978 68.418 -2.440 25428 7258 1 19 . 1 1 80 80 TYR N N 80 123.194 123.194 120.765 2.429 25428 7259 1 19 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.244 -0.226 25428 7260 1 19 . 1 1 80 80 TYR CA C 80 58.832 58.832 63.027 -4.195 25428 7261 1 19 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.428 -2.269 25428 7262 1 19 . 1 1 81 81 ARG N N 81 118.541 118.541 117.259 1.282 25428 7263 1 19 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.426 -0.370 25428 7264 1 19 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.733 -2.544 25428 7265 1 19 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.521 -2.852 25428 7266 1 19 . 1 1 82 82 GLN N N 82 117.664 117.664 119.886 -2.222 25428 7267 1 19 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.621 -0.510 25428 7268 1 19 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.548 -1.668 25428 7269 1 19 . 1 1 82 82 GLN CB C 82 25.988 25.988 30.390 -4.402 25428 7270 1 19 . 1 1 83 83 ARG N N 83 119.552 119.552 119.127 0.425 25428 7271 1 19 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.507 -0.392 25428 7272 1 19 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.428 -1.539 25428 7273 1 19 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.616 -2.805 25428 7274 1 19 . 1 1 84 84 GLU N N 84 121.362 121.362 122.348 -0.986 25428 7275 1 19 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.149 -0.016 25428 7276 1 19 . 1 1 84 84 GLU CA C 84 53.838 53.838 57.340 -3.502 25428 7277 1 19 . 1 1 84 84 GLU CB C 84 27.445 27.445 29.766 -2.321 25428 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 82 1.970 0.168 1.975 25428 2 1 1 "Average Difference" HA 80 0.253 0.154 0.203 25428 3 1 1 "Average Difference" C 60 2.954 2.757 1.071 25428 4 1 1 "Average Difference" CA 83 2.735 2.605 0.840 25428 5 1 1 "Average Difference" CB 79 2.938 2.790 0.927 25428 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25428 7 1 2 "Average Difference" N 82 1.914 -0.016 1.925 25428 8 1 2 "Average Difference" HA 80 0.253 0.191 0.168 25428 9 1 2 "Average Difference" C 60 2.877 2.634 1.167 25428 10 1 2 "Average Difference" CA 83 2.622 2.479 0.859 25428 11 1 2 "Average Difference" CB 79 3.004 2.847 0.966 25428 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25428 13 1 3 "Average Difference" N 82 2.167 -0.033 2.181 25428 14 1 3 "Average Difference" HA 80 0.249 0.179 0.174 25428 15 1 3 "Average Difference" C 60 2.892 2.579 1.320 25428 16 1 3 "Average Difference" CA 83 2.711 2.583 0.828 25428 17 1 3 "Average Difference" CB 79 3.069 2.840 1.172 25428 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25428 19 1 4 "Average Difference" N 82 2.156 0.105 2.167 25428 20 1 4 "Average Difference" HA 80 0.281 0.166 0.228 25428 21 1 4 "Average Difference" C 60 2.911 2.670 1.169 25428 22 1 4 "Average Difference" CA 83 2.688 2.557 0.835 25428 23 1 4 "Average Difference" CB 79 2.949 2.765 1.034 25428 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25428 25 1 5 "Average Difference" N 82 2.054 -0.128 2.063 25428 26 1 5 "Average Difference" HA 80 0.254 0.160 0.199 25428 27 1 5 "Average Difference" C 60 2.962 2.717 1.189 25428 28 1 5 "Average Difference" CA 83 2.686 2.558 0.824 25428 29 1 5 "Average Difference" CB 79 3.070 2.894 1.031 25428 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25428 31 1 6 "Average Difference" N 82 1.941 -0.122 1.949 25428 32 1 6 "Average Difference" HA 80 0.237 0.146 0.188 25428 33 1 6 "Average Difference" C 60 2.928 2.699 1.143 25428 34 1 6 "Average Difference" CA 83 2.717 2.609 0.762 25428 35 1 6 "Average Difference" CB 79 2.988 2.817 1.002 25428 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25428 37 1 7 "Average Difference" N 82 2.139 -0.069 2.151 25428 38 1 7 "Average Difference" HA 80 0.266 0.179 0.197 25428 39 1 7 "Average Difference" C 60 2.852 2.579 1.227 25428 40 1 7 "Average Difference" CA 83 2.590 2.441 0.869 25428 41 1 7 "Average Difference" CB 79 3.022 2.857 0.992 25428 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25428 43 1 8 "Average Difference" N 82 1.958 0.183 1.961 25428 44 1 8 "Average Difference" HA 80 0.219 0.148 0.163 25428 45 1 8 "Average Difference" C 60 2.961 2.776 1.038 25428 46 1 8 "Average Difference" CA 83 2.719 2.630 0.693 25428 47 1 8 "Average Difference" CB 79 2.902 2.768 0.878 25428 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25428 49 1 9 "Average Difference" N 82 2.007 -0.250 2.004 25428 50 1 9 "Average Difference" HA 80 0.246 0.180 0.169 25428 51 1 9 "Average Difference" C 60 2.817 2.610 1.067 25428 52 1 9 "Average Difference" CA 83 2.665 2.528 0.848 25428 53 1 9 "Average Difference" CB 79 2.941 2.779 0.970 25428 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25428 55 1 10 "Average Difference" N 82 2.016 -0.068 2.027 25428 56 1 10 "Average Difference" HA 80 0.298 0.157 0.254 25428 57 1 10 "Average Difference" C 60 2.866 2.629 1.150 25428 58 1 10 "Average Difference" CA 83 2.714 2.568 0.883 25428 59 1 10 "Average Difference" CB 79 2.920 2.752 0.983 25428 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 25428 61 1 11 "Average Difference" N 82 2.271 -0.114 2.282 25428 62 1 11 "Average Difference" HA 80 0.237 0.142 0.191 25428 63 1 11 "Average Difference" C 60 2.991 2.735 1.221 25428 64 1 11 "Average Difference" CA 83 2.671 2.542 0.824 25428 65 1 11 "Average Difference" CB 79 2.935 2.760 1.005 25428 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 25428 67 1 12 "Average Difference" N 82 2.080 -0.199 2.083 25428 68 1 12 "Average Difference" HA 80 0.238 0.170 0.169 25428 69 1 12 "Average Difference" C 60 2.892 2.595 1.287 25428 70 1 12 "Average Difference" CA 83 2.664 2.506 0.909 25428 71 1 12 "Average Difference" CB 79 2.916 2.761 0.941 25428 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 25428 73 1 13 "Average Difference" N 82 2.190 -0.106 2.201 25428 74 1 13 "Average Difference" HA 80 0.244 0.175 0.171 25428 75 1 13 "Average Difference" C 60 2.833 2.590 1.159 25428 76 1 13 "Average Difference" CA 83 2.692 2.553 0.859 25428 77 1 13 "Average Difference" CB 79 2.962 2.790 1.002 25428 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 25428 79 1 14 "Average Difference" N 82 2.027 -0.114 2.036 25428 80 1 14 "Average Difference" HA 80 0.248 0.162 0.189 25428 81 1 14 "Average Difference" C 60 2.828 2.610 1.098 25428 82 1 14 "Average Difference" CA 83 2.711 2.558 0.905 25428 83 1 14 "Average Difference" CB 79 2.945 2.789 0.953 25428 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 25428 85 1 15 "Average Difference" N 82 2.288 -0.206 2.293 25428 86 1 15 "Average Difference" HA 80 0.268 0.169 0.209 25428 87 1 15 "Average Difference" C 60 2.849 2.522 1.337 25428 88 1 15 "Average Difference" CA 83 2.642 2.456 0.980 25428 89 1 15 "Average Difference" CB 79 2.971 2.777 1.064 25428 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 25428 91 1 16 "Average Difference" N 82 2.138 -0.116 2.148 25428 92 1 16 "Average Difference" HA 80 0.264 0.137 0.227 25428 93 1 16 "Average Difference" C 60 2.914 2.696 1.115 25428 94 1 16 "Average Difference" CA 83 2.732 2.578 0.910 25428 95 1 16 "Average Difference" CB 79 2.966 2.816 0.939 25428 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 25428 97 1 17 "Average Difference" N 82 2.122 0.008 2.135 25428 98 1 17 "Average Difference" HA 80 0.276 0.176 0.214 25428 99 1 17 "Average Difference" C 60 2.883 2.550 1.358 25428 100 1 17 "Average Difference" CA 83 2.589 2.394 0.992 25428 101 1 17 "Average Difference" CB 79 3.071 2.858 1.131 25428 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 25428 103 1 18 "Average Difference" N 82 2.032 -0.109 2.041 25428 104 1 18 "Average Difference" HA 80 0.241 0.165 0.177 25428 105 1 18 "Average Difference" C 60 2.972 2.659 1.339 25428 106 1 18 "Average Difference" CA 83 2.709 2.539 0.951 25428 107 1 18 "Average Difference" CB 79 2.990 2.818 1.007 25428 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 25428 109 1 19 "Average Difference" N 82 2.405 -0.169 2.414 25428 110 1 19 "Average Difference" HA 80 0.274 0.165 0.220 25428 111 1 19 "Average Difference" C 60 2.779 2.415 1.386 25428 112 1 19 "Average Difference" CA 83 2.665 2.431 1.099 25428 113 1 19 "Average Difference" CB 79 3.056 2.809 1.211 25428 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 25428 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 25428 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER N N 2 119.046 119.046 115.017 4.029 25428 2 1 . 1 1 2 2 SER HA H 2 4.509 4.509 4.786 -0.276 25428 3 1 . 1 1 2 2 SER C C 2 172.827 172.827 175.479 -2.652 25428 4 1 . 1 1 2 2 SER CA C 2 55.872 55.872 56.805 -0.933 25428 5 1 . 1 1 2 2 SER CB C 2 61.645 61.645 64.866 -3.221 25428 6 1 . 1 1 3 3 GLU N N 3 121.401 121.401 121.134 0.267 25428 7 1 . 1 1 3 3 GLU HA H 3 4.172 4.172 4.044 0.128 25428 8 1 . 1 1 3 3 GLU C C 3 174.375 174.375 177.885 -3.510 25428 9 1 . 1 1 3 3 GLU CA C 3 55.645 55.645 59.254 -3.609 25428 10 1 . 1 1 3 3 GLU CB C 3 26.263 26.263 29.294 -3.031 25428 11 1 . 1 1 4 4 ASN N N 4 117.467 117.467 117.936 -0.469 25428 12 1 . 1 1 4 4 ASN HA H 4 4.539 4.539 4.380 0.159 25428 13 1 . 1 1 4 4 ASN C C 4 172.792 172.792 176.923 -4.131 25428 14 1 . 1 1 4 4 ASN CA C 4 51.568 51.568 55.318 -3.750 25428 15 1 . 1 1 4 4 ASN CB C 4 36.628 36.628 38.089 -1.461 25428 16 1 . 1 1 5 5 PHE N N 5 121.588 121.588 121.930 -0.342 25428 17 1 . 1 1 5 5 PHE HA H 5 3.979 3.979 4.118 -0.139 25428 18 1 . 1 1 5 5 PHE CA C 5 58.679 58.679 61.786 -3.107 25428 19 1 . 1 1 5 5 PHE CB C 5 36.226 36.226 38.811 -2.585 25428 20 1 . 1 1 6 6 GLN N N 6 117.868 117.868 117.292 0.576 25428 21 1 . 1 1 6 6 GLN HA H 6 3.478 3.478 3.841 -0.363 25428 22 1 . 1 1 6 6 GLN C C 6 174.670 174.670 178.117 -3.447 25428 23 1 . 1 1 6 6 GLN CA C 6 55.301 55.301 58.807 -3.506 25428 24 1 . 1 1 6 6 GLN CB C 6 25.257 25.257 27.917 -2.660 25428 25 1 . 1 1 7 7 THR N N 7 114.124 114.124 116.700 -2.576 25428 26 1 . 1 1 7 7 THR HA H 7 3.862 3.862 3.954 -0.092 25428 27 1 . 1 1 7 7 THR C C 7 173.949 173.949 176.640 -2.691 25428 28 1 . 1 1 7 7 THR CA C 7 62.909 62.909 66.057 -3.148 25428 29 1 . 1 1 7 7 THR CB C 7 65.814 65.814 68.399 -2.585 25428 30 1 . 1 1 8 8 LEU N N 8 121.809 121.809 121.934 -0.125 25428 31 1 . 1 1 8 8 LEU HA H 8 3.893 3.893 4.033 -0.140 25428 32 1 . 1 1 8 8 LEU C C 8 175.915 175.915 178.578 -2.663 25428 33 1 . 1 1 8 8 LEU CA C 8 54.612 54.612 57.623 -3.011 25428 34 1 . 1 1 8 8 LEU CB C 8 39.027 39.027 41.159 -2.132 25428 35 1 . 1 1 9 9 LEU N N 9 119.407 119.407 117.101 2.306 25428 36 1 . 1 1 9 9 LEU HA H 9 3.999 3.999 4.052 -0.053 25428 37 1 . 1 1 9 9 LEU C C 9 179.642 179.642 178.535 1.107 25428 38 1 . 1 1 9 9 LEU CA C 9 54.393 54.393 56.794 -2.401 25428 39 1 . 1 1 9 9 LEU CB C 9 38.343 38.343 41.079 -2.736 25428 40 1 . 1 1 10 10 ASP N N 10 122.019 122.019 118.100 3.919 25428 41 1 . 1 1 10 10 ASP HA H 10 4.229 4.229 4.556 -0.327 25428 42 1 . 1 1 10 10 ASP C C 10 174.743 174.743 177.011 -2.268 25428 43 1 . 1 1 10 10 ASP CA C 10 53.829 53.829 55.235 -1.406 25428 44 1 . 1 1 10 10 ASP CB C 10 36.965 36.965 41.539 -4.574 25428 45 1 . 1 1 11 11 ALA N N 11 121.088 121.088 120.868 0.220 25428 46 1 . 1 1 11 11 ALA HA H 11 4.208 4.208 4.363 -0.155 25428 47 1 . 1 1 11 11 ALA C C 11 174.553 174.553 177.588 -3.035 25428 48 1 . 1 1 11 11 ALA CA C 11 49.682 49.682 52.419 -2.737 25428 49 1 . 1 1 11 11 ALA CB C 11 15.391 15.391 18.659 -3.268 25428 50 1 . 1 1 12 12 GLY N N 12 104.096 104.096 105.302 -1.206 25428 51 1 . 1 1 12 12 GLY C C 12 172.183 172.183 174.263 -2.080 25428 52 1 . 1 1 12 12 GLY CA C 12 42.150 42.150 44.945 -2.796 25428 53 1 . 1 1 13 13 LEU N N 13 120.523 120.523 121.077 -0.554 25428 54 1 . 1 1 13 13 LEU HA H 13 4.365 4.365 4.788 -0.423 25428 55 1 . 1 1 13 13 LEU CA C 13 50.153 50.153 51.868 -1.715 25428 56 1 . 1 1 13 13 LEU CB C 13 38.486 38.486 42.496 -4.010 25428 57 1 . 1 1 14 14 PRO HA H 14 4.351 4.351 4.565 -0.214 25428 58 1 . 1 1 14 14 PRO C C 14 174.611 174.611 177.326 -2.715 25428 59 1 . 1 1 14 14 PRO CA C 14 59.728 59.728 62.385 -2.657 25428 60 1 . 1 1 14 14 PRO CB C 14 29.803 29.803 32.818 -3.015 25428 61 1 . 1 1 15 15 GLN N N 15 124.429 124.429 121.356 3.073 25428 62 1 . 1 1 15 15 GLN HA H 15 3.689 3.689 3.968 -0.279 25428 63 1 . 1 1 15 15 GLN C C 15 174.848 174.848 177.795 -2.947 25428 64 1 . 1 1 15 15 GLN CA C 15 57.850 57.850 60.074 -2.224 25428 65 1 . 1 1 15 15 GLN CB C 15 25.333 25.333 28.679 -3.346 25428 66 1 . 1 1 16 16 LYS N N 16 115.638 115.638 118.435 -2.797 25428 67 1 . 1 1 16 16 LYS HA H 16 4.022 4.022 4.139 -0.117 25428 68 1 . 1 1 16 16 LYS C C 16 176.800 176.800 178.811 -2.011 25428 69 1 . 1 1 16 16 LYS CA C 16 56.624 56.624 59.319 -2.695 25428 70 1 . 1 1 16 16 LYS CB C 16 29.837 29.837 31.683 -1.846 25428 71 1 . 1 1 17 17 VAL N N 17 118.513 118.513 118.714 -0.201 25428 72 1 . 1 1 17 17 VAL HA H 17 3.390 3.390 3.712 -0.322 25428 73 1 . 1 1 17 17 VAL C C 17 173.946 173.946 177.790 -3.844 25428 74 1 . 1 1 17 17 VAL CA C 17 62.811 62.811 65.951 -3.140 25428 75 1 . 1 1 17 17 VAL CB C 17 29.088 29.088 31.540 -2.452 25428 76 1 . 1 1 18 18 ALA N N 18 121.811 121.811 122.387 -0.576 25428 77 1 . 1 1 18 18 ALA HA H 18 3.733 3.733 3.968 -0.235 25428 78 1 . 1 1 18 18 ALA C C 18 176.571 176.571 179.848 -3.277 25428 79 1 . 1 1 18 18 ALA CA C 18 52.519 52.519 55.516 -2.997 25428 80 1 . 1 1 18 18 ALA CB C 18 15.616 15.616 18.010 -2.394 25428 81 1 . 1 1 19 19 GLU N N 19 116.183 116.183 117.374 -1.191 25428 82 1 . 1 1 19 19 GLU HA H 19 3.913 3.913 4.080 -0.167 25428 83 1 . 1 1 19 19 GLU C C 19 176.184 176.184 179.062 -2.878 25428 84 1 . 1 1 19 19 GLU CA C 19 56.832 56.832 59.487 -2.655 25428 85 1 . 1 1 19 19 GLU CB C 19 27.114 27.114 29.614 -2.500 25428 86 1 . 1 1 20 20 LYS N N 20 120.202 120.202 117.565 2.637 25428 87 1 . 1 1 20 20 LYS HA H 20 4.063 4.063 4.259 -0.196 25428 88 1 . 1 1 20 20 LYS C C 20 175.707 175.707 178.420 -2.713 25428 89 1 . 1 1 20 20 LYS CA C 20 54.340 54.340 57.562 -3.222 25428 90 1 . 1 1 20 20 LYS CB C 20 27.152 27.152 32.505 -5.353 25428 91 1 . 1 1 21 21 LEU N N 21 120.188 120.188 120.584 -0.396 25428 92 1 . 1 1 21 21 LEU HA H 21 3.904 3.904 4.144 -0.240 25428 93 1 . 1 1 21 21 LEU C C 21 175.138 175.138 178.530 -3.392 25428 94 1 . 1 1 21 21 LEU CA C 21 54.762 54.762 57.076 -2.314 25428 95 1 . 1 1 21 21 LEU CB C 21 38.389 38.389 42.260 -3.871 25428 96 1 . 1 1 22 22 ASP N N 22 118.729 118.729 120.757 -2.028 25428 97 1 . 1 1 22 22 ASP HA H 22 4.425 4.425 4.606 -0.181 25428 98 1 . 1 1 22 22 ASP C C 22 175.147 175.147 178.409 -3.262 25428 99 1 . 1 1 22 22 ASP CA C 22 55.276 55.276 57.798 -2.522 25428 100 1 . 1 1 22 22 ASP CB C 22 39.303 39.303 40.823 -1.520 25428 101 1 . 1 1 23 23 GLU N N 23 117.201 117.201 119.014 -1.813 25428 102 1 . 1 1 23 23 GLU HA H 23 3.889 3.889 4.079 -0.190 25428 103 1 . 1 1 23 23 GLU C C 23 177.140 177.140 178.772 -1.632 25428 104 1 . 1 1 23 23 GLU CA C 23 56.749 56.749 59.002 -2.253 25428 105 1 . 1 1 23 23 GLU CB C 23 27.041 27.041 29.406 -2.365 25428 106 1 . 1 1 24 24 ILE N N 24 121.465 121.465 118.799 2.666 25428 107 1 . 1 1 24 24 ILE HA H 24 3.607 3.607 3.671 -0.064 25428 108 1 . 1 1 24 24 ILE C C 24 174.918 174.918 177.321 -2.403 25428 109 1 . 1 1 24 24 ILE CA C 24 63.184 63.184 63.920 -0.736 25428 110 1 . 1 1 24 24 ILE CB C 24 34.967 34.967 37.463 -2.496 25428 111 1 . 1 1 25 25 TYR N N 25 120.955 120.955 116.623 4.332 25428 112 1 . 1 1 25 25 TYR HA H 25 4.812 4.812 4.940 -0.128 25428 113 1 . 1 1 25 25 TYR C C 25 179.018 179.018 177.773 1.245 25428 114 1 . 1 1 25 25 TYR CA C 25 56.172 56.172 58.371 -2.199 25428 115 1 . 1 1 25 25 TYR CB C 25 34.419 34.419 38.097 -3.678 25428 116 1 . 1 1 26 26 VAL N N 26 123.429 123.429 119.006 4.423 25428 117 1 . 1 1 26 26 VAL HA H 26 3.591 3.591 3.889 -0.298 25428 118 1 . 1 1 26 26 VAL C C 26 175.383 175.383 176.990 -1.607 25428 119 1 . 1 1 26 26 VAL CA C 26 63.501 63.501 64.355 -0.854 25428 120 1 . 1 1 26 26 VAL CB C 26 28.993 28.993 31.999 -3.006 25428 121 1 . 1 1 27 27 ALA N N 27 120.082 120.082 120.695 -0.613 25428 122 1 . 1 1 27 27 ALA HA H 27 4.205 4.205 4.359 -0.154 25428 123 1 . 1 1 27 27 ALA C C 27 175.640 175.640 177.887 -2.247 25428 124 1 . 1 1 27 27 ALA CA C 27 50.270 50.270 52.029 -1.759 25428 125 1 . 1 1 27 27 ALA CB C 27 15.992 15.992 18.790 -2.798 25428 126 1 . 1 1 28 28 GLY N N 28 105.543 105.543 106.849 -1.306 25428 127 1 . 1 1 28 28 GLY C C 28 172.315 172.315 175.079 -2.764 25428 128 1 . 1 1 28 28 GLY CA C 28 42.539 42.539 45.790 -3.251 25428 129 1 . 1 1 29 29 LEU N N 29 119.155 119.155 119.827 -0.672 25428 130 1 . 1 1 29 29 LEU HA H 29 4.005 4.005 4.198 -0.193 25428 131 1 . 1 1 29 29 LEU C C 29 173.807 173.807 176.763 -2.956 25428 132 1 . 1 1 29 29 LEU CA C 29 54.080 54.080 56.618 -2.538 25428 133 1 . 1 1 29 29 LEU CB C 29 39.786 39.786 42.463 -2.677 25428 134 1 . 1 1 30 30 VAL N N 30 109.334 109.334 110.065 -0.731 25428 135 1 . 1 1 30 30 VAL HA H 30 4.216 4.216 4.581 -0.365 25428 136 1 . 1 1 30 30 VAL C C 30 170.244 170.244 174.750 -4.506 25428 137 1 . 1 1 30 30 VAL CA C 30 56.444 56.444 59.621 -3.178 25428 138 1 . 1 1 30 30 VAL CB C 30 32.365 32.365 34.407 -2.042 25428 139 1 . 1 1 31 31 ALA N N 31 126.238 126.238 123.094 3.144 25428 140 1 . 1 1 31 31 ALA HA H 31 4.559 4.559 4.758 -0.199 25428 141 1 . 1 1 31 31 ALA C C 31 176.016 176.016 178.311 -2.295 25428 142 1 . 1 1 31 31 ALA CA C 31 47.470 47.470 51.039 -3.569 25428 143 1 . 1 1 31 31 ALA CB C 31 18.040 18.040 20.407 -2.367 25428 144 1 . 1 1 32 32 HIS N N 32 120.680 120.680 118.037 2.643 25428 145 1 . 1 1 32 32 HIS HA H 32 3.990 3.990 3.415 0.575 25428 146 1 . 1 1 32 32 HIS C C 32 174.379 174.379 175.635 -1.256 25428 147 1 . 1 1 32 32 HIS CA C 32 56.668 56.668 57.828 -1.160 25428 148 1 . 1 1 32 32 HIS CB C 32 26.452 26.452 28.910 -2.458 25428 149 1 . 1 1 33 33 SER N N 33 109.997 109.997 113.120 -3.123 25428 150 1 . 1 1 33 33 SER HA H 33 4.125 4.125 4.356 -0.231 25428 151 1 . 1 1 33 33 SER C C 33 172.444 172.444 174.593 -2.149 25428 152 1 . 1 1 33 33 SER CA C 33 56.158 56.158 57.629 -1.471 25428 153 1 . 1 1 33 33 SER CB C 33 60.045 60.045 63.003 -2.958 25428 154 1 . 1 1 34 34 ASP N N 34 119.785 119.785 121.508 -1.723 25428 155 1 . 1 1 34 34 ASP HA H 34 4.520 4.520 4.596 -0.076 25428 156 1 . 1 1 34 34 ASP CA C 34 53.516 53.516 55.303 -1.787 25428 157 1 . 1 1 34 34 ASP CB C 34 39.490 39.490 41.218 -1.728 25428 158 1 . 1 1 35 35 LEU N N 35 118.248 118.248 118.814 -0.566 25428 159 1 . 1 1 35 35 LEU HA H 35 4.453 4.453 4.471 -0.018 25428 160 1 . 1 1 35 35 LEU CA C 35 50.364 50.364 54.305 -3.941 25428 161 1 . 1 1 35 35 LEU CB C 35 38.642 38.642 42.972 -4.330 25428 162 1 . 1 1 36 36 ASP N N 36 122.922 122.922 119.385 3.537 25428 163 1 . 1 1 36 36 ASP HA H 36 4.425 4.425 4.781 -0.356 25428 164 1 . 1 1 36 36 ASP C C 36 173.050 173.050 176.822 -3.772 25428 165 1 . 1 1 36 36 ASP CA C 36 49.746 49.746 52.957 -3.211 25428 166 1 . 1 1 36 36 ASP CB C 36 39.169 39.169 42.689 -3.519 25428 167 1 . 1 1 37 37 GLU N N 37 119.277 119.277 121.156 -1.879 25428 168 1 . 1 1 37 37 GLU HA H 37 3.826 3.826 4.022 -0.196 25428 169 1 . 1 1 37 37 GLU C C 37 175.878 175.878 178.216 -2.338 25428 170 1 . 1 1 37 37 GLU CA C 37 56.924 56.924 59.906 -2.982 25428 171 1 . 1 1 37 37 GLU CB C 37 26.411 26.411 29.756 -3.345 25428 172 1 . 1 1 38 38 ARG N N 38 117.965 117.965 117.580 0.385 25428 173 1 . 1 1 38 38 ARG HA H 38 3.932 3.932 4.084 -0.152 25428 174 1 . 1 1 38 38 ARG C C 38 176.285 176.285 178.475 -2.190 25428 175 1 . 1 1 38 38 ARG CA C 38 55.806 55.806 58.717 -2.911 25428 176 1 . 1 1 38 38 ARG CB C 38 30.966 30.966 29.835 1.131 25428 177 1 . 1 1 39 39 ALA N N 39 123.247 123.247 123.092 0.155 25428 178 1 . 1 1 39 39 ALA HA H 39 3.878 3.878 4.240 -0.362 25428 179 1 . 1 1 39 39 ALA C C 39 175.872 175.872 179.313 -3.441 25428 180 1 . 1 1 39 39 ALA CA C 39 52.242 52.242 54.683 -2.441 25428 181 1 . 1 1 39 39 ALA CB C 39 15.191 15.191 18.831 -3.640 25428 182 1 . 1 1 40 40 ILE N N 40 116.462 116.462 119.301 -2.839 25428 183 1 . 1 1 40 40 ILE HA H 40 3.444 3.444 3.688 -0.244 25428 184 1 . 1 1 40 40 ILE C C 40 175.056 175.056 178.156 -3.100 25428 185 1 . 1 1 40 40 ILE CA C 40 60.848 60.848 63.740 -2.892 25428 186 1 . 1 1 40 40 ILE CB C 40 33.621 33.621 36.622 -3.001 25428 187 1 . 1 1 41 41 GLU N N 41 117.817 117.817 120.307 -2.490 25428 188 1 . 1 1 41 41 GLU HA H 41 3.785 3.785 3.945 -0.160 25428 189 1 . 1 1 41 41 GLU C C 41 176.503 176.503 178.676 -2.173 25428 190 1 . 1 1 41 41 GLU CA C 41 56.411 56.411 59.502 -3.091 25428 191 1 . 1 1 41 41 GLU CB C 41 26.360 26.360 29.550 -3.190 25428 192 1 . 1 1 42 42 ALA N N 42 120.852 120.852 121.467 -0.615 25428 193 1 . 1 1 42 42 ALA HA H 42 4.068 4.068 4.173 -0.105 25428 194 1 . 1 1 42 42 ALA CA C 42 51.977 51.977 54.544 -2.567 25428 195 1 . 1 1 42 42 ALA CB C 42 15.329 15.329 18.524 -3.195 25428 196 1 . 1 1 43 43 LEU N N 43 120.443 120.443 119.164 1.279 25428 197 1 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.131 0.008 25428 198 1 . 1 1 43 43 LEU C C 43 176.351 176.351 179.338 -2.987 25428 199 1 . 1 1 43 43 LEU CA C 43 54.853 54.853 57.696 -2.843 25428 200 1 . 1 1 43 43 LEU CB C 43 39.586 39.586 41.924 -2.338 25428 201 1 . 1 1 44 44 LYS N N 44 116.644 116.644 116.879 -0.235 25428 202 1 . 1 1 44 44 LYS HA H 44 4.025 4.025 4.099 -0.074 25428 203 1 . 1 1 44 44 LYS C C 44 174.406 174.406 178.023 -3.617 25428 204 1 . 1 1 44 44 LYS CA C 44 55.431 55.431 58.470 -3.039 25428 205 1 . 1 1 44 44 LYS CB C 44 29.673 29.673 32.083 -2.410 25428 206 1 . 1 1 45 45 GLU N N 45 115.882 115.882 117.316 -1.434 25428 207 1 . 1 1 45 45 GLU HA H 45 4.014 4.014 4.163 -0.149 25428 208 1 . 1 1 45 45 GLU C C 45 174.383 174.383 176.450 -2.067 25428 209 1 . 1 1 45 45 GLU CA C 45 54.281 54.281 56.706 -2.425 25428 210 1 . 1 1 45 45 GLU CB C 45 26.997 26.997 29.487 -2.490 25428 211 1 . 1 1 46 46 PHE N N 46 118.293 118.293 119.157 -0.864 25428 212 1 . 1 1 46 46 PHE HA H 46 4.348 4.348 4.515 -0.167 25428 213 1 . 1 1 46 46 PHE C C 46 173.933 173.933 175.008 -1.075 25428 214 1 . 1 1 46 46 PHE CA C 46 55.339 55.339 57.518 -2.179 25428 215 1 . 1 1 46 46 PHE CB C 46 38.417 38.417 40.442 -2.025 25428 216 1 . 1 1 47 47 ASN N N 47 117.552 117.552 120.895 -3.343 25428 217 1 . 1 1 47 47 ASN HA H 47 4.607 4.607 4.711 -0.104 25428 218 1 . 1 1 47 47 ASN C C 47 172.500 172.500 176.216 -3.716 25428 219 1 . 1 1 47 47 ASN CA C 47 49.660 49.660 52.758 -3.098 25428 220 1 . 1 1 47 47 ASN CB C 47 35.186 35.186 39.387 -4.201 25428 221 1 . 1 1 48 48 GLU N N 48 121.194 121.194 119.926 1.268 25428 222 1 . 1 1 48 48 GLU HA H 48 3.678 3.678 3.924 -0.246 25428 223 1 . 1 1 48 48 GLU C C 48 174.313 174.313 178.270 -3.957 25428 224 1 . 1 1 48 48 GLU CA C 48 58.386 58.386 60.453 -2.067 25428 225 1 . 1 1 48 48 GLU CB C 48 27.594 27.594 29.610 -2.016 25428 226 1 . 1 1 49 49 ASP N N 49 115.316 115.316 117.455 -2.139 25428 227 1 . 1 1 49 49 ASP HA H 49 4.223 4.223 4.521 -0.298 25428 228 1 . 1 1 49 49 ASP C C 49 176.778 176.778 178.266 -1.488 25428 229 1 . 1 1 49 49 ASP CA C 49 54.688 54.688 56.798 -2.110 25428 230 1 . 1 1 49 49 ASP CB C 49 37.441 37.441 40.417 -2.976 25428 231 1 . 1 1 50 50 GLY N N 50 109.745 109.745 108.220 1.525 25428 232 1 . 1 1 50 50 GLY C C 50 171.469 171.469 175.485 -4.016 25428 233 1 . 1 1 50 50 GLY CA C 50 44.341 44.341 46.706 -2.365 25428 234 1 . 1 1 51 51 ALA N N 51 123.698 123.698 124.749 -1.051 25428 235 1 . 1 1 51 51 ALA HA H 51 3.367 3.367 3.649 -0.282 25428 236 1 . 1 1 51 51 ALA C C 51 177.022 177.022 179.430 -2.408 25428 237 1 . 1 1 51 51 ALA CA C 51 52.163 52.163 54.717 -2.555 25428 238 1 . 1 1 51 51 ALA CB C 51 16.810 16.810 18.349 -1.539 25428 239 1 . 1 1 52 52 LEU N N 52 115.728 115.728 118.821 -3.093 25428 240 1 . 1 1 52 52 LEU HA H 52 3.788 3.788 3.876 -0.088 25428 241 1 . 1 1 52 52 LEU C C 52 176.760 176.760 178.830 -2.070 25428 242 1 . 1 1 52 52 LEU CA C 52 55.261 55.261 57.555 -2.294 25428 243 1 . 1 1 52 52 LEU CB C 52 38.006 38.006 41.119 -3.113 25428 244 1 . 1 1 53 53 ALA N N 53 123.490 123.490 121.874 1.616 25428 245 1 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.909 0.111 25428 246 1 . 1 1 53 53 ALA CA C 53 52.438 52.438 54.904 -2.466 25428 247 1 . 1 1 53 53 ALA CB C 53 15.446 15.446 17.974 -2.528 25428 248 1 . 1 1 54 54 VAL N N 54 119.648 119.648 117.997 1.651 25428 249 1 . 1 1 54 54 VAL HA H 54 3.078 3.078 3.195 -0.117 25428 250 1 . 1 1 54 54 VAL CA C 54 62.949 62.949 66.135 -3.186 25428 251 1 . 1 1 54 54 VAL CB C 54 28.357 28.357 30.822 -2.465 25428 252 1 . 1 1 55 55 LEU N N 55 118.185 118.185 118.782 -0.597 25428 253 1 . 1 1 55 55 LEU HA H 55 3.841 3.841 3.982 -0.141 25428 254 1 . 1 1 55 55 LEU C C 55 175.988 175.988 178.874 -2.886 25428 255 1 . 1 1 55 55 LEU CA C 55 54.655 54.655 57.708 -3.053 25428 256 1 . 1 1 55 55 LEU CB C 55 38.850 38.850 41.352 -2.502 25428 257 1 . 1 1 56 56 GLN N N 56 120.271 120.271 118.949 1.322 25428 258 1 . 1 1 56 56 GLN HA H 56 3.755 3.755 3.881 -0.126 25428 259 1 . 1 1 56 56 GLN C C 56 174.357 174.357 178.274 -3.917 25428 260 1 . 1 1 56 56 GLN CA C 56 55.719 55.719 59.280 -3.561 25428 261 1 . 1 1 56 56 GLN CB C 56 25.217 25.217 28.336 -3.119 25428 262 1 . 1 1 57 57 GLN N N 57 117.610 117.610 118.246 -0.636 25428 263 1 . 1 1 57 57 GLN HA H 57 3.995 3.995 4.206 -0.211 25428 264 1 . 1 1 57 57 GLN C C 57 177.125 177.125 177.820 -0.695 25428 265 1 . 1 1 57 57 GLN CA C 57 56.060 56.060 58.206 -2.146 25428 266 1 . 1 1 57 57 GLN CB C 57 25.148 25.148 29.013 -3.865 25428 267 1 . 1 1 58 58 PHE N N 58 120.365 120.365 120.189 0.176 25428 268 1 . 1 1 58 58 PHE HA H 58 4.200 4.200 4.444 -0.244 25428 269 1 . 1 1 58 58 PHE C C 58 172.960 172.960 177.247 -4.287 25428 270 1 . 1 1 58 58 PHE CA C 58 58.622 58.622 60.347 -1.725 25428 271 1 . 1 1 58 58 PHE CB C 58 37.309 37.309 39.433 -2.124 25428 272 1 . 1 1 59 59 LYS N N 59 117.757 117.757 118.268 -0.511 25428 273 1 . 1 1 59 59 LYS HA H 59 3.627 3.627 3.858 -0.231 25428 274 1 . 1 1 59 59 LYS C C 59 174.015 174.015 178.026 -4.011 25428 275 1 . 1 1 59 59 LYS CA C 59 56.227 56.227 58.350 -2.123 25428 276 1 . 1 1 59 59 LYS CB C 59 29.478 29.478 32.433 -2.955 25428 277 1 . 1 1 60 60 ASP N N 60 116.580 116.580 119.466 -2.886 25428 278 1 . 1 1 60 60 ASP HA H 60 4.630 4.630 4.664 -0.034 25428 279 1 . 1 1 60 60 ASP C C 60 174.154 174.154 175.565 -1.411 25428 280 1 . 1 1 60 60 ASP CA C 60 51.754 51.754 54.514 -2.760 25428 281 1 . 1 1 60 60 ASP CB C 60 38.013 38.013 40.152 -2.139 25428 282 1 . 1 1 61 61 SER N N 61 117.142 117.142 114.578 2.564 25428 283 1 . 1 1 61 61 SER HA H 61 4.383 4.383 4.588 -0.205 25428 284 1 . 1 1 61 61 SER C C 61 169.538 169.538 173.073 -3.535 25428 285 1 . 1 1 61 61 SER CA C 61 56.682 56.682 57.648 -0.966 25428 286 1 . 1 1 61 61 SER CB C 61 61.698 61.698 65.545 -3.847 25428 287 1 . 1 1 62 62 ASP N N 62 120.580 120.580 122.081 -1.501 25428 288 1 . 1 1 62 62 ASP HA H 62 4.550 4.550 4.699 -0.149 25428 289 1 . 1 1 62 62 ASP CA C 62 50.266 50.266 53.460 -3.194 25428 290 1 . 1 1 62 62 ASP CB C 62 36.179 36.179 40.348 -4.169 25428 291 1 . 1 1 63 63 LEU N N 63 126.269 126.269 124.639 1.630 25428 292 1 . 1 1 63 63 LEU HA H 63 3.811 3.811 4.166 -0.355 25428 293 1 . 1 1 63 63 LEU CA C 63 51.921 51.921 54.458 -2.537 25428 294 1 . 1 1 63 63 LEU CB C 63 39.003 39.003 41.374 -2.371 25428 295 1 . 1 1 64 64 SER N N 64 116.388 116.388 116.022 0.366 25428 296 1 . 1 1 64 64 SER HA H 64 3.862 3.862 4.102 -0.240 25428 297 1 . 1 1 64 64 SER C C 64 172.812 172.812 175.090 -2.278 25428 298 1 . 1 1 64 64 SER CA C 64 58.914 58.914 60.279 -1.365 25428 299 1 . 1 1 64 64 SER CB C 64 59.851 59.851 63.008 -3.157 25428 300 1 . 1 1 65 65 HIS N N 65 117.601 117.601 117.947 -0.346 25428 301 1 . 1 1 65 65 HIS HA H 65 4.713 4.713 4.582 0.131 25428 302 1 . 1 1 65 65 HIS C C 65 171.008 171.008 174.337 -3.329 25428 303 1 . 1 1 65 65 HIS CA C 65 52.236 52.236 55.539 -3.303 25428 304 1 . 1 1 65 65 HIS CB C 65 25.765 25.765 29.561 -3.796 25428 305 1 . 1 1 66 66 VAL N N 66 121.466 121.466 121.485 -0.019 25428 306 1 . 1 1 66 66 VAL HA H 66 3.857 3.857 4.176 -0.319 25428 307 1 . 1 1 66 66 VAL C C 66 172.336 172.336 176.309 -3.973 25428 308 1 . 1 1 66 66 VAL CA C 66 59.147 59.147 61.994 -2.847 25428 309 1 . 1 1 66 66 VAL CB C 66 29.577 29.577 32.933 -3.356 25428 310 1 . 1 1 67 67 GLN N N 67 127.282 127.282 126.350 0.932 25428 311 1 . 1 1 67 67 GLN HA H 67 4.149 4.149 4.178 -0.029 25428 312 1 . 1 1 67 67 GLN CA C 67 55.100 55.100 58.012 -2.912 25428 313 1 . 1 1 67 67 GLN CB C 67 26.315 26.315 28.977 -2.662 25428 314 1 . 1 1 68 68 ASN N N 68 117.044 117.044 118.470 -1.426 25428 315 1 . 1 1 68 68 ASN HA H 68 4.935 4.935 4.831 0.104 25428 316 1 . 1 1 68 68 ASN CA C 68 48.730 48.730 52.479 -3.749 25428 317 1 . 1 1 68 68 ASN CB C 68 35.131 35.131 38.419 -3.288 25428 318 1 . 1 1 69 69 LYS N N 69 125.145 125.145 123.650 1.495 25428 319 1 . 1 1 69 69 LYS HA H 69 3.933 3.933 4.119 -0.186 25428 320 1 . 1 1 69 69 LYS CA C 69 57.605 57.605 59.096 -1.491 25428 321 1 . 1 1 69 69 LYS CB C 69 30.295 30.295 32.067 -1.772 25428 322 1 . 1 1 70 70 SER N N 70 116.020 116.020 115.062 0.958 25428 323 1 . 1 1 70 70 SER HA H 70 4.220 4.220 4.179 0.041 25428 324 1 . 1 1 70 70 SER CA C 70 59.898 59.898 61.719 -1.821 25428 325 1 . 1 1 70 70 SER CB C 70 59.848 59.848 62.540 -2.692 25428 326 1 . 1 1 71 71 ALA N N 71 123.444 123.444 124.575 -1.131 25428 327 1 . 1 1 71 71 ALA HA H 71 3.974 3.974 4.155 -0.181 25428 328 1 . 1 1 71 71 ALA CA C 71 51.870 51.870 54.557 -2.687 25428 329 1 . 1 1 71 71 ALA CB C 71 15.067 15.067 18.255 -3.188 25428 330 1 . 1 1 72 72 PHE N N 72 120.178 120.178 119.796 0.382 25428 331 1 . 1 1 72 72 PHE HA H 72 4.142 4.142 4.276 -0.134 25428 332 1 . 1 1 72 72 PHE C C 72 175.653 175.653 176.994 -1.341 25428 333 1 . 1 1 72 72 PHE CA C 72 58.917 58.917 61.382 -2.465 25428 334 1 . 1 1 72 72 PHE CB C 72 37.354 37.354 39.636 -2.282 25428 335 1 . 1 1 73 73 LEU N N 73 121.921 121.921 121.650 0.271 25428 336 1 . 1 1 73 73 LEU HA H 73 3.753 3.753 3.881 -0.128 25428 337 1 . 1 1 73 73 LEU C C 73 175.921 175.921 178.426 -2.505 25428 338 1 . 1 1 73 73 LEU CA C 73 55.684 55.684 58.540 -2.856 25428 339 1 . 1 1 73 73 LEU CB C 73 37.424 37.424 41.287 -3.863 25428 340 1 . 1 1 74 74 CYS N N 74 116.964 116.964 117.037 -0.073 25428 341 1 . 1 1 74 74 CYS HA H 74 4.112 4.112 4.134 -0.022 25428 342 1 . 1 1 74 74 CYS C C 74 174.901 174.901 177.123 -2.222 25428 343 1 . 1 1 74 74 CYS CA C 74 61.104 61.104 62.883 -1.779 25428 344 1 . 1 1 74 74 CYS CB C 74 23.632 23.632 26.537 -2.905 25428 345 1 . 1 1 75 75 GLY N N 75 110.524 110.524 108.567 1.957 25428 346 1 . 1 1 75 75 GLY C C 75 173.633 173.633 175.813 -2.180 25428 347 1 . 1 1 75 75 GLY CA C 75 44.385 44.385 47.129 -2.743 25428 348 1 . 1 1 76 76 VAL N N 76 124.398 124.398 123.460 0.938 25428 349 1 . 1 1 76 76 VAL HA H 76 3.511 3.511 3.609 -0.098 25428 350 1 . 1 1 76 76 VAL CA C 76 63.391 63.391 66.388 -2.997 25428 351 1 . 1 1 76 76 VAL CB C 76 28.499 28.499 31.658 -3.159 25428 352 1 . 1 1 77 77 MET N N 77 118.057 118.057 118.115 -0.058 25428 353 1 . 1 1 77 77 MET HA H 77 3.755 3.755 4.096 -0.341 25428 354 1 . 1 1 77 77 MET CA C 77 57.770 57.770 59.838 -2.068 25428 355 1 . 1 1 77 77 MET CB C 77 31.029 31.029 32.126 -1.097 25428 356 1 . 1 1 78 78 LYS N N 78 118.765 118.765 119.423 -0.658 25428 357 1 . 1 1 78 78 LYS HA H 78 3.967 3.967 4.028 -0.061 25428 358 1 . 1 1 78 78 LYS CA C 78 57.157 57.157 59.859 -2.702 25428 359 1 . 1 1 78 78 LYS CB C 78 29.592 29.592 32.271 -2.679 25428 360 1 . 1 1 79 79 THR N N 79 114.076 114.076 114.778 -0.702 25428 361 1 . 1 1 79 79 THR HA H 79 3.893 3.893 4.122 -0.229 25428 362 1 . 1 1 79 79 THR CA C 79 62.715 62.715 65.942 -3.227 25428 363 1 . 1 1 79 79 THR CB C 79 65.978 65.978 68.599 -2.621 25428 364 1 . 1 1 80 80 TYR N N 80 123.194 123.194 121.066 2.128 25428 365 1 . 1 1 80 80 TYR HA H 80 4.018 4.018 4.281 -0.263 25428 366 1 . 1 1 80 80 TYR CA C 80 58.832 58.832 61.707 -2.875 25428 367 1 . 1 1 80 80 TYR CB C 80 36.159 36.159 38.401 -2.242 25428 368 1 . 1 1 81 81 ARG N N 81 118.541 118.541 117.196 1.345 25428 369 1 . 1 1 81 81 ARG HA H 81 4.056 4.056 4.303 -0.247 25428 370 1 . 1 1 81 81 ARG CA C 81 55.189 55.189 57.585 -2.396 25428 371 1 . 1 1 81 81 ARG CB C 81 27.670 27.670 30.600 -2.930 25428 372 1 . 1 1 82 82 GLN N N 82 117.664 117.664 118.823 -1.159 25428 373 1 . 1 1 82 82 GLN HA H 82 4.111 4.111 4.568 -0.456 25428 374 1 . 1 1 82 82 GLN CA C 82 53.880 53.880 55.264 -1.384 25428 375 1 . 1 1 82 82 GLN CB C 82 25.988 25.988 29.348 -3.360 25428 376 1 . 1 1 83 83 ARG N N 83 119.552 119.552 120.680 -1.128 25428 377 1 . 1 1 83 83 ARG HA H 83 4.115 4.115 4.484 -0.369 25428 378 1 . 1 1 83 83 ARG CA C 83 53.889 53.889 55.929 -2.040 25428 379 1 . 1 1 83 83 ARG CB C 83 27.811 27.811 30.346 -2.535 25428 380 1 . 1 1 84 84 GLU N N 84 121.362 121.362 121.806 -0.444 25428 381 1 . 1 1 84 84 GLU HA H 84 4.133 4.133 4.418 -0.285 25428 382 1 . 1 1 84 84 GLU CA C 84 53.838 53.838 56.289 -2.451 25428 383 1 . 1 1 84 84 GLU CB C 84 27.445 27.445 30.005 -2.560 25428 stop_ save_