data_18679 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18679 _Entry.PDB_ID 2LXJ 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 18679 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.364 0.562 18679 2 1 1 . 1 1 2 2 GLU C C 2 173.979 173.979 175.027 -1.048 18679 3 1 1 . 1 1 2 2 GLU CB C 2 26.849 26.849 28.766 -1.917 18679 4 1 1 . 1 1 3 3 GLN N N 3 116.901 116.901 121.395 -4.494 18679 5 1 1 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.905 0.245 18679 6 1 1 . 1 1 3 3 GLN C C 3 175.962 175.962 175.871 0.091 18679 7 1 1 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.798 -0.674 18679 8 1 1 . 1 1 3 3 GLN CB C 3 31.938 31.938 31.722 0.216 18679 9 1 1 . 1 1 3 3 GLN H H 3 8.202 8.202 7.731 0.471 18679 10 1 1 . 1 1 4 4 GLY N N 4 108.174 108.174 108.683 -0.509 18679 11 1 1 . 1 1 4 4 GLY C C 4 172.109 172.109 172.410 -0.301 18679 12 1 1 . 1 1 4 4 GLY CA C 4 45.614 45.614 45.163 0.451 18679 13 1 1 . 1 1 4 4 GLY H H 4 8.629 8.629 9.229 -0.600 18679 14 1 1 . 1 1 5 5 THR N N 5 114.528 114.528 118.309 -3.781 18679 15 1 1 . 1 1 5 5 THR HA H 5 5.210 5.210 5.035 0.175 18679 16 1 1 . 1 1 5 5 THR C C 5 173.994 173.994 174.603 -0.609 18679 17 1 1 . 1 1 5 5 THR CA C 5 60.077 60.077 61.471 -1.394 18679 18 1 1 . 1 1 5 5 THR CB C 5 71.635 71.635 70.386 1.249 18679 19 1 1 . 1 1 5 5 THR H H 5 8.417 8.417 8.120 0.297 18679 20 1 1 . 1 1 6 6 VAL N N 6 125.816 125.816 128.185 -2.369 18679 21 1 1 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.887 -0.366 18679 22 1 1 . 1 1 6 6 VAL C C 6 175.620 175.620 176.822 -1.202 18679 23 1 1 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.840 1.228 18679 24 1 1 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.469 1.163 18679 25 1 1 . 1 1 6 6 VAL H H 6 8.908 8.908 9.189 -0.281 18679 26 1 1 . 1 1 7 7 LYS N N 7 135.919 135.919 130.621 5.298 18679 27 1 1 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.503 -0.289 18679 28 1 1 . 1 1 7 7 LYS C C 7 175.913 175.913 176.400 -0.487 18679 29 1 1 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.165 -0.411 18679 30 1 1 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.331 1.761 18679 31 1 1 . 1 1 7 7 LYS H H 7 9.260 9.260 9.037 0.223 18679 32 1 1 . 1 1 8 8 TRP N N 8 110.597 110.597 115.217 -4.620 18679 33 1 1 . 1 1 8 8 TRP HA H 8 4.567 4.567 5.052 -0.485 18679 34 1 1 . 1 1 8 8 TRP C C 8 173.327 173.327 173.689 -0.362 18679 35 1 1 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.308 0.563 18679 36 1 1 . 1 1 8 8 TRP CB C 8 30.675 30.675 30.955 -0.280 18679 37 1 1 . 1 1 8 8 TRP H H 8 7.372 7.372 7.776 -0.404 18679 38 1 1 . 1 1 9 9 PHE N N 9 120.373 120.373 121.988 -1.615 18679 39 1 1 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.750 -0.570 18679 40 1 1 . 1 1 9 9 PHE C C 9 172.561 172.561 174.369 -1.808 18679 41 1 1 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.061 3.049 18679 42 1 1 . 1 1 9 9 PHE CB C 9 42.287 42.287 41.989 0.298 18679 43 1 1 . 1 1 9 9 PHE H H 9 9.265 9.265 9.598 -0.333 18679 44 1 1 . 1 1 10 10 ASN N N 10 127.710 127.710 127.255 0.455 18679 45 1 1 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.709 0.224 18679 46 1 1 . 1 1 10 10 ASN C C 10 174.373 174.373 174.945 -0.572 18679 47 1 1 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.364 -0.466 18679 48 1 1 . 1 1 10 10 ASN CB C 10 38.909 38.909 36.920 1.988 18679 49 1 1 . 1 1 10 10 ASN H H 10 8.223 8.223 8.107 0.116 18679 50 1 1 . 1 1 11 11 ALA N N 11 129.186 129.186 125.665 3.521 18679 51 1 1 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.880 0.423 18679 52 1 1 . 1 1 11 11 ALA C C 11 176.087 176.087 178.230 -2.143 18679 53 1 1 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.981 -1.172 18679 54 1 1 . 1 1 11 11 ALA CB C 11 18.701 18.701 19.112 -0.411 18679 55 1 1 . 1 1 11 11 ALA H H 11 9.119 9.119 7.573 1.546 18679 56 1 1 . 1 1 12 12 GLU N N 12 116.366 116.366 116.062 0.304 18679 57 1 1 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.183 -0.160 18679 58 1 1 . 1 1 12 12 GLU C C 12 175.119 175.119 177.330 -2.211 18679 59 1 1 . 1 1 12 12 GLU CA C 12 58.448 58.448 57.774 0.674 18679 60 1 1 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.033 0.123 18679 61 1 1 . 1 1 12 12 GLU H H 12 8.082 8.082 8.455 -0.373 18679 62 1 1 . 1 1 13 13 LYS N N 13 113.821 113.821 117.521 -3.700 18679 63 1 1 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.442 -0.130 18679 64 1 1 . 1 1 13 13 LYS C C 13 177.130 177.130 177.450 -0.320 18679 65 1 1 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.651 1.161 18679 66 1 1 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.940 0.674 18679 67 1 1 . 1 1 13 13 LYS H H 13 7.273 7.273 7.480 -0.207 18679 68 1 1 . 1 1 14 14 GLY N N 14 105.929 105.929 107.622 -1.693 18679 69 1 1 . 1 1 14 14 GLY C C 14 172.485 172.485 172.596 -0.111 18679 70 1 1 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.187 1.567 18679 71 1 1 . 1 1 14 14 GLY H H 14 8.370 8.370 8.150 0.220 18679 72 1 1 . 1 1 15 15 PHE N N 15 112.060 112.060 117.212 -5.152 18679 73 1 1 . 1 1 15 15 PHE HA H 15 4.814 4.814 4.995 -0.181 18679 74 1 1 . 1 1 15 15 PHE C C 15 171.414 171.414 173.702 -2.288 18679 75 1 1 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.632 -1.912 18679 76 1 1 . 1 1 15 15 PHE CB C 15 42.723 42.723 42.538 0.184 18679 77 1 1 . 1 1 15 15 PHE H H 15 6.572 6.572 7.289 -0.717 18679 78 1 1 . 1 1 16 16 GLY N N 16 105.419 105.419 105.511 -0.092 18679 79 1 1 . 1 1 16 16 GLY C C 16 173.812 173.812 171.469 2.343 18679 80 1 1 . 1 1 16 16 GLY CA C 16 44.912 44.912 44.755 0.157 18679 81 1 1 . 1 1 16 16 GLY H H 16 7.851 7.851 7.700 0.151 18679 82 1 1 . 1 1 17 17 PHE N N 17 115.154 115.154 118.751 -3.597 18679 83 1 1 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.393 -0.385 18679 84 1 1 . 1 1 17 17 PHE C C 17 174.568 174.568 174.793 -0.225 18679 85 1 1 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.384 0.340 18679 86 1 1 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.182 3.007 18679 87 1 1 . 1 1 17 17 PHE H H 17 7.800 7.800 8.210 -0.410 18679 88 1 1 . 1 1 18 18 ILE N N 18 122.756 122.756 123.612 -0.856 18679 89 1 1 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.764 -0.703 18679 90 1 1 . 1 1 18 18 ILE C C 18 174.459 174.459 175.452 -0.993 18679 91 1 1 . 1 1 18 18 ILE CA C 18 60.156 60.156 59.971 0.185 18679 92 1 1 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.390 0.989 18679 93 1 1 . 1 1 18 18 ILE H H 18 9.337 9.337 8.983 0.354 18679 94 1 1 . 1 1 19 19 GLU N N 19 126.777 126.777 126.905 -0.128 18679 95 1 1 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.436 0.479 18679 96 1 1 . 1 1 19 19 GLU C C 19 175.169 175.169 175.336 -0.167 18679 97 1 1 . 1 1 19 19 GLU CA C 19 54.980 54.980 56.263 -1.283 18679 98 1 1 . 1 1 19 19 GLU CB C 19 32.204 32.204 30.658 1.546 18679 99 1 1 . 1 1 19 19 GLU H H 19 9.294 9.294 8.936 0.358 18679 100 1 1 . 1 1 20 20 ARG N N 20 123.573 123.573 123.425 0.148 18679 101 1 1 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.599 -0.579 18679 102 1 1 . 1 1 20 20 ARG C C 20 176.345 176.345 178.334 -1.989 18679 103 1 1 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.864 0.542 18679 104 1 1 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.464 1.167 18679 105 1 1 . 1 1 20 20 ARG H H 20 9.290 9.290 8.057 1.233 18679 106 1 1 . 1 1 21 21 GLU N N 21 121.542 121.542 123.065 -1.523 18679 107 1 1 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.124 -0.024 18679 108 1 1 . 1 1 21 21 GLU C C 21 177.265 177.265 175.888 1.377 18679 109 1 1 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.380 -0.585 18679 110 1 1 . 1 1 21 21 GLU CB C 21 29.908 29.908 28.561 1.347 18679 111 1 1 . 1 1 21 21 GLU H H 21 9.066 9.066 9.064 0.002 18679 112 1 1 . 1 1 22 22 ASN N N 22 115.336 115.336 116.787 -1.451 18679 113 1 1 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.793 -0.045 18679 114 1 1 . 1 1 22 22 ASN C C 22 174.806 174.806 175.850 -1.044 18679 115 1 1 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.596 0.533 18679 116 1 1 . 1 1 22 22 ASN CB C 22 39.020 39.020 37.976 1.044 18679 117 1 1 . 1 1 22 22 ASN H H 22 8.257 8.257 7.898 0.359 18679 118 1 1 . 1 1 23 23 GLY N N 23 107.564 107.564 108.125 -0.561 18679 119 1 1 . 1 1 23 23 GLY C C 23 172.948 172.948 173.867 -0.919 18679 120 1 1 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.650 -0.954 18679 121 1 1 . 1 1 23 23 GLY H H 23 7.866 7.866 8.168 -0.302 18679 122 1 1 . 1 1 24 24 ASP N N 24 120.038 120.038 121.504 -1.466 18679 123 1 1 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.563 0.065 18679 124 1 1 . 1 1 24 24 ASP C C 24 175.559 175.559 176.115 -0.556 18679 125 1 1 . 1 1 24 24 ASP CA C 24 54.453 54.453 53.606 0.847 18679 126 1 1 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.750 0.794 18679 127 1 1 . 1 1 24 24 ASP H H 24 8.370 8.370 8.039 0.331 18679 128 1 1 . 1 1 25 25 ASP N N 25 120.666 120.666 127.088 -6.422 18679 129 1 1 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.654 0.267 18679 130 1 1 . 1 1 25 25 ASP C C 25 176.258 176.258 176.073 0.185 18679 131 1 1 . 1 1 25 25 ASP CA C 25 54.973 54.973 55.543 -0.570 18679 132 1 1 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.752 1.736 18679 133 1 1 . 1 1 25 25 ASP H H 25 8.698 8.698 8.131 0.567 18679 134 1 1 . 1 1 26 26 VAL N N 26 120.541 120.541 124.239 -3.698 18679 135 1 1 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.068 0.278 18679 136 1 1 . 1 1 26 26 VAL C C 26 174.724 174.724 175.083 -0.359 18679 137 1 1 . 1 1 26 26 VAL CA C 26 60.847 60.847 62.159 -1.312 18679 138 1 1 . 1 1 26 26 VAL CB C 26 34.500 34.500 32.549 1.951 18679 139 1 1 . 1 1 26 26 VAL H H 26 9.365 9.365 8.961 0.404 18679 140 1 1 . 1 1 27 27 PHE N N 27 130.752 130.752 128.852 1.900 18679 141 1 1 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.656 -1.126 18679 142 1 1 . 1 1 27 27 PHE C C 27 172.517 172.517 174.079 -1.562 18679 143 1 1 . 1 1 27 27 PHE CA C 27 58.978 58.978 56.387 2.591 18679 144 1 1 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.362 -0.428 18679 145 1 1 . 1 1 27 27 PHE H H 27 8.335 8.335 8.346 -0.011 18679 146 1 1 . 1 1 28 28 VAL N N 28 124.530 124.530 127.260 -2.730 18679 147 1 1 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.273 0.120 18679 148 1 1 . 1 1 28 28 VAL C C 28 170.556 170.556 173.843 -3.287 18679 149 1 1 . 1 1 28 28 VAL CA C 28 57.706 57.706 58.993 -1.287 18679 150 1 1 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.652 -0.055 18679 151 1 1 . 1 1 28 28 VAL H H 28 7.411 7.411 8.258 -0.847 18679 152 1 1 . 1 1 29 29 HIS N N 29 127.448 127.448 123.631 3.817 18679 153 1 1 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.057 -0.498 18679 154 1 1 . 1 1 29 29 HIS C C 29 177.582 177.582 176.552 1.030 18679 155 1 1 . 1 1 29 29 HIS CA C 29 55.739 55.739 54.152 1.587 18679 156 1 1 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.683 0.859 18679 157 1 1 . 1 1 29 29 HIS H H 29 8.561 8.561 7.619 0.942 18679 158 1 1 . 1 1 30 30 PHE N N 30 122.691 122.691 120.436 2.255 18679 159 1 1 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.187 -0.325 18679 160 1 1 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.888 -0.897 18679 161 1 1 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.633 -2.153 18679 162 1 1 . 1 1 30 30 PHE H H 30 7.970 7.970 7.935 0.035 18679 163 1 1 . 1 1 31 31 SER N N 31 118.356 118.356 113.293 5.063 18679 164 1 1 . 1 1 31 31 SER HA H 31 3.858 3.858 4.381 -0.523 18679 165 1 1 . 1 1 31 31 SER C C 31 175.382 175.382 174.510 0.872 18679 166 1 1 . 1 1 31 31 SER CA C 31 59.761 59.761 57.528 2.233 18679 167 1 1 . 1 1 31 31 SER CB C 31 62.630 62.630 62.312 0.318 18679 168 1 1 . 1 1 31 31 SER H H 31 7.623 7.623 7.551 0.072 18679 169 1 1 . 1 1 32 32 ALA N N 32 124.536 124.536 122.597 1.939 18679 170 1 1 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.577 -0.172 18679 171 1 1 . 1 1 32 32 ALA C C 32 177.706 177.706 176.605 1.101 18679 172 1 1 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.026 0.358 18679 173 1 1 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.753 0.419 18679 174 1 1 . 1 1 32 32 ALA H H 32 7.902 7.902 7.552 0.350 18679 175 1 1 . 1 1 33 33 ILE N N 33 121.051 121.051 120.093 0.958 18679 176 1 1 . 1 1 33 33 ILE HA H 33 3.841 3.841 4.025 -0.184 18679 177 1 1 . 1 1 33 33 ILE C C 33 175.517 175.517 175.060 0.457 18679 178 1 1 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.013 1.239 18679 179 1 1 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.671 -0.687 18679 180 1 1 . 1 1 33 33 ILE H H 33 7.595 7.595 7.626 -0.031 18679 181 1 1 . 1 1 34 34 GLN N N 34 126.803 126.803 125.482 1.321 18679 182 1 1 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.347 -0.092 18679 183 1 1 . 1 1 34 34 GLN C C 34 176.167 176.167 176.853 -0.686 18679 184 1 1 . 1 1 34 34 GLN CA C 34 55.872 55.872 55.190 0.682 18679 185 1 1 . 1 1 34 34 GLN CB C 34 29.510 29.510 27.031 2.479 18679 186 1 1 . 1 1 34 34 GLN H H 34 8.714 8.714 8.896 -0.182 18679 187 1 1 . 1 1 35 35 GLY N N 35 110.928 110.928 113.526 -2.598 18679 188 1 1 . 1 1 35 35 GLY C C 35 172.763 172.763 172.924 -0.161 18679 189 1 1 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.595 0.243 18679 190 1 1 . 1 1 35 35 GLY H H 35 8.411 8.411 8.377 0.034 18679 191 1 1 . 1 1 36 36 ASP N N 36 119.994 119.994 122.217 -2.223 18679 192 1 1 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.636 0.163 18679 193 1 1 . 1 1 36 36 ASP C C 36 176.584 176.584 176.530 0.054 18679 194 1 1 . 1 1 36 36 ASP CA C 36 53.957 53.957 53.725 0.232 18679 195 1 1 . 1 1 36 36 ASP CB C 36 42.297 42.297 41.415 0.882 18679 196 1 1 . 1 1 36 36 ASP H H 36 8.319 8.319 7.802 0.517 18679 197 1 1 . 1 1 37 37 GLY N N 37 108.688 108.688 114.278 -5.590 18679 198 1 1 . 1 1 37 37 GLY C C 37 176.528 176.528 173.711 2.817 18679 199 1 1 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.504 -0.828 18679 200 1 1 . 1 1 37 37 GLY H H 37 8.390 8.390 8.558 -0.168 18679 201 1 1 . 1 1 38 38 PHE N N 38 122.793 122.793 118.429 4.364 18679 202 1 1 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.865 -0.098 18679 203 1 1 . 1 1 38 38 PHE C C 38 175.402 175.402 174.008 1.394 18679 204 1 1 . 1 1 38 38 PHE CA C 38 59.992 59.992 55.440 4.552 18679 205 1 1 . 1 1 38 38 PHE CB C 38 39.043 39.043 40.875 -1.832 18679 206 1 1 . 1 1 38 38 PHE H H 38 8.423 8.423 7.379 1.044 18679 207 1 1 . 1 1 39 39 LYS N N 39 123.349 123.349 123.373 -0.024 18679 208 1 1 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.432 -0.099 18679 209 1 1 . 1 1 39 39 LYS C C 39 169.990 169.990 175.371 -5.381 18679 210 1 1 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.718 -0.240 18679 211 1 1 . 1 1 39 39 LYS CB C 39 32.335 32.335 30.846 1.489 18679 212 1 1 . 1 1 39 39 LYS H H 39 8.592 8.592 8.606 -0.014 18679 213 1 1 . 1 1 40 40 SER N N 40 113.941 113.941 114.249 -0.308 18679 214 1 1 . 1 1 40 40 SER HA H 40 3.673 3.673 3.740 -0.067 18679 215 1 1 . 1 1 40 40 SER CA C 40 57.015 57.015 56.869 0.146 18679 216 1 1 . 1 1 40 40 SER CB C 40 64.589 64.589 66.265 -1.676 18679 217 1 1 . 1 1 40 40 SER H H 40 7.444 7.444 7.421 0.023 18679 218 1 1 . 1 1 41 41 LEU N N 41 117.107 117.107 122.940 -5.833 18679 219 1 1 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.434 -0.040 18679 220 1 1 . 1 1 41 41 LEU C C 41 173.917 173.917 175.473 -1.556 18679 221 1 1 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.898 -1.484 18679 222 1 1 . 1 1 41 41 LEU CB C 41 46.815 46.815 43.621 3.194 18679 223 1 1 . 1 1 41 41 LEU H H 41 5.598 5.598 6.979 -1.381 18679 224 1 1 . 1 1 42 42 ASP N N 42 118.896 118.896 124.289 -5.393 18679 225 1 1 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.515 0.379 18679 226 1 1 . 1 1 42 42 ASP C C 42 175.559 175.559 175.793 -0.234 18679 227 1 1 . 1 1 42 42 ASP CA C 42 52.777 52.777 53.752 -0.975 18679 228 1 1 . 1 1 42 42 ASP CB C 42 42.970 42.970 41.667 1.303 18679 229 1 1 . 1 1 42 42 ASP H H 42 8.156 8.156 8.696 -0.540 18679 230 1 1 . 1 1 43 43 GLU N N 43 121.023 121.023 126.003 -4.980 18679 231 1 1 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.084 -0.566 18679 232 1 1 . 1 1 43 43 GLU C C 43 177.211 177.211 177.016 0.195 18679 233 1 1 . 1 1 43 43 GLU CA C 43 58.444 58.444 57.760 0.684 18679 234 1 1 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.451 0.080 18679 235 1 1 . 1 1 43 43 GLU H H 43 8.689 8.689 8.788 -0.099 18679 236 1 1 . 1 1 44 44 GLY N N 44 113.916 113.916 114.375 -0.459 18679 237 1 1 . 1 1 44 44 GLY C C 44 173.870 173.870 174.320 -0.450 18679 238 1 1 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.783 0.411 18679 239 1 1 . 1 1 44 44 GLY H H 44 8.971 8.971 9.135 -0.164 18679 240 1 1 . 1 1 45 45 GLN N N 45 120.533 120.533 121.202 -0.669 18679 241 1 1 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.439 -0.262 18679 242 1 1 . 1 1 45 45 GLN C C 45 175.454 175.454 174.662 0.792 18679 243 1 1 . 1 1 45 45 GLN CA C 45 56.105 56.105 55.007 1.098 18679 244 1 1 . 1 1 45 45 GLN CB C 45 30.398 30.398 30.417 -0.019 18679 245 1 1 . 1 1 45 45 GLN H H 45 7.634 7.634 7.913 -0.279 18679 246 1 1 . 1 1 46 46 ALA N N 46 130.118 130.118 128.058 2.060 18679 247 1 1 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.258 -0.325 18679 248 1 1 . 1 1 46 46 ALA C C 46 178.148 178.148 176.447 1.701 18679 249 1 1 . 1 1 46 46 ALA CA C 46 52.206 52.206 50.871 1.335 18679 250 1 1 . 1 1 46 46 ALA CB C 46 18.983 18.983 20.393 -1.410 18679 251 1 1 . 1 1 46 46 ALA H H 46 8.894 8.894 8.462 0.432 18679 252 1 1 . 1 1 47 47 VAL N N 47 114.581 114.581 117.631 -3.050 18679 253 1 1 . 1 1 47 47 VAL HA H 47 5.408 5.408 5.123 0.285 18679 254 1 1 . 1 1 47 47 VAL C C 47 175.654 175.654 174.494 1.160 18679 255 1 1 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.457 -0.585 18679 256 1 1 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.127 2.002 18679 257 1 1 . 1 1 47 47 VAL H H 47 8.591 8.591 9.227 -0.636 18679 258 1 1 . 1 1 48 48 THR N N 48 113.346 113.346 111.313 2.033 18679 259 1 1 . 1 1 48 48 THR HA H 48 5.398 5.398 5.431 -0.033 18679 260 1 1 . 1 1 48 48 THR C C 48 177.527 177.527 173.855 3.672 18679 261 1 1 . 1 1 48 48 THR CA C 48 60.253 60.253 59.737 0.515 18679 262 1 1 . 1 1 48 48 THR CB C 48 71.323 71.323 71.991 -0.668 18679 263 1 1 . 1 1 48 48 THR H H 48 8.943 8.943 8.740 0.203 18679 264 1 1 . 1 1 49 49 PHE N N 49 116.531 116.531 115.800 0.731 18679 265 1 1 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.341 -0.338 18679 266 1 1 . 1 1 49 49 PHE C C 49 171.900 171.900 173.565 -1.665 18679 267 1 1 . 1 1 49 49 PHE CA C 49 56.589 56.589 56.340 0.249 18679 268 1 1 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.286 -2.545 18679 269 1 1 . 1 1 49 49 PHE H H 49 8.214 8.214 7.999 0.215 18679 270 1 1 . 1 1 50 50 ASP N N 50 118.134 118.134 122.393 -4.259 18679 271 1 1 . 1 1 50 50 ASP HA H 50 5.167 5.167 4.754 0.413 18679 272 1 1 . 1 1 50 50 ASP C C 50 175.559 175.559 175.562 -0.003 18679 273 1 1 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.959 1.012 18679 274 1 1 . 1 1 50 50 ASP CB C 50 43.986 43.986 41.514 2.471 18679 275 1 1 . 1 1 50 50 ASP H H 50 8.862 8.862 8.621 0.241 18679 276 1 1 . 1 1 51 51 VAL N N 51 120.815 120.815 125.916 -5.101 18679 277 1 1 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.551 0.219 18679 278 1 1 . 1 1 51 51 VAL C C 51 175.378 175.378 175.521 -0.143 18679 279 1 1 . 1 1 51 51 VAL CA C 51 62.046 62.046 62.491 -0.445 18679 280 1 1 . 1 1 51 51 VAL CB C 51 33.854 33.854 33.268 0.586 18679 281 1 1 . 1 1 51 51 VAL H H 51 8.700 8.700 8.132 0.568 18679 282 1 1 . 1 1 52 52 GLU N N 52 127.575 127.575 128.246 -0.671 18679 283 1 1 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.816 -0.036 18679 284 1 1 . 1 1 52 52 GLU C C 52 175.436 175.436 175.216 0.220 18679 285 1 1 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.450 -0.317 18679 286 1 1 . 1 1 52 52 GLU CB C 52 32.295 32.295 33.108 -0.813 18679 287 1 1 . 1 1 52 52 GLU H H 52 9.062 9.062 9.072 -0.011 18679 288 1 1 . 1 1 53 53 GLU N N 53 124.119 124.119 119.245 4.874 18679 289 1 1 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.376 -0.116 18679 290 1 1 . 1 1 53 53 GLU C C 53 176.436 176.436 175.879 0.557 18679 291 1 1 . 1 1 53 53 GLU CA C 53 56.417 56.417 56.230 0.188 18679 292 1 1 . 1 1 53 53 GLU CB C 53 29.392 29.392 30.202 -0.810 18679 293 1 1 . 1 1 53 53 GLU H H 53 8.808 8.808 8.485 0.323 18679 294 1 1 . 1 1 54 54 GLY N N 54 113.794 113.794 109.595 4.199 18679 295 1 1 . 1 1 54 54 GLY C C 54 175.559 175.559 174.526 1.033 18679 296 1 1 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.710 -0.183 18679 297 1 1 . 1 1 54 54 GLY H H 54 7.822 7.822 8.284 -0.462 18679 298 1 1 . 1 1 55 55 GLN N N 55 121.059 121.059 122.740 -1.681 18679 299 1 1 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.205 0.552 18679 300 1 1 . 1 1 55 55 GLN C C 55 177.419 177.419 176.421 0.998 18679 301 1 1 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.837 0.787 18679 302 1 1 . 1 1 55 55 GLN CB C 55 29.233 29.233 29.149 0.083 18679 303 1 1 . 1 1 55 55 GLN H H 55 8.685 8.685 8.460 0.226 18679 304 1 1 . 1 1 56 56 ARG N N 56 116.444 116.444 118.719 -2.275 18679 305 1 1 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.562 -0.136 18679 306 1 1 . 1 1 56 56 ARG C C 56 175.110 175.110 174.598 0.512 18679 307 1 1 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.516 -0.680 18679 308 1 1 . 1 1 56 56 ARG CB C 56 30.092 30.092 30.825 -0.733 18679 309 1 1 . 1 1 56 56 ARG H H 56 8.491 8.491 8.118 0.373 18679 310 1 1 . 1 1 57 57 GLY N N 57 107.667 107.667 109.358 -1.691 18679 311 1 1 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.585 -0.384 18679 312 1 1 . 1 1 57 57 GLY H H 57 7.316 7.316 7.511 -0.195 18679 313 1 1 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.519 0.291 18679 314 1 1 . 1 1 58 58 PRO C C 58 176.345 176.345 175.400 0.945 18679 315 1 1 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.505 0.613 18679 316 1 1 . 1 1 58 58 PRO CB C 58 32.517 32.517 32.333 0.184 18679 317 1 1 . 1 1 59 59 GLN N N 59 121.136 121.136 125.809 -4.673 18679 318 1 1 . 1 1 59 59 GLN HA H 59 5.160 5.160 4.663 0.497 18679 319 1 1 . 1 1 59 59 GLN C C 59 173.910 173.910 175.076 -1.166 18679 320 1 1 . 1 1 59 59 GLN CA C 59 54.284 54.284 54.554 -0.270 18679 321 1 1 . 1 1 59 59 GLN CB C 59 32.688 32.688 29.819 2.869 18679 322 1 1 . 1 1 59 59 GLN H H 59 9.086 9.086 8.355 0.731 18679 323 1 1 . 1 1 60 60 ALA N N 60 123.241 123.241 130.747 -7.506 18679 324 1 1 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.482 0.396 18679 325 1 1 . 1 1 60 60 ALA C C 60 176.210 176.210 175.149 1.061 18679 326 1 1 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.200 0.016 18679 327 1 1 . 1 1 60 60 ALA CB C 60 20.271 20.271 18.463 1.808 18679 328 1 1 . 1 1 60 60 ALA H H 60 8.796 8.796 8.386 0.410 18679 329 1 1 . 1 1 61 61 ALA N N 61 123.741 123.741 126.648 -2.907 18679 330 1 1 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.618 0.052 18679 331 1 1 . 1 1 61 61 ALA C C 61 175.840 175.840 175.920 -0.080 18679 332 1 1 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.124 0.744 18679 333 1 1 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.207 0.856 18679 334 1 1 . 1 1 61 61 ALA H H 61 9.165 9.165 7.856 1.309 18679 335 1 1 . 1 1 62 62 ASN N N 62 118.727 118.727 115.667 3.060 18679 336 1 1 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.355 -0.105 18679 337 1 1 . 1 1 62 62 ASN C C 62 178.093 178.093 174.580 3.513 18679 338 1 1 . 1 1 62 62 ASN CA C 62 53.967 53.967 53.983 -0.016 18679 339 1 1 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.186 1.043 18679 340 1 1 . 1 1 62 62 ASN H H 62 9.288 9.288 8.784 0.504 18679 341 1 1 . 1 1 63 63 VAL N N 63 116.869 116.869 120.709 -3.840 18679 342 1 1 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.180 0.203 18679 343 1 1 . 1 1 63 63 VAL C C 63 175.378 175.378 175.864 -0.486 18679 344 1 1 . 1 1 63 63 VAL CA C 63 63.116 63.116 63.081 0.035 18679 345 1 1 . 1 1 63 63 VAL CB C 63 31.509 31.509 30.989 0.520 18679 346 1 1 . 1 1 63 63 VAL H H 63 8.129 8.129 8.082 0.047 18679 347 1 1 . 1 1 64 64 GLN N N 64 127.534 127.534 127.477 0.057 18679 348 1 1 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.622 0.155 18679 349 1 1 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.182 0.951 18679 350 1 1 . 1 1 64 64 GLN CB C 64 32.174 32.174 30.529 1.645 18679 351 1 1 . 1 1 64 64 GLN H H 64 9.104 9.104 8.875 0.229 18679 352 1 1 . 1 1 65 65 LYS N N 65 122.593 122.593 124.438 -1.845 18679 353 1 1 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.222 0.073 18679 354 1 1 . 1 1 65 65 LYS C C 65 175.520 175.520 175.795 -0.275 18679 355 1 1 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.661 1.099 18679 356 1 1 . 1 1 65 65 LYS CB C 65 32.714 32.714 32.760 -0.046 18679 357 1 1 . 1 1 65 65 LYS H H 65 8.637 8.637 8.587 0.050 18679 358 1 2 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.564 0.362 18679 359 1 2 . 1 1 2 2 GLU C C 2 173.979 173.979 174.479 -0.500 18679 360 1 2 . 1 1 2 2 GLU CB C 2 26.849 26.849 31.878 -5.029 18679 361 1 2 . 1 1 3 3 GLN N N 3 116.901 116.901 121.929 -5.028 18679 362 1 2 . 1 1 3 3 GLN HA H 3 5.150 5.150 5.048 0.102 18679 363 1 2 . 1 1 3 3 GLN C C 3 175.962 175.962 175.424 0.538 18679 364 1 2 . 1 1 3 3 GLN CA C 3 54.124 54.124 55.022 -0.898 18679 365 1 2 . 1 1 3 3 GLN CB C 3 31.938 31.938 30.624 1.314 18679 366 1 2 . 1 1 3 3 GLN H H 3 8.202 8.202 8.533 -0.331 18679 367 1 2 . 1 1 4 4 GLY N N 4 108.174 108.174 112.743 -4.569 18679 368 1 2 . 1 1 4 4 GLY C C 4 172.109 172.109 172.748 -0.639 18679 369 1 2 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.726 0.888 18679 370 1 2 . 1 1 4 4 GLY H H 4 8.629 8.629 9.131 -0.502 18679 371 1 2 . 1 1 5 5 THR N N 5 114.528 114.528 118.522 -3.994 18679 372 1 2 . 1 1 5 5 THR HA H 5 5.210 5.210 4.742 0.468 18679 373 1 2 . 1 1 5 5 THR C C 5 173.994 173.994 175.020 -1.026 18679 374 1 2 . 1 1 5 5 THR CA C 5 60.077 60.077 61.639 -1.562 18679 375 1 2 . 1 1 5 5 THR CB C 5 71.635 71.635 69.295 2.340 18679 376 1 2 . 1 1 5 5 THR H H 5 8.417 8.417 8.117 0.300 18679 377 1 2 . 1 1 6 6 VAL N N 6 125.816 125.816 128.556 -2.740 18679 378 1 2 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.876 -0.355 18679 379 1 2 . 1 1 6 6 VAL C C 6 175.620 175.620 176.270 -0.650 18679 380 1 2 . 1 1 6 6 VAL CA C 6 65.068 65.068 62.624 2.443 18679 381 1 2 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.085 1.547 18679 382 1 2 . 1 1 6 6 VAL H H 6 8.908 8.908 8.723 0.185 18679 383 1 2 . 1 1 7 7 LYS N N 7 135.919 135.919 128.446 7.473 18679 384 1 2 . 1 1 7 7 LYS HA H 7 4.214 4.214 3.989 0.225 18679 385 1 2 . 1 1 7 7 LYS C C 7 175.913 175.913 176.573 -0.660 18679 386 1 2 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.424 0.330 18679 387 1 2 . 1 1 7 7 LYS CB C 7 35.092 35.092 32.956 2.136 18679 388 1 2 . 1 1 7 7 LYS H H 7 9.260 9.260 8.347 0.913 18679 389 1 2 . 1 1 8 8 TRP N N 8 110.597 110.597 119.094 -8.497 18679 390 1 2 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.774 -0.207 18679 391 1 2 . 1 1 8 8 TRP C C 8 173.327 173.327 174.167 -0.840 18679 392 1 2 . 1 1 8 8 TRP CA C 8 55.871 55.871 56.718 -0.847 18679 393 1 2 . 1 1 8 8 TRP CB C 8 30.675 30.675 32.336 -1.661 18679 394 1 2 . 1 1 8 8 TRP H H 8 7.372 7.372 8.091 -0.719 18679 395 1 2 . 1 1 9 9 PHE N N 9 120.373 120.373 123.767 -3.394 18679 396 1 2 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.713 -0.533 18679 397 1 2 . 1 1 9 9 PHE C C 9 172.561 172.561 173.606 -1.045 18679 398 1 2 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.793 2.317 18679 399 1 2 . 1 1 9 9 PHE CB C 9 42.287 42.287 41.537 0.750 18679 400 1 2 . 1 1 9 9 PHE H H 9 9.265 9.265 8.849 0.416 18679 401 1 2 . 1 1 10 10 ASN N N 10 127.710 127.710 127.004 0.706 18679 402 1 2 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.512 0.421 18679 403 1 2 . 1 1 10 10 ASN C C 10 174.373 174.373 174.828 -0.455 18679 404 1 2 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.343 -0.445 18679 405 1 2 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.988 0.921 18679 406 1 2 . 1 1 10 10 ASN H H 10 8.223 8.223 8.215 0.008 18679 407 1 2 . 1 1 11 11 ALA N N 11 129.186 129.186 127.831 1.355 18679 408 1 2 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.623 0.680 18679 409 1 2 . 1 1 11 11 ALA C C 11 176.087 176.087 178.265 -2.178 18679 410 1 2 . 1 1 11 11 ALA CA C 11 53.809 53.809 53.837 -0.028 18679 411 1 2 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.749 -0.048 18679 412 1 2 . 1 1 11 11 ALA H H 11 9.119 9.119 7.657 1.462 18679 413 1 2 . 1 1 12 12 GLU N N 12 116.366 116.366 117.571 -1.205 18679 414 1 2 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.001 0.022 18679 415 1 2 . 1 1 12 12 GLU C C 12 175.119 175.119 177.610 -2.491 18679 416 1 2 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.538 -0.090 18679 417 1 2 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.360 -0.204 18679 418 1 2 . 1 1 12 12 GLU H H 12 8.082 8.082 8.166 -0.084 18679 419 1 2 . 1 1 13 13 LYS N N 13 113.821 113.821 116.063 -2.242 18679 420 1 2 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.335 -0.023 18679 421 1 2 . 1 1 13 13 LYS C C 13 177.130 177.130 177.375 -0.245 18679 422 1 2 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.805 1.007 18679 423 1 2 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.462 1.151 18679 424 1 2 . 1 1 13 13 LYS H H 13 7.273 7.273 7.683 -0.410 18679 425 1 2 . 1 1 14 14 GLY N N 14 105.929 105.929 107.947 -2.018 18679 426 1 2 . 1 1 14 14 GLY C C 14 172.485 172.485 173.001 -0.516 18679 427 1 2 . 1 1 14 14 GLY CA C 14 46.754 46.754 44.980 1.774 18679 428 1 2 . 1 1 14 14 GLY H H 14 8.370 8.370 8.224 0.146 18679 429 1 2 . 1 1 15 15 PHE N N 15 112.060 112.060 116.004 -3.944 18679 430 1 2 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.650 -0.836 18679 431 1 2 . 1 1 15 15 PHE C C 15 171.414 171.414 172.877 -1.463 18679 432 1 2 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.053 -1.333 18679 433 1 2 . 1 1 15 15 PHE CB C 15 42.723 42.723 41.390 1.333 18679 434 1 2 . 1 1 15 15 PHE H H 15 6.572 6.572 7.206 -0.634 18679 435 1 2 . 1 1 16 16 GLY N N 16 105.419 105.419 106.450 -1.031 18679 436 1 2 . 1 1 16 16 GLY C C 16 173.812 173.812 171.622 2.190 18679 437 1 2 . 1 1 16 16 GLY CA C 16 44.912 44.912 45.320 -0.408 18679 438 1 2 . 1 1 16 16 GLY H H 16 7.851 7.851 8.350 -0.499 18679 439 1 2 . 1 1 17 17 PHE N N 17 115.154 115.154 118.437 -3.283 18679 440 1 2 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.631 -0.623 18679 441 1 2 . 1 1 17 17 PHE C C 17 174.568 174.568 174.296 0.272 18679 442 1 2 . 1 1 17 17 PHE CA C 17 56.724 56.724 57.191 -0.467 18679 443 1 2 . 1 1 17 17 PHE CB C 17 45.189 45.189 43.408 1.780 18679 444 1 2 . 1 1 17 17 PHE H H 17 7.800 7.800 9.094 -1.294 18679 445 1 2 . 1 1 18 18 ILE N N 18 122.756 122.756 122.857 -0.101 18679 446 1 2 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.658 -0.597 18679 447 1 2 . 1 1 18 18 ILE C C 18 174.459 174.459 173.619 0.840 18679 448 1 2 . 1 1 18 18 ILE CA C 18 60.156 60.156 58.540 1.616 18679 449 1 2 . 1 1 18 18 ILE CB C 18 41.379 41.379 42.498 -1.119 18679 450 1 2 . 1 1 18 18 ILE H H 18 9.337 9.337 9.200 0.137 18679 451 1 2 . 1 1 19 19 GLU N N 19 126.777 126.777 123.924 2.853 18679 452 1 2 . 1 1 19 19 GLU HA H 19 4.915 4.915 5.199 -0.284 18679 453 1 2 . 1 1 19 19 GLU C C 19 175.169 175.169 174.982 0.187 18679 454 1 2 . 1 1 19 19 GLU CA C 19 54.980 54.980 54.572 0.408 18679 455 1 2 . 1 1 19 19 GLU CB C 19 32.204 32.204 32.218 -0.014 18679 456 1 2 . 1 1 19 19 GLU H H 19 9.294 9.294 8.415 0.879 18679 457 1 2 . 1 1 20 20 ARG N N 20 123.573 123.573 125.057 -1.484 18679 458 1 2 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.794 -0.774 18679 459 1 2 . 1 1 20 20 ARG C C 20 176.345 176.345 177.579 -1.234 18679 460 1 2 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.831 0.575 18679 461 1 2 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.699 0.931 18679 462 1 2 . 1 1 20 20 ARG H H 20 9.290 9.290 8.932 0.358 18679 463 1 2 . 1 1 21 21 GLU N N 21 121.542 121.542 122.526 -0.984 18679 464 1 2 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.020 0.080 18679 465 1 2 . 1 1 21 21 GLU C C 21 177.265 177.265 176.929 0.336 18679 466 1 2 . 1 1 21 21 GLU CA C 21 58.795 58.795 58.887 -0.092 18679 467 1 2 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.748 0.160 18679 468 1 2 . 1 1 21 21 GLU H H 21 9.066 9.066 9.012 0.054 18679 469 1 2 . 1 1 22 22 ASN N N 22 115.336 115.336 118.934 -3.598 18679 470 1 2 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.806 -0.058 18679 471 1 2 . 1 1 22 22 ASN C C 22 174.806 174.806 173.882 0.924 18679 472 1 2 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.929 0.200 18679 473 1 2 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.858 0.162 18679 474 1 2 . 1 1 22 22 ASN H H 22 8.257 8.257 7.955 0.302 18679 475 1 2 . 1 1 23 23 GLY N N 23 107.564 107.564 109.968 -2.404 18679 476 1 2 . 1 1 23 23 GLY C C 23 172.948 172.948 173.086 -0.138 18679 477 1 2 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.642 -0.946 18679 478 1 2 . 1 1 23 23 GLY H H 23 7.866 7.866 7.837 0.029 18679 479 1 2 . 1 1 24 24 ASP N N 24 120.038 120.038 122.027 -1.989 18679 480 1 2 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.614 0.014 18679 481 1 2 . 1 1 24 24 ASP C C 24 175.559 175.559 175.592 -0.033 18679 482 1 2 . 1 1 24 24 ASP CA C 24 54.453 54.453 55.056 -0.603 18679 483 1 2 . 1 1 24 24 ASP CB C 24 41.544 41.544 41.333 0.211 18679 484 1 2 . 1 1 24 24 ASP H H 24 8.370 8.370 8.635 -0.265 18679 485 1 2 . 1 1 25 25 ASP N N 25 120.666 120.666 119.681 0.985 18679 486 1 2 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.877 0.044 18679 487 1 2 . 1 1 25 25 ASP C C 25 176.258 176.258 175.028 1.230 18679 488 1 2 . 1 1 25 25 ASP CA C 25 54.973 54.973 53.566 1.407 18679 489 1 2 . 1 1 25 25 ASP CB C 25 42.488 42.488 41.678 0.810 18679 490 1 2 . 1 1 25 25 ASP H H 25 8.698 8.698 7.789 0.909 18679 491 1 2 . 1 1 26 26 VAL N N 26 120.541 120.541 122.695 -2.154 18679 492 1 2 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.680 -0.334 18679 493 1 2 . 1 1 26 26 VAL C C 26 174.724 174.724 174.374 0.350 18679 494 1 2 . 1 1 26 26 VAL CA C 26 60.847 60.847 60.963 -0.116 18679 495 1 2 . 1 1 26 26 VAL CB C 26 34.500 34.500 34.615 -0.115 18679 496 1 2 . 1 1 26 26 VAL H H 26 9.365 9.365 8.537 0.828 18679 497 1 2 . 1 1 27 27 PHE N N 27 130.752 130.752 129.815 0.937 18679 498 1 2 . 1 1 27 27 PHE HA H 27 3.530 3.530 5.025 -1.495 18679 499 1 2 . 1 1 27 27 PHE C C 27 172.517 172.517 173.910 -1.393 18679 500 1 2 . 1 1 27 27 PHE CA C 27 58.978 58.978 56.985 1.993 18679 501 1 2 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.131 -0.197 18679 502 1 2 . 1 1 27 27 PHE H H 27 8.335 8.335 9.394 -1.059 18679 503 1 2 . 1 1 28 28 VAL N N 28 124.530 124.530 127.578 -3.048 18679 504 1 2 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.228 0.165 18679 505 1 2 . 1 1 28 28 VAL C C 28 170.556 170.556 173.632 -3.076 18679 506 1 2 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.960 -2.254 18679 507 1 2 . 1 1 28 28 VAL CB C 28 34.597 34.597 33.918 0.679 18679 508 1 2 . 1 1 28 28 VAL H H 28 7.411 7.411 7.950 -0.539 18679 509 1 2 . 1 1 29 29 HIS N N 29 127.448 127.448 122.922 4.526 18679 510 1 2 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.437 -0.878 18679 511 1 2 . 1 1 29 29 HIS C C 29 177.582 177.582 176.526 1.056 18679 512 1 2 . 1 1 29 29 HIS CA C 29 55.739 55.739 53.620 2.119 18679 513 1 2 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.593 0.949 18679 514 1 2 . 1 1 29 29 HIS H H 29 8.561 8.561 7.888 0.673 18679 515 1 2 . 1 1 30 30 PHE N N 30 122.691 122.691 121.244 1.447 18679 516 1 2 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.574 -0.712 18679 517 1 2 . 1 1 30 30 PHE CA C 30 59.990 59.990 59.997 -0.007 18679 518 1 2 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.924 -2.444 18679 519 1 2 . 1 1 30 30 PHE H H 30 7.970 7.970 9.324 -1.354 18679 520 1 2 . 1 1 31 31 SER N N 31 118.356 118.356 113.857 4.499 18679 521 1 2 . 1 1 31 31 SER HA H 31 3.858 3.858 3.943 -0.085 18679 522 1 2 . 1 1 31 31 SER C C 31 175.382 175.382 174.795 0.587 18679 523 1 2 . 1 1 31 31 SER CA C 31 59.761 59.761 59.185 0.576 18679 524 1 2 . 1 1 31 31 SER CB C 31 62.630 62.630 62.456 0.174 18679 525 1 2 . 1 1 31 31 SER H H 31 7.623 7.623 7.795 -0.172 18679 526 1 2 . 1 1 32 32 ALA N N 32 124.536 124.536 123.037 1.499 18679 527 1 2 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.366 0.039 18679 528 1 2 . 1 1 32 32 ALA C C 32 177.706 177.706 176.402 1.304 18679 529 1 2 . 1 1 32 32 ALA CA C 32 52.384 52.384 51.634 0.750 18679 530 1 2 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.393 0.780 18679 531 1 2 . 1 1 32 32 ALA H H 32 7.902 7.902 7.540 0.362 18679 532 1 2 . 1 1 33 33 ILE N N 33 121.051 121.051 120.207 0.844 18679 533 1 2 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.827 0.014 18679 534 1 2 . 1 1 33 33 ILE C C 33 175.517 175.517 174.587 0.930 18679 535 1 2 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.957 0.295 18679 536 1 2 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.341 -0.357 18679 537 1 2 . 1 1 33 33 ILE H H 33 7.595 7.595 7.532 0.063 18679 538 1 2 . 1 1 34 34 GLN N N 34 126.803 126.803 125.232 1.571 18679 539 1 2 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.627 -0.372 18679 540 1 2 . 1 1 34 34 GLN C C 34 176.167 176.167 174.680 1.487 18679 541 1 2 . 1 1 34 34 GLN CA C 34 55.872 55.872 54.784 1.088 18679 542 1 2 . 1 1 34 34 GLN CB C 34 29.510 29.510 30.893 -1.383 18679 543 1 2 . 1 1 34 34 GLN H H 34 8.714 8.714 8.223 0.491 18679 544 1 2 . 1 1 35 35 GLY N N 35 110.928 110.928 110.041 0.887 18679 545 1 2 . 1 1 35 35 GLY C C 35 172.763 172.763 172.822 -0.059 18679 546 1 2 . 1 1 35 35 GLY CA C 35 44.838 44.838 45.075 -0.237 18679 547 1 2 . 1 1 35 35 GLY H H 35 8.411 8.411 8.171 0.240 18679 548 1 2 . 1 1 36 36 ASP N N 36 119.994 119.994 120.130 -0.136 18679 549 1 2 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.781 0.018 18679 550 1 2 . 1 1 36 36 ASP C C 36 176.584 176.584 177.511 -0.927 18679 551 1 2 . 1 1 36 36 ASP CA C 36 53.957 53.957 52.941 1.016 18679 552 1 2 . 1 1 36 36 ASP CB C 36 42.297 42.297 40.872 1.425 18679 553 1 2 . 1 1 36 36 ASP H H 36 8.319 8.319 8.539 -0.220 18679 554 1 2 . 1 1 37 37 GLY N N 37 108.688 108.688 115.542 -6.854 18679 555 1 2 . 1 1 37 37 GLY C C 37 176.528 176.528 173.757 2.771 18679 556 1 2 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.035 -0.359 18679 557 1 2 . 1 1 37 37 GLY H H 37 8.390 8.390 8.455 -0.065 18679 558 1 2 . 1 1 38 38 PHE N N 38 122.793 122.793 122.221 0.572 18679 559 1 2 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.776 -0.009 18679 560 1 2 . 1 1 38 38 PHE C C 38 175.402 175.402 175.516 -0.114 18679 561 1 2 . 1 1 38 38 PHE CA C 38 59.992 59.992 56.331 3.661 18679 562 1 2 . 1 1 38 38 PHE CB C 38 39.043 39.043 41.106 -2.063 18679 563 1 2 . 1 1 38 38 PHE H H 38 8.423 8.423 7.495 0.928 18679 564 1 2 . 1 1 39 39 LYS N N 39 123.349 123.349 121.913 1.436 18679 565 1 2 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.592 -0.259 18679 566 1 2 . 1 1 39 39 LYS C C 39 169.990 169.990 175.419 -5.429 18679 567 1 2 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.559 -0.080 18679 568 1 2 . 1 1 39 39 LYS CB C 39 32.335 32.335 32.566 -0.231 18679 569 1 2 . 1 1 39 39 LYS H H 39 8.592 8.592 8.805 -0.213 18679 570 1 2 . 1 1 40 40 SER N N 40 113.941 113.941 116.692 -2.751 18679 571 1 2 . 1 1 40 40 SER HA H 40 3.673 3.673 4.636 -0.963 18679 572 1 2 . 1 1 40 40 SER CA C 40 57.015 57.015 58.169 -1.154 18679 573 1 2 . 1 1 40 40 SER CB C 40 64.589 64.589 63.494 1.095 18679 574 1 2 . 1 1 40 40 SER H H 40 7.444 7.444 7.839 -0.395 18679 575 1 2 . 1 1 41 41 LEU N N 41 117.107 117.107 125.588 -8.481 18679 576 1 2 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.360 0.034 18679 577 1 2 . 1 1 41 41 LEU C C 41 173.917 173.917 176.492 -2.575 18679 578 1 2 . 1 1 41 41 LEU CA C 41 52.414 52.414 54.133 -1.719 18679 579 1 2 . 1 1 41 41 LEU CB C 41 46.815 46.815 44.581 2.234 18679 580 1 2 . 1 1 41 41 LEU H H 41 5.598 5.598 7.920 -2.322 18679 581 1 2 . 1 1 42 42 ASP N N 42 118.896 118.896 123.212 -4.316 18679 582 1 2 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.624 0.270 18679 583 1 2 . 1 1 42 42 ASP C C 42 175.559 175.559 175.477 0.082 18679 584 1 2 . 1 1 42 42 ASP CA C 42 52.777 52.777 54.100 -1.323 18679 585 1 2 . 1 1 42 42 ASP CB C 42 42.970 42.970 41.390 1.580 18679 586 1 2 . 1 1 42 42 ASP H H 42 8.156 8.156 8.412 -0.256 18679 587 1 2 . 1 1 43 43 GLU N N 43 121.023 121.023 123.945 -2.922 18679 588 1 2 . 1 1 43 43 GLU HA H 43 3.518 3.518 3.864 -0.346 18679 589 1 2 . 1 1 43 43 GLU C C 43 177.211 177.211 177.533 -0.322 18679 590 1 2 . 1 1 43 43 GLU CA C 43 58.444 58.444 56.814 1.630 18679 591 1 2 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.163 0.368 18679 592 1 2 . 1 1 43 43 GLU H H 43 8.689 8.689 8.629 0.060 18679 593 1 2 . 1 1 44 44 GLY N N 44 113.916 113.916 112.496 1.420 18679 594 1 2 . 1 1 44 44 GLY C C 44 173.870 173.870 174.041 -0.171 18679 595 1 2 . 1 1 44 44 GLY CA C 44 45.194 45.194 45.050 0.144 18679 596 1 2 . 1 1 44 44 GLY H H 44 8.971 8.971 9.072 -0.101 18679 597 1 2 . 1 1 45 45 GLN N N 45 120.533 120.533 121.138 -0.605 18679 598 1 2 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.305 -0.128 18679 599 1 2 . 1 1 45 45 GLN C C 45 175.454 175.454 174.711 0.743 18679 600 1 2 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.404 1.701 18679 601 1 2 . 1 1 45 45 GLN CB C 45 30.398 30.398 29.622 0.776 18679 602 1 2 . 1 1 45 45 GLN H H 45 7.634 7.634 7.540 0.094 18679 603 1 2 . 1 1 46 46 ALA N N 46 130.118 130.118 131.490 -1.372 18679 604 1 2 . 1 1 46 46 ALA HA H 46 4.933 4.933 4.577 0.356 18679 605 1 2 . 1 1 46 46 ALA C C 46 178.148 178.148 176.764 1.384 18679 606 1 2 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.178 1.028 18679 607 1 2 . 1 1 46 46 ALA CB C 46 18.983 18.983 17.988 0.995 18679 608 1 2 . 1 1 46 46 ALA H H 46 8.894 8.894 8.643 0.251 18679 609 1 2 . 1 1 47 47 VAL N N 47 114.581 114.581 119.354 -4.773 18679 610 1 2 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.652 0.756 18679 611 1 2 . 1 1 47 47 VAL C C 47 175.654 175.654 175.285 0.369 18679 612 1 2 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.985 -1.113 18679 613 1 2 . 1 1 47 47 VAL CB C 47 37.129 37.129 33.307 3.822 18679 614 1 2 . 1 1 47 47 VAL H H 47 8.591 8.591 8.118 0.473 18679 615 1 2 . 1 1 48 48 THR N N 48 113.346 113.346 113.923 -0.577 18679 616 1 2 . 1 1 48 48 THR HA H 48 5.398 5.398 5.198 0.200 18679 617 1 2 . 1 1 48 48 THR C C 48 177.527 177.527 174.303 3.224 18679 618 1 2 . 1 1 48 48 THR CA C 48 60.253 60.253 60.221 0.032 18679 619 1 2 . 1 1 48 48 THR CB C 48 71.323 71.323 68.920 2.403 18679 620 1 2 . 1 1 48 48 THR H H 48 8.943 8.943 8.700 0.243 18679 621 1 2 . 1 1 49 49 PHE N N 49 116.531 116.531 122.432 -5.901 18679 622 1 2 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.966 -0.963 18679 623 1 2 . 1 1 49 49 PHE C C 49 171.900 171.900 173.455 -1.555 18679 624 1 2 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.473 2.116 18679 625 1 2 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.547 -2.806 18679 626 1 2 . 1 1 49 49 PHE H H 49 8.214 8.214 8.600 -0.386 18679 627 1 2 . 1 1 50 50 ASP N N 50 118.134 118.134 120.589 -2.455 18679 628 1 2 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.167 -0.000 18679 629 1 2 . 1 1 50 50 ASP C C 50 175.559 175.559 176.206 -0.647 18679 630 1 2 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.699 1.272 18679 631 1 2 . 1 1 50 50 ASP CB C 50 43.986 43.986 43.152 0.834 18679 632 1 2 . 1 1 50 50 ASP H H 50 8.862 8.862 8.818 0.044 18679 633 1 2 . 1 1 51 51 VAL N N 51 120.815 120.815 127.382 -6.567 18679 634 1 2 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.353 0.417 18679 635 1 2 . 1 1 51 51 VAL C C 51 175.378 175.378 176.367 -0.989 18679 636 1 2 . 1 1 51 51 VAL CA C 51 62.046 62.046 63.978 -1.932 18679 637 1 2 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.104 1.750 18679 638 1 2 . 1 1 51 51 VAL H H 51 8.700 8.700 8.212 0.488 18679 639 1 2 . 1 1 52 52 GLU N N 52 127.575 127.575 127.655 -0.080 18679 640 1 2 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.572 0.208 18679 641 1 2 . 1 1 52 52 GLU C C 52 175.436 175.436 175.847 -0.411 18679 642 1 2 . 1 1 52 52 GLU CA C 52 54.133 54.133 55.320 -1.187 18679 643 1 2 . 1 1 52 52 GLU CB C 52 32.295 32.295 31.648 0.647 18679 644 1 2 . 1 1 52 52 GLU H H 52 9.062 9.062 8.940 0.122 18679 645 1 2 . 1 1 53 53 GLU N N 53 124.119 124.119 121.162 2.957 18679 646 1 2 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.466 -0.206 18679 647 1 2 . 1 1 53 53 GLU C C 53 176.436 176.436 175.985 0.451 18679 648 1 2 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.940 0.478 18679 649 1 2 . 1 1 53 53 GLU CB C 53 29.392 29.392 30.923 -1.531 18679 650 1 2 . 1 1 53 53 GLU H H 53 8.808 8.808 8.829 -0.021 18679 651 1 2 . 1 1 54 54 GLY N N 54 113.794 113.794 111.903 1.891 18679 652 1 2 . 1 1 54 54 GLY C C 54 175.559 175.559 173.627 1.932 18679 653 1 2 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.492 0.035 18679 654 1 2 . 1 1 54 54 GLY H H 54 7.822 7.822 8.052 -0.230 18679 655 1 2 . 1 1 55 55 GLN N N 55 121.059 121.059 120.863 0.196 18679 656 1 2 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.453 0.304 18679 657 1 2 . 1 1 55 55 GLN C C 55 177.419 177.419 175.367 2.052 18679 658 1 2 . 1 1 55 55 GLN CA C 55 58.624 58.624 55.956 2.668 18679 659 1 2 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.015 1.218 18679 660 1 2 . 1 1 55 55 GLN H H 55 8.685 8.685 8.670 0.015 18679 661 1 2 . 1 1 56 56 ARG N N 56 116.444 116.444 118.466 -2.022 18679 662 1 2 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.421 0.005 18679 663 1 2 . 1 1 56 56 ARG C C 56 175.110 175.110 175.633 -0.523 18679 664 1 2 . 1 1 56 56 ARG CA C 56 54.836 54.836 56.406 -1.570 18679 665 1 2 . 1 1 56 56 ARG CB C 56 30.092 30.092 30.803 -0.711 18679 666 1 2 . 1 1 56 56 ARG H H 56 8.491 8.491 8.313 0.178 18679 667 1 2 . 1 1 57 57 GLY N N 57 107.667 107.667 109.233 -1.566 18679 668 1 2 . 1 1 57 57 GLY CA C 57 44.201 44.201 45.074 -0.873 18679 669 1 2 . 1 1 57 57 GLY H H 57 7.316 7.316 7.451 -0.135 18679 670 1 2 . 1 1 58 58 PRO HA H 58 4.810 4.810 5.066 -0.256 18679 671 1 2 . 1 1 58 58 PRO C C 58 176.345 176.345 176.189 0.156 18679 672 1 2 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.113 1.005 18679 673 1 2 . 1 1 58 58 PRO CB C 58 32.517 32.517 32.587 -0.070 18679 674 1 2 . 1 1 59 59 GLN N N 59 121.136 121.136 122.756 -1.620 18679 675 1 2 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.279 -0.119 18679 676 1 2 . 1 1 59 59 GLN C C 59 173.910 173.910 175.876 -1.966 18679 677 1 2 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.908 0.376 18679 678 1 2 . 1 1 59 59 GLN CB C 59 32.688 32.688 31.482 1.206 18679 679 1 2 . 1 1 59 59 GLN H H 59 9.086 9.086 8.391 0.695 18679 680 1 2 . 1 1 60 60 ALA N N 60 123.241 123.241 122.071 1.170 18679 681 1 2 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.725 0.153 18679 682 1 2 . 1 1 60 60 ALA C C 60 176.210 176.210 174.992 1.218 18679 683 1 2 . 1 1 60 60 ALA CA C 60 51.216 51.216 50.996 0.220 18679 684 1 2 . 1 1 60 60 ALA CB C 60 20.271 20.271 20.439 -0.168 18679 685 1 2 . 1 1 60 60 ALA H H 60 8.796 8.796 8.509 0.287 18679 686 1 2 . 1 1 61 61 ALA N N 61 123.741 123.741 125.347 -1.606 18679 687 1 2 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.661 0.009 18679 688 1 2 . 1 1 61 61 ALA C C 61 175.840 175.840 175.641 0.199 18679 689 1 2 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.347 0.521 18679 690 1 2 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.504 0.559 18679 691 1 2 . 1 1 61 61 ALA H H 61 9.165 9.165 8.593 0.572 18679 692 1 2 . 1 1 62 62 ASN N N 62 118.727 118.727 116.811 1.916 18679 693 1 2 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.357 -0.107 18679 694 1 2 . 1 1 62 62 ASN C C 62 178.093 178.093 173.742 4.351 18679 695 1 2 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.141 -0.173 18679 696 1 2 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.473 0.756 18679 697 1 2 . 1 1 62 62 ASN H H 62 9.288 9.288 8.461 0.827 18679 698 1 2 . 1 1 63 63 VAL N N 63 116.869 116.869 120.743 -3.874 18679 699 1 2 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.348 0.035 18679 700 1 2 . 1 1 63 63 VAL C C 63 175.378 175.378 175.029 0.349 18679 701 1 2 . 1 1 63 63 VAL CA C 63 63.116 63.116 61.340 1.776 18679 702 1 2 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.943 -0.434 18679 703 1 2 . 1 1 63 63 VAL H H 63 8.129 8.129 8.362 -0.233 18679 704 1 2 . 1 1 64 64 GLN N N 64 127.534 127.534 128.720 -1.186 18679 705 1 2 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.480 0.297 18679 706 1 2 . 1 1 64 64 GLN CA C 64 54.133 54.133 54.729 -0.596 18679 707 1 2 . 1 1 64 64 GLN CB C 64 32.174 32.174 30.742 1.432 18679 708 1 2 . 1 1 64 64 GLN H H 64 9.104 9.104 8.989 0.115 18679 709 1 2 . 1 1 65 65 LYS N N 65 122.593 122.593 126.552 -3.959 18679 710 1 2 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.170 0.125 18679 711 1 2 . 1 1 65 65 LYS C C 65 175.520 175.520 175.449 0.071 18679 712 1 2 . 1 1 65 65 LYS CA C 65 57.760 57.760 57.346 0.414 18679 713 1 2 . 1 1 65 65 LYS CB C 65 32.714 32.714 32.726 -0.012 18679 714 1 2 . 1 1 65 65 LYS H H 65 8.637 8.637 8.630 0.007 18679 715 1 3 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.184 0.742 18679 716 1 3 . 1 1 2 2 GLU C C 2 173.979 173.979 174.320 -0.341 18679 717 1 3 . 1 1 2 2 GLU CB C 2 26.849 26.849 29.613 -2.764 18679 718 1 3 . 1 1 3 3 GLN N N 3 116.901 116.901 121.192 -4.291 18679 719 1 3 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.659 0.491 18679 720 1 3 . 1 1 3 3 GLN C C 3 175.962 175.962 175.652 0.310 18679 721 1 3 . 1 1 3 3 GLN CA C 3 54.124 54.124 55.249 -1.125 18679 722 1 3 . 1 1 3 3 GLN CB C 3 31.938 31.938 29.502 2.436 18679 723 1 3 . 1 1 3 3 GLN H H 3 8.202 8.202 7.975 0.227 18679 724 1 3 . 1 1 4 4 GLY N N 4 108.174 108.174 114.329 -6.155 18679 725 1 3 . 1 1 4 4 GLY C C 4 172.109 172.109 172.568 -0.459 18679 726 1 3 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.228 1.386 18679 727 1 3 . 1 1 4 4 GLY H H 4 8.629 8.629 9.146 -0.517 18679 728 1 3 . 1 1 5 5 THR N N 5 114.528 114.528 115.941 -1.413 18679 729 1 3 . 1 1 5 5 THR HA H 5 5.210 5.210 5.071 0.140 18679 730 1 3 . 1 1 5 5 THR C C 5 173.994 173.994 173.789 0.205 18679 731 1 3 . 1 1 5 5 THR CA C 5 60.077 60.077 61.698 -1.621 18679 732 1 3 . 1 1 5 5 THR CB C 5 71.635 71.635 71.771 -0.136 18679 733 1 3 . 1 1 5 5 THR H H 5 8.417 8.417 8.133 0.284 18679 734 1 3 . 1 1 6 6 VAL N N 6 125.816 125.816 127.704 -1.888 18679 735 1 3 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.907 -0.386 18679 736 1 3 . 1 1 6 6 VAL C C 6 175.620 175.620 175.309 0.311 18679 737 1 3 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.915 1.153 18679 738 1 3 . 1 1 6 6 VAL CB C 6 31.632 31.632 31.167 0.465 18679 739 1 3 . 1 1 6 6 VAL H H 6 8.908 8.908 9.008 -0.099 18679 740 1 3 . 1 1 7 7 LYS N N 7 135.919 135.919 127.770 8.149 18679 741 1 3 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.204 0.010 18679 742 1 3 . 1 1 7 7 LYS C C 7 175.913 175.913 176.414 -0.501 18679 743 1 3 . 1 1 7 7 LYS CA C 7 58.754 58.754 57.215 1.539 18679 744 1 3 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.947 1.145 18679 745 1 3 . 1 1 7 7 LYS H H 7 9.260 9.260 8.493 0.767 18679 746 1 3 . 1 1 8 8 TRP N N 8 110.597 110.597 119.924 -9.327 18679 747 1 3 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.839 -0.272 18679 748 1 3 . 1 1 8 8 TRP C C 8 173.327 173.327 175.063 -1.736 18679 749 1 3 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.885 -0.014 18679 750 1 3 . 1 1 8 8 TRP CB C 8 30.675 30.675 31.297 -0.622 18679 751 1 3 . 1 1 8 8 TRP H H 8 7.372 7.372 7.686 -0.314 18679 752 1 3 . 1 1 9 9 PHE N N 9 120.373 120.373 124.836 -4.463 18679 753 1 3 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.877 -0.697 18679 754 1 3 . 1 1 9 9 PHE C C 9 172.561 172.561 174.143 -1.582 18679 755 1 3 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.561 2.549 18679 756 1 3 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.362 1.925 18679 757 1 3 . 1 1 9 9 PHE H H 9 9.265 9.265 9.138 0.127 18679 758 1 3 . 1 1 10 10 ASN N N 10 127.710 127.710 126.684 1.026 18679 759 1 3 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.609 0.324 18679 760 1 3 . 1 1 10 10 ASN C C 10 174.373 174.373 174.522 -0.149 18679 761 1 3 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.248 -0.350 18679 762 1 3 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.266 1.643 18679 763 1 3 . 1 1 10 10 ASN H H 10 8.223 8.223 8.376 -0.153 18679 764 1 3 . 1 1 11 11 ALA N N 11 129.186 129.186 125.257 3.929 18679 765 1 3 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.485 0.818 18679 766 1 3 . 1 1 11 11 ALA C C 11 176.087 176.087 178.331 -2.244 18679 767 1 3 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.608 -0.799 18679 768 1 3 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.632 0.069 18679 769 1 3 . 1 1 11 11 ALA H H 11 9.119 9.119 7.376 1.743 18679 770 1 3 . 1 1 12 12 GLU N N 12 116.366 116.366 116.256 0.110 18679 771 1 3 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.039 -0.016 18679 772 1 3 . 1 1 12 12 GLU C C 12 175.119 175.119 177.181 -2.062 18679 773 1 3 . 1 1 12 12 GLU CA C 12 58.448 58.448 57.820 0.628 18679 774 1 3 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.174 -0.017 18679 775 1 3 . 1 1 12 12 GLU H H 12 8.082 8.082 8.323 -0.241 18679 776 1 3 . 1 1 13 13 LYS N N 13 113.821 113.821 117.049 -3.228 18679 777 1 3 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.230 0.082 18679 778 1 3 . 1 1 13 13 LYS C C 13 177.130 177.130 176.892 0.238 18679 779 1 3 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.530 1.282 18679 780 1 3 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.160 1.454 18679 781 1 3 . 1 1 13 13 LYS H H 13 7.273 7.273 7.213 0.060 18679 782 1 3 . 1 1 14 14 GLY N N 14 105.929 105.929 108.033 -2.104 18679 783 1 3 . 1 1 14 14 GLY C C 14 172.485 172.485 173.161 -0.676 18679 784 1 3 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.282 1.472 18679 785 1 3 . 1 1 14 14 GLY H H 14 8.370 8.370 8.081 0.289 18679 786 1 3 . 1 1 15 15 PHE N N 15 112.060 112.060 114.621 -2.561 18679 787 1 3 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.392 -0.578 18679 788 1 3 . 1 1 15 15 PHE C C 15 171.414 171.414 172.837 -1.423 18679 789 1 3 . 1 1 15 15 PHE CA C 15 53.720 53.720 54.991 -1.271 18679 790 1 3 . 1 1 15 15 PHE CB C 15 42.723 42.723 40.612 2.111 18679 791 1 3 . 1 1 15 15 PHE H H 15 6.572 6.572 7.266 -0.694 18679 792 1 3 . 1 1 16 16 GLY N N 16 105.419 105.419 105.423 -0.004 18679 793 1 3 . 1 1 16 16 GLY C C 16 173.812 173.812 171.486 2.326 18679 794 1 3 . 1 1 16 16 GLY CA C 16 44.912 44.912 44.762 0.150 18679 795 1 3 . 1 1 16 16 GLY H H 16 7.851 7.851 8.023 -0.172 18679 796 1 3 . 1 1 17 17 PHE N N 17 115.154 115.154 118.801 -3.647 18679 797 1 3 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.333 -0.325 18679 798 1 3 . 1 1 17 17 PHE C C 17 174.568 174.568 174.828 -0.260 18679 799 1 3 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.663 0.061 18679 800 1 3 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.215 2.974 18679 801 1 3 . 1 1 17 17 PHE H H 17 7.800 7.800 9.183 -1.383 18679 802 1 3 . 1 1 18 18 ILE N N 18 122.756 122.756 124.132 -1.376 18679 803 1 3 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.628 -0.567 18679 804 1 3 . 1 1 18 18 ILE C C 18 174.459 174.459 175.299 -0.840 18679 805 1 3 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.341 -0.185 18679 806 1 3 . 1 1 18 18 ILE CB C 18 41.379 41.379 39.663 1.716 18679 807 1 3 . 1 1 18 18 ILE H H 18 9.337 9.337 9.151 0.186 18679 808 1 3 . 1 1 19 19 GLU N N 19 126.777 126.777 127.551 -0.774 18679 809 1 3 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.637 0.278 18679 810 1 3 . 1 1 19 19 GLU C C 19 175.169 175.169 174.817 0.352 18679 811 1 3 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.470 -0.490 18679 812 1 3 . 1 1 19 19 GLU CB C 19 32.204 32.204 30.618 1.586 18679 813 1 3 . 1 1 19 19 GLU H H 19 9.294 9.294 9.161 0.133 18679 814 1 3 . 1 1 20 20 ARG N N 20 123.573 123.573 126.116 -2.543 18679 815 1 3 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.730 -0.710 18679 816 1 3 . 1 1 20 20 ARG C C 20 176.345 176.345 177.084 -0.739 18679 817 1 3 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.777 0.629 18679 818 1 3 . 1 1 20 20 ARG CB C 20 33.630 33.630 33.147 0.483 18679 819 1 3 . 1 1 20 20 ARG H H 20 9.290 9.290 7.803 1.487 18679 820 1 3 . 1 1 21 21 GLU N N 21 121.542 121.542 124.412 -2.870 18679 821 1 3 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.016 0.084 18679 822 1 3 . 1 1 21 21 GLU C C 21 177.265 177.265 177.264 0.001 18679 823 1 3 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.282 -0.487 18679 824 1 3 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.000 0.908 18679 825 1 3 . 1 1 21 21 GLU H H 21 9.066 9.066 8.902 0.164 18679 826 1 3 . 1 1 22 22 ASN N N 22 115.336 115.336 116.230 -0.894 18679 827 1 3 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.689 0.059 18679 828 1 3 . 1 1 22 22 ASN C C 22 174.806 174.806 176.361 -1.555 18679 829 1 3 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.565 0.564 18679 830 1 3 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.356 0.664 18679 831 1 3 . 1 1 22 22 ASN H H 22 8.257 8.257 7.997 0.260 18679 832 1 3 . 1 1 23 23 GLY N N 23 107.564 107.564 108.534 -0.970 18679 833 1 3 . 1 1 23 23 GLY C C 23 172.948 172.948 174.123 -1.175 18679 834 1 3 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.334 -0.638 18679 835 1 3 . 1 1 23 23 GLY H H 23 7.866 7.866 8.109 -0.243 18679 836 1 3 . 1 1 24 24 ASP N N 24 120.038 120.038 122.102 -2.064 18679 837 1 3 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.660 -0.032 18679 838 1 3 . 1 1 24 24 ASP C C 24 175.559 175.559 175.588 -0.029 18679 839 1 3 . 1 1 24 24 ASP CA C 24 54.453 54.453 53.574 0.879 18679 840 1 3 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.813 0.730 18679 841 1 3 . 1 1 24 24 ASP H H 24 8.370 8.370 7.852 0.518 18679 842 1 3 . 1 1 25 25 ASP N N 25 120.666 120.666 123.263 -2.597 18679 843 1 3 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.825 0.096 18679 844 1 3 . 1 1 25 25 ASP C C 25 176.258 176.258 176.462 -0.204 18679 845 1 3 . 1 1 25 25 ASP CA C 25 54.973 54.973 53.699 1.274 18679 846 1 3 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.686 1.802 18679 847 1 3 . 1 1 25 25 ASP H H 25 8.698 8.698 7.977 0.721 18679 848 1 3 . 1 1 26 26 VAL N N 26 120.541 120.541 123.051 -2.510 18679 849 1 3 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.262 0.084 18679 850 1 3 . 1 1 26 26 VAL C C 26 174.724 174.724 175.461 -0.737 18679 851 1 3 . 1 1 26 26 VAL CA C 26 60.847 60.847 62.215 -1.369 18679 852 1 3 . 1 1 26 26 VAL CB C 26 34.500 34.500 32.461 2.039 18679 853 1 3 . 1 1 26 26 VAL H H 26 9.365 9.365 8.969 0.396 18679 854 1 3 . 1 1 27 27 PHE N N 27 130.752 130.752 130.306 0.446 18679 855 1 3 . 1 1 27 27 PHE HA H 27 3.530 3.530 5.054 -1.524 18679 856 1 3 . 1 1 27 27 PHE C C 27 172.517 172.517 174.519 -2.002 18679 857 1 3 . 1 1 27 27 PHE CA C 27 58.978 58.978 56.916 2.062 18679 858 1 3 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.309 -0.376 18679 859 1 3 . 1 1 27 27 PHE H H 27 8.335 8.335 9.188 -0.853 18679 860 1 3 . 1 1 28 28 VAL N N 28 124.530 124.530 128.637 -4.107 18679 861 1 3 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.486 -0.093 18679 862 1 3 . 1 1 28 28 VAL C C 28 170.556 170.556 173.752 -3.196 18679 863 1 3 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.543 -1.837 18679 864 1 3 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.531 0.066 18679 865 1 3 . 1 1 28 28 VAL H H 28 7.411 7.411 8.423 -1.012 18679 866 1 3 . 1 1 29 29 HIS N N 29 127.448 127.448 122.264 5.184 18679 867 1 3 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.264 -0.705 18679 868 1 3 . 1 1 29 29 HIS C C 29 177.582 177.582 176.621 0.961 18679 869 1 3 . 1 1 29 29 HIS CA C 29 55.739 55.739 53.157 2.582 18679 870 1 3 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.437 1.105 18679 871 1 3 . 1 1 29 29 HIS H H 29 8.561 8.561 7.824 0.737 18679 872 1 3 . 1 1 30 30 PHE N N 30 122.691 122.691 118.674 4.017 18679 873 1 3 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.237 -0.375 18679 874 1 3 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.586 -0.596 18679 875 1 3 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.497 -2.017 18679 876 1 3 . 1 1 30 30 PHE H H 30 7.970 7.970 8.733 -0.763 18679 877 1 3 . 1 1 31 31 SER N N 31 118.356 118.356 114.899 3.457 18679 878 1 3 . 1 1 31 31 SER HA H 31 3.858 3.858 4.251 -0.393 18679 879 1 3 . 1 1 31 31 SER C C 31 175.382 175.382 174.173 1.209 18679 880 1 3 . 1 1 31 31 SER CA C 31 59.761 59.761 59.425 0.336 18679 881 1 3 . 1 1 31 31 SER CB C 31 62.630 62.630 63.247 -0.617 18679 882 1 3 . 1 1 31 31 SER H H 31 7.623 7.623 7.501 0.122 18679 883 1 3 . 1 1 32 32 ALA N N 32 124.536 124.536 122.394 2.142 18679 884 1 3 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.370 0.035 18679 885 1 3 . 1 1 32 32 ALA C C 32 177.706 177.706 176.287 1.419 18679 886 1 3 . 1 1 32 32 ALA CA C 32 52.384 52.384 51.783 0.601 18679 887 1 3 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.335 0.838 18679 888 1 3 . 1 1 32 32 ALA H H 32 7.902 7.902 7.677 0.225 18679 889 1 3 . 1 1 33 33 ILE N N 33 121.051 121.051 120.401 0.650 18679 890 1 3 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.964 -0.123 18679 891 1 3 . 1 1 33 33 ILE C C 33 175.517 175.517 175.082 0.435 18679 892 1 3 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.032 1.220 18679 893 1 3 . 1 1 33 33 ILE CB C 33 37.984 37.984 39.042 -1.058 18679 894 1 3 . 1 1 33 33 ILE H H 33 7.595 7.595 7.220 0.375 18679 895 1 3 . 1 1 34 34 GLN N N 34 126.803 126.803 125.468 1.335 18679 896 1 3 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.255 0.000 18679 897 1 3 . 1 1 34 34 GLN C C 34 176.167 176.167 175.416 0.751 18679 898 1 3 . 1 1 34 34 GLN CA C 34 55.872 55.872 56.046 -0.174 18679 899 1 3 . 1 1 34 34 GLN CB C 34 29.510 29.510 28.348 1.162 18679 900 1 3 . 1 1 34 34 GLN H H 34 8.714 8.714 8.597 0.117 18679 901 1 3 . 1 1 35 35 GLY N N 35 110.928 110.928 111.341 -0.413 18679 902 1 3 . 1 1 35 35 GLY C C 35 172.763 172.763 173.187 -0.424 18679 903 1 3 . 1 1 35 35 GLY CA C 35 44.838 44.838 45.081 -0.243 18679 904 1 3 . 1 1 35 35 GLY H H 35 8.411 8.411 8.345 0.066 18679 905 1 3 . 1 1 36 36 ASP N N 36 119.994 119.994 123.329 -3.335 18679 906 1 3 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.458 0.341 18679 907 1 3 . 1 1 36 36 ASP C C 36 176.584 176.584 176.955 -0.371 18679 908 1 3 . 1 1 36 36 ASP CA C 36 53.957 53.957 54.351 -0.394 18679 909 1 3 . 1 1 36 36 ASP CB C 36 42.297 42.297 39.234 3.063 18679 910 1 3 . 1 1 36 36 ASP H H 36 8.319 8.319 8.318 0.001 18679 911 1 3 . 1 1 37 37 GLY N N 37 108.688 108.688 111.669 -2.981 18679 912 1 3 . 1 1 37 37 GLY C C 37 176.528 176.528 174.873 1.655 18679 913 1 3 . 1 1 37 37 GLY CA C 37 44.676 44.676 46.564 -1.888 18679 914 1 3 . 1 1 37 37 GLY H H 37 8.390 8.390 8.518 -0.128 18679 915 1 3 . 1 1 38 38 PHE N N 38 122.793 122.793 119.200 3.593 18679 916 1 3 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.910 -0.143 18679 917 1 3 . 1 1 38 38 PHE C C 38 175.402 175.402 174.897 0.505 18679 918 1 3 . 1 1 38 38 PHE CA C 38 59.992 59.992 56.547 3.445 18679 919 1 3 . 1 1 38 38 PHE CB C 38 39.043 39.043 39.763 -0.720 18679 920 1 3 . 1 1 38 38 PHE H H 38 8.423 8.423 7.413 1.010 18679 921 1 3 . 1 1 39 39 LYS N N 39 123.349 123.349 121.884 1.465 18679 922 1 3 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.476 -0.143 18679 923 1 3 . 1 1 39 39 LYS C C 39 169.990 169.990 175.992 -6.002 18679 924 1 3 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.995 -0.517 18679 925 1 3 . 1 1 39 39 LYS CB C 39 32.335 32.335 32.839 -0.504 18679 926 1 3 . 1 1 39 39 LYS H H 39 8.592 8.592 7.582 1.010 18679 927 1 3 . 1 1 40 40 SER N N 40 113.941 113.941 116.212 -2.271 18679 928 1 3 . 1 1 40 40 SER HA H 40 3.673 3.673 4.639 -0.966 18679 929 1 3 . 1 1 40 40 SER CA C 40 57.015 57.015 57.386 -0.371 18679 930 1 3 . 1 1 40 40 SER CB C 40 64.589 64.589 65.563 -0.974 18679 931 1 3 . 1 1 40 40 SER H H 40 7.444 7.444 8.382 -0.938 18679 932 1 3 . 1 1 41 41 LEU N N 41 117.107 117.107 119.893 -2.786 18679 933 1 3 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.368 0.026 18679 934 1 3 . 1 1 41 41 LEU C C 41 173.917 173.917 175.778 -1.861 18679 935 1 3 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.497 -1.083 18679 936 1 3 . 1 1 41 41 LEU CB C 41 46.815 46.815 43.256 3.559 18679 937 1 3 . 1 1 41 41 LEU H H 41 5.598 5.598 7.708 -2.110 18679 938 1 3 . 1 1 42 42 ASP N N 42 118.896 118.896 119.385 -0.489 18679 939 1 3 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.700 0.194 18679 940 1 3 . 1 1 42 42 ASP C C 42 175.559 175.559 175.385 0.174 18679 941 1 3 . 1 1 42 42 ASP CA C 42 52.777 52.777 52.658 0.119 18679 942 1 3 . 1 1 42 42 ASP CB C 42 42.970 42.970 43.502 -0.531 18679 943 1 3 . 1 1 42 42 ASP H H 42 8.156 8.156 8.319 -0.163 18679 944 1 3 . 1 1 43 43 GLU N N 43 121.023 121.023 124.561 -3.538 18679 945 1 3 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.104 -0.586 18679 946 1 3 . 1 1 43 43 GLU C C 43 177.211 177.211 177.031 0.180 18679 947 1 3 . 1 1 43 43 GLU CA C 43 58.444 58.444 56.661 1.783 18679 948 1 3 . 1 1 43 43 GLU CB C 43 29.531 29.531 28.756 0.775 18679 949 1 3 . 1 1 43 43 GLU H H 43 8.689 8.689 8.782 -0.093 18679 950 1 3 . 1 1 44 44 GLY N N 44 113.916 113.916 113.299 0.617 18679 951 1 3 . 1 1 44 44 GLY C C 44 173.870 173.870 173.736 0.134 18679 952 1 3 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.676 0.518 18679 953 1 3 . 1 1 44 44 GLY H H 44 8.971 8.971 9.206 -0.235 18679 954 1 3 . 1 1 45 45 GLN N N 45 120.533 120.533 120.898 -0.365 18679 955 1 3 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.410 -0.233 18679 956 1 3 . 1 1 45 45 GLN C C 45 175.454 175.454 174.576 0.878 18679 957 1 3 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.288 1.817 18679 958 1 3 . 1 1 45 45 GLN CB C 45 30.398 30.398 30.157 0.241 18679 959 1 3 . 1 1 45 45 GLN H H 45 7.634 7.634 7.693 -0.059 18679 960 1 3 . 1 1 46 46 ALA N N 46 130.118 130.118 129.896 0.222 18679 961 1 3 . 1 1 46 46 ALA HA H 46 4.933 4.933 4.993 -0.060 18679 962 1 3 . 1 1 46 46 ALA C C 46 178.148 178.148 176.363 1.785 18679 963 1 3 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.233 0.974 18679 964 1 3 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.583 -0.600 18679 965 1 3 . 1 1 46 46 ALA H H 46 8.894 8.894 8.747 0.147 18679 966 1 3 . 1 1 47 47 VAL N N 47 114.581 114.581 117.269 -2.688 18679 967 1 3 . 1 1 47 47 VAL HA H 47 5.408 5.408 5.138 0.270 18679 968 1 3 . 1 1 47 47 VAL C C 47 175.654 175.654 174.602 1.052 18679 969 1 3 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.289 -0.417 18679 970 1 3 . 1 1 47 47 VAL CB C 47 37.129 37.129 36.080 1.049 18679 971 1 3 . 1 1 47 47 VAL H H 47 8.591 8.591 9.089 -0.498 18679 972 1 3 . 1 1 48 48 THR N N 48 113.346 113.346 115.419 -2.073 18679 973 1 3 . 1 1 48 48 THR HA H 48 5.398 5.398 5.289 0.109 18679 974 1 3 . 1 1 48 48 THR C C 48 177.527 177.527 174.672 2.855 18679 975 1 3 . 1 1 48 48 THR CA C 48 60.253 60.253 59.898 0.355 18679 976 1 3 . 1 1 48 48 THR CB C 48 71.323 71.323 69.409 1.914 18679 977 1 3 . 1 1 48 48 THR H H 48 8.943 8.943 8.893 0.050 18679 978 1 3 . 1 1 49 49 PHE N N 49 116.531 116.531 122.366 -5.835 18679 979 1 3 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.826 -0.823 18679 980 1 3 . 1 1 49 49 PHE C C 49 171.900 171.900 174.415 -2.515 18679 981 1 3 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.537 2.052 18679 982 1 3 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.371 -2.630 18679 983 1 3 . 1 1 49 49 PHE H H 49 8.214 8.214 7.757 0.457 18679 984 1 3 . 1 1 50 50 ASP N N 50 118.134 118.134 121.276 -3.142 18679 985 1 3 . 1 1 50 50 ASP HA H 50 5.167 5.167 4.796 0.370 18679 986 1 3 . 1 1 50 50 ASP C C 50 175.559 175.559 175.430 0.129 18679 987 1 3 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.983 0.988 18679 988 1 3 . 1 1 50 50 ASP CB C 50 43.986 43.986 42.760 1.226 18679 989 1 3 . 1 1 50 50 ASP H H 50 8.862 8.862 8.700 0.162 18679 990 1 3 . 1 1 51 51 VAL N N 51 120.815 120.815 126.485 -5.670 18679 991 1 3 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.277 0.493 18679 992 1 3 . 1 1 51 51 VAL C C 51 175.378 175.378 174.797 0.581 18679 993 1 3 . 1 1 51 51 VAL CA C 51 62.046 62.046 62.557 -0.511 18679 994 1 3 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.467 1.387 18679 995 1 3 . 1 1 51 51 VAL H H 51 8.700 8.700 8.622 0.078 18679 996 1 3 . 1 1 52 52 GLU N N 52 127.575 127.575 130.491 -2.916 18679 997 1 3 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.560 0.220 18679 998 1 3 . 1 1 52 52 GLU C C 52 175.436 175.436 174.988 0.448 18679 999 1 3 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.902 -0.769 18679 1000 1 3 . 1 1 52 52 GLU CB C 52 32.295 32.295 31.346 0.949 18679 1001 1 3 . 1 1 52 52 GLU H H 52 9.062 9.062 8.822 0.240 18679 1002 1 3 . 1 1 53 53 GLU N N 53 124.119 124.119 126.094 -1.975 18679 1003 1 3 . 1 1 53 53 GLU HA H 53 4.260 4.260 5.328 -1.068 18679 1004 1 3 . 1 1 53 53 GLU C C 53 176.436 176.436 175.656 0.780 18679 1005 1 3 . 1 1 53 53 GLU CA C 53 56.417 56.417 54.567 1.850 18679 1006 1 3 . 1 1 53 53 GLU CB C 53 29.392 29.392 31.442 -2.050 18679 1007 1 3 . 1 1 53 53 GLU H H 53 8.808 8.808 8.732 0.076 18679 1008 1 3 . 1 1 54 54 GLY N N 54 113.794 113.794 113.498 0.296 18679 1009 1 3 . 1 1 54 54 GLY C C 54 175.559 175.559 175.424 0.135 18679 1010 1 3 . 1 1 54 54 GLY CA C 54 44.527 44.527 45.186 -0.659 18679 1011 1 3 . 1 1 54 54 GLY H H 54 7.822 7.822 8.693 -0.871 18679 1012 1 3 . 1 1 55 55 GLN N N 55 121.059 121.059 119.622 1.437 18679 1013 1 3 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.313 0.444 18679 1014 1 3 . 1 1 55 55 GLN C C 55 177.419 177.419 177.535 -0.116 18679 1015 1 3 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.694 0.930 18679 1016 1 3 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.651 0.582 18679 1017 1 3 . 1 1 55 55 GLN H H 55 8.685 8.685 8.573 0.112 18679 1018 1 3 . 1 1 56 56 ARG N N 56 116.444 116.444 117.076 -0.632 18679 1019 1 3 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.388 0.038 18679 1020 1 3 . 1 1 56 56 ARG C C 56 175.110 175.110 176.742 -1.632 18679 1021 1 3 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.098 -0.262 18679 1022 1 3 . 1 1 56 56 ARG CB C 56 30.092 30.092 29.662 0.430 18679 1023 1 3 . 1 1 56 56 ARG H H 56 8.491 8.491 8.255 0.236 18679 1024 1 3 . 1 1 57 57 GLY N N 57 107.667 107.667 107.973 -0.306 18679 1025 1 3 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.512 -0.311 18679 1026 1 3 . 1 1 57 57 GLY H H 57 7.316 7.316 7.417 -0.101 18679 1027 1 3 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.971 -0.161 18679 1028 1 3 . 1 1 58 58 PRO C C 58 176.345 176.345 175.346 0.999 18679 1029 1 3 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.516 0.602 18679 1030 1 3 . 1 1 58 58 PRO CB C 58 32.517 32.517 30.975 1.542 18679 1031 1 3 . 1 1 59 59 GLN N N 59 121.136 121.136 123.021 -1.885 18679 1032 1 3 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.299 -0.139 18679 1033 1 3 . 1 1 59 59 GLN C C 59 173.910 173.910 174.342 -0.432 18679 1034 1 3 . 1 1 59 59 GLN CA C 59 54.284 54.284 52.931 1.353 18679 1035 1 3 . 1 1 59 59 GLN CB C 59 32.688 32.688 31.851 0.837 18679 1036 1 3 . 1 1 59 59 GLN H H 59 9.086 9.086 9.184 -0.098 18679 1037 1 3 . 1 1 60 60 ALA N N 60 123.241 123.241 126.312 -3.071 18679 1038 1 3 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.658 0.220 18679 1039 1 3 . 1 1 60 60 ALA C C 60 176.210 176.210 175.622 0.588 18679 1040 1 3 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.153 0.063 18679 1041 1 3 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.911 0.360 18679 1042 1 3 . 1 1 60 60 ALA H H 60 8.796 8.796 8.699 0.097 18679 1043 1 3 . 1 1 61 61 ALA N N 61 123.741 123.741 125.214 -1.473 18679 1044 1 3 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.605 0.065 18679 1045 1 3 . 1 1 61 61 ALA C C 61 175.840 175.840 175.807 0.033 18679 1046 1 3 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.433 0.435 18679 1047 1 3 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.772 0.291 18679 1048 1 3 . 1 1 61 61 ALA H H 61 9.165 9.165 8.686 0.479 18679 1049 1 3 . 1 1 62 62 ASN N N 62 118.727 118.727 117.998 0.729 18679 1050 1 3 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.335 -0.085 18679 1051 1 3 . 1 1 62 62 ASN C C 62 178.093 178.093 173.632 4.461 18679 1052 1 3 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.096 -0.129 18679 1053 1 3 . 1 1 62 62 ASN CB C 62 37.229 37.229 37.227 0.002 18679 1054 1 3 . 1 1 62 62 ASN H H 62 9.288 9.288 8.690 0.598 18679 1055 1 3 . 1 1 63 63 VAL N N 63 116.869 116.869 122.137 -5.268 18679 1056 1 3 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.223 0.160 18679 1057 1 3 . 1 1 63 63 VAL C C 63 175.378 175.378 174.849 0.529 18679 1058 1 3 . 1 1 63 63 VAL CA C 63 63.116 63.116 62.315 0.801 18679 1059 1 3 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.517 -0.008 18679 1060 1 3 . 1 1 63 63 VAL H H 63 8.129 8.129 8.352 -0.223 18679 1061 1 3 . 1 1 64 64 GLN N N 64 127.534 127.534 128.241 -0.707 18679 1062 1 3 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.643 0.134 18679 1063 1 3 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.982 0.151 18679 1064 1 3 . 1 1 64 64 GLN CB C 64 32.174 32.174 31.660 0.514 18679 1065 1 3 . 1 1 64 64 GLN H H 64 9.104 9.104 8.605 0.499 18679 1066 1 3 . 1 1 65 65 LYS N N 65 122.593 122.593 123.127 -0.534 18679 1067 1 3 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.193 0.102 18679 1068 1 3 . 1 1 65 65 LYS C C 65 175.520 175.520 175.965 -0.445 18679 1069 1 3 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.635 1.125 18679 1070 1 3 . 1 1 65 65 LYS CB C 65 32.714 32.714 33.007 -0.293 18679 1071 1 3 . 1 1 65 65 LYS H H 65 8.637 8.637 8.616 0.021 18679 1072 1 4 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.280 0.646 18679 1073 1 4 . 1 1 2 2 GLU C C 2 173.979 173.979 174.481 -0.502 18679 1074 1 4 . 1 1 2 2 GLU CB C 2 26.849 26.849 28.393 -1.544 18679 1075 1 4 . 1 1 3 3 GLN N N 3 116.901 116.901 124.242 -7.341 18679 1076 1 4 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.850 0.300 18679 1077 1 4 . 1 1 3 3 GLN C C 3 175.962 175.962 175.782 0.180 18679 1078 1 4 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.946 -0.822 18679 1079 1 4 . 1 1 3 3 GLN CB C 3 31.938 31.938 30.814 1.124 18679 1080 1 4 . 1 1 3 3 GLN H H 3 8.202 8.202 8.013 0.189 18679 1081 1 4 . 1 1 4 4 GLY N N 4 108.174 108.174 111.209 -3.035 18679 1082 1 4 . 1 1 4 4 GLY C C 4 172.109 172.109 172.305 -0.196 18679 1083 1 4 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.373 1.241 18679 1084 1 4 . 1 1 4 4 GLY H H 4 8.629 8.629 9.085 -0.456 18679 1085 1 4 . 1 1 5 5 THR N N 5 114.528 114.528 116.204 -1.676 18679 1086 1 4 . 1 1 5 5 THR HA H 5 5.210 5.210 4.931 0.279 18679 1087 1 4 . 1 1 5 5 THR C C 5 173.994 173.994 173.957 0.037 18679 1088 1 4 . 1 1 5 5 THR CA C 5 60.077 60.077 61.610 -1.533 18679 1089 1 4 . 1 1 5 5 THR CB C 5 71.635 71.635 71.424 0.211 18679 1090 1 4 . 1 1 5 5 THR H H 5 8.417 8.417 8.005 0.412 18679 1091 1 4 . 1 1 6 6 VAL N N 6 125.816 125.816 128.411 -2.595 18679 1092 1 4 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.820 -0.299 18679 1093 1 4 . 1 1 6 6 VAL C C 6 175.620 175.620 175.887 -0.267 18679 1094 1 4 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.657 1.411 18679 1095 1 4 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.760 0.872 18679 1096 1 4 . 1 1 6 6 VAL H H 6 8.908 8.908 8.493 0.415 18679 1097 1 4 . 1 1 7 7 LYS N N 7 135.919 135.919 130.013 5.906 18679 1098 1 4 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.220 -0.006 18679 1099 1 4 . 1 1 7 7 LYS C C 7 175.913 175.913 175.894 0.019 18679 1100 1 4 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.464 0.290 18679 1101 1 4 . 1 1 7 7 LYS CB C 7 35.092 35.092 32.917 2.175 18679 1102 1 4 . 1 1 7 7 LYS H H 7 9.260 9.260 8.052 1.208 18679 1103 1 4 . 1 1 8 8 TRP N N 8 110.597 110.597 115.300 -4.703 18679 1104 1 4 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.795 -0.228 18679 1105 1 4 . 1 1 8 8 TRP C C 8 173.327 173.327 173.562 -0.235 18679 1106 1 4 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.627 0.244 18679 1107 1 4 . 1 1 8 8 TRP CB C 8 30.675 30.675 30.308 0.367 18679 1108 1 4 . 1 1 8 8 TRP H H 8 7.372 7.372 7.123 0.249 18679 1109 1 4 . 1 1 9 9 PHE N N 9 120.373 120.373 122.113 -1.740 18679 1110 1 4 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.883 -0.703 18679 1111 1 4 . 1 1 9 9 PHE C C 9 172.561 172.561 174.188 -1.627 18679 1112 1 4 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.810 2.300 18679 1113 1 4 . 1 1 9 9 PHE CB C 9 42.287 42.287 41.591 0.696 18679 1114 1 4 . 1 1 9 9 PHE H H 9 9.265 9.265 8.720 0.545 18679 1115 1 4 . 1 1 10 10 ASN N N 10 127.710 127.710 127.174 0.536 18679 1116 1 4 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.511 0.422 18679 1117 1 4 . 1 1 10 10 ASN C C 10 174.373 174.373 174.625 -0.252 18679 1118 1 4 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.196 -0.298 18679 1119 1 4 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.047 1.862 18679 1120 1 4 . 1 1 10 10 ASN H H 10 8.223 8.223 8.277 -0.054 18679 1121 1 4 . 1 1 11 11 ALA N N 11 129.186 129.186 126.267 2.919 18679 1122 1 4 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.385 0.918 18679 1123 1 4 . 1 1 11 11 ALA C C 11 176.087 176.087 178.499 -2.412 18679 1124 1 4 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.889 -1.080 18679 1125 1 4 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.797 -0.096 18679 1126 1 4 . 1 1 11 11 ALA H H 11 9.119 9.119 7.462 1.657 18679 1127 1 4 . 1 1 12 12 GLU N N 12 116.366 116.366 116.405 -0.039 18679 1128 1 4 . 1 1 12 12 GLU HA H 12 4.023 4.023 3.998 0.025 18679 1129 1 4 . 1 1 12 12 GLU C C 12 175.119 175.119 177.320 -2.201 18679 1130 1 4 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.036 0.412 18679 1131 1 4 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.112 0.044 18679 1132 1 4 . 1 1 12 12 GLU H H 12 8.082 8.082 8.331 -0.249 18679 1133 1 4 . 1 1 13 13 LYS N N 13 113.821 113.821 116.890 -3.069 18679 1134 1 4 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.244 0.068 18679 1135 1 4 . 1 1 13 13 LYS C C 13 177.130 177.130 177.090 0.040 18679 1136 1 4 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.551 1.261 18679 1137 1 4 . 1 1 13 13 LYS CB C 13 34.614 34.614 32.892 1.722 18679 1138 1 4 . 1 1 13 13 LYS H H 13 7.273 7.273 7.126 0.147 18679 1139 1 4 . 1 1 14 14 GLY N N 14 105.929 105.929 107.608 -1.679 18679 1140 1 4 . 1 1 14 14 GLY C C 14 172.485 172.485 173.305 -0.820 18679 1141 1 4 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.270 1.484 18679 1142 1 4 . 1 1 14 14 GLY H H 14 8.370 8.370 8.009 0.361 18679 1143 1 4 . 1 1 15 15 PHE N N 15 112.060 112.060 115.502 -3.442 18679 1144 1 4 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.516 -0.702 18679 1145 1 4 . 1 1 15 15 PHE C C 15 171.414 171.414 172.923 -1.509 18679 1146 1 4 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.054 -1.334 18679 1147 1 4 . 1 1 15 15 PHE CB C 15 42.723 42.723 40.642 2.081 18679 1148 1 4 . 1 1 15 15 PHE H H 15 6.572 6.572 7.038 -0.466 18679 1149 1 4 . 1 1 16 16 GLY N N 16 105.419 105.419 106.738 -1.319 18679 1150 1 4 . 1 1 16 16 GLY C C 16 173.812 173.812 171.488 2.324 18679 1151 1 4 . 1 1 16 16 GLY CA C 16 44.912 44.912 43.657 1.255 18679 1152 1 4 . 1 1 16 16 GLY H H 16 7.851 7.851 8.712 -0.861 18679 1153 1 4 . 1 1 17 17 PHE N N 17 115.154 115.154 117.637 -2.483 18679 1154 1 4 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.469 -0.461 18679 1155 1 4 . 1 1 17 17 PHE C C 17 174.568 174.568 174.572 -0.004 18679 1156 1 4 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.237 0.487 18679 1157 1 4 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.618 2.571 18679 1158 1 4 . 1 1 17 17 PHE H H 17 7.800 7.800 8.280 -0.480 18679 1159 1 4 . 1 1 18 18 ILE N N 18 122.756 122.756 123.379 -0.623 18679 1160 1 4 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.568 -0.507 18679 1161 1 4 . 1 1 18 18 ILE C C 18 174.459 174.459 175.216 -0.757 18679 1162 1 4 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.025 0.131 18679 1163 1 4 . 1 1 18 18 ILE CB C 18 41.379 41.379 39.935 1.444 18679 1164 1 4 . 1 1 18 18 ILE H H 18 9.337 9.337 8.613 0.724 18679 1165 1 4 . 1 1 19 19 GLU N N 19 126.777 126.777 126.263 0.514 18679 1166 1 4 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.448 0.467 18679 1167 1 4 . 1 1 19 19 GLU C C 19 175.169 175.169 175.296 -0.127 18679 1168 1 4 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.792 -0.812 18679 1169 1 4 . 1 1 19 19 GLU CB C 19 32.204 32.204 30.629 1.575 18679 1170 1 4 . 1 1 19 19 GLU H H 19 9.294 9.294 8.475 0.819 18679 1171 1 4 . 1 1 20 20 ARG N N 20 123.573 123.573 124.207 -0.634 18679 1172 1 4 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.739 -0.719 18679 1173 1 4 . 1 1 20 20 ARG C C 20 176.345 176.345 177.886 -1.541 18679 1174 1 4 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.607 0.799 18679 1175 1 4 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.718 0.912 18679 1176 1 4 . 1 1 20 20 ARG H H 20 9.290 9.290 7.666 1.624 18679 1177 1 4 . 1 1 21 21 GLU N N 21 121.542 121.542 122.833 -1.291 18679 1178 1 4 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.008 0.092 18679 1179 1 4 . 1 1 21 21 GLU C C 21 177.265 177.265 177.094 0.171 18679 1180 1 4 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.564 -0.769 18679 1181 1 4 . 1 1 21 21 GLU CB C 21 29.908 29.908 28.973 0.936 18679 1182 1 4 . 1 1 21 21 GLU H H 21 9.066 9.066 9.095 -0.029 18679 1183 1 4 . 1 1 22 22 ASN N N 22 115.336 115.336 115.014 0.322 18679 1184 1 4 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.695 0.053 18679 1185 1 4 . 1 1 22 22 ASN C C 22 174.806 174.806 176.481 -1.675 18679 1186 1 4 . 1 1 22 22 ASN CA C 22 53.129 53.129 53.062 0.067 18679 1187 1 4 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.088 0.932 18679 1188 1 4 . 1 1 22 22 ASN H H 22 8.257 8.257 8.301 -0.044 18679 1189 1 4 . 1 1 23 23 GLY N N 23 107.564 107.564 107.858 -0.294 18679 1190 1 4 . 1 1 23 23 GLY C C 23 172.948 172.948 173.377 -0.429 18679 1191 1 4 . 1 1 23 23 GLY CA C 23 44.696 44.696 44.990 -0.294 18679 1192 1 4 . 1 1 23 23 GLY H H 23 7.866 7.866 7.986 -0.120 18679 1193 1 4 . 1 1 24 24 ASP N N 24 120.038 120.038 121.527 -1.489 18679 1194 1 4 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.585 0.043 18679 1195 1 4 . 1 1 24 24 ASP C C 24 175.559 175.559 175.764 -0.205 18679 1196 1 4 . 1 1 24 24 ASP CA C 24 54.453 54.453 54.081 0.371 18679 1197 1 4 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.686 0.858 18679 1198 1 4 . 1 1 24 24 ASP H H 24 8.370 8.370 8.170 0.200 18679 1199 1 4 . 1 1 25 25 ASP N N 25 120.666 120.666 123.568 -2.902 18679 1200 1 4 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.589 0.332 18679 1201 1 4 . 1 1 25 25 ASP C C 25 176.258 176.258 176.552 -0.294 18679 1202 1 4 . 1 1 25 25 ASP CA C 25 54.973 54.973 53.771 1.202 18679 1203 1 4 . 1 1 25 25 ASP CB C 25 42.488 42.488 39.754 2.734 18679 1204 1 4 . 1 1 25 25 ASP H H 25 8.698 8.698 7.953 0.745 18679 1205 1 4 . 1 1 26 26 VAL N N 26 120.541 120.541 122.245 -1.704 18679 1206 1 4 . 1 1 26 26 VAL HA H 26 4.346 4.346 3.961 0.385 18679 1207 1 4 . 1 1 26 26 VAL C C 26 174.724 174.724 175.765 -1.041 18679 1208 1 4 . 1 1 26 26 VAL CA C 26 60.847 60.847 63.122 -2.275 18679 1209 1 4 . 1 1 26 26 VAL CB C 26 34.500 34.500 32.269 2.231 18679 1210 1 4 . 1 1 26 26 VAL H H 26 9.365 9.365 8.664 0.701 18679 1211 1 4 . 1 1 27 27 PHE N N 27 130.752 130.752 130.295 0.457 18679 1212 1 4 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.727 -1.197 18679 1213 1 4 . 1 1 27 27 PHE C C 27 172.517 172.517 174.135 -1.618 18679 1214 1 4 . 1 1 27 27 PHE CA C 27 58.978 58.978 57.795 1.183 18679 1215 1 4 . 1 1 27 27 PHE CB C 27 39.934 39.934 39.922 0.012 18679 1216 1 4 . 1 1 27 27 PHE H H 27 8.335 8.335 8.240 0.095 18679 1217 1 4 . 1 1 28 28 VAL N N 28 124.530 124.530 128.182 -3.652 18679 1218 1 4 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.469 -0.076 18679 1219 1 4 . 1 1 28 28 VAL C C 28 170.556 170.556 173.467 -2.911 18679 1220 1 4 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.328 -1.622 18679 1221 1 4 . 1 1 28 28 VAL CB C 28 34.597 34.597 35.041 -0.444 18679 1222 1 4 . 1 1 28 28 VAL H H 28 7.411 7.411 8.257 -0.846 18679 1223 1 4 . 1 1 29 29 HIS N N 29 127.448 127.448 123.488 3.960 18679 1224 1 4 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.347 -0.788 18679 1225 1 4 . 1 1 29 29 HIS C C 29 177.582 177.582 176.261 1.321 18679 1226 1 4 . 1 1 29 29 HIS CA C 29 55.739 55.739 53.344 2.395 18679 1227 1 4 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.547 0.995 18679 1228 1 4 . 1 1 29 29 HIS H H 29 8.561 8.561 7.992 0.569 18679 1229 1 4 . 1 1 30 30 PHE N N 30 122.691 122.691 121.420 1.271 18679 1230 1 4 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.400 -0.538 18679 1231 1 4 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.191 -0.202 18679 1232 1 4 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.947 -2.467 18679 1233 1 4 . 1 1 30 30 PHE H H 30 7.970 7.970 8.571 -0.601 18679 1234 1 4 . 1 1 31 31 SER N N 31 118.356 118.356 113.737 4.619 18679 1235 1 4 . 1 1 31 31 SER HA H 31 3.858 3.858 4.128 -0.270 18679 1236 1 4 . 1 1 31 31 SER C C 31 175.382 175.382 174.297 1.085 18679 1237 1 4 . 1 1 31 31 SER CA C 31 59.761 59.761 58.219 1.542 18679 1238 1 4 . 1 1 31 31 SER CB C 31 62.630 62.630 62.834 -0.203 18679 1239 1 4 . 1 1 31 31 SER H H 31 7.623 7.623 7.668 -0.045 18679 1240 1 4 . 1 1 32 32 ALA N N 32 124.536 124.536 122.924 1.612 18679 1241 1 4 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.425 -0.020 18679 1242 1 4 . 1 1 32 32 ALA C C 32 177.706 177.706 175.865 1.841 18679 1243 1 4 . 1 1 32 32 ALA CA C 32 52.384 52.384 51.542 0.842 18679 1244 1 4 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.718 0.455 18679 1245 1 4 . 1 1 32 32 ALA H H 32 7.902 7.902 7.753 0.149 18679 1246 1 4 . 1 1 33 33 ILE N N 33 121.051 121.051 119.412 1.639 18679 1247 1 4 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.926 -0.085 18679 1248 1 4 . 1 1 33 33 ILE C C 33 175.517 175.517 175.425 0.092 18679 1249 1 4 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.532 0.720 18679 1250 1 4 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.486 -0.502 18679 1251 1 4 . 1 1 33 33 ILE H H 33 7.595 7.595 7.191 0.404 18679 1252 1 4 . 1 1 34 34 GLN N N 34 126.803 126.803 121.501 5.302 18679 1253 1 4 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.361 -0.106 18679 1254 1 4 . 1 1 34 34 GLN C C 34 176.167 176.167 175.774 0.393 18679 1255 1 4 . 1 1 34 34 GLN CA C 34 55.872 55.872 55.184 0.688 18679 1256 1 4 . 1 1 34 34 GLN CB C 34 29.510 29.510 29.661 -0.151 18679 1257 1 4 . 1 1 34 34 GLN H H 34 8.714 8.714 8.488 0.226 18679 1258 1 4 . 1 1 35 35 GLY N N 35 110.928 110.928 105.982 4.946 18679 1259 1 4 . 1 1 35 35 GLY C C 35 172.763 172.763 173.073 -0.310 18679 1260 1 4 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.859 -0.021 18679 1261 1 4 . 1 1 35 35 GLY H H 35 8.411 8.411 8.492 -0.081 18679 1262 1 4 . 1 1 36 36 ASP N N 36 119.994 119.994 119.085 0.909 18679 1263 1 4 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.666 0.133 18679 1264 1 4 . 1 1 36 36 ASP C C 36 176.584 176.584 177.272 -0.688 18679 1265 1 4 . 1 1 36 36 ASP CA C 36 53.957 53.957 52.743 1.214 18679 1266 1 4 . 1 1 36 36 ASP CB C 36 42.297 42.297 40.883 1.415 18679 1267 1 4 . 1 1 36 36 ASP H H 36 8.319 8.319 7.821 0.498 18679 1268 1 4 . 1 1 37 37 GLY N N 37 108.688 108.688 112.531 -3.843 18679 1269 1 4 . 1 1 37 37 GLY C C 37 176.528 176.528 173.537 2.991 18679 1270 1 4 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.872 -1.196 18679 1271 1 4 . 1 1 37 37 GLY H H 37 8.390 8.390 8.717 -0.327 18679 1272 1 4 . 1 1 38 38 PHE N N 38 122.793 122.793 119.353 3.440 18679 1273 1 4 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.805 -0.038 18679 1274 1 4 . 1 1 38 38 PHE C C 38 175.402 175.402 174.605 0.797 18679 1275 1 4 . 1 1 38 38 PHE CA C 38 59.992 59.992 56.301 3.691 18679 1276 1 4 . 1 1 38 38 PHE CB C 38 39.043 39.043 42.208 -3.165 18679 1277 1 4 . 1 1 38 38 PHE H H 38 8.423 8.423 7.735 0.688 18679 1278 1 4 . 1 1 39 39 LYS N N 39 123.349 123.349 119.895 3.454 18679 1279 1 4 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.493 -0.160 18679 1280 1 4 . 1 1 39 39 LYS C C 39 169.990 169.990 175.264 -5.274 18679 1281 1 4 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.525 -0.047 18679 1282 1 4 . 1 1 39 39 LYS CB C 39 32.335 32.335 32.111 0.224 18679 1283 1 4 . 1 1 39 39 LYS H H 39 8.592 8.592 8.541 0.051 18679 1284 1 4 . 1 1 40 40 SER N N 40 113.941 113.941 113.957 -0.016 18679 1285 1 4 . 1 1 40 40 SER HA H 40 3.673 3.673 4.569 -0.896 18679 1286 1 4 . 1 1 40 40 SER CA C 40 57.015 57.015 56.786 0.229 18679 1287 1 4 . 1 1 40 40 SER CB C 40 64.589 64.589 65.666 -1.077 18679 1288 1 4 . 1 1 40 40 SER H H 40 7.444 7.444 7.881 -0.437 18679 1289 1 4 . 1 1 41 41 LEU N N 41 117.107 117.107 122.827 -5.720 18679 1290 1 4 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.342 0.052 18679 1291 1 4 . 1 1 41 41 LEU C C 41 173.917 173.917 176.516 -2.599 18679 1292 1 4 . 1 1 41 41 LEU CA C 41 52.414 52.414 54.268 -1.854 18679 1293 1 4 . 1 1 41 41 LEU CB C 41 46.815 46.815 42.717 4.098 18679 1294 1 4 . 1 1 41 41 LEU H H 41 5.598 5.598 8.152 -2.554 18679 1295 1 4 . 1 1 42 42 ASP N N 42 118.896 118.896 123.093 -4.197 18679 1296 1 4 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.661 0.233 18679 1297 1 4 . 1 1 42 42 ASP C C 42 175.559 175.559 175.453 0.106 18679 1298 1 4 . 1 1 42 42 ASP CA C 42 52.777 52.777 53.708 -0.931 18679 1299 1 4 . 1 1 42 42 ASP CB C 42 42.970 42.970 41.727 1.243 18679 1300 1 4 . 1 1 42 42 ASP H H 42 8.156 8.156 8.521 -0.365 18679 1301 1 4 . 1 1 43 43 GLU N N 43 121.023 121.023 124.704 -3.681 18679 1302 1 4 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.132 -0.614 18679 1303 1 4 . 1 1 43 43 GLU C C 43 177.211 177.211 177.709 -0.498 18679 1304 1 4 . 1 1 43 43 GLU CA C 43 58.444 58.444 57.768 0.676 18679 1305 1 4 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.247 0.284 18679 1306 1 4 . 1 1 43 43 GLU H H 43 8.689 8.689 8.864 -0.175 18679 1307 1 4 . 1 1 44 44 GLY N N 44 113.916 113.916 113.280 0.636 18679 1308 1 4 . 1 1 44 44 GLY C C 44 173.870 173.870 174.128 -0.258 18679 1309 1 4 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.923 0.271 18679 1310 1 4 . 1 1 44 44 GLY H H 44 8.971 8.971 9.196 -0.225 18679 1311 1 4 . 1 1 45 45 GLN N N 45 120.533 120.533 122.115 -1.582 18679 1312 1 4 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.390 -0.213 18679 1313 1 4 . 1 1 45 45 GLN C C 45 175.454 175.454 174.982 0.472 18679 1314 1 4 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.415 1.690 18679 1315 1 4 . 1 1 45 45 GLN CB C 45 30.398 30.398 29.494 0.904 18679 1316 1 4 . 1 1 45 45 GLN H H 45 7.634 7.634 7.718 -0.084 18679 1317 1 4 . 1 1 46 46 ALA N N 46 130.118 130.118 130.121 -0.003 18679 1318 1 4 . 1 1 46 46 ALA HA H 46 4.933 4.933 4.724 0.209 18679 1319 1 4 . 1 1 46 46 ALA C C 46 178.148 178.148 176.490 1.658 18679 1320 1 4 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.958 0.248 18679 1321 1 4 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.448 -0.465 18679 1322 1 4 . 1 1 46 46 ALA H H 46 8.894 8.894 8.783 0.111 18679 1323 1 4 . 1 1 47 47 VAL N N 47 114.581 114.581 116.813 -2.232 18679 1324 1 4 . 1 1 47 47 VAL HA H 47 5.408 5.408 5.222 0.186 18679 1325 1 4 . 1 1 47 47 VAL C C 47 175.654 175.654 174.805 0.849 18679 1326 1 4 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.225 -0.353 18679 1327 1 4 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.981 1.148 18679 1328 1 4 . 1 1 47 47 VAL H H 47 8.591 8.591 9.166 -0.575 18679 1329 1 4 . 1 1 48 48 THR N N 48 113.346 113.346 115.080 -1.734 18679 1330 1 4 . 1 1 48 48 THR HA H 48 5.398 5.398 5.335 0.063 18679 1331 1 4 . 1 1 48 48 THR C C 48 177.527 177.527 174.477 3.050 18679 1332 1 4 . 1 1 48 48 THR CA C 48 60.253 60.253 59.886 0.367 18679 1333 1 4 . 1 1 48 48 THR CB C 48 71.323 71.323 69.808 1.515 18679 1334 1 4 . 1 1 48 48 THR H H 48 8.943 8.943 8.931 0.012 18679 1335 1 4 . 1 1 49 49 PHE N N 49 116.531 116.531 122.118 -5.587 18679 1336 1 4 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.871 -0.868 18679 1337 1 4 . 1 1 49 49 PHE C C 49 171.900 171.900 173.252 -1.352 18679 1338 1 4 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.990 1.599 18679 1339 1 4 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.420 -2.679 18679 1340 1 4 . 1 1 49 49 PHE H H 49 8.214 8.214 8.326 -0.112 18679 1341 1 4 . 1 1 50 50 ASP N N 50 118.134 118.134 118.844 -0.710 18679 1342 1 4 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.119 0.048 18679 1343 1 4 . 1 1 50 50 ASP C C 50 175.559 175.559 175.762 -0.203 18679 1344 1 4 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.136 1.835 18679 1345 1 4 . 1 1 50 50 ASP CB C 50 43.986 43.986 44.413 -0.427 18679 1346 1 4 . 1 1 50 50 ASP H H 50 8.862 8.862 8.336 0.526 18679 1347 1 4 . 1 1 51 51 VAL N N 51 120.815 120.815 124.090 -3.275 18679 1348 1 4 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.284 0.486 18679 1349 1 4 . 1 1 51 51 VAL C C 51 175.378 175.378 175.209 0.169 18679 1350 1 4 . 1 1 51 51 VAL CA C 51 62.046 62.046 62.433 -0.387 18679 1351 1 4 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.526 1.328 18679 1352 1 4 . 1 1 51 51 VAL H H 51 8.700 8.700 8.432 0.268 18679 1353 1 4 . 1 1 52 52 GLU N N 52 127.575 127.575 128.828 -1.253 18679 1354 1 4 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.614 0.166 18679 1355 1 4 . 1 1 52 52 GLU C C 52 175.436 175.436 175.608 -0.172 18679 1356 1 4 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.303 -0.170 18679 1357 1 4 . 1 1 52 52 GLU CB C 52 32.295 32.295 32.890 -0.595 18679 1358 1 4 . 1 1 52 52 GLU H H 52 9.062 9.062 8.950 0.112 18679 1359 1 4 . 1 1 53 53 GLU N N 53 124.119 124.119 123.794 0.325 18679 1360 1 4 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.827 -0.567 18679 1361 1 4 . 1 1 53 53 GLU C C 53 176.436 176.436 175.441 0.995 18679 1362 1 4 . 1 1 53 53 GLU CA C 53 56.417 56.417 54.896 1.521 18679 1363 1 4 . 1 1 53 53 GLU CB C 53 29.392 29.392 30.444 -1.052 18679 1364 1 4 . 1 1 53 53 GLU H H 53 8.808 8.808 8.709 0.099 18679 1365 1 4 . 1 1 54 54 GLY N N 54 113.794 113.794 112.613 1.181 18679 1366 1 4 . 1 1 54 54 GLY C C 54 175.559 175.559 174.884 0.675 18679 1367 1 4 . 1 1 54 54 GLY CA C 54 44.527 44.527 43.844 0.683 18679 1368 1 4 . 1 1 54 54 GLY H H 54 7.822 7.822 8.164 -0.342 18679 1369 1 4 . 1 1 55 55 GLN N N 55 121.059 121.059 118.849 2.210 18679 1370 1 4 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.273 0.484 18679 1371 1 4 . 1 1 55 55 GLN C C 55 177.419 177.419 176.634 0.785 18679 1372 1 4 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.648 0.976 18679 1373 1 4 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.618 0.615 18679 1374 1 4 . 1 1 55 55 GLN H H 55 8.685 8.685 8.682 0.003 18679 1375 1 4 . 1 1 56 56 ARG N N 56 116.444 116.444 117.355 -0.911 18679 1376 1 4 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.397 0.029 18679 1377 1 4 . 1 1 56 56 ARG C C 56 175.110 175.110 176.730 -1.620 18679 1378 1 4 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.066 -0.231 18679 1379 1 4 . 1 1 56 56 ARG CB C 56 30.092 30.092 29.577 0.515 18679 1380 1 4 . 1 1 56 56 ARG H H 56 8.491 8.491 8.132 0.359 18679 1381 1 4 . 1 1 57 57 GLY N N 57 107.667 107.667 108.360 -0.693 18679 1382 1 4 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.463 -0.262 18679 1383 1 4 . 1 1 57 57 GLY H H 57 7.316 7.316 7.672 -0.356 18679 1384 1 4 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.955 -0.145 18679 1385 1 4 . 1 1 58 58 PRO C C 58 176.345 176.345 175.343 1.002 18679 1386 1 4 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.520 0.598 18679 1387 1 4 . 1 1 58 58 PRO CB C 58 32.517 32.517 31.059 1.458 18679 1388 1 4 . 1 1 59 59 GLN N N 59 121.136 121.136 122.923 -1.787 18679 1389 1 4 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.455 -0.295 18679 1390 1 4 . 1 1 59 59 GLN C C 59 173.910 173.910 174.832 -0.922 18679 1391 1 4 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.121 1.163 18679 1392 1 4 . 1 1 59 59 GLN CB C 59 32.688 32.688 31.251 1.437 18679 1393 1 4 . 1 1 59 59 GLN H H 59 9.086 9.086 8.653 0.433 18679 1394 1 4 . 1 1 60 60 ALA N N 60 123.241 123.241 127.695 -4.454 18679 1395 1 4 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.921 -0.043 18679 1396 1 4 . 1 1 60 60 ALA C C 60 176.210 176.210 175.580 0.630 18679 1397 1 4 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.388 -0.172 18679 1398 1 4 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.851 0.420 18679 1399 1 4 . 1 1 60 60 ALA H H 60 8.796 8.796 8.923 -0.127 18679 1400 1 4 . 1 1 61 61 ALA N N 61 123.741 123.741 125.280 -1.539 18679 1401 1 4 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.621 0.049 18679 1402 1 4 . 1 1 61 61 ALA C C 61 175.840 175.840 175.544 0.296 18679 1403 1 4 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.674 0.194 18679 1404 1 4 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.479 0.584 18679 1405 1 4 . 1 1 61 61 ALA H H 61 9.165 9.165 8.927 0.238 18679 1406 1 4 . 1 1 62 62 ASN N N 62 118.727 118.727 118.549 0.178 18679 1407 1 4 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.351 -0.101 18679 1408 1 4 . 1 1 62 62 ASN C C 62 178.093 178.093 173.490 4.603 18679 1409 1 4 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.071 -0.104 18679 1410 1 4 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.765 0.464 18679 1411 1 4 . 1 1 62 62 ASN H H 62 9.288 9.288 8.839 0.449 18679 1412 1 4 . 1 1 63 63 VAL N N 63 116.869 116.869 121.102 -4.233 18679 1413 1 4 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.385 -0.002 18679 1414 1 4 . 1 1 63 63 VAL C C 63 175.378 175.378 175.098 0.280 18679 1415 1 4 . 1 1 63 63 VAL CA C 63 63.116 63.116 61.362 1.754 18679 1416 1 4 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.970 -0.461 18679 1417 1 4 . 1 1 63 63 VAL H H 63 8.129 8.129 8.437 -0.308 18679 1418 1 4 . 1 1 64 64 GLN N N 64 127.534 127.534 127.337 0.197 18679 1419 1 4 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.631 0.146 18679 1420 1 4 . 1 1 64 64 GLN CA C 64 54.133 54.133 54.228 -0.095 18679 1421 1 4 . 1 1 64 64 GLN CB C 64 32.174 32.174 31.755 0.419 18679 1422 1 4 . 1 1 64 64 GLN H H 64 9.104 9.104 8.897 0.207 18679 1423 1 4 . 1 1 65 65 LYS N N 65 122.593 122.593 123.054 -0.461 18679 1424 1 4 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.270 0.025 18679 1425 1 4 . 1 1 65 65 LYS C C 65 175.520 175.520 175.872 -0.352 18679 1426 1 4 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.486 1.274 18679 1427 1 4 . 1 1 65 65 LYS CB C 65 32.714 32.714 33.087 -0.372 18679 1428 1 4 . 1 1 65 65 LYS H H 65 8.637 8.637 8.602 0.035 18679 1429 1 5 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.542 0.384 18679 1430 1 5 . 1 1 2 2 GLU C C 2 173.979 173.979 174.896 -0.917 18679 1431 1 5 . 1 1 2 2 GLU CB C 2 26.849 26.849 30.624 -3.775 18679 1432 1 5 . 1 1 3 3 GLN N N 3 116.901 116.901 117.455 -0.554 18679 1433 1 5 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.704 0.446 18679 1434 1 5 . 1 1 3 3 GLN C C 3 175.962 175.962 176.137 -0.175 18679 1435 1 5 . 1 1 3 3 GLN CA C 3 54.124 54.124 55.159 -1.035 18679 1436 1 5 . 1 1 3 3 GLN CB C 3 31.938 31.938 30.418 1.520 18679 1437 1 5 . 1 1 3 3 GLN H H 3 8.202 8.202 8.307 -0.105 18679 1438 1 5 . 1 1 4 4 GLY N N 4 108.174 108.174 109.099 -0.925 18679 1439 1 5 . 1 1 4 4 GLY C C 4 172.109 172.109 171.896 0.213 18679 1440 1 5 . 1 1 4 4 GLY CA C 4 45.614 45.614 45.514 0.100 18679 1441 1 5 . 1 1 4 4 GLY H H 4 8.629 8.629 8.987 -0.358 18679 1442 1 5 . 1 1 5 5 THR N N 5 114.528 114.528 118.604 -4.076 18679 1443 1 5 . 1 1 5 5 THR HA H 5 5.210 5.210 4.705 0.505 18679 1444 1 5 . 1 1 5 5 THR C C 5 173.994 173.994 174.505 -0.511 18679 1445 1 5 . 1 1 5 5 THR CA C 5 60.077 60.077 61.831 -1.754 18679 1446 1 5 . 1 1 5 5 THR CB C 5 71.635 71.635 70.140 1.495 18679 1447 1 5 . 1 1 5 5 THR H H 5 8.417 8.417 8.375 0.042 18679 1448 1 5 . 1 1 6 6 VAL N N 6 125.816 125.816 128.249 -2.433 18679 1449 1 5 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.727 -0.206 18679 1450 1 5 . 1 1 6 6 VAL C C 6 175.620 175.620 176.271 -0.651 18679 1451 1 5 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.763 1.305 18679 1452 1 5 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.428 1.204 18679 1453 1 5 . 1 1 6 6 VAL H H 6 8.908 8.908 8.918 -0.010 18679 1454 1 5 . 1 1 7 7 LYS N N 7 135.919 135.919 129.637 6.282 18679 1455 1 5 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.130 0.084 18679 1456 1 5 . 1 1 7 7 LYS C C 7 175.913 175.913 176.315 -0.402 18679 1457 1 5 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.933 -0.179 18679 1458 1 5 . 1 1 7 7 LYS CB C 7 35.092 35.092 32.289 2.803 18679 1459 1 5 . 1 1 7 7 LYS H H 7 9.260 9.260 8.104 1.156 18679 1460 1 5 . 1 1 8 8 TRP N N 8 110.597 110.597 116.211 -5.614 18679 1461 1 5 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.854 -0.287 18679 1462 1 5 . 1 1 8 8 TRP C C 8 173.327 173.327 173.707 -0.380 18679 1463 1 5 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.903 -0.032 18679 1464 1 5 . 1 1 8 8 TRP CB C 8 30.675 30.675 31.087 -0.412 18679 1465 1 5 . 1 1 8 8 TRP H H 8 7.372 7.372 7.358 0.014 18679 1466 1 5 . 1 1 9 9 PHE N N 9 120.373 120.373 123.799 -3.426 18679 1467 1 5 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.746 -0.566 18679 1468 1 5 . 1 1 9 9 PHE C C 9 172.561 172.561 174.133 -1.572 18679 1469 1 5 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.467 2.643 18679 1470 1 5 . 1 1 9 9 PHE CB C 9 42.287 42.287 41.716 0.571 18679 1471 1 5 . 1 1 9 9 PHE H H 9 9.265 9.265 8.584 0.681 18679 1472 1 5 . 1 1 10 10 ASN N N 10 127.710 127.710 126.967 0.743 18679 1473 1 5 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.508 0.425 18679 1474 1 5 . 1 1 10 10 ASN C C 10 174.373 174.373 174.898 -0.525 18679 1475 1 5 . 1 1 10 10 ASN CA C 10 51.898 51.898 51.828 0.070 18679 1476 1 5 . 1 1 10 10 ASN CB C 10 38.909 38.909 36.380 2.530 18679 1477 1 5 . 1 1 10 10 ASN H H 10 8.223 8.223 8.434 -0.211 18679 1478 1 5 . 1 1 11 11 ALA N N 11 129.186 129.186 125.482 3.704 18679 1479 1 5 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.708 0.595 18679 1480 1 5 . 1 1 11 11 ALA C C 11 176.087 176.087 178.202 -2.115 18679 1481 1 5 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.980 -1.171 18679 1482 1 5 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.771 -0.070 18679 1483 1 5 . 1 1 11 11 ALA H H 11 9.119 9.119 7.669 1.450 18679 1484 1 5 . 1 1 12 12 GLU N N 12 116.366 116.366 115.888 0.478 18679 1485 1 5 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.032 -0.009 18679 1486 1 5 . 1 1 12 12 GLU C C 12 175.119 175.119 177.407 -2.288 18679 1487 1 5 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.482 -0.034 18679 1488 1 5 . 1 1 12 12 GLU CB C 12 29.156 29.156 28.974 0.182 18679 1489 1 5 . 1 1 12 12 GLU H H 12 8.082 8.082 8.351 -0.269 18679 1490 1 5 . 1 1 13 13 LYS N N 13 113.821 113.821 117.126 -3.305 18679 1491 1 5 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.361 -0.049 18679 1492 1 5 . 1 1 13 13 LYS C C 13 177.130 177.130 177.061 0.069 18679 1493 1 5 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.373 1.439 18679 1494 1 5 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.511 1.103 18679 1495 1 5 . 1 1 13 13 LYS H H 13 7.273 7.273 7.272 0.001 18679 1496 1 5 . 1 1 14 14 GLY N N 14 105.929 105.929 108.275 -2.346 18679 1497 1 5 . 1 1 14 14 GLY C C 14 172.485 172.485 172.981 -0.496 18679 1498 1 5 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.171 1.583 18679 1499 1 5 . 1 1 14 14 GLY H H 14 8.370 8.370 8.175 0.195 18679 1500 1 5 . 1 1 15 15 PHE N N 15 112.060 112.060 115.382 -3.322 18679 1501 1 5 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.369 -0.555 18679 1502 1 5 . 1 1 15 15 PHE C C 15 171.414 171.414 172.742 -1.328 18679 1503 1 5 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.092 -1.372 18679 1504 1 5 . 1 1 15 15 PHE CB C 15 42.723 42.723 41.207 1.516 18679 1505 1 5 . 1 1 15 15 PHE H H 15 6.572 6.572 7.199 -0.627 18679 1506 1 5 . 1 1 16 16 GLY N N 16 105.419 105.419 106.641 -1.222 18679 1507 1 5 . 1 1 16 16 GLY C C 16 173.812 173.812 171.313 2.499 18679 1508 1 5 . 1 1 16 16 GLY CA C 16 44.912 44.912 45.291 -0.380 18679 1509 1 5 . 1 1 16 16 GLY H H 16 7.851 7.851 8.519 -0.668 18679 1510 1 5 . 1 1 17 17 PHE N N 17 115.154 115.154 117.545 -2.391 18679 1511 1 5 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.345 -0.337 18679 1512 1 5 . 1 1 17 17 PHE C C 17 174.568 174.568 174.252 0.316 18679 1513 1 5 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.852 -0.128 18679 1514 1 5 . 1 1 17 17 PHE CB C 17 45.189 45.189 43.674 1.515 18679 1515 1 5 . 1 1 17 17 PHE H H 17 7.800 7.800 8.858 -1.058 18679 1516 1 5 . 1 1 18 18 ILE N N 18 122.756 122.756 121.116 1.640 18679 1517 1 5 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.649 -0.588 18679 1518 1 5 . 1 1 18 18 ILE C C 18 174.459 174.459 174.568 -0.109 18679 1519 1 5 . 1 1 18 18 ILE CA C 18 60.156 60.156 59.570 0.586 18679 1520 1 5 . 1 1 18 18 ILE CB C 18 41.379 41.379 41.647 -0.268 18679 1521 1 5 . 1 1 18 18 ILE H H 18 9.337 9.337 9.181 0.156 18679 1522 1 5 . 1 1 19 19 GLU N N 19 126.777 126.777 124.644 2.133 18679 1523 1 5 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.519 0.396 18679 1524 1 5 . 1 1 19 19 GLU C C 19 175.169 175.169 174.467 0.702 18679 1525 1 5 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.324 -0.344 18679 1526 1 5 . 1 1 19 19 GLU CB C 19 32.204 32.204 31.697 0.507 18679 1527 1 5 . 1 1 19 19 GLU H H 19 9.294 9.294 8.641 0.653 18679 1528 1 5 . 1 1 20 20 ARG N N 20 123.573 123.573 121.489 2.084 18679 1529 1 5 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.797 -0.777 18679 1530 1 5 . 1 1 20 20 ARG C C 20 176.345 176.345 177.631 -1.286 18679 1531 1 5 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.973 0.433 18679 1532 1 5 . 1 1 20 20 ARG CB C 20 33.630 33.630 33.550 0.080 18679 1533 1 5 . 1 1 20 20 ARG H H 20 9.290 9.290 8.337 0.953 18679 1534 1 5 . 1 1 21 21 GLU N N 21 121.542 121.542 123.912 -2.370 18679 1535 1 5 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.044 0.056 18679 1536 1 5 . 1 1 21 21 GLU C C 21 177.265 177.265 176.701 0.564 18679 1537 1 5 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.086 -0.291 18679 1538 1 5 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.407 0.501 18679 1539 1 5 . 1 1 21 21 GLU H H 21 9.066 9.066 9.108 -0.042 18679 1540 1 5 . 1 1 22 22 ASN N N 22 115.336 115.336 115.424 -0.088 18679 1541 1 5 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.811 -0.063 18679 1542 1 5 . 1 1 22 22 ASN C C 22 174.806 174.806 175.870 -1.064 18679 1543 1 5 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.849 0.280 18679 1544 1 5 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.123 0.897 18679 1545 1 5 . 1 1 22 22 ASN H H 22 8.257 8.257 8.208 0.049 18679 1546 1 5 . 1 1 23 23 GLY N N 23 107.564 107.564 108.718 -1.154 18679 1547 1 5 . 1 1 23 23 GLY C C 23 172.948 172.948 173.600 -0.652 18679 1548 1 5 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.550 -0.854 18679 1549 1 5 . 1 1 23 23 GLY H H 23 7.866 7.866 7.990 -0.124 18679 1550 1 5 . 1 1 24 24 ASP N N 24 120.038 120.038 121.327 -1.289 18679 1551 1 5 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.647 -0.019 18679 1552 1 5 . 1 1 24 24 ASP C C 24 175.559 175.559 176.281 -0.722 18679 1553 1 5 . 1 1 24 24 ASP CA C 24 54.453 54.453 53.171 1.282 18679 1554 1 5 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.671 0.873 18679 1555 1 5 . 1 1 24 24 ASP H H 24 8.370 8.370 8.018 0.352 18679 1556 1 5 . 1 1 25 25 ASP N N 25 120.666 120.666 123.061 -2.395 18679 1557 1 5 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.574 0.347 18679 1558 1 5 . 1 1 25 25 ASP C C 25 176.258 176.258 175.973 0.285 18679 1559 1 5 . 1 1 25 25 ASP CA C 25 54.973 54.973 54.206 0.767 18679 1560 1 5 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.968 1.520 18679 1561 1 5 . 1 1 25 25 ASP H H 25 8.698 8.698 7.915 0.783 18679 1562 1 5 . 1 1 26 26 VAL N N 26 120.541 120.541 122.092 -1.551 18679 1563 1 5 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.451 -0.105 18679 1564 1 5 . 1 1 26 26 VAL C C 26 174.724 174.724 174.957 -0.233 18679 1565 1 5 . 1 1 26 26 VAL CA C 26 60.847 60.847 61.227 -0.380 18679 1566 1 5 . 1 1 26 26 VAL CB C 26 34.500 34.500 33.175 1.325 18679 1567 1 5 . 1 1 26 26 VAL H H 26 9.365 9.365 8.957 0.408 18679 1568 1 5 . 1 1 27 27 PHE N N 27 130.752 130.752 129.834 0.918 18679 1569 1 5 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.722 -1.192 18679 1570 1 5 . 1 1 27 27 PHE C C 27 172.517 172.517 173.484 -0.967 18679 1571 1 5 . 1 1 27 27 PHE CA C 27 58.978 58.978 57.304 1.674 18679 1572 1 5 . 1 1 27 27 PHE CB C 27 39.934 39.934 41.133 -1.199 18679 1573 1 5 . 1 1 27 27 PHE H H 27 8.335 8.335 8.854 -0.519 18679 1574 1 5 . 1 1 28 28 VAL N N 28 124.530 124.530 126.335 -1.805 18679 1575 1 5 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.293 0.100 18679 1576 1 5 . 1 1 28 28 VAL C C 28 170.556 170.556 173.201 -2.645 18679 1577 1 5 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.092 -1.386 18679 1578 1 5 . 1 1 28 28 VAL CB C 28 34.597 34.597 35.705 -1.108 18679 1579 1 5 . 1 1 28 28 VAL H H 28 7.411 7.411 8.067 -0.656 18679 1580 1 5 . 1 1 29 29 HIS N N 29 127.448 127.448 127.446 0.002 18679 1581 1 5 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.106 -0.547 18679 1582 1 5 . 1 1 29 29 HIS C C 29 177.582 177.582 176.689 0.893 18679 1583 1 5 . 1 1 29 29 HIS CA C 29 55.739 55.739 54.318 1.421 18679 1584 1 5 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.801 0.741 18679 1585 1 5 . 1 1 29 29 HIS H H 29 8.561 8.561 8.417 0.144 18679 1586 1 5 . 1 1 30 30 PHE N N 30 122.691 122.691 125.510 -2.819 18679 1587 1 5 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.397 -0.535 18679 1588 1 5 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.114 -0.124 18679 1589 1 5 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.765 -2.285 18679 1590 1 5 . 1 1 30 30 PHE H H 30 7.970 7.970 8.529 -0.559 18679 1591 1 5 . 1 1 31 31 SER N N 31 118.356 118.356 113.320 5.036 18679 1592 1 5 . 1 1 31 31 SER HA H 31 3.858 3.858 4.061 -0.203 18679 1593 1 5 . 1 1 31 31 SER C C 31 175.382 175.382 174.875 0.507 18679 1594 1 5 . 1 1 31 31 SER CA C 31 59.761 59.761 58.621 1.140 18679 1595 1 5 . 1 1 31 31 SER CB C 31 62.630 62.630 62.702 -0.072 18679 1596 1 5 . 1 1 31 31 SER H H 31 7.623 7.623 8.076 -0.453 18679 1597 1 5 . 1 1 32 32 ALA N N 32 124.536 124.536 123.338 1.198 18679 1598 1 5 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.476 -0.071 18679 1599 1 5 . 1 1 32 32 ALA C C 32 177.706 177.706 177.115 0.591 18679 1600 1 5 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.441 -0.057 18679 1601 1 5 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.407 0.766 18679 1602 1 5 . 1 1 32 32 ALA H H 32 7.902 7.902 7.909 -0.007 18679 1603 1 5 . 1 1 33 33 ILE N N 33 121.051 121.051 119.365 1.686 18679 1604 1 5 . 1 1 33 33 ILE HA H 33 3.841 3.841 4.017 -0.176 18679 1605 1 5 . 1 1 33 33 ILE C C 33 175.517 175.517 175.422 0.095 18679 1606 1 5 . 1 1 33 33 ILE CA C 33 62.252 62.252 59.536 2.716 18679 1607 1 5 . 1 1 33 33 ILE CB C 33 37.984 37.984 40.048 -2.064 18679 1608 1 5 . 1 1 33 33 ILE H H 33 7.595 7.595 7.719 -0.124 18679 1609 1 5 . 1 1 34 34 GLN N N 34 126.803 126.803 124.028 2.775 18679 1610 1 5 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.317 -0.062 18679 1611 1 5 . 1 1 34 34 GLN C C 34 176.167 176.167 175.323 0.844 18679 1612 1 5 . 1 1 34 34 GLN CA C 34 55.872 55.872 55.133 0.739 18679 1613 1 5 . 1 1 34 34 GLN CB C 34 29.510 29.510 25.974 3.536 18679 1614 1 5 . 1 1 34 34 GLN H H 34 8.714 8.714 8.641 0.073 18679 1615 1 5 . 1 1 35 35 GLY N N 35 110.928 110.928 111.588 -0.660 18679 1616 1 5 . 1 1 35 35 GLY C C 35 172.763 172.763 173.443 -0.680 18679 1617 1 5 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.661 0.177 18679 1618 1 5 . 1 1 35 35 GLY H H 35 8.411 8.411 8.632 -0.221 18679 1619 1 5 . 1 1 36 36 ASP N N 36 119.994 119.994 124.601 -4.607 18679 1620 1 5 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.433 0.366 18679 1621 1 5 . 1 1 36 36 ASP C C 36 176.584 176.584 177.181 -0.597 18679 1622 1 5 . 1 1 36 36 ASP CA C 36 53.957 53.957 54.123 -0.166 18679 1623 1 5 . 1 1 36 36 ASP CB C 36 42.297 42.297 40.391 1.906 18679 1624 1 5 . 1 1 36 36 ASP H H 36 8.319 8.319 7.842 0.477 18679 1625 1 5 . 1 1 37 37 GLY N N 37 108.688 108.688 114.671 -5.983 18679 1626 1 5 . 1 1 37 37 GLY C C 37 176.528 176.528 173.822 2.706 18679 1627 1 5 . 1 1 37 37 GLY CA C 37 44.676 44.676 46.011 -1.335 18679 1628 1 5 . 1 1 37 37 GLY H H 37 8.390 8.390 8.370 0.020 18679 1629 1 5 . 1 1 38 38 PHE N N 38 122.793 122.793 121.987 0.806 18679 1630 1 5 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.695 0.072 18679 1631 1 5 . 1 1 38 38 PHE C C 38 175.402 175.402 174.245 1.157 18679 1632 1 5 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.830 2.162 18679 1633 1 5 . 1 1 38 38 PHE CB C 38 39.043 39.043 40.896 -1.853 18679 1634 1 5 . 1 1 38 38 PHE H H 38 8.423 8.423 8.030 0.393 18679 1635 1 5 . 1 1 39 39 LYS N N 39 123.349 123.349 124.654 -1.305 18679 1636 1 5 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.625 -0.292 18679 1637 1 5 . 1 1 39 39 LYS C C 39 169.990 169.990 175.729 -5.739 18679 1638 1 5 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.812 -0.334 18679 1639 1 5 . 1 1 39 39 LYS CB C 39 32.335 32.335 34.043 -1.708 18679 1640 1 5 . 1 1 39 39 LYS H H 39 8.592 8.592 8.200 0.392 18679 1641 1 5 . 1 1 40 40 SER N N 40 113.941 113.941 120.146 -6.205 18679 1642 1 5 . 1 1 40 40 SER HA H 40 3.673 3.673 4.645 -0.972 18679 1643 1 5 . 1 1 40 40 SER CA C 40 57.015 57.015 57.662 -0.647 18679 1644 1 5 . 1 1 40 40 SER CB C 40 64.589 64.589 63.849 0.740 18679 1645 1 5 . 1 1 40 40 SER H H 40 7.444 7.444 8.566 -1.122 18679 1646 1 5 . 1 1 41 41 LEU N N 41 117.107 117.107 126.430 -9.323 18679 1647 1 5 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.309 0.085 18679 1648 1 5 . 1 1 41 41 LEU C C 41 173.917 173.917 176.581 -2.664 18679 1649 1 5 . 1 1 41 41 LEU CA C 41 52.414 52.414 54.599 -2.184 18679 1650 1 5 . 1 1 41 41 LEU CB C 41 46.815 46.815 42.500 4.315 18679 1651 1 5 . 1 1 41 41 LEU H H 41 5.598 5.598 8.325 -2.727 18679 1652 1 5 . 1 1 42 42 ASP N N 42 118.896 118.896 123.206 -4.310 18679 1653 1 5 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.639 0.255 18679 1654 1 5 . 1 1 42 42 ASP C C 42 175.559 175.559 176.057 -0.498 18679 1655 1 5 . 1 1 42 42 ASP CA C 42 52.777 52.777 53.704 -0.927 18679 1656 1 5 . 1 1 42 42 ASP CB C 42 42.970 42.970 42.963 0.007 18679 1657 1 5 . 1 1 42 42 ASP H H 42 8.156 8.156 8.507 -0.351 18679 1658 1 5 . 1 1 43 43 GLU N N 43 121.023 121.023 124.792 -3.769 18679 1659 1 5 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.186 -0.668 18679 1660 1 5 . 1 1 43 43 GLU C C 43 177.211 177.211 176.814 0.397 18679 1661 1 5 . 1 1 43 43 GLU CA C 43 58.444 58.444 58.068 0.376 18679 1662 1 5 . 1 1 43 43 GLU CB C 43 29.531 29.531 28.428 1.103 18679 1663 1 5 . 1 1 43 43 GLU H H 43 8.689 8.689 8.809 -0.120 18679 1664 1 5 . 1 1 44 44 GLY N N 44 113.916 113.916 113.513 0.403 18679 1665 1 5 . 1 1 44 44 GLY C C 44 173.870 173.870 173.660 0.210 18679 1666 1 5 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.695 0.499 18679 1667 1 5 . 1 1 44 44 GLY H H 44 8.971 8.971 8.917 0.054 18679 1668 1 5 . 1 1 45 45 GLN N N 45 120.533 120.533 121.737 -1.204 18679 1669 1 5 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.354 -0.177 18679 1670 1 5 . 1 1 45 45 GLN C C 45 175.454 175.454 174.398 1.056 18679 1671 1 5 . 1 1 45 45 GLN CA C 45 56.105 56.105 55.419 0.686 18679 1672 1 5 . 1 1 45 45 GLN CB C 45 30.398 30.398 30.028 0.370 18679 1673 1 5 . 1 1 45 45 GLN H H 45 7.634 7.634 8.264 -0.630 18679 1674 1 5 . 1 1 46 46 ALA N N 46 130.118 130.118 130.048 0.070 18679 1675 1 5 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.053 -0.120 18679 1676 1 5 . 1 1 46 46 ALA C C 46 178.148 178.148 176.407 1.741 18679 1677 1 5 . 1 1 46 46 ALA CA C 46 52.206 52.206 50.874 1.332 18679 1678 1 5 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.887 -0.905 18679 1679 1 5 . 1 1 46 46 ALA H H 46 8.894 8.894 8.680 0.214 18679 1680 1 5 . 1 1 47 47 VAL N N 47 114.581 114.581 117.653 -3.072 18679 1681 1 5 . 1 1 47 47 VAL HA H 47 5.408 5.408 5.180 0.228 18679 1682 1 5 . 1 1 47 47 VAL C C 47 175.654 175.654 174.505 1.149 18679 1683 1 5 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.056 -0.183 18679 1684 1 5 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.504 1.625 18679 1685 1 5 . 1 1 47 47 VAL H H 47 8.591 8.591 9.010 -0.419 18679 1686 1 5 . 1 1 48 48 THR N N 48 113.346 113.346 113.440 -0.094 18679 1687 1 5 . 1 1 48 48 THR HA H 48 5.398 5.398 5.165 0.233 18679 1688 1 5 . 1 1 48 48 THR C C 48 177.527 177.527 174.398 3.129 18679 1689 1 5 . 1 1 48 48 THR CA C 48 60.253 60.253 60.165 0.088 18679 1690 1 5 . 1 1 48 48 THR CB C 48 71.323 71.323 69.378 1.945 18679 1691 1 5 . 1 1 48 48 THR H H 48 8.943 8.943 8.818 0.125 18679 1692 1 5 . 1 1 49 49 PHE N N 49 116.531 116.531 122.228 -5.697 18679 1693 1 5 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.556 -0.553 18679 1694 1 5 . 1 1 49 49 PHE C C 49 171.900 171.900 173.151 -1.251 18679 1695 1 5 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.821 1.768 18679 1696 1 5 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.292 -2.551 18679 1697 1 5 . 1 1 49 49 PHE H H 49 8.214 8.214 7.909 0.305 18679 1698 1 5 . 1 1 50 50 ASP N N 50 118.134 118.134 118.373 -0.239 18679 1699 1 5 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.118 0.049 18679 1700 1 5 . 1 1 50 50 ASP C C 50 175.559 175.559 175.381 0.178 18679 1701 1 5 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.135 1.836 18679 1702 1 5 . 1 1 50 50 ASP CB C 50 43.986 43.986 44.608 -0.622 18679 1703 1 5 . 1 1 50 50 ASP H H 50 8.862 8.862 8.242 0.620 18679 1704 1 5 . 1 1 51 51 VAL N N 51 120.815 120.815 123.182 -2.367 18679 1705 1 5 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.524 0.246 18679 1706 1 5 . 1 1 51 51 VAL C C 51 175.378 175.378 175.378 0.000 18679 1707 1 5 . 1 1 51 51 VAL CA C 51 62.046 62.046 61.368 0.678 18679 1708 1 5 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.168 1.686 18679 1709 1 5 . 1 1 51 51 VAL H H 51 8.700 8.700 8.589 0.111 18679 1710 1 5 . 1 1 52 52 GLU N N 52 127.575 127.575 129.189 -1.614 18679 1711 1 5 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.377 0.403 18679 1712 1 5 . 1 1 52 52 GLU C C 52 175.436 175.436 175.865 -0.429 18679 1713 1 5 . 1 1 52 52 GLU CA C 52 54.133 54.133 55.240 -1.107 18679 1714 1 5 . 1 1 52 52 GLU CB C 52 32.295 32.295 29.855 2.441 18679 1715 1 5 . 1 1 52 52 GLU H H 52 9.062 9.062 9.218 -0.156 18679 1716 1 5 . 1 1 53 53 GLU N N 53 124.119 124.119 126.650 -2.531 18679 1717 1 5 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.770 -0.510 18679 1718 1 5 . 1 1 53 53 GLU C C 53 176.436 176.436 175.992 0.444 18679 1719 1 5 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.788 0.629 18679 1720 1 5 . 1 1 53 53 GLU CB C 53 29.392 29.392 28.832 0.560 18679 1721 1 5 . 1 1 53 53 GLU H H 53 8.808 8.808 8.230 0.578 18679 1722 1 5 . 1 1 54 54 GLY N N 54 113.794 113.794 111.902 1.892 18679 1723 1 5 . 1 1 54 54 GLY C C 54 175.559 175.559 173.221 2.338 18679 1724 1 5 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.702 -0.175 18679 1725 1 5 . 1 1 54 54 GLY H H 54 7.822 7.822 7.890 -0.068 18679 1726 1 5 . 1 1 55 55 GLN N N 55 121.059 121.059 121.279 -0.220 18679 1727 1 5 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.401 0.356 18679 1728 1 5 . 1 1 55 55 GLN C C 55 177.419 177.419 175.323 2.096 18679 1729 1 5 . 1 1 55 55 GLN CA C 55 58.624 58.624 55.940 2.684 18679 1730 1 5 . 1 1 55 55 GLN CB C 55 29.233 29.233 27.657 1.576 18679 1731 1 5 . 1 1 55 55 GLN H H 55 8.685 8.685 8.142 0.543 18679 1732 1 5 . 1 1 56 56 ARG N N 56 116.444 116.444 122.205 -5.761 18679 1733 1 5 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.325 0.101 18679 1734 1 5 . 1 1 56 56 ARG C C 56 175.110 175.110 175.450 -0.340 18679 1735 1 5 . 1 1 56 56 ARG CA C 56 54.836 54.836 56.501 -1.665 18679 1736 1 5 . 1 1 56 56 ARG CB C 56 30.092 30.092 30.990 -0.898 18679 1737 1 5 . 1 1 56 56 ARG H H 56 8.491 8.491 8.540 -0.049 18679 1738 1 5 . 1 1 57 57 GLY N N 57 107.667 107.667 108.140 -0.473 18679 1739 1 5 . 1 1 57 57 GLY CA C 57 44.201 44.201 45.414 -1.213 18679 1740 1 5 . 1 1 57 57 GLY H H 57 7.316 7.316 7.863 -0.547 18679 1741 1 5 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.676 0.134 18679 1742 1 5 . 1 1 58 58 PRO C C 58 176.345 176.345 174.847 1.498 18679 1743 1 5 . 1 1 58 58 PRO CA C 58 63.118 63.118 63.106 0.012 18679 1744 1 5 . 1 1 58 58 PRO CB C 58 32.517 32.517 30.671 1.847 18679 1745 1 5 . 1 1 59 59 GLN N N 59 121.136 121.136 125.030 -3.894 18679 1746 1 5 . 1 1 59 59 GLN HA H 59 5.160 5.160 4.970 0.190 18679 1747 1 5 . 1 1 59 59 GLN C C 59 173.910 173.910 175.075 -1.165 18679 1748 1 5 . 1 1 59 59 GLN CA C 59 54.284 54.284 54.403 -0.119 18679 1749 1 5 . 1 1 59 59 GLN CB C 59 32.688 32.688 31.628 1.060 18679 1750 1 5 . 1 1 59 59 GLN H H 59 9.086 9.086 8.291 0.795 18679 1751 1 5 . 1 1 60 60 ALA N N 60 123.241 123.241 128.272 -5.031 18679 1752 1 5 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.649 0.229 18679 1753 1 5 . 1 1 60 60 ALA C C 60 176.210 176.210 175.624 0.586 18679 1754 1 5 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.764 -0.548 18679 1755 1 5 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.194 1.077 18679 1756 1 5 . 1 1 60 60 ALA H H 60 8.796 8.796 8.804 -0.008 18679 1757 1 5 . 1 1 61 61 ALA N N 61 123.741 123.741 125.596 -1.855 18679 1758 1 5 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.679 -0.009 18679 1759 1 5 . 1 1 61 61 ALA C C 61 175.840 175.840 175.756 0.084 18679 1760 1 5 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.413 0.455 18679 1761 1 5 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.510 0.553 18679 1762 1 5 . 1 1 61 61 ALA H H 61 9.165 9.165 8.557 0.608 18679 1763 1 5 . 1 1 62 62 ASN N N 62 118.727 118.727 118.371 0.356 18679 1764 1 5 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.411 -0.161 18679 1765 1 5 . 1 1 62 62 ASN C C 62 178.093 178.093 173.548 4.545 18679 1766 1 5 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.212 -0.245 18679 1767 1 5 . 1 1 62 62 ASN CB C 62 37.229 37.229 37.622 -0.393 18679 1768 1 5 . 1 1 62 62 ASN H H 62 9.288 9.288 8.680 0.608 18679 1769 1 5 . 1 1 63 63 VAL N N 63 116.869 116.869 119.780 -2.911 18679 1770 1 5 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.572 -0.189 18679 1771 1 5 . 1 1 63 63 VAL C C 63 175.378 175.378 175.251 0.127 18679 1772 1 5 . 1 1 63 63 VAL CA C 63 63.116 63.116 60.702 2.414 18679 1773 1 5 . 1 1 63 63 VAL CB C 63 31.509 31.509 32.550 -1.041 18679 1774 1 5 . 1 1 63 63 VAL H H 63 8.129 8.129 8.413 -0.284 18679 1775 1 5 . 1 1 64 64 GLN N N 64 127.534 127.534 126.826 0.708 18679 1776 1 5 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.733 0.044 18679 1777 1 5 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.348 0.785 18679 1778 1 5 . 1 1 64 64 GLN CB C 64 32.174 32.174 33.397 -1.223 18679 1779 1 5 . 1 1 64 64 GLN H H 64 9.104 9.104 9.124 -0.020 18679 1780 1 5 . 1 1 65 65 LYS N N 65 122.593 122.593 124.176 -1.583 18679 1781 1 5 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.121 0.174 18679 1782 1 5 . 1 1 65 65 LYS C C 65 175.520 175.520 176.455 -0.935 18679 1783 1 5 . 1 1 65 65 LYS CA C 65 57.760 57.760 57.250 0.510 18679 1784 1 5 . 1 1 65 65 LYS CB C 65 32.714 32.714 32.879 -0.165 18679 1785 1 5 . 1 1 65 65 LYS H H 65 8.637 8.637 8.616 0.021 18679 1786 1 6 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.080 0.846 18679 1787 1 6 . 1 1 2 2 GLU C C 2 173.979 173.979 174.917 -0.938 18679 1788 1 6 . 1 1 2 2 GLU CB C 2 26.849 26.849 29.726 -2.877 18679 1789 1 6 . 1 1 3 3 GLN N N 3 116.901 116.901 121.363 -4.462 18679 1790 1 6 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.769 0.381 18679 1791 1 6 . 1 1 3 3 GLN C C 3 175.962 175.962 175.508 0.454 18679 1792 1 6 . 1 1 3 3 GLN CA C 3 54.124 54.124 55.132 -1.008 18679 1793 1 6 . 1 1 3 3 GLN CB C 3 31.938 31.938 29.548 2.390 18679 1794 1 6 . 1 1 3 3 GLN H H 3 8.202 8.202 7.776 0.426 18679 1795 1 6 . 1 1 4 4 GLY N N 4 108.174 108.174 114.460 -6.286 18679 1796 1 6 . 1 1 4 4 GLY C C 4 172.109 172.109 172.494 -0.385 18679 1797 1 6 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.298 1.315 18679 1798 1 6 . 1 1 4 4 GLY H H 4 8.629 8.629 8.970 -0.341 18679 1799 1 6 . 1 1 5 5 THR N N 5 114.528 114.528 119.090 -4.562 18679 1800 1 6 . 1 1 5 5 THR HA H 5 5.210 5.210 4.931 0.279 18679 1801 1 6 . 1 1 5 5 THR C C 5 173.994 173.994 174.805 -0.811 18679 1802 1 6 . 1 1 5 5 THR CA C 5 60.077 60.077 61.863 -1.786 18679 1803 1 6 . 1 1 5 5 THR CB C 5 71.635 71.635 69.925 1.710 18679 1804 1 6 . 1 1 5 5 THR H H 5 8.417 8.417 8.334 0.083 18679 1805 1 6 . 1 1 6 6 VAL N N 6 125.816 125.816 127.817 -2.001 18679 1806 1 6 . 1 1 6 6 VAL HA H 6 3.521 3.521 4.087 -0.566 18679 1807 1 6 . 1 1 6 6 VAL C C 6 175.620 175.620 176.212 -0.592 18679 1808 1 6 . 1 1 6 6 VAL CA C 6 65.068 65.068 62.738 2.330 18679 1809 1 6 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.829 0.803 18679 1810 1 6 . 1 1 6 6 VAL H H 6 8.908 8.908 9.033 -0.125 18679 1811 1 6 . 1 1 7 7 LYS N N 7 135.919 135.919 128.392 7.527 18679 1812 1 6 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.048 0.166 18679 1813 1 6 . 1 1 7 7 LYS C C 7 175.913 175.913 176.338 -0.425 18679 1814 1 6 . 1 1 7 7 LYS CA C 7 58.754 58.754 60.135 -1.381 18679 1815 1 6 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.448 1.644 18679 1816 1 6 . 1 1 7 7 LYS H H 7 9.260 9.260 8.946 0.314 18679 1817 1 6 . 1 1 8 8 TRP N N 8 110.597 110.597 115.107 -4.510 18679 1818 1 6 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.819 -0.252 18679 1819 1 6 . 1 1 8 8 TRP C C 8 173.327 173.327 174.243 -0.916 18679 1820 1 6 . 1 1 8 8 TRP CA C 8 55.871 55.871 56.632 -0.761 18679 1821 1 6 . 1 1 8 8 TRP CB C 8 30.675 30.675 33.778 -3.103 18679 1822 1 6 . 1 1 8 8 TRP H H 8 7.372 7.372 7.590 -0.218 18679 1823 1 6 . 1 1 9 9 PHE N N 9 120.373 120.373 118.341 2.032 18679 1824 1 6 . 1 1 9 9 PHE HA H 9 4.180 4.180 5.155 -0.975 18679 1825 1 6 . 1 1 9 9 PHE C C 9 172.561 172.561 174.399 -1.838 18679 1826 1 6 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.115 2.995 18679 1827 1 6 . 1 1 9 9 PHE CB C 9 42.287 42.287 39.448 2.839 18679 1828 1 6 . 1 1 9 9 PHE H H 9 9.265 9.265 8.454 0.811 18679 1829 1 6 . 1 1 10 10 ASN N N 10 127.710 127.710 125.540 2.170 18679 1830 1 6 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.767 0.166 18679 1831 1 6 . 1 1 10 10 ASN C C 10 174.373 174.373 175.492 -1.119 18679 1832 1 6 . 1 1 10 10 ASN CA C 10 51.898 51.898 51.701 0.197 18679 1833 1 6 . 1 1 10 10 ASN CB C 10 38.909 38.909 36.070 2.839 18679 1834 1 6 . 1 1 10 10 ASN H H 10 8.223 8.223 8.705 -0.482 18679 1835 1 6 . 1 1 11 11 ALA N N 11 129.186 129.186 125.269 3.917 18679 1836 1 6 . 1 1 11 11 ALA HA H 11 4.303 4.303 4.389 -0.086 18679 1837 1 6 . 1 1 11 11 ALA C C 11 176.087 176.087 178.376 -2.289 18679 1838 1 6 . 1 1 11 11 ALA CA C 11 53.809 53.809 55.056 -1.248 18679 1839 1 6 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.999 -0.298 18679 1840 1 6 . 1 1 11 11 ALA H H 11 9.119 9.119 7.789 1.330 18679 1841 1 6 . 1 1 12 12 GLU N N 12 116.366 116.366 116.224 0.142 18679 1842 1 6 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.205 -0.182 18679 1843 1 6 . 1 1 12 12 GLU C C 12 175.119 175.119 177.359 -2.240 18679 1844 1 6 . 1 1 12 12 GLU CA C 12 58.448 58.448 57.970 0.478 18679 1845 1 6 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.154 0.003 18679 1846 1 6 . 1 1 12 12 GLU H H 12 8.082 8.082 8.474 -0.392 18679 1847 1 6 . 1 1 13 13 LYS N N 13 113.821 113.821 116.790 -2.969 18679 1848 1 6 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.446 -0.134 18679 1849 1 6 . 1 1 13 13 LYS C C 13 177.130 177.130 177.260 -0.130 18679 1850 1 6 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.443 1.369 18679 1851 1 6 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.562 1.052 18679 1852 1 6 . 1 1 13 13 LYS H H 13 7.273 7.273 7.598 -0.325 18679 1853 1 6 . 1 1 14 14 GLY N N 14 105.929 105.929 107.298 -1.369 18679 1854 1 6 . 1 1 14 14 GLY C C 14 172.485 172.485 173.031 -0.546 18679 1855 1 6 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.400 1.354 18679 1856 1 6 . 1 1 14 14 GLY H H 14 8.370 8.370 8.517 -0.147 18679 1857 1 6 . 1 1 15 15 PHE N N 15 112.060 112.060 115.366 -3.306 18679 1858 1 6 . 1 1 15 15 PHE HA H 15 4.814 4.814 4.515 0.299 18679 1859 1 6 . 1 1 15 15 PHE C C 15 171.414 171.414 172.366 -0.952 18679 1860 1 6 . 1 1 15 15 PHE CA C 15 53.720 53.720 54.715 -0.995 18679 1861 1 6 . 1 1 15 15 PHE CB C 15 42.723 42.723 39.744 2.979 18679 1862 1 6 . 1 1 15 15 PHE H H 15 6.572 6.572 7.171 -0.599 18679 1863 1 6 . 1 1 16 16 GLY N N 16 105.419 105.419 105.184 0.235 18679 1864 1 6 . 1 1 16 16 GLY C C 16 173.812 173.812 171.515 2.297 18679 1865 1 6 . 1 1 16 16 GLY CA C 16 44.912 44.912 43.708 1.204 18679 1866 1 6 . 1 1 16 16 GLY H H 16 7.851 7.851 8.158 -0.307 18679 1867 1 6 . 1 1 17 17 PHE N N 17 115.154 115.154 118.421 -3.267 18679 1868 1 6 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.258 -0.250 18679 1869 1 6 . 1 1 17 17 PHE C C 17 174.568 174.568 174.967 -0.399 18679 1870 1 6 . 1 1 17 17 PHE CA C 17 56.724 56.724 57.058 -0.334 18679 1871 1 6 . 1 1 17 17 PHE CB C 17 45.189 45.189 41.461 3.728 18679 1872 1 6 . 1 1 17 17 PHE H H 17 7.800 7.800 8.786 -0.986 18679 1873 1 6 . 1 1 18 18 ILE N N 18 122.756 122.756 122.540 0.216 18679 1874 1 6 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.850 -0.789 18679 1875 1 6 . 1 1 18 18 ILE C C 18 174.459 174.459 175.547 -1.088 18679 1876 1 6 . 1 1 18 18 ILE CA C 18 60.156 60.156 59.983 0.173 18679 1877 1 6 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.695 0.684 18679 1878 1 6 . 1 1 18 18 ILE H H 18 9.337 9.337 8.772 0.565 18679 1879 1 6 . 1 1 19 19 GLU N N 19 126.777 126.777 121.540 5.237 18679 1880 1 6 . 1 1 19 19 GLU HA H 19 4.915 4.915 5.112 -0.197 18679 1881 1 6 . 1 1 19 19 GLU C C 19 175.169 175.169 175.140 0.029 18679 1882 1 6 . 1 1 19 19 GLU CA C 19 54.980 54.980 54.562 0.417 18679 1883 1 6 . 1 1 19 19 GLU CB C 19 32.204 32.204 32.916 -0.712 18679 1884 1 6 . 1 1 19 19 GLU H H 19 9.294 9.294 8.619 0.675 18679 1885 1 6 . 1 1 20 20 ARG N N 20 123.573 123.573 119.778 3.795 18679 1886 1 6 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.723 -0.703 18679 1887 1 6 . 1 1 20 20 ARG C C 20 176.345 176.345 177.505 -1.160 18679 1888 1 6 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.626 0.780 18679 1889 1 6 . 1 1 20 20 ARG CB C 20 33.630 33.630 33.025 0.605 18679 1890 1 6 . 1 1 20 20 ARG H H 20 9.290 9.290 8.622 0.668 18679 1891 1 6 . 1 1 21 21 GLU N N 21 121.542 121.542 121.611 -0.069 18679 1892 1 6 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.131 -0.031 18679 1893 1 6 . 1 1 21 21 GLU C C 21 177.265 177.265 176.710 0.555 18679 1894 1 6 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.126 -0.331 18679 1895 1 6 . 1 1 21 21 GLU CB C 21 29.908 29.908 28.920 0.988 18679 1896 1 6 . 1 1 21 21 GLU H H 21 9.066 9.066 8.890 0.176 18679 1897 1 6 . 1 1 22 22 ASN N N 22 115.336 115.336 116.573 -1.237 18679 1898 1 6 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.770 -0.022 18679 1899 1 6 . 1 1 22 22 ASN C C 22 174.806 174.806 175.260 -0.454 18679 1900 1 6 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.571 0.558 18679 1901 1 6 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.373 0.647 18679 1902 1 6 . 1 1 22 22 ASN H H 22 8.257 8.257 8.173 0.084 18679 1903 1 6 . 1 1 23 23 GLY N N 23 107.564 107.564 108.378 -0.814 18679 1904 1 6 . 1 1 23 23 GLY C C 23 172.948 172.948 173.948 -1.000 18679 1905 1 6 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.577 -0.881 18679 1906 1 6 . 1 1 23 23 GLY H H 23 7.866 7.866 7.779 0.087 18679 1907 1 6 . 1 1 24 24 ASP N N 24 120.038 120.038 120.863 -0.825 18679 1908 1 6 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.549 0.079 18679 1909 1 6 . 1 1 24 24 ASP C C 24 175.559 175.559 175.931 -0.372 18679 1910 1 6 . 1 1 24 24 ASP CA C 24 54.453 54.453 54.035 0.418 18679 1911 1 6 . 1 1 24 24 ASP CB C 24 41.544 41.544 41.169 0.375 18679 1912 1 6 . 1 1 24 24 ASP H H 24 8.370 8.370 8.206 0.164 18679 1913 1 6 . 1 1 25 25 ASP N N 25 120.666 120.666 126.488 -5.822 18679 1914 1 6 . 1 1 25 25 ASP HA H 25 4.921 4.921 5.067 -0.146 18679 1915 1 6 . 1 1 25 25 ASP C C 25 176.258 176.258 176.436 -0.178 18679 1916 1 6 . 1 1 25 25 ASP CA C 25 54.973 54.973 55.816 -0.843 18679 1917 1 6 . 1 1 25 25 ASP CB C 25 42.488 42.488 41.395 1.093 18679 1918 1 6 . 1 1 25 25 ASP H H 25 8.698 8.698 8.047 0.651 18679 1919 1 6 . 1 1 26 26 VAL N N 26 120.541 120.541 123.518 -2.977 18679 1920 1 6 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.172 0.174 18679 1921 1 6 . 1 1 26 26 VAL C C 26 174.724 174.724 175.282 -0.558 18679 1922 1 6 . 1 1 26 26 VAL CA C 26 60.847 60.847 61.422 -0.575 18679 1923 1 6 . 1 1 26 26 VAL CB C 26 34.500 34.500 33.040 1.460 18679 1924 1 6 . 1 1 26 26 VAL H H 26 9.365 9.365 8.821 0.544 18679 1925 1 6 . 1 1 27 27 PHE N N 27 130.752 130.752 129.475 1.277 18679 1926 1 6 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.451 -0.921 18679 1927 1 6 . 1 1 27 27 PHE C C 27 172.517 172.517 174.016 -1.499 18679 1928 1 6 . 1 1 27 27 PHE CA C 27 58.978 58.978 57.123 1.855 18679 1929 1 6 . 1 1 27 27 PHE CB C 27 39.934 39.934 39.547 0.387 18679 1930 1 6 . 1 1 27 27 PHE H H 27 8.335 8.335 9.017 -0.682 18679 1931 1 6 . 1 1 28 28 VAL N N 28 124.530 124.530 127.599 -3.069 18679 1932 1 6 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.304 0.089 18679 1933 1 6 . 1 1 28 28 VAL C C 28 170.556 170.556 173.716 -3.160 18679 1934 1 6 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.542 -1.836 18679 1935 1 6 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.251 0.346 18679 1936 1 6 . 1 1 28 28 VAL H H 28 7.411 7.411 7.906 -0.495 18679 1937 1 6 . 1 1 29 29 HIS N N 29 127.448 127.448 127.948 -0.500 18679 1938 1 6 . 1 1 29 29 HIS HA H 29 4.559 4.559 4.507 0.052 18679 1939 1 6 . 1 1 29 29 HIS C C 29 177.582 177.582 176.089 1.493 18679 1940 1 6 . 1 1 29 29 HIS CA C 29 55.739 55.739 55.372 0.367 18679 1941 1 6 . 1 1 29 29 HIS CB C 29 33.542 33.542 31.863 1.679 18679 1942 1 6 . 1 1 29 29 HIS H H 29 8.561 8.561 8.101 0.460 18679 1943 1 6 . 1 1 30 30 PHE N N 30 122.691 122.691 123.672 -0.981 18679 1944 1 6 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.319 -0.457 18679 1945 1 6 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.565 -0.575 18679 1946 1 6 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.882 -2.402 18679 1947 1 6 . 1 1 30 30 PHE H H 30 7.970 7.970 7.935 0.035 18679 1948 1 6 . 1 1 31 31 SER N N 31 118.356 118.356 112.363 5.993 18679 1949 1 6 . 1 1 31 31 SER HA H 31 3.858 3.858 4.304 -0.446 18679 1950 1 6 . 1 1 31 31 SER C C 31 175.382 175.382 175.354 0.028 18679 1951 1 6 . 1 1 31 31 SER CA C 31 59.761 59.761 59.631 0.130 18679 1952 1 6 . 1 1 31 31 SER CB C 31 62.630 62.630 63.222 -0.592 18679 1953 1 6 . 1 1 31 31 SER H H 31 7.623 7.623 8.639 -1.016 18679 1954 1 6 . 1 1 32 32 ALA N N 32 124.536 124.536 123.181 1.355 18679 1955 1 6 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.508 -0.103 18679 1956 1 6 . 1 1 32 32 ALA C C 32 177.706 177.706 177.309 0.397 18679 1957 1 6 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.547 -0.163 18679 1958 1 6 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.202 0.971 18679 1959 1 6 . 1 1 32 32 ALA H H 32 7.902 7.902 7.613 0.289 18679 1960 1 6 . 1 1 33 33 ILE N N 33 121.051 121.051 120.024 1.027 18679 1961 1 6 . 1 1 33 33 ILE HA H 33 3.841 3.841 4.081 -0.240 18679 1962 1 6 . 1 1 33 33 ILE C C 33 175.517 175.517 175.288 0.229 18679 1963 1 6 . 1 1 33 33 ILE CA C 33 62.252 62.252 60.791 1.461 18679 1964 1 6 . 1 1 33 33 ILE CB C 33 37.984 37.984 39.004 -1.020 18679 1965 1 6 . 1 1 33 33 ILE H H 33 7.595 7.595 7.509 0.086 18679 1966 1 6 . 1 1 34 34 GLN N N 34 126.803 126.803 125.186 1.617 18679 1967 1 6 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.356 -0.101 18679 1968 1 6 . 1 1 34 34 GLN C C 34 176.167 176.167 176.146 0.021 18679 1969 1 6 . 1 1 34 34 GLN CA C 34 55.872 55.872 55.779 0.093 18679 1970 1 6 . 1 1 34 34 GLN CB C 34 29.510 29.510 27.219 2.291 18679 1971 1 6 . 1 1 34 34 GLN H H 34 8.714 8.714 8.888 -0.174 18679 1972 1 6 . 1 1 35 35 GLY N N 35 110.928 110.928 114.895 -3.967 18679 1973 1 6 . 1 1 35 35 GLY C C 35 172.763 172.763 173.854 -1.091 18679 1974 1 6 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.322 0.516 18679 1975 1 6 . 1 1 35 35 GLY H H 35 8.411 8.411 8.415 -0.004 18679 1976 1 6 . 1 1 36 36 ASP N N 36 119.994 119.994 122.907 -2.913 18679 1977 1 6 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.382 0.417 18679 1978 1 6 . 1 1 36 36 ASP C C 36 176.584 176.584 177.795 -1.211 18679 1979 1 6 . 1 1 36 36 ASP CA C 36 53.957 53.957 56.295 -2.338 18679 1980 1 6 . 1 1 36 36 ASP CB C 36 42.297 42.297 40.443 1.854 18679 1981 1 6 . 1 1 36 36 ASP H H 36 8.319 8.319 8.022 0.297 18679 1982 1 6 . 1 1 37 37 GLY N N 37 108.688 108.688 106.369 2.319 18679 1983 1 6 . 1 1 37 37 GLY C C 37 176.528 176.528 173.901 2.627 18679 1984 1 6 . 1 1 37 37 GLY CA C 37 44.676 44.676 44.525 0.151 18679 1985 1 6 . 1 1 37 37 GLY H H 37 8.390 8.390 8.595 -0.205 18679 1986 1 6 . 1 1 38 38 PHE N N 38 122.793 122.793 119.379 3.414 18679 1987 1 6 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.646 0.121 18679 1988 1 6 . 1 1 38 38 PHE C C 38 175.402 175.402 175.291 0.111 18679 1989 1 6 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.189 2.803 18679 1990 1 6 . 1 1 38 38 PHE CB C 38 39.043 39.043 41.805 -2.762 18679 1991 1 6 . 1 1 38 38 PHE H H 38 8.423 8.423 7.618 0.805 18679 1992 1 6 . 1 1 39 39 LYS N N 39 123.349 123.349 123.609 -0.260 18679 1993 1 6 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.301 0.032 18679 1994 1 6 . 1 1 39 39 LYS C C 39 169.990 169.990 175.244 -5.254 18679 1995 1 6 . 1 1 39 39 LYS CA C 39 55.478 55.478 56.142 -0.664 18679 1996 1 6 . 1 1 39 39 LYS CB C 39 32.335 32.335 32.377 -0.042 18679 1997 1 6 . 1 1 39 39 LYS H H 39 8.592 8.592 8.750 -0.158 18679 1998 1 6 . 1 1 40 40 SER N N 40 113.941 113.941 112.052 1.889 18679 1999 1 6 . 1 1 40 40 SER HA H 40 3.673 3.673 4.615 -0.942 18679 2000 1 6 . 1 1 40 40 SER CA C 40 57.015 57.015 57.196 -0.180 18679 2001 1 6 . 1 1 40 40 SER CB C 40 64.589 64.589 65.267 -0.679 18679 2002 1 6 . 1 1 40 40 SER H H 40 7.444 7.444 7.309 0.135 18679 2003 1 6 . 1 1 41 41 LEU N N 41 117.107 117.107 122.780 -5.673 18679 2004 1 6 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.568 -0.174 18679 2005 1 6 . 1 1 41 41 LEU C C 41 173.917 173.917 175.902 -1.985 18679 2006 1 6 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.582 -1.168 18679 2007 1 6 . 1 1 41 41 LEU CB C 41 46.815 46.815 43.284 3.531 18679 2008 1 6 . 1 1 41 41 LEU H H 41 5.598 5.598 8.205 -2.607 18679 2009 1 6 . 1 1 42 42 ASP N N 42 118.896 118.896 119.832 -0.936 18679 2010 1 6 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.571 0.323 18679 2011 1 6 . 1 1 42 42 ASP C C 42 175.559 175.559 175.825 -0.266 18679 2012 1 6 . 1 1 42 42 ASP CA C 42 52.777 52.777 54.309 -1.532 18679 2013 1 6 . 1 1 42 42 ASP CB C 42 42.970 42.970 41.640 1.330 18679 2014 1 6 . 1 1 42 42 ASP H H 42 8.156 8.156 8.239 -0.083 18679 2015 1 6 . 1 1 43 43 GLU N N 43 121.023 121.023 120.858 0.165 18679 2016 1 6 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.273 -0.755 18679 2017 1 6 . 1 1 43 43 GLU C C 43 177.211 177.211 177.342 -0.131 18679 2018 1 6 . 1 1 43 43 GLU CA C 43 58.444 58.444 55.974 2.470 18679 2019 1 6 . 1 1 43 43 GLU CB C 43 29.531 29.531 27.458 2.073 18679 2020 1 6 . 1 1 43 43 GLU H H 43 8.689 8.689 8.659 0.030 18679 2021 1 6 . 1 1 44 44 GLY N N 44 113.916 113.916 113.791 0.125 18679 2022 1 6 . 1 1 44 44 GLY C C 44 173.870 173.870 173.863 0.007 18679 2023 1 6 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.692 0.502 18679 2024 1 6 . 1 1 44 44 GLY H H 44 8.971 8.971 9.052 -0.081 18679 2025 1 6 . 1 1 45 45 GLN N N 45 120.533 120.533 121.144 -0.611 18679 2026 1 6 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.329 -0.152 18679 2027 1 6 . 1 1 45 45 GLN C C 45 175.454 175.454 174.352 1.102 18679 2028 1 6 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.765 1.340 18679 2029 1 6 . 1 1 45 45 GLN CB C 45 30.398 30.398 29.858 0.540 18679 2030 1 6 . 1 1 45 45 GLN H H 45 7.634 7.634 7.636 -0.002 18679 2031 1 6 . 1 1 46 46 ALA N N 46 130.118 130.118 129.721 0.397 18679 2032 1 6 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.353 -0.419 18679 2033 1 6 . 1 1 46 46 ALA C C 46 178.148 178.148 176.282 1.866 18679 2034 1 6 . 1 1 46 46 ALA CA C 46 52.206 52.206 50.772 1.434 18679 2035 1 6 . 1 1 46 46 ALA CB C 46 18.983 18.983 20.195 -1.212 18679 2036 1 6 . 1 1 46 46 ALA H H 46 8.894 8.894 8.507 0.387 18679 2037 1 6 . 1 1 47 47 VAL N N 47 114.581 114.581 119.034 -4.453 18679 2038 1 6 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.622 0.786 18679 2039 1 6 . 1 1 47 47 VAL C C 47 175.654 175.654 174.245 1.409 18679 2040 1 6 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.754 -0.882 18679 2041 1 6 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.395 1.734 18679 2042 1 6 . 1 1 47 47 VAL H H 47 8.591 8.591 8.786 -0.195 18679 2043 1 6 . 1 1 48 48 THR N N 48 113.346 113.346 113.514 -0.168 18679 2044 1 6 . 1 1 48 48 THR HA H 48 5.398 5.398 5.275 0.123 18679 2045 1 6 . 1 1 48 48 THR C C 48 177.527 177.527 174.324 3.203 18679 2046 1 6 . 1 1 48 48 THR CA C 48 60.253 60.253 59.916 0.337 18679 2047 1 6 . 1 1 48 48 THR CB C 48 71.323 71.323 69.588 1.735 18679 2048 1 6 . 1 1 48 48 THR H H 48 8.943 8.943 8.258 0.685 18679 2049 1 6 . 1 1 49 49 PHE N N 49 116.531 116.531 122.023 -5.492 18679 2050 1 6 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.823 -0.820 18679 2051 1 6 . 1 1 49 49 PHE C C 49 171.900 171.900 174.623 -2.723 18679 2052 1 6 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.679 1.909 18679 2053 1 6 . 1 1 49 49 PHE CB C 49 39.741 39.741 41.932 -2.191 18679 2054 1 6 . 1 1 49 49 PHE H H 49 8.214 8.214 7.725 0.489 18679 2055 1 6 . 1 1 50 50 ASP N N 50 118.134 118.134 120.046 -1.912 18679 2056 1 6 . 1 1 50 50 ASP HA H 50 5.167 5.167 4.860 0.307 18679 2057 1 6 . 1 1 50 50 ASP C C 50 175.559 175.559 175.742 -0.183 18679 2058 1 6 . 1 1 50 50 ASP CA C 50 53.971 53.971 53.117 0.855 18679 2059 1 6 . 1 1 50 50 ASP CB C 50 43.986 43.986 43.712 0.274 18679 2060 1 6 . 1 1 50 50 ASP H H 50 8.862 8.862 8.762 0.100 18679 2061 1 6 . 1 1 51 51 VAL N N 51 120.815 120.815 124.434 -3.619 18679 2062 1 6 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.314 0.456 18679 2063 1 6 . 1 1 51 51 VAL C C 51 175.378 175.378 175.006 0.372 18679 2064 1 6 . 1 1 51 51 VAL CA C 51 62.046 62.046 62.402 -0.356 18679 2065 1 6 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.694 1.160 18679 2066 1 6 . 1 1 51 51 VAL H H 51 8.700 8.700 8.590 0.110 18679 2067 1 6 . 1 1 52 52 GLU N N 52 127.575 127.575 130.475 -2.900 18679 2068 1 6 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.742 0.038 18679 2069 1 6 . 1 1 52 52 GLU C C 52 175.436 175.436 174.930 0.506 18679 2070 1 6 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.155 -0.022 18679 2071 1 6 . 1 1 52 52 GLU CB C 52 32.295 32.295 33.411 -1.116 18679 2072 1 6 . 1 1 52 52 GLU H H 52 9.062 9.062 8.988 0.074 18679 2073 1 6 . 1 1 53 53 GLU N N 53 124.119 124.119 120.962 3.157 18679 2074 1 6 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.507 -0.247 18679 2075 1 6 . 1 1 53 53 GLU C C 53 176.436 176.436 175.678 0.758 18679 2076 1 6 . 1 1 53 53 GLU CA C 53 56.417 56.417 54.934 1.483 18679 2077 1 6 . 1 1 53 53 GLU CB C 53 29.392 29.392 33.230 -3.838 18679 2078 1 6 . 1 1 53 53 GLU H H 53 8.808 8.808 8.634 0.174 18679 2079 1 6 . 1 1 54 54 GLY N N 54 113.794 113.794 106.677 7.117 18679 2080 1 6 . 1 1 54 54 GLY C C 54 175.559 175.559 173.889 1.670 18679 2081 1 6 . 1 1 54 54 GLY CA C 54 44.527 44.527 45.225 -0.698 18679 2082 1 6 . 1 1 54 54 GLY H H 54 7.822 7.822 7.812 0.010 18679 2083 1 6 . 1 1 55 55 GLN N N 55 121.059 121.059 119.099 1.960 18679 2084 1 6 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.192 0.565 18679 2085 1 6 . 1 1 55 55 GLN C C 55 177.419 177.419 175.878 1.541 18679 2086 1 6 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.126 1.498 18679 2087 1 6 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.811 0.422 18679 2088 1 6 . 1 1 55 55 GLN H H 55 8.685 8.685 8.638 0.047 18679 2089 1 6 . 1 1 56 56 ARG N N 56 116.444 116.444 118.442 -1.998 18679 2090 1 6 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.507 -0.081 18679 2091 1 6 . 1 1 56 56 ARG C C 56 175.110 175.110 175.211 -0.101 18679 2092 1 6 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.674 -0.838 18679 2093 1 6 . 1 1 56 56 ARG CB C 56 30.092 30.092 31.390 -1.298 18679 2094 1 6 . 1 1 56 56 ARG H H 56 8.491 8.491 8.087 0.404 18679 2095 1 6 . 1 1 57 57 GLY N N 57 107.667 107.667 109.475 -1.808 18679 2096 1 6 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.505 -0.304 18679 2097 1 6 . 1 1 57 57 GLY H H 57 7.316 7.316 7.638 -0.322 18679 2098 1 6 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.640 0.170 18679 2099 1 6 . 1 1 58 58 PRO C C 58 176.345 176.345 175.639 0.706 18679 2100 1 6 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.577 0.541 18679 2101 1 6 . 1 1 58 58 PRO CB C 58 32.517 32.517 32.903 -0.386 18679 2102 1 6 . 1 1 59 59 GLN N N 59 121.136 121.136 120.224 0.912 18679 2103 1 6 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.121 0.039 18679 2104 1 6 . 1 1 59 59 GLN C C 59 173.910 173.910 174.691 -0.781 18679 2105 1 6 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.974 0.310 18679 2106 1 6 . 1 1 59 59 GLN CB C 59 32.688 32.688 33.904 -1.216 18679 2107 1 6 . 1 1 59 59 GLN H H 59 9.086 9.086 8.839 0.247 18679 2108 1 6 . 1 1 60 60 ALA N N 60 123.241 123.241 122.644 0.597 18679 2109 1 6 . 1 1 60 60 ALA HA H 60 4.878 4.878 5.250 -0.372 18679 2110 1 6 . 1 1 60 60 ALA C C 60 176.210 176.210 175.098 1.112 18679 2111 1 6 . 1 1 60 60 ALA CA C 60 51.216 51.216 50.317 0.899 18679 2112 1 6 . 1 1 60 60 ALA CB C 60 20.271 20.271 21.284 -1.013 18679 2113 1 6 . 1 1 60 60 ALA H H 60 8.796 8.796 8.212 0.584 18679 2114 1 6 . 1 1 61 61 ALA N N 61 123.741 123.741 124.453 -0.712 18679 2115 1 6 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.787 -0.117 18679 2116 1 6 . 1 1 61 61 ALA C C 61 175.840 175.840 175.997 -0.157 18679 2117 1 6 . 1 1 61 61 ALA CA C 61 50.868 50.868 49.902 0.966 18679 2118 1 6 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.930 0.133 18679 2119 1 6 . 1 1 61 61 ALA H H 61 9.165 9.165 8.782 0.383 18679 2120 1 6 . 1 1 62 62 ASN N N 62 118.727 118.727 116.392 2.335 18679 2121 1 6 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.410 -0.160 18679 2122 1 6 . 1 1 62 62 ASN C C 62 178.093 178.093 174.127 3.966 18679 2123 1 6 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.170 -0.203 18679 2124 1 6 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.792 0.437 18679 2125 1 6 . 1 1 62 62 ASN H H 62 9.288 9.288 8.703 0.585 18679 2126 1 6 . 1 1 63 63 VAL N N 63 116.869 116.869 120.450 -3.581 18679 2127 1 6 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.157 0.226 18679 2128 1 6 . 1 1 63 63 VAL C C 63 175.378 175.378 175.357 0.021 18679 2129 1 6 . 1 1 63 63 VAL CA C 63 63.116 63.116 62.174 0.942 18679 2130 1 6 . 1 1 63 63 VAL CB C 63 31.509 31.509 29.820 1.690 18679 2131 1 6 . 1 1 63 63 VAL H H 63 8.129 8.129 8.126 0.003 18679 2132 1 6 . 1 1 64 64 GLN N N 64 127.534 127.534 127.814 -0.280 18679 2133 1 6 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.398 0.379 18679 2134 1 6 . 1 1 64 64 GLN CA C 64 54.133 54.133 54.639 -0.506 18679 2135 1 6 . 1 1 64 64 GLN CB C 64 32.174 32.174 30.244 1.930 18679 2136 1 6 . 1 1 64 64 GLN H H 64 9.104 9.104 8.545 0.559 18679 2137 1 6 . 1 1 65 65 LYS N N 65 122.593 122.593 125.555 -2.962 18679 2138 1 6 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.171 0.124 18679 2139 1 6 . 1 1 65 65 LYS C C 65 175.520 175.520 175.582 -0.062 18679 2140 1 6 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.835 0.925 18679 2141 1 6 . 1 1 65 65 LYS CB C 65 32.714 32.714 32.792 -0.078 18679 2142 1 6 . 1 1 65 65 LYS H H 65 8.637 8.637 8.719 -0.082 18679 2143 1 7 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.678 0.248 18679 2144 1 7 . 1 1 2 2 GLU C C 2 173.979 173.979 174.557 -0.578 18679 2145 1 7 . 1 1 2 2 GLU CB C 2 26.849 26.849 32.721 -5.872 18679 2146 1 7 . 1 1 3 3 GLN N N 3 116.901 116.901 118.578 -1.677 18679 2147 1 7 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.693 0.457 18679 2148 1 7 . 1 1 3 3 GLN C C 3 175.962 175.962 175.818 0.144 18679 2149 1 7 . 1 1 3 3 GLN CA C 3 54.124 54.124 55.304 -1.180 18679 2150 1 7 . 1 1 3 3 GLN CB C 3 31.938 31.938 30.157 1.781 18679 2151 1 7 . 1 1 3 3 GLN H H 3 8.202 8.202 8.401 -0.199 18679 2152 1 7 . 1 1 4 4 GLY N N 4 108.174 108.174 111.204 -3.030 18679 2153 1 7 . 1 1 4 4 GLY C C 4 172.109 172.109 172.281 -0.172 18679 2154 1 7 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.574 1.040 18679 2155 1 7 . 1 1 4 4 GLY H H 4 8.629 8.629 9.136 -0.507 18679 2156 1 7 . 1 1 5 5 THR N N 5 114.528 114.528 119.726 -5.198 18679 2157 1 7 . 1 1 5 5 THR HA H 5 5.210 5.210 5.004 0.206 18679 2158 1 7 . 1 1 5 5 THR C C 5 173.994 173.994 174.939 -0.945 18679 2159 1 7 . 1 1 5 5 THR CA C 5 60.077 60.077 61.615 -1.538 18679 2160 1 7 . 1 1 5 5 THR CB C 5 71.635 71.635 70.280 1.355 18679 2161 1 7 . 1 1 5 5 THR H H 5 8.417 8.417 8.326 0.091 18679 2162 1 7 . 1 1 6 6 VAL N N 6 125.816 125.816 128.712 -2.896 18679 2163 1 7 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.798 -0.277 18679 2164 1 7 . 1 1 6 6 VAL C C 6 175.620 175.620 176.325 -0.705 18679 2165 1 7 . 1 1 6 6 VAL CA C 6 65.068 65.068 64.165 0.903 18679 2166 1 7 . 1 1 6 6 VAL CB C 6 31.632 31.632 31.243 0.389 18679 2167 1 7 . 1 1 6 6 VAL H H 6 8.908 8.908 9.168 -0.260 18679 2168 1 7 . 1 1 7 7 LYS N N 7 135.919 135.919 129.420 6.499 18679 2169 1 7 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.399 -0.185 18679 2170 1 7 . 1 1 7 7 LYS C C 7 175.913 175.913 176.685 -0.772 18679 2171 1 7 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.379 0.375 18679 2172 1 7 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.326 1.766 18679 2173 1 7 . 1 1 7 7 LYS H H 7 9.260 9.260 8.809 0.451 18679 2174 1 7 . 1 1 8 8 TRP N N 8 110.597 110.597 116.976 -6.379 18679 2175 1 7 . 1 1 8 8 TRP HA H 8 4.567 4.567 5.028 -0.461 18679 2176 1 7 . 1 1 8 8 TRP C C 8 173.327 173.327 173.287 0.040 18679 2177 1 7 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.670 0.201 18679 2178 1 7 . 1 1 8 8 TRP CB C 8 30.675 30.675 30.823 -0.148 18679 2179 1 7 . 1 1 8 8 TRP H H 8 7.372 7.372 7.455 -0.083 18679 2180 1 7 . 1 1 9 9 PHE N N 9 120.373 120.373 116.712 3.661 18679 2181 1 7 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.771 -0.591 18679 2182 1 7 . 1 1 9 9 PHE C C 9 172.561 172.561 174.064 -1.503 18679 2183 1 7 . 1 1 9 9 PHE CA C 9 59.110 59.110 55.908 3.202 18679 2184 1 7 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.588 1.699 18679 2185 1 7 . 1 1 9 9 PHE H H 9 9.265 9.265 8.609 0.656 18679 2186 1 7 . 1 1 10 10 ASN N N 10 127.710 127.710 124.737 2.973 18679 2187 1 7 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.702 0.231 18679 2188 1 7 . 1 1 10 10 ASN C C 10 174.373 174.373 175.522 -1.149 18679 2189 1 7 . 1 1 10 10 ASN CA C 10 51.898 51.898 50.727 1.171 18679 2190 1 7 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.116 1.793 18679 2191 1 7 . 1 1 10 10 ASN H H 10 8.223 8.223 8.500 -0.277 18679 2192 1 7 . 1 1 11 11 ALA N N 11 129.186 129.186 125.287 3.899 18679 2193 1 7 . 1 1 11 11 ALA HA H 11 4.303 4.303 4.082 0.221 18679 2194 1 7 . 1 1 11 11 ALA C C 11 176.087 176.087 178.624 -2.537 18679 2195 1 7 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.921 -1.112 18679 2196 1 7 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.940 -0.239 18679 2197 1 7 . 1 1 11 11 ALA H H 11 9.119 9.119 7.617 1.502 18679 2198 1 7 . 1 1 12 12 GLU N N 12 116.366 116.366 116.389 -0.023 18679 2199 1 7 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.036 -0.013 18679 2200 1 7 . 1 1 12 12 GLU C C 12 175.119 175.119 177.343 -2.224 18679 2201 1 7 . 1 1 12 12 GLU CA C 12 58.448 58.448 57.910 0.538 18679 2202 1 7 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.268 -0.112 18679 2203 1 7 . 1 1 12 12 GLU H H 12 8.082 8.082 8.390 -0.308 18679 2204 1 7 . 1 1 13 13 LYS N N 13 113.821 113.821 116.642 -2.821 18679 2205 1 7 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.383 -0.071 18679 2206 1 7 . 1 1 13 13 LYS C C 13 177.130 177.130 176.762 0.368 18679 2207 1 7 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.382 1.430 18679 2208 1 7 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.330 1.284 18679 2209 1 7 . 1 1 13 13 LYS H H 13 7.273 7.273 7.368 -0.095 18679 2210 1 7 . 1 1 14 14 GLY N N 14 105.929 105.929 108.019 -2.090 18679 2211 1 7 . 1 1 14 14 GLY C C 14 172.485 172.485 173.296 -0.811 18679 2212 1 7 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.125 1.629 18679 2213 1 7 . 1 1 14 14 GLY H H 14 8.370 8.370 7.906 0.464 18679 2214 1 7 . 1 1 15 15 PHE N N 15 112.060 112.060 115.922 -3.862 18679 2215 1 7 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.549 -0.735 18679 2216 1 7 . 1 1 15 15 PHE C C 15 171.414 171.414 173.022 -1.608 18679 2217 1 7 . 1 1 15 15 PHE CA C 15 53.720 53.720 54.729 -1.009 18679 2218 1 7 . 1 1 15 15 PHE CB C 15 42.723 42.723 41.114 1.609 18679 2219 1 7 . 1 1 15 15 PHE H H 15 6.572 6.572 7.368 -0.796 18679 2220 1 7 . 1 1 16 16 GLY N N 16 105.419 105.419 106.465 -1.046 18679 2221 1 7 . 1 1 16 16 GLY C C 16 173.812 173.812 171.341 2.471 18679 2222 1 7 . 1 1 16 16 GLY CA C 16 44.912 44.912 43.713 1.199 18679 2223 1 7 . 1 1 16 16 GLY H H 16 7.851 7.851 8.197 -0.346 18679 2224 1 7 . 1 1 17 17 PHE N N 17 115.154 115.154 118.595 -3.441 18679 2225 1 7 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.326 -0.318 18679 2226 1 7 . 1 1 17 17 PHE C C 17 174.568 174.568 174.732 -0.164 18679 2227 1 7 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.357 0.367 18679 2228 1 7 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.082 3.107 18679 2229 1 7 . 1 1 17 17 PHE H H 17 7.800 7.800 8.389 -0.589 18679 2230 1 7 . 1 1 18 18 ILE N N 18 122.756 122.756 123.165 -0.409 18679 2231 1 7 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.626 -0.565 18679 2232 1 7 . 1 1 18 18 ILE C C 18 174.459 174.459 175.003 -0.544 18679 2233 1 7 . 1 1 18 18 ILE CA C 18 60.156 60.156 59.877 0.279 18679 2234 1 7 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.990 0.389 18679 2235 1 7 . 1 1 18 18 ILE H H 18 9.337 9.337 8.659 0.678 18679 2236 1 7 . 1 1 19 19 GLU N N 19 126.777 126.777 125.034 1.743 18679 2237 1 7 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.667 0.248 18679 2238 1 7 . 1 1 19 19 GLU C C 19 175.169 175.169 175.132 0.037 18679 2239 1 7 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.479 -0.499 18679 2240 1 7 . 1 1 19 19 GLU CB C 19 32.204 32.204 31.161 1.043 18679 2241 1 7 . 1 1 19 19 GLU H H 19 9.294 9.294 8.940 0.354 18679 2242 1 7 . 1 1 20 20 ARG N N 20 123.573 123.573 125.451 -1.878 18679 2243 1 7 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.998 -0.978 18679 2244 1 7 . 1 1 20 20 ARG C C 20 176.345 176.345 177.130 -0.785 18679 2245 1 7 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.408 0.998 18679 2246 1 7 . 1 1 20 20 ARG CB C 20 33.630 33.630 34.520 -0.890 18679 2247 1 7 . 1 1 20 20 ARG H H 20 9.290 9.290 8.334 0.956 18679 2248 1 7 . 1 1 21 21 GLU N N 21 121.542 121.542 125.246 -3.704 18679 2249 1 7 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.059 0.041 18679 2250 1 7 . 1 1 21 21 GLU C C 21 177.265 177.265 177.099 0.166 18679 2251 1 7 . 1 1 21 21 GLU CA C 21 58.795 58.795 58.653 0.142 18679 2252 1 7 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.619 0.289 18679 2253 1 7 . 1 1 21 21 GLU H H 21 9.066 9.066 9.117 -0.051 18679 2254 1 7 . 1 1 22 22 ASN N N 22 115.336 115.336 119.670 -4.334 18679 2255 1 7 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.769 -0.021 18679 2256 1 7 . 1 1 22 22 ASN C C 22 174.806 174.806 173.912 0.894 18679 2257 1 7 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.799 0.330 18679 2258 1 7 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.451 0.569 18679 2259 1 7 . 1 1 22 22 ASN H H 22 8.257 8.257 8.164 0.093 18679 2260 1 7 . 1 1 23 23 GLY N N 23 107.564 107.564 110.555 -2.991 18679 2261 1 7 . 1 1 23 23 GLY C C 23 172.948 172.948 173.572 -0.624 18679 2262 1 7 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.002 -0.306 18679 2263 1 7 . 1 1 23 23 GLY H H 23 7.866 7.866 7.853 0.013 18679 2264 1 7 . 1 1 24 24 ASP N N 24 120.038 120.038 119.563 0.475 18679 2265 1 7 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.556 0.072 18679 2266 1 7 . 1 1 24 24 ASP C C 24 175.559 175.559 175.292 0.267 18679 2267 1 7 . 1 1 24 24 ASP CA C 24 54.453 54.453 54.738 -0.285 18679 2268 1 7 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.590 0.954 18679 2269 1 7 . 1 1 24 24 ASP H H 24 8.370 8.370 8.563 -0.193 18679 2270 1 7 . 1 1 25 25 ASP N N 25 120.666 120.666 118.016 2.650 18679 2271 1 7 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.883 0.038 18679 2272 1 7 . 1 1 25 25 ASP C C 25 176.258 176.258 175.080 1.178 18679 2273 1 7 . 1 1 25 25 ASP CA C 25 54.973 54.973 52.720 2.253 18679 2274 1 7 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.544 1.944 18679 2275 1 7 . 1 1 25 25 ASP H H 25 8.698 8.698 7.830 0.868 18679 2276 1 7 . 1 1 26 26 VAL N N 26 120.541 120.541 121.627 -1.086 18679 2277 1 7 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.355 -0.009 18679 2278 1 7 . 1 1 26 26 VAL C C 26 174.724 174.724 174.409 0.315 18679 2279 1 7 . 1 1 26 26 VAL CA C 26 60.847 60.847 61.135 -0.288 18679 2280 1 7 . 1 1 26 26 VAL CB C 26 34.500 34.500 33.450 1.050 18679 2281 1 7 . 1 1 26 26 VAL H H 26 9.365 9.365 8.544 0.821 18679 2282 1 7 . 1 1 27 27 PHE N N 27 130.752 130.752 130.105 0.647 18679 2283 1 7 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.600 -1.070 18679 2284 1 7 . 1 1 27 27 PHE C C 27 172.517 172.517 173.871 -1.354 18679 2285 1 7 . 1 1 27 27 PHE CA C 27 58.978 58.978 56.648 2.330 18679 2286 1 7 . 1 1 27 27 PHE CB C 27 39.934 39.934 39.860 0.074 18679 2287 1 7 . 1 1 27 27 PHE H H 27 8.335 8.335 9.261 -0.926 18679 2288 1 7 . 1 1 28 28 VAL N N 28 124.530 124.530 128.010 -3.480 18679 2289 1 7 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.160 0.233 18679 2290 1 7 . 1 1 28 28 VAL C C 28 170.556 170.556 173.574 -3.018 18679 2291 1 7 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.804 -2.098 18679 2292 1 7 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.132 0.465 18679 2293 1 7 . 1 1 28 28 VAL H H 28 7.411 7.411 8.336 -0.925 18679 2294 1 7 . 1 1 29 29 HIS N N 29 127.448 127.448 128.004 -0.556 18679 2295 1 7 . 1 1 29 29 HIS HA H 29 4.559 4.559 4.884 -0.325 18679 2296 1 7 . 1 1 29 29 HIS C C 29 177.582 177.582 176.608 0.974 18679 2297 1 7 . 1 1 29 29 HIS CA C 29 55.739 55.739 54.881 0.858 18679 2298 1 7 . 1 1 29 29 HIS CB C 29 33.542 33.542 31.368 2.174 18679 2299 1 7 . 1 1 29 29 HIS H H 29 8.561 8.561 8.554 0.007 18679 2300 1 7 . 1 1 30 30 PHE N N 30 122.691 122.691 125.964 -3.273 18679 2301 1 7 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.143 -0.281 18679 2302 1 7 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.345 -0.355 18679 2303 1 7 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.466 -1.986 18679 2304 1 7 . 1 1 30 30 PHE H H 30 7.970 7.970 8.387 -0.417 18679 2305 1 7 . 1 1 31 31 SER N N 31 118.356 118.356 114.060 4.296 18679 2306 1 7 . 1 1 31 31 SER HA H 31 3.858 3.858 3.967 -0.109 18679 2307 1 7 . 1 1 31 31 SER C C 31 175.382 175.382 174.348 1.034 18679 2308 1 7 . 1 1 31 31 SER CA C 31 59.761 59.761 57.664 2.097 18679 2309 1 7 . 1 1 31 31 SER CB C 31 62.630 62.630 62.584 0.047 18679 2310 1 7 . 1 1 31 31 SER H H 31 7.623 7.623 6.690 0.933 18679 2311 1 7 . 1 1 32 32 ALA N N 32 124.536 124.536 123.369 1.167 18679 2312 1 7 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.399 0.006 18679 2313 1 7 . 1 1 32 32 ALA C C 32 177.706 177.706 177.312 0.394 18679 2314 1 7 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.049 0.335 18679 2315 1 7 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.615 0.558 18679 2316 1 7 . 1 1 32 32 ALA H H 32 7.902 7.902 7.811 0.091 18679 2317 1 7 . 1 1 33 33 ILE N N 33 121.051 121.051 122.066 -1.015 18679 2318 1 7 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.961 -0.120 18679 2319 1 7 . 1 1 33 33 ILE C C 33 175.517 175.517 175.109 0.408 18679 2320 1 7 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.181 1.071 18679 2321 1 7 . 1 1 33 33 ILE CB C 33 37.984 37.984 37.548 0.436 18679 2322 1 7 . 1 1 33 33 ILE H H 33 7.595 7.595 7.386 0.209 18679 2323 1 7 . 1 1 34 34 GLN N N 34 126.803 126.803 127.915 -1.112 18679 2324 1 7 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.369 -0.114 18679 2325 1 7 . 1 1 34 34 GLN C C 34 176.167 176.167 175.208 0.959 18679 2326 1 7 . 1 1 34 34 GLN CA C 34 55.872 55.872 54.746 1.126 18679 2327 1 7 . 1 1 34 34 GLN CB C 34 29.510 29.510 26.561 2.949 18679 2328 1 7 . 1 1 34 34 GLN H H 34 8.714 8.714 8.431 0.283 18679 2329 1 7 . 1 1 35 35 GLY N N 35 110.928 110.928 108.991 1.937 18679 2330 1 7 . 1 1 35 35 GLY C C 35 172.763 172.763 173.413 -0.650 18679 2331 1 7 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.145 0.693 18679 2332 1 7 . 1 1 35 35 GLY H H 35 8.411 8.411 7.770 0.641 18679 2333 1 7 . 1 1 36 36 ASP N N 36 119.994 119.994 119.630 0.364 18679 2334 1 7 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.559 0.240 18679 2335 1 7 . 1 1 36 36 ASP C C 36 176.584 176.584 177.207 -0.623 18679 2336 1 7 . 1 1 36 36 ASP CA C 36 53.957 53.957 54.422 -0.465 18679 2337 1 7 . 1 1 36 36 ASP CB C 36 42.297 42.297 40.743 1.554 18679 2338 1 7 . 1 1 36 36 ASP H H 36 8.319 8.319 8.560 -0.241 18679 2339 1 7 . 1 1 37 37 GLY N N 37 108.688 108.688 116.155 -7.467 18679 2340 1 7 . 1 1 37 37 GLY C C 37 176.528 176.528 173.435 3.093 18679 2341 1 7 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.165 -0.489 18679 2342 1 7 . 1 1 37 37 GLY H H 37 8.390 8.390 8.398 -0.008 18679 2343 1 7 . 1 1 38 38 PHE N N 38 122.793 122.793 120.252 2.541 18679 2344 1 7 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.706 0.061 18679 2345 1 7 . 1 1 38 38 PHE C C 38 175.402 175.402 174.289 1.113 18679 2346 1 7 . 1 1 38 38 PHE CA C 38 59.992 59.992 56.241 3.751 18679 2347 1 7 . 1 1 38 38 PHE CB C 38 39.043 39.043 42.236 -3.193 18679 2348 1 7 . 1 1 38 38 PHE H H 38 8.423 8.423 7.496 0.927 18679 2349 1 7 . 1 1 39 39 LYS N N 39 123.349 123.349 123.824 -0.475 18679 2350 1 7 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.381 -0.048 18679 2351 1 7 . 1 1 39 39 LYS C C 39 169.990 169.990 176.102 -6.112 18679 2352 1 7 . 1 1 39 39 LYS CA C 39 55.478 55.478 56.062 -0.584 18679 2353 1 7 . 1 1 39 39 LYS CB C 39 32.335 32.335 31.022 1.313 18679 2354 1 7 . 1 1 39 39 LYS H H 39 8.592 8.592 8.614 -0.022 18679 2355 1 7 . 1 1 40 40 SER N N 40 113.941 113.941 116.246 -2.305 18679 2356 1 7 . 1 1 40 40 SER HA H 40 3.673 3.673 4.397 -0.724 18679 2357 1 7 . 1 1 40 40 SER CA C 40 57.015 57.015 57.083 -0.068 18679 2358 1 7 . 1 1 40 40 SER CB C 40 64.589 64.589 65.264 -0.675 18679 2359 1 7 . 1 1 40 40 SER H H 40 7.444 7.444 7.955 -0.511 18679 2360 1 7 . 1 1 41 41 LEU N N 41 117.107 117.107 121.385 -4.278 18679 2361 1 7 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.360 0.034 18679 2362 1 7 . 1 1 41 41 LEU C C 41 173.917 173.917 175.182 -1.265 18679 2363 1 7 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.127 -0.713 18679 2364 1 7 . 1 1 41 41 LEU CB C 41 46.815 46.815 44.525 2.291 18679 2365 1 7 . 1 1 41 41 LEU H H 41 5.598 5.598 7.473 -1.875 18679 2366 1 7 . 1 1 42 42 ASP N N 42 118.896 118.896 123.120 -4.224 18679 2367 1 7 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.519 0.375 18679 2368 1 7 . 1 1 42 42 ASP C C 42 175.559 175.559 176.156 -0.597 18679 2369 1 7 . 1 1 42 42 ASP CA C 42 52.777 52.777 55.372 -2.595 18679 2370 1 7 . 1 1 42 42 ASP CB C 42 42.970 42.970 41.623 1.347 18679 2371 1 7 . 1 1 42 42 ASP H H 42 8.156 8.156 8.340 -0.184 18679 2372 1 7 . 1 1 43 43 GLU N N 43 121.023 121.023 122.828 -1.805 18679 2373 1 7 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.236 -0.718 18679 2374 1 7 . 1 1 43 43 GLU C C 43 177.211 177.211 177.415 -0.204 18679 2375 1 7 . 1 1 43 43 GLU CA C 43 58.444 58.444 57.153 1.292 18679 2376 1 7 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.207 0.324 18679 2377 1 7 . 1 1 43 43 GLU H H 43 8.689 8.689 8.690 -0.001 18679 2378 1 7 . 1 1 44 44 GLY N N 44 113.916 113.916 113.234 0.682 18679 2379 1 7 . 1 1 44 44 GLY C C 44 173.870 173.870 173.797 0.073 18679 2380 1 7 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.864 0.330 18679 2381 1 7 . 1 1 44 44 GLY H H 44 8.971 8.971 9.253 -0.282 18679 2382 1 7 . 1 1 45 45 GLN N N 45 120.533 120.533 120.600 -0.067 18679 2383 1 7 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.578 -0.401 18679 2384 1 7 . 1 1 45 45 GLN C C 45 175.454 175.454 174.149 1.305 18679 2385 1 7 . 1 1 45 45 GLN CA C 45 56.105 56.105 53.809 2.296 18679 2386 1 7 . 1 1 45 45 GLN CB C 45 30.398 30.398 31.008 -0.610 18679 2387 1 7 . 1 1 45 45 GLN H H 45 7.634 7.634 7.730 -0.096 18679 2388 1 7 . 1 1 46 46 ALA N N 46 130.118 130.118 129.057 1.061 18679 2389 1 7 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.164 -0.231 18679 2390 1 7 . 1 1 46 46 ALA C C 46 178.148 178.148 176.391 1.757 18679 2391 1 7 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.365 0.841 18679 2392 1 7 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.760 -0.777 18679 2393 1 7 . 1 1 46 46 ALA H H 46 8.894 8.894 8.573 0.321 18679 2394 1 7 . 1 1 47 47 VAL N N 47 114.581 114.581 117.605 -3.024 18679 2395 1 7 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.977 0.431 18679 2396 1 7 . 1 1 47 47 VAL C C 47 175.654 175.654 174.331 1.323 18679 2397 1 7 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.268 -0.396 18679 2398 1 7 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.278 1.851 18679 2399 1 7 . 1 1 47 47 VAL H H 47 8.591 8.591 8.914 -0.323 18679 2400 1 7 . 1 1 48 48 THR N N 48 113.346 113.346 113.563 -0.217 18679 2401 1 7 . 1 1 48 48 THR HA H 48 5.398 5.398 5.322 0.076 18679 2402 1 7 . 1 1 48 48 THR C C 48 177.527 177.527 174.112 3.415 18679 2403 1 7 . 1 1 48 48 THR CA C 48 60.253 60.253 59.957 0.296 18679 2404 1 7 . 1 1 48 48 THR CB C 48 71.323 71.323 69.797 1.526 18679 2405 1 7 . 1 1 48 48 THR H H 48 8.943 8.943 8.321 0.622 18679 2406 1 7 . 1 1 49 49 PHE N N 49 116.531 116.531 122.065 -5.534 18679 2407 1 7 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.701 -0.698 18679 2408 1 7 . 1 1 49 49 PHE C C 49 171.900 171.900 173.487 -1.587 18679 2409 1 7 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.602 1.987 18679 2410 1 7 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.242 -2.502 18679 2411 1 7 . 1 1 49 49 PHE H H 49 8.214 8.214 8.076 0.138 18679 2412 1 7 . 1 1 50 50 ASP N N 50 118.134 118.134 120.893 -2.759 18679 2413 1 7 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.067 0.100 18679 2414 1 7 . 1 1 50 50 ASP C C 50 175.559 175.559 175.071 0.488 18679 2415 1 7 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.858 1.113 18679 2416 1 7 . 1 1 50 50 ASP CB C 50 43.986 43.986 43.392 0.594 18679 2417 1 7 . 1 1 50 50 ASP H H 50 8.862 8.862 8.539 0.323 18679 2418 1 7 . 1 1 51 51 VAL N N 51 120.815 120.815 124.913 -4.098 18679 2419 1 7 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.253 0.517 18679 2420 1 7 . 1 1 51 51 VAL C C 51 175.378 175.378 175.148 0.230 18679 2421 1 7 . 1 1 51 51 VAL CA C 51 62.046 62.046 62.599 -0.553 18679 2422 1 7 . 1 1 51 51 VAL CB C 51 33.854 33.854 33.226 0.628 18679 2423 1 7 . 1 1 51 51 VAL H H 51 8.700 8.700 8.691 0.009 18679 2424 1 7 . 1 1 52 52 GLU N N 52 127.575 127.575 128.516 -0.941 18679 2425 1 7 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.720 0.060 18679 2426 1 7 . 1 1 52 52 GLU C C 52 175.436 175.436 174.465 0.971 18679 2427 1 7 . 1 1 52 52 GLU CA C 52 54.133 54.133 55.078 -0.945 18679 2428 1 7 . 1 1 52 52 GLU CB C 52 32.295 32.295 33.631 -1.336 18679 2429 1 7 . 1 1 52 52 GLU H H 52 9.062 9.062 8.932 0.130 18679 2430 1 7 . 1 1 53 53 GLU N N 53 124.119 124.119 120.236 3.883 18679 2431 1 7 . 1 1 53 53 GLU HA H 53 4.260 4.260 5.370 -1.110 18679 2432 1 7 . 1 1 53 53 GLU C C 53 176.436 176.436 175.891 0.545 18679 2433 1 7 . 1 1 53 53 GLU CA C 53 56.417 56.417 54.838 1.579 18679 2434 1 7 . 1 1 53 53 GLU CB C 53 29.392 29.392 33.191 -3.799 18679 2435 1 7 . 1 1 53 53 GLU H H 53 8.808 8.808 8.535 0.273 18679 2436 1 7 . 1 1 54 54 GLY N N 54 113.794 113.794 108.626 5.168 18679 2437 1 7 . 1 1 54 54 GLY C C 54 175.559 175.559 175.213 0.346 18679 2438 1 7 . 1 1 54 54 GLY CA C 54 44.527 44.527 45.321 -0.794 18679 2439 1 7 . 1 1 54 54 GLY H H 54 7.822 7.822 8.311 -0.489 18679 2440 1 7 . 1 1 55 55 GLN N N 55 121.059 121.059 123.321 -2.262 18679 2441 1 7 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.234 0.523 18679 2442 1 7 . 1 1 55 55 GLN C C 55 177.419 177.419 176.289 1.130 18679 2443 1 7 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.302 1.322 18679 2444 1 7 . 1 1 55 55 GLN CB C 55 29.233 29.233 29.054 0.179 18679 2445 1 7 . 1 1 55 55 GLN H H 55 8.685 8.685 8.718 -0.033 18679 2446 1 7 . 1 1 56 56 ARG N N 56 116.444 116.444 118.421 -1.977 18679 2447 1 7 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.458 -0.032 18679 2448 1 7 . 1 1 56 56 ARG C C 56 175.110 175.110 175.662 -0.552 18679 2449 1 7 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.459 -0.624 18679 2450 1 7 . 1 1 56 56 ARG CB C 56 30.092 30.092 29.546 0.546 18679 2451 1 7 . 1 1 56 56 ARG H H 56 8.491 8.491 8.059 0.432 18679 2452 1 7 . 1 1 57 57 GLY N N 57 107.667 107.667 109.739 -2.072 18679 2453 1 7 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.381 -0.180 18679 2454 1 7 . 1 1 57 57 GLY H H 57 7.316 7.316 7.653 -0.337 18679 2455 1 7 . 1 1 58 58 PRO HA H 58 4.810 4.810 5.066 -0.256 18679 2456 1 7 . 1 1 58 58 PRO C C 58 176.345 176.345 175.543 0.802 18679 2457 1 7 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.242 0.876 18679 2458 1 7 . 1 1 58 58 PRO CB C 58 32.517 32.517 31.338 1.179 18679 2459 1 7 . 1 1 59 59 GLN N N 59 121.136 121.136 123.777 -2.641 18679 2460 1 7 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.430 -0.270 18679 2461 1 7 . 1 1 59 59 GLN C C 59 173.910 173.910 174.817 -0.907 18679 2462 1 7 . 1 1 59 59 GLN CA C 59 54.284 54.284 52.840 1.444 18679 2463 1 7 . 1 1 59 59 GLN CB C 59 32.688 32.688 31.667 1.021 18679 2464 1 7 . 1 1 59 59 GLN H H 59 9.086 9.086 9.051 0.035 18679 2465 1 7 . 1 1 60 60 ALA N N 60 123.241 123.241 125.982 -2.741 18679 2466 1 7 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.505 0.373 18679 2467 1 7 . 1 1 60 60 ALA C C 60 176.210 176.210 175.672 0.538 18679 2468 1 7 . 1 1 60 60 ALA CA C 60 51.216 51.216 50.995 0.221 18679 2469 1 7 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.130 1.141 18679 2470 1 7 . 1 1 60 60 ALA H H 60 8.796 8.796 8.783 0.013 18679 2471 1 7 . 1 1 61 61 ALA N N 61 123.741 123.741 127.058 -3.317 18679 2472 1 7 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.656 0.014 18679 2473 1 7 . 1 1 61 61 ALA C C 61 175.840 175.840 176.191 -0.351 18679 2474 1 7 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.539 0.329 18679 2475 1 7 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.430 0.633 18679 2476 1 7 . 1 1 61 61 ALA H H 61 9.165 9.165 8.184 0.981 18679 2477 1 7 . 1 1 62 62 ASN N N 62 118.727 118.727 116.958 1.769 18679 2478 1 7 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.408 -0.158 18679 2479 1 7 . 1 1 62 62 ASN C C 62 178.093 178.093 173.870 4.223 18679 2480 1 7 . 1 1 62 62 ASN CA C 62 53.967 53.967 53.831 0.136 18679 2481 1 7 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.882 0.347 18679 2482 1 7 . 1 1 62 62 ASN H H 62 9.288 9.288 8.813 0.475 18679 2483 1 7 . 1 1 63 63 VAL N N 63 116.869 116.869 122.224 -5.355 18679 2484 1 7 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.463 -0.080 18679 2485 1 7 . 1 1 63 63 VAL C C 63 175.378 175.378 175.493 -0.115 18679 2486 1 7 . 1 1 63 63 VAL CA C 63 63.116 63.116 62.240 0.876 18679 2487 1 7 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.414 0.095 18679 2488 1 7 . 1 1 63 63 VAL H H 63 8.129 8.129 8.304 -0.175 18679 2489 1 7 . 1 1 64 64 GLN N N 64 127.534 127.534 127.091 0.443 18679 2490 1 7 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.552 0.225 18679 2491 1 7 . 1 1 64 64 GLN CA C 64 54.133 54.133 54.761 -0.628 18679 2492 1 7 . 1 1 64 64 GLN CB C 64 32.174 32.174 31.152 1.022 18679 2493 1 7 . 1 1 64 64 GLN H H 64 9.104 9.104 9.061 0.043 18679 2494 1 7 . 1 1 65 65 LYS N N 65 122.593 122.593 119.975 2.618 18679 2495 1 7 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.476 -0.180 18679 2496 1 7 . 1 1 65 65 LYS C C 65 175.520 175.520 175.486 0.034 18679 2497 1 7 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.060 1.700 18679 2498 1 7 . 1 1 65 65 LYS CB C 65 32.714 32.714 32.956 -0.242 18679 2499 1 7 . 1 1 65 65 LYS H H 65 8.637 8.637 8.472 0.165 18679 2500 1 8 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.246 0.680 18679 2501 1 8 . 1 1 2 2 GLU C C 2 173.979 173.979 174.894 -0.915 18679 2502 1 8 . 1 1 2 2 GLU CB C 2 26.849 26.849 30.602 -3.752 18679 2503 1 8 . 1 1 3 3 GLN N N 3 116.901 116.901 122.726 -5.825 18679 2504 1 8 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.453 0.697 18679 2505 1 8 . 1 1 3 3 GLN C C 3 175.962 175.962 175.448 0.514 18679 2506 1 8 . 1 1 3 3 GLN CA C 3 54.124 54.124 55.073 -0.949 18679 2507 1 8 . 1 1 3 3 GLN CB C 3 31.938 31.938 29.482 2.456 18679 2508 1 8 . 1 1 3 3 GLN H H 3 8.202 8.202 8.458 -0.256 18679 2509 1 8 . 1 1 4 4 GLY N N 4 108.174 108.174 114.010 -5.836 18679 2510 1 8 . 1 1 4 4 GLY C C 4 172.109 172.109 172.366 -0.257 18679 2511 1 8 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.641 0.973 18679 2512 1 8 . 1 1 4 4 GLY H H 4 8.629 8.629 8.985 -0.356 18679 2513 1 8 . 1 1 5 5 THR N N 5 114.528 114.528 117.408 -2.880 18679 2514 1 8 . 1 1 5 5 THR HA H 5 5.210 5.210 5.062 0.148 18679 2515 1 8 . 1 1 5 5 THR C C 5 173.994 173.994 174.650 -0.656 18679 2516 1 8 . 1 1 5 5 THR CA C 5 60.077 60.077 61.522 -1.445 18679 2517 1 8 . 1 1 5 5 THR CB C 5 71.635 71.635 70.471 1.164 18679 2518 1 8 . 1 1 5 5 THR H H 5 8.417 8.417 8.247 0.170 18679 2519 1 8 . 1 1 6 6 VAL N N 6 125.816 125.816 127.495 -1.679 18679 2520 1 8 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.817 -0.296 18679 2521 1 8 . 1 1 6 6 VAL C C 6 175.620 175.620 176.322 -0.702 18679 2522 1 8 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.345 1.723 18679 2523 1 8 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.331 1.301 18679 2524 1 8 . 1 1 6 6 VAL H H 6 8.908 8.908 8.952 -0.044 18679 2525 1 8 . 1 1 7 7 LYS N N 7 135.919 135.919 128.857 7.062 18679 2526 1 8 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.008 0.206 18679 2527 1 8 . 1 1 7 7 LYS C C 7 175.913 175.913 176.533 -0.620 18679 2528 1 8 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.806 -1.052 18679 2529 1 8 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.275 1.817 18679 2530 1 8 . 1 1 7 7 LYS H H 7 9.260 9.260 8.525 0.735 18679 2531 1 8 . 1 1 8 8 TRP N N 8 110.597 110.597 117.550 -6.953 18679 2532 1 8 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.892 -0.325 18679 2533 1 8 . 1 1 8 8 TRP C C 8 173.327 173.327 174.533 -1.206 18679 2534 1 8 . 1 1 8 8 TRP CA C 8 55.871 55.871 56.706 -0.835 18679 2535 1 8 . 1 1 8 8 TRP CB C 8 30.675 30.675 32.441 -1.766 18679 2536 1 8 . 1 1 8 8 TRP H H 8 7.372 7.372 7.738 -0.366 18679 2537 1 8 . 1 1 9 9 PHE N N 9 120.373 120.373 124.189 -3.816 18679 2538 1 8 . 1 1 9 9 PHE HA H 9 4.180 4.180 5.027 -0.847 18679 2539 1 8 . 1 1 9 9 PHE C C 9 172.561 172.561 174.110 -1.549 18679 2540 1 8 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.811 2.299 18679 2541 1 8 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.920 1.367 18679 2542 1 8 . 1 1 9 9 PHE H H 9 9.265 9.265 8.920 0.345 18679 2543 1 8 . 1 1 10 10 ASN N N 10 127.710 127.710 127.064 0.646 18679 2544 1 8 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.512 0.421 18679 2545 1 8 . 1 1 10 10 ASN C C 10 174.373 174.373 174.731 -0.358 18679 2546 1 8 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.400 -0.502 18679 2547 1 8 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.490 1.419 18679 2548 1 8 . 1 1 10 10 ASN H H 10 8.223 8.223 8.339 -0.116 18679 2549 1 8 . 1 1 11 11 ALA N N 11 129.186 129.186 126.495 2.691 18679 2550 1 8 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.320 0.983 18679 2551 1 8 . 1 1 11 11 ALA C C 11 176.087 176.087 178.505 -2.418 18679 2552 1 8 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.732 -0.923 18679 2553 1 8 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.702 -0.001 18679 2554 1 8 . 1 1 11 11 ALA H H 11 9.119 9.119 7.441 1.678 18679 2555 1 8 . 1 1 12 12 GLU N N 12 116.366 116.366 116.784 -0.418 18679 2556 1 8 . 1 1 12 12 GLU HA H 12 4.023 4.023 3.978 0.045 18679 2557 1 8 . 1 1 12 12 GLU C C 12 175.119 175.119 177.540 -2.421 18679 2558 1 8 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.291 0.157 18679 2559 1 8 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.158 -0.002 18679 2560 1 8 . 1 1 12 12 GLU H H 12 8.082 8.082 8.354 -0.272 18679 2561 1 8 . 1 1 13 13 LYS N N 13 113.821 113.821 117.011 -3.190 18679 2562 1 8 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.203 0.109 18679 2563 1 8 . 1 1 13 13 LYS C C 13 177.130 177.130 177.335 -0.205 18679 2564 1 8 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.847 0.965 18679 2565 1 8 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.102 1.512 18679 2566 1 8 . 1 1 13 13 LYS H H 13 7.273 7.273 7.157 0.116 18679 2567 1 8 . 1 1 14 14 GLY N N 14 105.929 105.929 107.250 -1.321 18679 2568 1 8 . 1 1 14 14 GLY C C 14 172.485 172.485 173.235 -0.750 18679 2569 1 8 . 1 1 14 14 GLY CA C 14 46.754 46.754 44.912 1.842 18679 2570 1 8 . 1 1 14 14 GLY H H 14 8.370 8.370 8.128 0.242 18679 2571 1 8 . 1 1 15 15 PHE N N 15 112.060 112.060 115.630 -3.570 18679 2572 1 8 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.664 -0.850 18679 2573 1 8 . 1 1 15 15 PHE C C 15 171.414 171.414 172.942 -1.528 18679 2574 1 8 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.249 -1.529 18679 2575 1 8 . 1 1 15 15 PHE CB C 15 42.723 42.723 41.117 1.606 18679 2576 1 8 . 1 1 15 15 PHE H H 15 6.572 6.572 7.253 -0.681 18679 2577 1 8 . 1 1 16 16 GLY N N 16 105.419 105.419 105.967 -0.548 18679 2578 1 8 . 1 1 16 16 GLY C C 16 173.812 173.812 171.600 2.212 18679 2579 1 8 . 1 1 16 16 GLY CA C 16 44.912 44.912 45.211 -0.299 18679 2580 1 8 . 1 1 16 16 GLY H H 16 7.851 7.851 8.033 -0.182 18679 2581 1 8 . 1 1 17 17 PHE N N 17 115.154 115.154 118.252 -3.098 18679 2582 1 8 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.625 -0.617 18679 2583 1 8 . 1 1 17 17 PHE C C 17 174.568 174.568 174.953 -0.385 18679 2584 1 8 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.684 0.041 18679 2585 1 8 . 1 1 17 17 PHE CB C 17 45.189 45.189 43.146 2.043 18679 2586 1 8 . 1 1 17 17 PHE H H 17 7.800 7.800 9.205 -1.405 18679 2587 1 8 . 1 1 18 18 ILE N N 18 122.756 122.756 122.832 -0.076 18679 2588 1 8 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.620 -0.559 18679 2589 1 8 . 1 1 18 18 ILE C C 18 174.459 174.459 175.060 -0.601 18679 2590 1 8 . 1 1 18 18 ILE CA C 18 60.156 60.156 59.977 0.178 18679 2591 1 8 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.453 0.926 18679 2592 1 8 . 1 1 18 18 ILE H H 18 9.337 9.337 9.202 0.135 18679 2593 1 8 . 1 1 19 19 GLU N N 19 126.777 126.777 127.093 -0.316 18679 2594 1 8 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.381 0.534 18679 2595 1 8 . 1 1 19 19 GLU C C 19 175.169 175.169 174.691 0.478 18679 2596 1 8 . 1 1 19 19 GLU CA C 19 54.980 54.980 56.093 -1.113 18679 2597 1 8 . 1 1 19 19 GLU CB C 19 32.204 32.204 30.840 1.363 18679 2598 1 8 . 1 1 19 19 GLU H H 19 9.294 9.294 8.801 0.493 18679 2599 1 8 . 1 1 20 20 ARG N N 20 123.573 123.573 124.954 -1.381 18679 2600 1 8 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.737 -0.718 18679 2601 1 8 . 1 1 20 20 ARG C C 20 176.345 176.345 177.482 -1.137 18679 2602 1 8 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.829 0.577 18679 2603 1 8 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.992 0.638 18679 2604 1 8 . 1 1 20 20 ARG H H 20 9.290 9.290 8.440 0.850 18679 2605 1 8 . 1 1 21 21 GLU N N 21 121.542 121.542 126.097 -4.555 18679 2606 1 8 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.028 0.072 18679 2607 1 8 . 1 1 21 21 GLU C C 21 177.265 177.265 176.721 0.544 18679 2608 1 8 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.013 -0.218 18679 2609 1 8 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.087 0.821 18679 2610 1 8 . 1 1 21 21 GLU H H 21 9.066 9.066 8.982 0.084 18679 2611 1 8 . 1 1 22 22 ASN N N 22 115.336 115.336 117.607 -2.271 18679 2612 1 8 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.640 0.108 18679 2613 1 8 . 1 1 22 22 ASN C C 22 174.806 174.806 176.041 -1.235 18679 2614 1 8 . 1 1 22 22 ASN CA C 22 53.129 53.129 53.209 -0.080 18679 2615 1 8 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.907 0.113 18679 2616 1 8 . 1 1 22 22 ASN H H 22 8.257 8.257 7.856 0.401 18679 2617 1 8 . 1 1 23 23 GLY N N 23 107.564 107.564 108.113 -0.549 18679 2618 1 8 . 1 1 23 23 GLY C C 23 172.948 172.948 173.604 -0.656 18679 2619 1 8 . 1 1 23 23 GLY CA C 23 44.696 44.696 44.870 -0.174 18679 2620 1 8 . 1 1 23 23 GLY H H 23 7.866 7.866 8.241 -0.375 18679 2621 1 8 . 1 1 24 24 ASP N N 24 120.038 120.038 122.782 -2.744 18679 2622 1 8 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.717 -0.089 18679 2623 1 8 . 1 1 24 24 ASP C C 24 175.559 175.559 175.627 -0.068 18679 2624 1 8 . 1 1 24 24 ASP CA C 24 54.453 54.453 52.849 1.604 18679 2625 1 8 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.421 1.123 18679 2626 1 8 . 1 1 24 24 ASP H H 24 8.370 8.370 8.276 0.094 18679 2627 1 8 . 1 1 25 25 ASP N N 25 120.666 120.666 121.243 -0.577 18679 2628 1 8 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.727 0.194 18679 2629 1 8 . 1 1 25 25 ASP C C 25 176.258 176.258 176.090 0.168 18679 2630 1 8 . 1 1 25 25 ASP CA C 25 54.973 54.973 53.868 1.105 18679 2631 1 8 . 1 1 25 25 ASP CB C 25 42.488 42.488 41.412 1.076 18679 2632 1 8 . 1 1 25 25 ASP H H 25 8.698 8.698 7.841 0.857 18679 2633 1 8 . 1 1 26 26 VAL N N 26 120.541 120.541 119.571 0.970 18679 2634 1 8 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.149 0.197 18679 2635 1 8 . 1 1 26 26 VAL C C 26 174.724 174.724 175.130 -0.406 18679 2636 1 8 . 1 1 26 26 VAL CA C 26 60.847 60.847 61.671 -0.824 18679 2637 1 8 . 1 1 26 26 VAL CB C 26 34.500 34.500 32.999 1.501 18679 2638 1 8 . 1 1 26 26 VAL H H 26 9.365 9.365 8.786 0.579 18679 2639 1 8 . 1 1 27 27 PHE N N 27 130.752 130.752 128.460 2.292 18679 2640 1 8 . 1 1 27 27 PHE HA H 27 3.530 3.530 5.081 -1.551 18679 2641 1 8 . 1 1 27 27 PHE C C 27 172.517 172.517 174.335 -1.818 18679 2642 1 8 . 1 1 27 27 PHE CA C 27 58.978 58.978 55.954 3.024 18679 2643 1 8 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.106 -0.172 18679 2644 1 8 . 1 1 27 27 PHE H H 27 8.335 8.335 8.450 -0.115 18679 2645 1 8 . 1 1 28 28 VAL N N 28 124.530 124.530 127.734 -3.204 18679 2646 1 8 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.300 0.093 18679 2647 1 8 . 1 1 28 28 VAL C C 28 170.556 170.556 173.839 -3.283 18679 2648 1 8 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.710 -2.004 18679 2649 1 8 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.245 0.352 18679 2650 1 8 . 1 1 28 28 VAL H H 28 7.411 7.411 8.524 -1.113 18679 2651 1 8 . 1 1 29 29 HIS N N 29 127.448 127.448 124.523 2.925 18679 2652 1 8 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.156 -0.597 18679 2653 1 8 . 1 1 29 29 HIS C C 29 177.582 177.582 176.675 0.907 18679 2654 1 8 . 1 1 29 29 HIS CA C 29 55.739 55.739 53.452 2.287 18679 2655 1 8 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.376 1.166 18679 2656 1 8 . 1 1 29 29 HIS H H 29 8.561 8.561 7.720 0.841 18679 2657 1 8 . 1 1 30 30 PHE N N 30 122.691 122.691 121.636 1.055 18679 2658 1 8 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.413 -0.551 18679 2659 1 8 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.590 -0.600 18679 2660 1 8 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.904 -2.424 18679 2661 1 8 . 1 1 30 30 PHE H H 30 7.970 7.970 8.887 -0.917 18679 2662 1 8 . 1 1 31 31 SER N N 31 118.356 118.356 113.326 5.030 18679 2663 1 8 . 1 1 31 31 SER HA H 31 3.858 3.858 4.031 -0.173 18679 2664 1 8 . 1 1 31 31 SER C C 31 175.382 175.382 174.716 0.666 18679 2665 1 8 . 1 1 31 31 SER CA C 31 59.761 59.761 59.249 0.512 18679 2666 1 8 . 1 1 31 31 SER CB C 31 62.630 62.630 63.238 -0.608 18679 2667 1 8 . 1 1 31 31 SER H H 31 7.623 7.623 7.874 -0.251 18679 2668 1 8 . 1 1 32 32 ALA N N 32 124.536 124.536 123.282 1.254 18679 2669 1 8 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.449 -0.044 18679 2670 1 8 . 1 1 32 32 ALA C C 32 177.706 177.706 176.822 0.884 18679 2671 1 8 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.568 -0.184 18679 2672 1 8 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.120 1.053 18679 2673 1 8 . 1 1 32 32 ALA H H 32 7.902 7.902 7.576 0.326 18679 2674 1 8 . 1 1 33 33 ILE N N 33 121.051 121.051 118.900 2.151 18679 2675 1 8 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.861 -0.020 18679 2676 1 8 . 1 1 33 33 ILE C C 33 175.517 175.517 175.456 0.061 18679 2677 1 8 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.264 0.988 18679 2678 1 8 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.448 -0.464 18679 2679 1 8 . 1 1 33 33 ILE H H 33 7.595 7.595 7.470 0.125 18679 2680 1 8 . 1 1 34 34 GLN N N 34 126.803 126.803 121.693 5.110 18679 2681 1 8 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.300 -0.045 18679 2682 1 8 . 1 1 34 34 GLN C C 34 176.167 176.167 176.461 -0.294 18679 2683 1 8 . 1 1 34 34 GLN CA C 34 55.872 55.872 55.791 0.081 18679 2684 1 8 . 1 1 34 34 GLN CB C 34 29.510 29.510 27.858 1.653 18679 2685 1 8 . 1 1 34 34 GLN H H 34 8.714 8.714 8.813 -0.099 18679 2686 1 8 . 1 1 35 35 GLY N N 35 110.928 110.928 114.190 -3.262 18679 2687 1 8 . 1 1 35 35 GLY C C 35 172.763 172.763 173.148 -0.385 18679 2688 1 8 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.801 0.037 18679 2689 1 8 . 1 1 35 35 GLY H H 35 8.411 8.411 8.691 -0.280 18679 2690 1 8 . 1 1 36 36 ASP N N 36 119.994 119.994 124.983 -4.989 18679 2691 1 8 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.721 0.078 18679 2692 1 8 . 1 1 36 36 ASP C C 36 176.584 176.584 176.316 0.268 18679 2693 1 8 . 1 1 36 36 ASP CA C 36 53.957 53.957 52.971 0.986 18679 2694 1 8 . 1 1 36 36 ASP CB C 36 42.297 42.297 41.692 0.605 18679 2695 1 8 . 1 1 36 36 ASP H H 36 8.319 8.319 7.755 0.564 18679 2696 1 8 . 1 1 37 37 GLY N N 37 108.688 108.688 112.929 -4.241 18679 2697 1 8 . 1 1 37 37 GLY C C 37 176.528 176.528 174.315 2.213 18679 2698 1 8 . 1 1 37 37 GLY CA C 37 44.676 44.676 44.981 -0.305 18679 2699 1 8 . 1 1 37 37 GLY H H 37 8.390 8.390 8.377 0.013 18679 2700 1 8 . 1 1 38 38 PHE N N 38 122.793 122.793 123.330 -0.537 18679 2701 1 8 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.646 0.121 18679 2702 1 8 . 1 1 38 38 PHE C C 38 175.402 175.402 174.946 0.456 18679 2703 1 8 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.147 2.845 18679 2704 1 8 . 1 1 38 38 PHE CB C 38 39.043 39.043 38.620 0.423 18679 2705 1 8 . 1 1 38 38 PHE H H 38 8.423 8.423 8.442 -0.019 18679 2706 1 8 . 1 1 39 39 LYS N N 39 123.349 123.349 123.715 -0.366 18679 2707 1 8 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.602 -0.269 18679 2708 1 8 . 1 1 39 39 LYS C C 39 169.990 169.990 176.335 -6.345 18679 2709 1 8 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.468 0.010 18679 2710 1 8 . 1 1 39 39 LYS CB C 39 32.335 32.335 31.773 0.562 18679 2711 1 8 . 1 1 39 39 LYS H H 39 8.592 8.592 8.146 0.446 18679 2712 1 8 . 1 1 40 40 SER N N 40 113.941 113.941 118.626 -4.685 18679 2713 1 8 . 1 1 40 40 SER HA H 40 3.673 3.673 4.598 -0.925 18679 2714 1 8 . 1 1 40 40 SER CA C 40 57.015 57.015 57.076 -0.061 18679 2715 1 8 . 1 1 40 40 SER CB C 40 64.589 64.589 64.531 0.058 18679 2716 1 8 . 1 1 40 40 SER H H 40 7.444 7.444 8.498 -1.054 18679 2717 1 8 . 1 1 41 41 LEU N N 41 117.107 117.107 122.014 -4.907 18679 2718 1 8 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.325 0.069 18679 2719 1 8 . 1 1 41 41 LEU C C 41 173.917 173.917 175.993 -2.076 18679 2720 1 8 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.968 -1.554 18679 2721 1 8 . 1 1 41 41 LEU CB C 41 46.815 46.815 41.952 4.863 18679 2722 1 8 . 1 1 41 41 LEU H H 41 5.598 5.598 8.261 -2.663 18679 2723 1 8 . 1 1 42 42 ASP N N 42 118.896 118.896 124.061 -5.165 18679 2724 1 8 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.703 0.191 18679 2725 1 8 . 1 1 42 42 ASP C C 42 175.559 175.559 176.020 -0.461 18679 2726 1 8 . 1 1 42 42 ASP CA C 42 52.777 52.777 53.343 -0.566 18679 2727 1 8 . 1 1 42 42 ASP CB C 42 42.970 42.970 43.299 -0.329 18679 2728 1 8 . 1 1 42 42 ASP H H 42 8.156 8.156 8.251 -0.095 18679 2729 1 8 . 1 1 43 43 GLU N N 43 121.023 121.023 124.177 -3.154 18679 2730 1 8 . 1 1 43 43 GLU HA H 43 3.518 3.518 3.917 -0.399 18679 2731 1 8 . 1 1 43 43 GLU C C 43 177.211 177.211 177.091 0.120 18679 2732 1 8 . 1 1 43 43 GLU CA C 43 58.444 58.444 56.877 1.567 18679 2733 1 8 . 1 1 43 43 GLU CB C 43 29.531 29.531 28.461 1.070 18679 2734 1 8 . 1 1 43 43 GLU H H 43 8.689 8.689 8.644 0.045 18679 2735 1 8 . 1 1 44 44 GLY N N 44 113.916 113.916 113.698 0.218 18679 2736 1 8 . 1 1 44 44 GLY C C 44 173.870 173.870 173.512 0.358 18679 2737 1 8 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.808 0.386 18679 2738 1 8 . 1 1 44 44 GLY H H 44 8.971 8.971 9.051 -0.080 18679 2739 1 8 . 1 1 45 45 GLN N N 45 120.533 120.533 119.902 0.631 18679 2740 1 8 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.468 -0.291 18679 2741 1 8 . 1 1 45 45 GLN C C 45 175.454 175.454 174.389 1.065 18679 2742 1 8 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.437 1.668 18679 2743 1 8 . 1 1 45 45 GLN CB C 45 30.398 30.398 31.170 -0.772 18679 2744 1 8 . 1 1 45 45 GLN H H 45 7.634 7.634 7.678 -0.044 18679 2745 1 8 . 1 1 46 46 ALA N N 46 130.118 130.118 129.137 0.981 18679 2746 1 8 . 1 1 46 46 ALA HA H 46 4.933 4.933 4.995 -0.062 18679 2747 1 8 . 1 1 46 46 ALA C C 46 178.148 178.148 176.232 1.916 18679 2748 1 8 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.182 1.024 18679 2749 1 8 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.670 -0.687 18679 2750 1 8 . 1 1 46 46 ALA H H 46 8.894 8.894 8.672 0.222 18679 2751 1 8 . 1 1 47 47 VAL N N 47 114.581 114.581 118.523 -3.942 18679 2752 1 8 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.751 0.657 18679 2753 1 8 . 1 1 47 47 VAL C C 47 175.654 175.654 174.513 1.141 18679 2754 1 8 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.920 -1.048 18679 2755 1 8 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.949 1.180 18679 2756 1 8 . 1 1 47 47 VAL H H 47 8.591 8.591 9.136 -0.545 18679 2757 1 8 . 1 1 48 48 THR N N 48 113.346 113.346 115.787 -2.441 18679 2758 1 8 . 1 1 48 48 THR HA H 48 5.398 5.398 5.070 0.328 18679 2759 1 8 . 1 1 48 48 THR C C 48 177.527 177.527 174.568 2.959 18679 2760 1 8 . 1 1 48 48 THR CA C 48 60.253 60.253 60.110 0.143 18679 2761 1 8 . 1 1 48 48 THR CB C 48 71.323 71.323 68.728 2.595 18679 2762 1 8 . 1 1 48 48 THR H H 48 8.943 8.943 8.440 0.503 18679 2763 1 8 . 1 1 49 49 PHE N N 49 116.531 116.531 123.224 -6.693 18679 2764 1 8 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.702 -0.699 18679 2765 1 8 . 1 1 49 49 PHE C C 49 171.900 171.900 173.655 -1.755 18679 2766 1 8 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.627 1.962 18679 2767 1 8 . 1 1 49 49 PHE CB C 49 39.741 39.741 41.858 -2.117 18679 2768 1 8 . 1 1 49 49 PHE H H 49 8.214 8.214 7.896 0.318 18679 2769 1 8 . 1 1 50 50 ASP N N 50 118.134 118.134 118.879 -0.745 18679 2770 1 8 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.116 0.051 18679 2771 1 8 . 1 1 50 50 ASP C C 50 175.559 175.559 175.017 0.542 18679 2772 1 8 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.309 1.662 18679 2773 1 8 . 1 1 50 50 ASP CB C 50 43.986 43.986 44.846 -0.860 18679 2774 1 8 . 1 1 50 50 ASP H H 50 8.862 8.862 8.350 0.512 18679 2775 1 8 . 1 1 51 51 VAL N N 51 120.815 120.815 122.810 -1.995 18679 2776 1 8 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.388 0.382 18679 2777 1 8 . 1 1 51 51 VAL C C 51 175.378 175.378 174.651 0.727 18679 2778 1 8 . 1 1 51 51 VAL CA C 51 62.046 62.046 61.154 0.892 18679 2779 1 8 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.926 0.928 18679 2780 1 8 . 1 1 51 51 VAL H H 51 8.700 8.700 8.515 0.185 18679 2781 1 8 . 1 1 52 52 GLU N N 52 127.575 127.575 130.161 -2.586 18679 2782 1 8 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.687 0.093 18679 2783 1 8 . 1 1 52 52 GLU C C 52 175.436 175.436 175.401 0.035 18679 2784 1 8 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.330 -0.197 18679 2785 1 8 . 1 1 52 52 GLU CB C 52 32.295 32.295 30.939 1.356 18679 2786 1 8 . 1 1 52 52 GLU H H 52 9.062 9.062 8.886 0.176 18679 2787 1 8 . 1 1 53 53 GLU N N 53 124.119 124.119 125.534 -1.415 18679 2788 1 8 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.741 -0.481 18679 2789 1 8 . 1 1 53 53 GLU C C 53 176.436 176.436 175.859 0.577 18679 2790 1 8 . 1 1 53 53 GLU CA C 53 56.417 56.417 56.159 0.258 18679 2791 1 8 . 1 1 53 53 GLU CB C 53 29.392 29.392 29.562 -0.170 18679 2792 1 8 . 1 1 53 53 GLU H H 53 8.808 8.808 8.951 -0.143 18679 2793 1 8 . 1 1 54 54 GLY N N 54 113.794 113.794 114.273 -0.479 18679 2794 1 8 . 1 1 54 54 GLY C C 54 175.559 175.559 174.954 0.605 18679 2795 1 8 . 1 1 54 54 GLY CA C 54 44.527 44.527 45.322 -0.795 18679 2796 1 8 . 1 1 54 54 GLY H H 54 7.822 7.822 8.827 -1.005 18679 2797 1 8 . 1 1 55 55 GLN N N 55 121.059 121.059 120.430 0.629 18679 2798 1 8 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.344 0.413 18679 2799 1 8 . 1 1 55 55 GLN C C 55 177.419 177.419 176.045 1.374 18679 2800 1 8 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.613 1.011 18679 2801 1 8 . 1 1 55 55 GLN CB C 55 29.233 29.233 29.226 0.007 18679 2802 1 8 . 1 1 55 55 GLN H H 55 8.685 8.685 8.476 0.209 18679 2803 1 8 . 1 1 56 56 ARG N N 56 116.444 116.444 114.774 1.670 18679 2804 1 8 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.541 -0.115 18679 2805 1 8 . 1 1 56 56 ARG C C 56 175.110 175.110 175.804 -0.694 18679 2806 1 8 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.821 -0.985 18679 2807 1 8 . 1 1 56 56 ARG CB C 56 30.092 30.092 29.444 0.648 18679 2808 1 8 . 1 1 56 56 ARG H H 56 8.491 8.491 7.823 0.668 18679 2809 1 8 . 1 1 57 57 GLY N N 57 107.667 107.667 110.364 -2.697 18679 2810 1 8 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.746 -0.545 18679 2811 1 8 . 1 1 57 57 GLY H H 57 7.316 7.316 7.704 -0.388 18679 2812 1 8 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.423 0.387 18679 2813 1 8 . 1 1 58 58 PRO C C 58 176.345 176.345 175.549 0.796 18679 2814 1 8 . 1 1 58 58 PRO CA C 58 63.118 63.118 63.421 -0.303 18679 2815 1 8 . 1 1 58 58 PRO CB C 58 32.517 32.517 30.909 1.608 18679 2816 1 8 . 1 1 59 59 GLN N N 59 121.136 121.136 124.711 -3.575 18679 2817 1 8 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.096 0.063 18679 2818 1 8 . 1 1 59 59 GLN C C 59 173.910 173.910 174.863 -0.953 18679 2819 1 8 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.827 0.457 18679 2820 1 8 . 1 1 59 59 GLN CB C 59 32.688 32.688 32.226 0.462 18679 2821 1 8 . 1 1 59 59 GLN H H 59 9.086 9.086 8.683 0.403 18679 2822 1 8 . 1 1 60 60 ALA N N 60 123.241 123.241 127.937 -4.696 18679 2823 1 8 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.926 -0.048 18679 2824 1 8 . 1 1 60 60 ALA C C 60 176.210 176.210 175.419 0.791 18679 2825 1 8 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.189 0.027 18679 2826 1 8 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.538 0.733 18679 2827 1 8 . 1 1 60 60 ALA H H 60 8.796 8.796 8.574 0.222 18679 2828 1 8 . 1 1 61 61 ALA N N 61 123.741 123.741 125.891 -2.150 18679 2829 1 8 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.658 0.012 18679 2830 1 8 . 1 1 61 61 ALA C C 61 175.840 175.840 175.648 0.192 18679 2831 1 8 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.473 0.395 18679 2832 1 8 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.492 0.571 18679 2833 1 8 . 1 1 61 61 ALA H H 61 9.165 9.165 8.314 0.851 18679 2834 1 8 . 1 1 62 62 ASN N N 62 118.727 118.727 117.329 1.398 18679 2835 1 8 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.368 -0.118 18679 2836 1 8 . 1 1 62 62 ASN C C 62 178.093 178.093 173.773 4.320 18679 2837 1 8 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.068 -0.101 18679 2838 1 8 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.672 0.557 18679 2839 1 8 . 1 1 62 62 ASN H H 62 9.288 9.288 8.537 0.751 18679 2840 1 8 . 1 1 63 63 VAL N N 63 116.869 116.869 119.478 -2.609 18679 2841 1 8 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.230 0.153 18679 2842 1 8 . 1 1 63 63 VAL C C 63 175.378 175.378 174.975 0.403 18679 2843 1 8 . 1 1 63 63 VAL CA C 63 63.116 63.116 61.743 1.373 18679 2844 1 8 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.820 -0.311 18679 2845 1 8 . 1 1 63 63 VAL H H 63 8.129 8.129 8.362 -0.233 18679 2846 1 8 . 1 1 64 64 GLN N N 64 127.534 127.534 129.034 -1.500 18679 2847 1 8 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.472 0.305 18679 2848 1 8 . 1 1 64 64 GLN CA C 64 54.133 54.133 54.262 -0.129 18679 2849 1 8 . 1 1 64 64 GLN CB C 64 32.174 32.174 31.252 0.922 18679 2850 1 8 . 1 1 64 64 GLN H H 64 9.104 9.104 8.864 0.240 18679 2851 1 8 . 1 1 65 65 LYS N N 65 122.593 122.593 124.943 -2.350 18679 2852 1 8 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.209 0.086 18679 2853 1 8 . 1 1 65 65 LYS C C 65 175.520 175.520 176.101 -0.581 18679 2854 1 8 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.371 1.389 18679 2855 1 8 . 1 1 65 65 LYS CB C 65 32.714 32.714 32.350 0.364 18679 2856 1 8 . 1 1 65 65 LYS H H 65 8.637 8.637 8.580 0.057 18679 2857 1 9 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.715 0.211 18679 2858 1 9 . 1 1 2 2 GLU C C 2 173.979 173.979 173.924 0.055 18679 2859 1 9 . 1 1 2 2 GLU CB C 2 26.849 26.849 33.158 -6.309 18679 2860 1 9 . 1 1 3 3 GLN N N 3 116.901 116.901 118.948 -2.047 18679 2861 1 9 . 1 1 3 3 GLN HA H 3 5.150 5.150 5.127 0.023 18679 2862 1 9 . 1 1 3 3 GLN C C 3 175.962 175.962 175.678 0.284 18679 2863 1 9 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.401 -0.277 18679 2864 1 9 . 1 1 3 3 GLN CB C 3 31.938 31.938 29.977 1.961 18679 2865 1 9 . 1 1 3 3 GLN H H 3 8.202 8.202 8.362 -0.160 18679 2866 1 9 . 1 1 4 4 GLY N N 4 108.174 108.174 111.291 -3.117 18679 2867 1 9 . 1 1 4 4 GLY C C 4 172.109 172.109 172.620 -0.511 18679 2868 1 9 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.319 1.294 18679 2869 1 9 . 1 1 4 4 GLY H H 4 8.629 8.629 9.016 -0.387 18679 2870 1 9 . 1 1 5 5 THR N N 5 114.528 114.528 118.336 -3.808 18679 2871 1 9 . 1 1 5 5 THR HA H 5 5.210 5.210 4.973 0.237 18679 2872 1 9 . 1 1 5 5 THR C C 5 173.994 173.994 174.683 -0.689 18679 2873 1 9 . 1 1 5 5 THR CA C 5 60.077 60.077 61.900 -1.823 18679 2874 1 9 . 1 1 5 5 THR CB C 5 71.635 71.635 69.861 1.774 18679 2875 1 9 . 1 1 5 5 THR H H 5 8.417 8.417 8.131 0.286 18679 2876 1 9 . 1 1 6 6 VAL N N 6 125.816 125.816 128.302 -2.486 18679 2877 1 9 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.795 -0.274 18679 2878 1 9 . 1 1 6 6 VAL C C 6 175.620 175.620 175.977 -0.357 18679 2879 1 9 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.932 1.136 18679 2880 1 9 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.513 1.119 18679 2881 1 9 . 1 1 6 6 VAL H H 6 8.908 8.908 9.102 -0.194 18679 2882 1 9 . 1 1 7 7 LYS N N 7 135.919 135.919 128.090 7.829 18679 2883 1 9 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.230 -0.016 18679 2884 1 9 . 1 1 7 7 LYS C C 7 175.913 175.913 176.669 -0.756 18679 2885 1 9 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.054 0.700 18679 2886 1 9 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.711 1.381 18679 2887 1 9 . 1 1 7 7 LYS H H 7 9.260 9.260 8.841 0.419 18679 2888 1 9 . 1 1 8 8 TRP N N 8 110.597 110.597 119.825 -9.228 18679 2889 1 9 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.873 -0.306 18679 2890 1 9 . 1 1 8 8 TRP C C 8 173.327 173.327 175.153 -1.826 18679 2891 1 9 . 1 1 8 8 TRP CA C 8 55.871 55.871 56.425 -0.554 18679 2892 1 9 . 1 1 8 8 TRP CB C 8 30.675 30.675 31.957 -1.282 18679 2893 1 9 . 1 1 8 8 TRP H H 8 7.372 7.372 8.475 -1.103 18679 2894 1 9 . 1 1 9 9 PHE N N 9 120.373 120.373 124.808 -4.435 18679 2895 1 9 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.857 -0.677 18679 2896 1 9 . 1 1 9 9 PHE C C 9 172.561 172.561 174.284 -1.723 18679 2897 1 9 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.828 2.283 18679 2898 1 9 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.191 2.096 18679 2899 1 9 . 1 1 9 9 PHE H H 9 9.265 9.265 8.945 0.320 18679 2900 1 9 . 1 1 10 10 ASN N N 10 127.710 127.710 126.265 1.445 18679 2901 1 9 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.760 0.173 18679 2902 1 9 . 1 1 10 10 ASN C C 10 174.373 174.373 175.012 -0.639 18679 2903 1 9 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.712 -0.814 18679 2904 1 9 . 1 1 10 10 ASN CB C 10 38.909 38.909 36.911 1.998 18679 2905 1 9 . 1 1 10 10 ASN H H 10 8.223 8.223 8.304 -0.081 18679 2906 1 9 . 1 1 11 11 ALA N N 11 129.186 129.186 124.812 4.374 18679 2907 1 9 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.808 0.494 18679 2908 1 9 . 1 1 11 11 ALA C C 11 176.087 176.087 178.251 -2.164 18679 2909 1 9 . 1 1 11 11 ALA CA C 11 53.809 53.809 55.045 -1.236 18679 2910 1 9 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.663 0.038 18679 2911 1 9 . 1 1 11 11 ALA H H 11 9.119 9.119 7.466 1.653 18679 2912 1 9 . 1 1 12 12 GLU N N 12 116.366 116.366 115.951 0.415 18679 2913 1 9 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.080 -0.057 18679 2914 1 9 . 1 1 12 12 GLU C C 12 175.119 175.119 177.280 -2.161 18679 2915 1 9 . 1 1 12 12 GLU CA C 12 58.448 58.448 57.731 0.717 18679 2916 1 9 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.358 -0.202 18679 2917 1 9 . 1 1 12 12 GLU H H 12 8.082 8.082 8.416 -0.334 18679 2918 1 9 . 1 1 13 13 LYS N N 13 113.821 113.821 117.678 -3.857 18679 2919 1 9 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.344 -0.032 18679 2920 1 9 . 1 1 13 13 LYS C C 13 177.130 177.130 177.337 -0.207 18679 2921 1 9 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.673 1.139 18679 2922 1 9 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.086 1.528 18679 2923 1 9 . 1 1 13 13 LYS H H 13 7.273 7.273 7.256 0.017 18679 2924 1 9 . 1 1 14 14 GLY N N 14 105.929 105.929 108.390 -2.461 18679 2925 1 9 . 1 1 14 14 GLY C C 14 172.485 172.485 173.614 -1.129 18679 2926 1 9 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.255 1.499 18679 2927 1 9 . 1 1 14 14 GLY H H 14 8.370 8.370 8.400 -0.030 18679 2928 1 9 . 1 1 15 15 PHE N N 15 112.060 112.060 114.857 -2.797 18679 2929 1 9 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.254 -0.440 18679 2930 1 9 . 1 1 15 15 PHE C C 15 171.414 171.414 172.814 -1.400 18679 2931 1 9 . 1 1 15 15 PHE CA C 15 53.720 53.720 56.186 -2.466 18679 2932 1 9 . 1 1 15 15 PHE CB C 15 42.723 42.723 40.227 2.496 18679 2933 1 9 . 1 1 15 15 PHE H H 15 6.572 6.572 7.577 -1.005 18679 2934 1 9 . 1 1 16 16 GLY N N 16 105.419 105.419 105.106 0.313 18679 2935 1 9 . 1 1 16 16 GLY C C 16 173.812 173.812 171.342 2.470 18679 2936 1 9 . 1 1 16 16 GLY CA C 16 44.912 44.912 44.445 0.467 18679 2937 1 9 . 1 1 16 16 GLY H H 16 7.851 7.851 7.942 -0.091 18679 2938 1 9 . 1 1 17 17 PHE N N 17 115.154 115.154 118.199 -3.045 18679 2939 1 9 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.633 -0.625 18679 2940 1 9 . 1 1 17 17 PHE C C 17 174.568 174.568 174.873 -0.305 18679 2941 1 9 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.670 0.054 18679 2942 1 9 . 1 1 17 17 PHE CB C 17 45.189 45.189 43.567 1.622 18679 2943 1 9 . 1 1 17 17 PHE H H 17 7.800 7.800 9.072 -1.272 18679 2944 1 9 . 1 1 18 18 ILE N N 18 122.756 122.756 123.587 -0.831 18679 2945 1 9 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.776 -0.715 18679 2946 1 9 . 1 1 18 18 ILE C C 18 174.459 174.459 175.336 -0.877 18679 2947 1 9 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.248 -0.092 18679 2948 1 9 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.477 0.902 18679 2949 1 9 . 1 1 18 18 ILE H H 18 9.337 9.337 9.062 0.275 18679 2950 1 9 . 1 1 19 19 GLU N N 19 126.777 126.777 127.718 -0.941 18679 2951 1 9 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.867 0.048 18679 2952 1 9 . 1 1 19 19 GLU C C 19 175.169 175.169 175.412 -0.243 18679 2953 1 9 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.258 -0.278 18679 2954 1 9 . 1 1 19 19 GLU CB C 19 32.204 32.204 31.593 0.611 18679 2955 1 9 . 1 1 19 19 GLU H H 19 9.294 9.294 8.712 0.582 18679 2956 1 9 . 1 1 20 20 ARG N N 20 123.573 123.573 124.938 -1.365 18679 2957 1 9 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.713 -0.693 18679 2958 1 9 . 1 1 20 20 ARG C C 20 176.345 176.345 176.165 0.180 18679 2959 1 9 . 1 1 20 20 ARG CA C 20 55.406 55.406 55.361 0.045 18679 2960 1 9 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.882 0.748 18679 2961 1 9 . 1 1 20 20 ARG H H 20 9.290 9.290 8.129 1.161 18679 2962 1 9 . 1 1 21 21 GLU N N 21 121.542 121.542 126.412 -4.870 18679 2963 1 9 . 1 1 21 21 GLU HA H 21 4.100 4.100 3.862 0.238 18679 2964 1 9 . 1 1 21 21 GLU C C 21 177.265 177.265 177.074 0.191 18679 2965 1 9 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.042 -0.248 18679 2966 1 9 . 1 1 21 21 GLU CB C 21 29.908 29.908 27.718 2.189 18679 2967 1 9 . 1 1 21 21 GLU H H 21 9.066 9.066 9.224 -0.158 18679 2968 1 9 . 1 1 22 22 ASN N N 22 115.336 115.336 118.991 -3.655 18679 2969 1 9 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.601 0.147 18679 2970 1 9 . 1 1 22 22 ASN C C 22 174.806 174.806 175.938 -1.132 18679 2971 1 9 . 1 1 22 22 ASN CA C 22 53.129 53.129 53.531 -0.402 18679 2972 1 9 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.857 0.163 18679 2973 1 9 . 1 1 22 22 ASN H H 22 8.257 8.257 8.542 -0.285 18679 2974 1 9 . 1 1 23 23 GLY N N 23 107.564 107.564 105.718 1.846 18679 2975 1 9 . 1 1 23 23 GLY C C 23 172.948 172.948 173.886 -0.938 18679 2976 1 9 . 1 1 23 23 GLY CA C 23 44.696 44.696 44.790 -0.094 18679 2977 1 9 . 1 1 23 23 GLY H H 23 7.866 7.866 7.662 0.204 18679 2978 1 9 . 1 1 24 24 ASP N N 24 120.038 120.038 122.284 -2.246 18679 2979 1 9 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.594 0.034 18679 2980 1 9 . 1 1 24 24 ASP C C 24 175.559 175.559 175.793 -0.234 18679 2981 1 9 . 1 1 24 24 ASP CA C 24 54.453 54.453 54.478 -0.026 18679 2982 1 9 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.733 0.811 18679 2983 1 9 . 1 1 24 24 ASP H H 24 8.370 8.370 7.873 0.497 18679 2984 1 9 . 1 1 25 25 ASP N N 25 120.666 120.666 127.550 -6.884 18679 2985 1 9 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.819 0.102 18679 2986 1 9 . 1 1 25 25 ASP C C 25 176.258 176.258 175.969 0.289 18679 2987 1 9 . 1 1 25 25 ASP CA C 25 54.973 54.973 54.744 0.229 18679 2988 1 9 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.419 2.069 18679 2989 1 9 . 1 1 25 25 ASP H H 25 8.698 8.698 8.153 0.545 18679 2990 1 9 . 1 1 26 26 VAL N N 26 120.541 120.541 123.210 -2.669 18679 2991 1 9 . 1 1 26 26 VAL HA H 26 4.346 4.346 3.995 0.351 18679 2992 1 9 . 1 1 26 26 VAL C C 26 174.724 174.724 175.769 -1.045 18679 2993 1 9 . 1 1 26 26 VAL CA C 26 60.847 60.847 62.582 -1.735 18679 2994 1 9 . 1 1 26 26 VAL CB C 26 34.500 34.500 31.878 2.623 18679 2995 1 9 . 1 1 26 26 VAL H H 26 9.365 9.365 8.787 0.579 18679 2996 1 9 . 1 1 27 27 PHE N N 27 130.752 130.752 129.944 0.808 18679 2997 1 9 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.672 -1.142 18679 2998 1 9 . 1 1 27 27 PHE C C 27 172.517 172.517 173.782 -1.265 18679 2999 1 9 . 1 1 27 27 PHE CA C 27 58.978 58.978 56.985 1.993 18679 3000 1 9 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.464 -0.530 18679 3001 1 9 . 1 1 27 27 PHE H H 27 8.335 8.335 8.554 -0.219 18679 3002 1 9 . 1 1 28 28 VAL N N 28 124.530 124.530 126.232 -1.702 18679 3003 1 9 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.128 0.265 18679 3004 1 9 . 1 1 28 28 VAL C C 28 170.556 170.556 172.871 -2.315 18679 3005 1 9 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.293 -1.587 18679 3006 1 9 . 1 1 28 28 VAL CB C 28 34.597 34.597 36.110 -1.513 18679 3007 1 9 . 1 1 28 28 VAL H H 28 7.411 7.411 7.839 -0.428 18679 3008 1 9 . 1 1 29 29 HIS N N 29 127.448 127.448 124.412 3.036 18679 3009 1 9 . 1 1 29 29 HIS HA H 29 4.559 4.559 4.739 -0.180 18679 3010 1 9 . 1 1 29 29 HIS C C 29 177.582 177.582 175.936 1.646 18679 3011 1 9 . 1 1 29 29 HIS CA C 29 55.739 55.739 53.991 1.748 18679 3012 1 9 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.649 0.893 18679 3013 1 9 . 1 1 29 29 HIS H H 29 8.561 8.561 8.543 0.018 18679 3014 1 9 . 1 1 30 30 PHE N N 30 122.691 122.691 120.743 1.948 18679 3015 1 9 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.281 -0.419 18679 3016 1 9 . 1 1 30 30 PHE CA C 30 59.990 59.990 61.045 -1.055 18679 3017 1 9 . 1 1 30 30 PHE CB C 30 36.480 36.480 39.076 -2.596 18679 3018 1 9 . 1 1 30 30 PHE H H 30 7.970 7.970 9.140 -1.170 18679 3019 1 9 . 1 1 31 31 SER N N 31 118.356 118.356 113.278 5.078 18679 3020 1 9 . 1 1 31 31 SER HA H 31 3.858 3.858 4.282 -0.424 18679 3021 1 9 . 1 1 31 31 SER C C 31 175.382 175.382 175.477 -0.095 18679 3022 1 9 . 1 1 31 31 SER CA C 31 59.761 59.761 60.115 -0.354 18679 3023 1 9 . 1 1 31 31 SER CB C 31 62.630 62.630 63.272 -0.642 18679 3024 1 9 . 1 1 31 31 SER H H 31 7.623 7.623 8.374 -0.751 18679 3025 1 9 . 1 1 32 32 ALA N N 32 124.536 124.536 122.391 2.145 18679 3026 1 9 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.541 -0.136 18679 3027 1 9 . 1 1 32 32 ALA C C 32 177.706 177.706 177.022 0.684 18679 3028 1 9 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.171 0.213 18679 3029 1 9 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.177 0.997 18679 3030 1 9 . 1 1 32 32 ALA H H 32 7.902 7.902 7.548 0.354 18679 3031 1 9 . 1 1 33 33 ILE N N 33 121.051 121.051 119.502 1.549 18679 3032 1 9 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.925 -0.084 18679 3033 1 9 . 1 1 33 33 ILE C C 33 175.517 175.517 175.241 0.276 18679 3034 1 9 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.106 1.146 18679 3035 1 9 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.622 -0.638 18679 3036 1 9 . 1 1 33 33 ILE H H 33 7.595 7.595 7.430 0.165 18679 3037 1 9 . 1 1 34 34 GLN N N 34 126.803 126.803 123.529 3.274 18679 3038 1 9 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.333 -0.078 18679 3039 1 9 . 1 1 34 34 GLN C C 34 176.167 176.167 175.949 0.218 18679 3040 1 9 . 1 1 34 34 GLN CA C 34 55.872 55.872 56.046 -0.174 18679 3041 1 9 . 1 1 34 34 GLN CB C 34 29.510 29.510 27.766 1.744 18679 3042 1 9 . 1 1 34 34 GLN H H 34 8.714 8.714 8.492 0.222 18679 3043 1 9 . 1 1 35 35 GLY N N 35 110.928 110.928 114.305 -3.377 18679 3044 1 9 . 1 1 35 35 GLY C C 35 172.763 172.763 173.102 -0.339 18679 3045 1 9 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.467 0.371 18679 3046 1 9 . 1 1 35 35 GLY H H 35 8.411 8.411 8.501 -0.090 18679 3047 1 9 . 1 1 36 36 ASP N N 36 119.994 119.994 126.038 -6.044 18679 3048 1 9 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.506 0.293 18679 3049 1 9 . 1 1 36 36 ASP C C 36 176.584 176.584 176.727 -0.143 18679 3050 1 9 . 1 1 36 36 ASP CA C 36 53.957 53.957 55.006 -1.049 18679 3051 1 9 . 1 1 36 36 ASP CB C 36 42.297 42.297 39.993 2.304 18679 3052 1 9 . 1 1 36 36 ASP H H 36 8.319 8.319 7.728 0.591 18679 3053 1 9 . 1 1 37 37 GLY N N 37 108.688 108.688 111.736 -3.048 18679 3054 1 9 . 1 1 37 37 GLY C C 37 176.528 176.528 174.070 2.458 18679 3055 1 9 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.746 -1.070 18679 3056 1 9 . 1 1 37 37 GLY H H 37 8.390 8.390 8.086 0.304 18679 3057 1 9 . 1 1 38 38 PHE N N 38 122.793 122.793 124.858 -2.065 18679 3058 1 9 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.748 0.019 18679 3059 1 9 . 1 1 38 38 PHE C C 38 175.402 175.402 175.154 0.248 18679 3060 1 9 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.642 2.350 18679 3061 1 9 . 1 1 38 38 PHE CB C 38 39.043 39.043 38.806 0.237 18679 3062 1 9 . 1 1 38 38 PHE H H 38 8.423 8.423 8.126 0.297 18679 3063 1 9 . 1 1 39 39 LYS N N 39 123.349 123.349 126.035 -2.686 18679 3064 1 9 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.770 -0.437 18679 3065 1 9 . 1 1 39 39 LYS C C 39 169.990 169.990 175.428 -5.438 18679 3066 1 9 . 1 1 39 39 LYS CA C 39 55.478 55.478 54.788 0.690 18679 3067 1 9 . 1 1 39 39 LYS CB C 39 32.335 32.335 35.233 -2.898 18679 3068 1 9 . 1 1 39 39 LYS H H 39 8.592 8.592 8.513 0.079 18679 3069 1 9 . 1 1 40 40 SER N N 40 113.941 113.941 117.501 -3.560 18679 3070 1 9 . 1 1 40 40 SER HA H 40 3.673 3.673 4.816 -1.143 18679 3071 1 9 . 1 1 40 40 SER CA C 40 57.015 57.015 57.717 -0.702 18679 3072 1 9 . 1 1 40 40 SER CB C 40 64.589 64.589 65.156 -0.567 18679 3073 1 9 . 1 1 40 40 SER H H 40 7.444 7.444 8.506 -1.062 18679 3074 1 9 . 1 1 41 41 LEU N N 41 117.107 117.107 124.744 -7.637 18679 3075 1 9 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.194 0.200 18679 3076 1 9 . 1 1 41 41 LEU C C 41 173.917 173.917 176.055 -2.138 18679 3077 1 9 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.667 -1.253 18679 3078 1 9 . 1 1 41 41 LEU CB C 41 46.815 46.815 42.429 4.386 18679 3079 1 9 . 1 1 41 41 LEU H H 41 5.598 5.598 7.371 -1.773 18679 3080 1 9 . 1 1 42 42 ASP N N 42 118.896 118.896 121.099 -2.203 18679 3081 1 9 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.514 0.380 18679 3082 1 9 . 1 1 42 42 ASP C C 42 175.559 175.559 175.525 0.034 18679 3083 1 9 . 1 1 42 42 ASP CA C 42 52.777 52.777 52.789 -0.012 18679 3084 1 9 . 1 1 42 42 ASP CB C 42 42.970 42.970 42.749 0.221 18679 3085 1 9 . 1 1 42 42 ASP H H 42 8.156 8.156 8.279 -0.123 18679 3086 1 9 . 1 1 43 43 GLU N N 43 121.023 121.023 123.755 -2.732 18679 3087 1 9 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.089 -0.571 18679 3088 1 9 . 1 1 43 43 GLU C C 43 177.211 177.211 176.546 0.665 18679 3089 1 9 . 1 1 43 43 GLU CA C 43 58.444 58.444 57.697 0.747 18679 3090 1 9 . 1 1 43 43 GLU CB C 43 29.531 29.531 28.657 0.874 18679 3091 1 9 . 1 1 43 43 GLU H H 43 8.689 8.689 8.753 -0.064 18679 3092 1 9 . 1 1 44 44 GLY N N 44 113.916 113.916 113.707 0.209 18679 3093 1 9 . 1 1 44 44 GLY C C 44 173.870 173.870 173.895 -0.025 18679 3094 1 9 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.629 0.565 18679 3095 1 9 . 1 1 44 44 GLY H H 44 8.971 8.971 8.907 0.064 18679 3096 1 9 . 1 1 45 45 GLN N N 45 120.533 120.533 120.647 -0.114 18679 3097 1 9 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.418 -0.241 18679 3098 1 9 . 1 1 45 45 GLN C C 45 175.454 175.454 174.638 0.816 18679 3099 1 9 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.524 1.581 18679 3100 1 9 . 1 1 45 45 GLN CB C 45 30.398 30.398 30.281 0.117 18679 3101 1 9 . 1 1 45 45 GLN H H 45 7.634 7.634 7.886 -0.252 18679 3102 1 9 . 1 1 46 46 ALA N N 46 130.118 130.118 129.105 1.013 18679 3103 1 9 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.278 -0.345 18679 3104 1 9 . 1 1 46 46 ALA C C 46 178.148 178.148 176.507 1.641 18679 3105 1 9 . 1 1 46 46 ALA CA C 46 52.206 52.206 50.755 1.451 18679 3106 1 9 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.841 -0.858 18679 3107 1 9 . 1 1 46 46 ALA H H 46 8.894 8.894 8.594 0.300 18679 3108 1 9 . 1 1 47 47 VAL N N 47 114.581 114.581 117.437 -2.856 18679 3109 1 9 . 1 1 47 47 VAL HA H 47 5.408 5.408 5.133 0.275 18679 3110 1 9 . 1 1 47 47 VAL C C 47 175.654 175.654 174.487 1.167 18679 3111 1 9 . 1 1 47 47 VAL CA C 47 58.872 58.872 58.893 -0.021 18679 3112 1 9 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.463 1.666 18679 3113 1 9 . 1 1 47 47 VAL H H 47 8.591 8.591 9.215 -0.624 18679 3114 1 9 . 1 1 48 48 THR N N 48 113.346 113.346 113.843 -0.497 18679 3115 1 9 . 1 1 48 48 THR HA H 48 5.398 5.398 5.231 0.167 18679 3116 1 9 . 1 1 48 48 THR C C 48 177.527 177.527 174.235 3.292 18679 3117 1 9 . 1 1 48 48 THR CA C 48 60.253 60.253 60.318 -0.065 18679 3118 1 9 . 1 1 48 48 THR CB C 48 71.323 71.323 69.672 1.651 18679 3119 1 9 . 1 1 48 48 THR H H 48 8.943 8.943 8.784 0.159 18679 3120 1 9 . 1 1 49 49 PHE N N 49 116.531 116.531 121.658 -5.127 18679 3121 1 9 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.765 -0.762 18679 3122 1 9 . 1 1 49 49 PHE C C 49 171.900 171.900 173.062 -1.162 18679 3123 1 9 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.979 1.610 18679 3124 1 9 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.611 -2.870 18679 3125 1 9 . 1 1 49 49 PHE H H 49 8.214 8.214 8.585 -0.371 18679 3126 1 9 . 1 1 50 50 ASP N N 50 118.134 118.134 120.690 -2.556 18679 3127 1 9 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.124 0.043 18679 3128 1 9 . 1 1 50 50 ASP C C 50 175.559 175.559 175.777 -0.218 18679 3129 1 9 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.405 1.566 18679 3130 1 9 . 1 1 50 50 ASP CB C 50 43.986 43.986 42.990 0.996 18679 3131 1 9 . 1 1 50 50 ASP H H 50 8.862 8.862 8.429 0.433 18679 3132 1 9 . 1 1 51 51 VAL N N 51 120.815 120.815 126.116 -5.301 18679 3133 1 9 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.076 0.694 18679 3134 1 9 . 1 1 51 51 VAL C C 51 175.378 175.378 175.090 0.288 18679 3135 1 9 . 1 1 51 51 VAL CA C 51 62.046 62.046 63.286 -1.240 18679 3136 1 9 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.193 1.661 18679 3137 1 9 . 1 1 51 51 VAL H H 51 8.700 8.700 8.173 0.527 18679 3138 1 9 . 1 1 52 52 GLU N N 52 127.575 127.575 130.084 -2.509 18679 3139 1 9 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.507 0.273 18679 3140 1 9 . 1 1 52 52 GLU C C 52 175.436 175.436 175.332 0.104 18679 3141 1 9 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.841 -0.708 18679 3142 1 9 . 1 1 52 52 GLU CB C 52 32.295 32.295 31.189 1.106 18679 3143 1 9 . 1 1 52 52 GLU H H 52 9.062 9.062 9.138 -0.076 18679 3144 1 9 . 1 1 53 53 GLU N N 53 124.119 124.119 128.092 -3.973 18679 3145 1 9 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.470 -0.210 18679 3146 1 9 . 1 1 53 53 GLU C C 53 176.436 176.436 175.966 0.470 18679 3147 1 9 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.584 0.833 18679 3148 1 9 . 1 1 53 53 GLU CB C 53 29.392 29.392 29.894 -0.502 18679 3149 1 9 . 1 1 53 53 GLU H H 53 8.808 8.808 8.791 0.017 18679 3150 1 9 . 1 1 54 54 GLY N N 54 113.794 113.794 111.846 1.948 18679 3151 1 9 . 1 1 54 54 GLY C C 54 175.559 175.559 174.306 1.253 18679 3152 1 9 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.519 0.008 18679 3153 1 9 . 1 1 54 54 GLY H H 54 7.822 7.822 7.951 -0.129 18679 3154 1 9 . 1 1 55 55 GLN N N 55 121.059 121.059 119.363 1.696 18679 3155 1 9 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.270 0.487 18679 3156 1 9 . 1 1 55 55 GLN C C 55 177.419 177.419 177.168 0.251 18679 3157 1 9 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.820 0.804 18679 3158 1 9 . 1 1 55 55 GLN CB C 55 29.233 29.233 29.166 0.066 18679 3159 1 9 . 1 1 55 55 GLN H H 55 8.685 8.685 8.656 0.029 18679 3160 1 9 . 1 1 56 56 ARG N N 56 116.444 116.444 121.125 -4.681 18679 3161 1 9 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.417 0.009 18679 3162 1 9 . 1 1 56 56 ARG C C 56 175.110 175.110 176.303 -1.193 18679 3163 1 9 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.414 -0.578 18679 3164 1 9 . 1 1 56 56 ARG CB C 56 30.092 30.092 29.365 0.727 18679 3165 1 9 . 1 1 56 56 ARG H H 56 8.491 8.491 8.242 0.249 18679 3166 1 9 . 1 1 57 57 GLY N N 57 107.667 107.667 112.956 -5.289 18679 3167 1 9 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.320 -0.119 18679 3168 1 9 . 1 1 57 57 GLY H H 57 7.316 7.316 7.986 -0.670 18679 3169 1 9 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.975 -0.165 18679 3170 1 9 . 1 1 58 58 PRO C C 58 176.345 176.345 175.467 0.878 18679 3171 1 9 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.253 0.865 18679 3172 1 9 . 1 1 58 58 PRO CB C 58 32.517 32.517 32.286 0.231 18679 3173 1 9 . 1 1 59 59 GLN N N 59 121.136 121.136 122.659 -1.523 18679 3174 1 9 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.486 -0.326 18679 3175 1 9 . 1 1 59 59 GLN C C 59 173.910 173.910 175.074 -1.164 18679 3176 1 9 . 1 1 59 59 GLN CA C 59 54.284 54.284 52.954 1.330 18679 3177 1 9 . 1 1 59 59 GLN CB C 59 32.688 32.688 31.038 1.649 18679 3178 1 9 . 1 1 59 59 GLN H H 59 9.086 9.086 9.001 0.085 18679 3179 1 9 . 1 1 60 60 ALA N N 60 123.241 123.241 127.596 -4.355 18679 3180 1 9 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.631 0.247 18679 3181 1 9 . 1 1 60 60 ALA C C 60 176.210 176.210 175.654 0.556 18679 3182 1 9 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.470 -0.254 18679 3183 1 9 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.206 1.065 18679 3184 1 9 . 1 1 60 60 ALA H H 60 8.796 8.796 8.632 0.164 18679 3185 1 9 . 1 1 61 61 ALA N N 61 123.741 123.741 126.723 -2.982 18679 3186 1 9 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.628 0.042 18679 3187 1 9 . 1 1 61 61 ALA C C 61 175.840 175.840 176.300 -0.460 18679 3188 1 9 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.458 0.410 18679 3189 1 9 . 1 1 61 61 ALA CB C 61 23.063 23.063 21.863 1.200 18679 3190 1 9 . 1 1 61 61 ALA H H 61 9.165 9.165 8.976 0.189 18679 3191 1 9 . 1 1 62 62 ASN N N 62 118.727 118.727 119.010 -0.283 18679 3192 1 9 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.440 -0.190 18679 3193 1 9 . 1 1 62 62 ASN C C 62 178.093 178.093 173.682 4.411 18679 3194 1 9 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.115 -0.149 18679 3195 1 9 . 1 1 62 62 ASN CB C 62 37.229 37.229 37.555 -0.326 18679 3196 1 9 . 1 1 62 62 ASN H H 62 9.288 9.288 8.904 0.384 18679 3197 1 9 . 1 1 63 63 VAL N N 63 116.869 116.869 122.877 -6.008 18679 3198 1 9 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.382 0.001 18679 3199 1 9 . 1 1 63 63 VAL C C 63 175.378 175.378 174.625 0.753 18679 3200 1 9 . 1 1 63 63 VAL CA C 63 63.116 63.116 61.954 1.162 18679 3201 1 9 . 1 1 63 63 VAL CB C 63 31.509 31.509 32.034 -0.525 18679 3202 1 9 . 1 1 63 63 VAL H H 63 8.129 8.129 8.045 0.084 18679 3203 1 9 . 1 1 64 64 GLN N N 64 127.534 127.534 127.338 0.196 18679 3204 1 9 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.633 0.144 18679 3205 1 9 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.536 0.597 18679 3206 1 9 . 1 1 64 64 GLN CB C 64 32.174 32.174 32.589 -0.415 18679 3207 1 9 . 1 1 64 64 GLN H H 64 9.104 9.104 8.910 0.194 18679 3208 1 9 . 1 1 65 65 LYS N N 65 122.593 122.593 121.162 1.431 18679 3209 1 9 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.367 -0.072 18679 3210 1 9 . 1 1 65 65 LYS C C 65 175.520 175.520 175.763 -0.243 18679 3211 1 9 . 1 1 65 65 LYS CA C 65 57.760 57.760 55.359 2.401 18679 3212 1 9 . 1 1 65 65 LYS CB C 65 32.714 32.714 34.372 -1.658 18679 3213 1 9 . 1 1 65 65 LYS H H 65 8.637 8.637 8.425 0.212 18679 3214 1 10 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.317 0.609 18679 3215 1 10 . 1 1 2 2 GLU C C 2 173.979 173.979 174.938 -0.959 18679 3216 1 10 . 1 1 2 2 GLU CB C 2 26.849 26.849 29.066 -2.217 18679 3217 1 10 . 1 1 3 3 GLN N N 3 116.901 116.901 123.705 -6.804 18679 3218 1 10 . 1 1 3 3 GLN HA H 3 5.150 5.150 5.018 0.132 18679 3219 1 10 . 1 1 3 3 GLN C C 3 175.962 175.962 175.097 0.865 18679 3220 1 10 . 1 1 3 3 GLN CA C 3 54.124 54.124 53.690 0.434 18679 3221 1 10 . 1 1 3 3 GLN CB C 3 31.938 31.938 32.193 -0.255 18679 3222 1 10 . 1 1 3 3 GLN H H 3 8.202 8.202 8.203 -0.001 18679 3223 1 10 . 1 1 4 4 GLY N N 4 108.174 108.174 107.433 0.741 18679 3224 1 10 . 1 1 4 4 GLY C C 4 172.109 172.109 172.362 -0.253 18679 3225 1 10 . 1 1 4 4 GLY CA C 4 45.614 45.614 45.480 0.134 18679 3226 1 10 . 1 1 4 4 GLY H H 4 8.629 8.629 9.042 -0.413 18679 3227 1 10 . 1 1 5 5 THR N N 5 114.528 114.528 117.590 -3.062 18679 3228 1 10 . 1 1 5 5 THR HA H 5 5.210 5.210 5.075 0.135 18679 3229 1 10 . 1 1 5 5 THR C C 5 173.994 173.994 174.989 -0.995 18679 3230 1 10 . 1 1 5 5 THR CA C 5 60.077 60.077 61.662 -1.585 18679 3231 1 10 . 1 1 5 5 THR CB C 5 71.635 71.635 70.453 1.182 18679 3232 1 10 . 1 1 5 5 THR H H 5 8.417 8.417 8.221 0.196 18679 3233 1 10 . 1 1 6 6 VAL N N 6 125.816 125.816 127.312 -1.496 18679 3234 1 10 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.722 -0.201 18679 3235 1 10 . 1 1 6 6 VAL C C 6 175.620 175.620 176.111 -0.491 18679 3236 1 10 . 1 1 6 6 VAL CA C 6 65.068 65.068 64.157 0.911 18679 3237 1 10 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.945 0.687 18679 3238 1 10 . 1 1 6 6 VAL H H 6 8.908 8.908 8.813 0.095 18679 3239 1 10 . 1 1 7 7 LYS N N 7 135.919 135.919 128.899 7.020 18679 3240 1 10 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.130 0.084 18679 3241 1 10 . 1 1 7 7 LYS C C 7 175.913 175.913 176.187 -0.274 18679 3242 1 10 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.364 0.391 18679 3243 1 10 . 1 1 7 7 LYS CB C 7 35.092 35.092 32.956 2.136 18679 3244 1 10 . 1 1 7 7 LYS H H 7 9.260 9.260 8.009 1.251 18679 3245 1 10 . 1 1 8 8 TRP N N 8 110.597 110.597 115.603 -5.006 18679 3246 1 10 . 1 1 8 8 TRP HA H 8 4.567 4.567 5.123 -0.556 18679 3247 1 10 . 1 1 8 8 TRP C C 8 173.327 173.327 173.849 -0.522 18679 3248 1 10 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.455 0.416 18679 3249 1 10 . 1 1 8 8 TRP CB C 8 30.675 30.675 30.057 0.618 18679 3250 1 10 . 1 1 8 8 TRP H H 8 7.372 7.372 7.377 -0.005 18679 3251 1 10 . 1 1 9 9 PHE N N 9 120.373 120.373 119.452 0.921 18679 3252 1 10 . 1 1 9 9 PHE HA H 9 4.180 4.180 5.048 -0.868 18679 3253 1 10 . 1 1 9 9 PHE C C 9 172.561 172.561 173.826 -1.265 18679 3254 1 10 . 1 1 9 9 PHE CA C 9 59.110 59.110 55.714 3.396 18679 3255 1 10 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.553 1.734 18679 3256 1 10 . 1 1 9 9 PHE H H 9 9.265 9.265 8.364 0.901 18679 3257 1 10 . 1 1 10 10 ASN N N 10 127.710 127.710 124.580 3.130 18679 3258 1 10 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.595 0.338 18679 3259 1 10 . 1 1 10 10 ASN C C 10 174.373 174.373 175.013 -0.640 18679 3260 1 10 . 1 1 10 10 ASN CA C 10 51.898 51.898 51.120 0.778 18679 3261 1 10 . 1 1 10 10 ASN CB C 10 38.909 38.909 38.113 0.796 18679 3262 1 10 . 1 1 10 10 ASN H H 10 8.223 8.223 8.419 -0.196 18679 3263 1 10 . 1 1 11 11 ALA N N 11 129.186 129.186 128.289 0.897 18679 3264 1 10 . 1 1 11 11 ALA HA H 11 4.303 4.303 4.028 0.275 18679 3265 1 10 . 1 1 11 11 ALA C C 11 176.087 176.087 179.309 -3.222 18679 3266 1 10 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.811 -1.002 18679 3267 1 10 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.603 0.098 18679 3268 1 10 . 1 1 11 11 ALA H H 11 9.119 9.119 7.961 1.158 18679 3269 1 10 . 1 1 12 12 GLU N N 12 116.366 116.366 117.589 -1.223 18679 3270 1 10 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.007 0.016 18679 3271 1 10 . 1 1 12 12 GLU C C 12 175.119 175.119 178.246 -3.127 18679 3272 1 10 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.312 0.136 18679 3273 1 10 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.359 -0.203 18679 3274 1 10 . 1 1 12 12 GLU H H 12 8.082 8.082 8.034 0.048 18679 3275 1 10 . 1 1 13 13 LYS N N 13 113.821 113.821 116.637 -2.816 18679 3276 1 10 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.269 0.043 18679 3277 1 10 . 1 1 13 13 LYS C C 13 177.130 177.130 176.891 0.239 18679 3278 1 10 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.462 1.350 18679 3279 1 10 . 1 1 13 13 LYS CB C 13 34.614 34.614 32.796 1.818 18679 3280 1 10 . 1 1 13 13 LYS H H 13 7.273 7.273 7.638 -0.365 18679 3281 1 10 . 1 1 14 14 GLY N N 14 105.929 105.929 106.603 -0.674 18679 3282 1 10 . 1 1 14 14 GLY C C 14 172.485 172.485 173.255 -0.770 18679 3283 1 10 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.372 1.382 18679 3284 1 10 . 1 1 14 14 GLY H H 14 8.370 8.370 7.778 0.592 18679 3285 1 10 . 1 1 15 15 PHE N N 15 112.060 112.060 114.909 -2.849 18679 3286 1 10 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.443 -0.629 18679 3287 1 10 . 1 1 15 15 PHE C C 15 171.414 171.414 173.080 -1.666 18679 3288 1 10 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.307 -1.587 18679 3289 1 10 . 1 1 15 15 PHE CB C 15 42.723 42.723 40.543 2.180 18679 3290 1 10 . 1 1 15 15 PHE H H 15 6.572 6.572 7.435 -0.863 18679 3291 1 10 . 1 1 16 16 GLY N N 16 105.419 105.419 106.648 -1.229 18679 3292 1 10 . 1 1 16 16 GLY C C 16 173.812 173.812 171.498 2.314 18679 3293 1 10 . 1 1 16 16 GLY CA C 16 44.912 44.912 43.625 1.287 18679 3294 1 10 . 1 1 16 16 GLY H H 16 7.851 7.851 8.734 -0.883 18679 3295 1 10 . 1 1 17 17 PHE N N 17 115.154 115.154 117.430 -2.276 18679 3296 1 10 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.645 -0.637 18679 3297 1 10 . 1 1 17 17 PHE C C 17 174.568 174.568 174.850 -0.282 18679 3298 1 10 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.463 0.261 18679 3299 1 10 . 1 1 17 17 PHE CB C 17 45.189 45.189 43.308 1.881 18679 3300 1 10 . 1 1 17 17 PHE H H 17 7.800 7.800 9.121 -1.321 18679 3301 1 10 . 1 1 18 18 ILE N N 18 122.756 122.756 122.941 -0.185 18679 3302 1 10 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.541 -0.480 18679 3303 1 10 . 1 1 18 18 ILE C C 18 174.459 174.459 175.387 -0.928 18679 3304 1 10 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.053 0.103 18679 3305 1 10 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.331 1.048 18679 3306 1 10 . 1 1 18 18 ILE H H 18 9.337 9.337 8.668 0.669 18679 3307 1 10 . 1 1 19 19 GLU N N 19 126.777 126.777 125.858 0.919 18679 3308 1 10 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.460 0.455 18679 3309 1 10 . 1 1 19 19 GLU C C 19 175.169 175.169 174.992 0.177 18679 3310 1 10 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.959 -0.979 18679 3311 1 10 . 1 1 19 19 GLU CB C 19 32.204 32.204 30.912 1.292 18679 3312 1 10 . 1 1 19 19 GLU H H 19 9.294 9.294 8.403 0.891 18679 3313 1 10 . 1 1 20 20 ARG N N 20 123.573 123.573 123.787 -0.214 18679 3314 1 10 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.695 -0.675 18679 3315 1 10 . 1 1 20 20 ARG C C 20 176.345 176.345 178.078 -1.733 18679 3316 1 10 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.597 0.809 18679 3317 1 10 . 1 1 20 20 ARG CB C 20 33.630 33.630 33.403 0.227 18679 3318 1 10 . 1 1 20 20 ARG H H 20 9.290 9.290 8.515 0.775 18679 3319 1 10 . 1 1 21 21 GLU N N 21 121.542 121.542 120.839 0.703 18679 3320 1 10 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.110 -0.010 18679 3321 1 10 . 1 1 21 21 GLU C C 21 177.265 177.265 177.444 -0.179 18679 3322 1 10 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.064 -0.269 18679 3323 1 10 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.285 0.624 18679 3324 1 10 . 1 1 21 21 GLU H H 21 9.066 9.066 8.927 0.139 18679 3325 1 10 . 1 1 22 22 ASN N N 22 115.336 115.336 115.510 -0.174 18679 3326 1 10 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.811 -0.063 18679 3327 1 10 . 1 1 22 22 ASN C C 22 174.806 174.806 175.468 -0.662 18679 3328 1 10 . 1 1 22 22 ASN CA C 22 53.129 53.129 53.114 0.015 18679 3329 1 10 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.908 0.112 18679 3330 1 10 . 1 1 22 22 ASN H H 22 8.257 8.257 8.158 0.099 18679 3331 1 10 . 1 1 23 23 GLY N N 23 107.564 107.564 108.716 -1.152 18679 3332 1 10 . 1 1 23 23 GLY C C 23 172.948 172.948 173.328 -0.380 18679 3333 1 10 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.153 -0.457 18679 3334 1 10 . 1 1 23 23 GLY H H 23 7.866 7.866 7.812 0.054 18679 3335 1 10 . 1 1 24 24 ASP N N 24 120.038 120.038 121.022 -0.984 18679 3336 1 10 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.562 0.066 18679 3337 1 10 . 1 1 24 24 ASP C C 24 175.559 175.559 175.924 -0.365 18679 3338 1 10 . 1 1 24 24 ASP CA C 24 54.453 54.453 54.489 -0.036 18679 3339 1 10 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.087 1.457 18679 3340 1 10 . 1 1 24 24 ASP H H 24 8.370 8.370 8.276 0.094 18679 3341 1 10 . 1 1 25 25 ASP N N 25 120.666 120.666 121.075 -0.409 18679 3342 1 10 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.655 0.266 18679 3343 1 10 . 1 1 25 25 ASP C C 25 176.258 176.258 176.512 -0.254 18679 3344 1 10 . 1 1 25 25 ASP CA C 25 54.973 54.973 53.917 1.056 18679 3345 1 10 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.024 2.464 18679 3346 1 10 . 1 1 25 25 ASP H H 25 8.698 8.698 8.079 0.619 18679 3347 1 10 . 1 1 26 26 VAL N N 26 120.541 120.541 123.418 -2.877 18679 3348 1 10 . 1 1 26 26 VAL HA H 26 4.346 4.346 3.968 0.378 18679 3349 1 10 . 1 1 26 26 VAL C C 26 174.724 174.724 175.812 -1.088 18679 3350 1 10 . 1 1 26 26 VAL CA C 26 60.847 60.847 62.533 -1.686 18679 3351 1 10 . 1 1 26 26 VAL CB C 26 34.500 34.500 32.054 2.446 18679 3352 1 10 . 1 1 26 26 VAL H H 26 9.365 9.365 8.850 0.515 18679 3353 1 10 . 1 1 27 27 PHE N N 27 130.752 130.752 130.867 -0.115 18679 3354 1 10 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.458 -0.928 18679 3355 1 10 . 1 1 27 27 PHE C C 27 172.517 172.517 173.863 -1.346 18679 3356 1 10 . 1 1 27 27 PHE CA C 27 58.978 58.978 57.685 1.293 18679 3357 1 10 . 1 1 27 27 PHE CB C 27 39.934 39.934 39.984 -0.050 18679 3358 1 10 . 1 1 27 27 PHE H H 27 8.335 8.335 8.434 -0.099 18679 3359 1 10 . 1 1 28 28 VAL N N 28 124.530 124.530 127.985 -3.455 18679 3360 1 10 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.269 0.124 18679 3361 1 10 . 1 1 28 28 VAL C C 28 170.556 170.556 173.177 -2.621 18679 3362 1 10 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.857 -2.151 18679 3363 1 10 . 1 1 28 28 VAL CB C 28 34.597 34.597 35.273 -0.676 18679 3364 1 10 . 1 1 28 28 VAL H H 28 7.411 7.411 8.405 -0.994 18679 3365 1 10 . 1 1 29 29 HIS N N 29 127.448 127.448 128.424 -0.976 18679 3366 1 10 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.013 -0.454 18679 3367 1 10 . 1 1 29 29 HIS C C 29 177.582 177.582 176.648 0.934 18679 3368 1 10 . 1 1 29 29 HIS CA C 29 55.739 55.739 54.449 1.290 18679 3369 1 10 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.498 1.044 18679 3370 1 10 . 1 1 29 29 HIS H H 29 8.561 8.561 8.705 -0.144 18679 3371 1 10 . 1 1 30 30 PHE N N 30 122.691 122.691 125.749 -3.058 18679 3372 1 10 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.182 -0.320 18679 3373 1 10 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.334 -0.344 18679 3374 1 10 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.638 -2.158 18679 3375 1 10 . 1 1 30 30 PHE H H 30 7.970 7.970 8.084 -0.114 18679 3376 1 10 . 1 1 31 31 SER N N 31 118.356 118.356 113.884 4.472 18679 3377 1 10 . 1 1 31 31 SER HA H 31 3.858 3.858 4.095 -0.237 18679 3378 1 10 . 1 1 31 31 SER C C 31 175.382 175.382 174.790 0.592 18679 3379 1 10 . 1 1 31 31 SER CA C 31 59.761 59.761 59.655 0.106 18679 3380 1 10 . 1 1 31 31 SER CB C 31 62.630 62.630 63.358 -0.728 18679 3381 1 10 . 1 1 31 31 SER H H 31 7.623 7.623 7.773 -0.150 18679 3382 1 10 . 1 1 32 32 ALA N N 32 124.536 124.536 123.129 1.407 18679 3383 1 10 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.492 -0.087 18679 3384 1 10 . 1 1 32 32 ALA C C 32 177.706 177.706 176.502 1.204 18679 3385 1 10 . 1 1 32 32 ALA CA C 32 52.384 52.384 51.943 0.441 18679 3386 1 10 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.782 0.391 18679 3387 1 10 . 1 1 32 32 ALA H H 32 7.902 7.902 7.809 0.093 18679 3388 1 10 . 1 1 33 33 ILE N N 33 121.051 121.051 119.714 1.337 18679 3389 1 10 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.907 -0.066 18679 3390 1 10 . 1 1 33 33 ILE C C 33 175.517 175.517 175.144 0.373 18679 3391 1 10 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.164 1.088 18679 3392 1 10 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.942 -0.958 18679 3393 1 10 . 1 1 33 33 ILE H H 33 7.595 7.595 7.311 0.284 18679 3394 1 10 . 1 1 34 34 GLN N N 34 126.803 126.803 123.758 3.045 18679 3395 1 10 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.202 0.053 18679 3396 1 10 . 1 1 34 34 GLN C C 34 176.167 176.167 175.164 1.003 18679 3397 1 10 . 1 1 34 34 GLN CA C 34 55.872 55.872 56.210 -0.338 18679 3398 1 10 . 1 1 34 34 GLN CB C 34 29.510 29.510 27.962 1.548 18679 3399 1 10 . 1 1 34 34 GLN H H 34 8.714 8.714 8.530 0.184 18679 3400 1 10 . 1 1 35 35 GLY N N 35 110.928 110.928 112.181 -1.253 18679 3401 1 10 . 1 1 35 35 GLY C C 35 172.763 172.763 172.975 -0.212 18679 3402 1 10 . 1 1 35 35 GLY CA C 35 44.838 44.838 45.052 -0.214 18679 3403 1 10 . 1 1 35 35 GLY H H 35 8.411 8.411 7.931 0.480 18679 3404 1 10 . 1 1 36 36 ASP N N 36 119.994 119.994 126.249 -6.255 18679 3405 1 10 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.573 0.226 18679 3406 1 10 . 1 1 36 36 ASP C C 36 176.584 176.584 177.334 -0.750 18679 3407 1 10 . 1 1 36 36 ASP CA C 36 53.957 53.957 54.463 -0.506 18679 3408 1 10 . 1 1 36 36 ASP CB C 36 42.297 42.297 40.007 2.290 18679 3409 1 10 . 1 1 36 36 ASP H H 36 8.319 8.319 8.713 -0.394 18679 3410 1 10 . 1 1 37 37 GLY N N 37 108.688 108.688 112.518 -3.830 18679 3411 1 10 . 1 1 37 37 GLY C C 37 176.528 176.528 173.697 2.831 18679 3412 1 10 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.562 -0.886 18679 3413 1 10 . 1 1 37 37 GLY H H 37 8.390 8.390 8.126 0.264 18679 3414 1 10 . 1 1 38 38 PHE N N 38 122.793 122.793 121.690 1.103 18679 3415 1 10 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.765 0.002 18679 3416 1 10 . 1 1 38 38 PHE C C 38 175.402 175.402 174.022 1.380 18679 3417 1 10 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.542 2.450 18679 3418 1 10 . 1 1 38 38 PHE CB C 38 39.043 39.043 41.476 -2.433 18679 3419 1 10 . 1 1 38 38 PHE H H 38 8.423 8.423 7.785 0.638 18679 3420 1 10 . 1 1 39 39 LYS N N 39 123.349 123.349 124.624 -1.275 18679 3421 1 10 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.767 -0.434 18679 3422 1 10 . 1 1 39 39 LYS C C 39 169.990 169.990 176.115 -6.125 18679 3423 1 10 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.567 -0.089 18679 3424 1 10 . 1 1 39 39 LYS CB C 39 32.335 32.335 34.695 -2.360 18679 3425 1 10 . 1 1 39 39 LYS H H 39 8.592 8.592 8.631 -0.039 18679 3426 1 10 . 1 1 40 40 SER N N 40 113.941 113.941 119.427 -5.486 18679 3427 1 10 . 1 1 40 40 SER HA H 40 3.673 3.673 4.411 -0.738 18679 3428 1 10 . 1 1 40 40 SER CA C 40 57.015 57.015 57.801 -0.786 18679 3429 1 10 . 1 1 40 40 SER CB C 40 64.589 64.589 63.270 1.319 18679 3430 1 10 . 1 1 40 40 SER H H 40 7.444 7.444 8.594 -1.150 18679 3431 1 10 . 1 1 41 41 LEU N N 41 117.107 117.107 127.747 -10.640 18679 3432 1 10 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.228 0.166 18679 3433 1 10 . 1 1 41 41 LEU C C 41 173.917 173.917 176.086 -2.169 18679 3434 1 10 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.673 -1.259 18679 3435 1 10 . 1 1 41 41 LEU CB C 41 46.815 46.815 40.910 5.905 18679 3436 1 10 . 1 1 41 41 LEU H H 41 5.598 5.598 8.022 -2.424 18679 3437 1 10 . 1 1 42 42 ASP N N 42 118.896 118.896 123.392 -4.496 18679 3438 1 10 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.554 0.340 18679 3439 1 10 . 1 1 42 42 ASP C C 42 175.559 175.559 175.551 0.008 18679 3440 1 10 . 1 1 42 42 ASP CA C 42 52.777 52.777 53.353 -0.576 18679 3441 1 10 . 1 1 42 42 ASP CB C 42 42.970 42.970 42.944 0.026 18679 3442 1 10 . 1 1 42 42 ASP H H 42 8.156 8.156 8.113 0.043 18679 3443 1 10 . 1 1 43 43 GLU N N 43 121.023 121.023 123.475 -2.452 18679 3444 1 10 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.180 -0.662 18679 3445 1 10 . 1 1 43 43 GLU C C 43 177.211 177.211 176.621 0.590 18679 3446 1 10 . 1 1 43 43 GLU CA C 43 58.444 58.444 58.259 0.185 18679 3447 1 10 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.033 0.498 18679 3448 1 10 . 1 1 43 43 GLU H H 43 8.689 8.689 9.174 -0.485 18679 3449 1 10 . 1 1 44 44 GLY N N 44 113.916 113.916 113.580 0.336 18679 3450 1 10 . 1 1 44 44 GLY C C 44 173.870 173.870 174.231 -0.361 18679 3451 1 10 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.674 0.520 18679 3452 1 10 . 1 1 44 44 GLY H H 44 8.971 8.971 8.744 0.227 18679 3453 1 10 . 1 1 45 45 GLN N N 45 120.533 120.533 121.425 -0.892 18679 3454 1 10 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.403 -0.226 18679 3455 1 10 . 1 1 45 45 GLN C C 45 175.454 175.454 174.407 1.047 18679 3456 1 10 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.626 1.480 18679 3457 1 10 . 1 1 45 45 GLN CB C 45 30.398 30.398 30.289 0.109 18679 3458 1 10 . 1 1 45 45 GLN H H 45 7.634 7.634 7.902 -0.268 18679 3459 1 10 . 1 1 46 46 ALA N N 46 130.118 130.118 128.756 1.362 18679 3460 1 10 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.219 -0.286 18679 3461 1 10 . 1 1 46 46 ALA C C 46 178.148 178.148 176.521 1.627 18679 3462 1 10 . 1 1 46 46 ALA CA C 46 52.206 52.206 50.494 1.712 18679 3463 1 10 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.569 -0.586 18679 3464 1 10 . 1 1 46 46 ALA H H 46 8.894 8.894 8.500 0.394 18679 3465 1 10 . 1 1 47 47 VAL N N 47 114.581 114.581 119.843 -5.262 18679 3466 1 10 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.757 0.651 18679 3467 1 10 . 1 1 47 47 VAL C C 47 175.654 175.654 174.468 1.186 18679 3468 1 10 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.150 -0.278 18679 3469 1 10 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.252 1.877 18679 3470 1 10 . 1 1 47 47 VAL H H 47 8.591 8.591 9.074 -0.483 18679 3471 1 10 . 1 1 48 48 THR N N 48 113.346 113.346 112.924 0.422 18679 3472 1 10 . 1 1 48 48 THR HA H 48 5.398 5.398 5.109 0.289 18679 3473 1 10 . 1 1 48 48 THR C C 48 177.527 177.527 173.914 3.613 18679 3474 1 10 . 1 1 48 48 THR CA C 48 60.253 60.253 60.087 0.166 18679 3475 1 10 . 1 1 48 48 THR CB C 48 71.323 71.323 70.807 0.516 18679 3476 1 10 . 1 1 48 48 THR H H 48 8.943 8.943 8.611 0.332 18679 3477 1 10 . 1 1 49 49 PHE N N 49 116.531 116.531 118.699 -2.168 18679 3478 1 10 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.570 -0.567 18679 3479 1 10 . 1 1 49 49 PHE C C 49 171.900 171.900 173.922 -2.022 18679 3480 1 10 . 1 1 49 49 PHE CA C 49 56.589 56.589 55.366 1.223 18679 3481 1 10 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.388 -2.647 18679 3482 1 10 . 1 1 49 49 PHE H H 49 8.214 8.214 7.946 0.268 18679 3483 1 10 . 1 1 50 50 ASP N N 50 118.134 118.134 121.772 -3.638 18679 3484 1 10 . 1 1 50 50 ASP HA H 50 5.167 5.167 4.820 0.347 18679 3485 1 10 . 1 1 50 50 ASP C C 50 175.559 175.559 175.695 -0.136 18679 3486 1 10 . 1 1 50 50 ASP CA C 50 53.971 53.971 53.394 0.577 18679 3487 1 10 . 1 1 50 50 ASP CB C 50 43.986 43.986 42.064 1.922 18679 3488 1 10 . 1 1 50 50 ASP H H 50 8.862 8.862 8.524 0.338 18679 3489 1 10 . 1 1 51 51 VAL N N 51 120.815 120.815 126.136 -5.321 18679 3490 1 10 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.150 0.620 18679 3491 1 10 . 1 1 51 51 VAL C C 51 175.378 175.378 175.050 0.328 18679 3492 1 10 . 1 1 51 51 VAL CA C 51 62.046 62.046 63.509 -1.463 18679 3493 1 10 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.665 1.189 18679 3494 1 10 . 1 1 51 51 VAL H H 51 8.700 8.700 8.396 0.304 18679 3495 1 10 . 1 1 52 52 GLU N N 52 127.575 127.575 129.972 -2.397 18679 3496 1 10 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.708 0.072 18679 3497 1 10 . 1 1 52 52 GLU C C 52 175.436 175.436 174.637 0.799 18679 3498 1 10 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.534 -0.401 18679 3499 1 10 . 1 1 52 52 GLU CB C 52 32.295 32.295 33.802 -1.507 18679 3500 1 10 . 1 1 52 52 GLU H H 52 9.062 9.062 8.692 0.370 18679 3501 1 10 . 1 1 53 53 GLU N N 53 124.119 124.119 124.420 -0.301 18679 3502 1 10 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.468 -0.208 18679 3503 1 10 . 1 1 53 53 GLU C C 53 176.436 176.436 175.754 0.682 18679 3504 1 10 . 1 1 53 53 GLU CA C 53 56.417 56.417 54.908 1.509 18679 3505 1 10 . 1 1 53 53 GLU CB C 53 29.392 29.392 31.223 -1.831 18679 3506 1 10 . 1 1 53 53 GLU H H 53 8.808 8.808 8.646 0.162 18679 3507 1 10 . 1 1 54 54 GLY N N 54 113.794 113.794 111.721 2.073 18679 3508 1 10 . 1 1 54 54 GLY C C 54 175.559 175.559 173.528 2.031 18679 3509 1 10 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.597 -0.070 18679 3510 1 10 . 1 1 54 54 GLY H H 54 7.822 7.822 7.634 0.188 18679 3511 1 10 . 1 1 55 55 GLN N N 55 121.059 121.059 118.469 2.590 18679 3512 1 10 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.224 0.533 18679 3513 1 10 . 1 1 55 55 GLN C C 55 177.419 177.419 177.760 -0.341 18679 3514 1 10 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.806 0.818 18679 3515 1 10 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.732 0.501 18679 3516 1 10 . 1 1 55 55 GLN H H 55 8.685 8.685 8.507 0.178 18679 3517 1 10 . 1 1 56 56 ARG N N 56 116.444 116.444 118.644 -2.200 18679 3518 1 10 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.240 0.186 18679 3519 1 10 . 1 1 56 56 ARG C C 56 175.110 175.110 176.229 -1.119 18679 3520 1 10 . 1 1 56 56 ARG CA C 56 54.836 54.836 57.631 -2.795 18679 3521 1 10 . 1 1 56 56 ARG CB C 56 30.092 30.092 30.881 -0.789 18679 3522 1 10 . 1 1 56 56 ARG H H 56 8.491 8.491 8.314 0.177 18679 3523 1 10 . 1 1 57 57 GLY N N 57 107.667 107.667 105.861 1.806 18679 3524 1 10 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.588 -0.387 18679 3525 1 10 . 1 1 57 57 GLY H H 57 7.316 7.316 7.556 -0.240 18679 3526 1 10 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.970 -0.160 18679 3527 1 10 . 1 1 58 58 PRO C C 58 176.345 176.345 175.763 0.582 18679 3528 1 10 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.448 0.670 18679 3529 1 10 . 1 1 58 58 PRO CB C 58 32.517 32.517 32.692 -0.175 18679 3530 1 10 . 1 1 59 59 GLN N N 59 121.136 121.136 120.666 0.470 18679 3531 1 10 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.110 0.050 18679 3532 1 10 . 1 1 59 59 GLN C C 59 173.910 173.910 173.717 0.193 18679 3533 1 10 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.352 0.932 18679 3534 1 10 . 1 1 59 59 GLN CB C 59 32.688 32.688 33.239 -0.551 18679 3535 1 10 . 1 1 59 59 GLN H H 59 9.086 9.086 9.043 0.043 18679 3536 1 10 . 1 1 60 60 ALA N N 60 123.241 123.241 123.373 -0.132 18679 3537 1 10 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.526 0.352 18679 3538 1 10 . 1 1 60 60 ALA C C 60 176.210 176.210 175.653 0.557 18679 3539 1 10 . 1 1 60 60 ALA CA C 60 51.216 51.216 50.617 0.599 18679 3540 1 10 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.196 1.075 18679 3541 1 10 . 1 1 60 60 ALA H H 60 8.796 8.796 8.534 0.262 18679 3542 1 10 . 1 1 61 61 ALA N N 61 123.741 123.741 126.893 -3.152 18679 3543 1 10 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.598 0.072 18679 3544 1 10 . 1 1 61 61 ALA C C 61 175.840 175.840 175.885 -0.045 18679 3545 1 10 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.407 0.461 18679 3546 1 10 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.120 0.943 18679 3547 1 10 . 1 1 61 61 ALA H H 61 9.165 9.165 7.883 1.282 18679 3548 1 10 . 1 1 62 62 ASN N N 62 118.727 118.727 116.945 1.782 18679 3549 1 10 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.407 -0.157 18679 3550 1 10 . 1 1 62 62 ASN C C 62 178.093 178.093 173.897 4.196 18679 3551 1 10 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.057 -0.090 18679 3552 1 10 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.757 0.472 18679 3553 1 10 . 1 1 62 62 ASN H H 62 9.288 9.288 8.768 0.520 18679 3554 1 10 . 1 1 63 63 VAL N N 63 116.869 116.869 121.010 -4.141 18679 3555 1 10 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.692 -0.309 18679 3556 1 10 . 1 1 63 63 VAL C C 63 175.378 175.378 176.274 -0.896 18679 3557 1 10 . 1 1 63 63 VAL CA C 63 63.116 63.116 61.447 1.669 18679 3558 1 10 . 1 1 63 63 VAL CB C 63 31.509 31.509 32.798 -1.289 18679 3559 1 10 . 1 1 63 63 VAL H H 63 8.129 8.129 8.041 0.088 18679 3560 1 10 . 1 1 64 64 GLN N N 64 127.534 127.534 125.861 1.673 18679 3561 1 10 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.822 -0.045 18679 3562 1 10 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.431 0.702 18679 3563 1 10 . 1 1 64 64 GLN CB C 64 32.174 32.174 33.296 -1.122 18679 3564 1 10 . 1 1 64 64 GLN H H 64 9.104 9.104 9.159 -0.055 18679 3565 1 10 . 1 1 65 65 LYS N N 65 122.593 122.593 120.658 1.935 18679 3566 1 10 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.317 -0.022 18679 3567 1 10 . 1 1 65 65 LYS C C 65 175.520 175.520 175.932 -0.412 18679 3568 1 10 . 1 1 65 65 LYS CA C 65 57.760 57.760 55.758 2.002 18679 3569 1 10 . 1 1 65 65 LYS CB C 65 32.714 32.714 33.467 -0.753 18679 3570 1 10 . 1 1 65 65 LYS H H 65 8.637 8.637 8.508 0.129 18679 3571 1 11 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.404 0.522 18679 3572 1 11 . 1 1 2 2 GLU C C 2 173.979 173.979 175.034 -1.055 18679 3573 1 11 . 1 1 2 2 GLU CB C 2 26.849 26.849 30.475 -3.626 18679 3574 1 11 . 1 1 3 3 GLN N N 3 116.901 116.901 119.566 -2.665 18679 3575 1 11 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.903 0.247 18679 3576 1 11 . 1 1 3 3 GLN C C 3 175.962 175.962 175.758 0.204 18679 3577 1 11 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.813 -0.689 18679 3578 1 11 . 1 1 3 3 GLN CB C 3 31.938 31.938 31.426 0.512 18679 3579 1 11 . 1 1 3 3 GLN H H 3 8.202 8.202 8.433 -0.231 18679 3580 1 11 . 1 1 4 4 GLY N N 4 108.174 108.174 110.566 -2.392 18679 3581 1 11 . 1 1 4 4 GLY C C 4 172.109 172.109 172.377 -0.268 18679 3582 1 11 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.968 0.646 18679 3583 1 11 . 1 1 4 4 GLY H H 4 8.629 8.629 8.947 -0.318 18679 3584 1 11 . 1 1 5 5 THR N N 5 114.528 114.528 116.330 -1.802 18679 3585 1 11 . 1 1 5 5 THR HA H 5 5.210 5.210 5.106 0.103 18679 3586 1 11 . 1 1 5 5 THR C C 5 173.994 173.994 174.343 -0.349 18679 3587 1 11 . 1 1 5 5 THR CA C 5 60.077 60.077 61.234 -1.157 18679 3588 1 11 . 1 1 5 5 THR CB C 5 71.635 71.635 71.709 -0.074 18679 3589 1 11 . 1 1 5 5 THR H H 5 8.417 8.417 8.224 0.193 18679 3590 1 11 . 1 1 6 6 VAL N N 6 125.816 125.816 127.258 -1.442 18679 3591 1 11 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.943 -0.422 18679 3592 1 11 . 1 1 6 6 VAL C C 6 175.620 175.620 176.471 -0.851 18679 3593 1 11 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.889 1.179 18679 3594 1 11 . 1 1 6 6 VAL CB C 6 31.632 31.632 31.127 0.505 18679 3595 1 11 . 1 1 6 6 VAL H H 6 8.908 8.908 8.664 0.244 18679 3596 1 11 . 1 1 7 7 LYS N N 7 135.919 135.919 129.456 6.463 18679 3597 1 11 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.293 -0.079 18679 3598 1 11 . 1 1 7 7 LYS C C 7 175.913 175.913 176.638 -0.725 18679 3599 1 11 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.228 -0.474 18679 3600 1 11 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.462 1.629 18679 3601 1 11 . 1 1 7 7 LYS H H 7 9.260 9.260 8.758 0.502 18679 3602 1 11 . 1 1 8 8 TRP N N 8 110.597 110.597 116.431 -5.834 18679 3603 1 11 . 1 1 8 8 TRP HA H 8 4.567 4.567 5.096 -0.529 18679 3604 1 11 . 1 1 8 8 TRP C C 8 173.327 173.327 173.593 -0.266 18679 3605 1 11 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.549 0.322 18679 3606 1 11 . 1 1 8 8 TRP CB C 8 30.675 30.675 31.067 -0.392 18679 3607 1 11 . 1 1 8 8 TRP H H 8 7.372 7.372 7.406 -0.034 18679 3608 1 11 . 1 1 9 9 PHE N N 9 120.373 120.373 116.596 3.777 18679 3609 1 11 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.948 -0.768 18679 3610 1 11 . 1 1 9 9 PHE C C 9 172.561 172.561 173.919 -1.358 18679 3611 1 11 . 1 1 9 9 PHE CA C 9 59.110 59.110 55.800 3.310 18679 3612 1 11 . 1 1 9 9 PHE CB C 9 42.287 42.287 41.076 1.211 18679 3613 1 11 . 1 1 9 9 PHE H H 9 9.265 9.265 8.918 0.347 18679 3614 1 11 . 1 1 10 10 ASN N N 10 127.710 127.710 123.879 3.831 18679 3615 1 11 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.906 0.027 18679 3616 1 11 . 1 1 10 10 ASN C C 10 174.373 174.373 175.579 -1.206 18679 3617 1 11 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.679 -0.781 18679 3618 1 11 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.099 1.810 18679 3619 1 11 . 1 1 10 10 ASN H H 10 8.223 8.223 8.766 -0.543 18679 3620 1 11 . 1 1 11 11 ALA N N 11 129.186 129.186 126.025 3.161 18679 3621 1 11 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.987 0.316 18679 3622 1 11 . 1 1 11 11 ALA C C 11 176.087 176.087 178.442 -2.355 18679 3623 1 11 . 1 1 11 11 ALA CA C 11 53.809 53.809 55.298 -1.489 18679 3624 1 11 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.934 -0.233 18679 3625 1 11 . 1 1 11 11 ALA H H 11 9.119 9.119 7.293 1.826 18679 3626 1 11 . 1 1 12 12 GLU N N 12 116.366 116.366 115.707 0.659 18679 3627 1 11 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.237 -0.214 18679 3628 1 11 . 1 1 12 12 GLU C C 12 175.119 175.119 177.293 -2.174 18679 3629 1 11 . 1 1 12 12 GLU CA C 12 58.448 58.448 57.739 0.709 18679 3630 1 11 . 1 1 12 12 GLU CB C 12 29.156 29.156 28.598 0.558 18679 3631 1 11 . 1 1 12 12 GLU H H 12 8.082 8.082 8.347 -0.265 18679 3632 1 11 . 1 1 13 13 LYS N N 13 113.821 113.821 118.626 -4.805 18679 3633 1 11 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.407 -0.095 18679 3634 1 11 . 1 1 13 13 LYS C C 13 177.130 177.130 177.880 -0.750 18679 3635 1 11 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.758 1.054 18679 3636 1 11 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.462 1.152 18679 3637 1 11 . 1 1 13 13 LYS H H 13 7.273 7.273 7.630 -0.357 18679 3638 1 11 . 1 1 14 14 GLY N N 14 105.929 105.929 107.790 -1.861 18679 3639 1 11 . 1 1 14 14 GLY C C 14 172.485 172.485 172.498 -0.013 18679 3640 1 11 . 1 1 14 14 GLY CA C 14 46.754 46.754 44.972 1.782 18679 3641 1 11 . 1 1 14 14 GLY H H 14 8.370 8.370 8.562 -0.192 18679 3642 1 11 . 1 1 15 15 PHE N N 15 112.060 112.060 117.713 -5.653 18679 3643 1 11 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.288 -0.474 18679 3644 1 11 . 1 1 15 15 PHE C C 15 171.414 171.414 174.226 -2.812 18679 3645 1 11 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.851 -2.131 18679 3646 1 11 . 1 1 15 15 PHE CB C 15 42.723 42.723 43.073 -0.350 18679 3647 1 11 . 1 1 15 15 PHE H H 15 6.572 6.572 7.655 -1.083 18679 3648 1 11 . 1 1 16 16 GLY N N 16 105.419 105.419 105.942 -0.523 18679 3649 1 11 . 1 1 16 16 GLY C C 16 173.812 173.812 171.400 2.412 18679 3650 1 11 . 1 1 16 16 GLY CA C 16 44.912 44.912 45.312 -0.400 18679 3651 1 11 . 1 1 16 16 GLY H H 16 7.851 7.851 7.937 -0.086 18679 3652 1 11 . 1 1 17 17 PHE N N 17 115.154 115.154 119.123 -3.969 18679 3653 1 11 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.116 -0.108 18679 3654 1 11 . 1 1 17 17 PHE C C 17 174.568 174.568 174.551 0.017 18679 3655 1 11 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.493 0.231 18679 3656 1 11 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.050 3.139 18679 3657 1 11 . 1 1 17 17 PHE H H 17 7.800 7.800 7.999 -0.199 18679 3658 1 11 . 1 1 18 18 ILE N N 18 122.756 122.756 123.295 -0.539 18679 3659 1 11 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.531 -0.470 18679 3660 1 11 . 1 1 18 18 ILE C C 18 174.459 174.459 174.993 -0.534 18679 3661 1 11 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.209 -0.053 18679 3662 1 11 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.256 1.123 18679 3663 1 11 . 1 1 18 18 ILE H H 18 9.337 9.337 8.884 0.453 18679 3664 1 11 . 1 1 19 19 GLU N N 19 126.777 126.777 125.365 1.412 18679 3665 1 11 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.924 -0.009 18679 3666 1 11 . 1 1 19 19 GLU C C 19 175.169 175.169 175.398 -0.229 18679 3667 1 11 . 1 1 19 19 GLU CA C 19 54.980 54.980 54.848 0.132 18679 3668 1 11 . 1 1 19 19 GLU CB C 19 32.204 32.204 31.087 1.117 18679 3669 1 11 . 1 1 19 19 GLU H H 19 9.294 9.294 9.063 0.231 18679 3670 1 11 . 1 1 20 20 ARG N N 20 123.573 123.573 125.873 -2.300 18679 3671 1 11 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.616 -0.596 18679 3672 1 11 . 1 1 20 20 ARG C C 20 176.345 176.345 178.005 -1.660 18679 3673 1 11 . 1 1 20 20 ARG CA C 20 55.406 55.406 55.164 0.242 18679 3674 1 11 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.342 1.288 18679 3675 1 11 . 1 1 20 20 ARG H H 20 9.290 9.290 8.036 1.254 18679 3676 1 11 . 1 1 21 21 GLU N N 21 121.542 121.542 121.235 0.307 18679 3677 1 11 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.130 -0.030 18679 3678 1 11 . 1 1 21 21 GLU C C 21 177.265 177.265 176.532 0.733 18679 3679 1 11 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.040 -0.245 18679 3680 1 11 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.390 0.518 18679 3681 1 11 . 1 1 21 21 GLU H H 21 9.066 9.066 9.048 0.018 18679 3682 1 11 . 1 1 22 22 ASN N N 22 115.336 115.336 114.615 0.721 18679 3683 1 11 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.824 -0.075 18679 3684 1 11 . 1 1 22 22 ASN C C 22 174.806 174.806 176.252 -1.446 18679 3685 1 11 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.854 0.275 18679 3686 1 11 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.375 0.645 18679 3687 1 11 . 1 1 22 22 ASN H H 22 8.257 8.257 7.970 0.287 18679 3688 1 11 . 1 1 23 23 GLY N N 23 107.564 107.564 108.609 -1.045 18679 3689 1 11 . 1 1 23 23 GLY C C 23 172.948 172.948 173.321 -0.373 18679 3690 1 11 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.319 -0.623 18679 3691 1 11 . 1 1 23 23 GLY H H 23 7.866 7.866 8.163 -0.297 18679 3692 1 11 . 1 1 24 24 ASP N N 24 120.038 120.038 120.994 -0.956 18679 3693 1 11 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.465 0.163 18679 3694 1 11 . 1 1 24 24 ASP C C 24 175.559 175.559 175.908 -0.349 18679 3695 1 11 . 1 1 24 24 ASP CA C 24 54.453 54.453 54.186 0.267 18679 3696 1 11 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.964 0.580 18679 3697 1 11 . 1 1 24 24 ASP H H 24 8.370 8.370 8.242 0.128 18679 3698 1 11 . 1 1 25 25 ASP N N 25 120.666 120.666 125.858 -5.192 18679 3699 1 11 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.661 0.260 18679 3700 1 11 . 1 1 25 25 ASP C C 25 176.258 176.258 176.041 0.217 18679 3701 1 11 . 1 1 25 25 ASP CA C 25 54.973 54.973 55.421 -0.448 18679 3702 1 11 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.429 2.059 18679 3703 1 11 . 1 1 25 25 ASP H H 25 8.698 8.698 8.100 0.598 18679 3704 1 11 . 1 1 26 26 VAL N N 26 120.541 120.541 124.767 -4.226 18679 3705 1 11 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.108 0.238 18679 3706 1 11 . 1 1 26 26 VAL C C 26 174.724 174.724 175.362 -0.638 18679 3707 1 11 . 1 1 26 26 VAL CA C 26 60.847 60.847 62.603 -1.756 18679 3708 1 11 . 1 1 26 26 VAL CB C 26 34.500 34.500 31.692 2.808 18679 3709 1 11 . 1 1 26 26 VAL H H 26 9.365 9.365 9.021 0.344 18679 3710 1 11 . 1 1 27 27 PHE N N 27 130.752 130.752 130.439 0.313 18679 3711 1 11 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.796 -1.266 18679 3712 1 11 . 1 1 27 27 PHE C C 27 172.517 172.517 174.183 -1.666 18679 3713 1 11 . 1 1 27 27 PHE CA C 27 58.978 58.978 56.713 2.265 18679 3714 1 11 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.590 -0.656 18679 3715 1 11 . 1 1 27 27 PHE H H 27 8.335 8.335 9.169 -0.834 18679 3716 1 11 . 1 1 28 28 VAL N N 28 124.530 124.530 127.683 -3.153 18679 3717 1 11 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.296 0.097 18679 3718 1 11 . 1 1 28 28 VAL C C 28 170.556 170.556 173.221 -2.665 18679 3719 1 11 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.302 -1.596 18679 3720 1 11 . 1 1 28 28 VAL CB C 28 34.597 34.597 35.440 -0.843 18679 3721 1 11 . 1 1 28 28 VAL H H 28 7.411 7.411 8.126 -0.715 18679 3722 1 11 . 1 1 29 29 HIS N N 29 127.448 127.448 120.487 6.961 18679 3723 1 11 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.259 -0.700 18679 3724 1 11 . 1 1 29 29 HIS C C 29 177.582 177.582 176.053 1.529 18679 3725 1 11 . 1 1 29 29 HIS CA C 29 55.739 55.739 53.177 2.562 18679 3726 1 11 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.239 1.303 18679 3727 1 11 . 1 1 29 29 HIS H H 29 8.561 8.561 7.994 0.567 18679 3728 1 11 . 1 1 30 30 PHE N N 30 122.691 122.691 116.871 5.820 18679 3729 1 11 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.091 -0.229 18679 3730 1 11 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.446 -0.455 18679 3731 1 11 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.266 -1.786 18679 3732 1 11 . 1 1 30 30 PHE H H 30 7.970 7.970 8.063 -0.093 18679 3733 1 11 . 1 1 31 31 SER N N 31 118.356 118.356 114.841 3.515 18679 3734 1 11 . 1 1 31 31 SER HA H 31 3.858 3.858 4.276 -0.418 18679 3735 1 11 . 1 1 31 31 SER C C 31 175.382 175.382 173.138 2.244 18679 3736 1 11 . 1 1 31 31 SER CA C 31 59.761 59.761 57.988 1.773 18679 3737 1 11 . 1 1 31 31 SER CB C 31 62.630 62.630 63.024 -0.394 18679 3738 1 11 . 1 1 31 31 SER H H 31 7.623 7.623 7.262 0.361 18679 3739 1 11 . 1 1 32 32 ALA N N 32 124.536 124.536 121.049 3.487 18679 3740 1 11 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.241 0.164 18679 3741 1 11 . 1 1 32 32 ALA C C 32 177.706 177.706 175.392 2.314 18679 3742 1 11 . 1 1 32 32 ALA CA C 32 52.384 52.384 51.988 0.396 18679 3743 1 11 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.103 1.070 18679 3744 1 11 . 1 1 32 32 ALA H H 32 7.902 7.902 7.364 0.538 18679 3745 1 11 . 1 1 33 33 ILE N N 33 121.051 121.051 120.332 0.719 18679 3746 1 11 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.757 0.084 18679 3747 1 11 . 1 1 33 33 ILE C C 33 175.517 175.517 175.409 0.108 18679 3748 1 11 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.796 0.456 18679 3749 1 11 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.515 -0.531 18679 3750 1 11 . 1 1 33 33 ILE H H 33 7.595 7.595 7.772 -0.177 18679 3751 1 11 . 1 1 34 34 GLN N N 34 126.803 126.803 123.834 2.969 18679 3752 1 11 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.122 0.133 18679 3753 1 11 . 1 1 34 34 GLN C C 34 176.167 176.167 176.637 -0.470 18679 3754 1 11 . 1 1 34 34 GLN CA C 34 55.872 55.872 56.722 -0.850 18679 3755 1 11 . 1 1 34 34 GLN CB C 34 29.510 29.510 28.552 0.958 18679 3756 1 11 . 1 1 34 34 GLN H H 34 8.714 8.714 8.526 0.188 18679 3757 1 11 . 1 1 35 35 GLY N N 35 110.928 110.928 112.522 -1.594 18679 3758 1 11 . 1 1 35 35 GLY C C 35 172.763 172.763 173.455 -0.692 18679 3759 1 11 . 1 1 35 35 GLY CA C 35 44.838 44.838 45.084 -0.246 18679 3760 1 11 . 1 1 35 35 GLY H H 35 8.411 8.411 8.646 -0.235 18679 3761 1 11 . 1 1 36 36 ASP N N 36 119.994 119.994 121.078 -1.084 18679 3762 1 11 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.769 0.030 18679 3763 1 11 . 1 1 36 36 ASP C C 36 176.584 176.584 176.335 0.249 18679 3764 1 11 . 1 1 36 36 ASP CA C 36 53.957 53.957 53.828 0.129 18679 3765 1 11 . 1 1 36 36 ASP CB C 36 42.297 42.297 41.214 1.083 18679 3766 1 11 . 1 1 36 36 ASP H H 36 8.319 8.319 7.737 0.582 18679 3767 1 11 . 1 1 37 37 GLY N N 37 108.688 108.688 111.999 -3.311 18679 3768 1 11 . 1 1 37 37 GLY C C 37 176.528 176.528 173.628 2.900 18679 3769 1 11 . 1 1 37 37 GLY CA C 37 44.676 44.676 44.456 0.220 18679 3770 1 11 . 1 1 37 37 GLY H H 37 8.390 8.390 8.399 -0.009 18679 3771 1 11 . 1 1 38 38 PHE N N 38 122.793 122.793 124.290 -1.497 18679 3772 1 11 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.769 -0.002 18679 3773 1 11 . 1 1 38 38 PHE C C 38 175.402 175.402 175.921 -0.519 18679 3774 1 11 . 1 1 38 38 PHE CA C 38 59.992 59.992 56.269 3.723 18679 3775 1 11 . 1 1 38 38 PHE CB C 38 39.043 39.043 38.153 0.890 18679 3776 1 11 . 1 1 38 38 PHE H H 38 8.423 8.423 8.400 0.023 18679 3777 1 11 . 1 1 39 39 LYS N N 39 123.349 123.349 123.973 -0.624 18679 3778 1 11 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.443 -0.110 18679 3779 1 11 . 1 1 39 39 LYS C C 39 169.990 169.990 176.336 -6.346 18679 3780 1 11 . 1 1 39 39 LYS CA C 39 55.478 55.478 57.416 -1.938 18679 3781 1 11 . 1 1 39 39 LYS CB C 39 32.335 32.335 32.495 -0.160 18679 3782 1 11 . 1 1 39 39 LYS H H 39 8.592 8.592 8.151 0.441 18679 3783 1 11 . 1 1 40 40 SER N N 40 113.941 113.941 116.612 -2.671 18679 3784 1 11 . 1 1 40 40 SER HA H 40 3.673 3.673 4.500 -0.827 18679 3785 1 11 . 1 1 40 40 SER CA C 40 57.015 57.015 59.053 -2.038 18679 3786 1 11 . 1 1 40 40 SER CB C 40 64.589 64.589 62.799 1.790 18679 3787 1 11 . 1 1 40 40 SER H H 40 7.444 7.444 8.091 -0.647 18679 3788 1 11 . 1 1 41 41 LEU N N 41 117.107 117.107 129.179 -12.072 18679 3789 1 11 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.041 0.353 18679 3790 1 11 . 1 1 41 41 LEU C C 41 173.917 173.917 175.171 -1.254 18679 3791 1 11 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.517 -1.103 18679 3792 1 11 . 1 1 41 41 LEU CB C 41 46.815 46.815 40.050 6.765 18679 3793 1 11 . 1 1 41 41 LEU H H 41 5.598 5.598 8.059 -2.461 18679 3794 1 11 . 1 1 42 42 ASP N N 42 118.896 118.896 121.619 -2.723 18679 3795 1 11 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.121 0.773 18679 3796 1 11 . 1 1 42 42 ASP C C 42 175.559 175.559 175.503 0.056 18679 3797 1 11 . 1 1 42 42 ASP CA C 42 52.777 52.777 54.146 -1.369 18679 3798 1 11 . 1 1 42 42 ASP CB C 42 42.970 42.970 42.481 0.489 18679 3799 1 11 . 1 1 42 42 ASP H H 42 8.156 8.156 7.363 0.793 18679 3800 1 11 . 1 1 43 43 GLU N N 43 121.023 121.023 124.337 -3.314 18679 3801 1 11 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.149 -0.631 18679 3802 1 11 . 1 1 43 43 GLU C C 43 177.211 177.211 176.920 0.291 18679 3803 1 11 . 1 1 43 43 GLU CA C 43 58.444 58.444 57.104 1.340 18679 3804 1 11 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.358 0.173 18679 3805 1 11 . 1 1 43 43 GLU H H 43 8.689 8.689 8.762 -0.073 18679 3806 1 11 . 1 1 44 44 GLY N N 44 113.916 113.916 113.096 0.820 18679 3807 1 11 . 1 1 44 44 GLY C C 44 173.870 173.870 174.136 -0.266 18679 3808 1 11 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.901 0.293 18679 3809 1 11 . 1 1 44 44 GLY H H 44 8.971 8.971 9.138 -0.167 18679 3810 1 11 . 1 1 45 45 GLN N N 45 120.533 120.533 121.434 -0.901 18679 3811 1 11 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.339 -0.162 18679 3812 1 11 . 1 1 45 45 GLN C C 45 175.454 175.454 174.793 0.661 18679 3813 1 11 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.897 1.208 18679 3814 1 11 . 1 1 45 45 GLN CB C 45 30.398 30.398 29.856 0.542 18679 3815 1 11 . 1 1 45 45 GLN H H 45 7.634 7.634 7.684 -0.050 18679 3816 1 11 . 1 1 46 46 ALA N N 46 130.118 130.118 129.418 0.700 18679 3817 1 11 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.151 -0.218 18679 3818 1 11 . 1 1 46 46 ALA C C 46 178.148 178.148 176.228 1.920 18679 3819 1 11 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.003 1.203 18679 3820 1 11 . 1 1 46 46 ALA CB C 46 18.983 18.983 20.217 -1.234 18679 3821 1 11 . 1 1 46 46 ALA H H 46 8.894 8.894 8.615 0.279 18679 3822 1 11 . 1 1 47 47 VAL N N 47 114.581 114.581 117.897 -3.316 18679 3823 1 11 . 1 1 47 47 VAL HA H 47 5.408 5.408 5.314 0.094 18679 3824 1 11 . 1 1 47 47 VAL C C 47 175.654 175.654 174.868 0.786 18679 3825 1 11 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.120 -0.248 18679 3826 1 11 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.826 1.303 18679 3827 1 11 . 1 1 47 47 VAL H H 47 8.591 8.591 9.238 -0.647 18679 3828 1 11 . 1 1 48 48 THR N N 48 113.346 113.346 116.665 -3.319 18679 3829 1 11 . 1 1 48 48 THR HA H 48 5.398 5.398 5.471 -0.073 18679 3830 1 11 . 1 1 48 48 THR C C 48 177.527 177.527 174.392 3.135 18679 3831 1 11 . 1 1 48 48 THR CA C 48 60.253 60.253 59.855 0.398 18679 3832 1 11 . 1 1 48 48 THR CB C 48 71.323 71.323 69.775 1.548 18679 3833 1 11 . 1 1 48 48 THR H H 48 8.943 8.943 8.483 0.460 18679 3834 1 11 . 1 1 49 49 PHE N N 49 116.531 116.531 121.987 -5.456 18679 3835 1 11 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.850 -0.847 18679 3836 1 11 . 1 1 49 49 PHE C C 49 171.900 171.900 173.525 -1.625 18679 3837 1 11 . 1 1 49 49 PHE CA C 49 56.589 56.589 55.129 1.460 18679 3838 1 11 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.355 -2.614 18679 3839 1 11 . 1 1 49 49 PHE H H 49 8.214 8.214 8.541 -0.327 18679 3840 1 11 . 1 1 50 50 ASP N N 50 118.134 118.134 119.938 -1.804 18679 3841 1 11 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.015 0.152 18679 3842 1 11 . 1 1 50 50 ASP C C 50 175.559 175.559 174.857 0.702 18679 3843 1 11 . 1 1 50 50 ASP CA C 50 53.971 53.971 54.341 -0.370 18679 3844 1 11 . 1 1 50 50 ASP CB C 50 43.986 43.986 44.202 -0.216 18679 3845 1 11 . 1 1 50 50 ASP H H 50 8.862 8.862 8.748 0.114 18679 3846 1 11 . 1 1 51 51 VAL N N 51 120.815 120.815 122.782 -1.967 18679 3847 1 11 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.821 -0.051 18679 3848 1 11 . 1 1 51 51 VAL C C 51 175.378 175.378 175.147 0.231 18679 3849 1 11 . 1 1 51 51 VAL CA C 51 62.046 62.046 60.527 1.519 18679 3850 1 11 . 1 1 51 51 VAL CB C 51 33.854 33.854 33.753 0.101 18679 3851 1 11 . 1 1 51 51 VAL H H 51 8.700 8.700 8.591 0.109 18679 3852 1 11 . 1 1 52 52 GLU N N 52 127.575 127.575 130.010 -2.435 18679 3853 1 11 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.669 0.111 18679 3854 1 11 . 1 1 52 52 GLU C C 52 175.436 175.436 175.696 -0.260 18679 3855 1 11 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.709 -0.576 18679 3856 1 11 . 1 1 52 52 GLU CB C 52 32.295 32.295 31.532 0.763 18679 3857 1 11 . 1 1 52 52 GLU H H 52 9.062 9.062 9.135 -0.073 18679 3858 1 11 . 1 1 53 53 GLU N N 53 124.119 124.119 124.471 -0.352 18679 3859 1 11 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.476 -0.216 18679 3860 1 11 . 1 1 53 53 GLU C C 53 176.436 176.436 176.124 0.312 18679 3861 1 11 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.876 0.541 18679 3862 1 11 . 1 1 53 53 GLU CB C 53 29.392 29.392 28.784 0.608 18679 3863 1 11 . 1 1 53 53 GLU H H 53 8.808 8.808 8.801 0.007 18679 3864 1 11 . 1 1 54 54 GLY N N 54 113.794 113.794 112.155 1.639 18679 3865 1 11 . 1 1 54 54 GLY C C 54 175.559 175.559 175.510 0.049 18679 3866 1 11 . 1 1 54 54 GLY CA C 54 44.527 44.527 43.991 0.536 18679 3867 1 11 . 1 1 54 54 GLY H H 54 7.822 7.822 7.929 -0.107 18679 3868 1 11 . 1 1 55 55 GLN N N 55 121.059 121.059 121.272 -0.213 18679 3869 1 11 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.112 0.645 18679 3870 1 11 . 1 1 55 55 GLN C C 55 177.419 177.419 176.989 0.430 18679 3871 1 11 . 1 1 55 55 GLN CA C 55 58.624 58.624 58.023 0.602 18679 3872 1 11 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.835 0.398 18679 3873 1 11 . 1 1 55 55 GLN H H 55 8.685 8.685 8.766 -0.081 18679 3874 1 11 . 1 1 56 56 ARG N N 56 116.444 116.444 117.784 -1.340 18679 3875 1 11 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.516 -0.090 18679 3876 1 11 . 1 1 56 56 ARG C C 56 175.110 175.110 174.722 0.388 18679 3877 1 11 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.605 -0.769 18679 3878 1 11 . 1 1 56 56 ARG CB C 56 30.092 30.092 31.274 -1.182 18679 3879 1 11 . 1 1 56 56 ARG H H 56 8.491 8.491 8.087 0.404 18679 3880 1 11 . 1 1 57 57 GLY N N 57 107.667 107.667 108.858 -1.191 18679 3881 1 11 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.900 -0.699 18679 3882 1 11 . 1 1 57 57 GLY H H 57 7.316 7.316 7.530 -0.214 18679 3883 1 11 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.917 -0.107 18679 3884 1 11 . 1 1 58 58 PRO C C 58 176.345 176.345 175.763 0.582 18679 3885 1 11 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.328 0.790 18679 3886 1 11 . 1 1 58 58 PRO CB C 58 32.517 32.517 32.248 0.269 18679 3887 1 11 . 1 1 59 59 GLN N N 59 121.136 121.136 124.949 -3.813 18679 3888 1 11 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.197 -0.037 18679 3889 1 11 . 1 1 59 59 GLN C C 59 173.910 173.910 175.685 -1.775 18679 3890 1 11 . 1 1 59 59 GLN CA C 59 54.284 54.284 54.432 -0.148 18679 3891 1 11 . 1 1 59 59 GLN CB C 59 32.688 32.688 30.839 1.849 18679 3892 1 11 . 1 1 59 59 GLN H H 59 9.086 9.086 9.084 0.002 18679 3893 1 11 . 1 1 60 60 ALA N N 60 123.241 123.241 128.997 -5.756 18679 3894 1 11 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.882 -0.004 18679 3895 1 11 . 1 1 60 60 ALA C C 60 176.210 176.210 175.517 0.693 18679 3896 1 11 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.401 -0.186 18679 3897 1 11 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.019 1.252 18679 3898 1 11 . 1 1 60 60 ALA H H 60 8.796 8.796 8.672 0.124 18679 3899 1 11 . 1 1 61 61 ALA N N 61 123.741 123.741 126.899 -3.158 18679 3900 1 11 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.611 0.059 18679 3901 1 11 . 1 1 61 61 ALA C C 61 175.840 175.840 176.062 -0.222 18679 3902 1 11 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.548 0.320 18679 3903 1 11 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.434 0.629 18679 3904 1 11 . 1 1 61 61 ALA H H 61 9.165 9.165 8.960 0.205 18679 3905 1 11 . 1 1 62 62 ASN N N 62 118.727 118.727 118.115 0.612 18679 3906 1 11 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.394 -0.144 18679 3907 1 11 . 1 1 62 62 ASN C C 62 178.093 178.093 173.575 4.518 18679 3908 1 11 . 1 1 62 62 ASN CA C 62 53.967 53.967 53.969 -0.002 18679 3909 1 11 . 1 1 62 62 ASN CB C 62 37.229 37.229 37.094 0.135 18679 3910 1 11 . 1 1 62 62 ASN H H 62 9.288 9.288 8.788 0.500 18679 3911 1 11 . 1 1 63 63 VAL N N 63 116.869 116.869 120.709 -3.840 18679 3912 1 11 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.825 -0.442 18679 3913 1 11 . 1 1 63 63 VAL C C 63 175.378 175.378 175.417 -0.039 18679 3914 1 11 . 1 1 63 63 VAL CA C 63 63.116 63.116 60.586 2.530 18679 3915 1 11 . 1 1 63 63 VAL CB C 63 31.509 31.509 33.265 -1.756 18679 3916 1 11 . 1 1 63 63 VAL H H 63 8.129 8.129 8.502 -0.373 18679 3917 1 11 . 1 1 64 64 GLN N N 64 127.534 127.534 125.909 1.625 18679 3918 1 11 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.690 0.087 18679 3919 1 11 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.540 0.593 18679 3920 1 11 . 1 1 64 64 GLN CB C 64 32.174 32.174 33.037 -0.863 18679 3921 1 11 . 1 1 64 64 GLN H H 64 9.104 9.104 9.070 0.034 18679 3922 1 11 . 1 1 65 65 LYS N N 65 122.593 122.593 123.935 -1.342 18679 3923 1 11 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.450 -0.155 18679 3924 1 11 . 1 1 65 65 LYS C C 65 175.520 175.520 175.525 -0.005 18679 3925 1 11 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.459 1.301 18679 3926 1 11 . 1 1 65 65 LYS CB C 65 32.714 32.714 32.925 -0.211 18679 3927 1 11 . 1 1 65 65 LYS H H 65 8.637 8.637 8.657 -0.020 18679 3928 1 12 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.210 0.716 18679 3929 1 12 . 1 1 2 2 GLU C C 2 173.979 173.979 174.200 -0.221 18679 3930 1 12 . 1 1 2 2 GLU CB C 2 26.849 26.849 27.009 -0.160 18679 3931 1 12 . 1 1 3 3 GLN N N 3 116.901 116.901 121.322 -4.421 18679 3932 1 12 . 1 1 3 3 GLN HA H 3 5.150 5.150 5.139 0.011 18679 3933 1 12 . 1 1 3 3 GLN C C 3 175.962 175.962 174.840 1.122 18679 3934 1 12 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.077 0.047 18679 3935 1 12 . 1 1 3 3 GLN CB C 3 31.938 31.938 32.490 -0.552 18679 3936 1 12 . 1 1 3 3 GLN H H 3 8.202 8.202 7.984 0.218 18679 3937 1 12 . 1 1 4 4 GLY N N 4 108.174 108.174 111.792 -3.618 18679 3938 1 12 . 1 1 4 4 GLY C C 4 172.109 172.109 172.388 -0.279 18679 3939 1 12 . 1 1 4 4 GLY CA C 4 45.614 45.614 45.005 0.609 18679 3940 1 12 . 1 1 4 4 GLY H H 4 8.629 8.629 9.045 -0.416 18679 3941 1 12 . 1 1 5 5 THR N N 5 114.528 114.528 117.566 -3.038 18679 3942 1 12 . 1 1 5 5 THR HA H 5 5.210 5.210 5.037 0.173 18679 3943 1 12 . 1 1 5 5 THR C C 5 173.994 173.994 174.374 -0.380 18679 3944 1 12 . 1 1 5 5 THR CA C 5 60.077 60.077 61.592 -1.515 18679 3945 1 12 . 1 1 5 5 THR CB C 5 71.635 71.635 69.904 1.730 18679 3946 1 12 . 1 1 5 5 THR H H 5 8.417 8.417 8.368 0.049 18679 3947 1 12 . 1 1 6 6 VAL N N 6 125.816 125.816 129.575 -3.759 18679 3948 1 12 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.910 -0.389 18679 3949 1 12 . 1 1 6 6 VAL C C 6 175.620 175.620 175.971 -0.351 18679 3950 1 12 . 1 1 6 6 VAL CA C 6 65.068 65.068 62.145 2.923 18679 3951 1 12 . 1 1 6 6 VAL CB C 6 31.632 31.632 29.684 1.948 18679 3952 1 12 . 1 1 6 6 VAL H H 6 8.908 8.908 8.939 -0.031 18679 3953 1 12 . 1 1 7 7 LYS N N 7 135.919 135.919 128.306 7.613 18679 3954 1 12 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.256 -0.042 18679 3955 1 12 . 1 1 7 7 LYS C C 7 175.913 175.913 176.512 -0.599 18679 3956 1 12 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.289 0.465 18679 3957 1 12 . 1 1 7 7 LYS CB C 7 35.092 35.092 32.658 2.434 18679 3958 1 12 . 1 1 7 7 LYS H H 7 9.260 9.260 7.928 1.332 18679 3959 1 12 . 1 1 8 8 TRP N N 8 110.597 110.597 118.587 -7.990 18679 3960 1 12 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.945 -0.378 18679 3961 1 12 . 1 1 8 8 TRP C C 8 173.327 173.327 173.705 -0.378 18679 3962 1 12 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.508 0.362 18679 3963 1 12 . 1 1 8 8 TRP CB C 8 30.675 30.675 29.968 0.707 18679 3964 1 12 . 1 1 8 8 TRP H H 8 7.372 7.372 6.904 0.468 18679 3965 1 12 . 1 1 9 9 PHE N N 9 120.373 120.373 121.472 -1.099 18679 3966 1 12 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.791 -0.611 18679 3967 1 12 . 1 1 9 9 PHE C C 9 172.561 172.561 174.499 -1.938 18679 3968 1 12 . 1 1 9 9 PHE CA C 9 59.110 59.110 54.852 4.258 18679 3969 1 12 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.366 1.921 18679 3970 1 12 . 1 1 9 9 PHE H H 9 9.265 9.265 8.393 0.872 18679 3971 1 12 . 1 1 10 10 ASN N N 10 127.710 127.710 124.155 3.555 18679 3972 1 12 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.505 0.428 18679 3973 1 12 . 1 1 10 10 ASN C C 10 174.373 174.373 174.623 -0.250 18679 3974 1 12 . 1 1 10 10 ASN CA C 10 51.898 51.898 51.746 0.152 18679 3975 1 12 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.656 1.253 18679 3976 1 12 . 1 1 10 10 ASN H H 10 8.223 8.223 8.420 -0.197 18679 3977 1 12 . 1 1 11 11 ALA N N 11 129.186 129.186 126.170 3.016 18679 3978 1 12 . 1 1 11 11 ALA HA H 11 4.303 4.303 4.442 -0.139 18679 3979 1 12 . 1 1 11 11 ALA C C 11 176.087 176.087 178.425 -2.338 18679 3980 1 12 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.198 -0.389 18679 3981 1 12 . 1 1 11 11 ALA CB C 11 18.701 18.701 19.099 -0.398 18679 3982 1 12 . 1 1 11 11 ALA H H 11 9.119 9.119 7.473 1.646 18679 3983 1 12 . 1 1 12 12 GLU N N 12 116.366 116.366 117.393 -1.027 18679 3984 1 12 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.159 -0.136 18679 3985 1 12 . 1 1 12 12 GLU C C 12 175.119 175.119 177.500 -2.381 18679 3986 1 12 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.643 -0.195 18679 3987 1 12 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.554 -0.398 18679 3988 1 12 . 1 1 12 12 GLU H H 12 8.082 8.082 8.287 -0.205 18679 3989 1 12 . 1 1 13 13 LYS N N 13 113.821 113.821 115.875 -2.054 18679 3990 1 12 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.565 -0.253 18679 3991 1 12 . 1 1 13 13 LYS C C 13 177.130 177.130 177.239 -0.109 18679 3992 1 12 . 1 1 13 13 LYS CA C 13 56.812 56.812 56.001 0.811 18679 3993 1 12 . 1 1 13 13 LYS CB C 13 34.614 34.614 34.471 0.143 18679 3994 1 12 . 1 1 13 13 LYS H H 13 7.273 7.273 7.726 -0.453 18679 3995 1 12 . 1 1 14 14 GLY N N 14 105.929 105.929 108.623 -2.694 18679 3996 1 12 . 1 1 14 14 GLY C C 14 172.485 172.485 173.204 -0.719 18679 3997 1 12 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.408 1.345 18679 3998 1 12 . 1 1 14 14 GLY H H 14 8.370 8.370 8.477 -0.107 18679 3999 1 12 . 1 1 15 15 PHE N N 15 112.060 112.060 116.341 -4.281 18679 4000 1 12 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.285 -0.471 18679 4001 1 12 . 1 1 15 15 PHE C C 15 171.414 171.414 172.981 -1.567 18679 4002 1 12 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.073 -1.353 18679 4003 1 12 . 1 1 15 15 PHE CB C 15 42.723 42.723 40.595 2.128 18679 4004 1 12 . 1 1 15 15 PHE H H 15 6.572 6.572 7.455 -0.883 18679 4005 1 12 . 1 1 16 16 GLY N N 16 105.419 105.419 104.776 0.643 18679 4006 1 12 . 1 1 16 16 GLY C C 16 173.812 173.812 171.462 2.350 18679 4007 1 12 . 1 1 16 16 GLY CA C 16 44.912 44.912 45.222 -0.310 18679 4008 1 12 . 1 1 16 16 GLY H H 16 7.851 7.851 7.638 0.213 18679 4009 1 12 . 1 1 17 17 PHE N N 17 115.154 115.154 118.770 -3.616 18679 4010 1 12 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.280 -0.272 18679 4011 1 12 . 1 1 17 17 PHE C C 17 174.568 174.568 174.544 0.024 18679 4012 1 12 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.741 -0.017 18679 4013 1 12 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.703 2.486 18679 4014 1 12 . 1 1 17 17 PHE H H 17 7.800 7.800 8.338 -0.538 18679 4015 1 12 . 1 1 18 18 ILE N N 18 122.756 122.756 122.734 0.022 18679 4016 1 12 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.587 -0.526 18679 4017 1 12 . 1 1 18 18 ILE C C 18 174.459 174.459 175.311 -0.852 18679 4018 1 12 . 1 1 18 18 ILE CA C 18 60.156 60.156 59.844 0.312 18679 4019 1 12 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.639 0.741 18679 4020 1 12 . 1 1 18 18 ILE H H 18 9.337 9.337 8.538 0.799 18679 4021 1 12 . 1 1 19 19 GLU N N 19 126.777 126.777 126.444 0.333 18679 4022 1 12 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.439 0.476 18679 4023 1 12 . 1 1 19 19 GLU C C 19 175.169 175.169 174.961 0.208 18679 4024 1 12 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.549 -0.569 18679 4025 1 12 . 1 1 19 19 GLU CB C 19 32.204 32.204 29.927 2.277 18679 4026 1 12 . 1 1 19 19 GLU H H 19 9.294 9.294 8.467 0.827 18679 4027 1 12 . 1 1 20 20 ARG N N 20 123.573 123.573 128.661 -5.088 18679 4028 1 12 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.654 -0.634 18679 4029 1 12 . 1 1 20 20 ARG C C 20 176.345 176.345 176.122 0.223 18679 4030 1 12 . 1 1 20 20 ARG CA C 20 55.406 55.406 55.280 0.126 18679 4031 1 12 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.437 1.193 18679 4032 1 12 . 1 1 20 20 ARG H H 20 9.290 9.290 8.410 0.880 18679 4033 1 12 . 1 1 21 21 GLU N N 21 121.542 121.542 127.456 -5.914 18679 4034 1 12 . 1 1 21 21 GLU HA H 21 4.100 4.100 3.818 0.282 18679 4035 1 12 . 1 1 21 21 GLU C C 21 177.265 177.265 176.649 0.616 18679 4036 1 12 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.168 -0.373 18679 4037 1 12 . 1 1 21 21 GLU CB C 21 29.908 29.908 27.819 2.089 18679 4038 1 12 . 1 1 21 21 GLU H H 21 9.066 9.066 9.299 -0.233 18679 4039 1 12 . 1 1 22 22 ASN N N 22 115.336 115.336 120.660 -5.324 18679 4040 1 12 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.623 0.125 18679 4041 1 12 . 1 1 22 22 ASN C C 22 174.806 174.806 176.473 -1.667 18679 4042 1 12 . 1 1 22 22 ASN CA C 22 53.129 53.129 54.053 -0.924 18679 4043 1 12 . 1 1 22 22 ASN CB C 22 39.020 39.020 40.276 -1.256 18679 4044 1 12 . 1 1 22 22 ASN H H 22 8.257 8.257 8.546 -0.289 18679 4045 1 12 . 1 1 23 23 GLY N N 23 107.564 107.564 107.412 0.152 18679 4046 1 12 . 1 1 23 23 GLY C C 23 172.948 172.948 173.845 -0.897 18679 4047 1 12 . 1 1 23 23 GLY CA C 23 44.696 44.696 44.799 -0.103 18679 4048 1 12 . 1 1 23 23 GLY H H 23 7.866 7.866 8.325 -0.459 18679 4049 1 12 . 1 1 24 24 ASP N N 24 120.038 120.038 122.398 -2.360 18679 4050 1 12 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.610 0.018 18679 4051 1 12 . 1 1 24 24 ASP C C 24 175.559 175.559 175.206 0.353 18679 4052 1 12 . 1 1 24 24 ASP CA C 24 54.453 54.453 53.535 0.918 18679 4053 1 12 . 1 1 24 24 ASP CB C 24 41.544 41.544 39.278 2.267 18679 4054 1 12 . 1 1 24 24 ASP H H 24 8.370 8.370 7.826 0.544 18679 4055 1 12 . 1 1 25 25 ASP N N 25 120.666 120.666 120.032 0.634 18679 4056 1 12 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.742 0.179 18679 4057 1 12 . 1 1 25 25 ASP C C 25 176.258 176.258 176.214 0.044 18679 4058 1 12 . 1 1 25 25 ASP CA C 25 54.973 54.973 54.209 0.764 18679 4059 1 12 . 1 1 25 25 ASP CB C 25 42.488 42.488 41.431 1.057 18679 4060 1 12 . 1 1 25 25 ASP H H 25 8.698 8.698 8.017 0.681 18679 4061 1 12 . 1 1 26 26 VAL N N 26 120.541 120.541 122.293 -1.752 18679 4062 1 12 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.205 0.141 18679 4063 1 12 . 1 1 26 26 VAL C C 26 174.724 174.724 175.333 -0.609 18679 4064 1 12 . 1 1 26 26 VAL CA C 26 60.847 60.847 61.840 -0.993 18679 4065 1 12 . 1 1 26 26 VAL CB C 26 34.500 34.500 33.041 1.459 18679 4066 1 12 . 1 1 26 26 VAL H H 26 9.365 9.365 8.634 0.731 18679 4067 1 12 . 1 1 27 27 PHE N N 27 130.752 130.752 129.038 1.714 18679 4068 1 12 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.812 -1.282 18679 4069 1 12 . 1 1 27 27 PHE C C 27 172.517 172.517 174.314 -1.797 18679 4070 1 12 . 1 1 27 27 PHE CA C 27 58.978 58.978 57.636 1.342 18679 4071 1 12 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.085 -0.151 18679 4072 1 12 . 1 1 27 27 PHE H H 27 8.335 8.335 8.781 -0.446 18679 4073 1 12 . 1 1 28 28 VAL N N 28 124.530 124.530 126.967 -2.437 18679 4074 1 12 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.310 0.083 18679 4075 1 12 . 1 1 28 28 VAL C C 28 170.556 170.556 173.566 -3.010 18679 4076 1 12 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.067 -1.361 18679 4077 1 12 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.901 -0.304 18679 4078 1 12 . 1 1 28 28 VAL H H 28 7.411 7.411 8.058 -0.647 18679 4079 1 12 . 1 1 29 29 HIS N N 29 127.448 127.448 117.504 9.944 18679 4080 1 12 . 1 1 29 29 HIS HA H 29 4.559 4.559 4.848 -0.289 18679 4081 1 12 . 1 1 29 29 HIS C C 29 177.582 177.582 175.610 1.972 18679 4082 1 12 . 1 1 29 29 HIS CA C 29 55.739 55.739 53.943 1.796 18679 4083 1 12 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.609 0.933 18679 4084 1 12 . 1 1 29 29 HIS H H 29 8.561 8.561 8.002 0.559 18679 4085 1 12 . 1 1 30 30 PHE N N 30 122.691 122.691 119.732 2.959 18679 4086 1 12 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.129 -0.267 18679 4087 1 12 . 1 1 30 30 PHE CA C 30 59.990 59.990 61.896 -1.906 18679 4088 1 12 . 1 1 30 30 PHE CB C 30 36.480 36.480 39.038 -2.558 18679 4089 1 12 . 1 1 30 30 PHE H H 30 7.970 7.970 8.293 -0.323 18679 4090 1 12 . 1 1 31 31 SER N N 31 118.356 118.356 112.766 5.590 18679 4091 1 12 . 1 1 31 31 SER HA H 31 3.858 3.858 4.219 -0.361 18679 4092 1 12 . 1 1 31 31 SER C C 31 175.382 175.382 174.712 0.670 18679 4093 1 12 . 1 1 31 31 SER CA C 31 59.761 59.761 59.421 0.340 18679 4094 1 12 . 1 1 31 31 SER CB C 31 62.630 62.630 63.016 -0.386 18679 4095 1 12 . 1 1 31 31 SER H H 31 7.623 7.623 8.470 -0.847 18679 4096 1 12 . 1 1 32 32 ALA N N 32 124.536 124.536 122.637 1.899 18679 4097 1 12 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.413 -0.008 18679 4098 1 12 . 1 1 32 32 ALA C C 32 177.706 177.706 177.016 0.690 18679 4099 1 12 . 1 1 32 32 ALA CA C 32 52.384 52.384 51.934 0.450 18679 4100 1 12 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.302 0.871 18679 4101 1 12 . 1 1 32 32 ALA H H 32 7.902 7.902 7.369 0.533 18679 4102 1 12 . 1 1 33 33 ILE N N 33 121.051 121.051 119.776 1.275 18679 4103 1 12 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.800 0.041 18679 4104 1 12 . 1 1 33 33 ILE C C 33 175.517 175.517 176.378 -0.861 18679 4105 1 12 . 1 1 33 33 ILE CA C 33 62.252 62.252 62.467 -0.215 18679 4106 1 12 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.197 -0.213 18679 4107 1 12 . 1 1 33 33 ILE H H 33 7.595 7.595 7.284 0.311 18679 4108 1 12 . 1 1 34 34 GLN N N 34 126.803 126.803 123.616 3.187 18679 4109 1 12 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.248 0.007 18679 4110 1 12 . 1 1 34 34 GLN C C 34 176.167 176.167 176.034 0.133 18679 4111 1 12 . 1 1 34 34 GLN CA C 34 55.872 55.872 55.518 0.354 18679 4112 1 12 . 1 1 34 34 GLN CB C 34 29.510 29.510 28.099 1.411 18679 4113 1 12 . 1 1 34 34 GLN H H 34 8.714 8.714 8.067 0.647 18679 4114 1 12 . 1 1 35 35 GLY N N 35 110.928 110.928 108.971 1.957 18679 4115 1 12 . 1 1 35 35 GLY C C 35 172.763 172.763 173.614 -0.851 18679 4116 1 12 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.396 0.442 18679 4117 1 12 . 1 1 35 35 GLY H H 35 8.411 8.411 7.223 1.188 18679 4118 1 12 . 1 1 36 36 ASP N N 36 119.994 119.994 126.055 -6.061 18679 4119 1 12 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.473 0.326 18679 4120 1 12 . 1 1 36 36 ASP C C 36 176.584 176.584 176.837 -0.253 18679 4121 1 12 . 1 1 36 36 ASP CA C 36 53.957 53.957 54.094 -0.138 18679 4122 1 12 . 1 1 36 36 ASP CB C 36 42.297 42.297 41.396 0.901 18679 4123 1 12 . 1 1 36 36 ASP H H 36 8.319 8.319 8.259 0.060 18679 4124 1 12 . 1 1 37 37 GLY N N 37 108.688 108.688 113.890 -5.202 18679 4125 1 12 . 1 1 37 37 GLY C C 37 176.528 176.528 173.928 2.600 18679 4126 1 12 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.120 -0.444 18679 4127 1 12 . 1 1 37 37 GLY H H 37 8.390 8.390 8.262 0.128 18679 4128 1 12 . 1 1 38 38 PHE N N 38 122.793 122.793 124.170 -1.377 18679 4129 1 12 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.595 0.172 18679 4130 1 12 . 1 1 38 38 PHE C C 38 175.402 175.402 175.082 0.320 18679 4131 1 12 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.741 2.251 18679 4132 1 12 . 1 1 38 38 PHE CB C 38 39.043 39.043 37.907 1.136 18679 4133 1 12 . 1 1 38 38 PHE H H 38 8.423 8.423 8.288 0.135 18679 4134 1 12 . 1 1 39 39 LYS N N 39 123.349 123.349 124.636 -1.287 18679 4135 1 12 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.677 -0.344 18679 4136 1 12 . 1 1 39 39 LYS C C 39 169.990 169.990 175.945 -5.955 18679 4137 1 12 . 1 1 39 39 LYS CA C 39 55.478 55.478 54.682 0.796 18679 4138 1 12 . 1 1 39 39 LYS CB C 39 32.335 32.335 35.285 -2.950 18679 4139 1 12 . 1 1 39 39 LYS H H 39 8.592 8.592 8.375 0.217 18679 4140 1 12 . 1 1 40 40 SER N N 40 113.941 113.941 118.011 -4.070 18679 4141 1 12 . 1 1 40 40 SER HA H 40 3.673 3.673 4.643 -0.970 18679 4142 1 12 . 1 1 40 40 SER CA C 40 57.015 57.015 57.352 -0.337 18679 4143 1 12 . 1 1 40 40 SER CB C 40 64.589 64.589 63.907 0.682 18679 4144 1 12 . 1 1 40 40 SER H H 40 7.444 7.444 8.563 -1.119 18679 4145 1 12 . 1 1 41 41 LEU N N 41 117.107 117.107 126.119 -9.012 18679 4146 1 12 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.119 0.275 18679 4147 1 12 . 1 1 41 41 LEU C C 41 173.917 173.917 175.795 -1.878 18679 4148 1 12 . 1 1 41 41 LEU CA C 41 52.414 52.414 54.956 -2.542 18679 4149 1 12 . 1 1 41 41 LEU CB C 41 46.815 46.815 42.421 4.394 18679 4150 1 12 . 1 1 41 41 LEU H H 41 5.598 5.598 8.157 -2.559 18679 4151 1 12 . 1 1 42 42 ASP N N 42 118.896 118.896 124.191 -5.295 18679 4152 1 12 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.514 0.380 18679 4153 1 12 . 1 1 42 42 ASP C C 42 175.559 175.559 175.915 -0.356 18679 4154 1 12 . 1 1 42 42 ASP CA C 42 52.777 52.777 54.693 -1.916 18679 4155 1 12 . 1 1 42 42 ASP CB C 42 42.970 42.970 41.498 1.472 18679 4156 1 12 . 1 1 42 42 ASP H H 42 8.156 8.156 8.224 -0.068 18679 4157 1 12 . 1 1 43 43 GLU N N 43 121.023 121.023 123.079 -2.056 18679 4158 1 12 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.391 -0.873 18679 4159 1 12 . 1 1 43 43 GLU C C 43 177.211 177.211 177.570 -0.359 18679 4160 1 12 . 1 1 43 43 GLU CA C 43 58.444 58.444 56.874 1.570 18679 4161 1 12 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.136 0.395 18679 4162 1 12 . 1 1 43 43 GLU H H 43 8.689 8.689 8.620 0.069 18679 4163 1 12 . 1 1 44 44 GLY N N 44 113.916 113.916 113.739 0.177 18679 4164 1 12 . 1 1 44 44 GLY C C 44 173.870 173.870 174.110 -0.240 18679 4165 1 12 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.672 0.522 18679 4166 1 12 . 1 1 44 44 GLY H H 44 8.971 8.971 9.239 -0.268 18679 4167 1 12 . 1 1 45 45 GLN N N 45 120.533 120.533 121.377 -0.844 18679 4168 1 12 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.271 -0.094 18679 4169 1 12 . 1 1 45 45 GLN C C 45 175.454 175.454 174.558 0.896 18679 4170 1 12 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.928 1.177 18679 4171 1 12 . 1 1 45 45 GLN CB C 45 30.398 30.398 29.758 0.640 18679 4172 1 12 . 1 1 45 45 GLN H H 45 7.634 7.634 7.753 -0.119 18679 4173 1 12 . 1 1 46 46 ALA N N 46 130.118 130.118 129.959 0.159 18679 4174 1 12 . 1 1 46 46 ALA HA H 46 4.933 4.933 4.776 0.157 18679 4175 1 12 . 1 1 46 46 ALA C C 46 178.148 178.148 176.269 1.879 18679 4176 1 12 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.063 1.143 18679 4177 1 12 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.183 -0.200 18679 4178 1 12 . 1 1 46 46 ALA H H 46 8.894 8.894 8.569 0.325 18679 4179 1 12 . 1 1 47 47 VAL N N 47 114.581 114.581 120.527 -5.946 18679 4180 1 12 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.636 0.772 18679 4181 1 12 . 1 1 47 47 VAL C C 47 175.654 175.654 174.758 0.896 18679 4182 1 12 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.750 -0.878 18679 4183 1 12 . 1 1 47 47 VAL CB C 47 37.129 37.129 34.382 2.747 18679 4184 1 12 . 1 1 47 47 VAL H H 47 8.591 8.591 9.115 -0.524 18679 4185 1 12 . 1 1 48 48 THR N N 48 113.346 113.346 115.218 -1.872 18679 4186 1 12 . 1 1 48 48 THR HA H 48 5.398 5.398 5.190 0.208 18679 4187 1 12 . 1 1 48 48 THR C C 48 177.527 177.527 174.167 3.360 18679 4188 1 12 . 1 1 48 48 THR CA C 48 60.253 60.253 60.045 0.208 18679 4189 1 12 . 1 1 48 48 THR CB C 48 71.323 71.323 69.599 1.724 18679 4190 1 12 . 1 1 48 48 THR H H 48 8.943 8.943 8.762 0.181 18679 4191 1 12 . 1 1 49 49 PHE N N 49 116.531 116.531 122.920 -6.389 18679 4192 1 12 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.793 -0.790 18679 4193 1 12 . 1 1 49 49 PHE C C 49 171.900 171.900 174.210 -2.310 18679 4194 1 12 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.891 1.698 18679 4195 1 12 . 1 1 49 49 PHE CB C 49 39.741 39.741 41.838 -2.097 18679 4196 1 12 . 1 1 49 49 PHE H H 49 8.214 8.214 7.762 0.452 18679 4197 1 12 . 1 1 50 50 ASP N N 50 118.134 118.134 121.288 -3.154 18679 4198 1 12 . 1 1 50 50 ASP HA H 50 5.167 5.167 4.995 0.172 18679 4199 1 12 . 1 1 50 50 ASP C C 50 175.559 175.559 174.850 0.709 18679 4200 1 12 . 1 1 50 50 ASP CA C 50 53.971 53.971 53.930 0.041 18679 4201 1 12 . 1 1 50 50 ASP CB C 50 43.986 43.986 43.422 0.564 18679 4202 1 12 . 1 1 50 50 ASP H H 50 8.862 8.862 8.832 0.030 18679 4203 1 12 . 1 1 51 51 VAL N N 51 120.815 120.815 123.028 -2.213 18679 4204 1 12 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.773 -0.003 18679 4205 1 12 . 1 1 51 51 VAL C C 51 175.378 175.378 175.026 0.352 18679 4206 1 12 . 1 1 51 51 VAL CA C 51 62.046 62.046 60.782 1.264 18679 4207 1 12 . 1 1 51 51 VAL CB C 51 33.854 33.854 33.748 0.106 18679 4208 1 12 . 1 1 51 51 VAL H H 51 8.700 8.700 8.644 0.056 18679 4209 1 12 . 1 1 52 52 GLU N N 52 127.575 127.575 128.727 -1.152 18679 4210 1 12 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.765 0.015 18679 4211 1 12 . 1 1 52 52 GLU C C 52 175.436 175.436 174.851 0.585 18679 4212 1 12 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.688 -0.555 18679 4213 1 12 . 1 1 52 52 GLU CB C 52 32.295 32.295 33.484 -1.189 18679 4214 1 12 . 1 1 52 52 GLU H H 52 9.062 9.062 9.264 -0.202 18679 4215 1 12 . 1 1 53 53 GLU N N 53 124.119 124.119 121.595 2.524 18679 4216 1 12 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.437 -0.177 18679 4217 1 12 . 1 1 53 53 GLU C C 53 176.436 176.436 175.880 0.556 18679 4218 1 12 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.862 0.555 18679 4219 1 12 . 1 1 53 53 GLU CB C 53 29.392 29.392 31.332 -1.940 18679 4220 1 12 . 1 1 53 53 GLU H H 53 8.808 8.808 8.710 0.098 18679 4221 1 12 . 1 1 54 54 GLY N N 54 113.794 113.794 111.816 1.978 18679 4222 1 12 . 1 1 54 54 GLY C C 54 175.559 175.559 174.097 1.462 18679 4223 1 12 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.245 0.282 18679 4224 1 12 . 1 1 54 54 GLY H H 54 7.822 7.822 8.113 -0.291 18679 4225 1 12 . 1 1 55 55 GLN N N 55 121.059 121.059 117.721 3.338 18679 4226 1 12 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.121 0.636 18679 4227 1 12 . 1 1 55 55 GLN C C 55 177.419 177.419 177.683 -0.264 18679 4228 1 12 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.478 1.146 18679 4229 1 12 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.755 0.478 18679 4230 1 12 . 1 1 55 55 GLN H H 55 8.685 8.685 8.120 0.565 18679 4231 1 12 . 1 1 56 56 ARG N N 56 116.444 116.444 120.077 -3.633 18679 4232 1 12 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.307 0.119 18679 4233 1 12 . 1 1 56 56 ARG C C 56 175.110 175.110 175.927 -0.817 18679 4234 1 12 . 1 1 56 56 ARG CA C 56 54.836 54.836 56.127 -1.291 18679 4235 1 12 . 1 1 56 56 ARG CB C 56 30.092 30.092 30.774 -0.682 18679 4236 1 12 . 1 1 56 56 ARG H H 56 8.491 8.491 8.316 0.175 18679 4237 1 12 . 1 1 57 57 GLY N N 57 107.667 107.667 106.305 1.362 18679 4238 1 12 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.530 -0.329 18679 4239 1 12 . 1 1 57 57 GLY H H 57 7.316 7.316 7.615 -0.299 18679 4240 1 12 . 1 1 58 58 PRO HA H 58 4.810 4.810 5.020 -0.210 18679 4241 1 12 . 1 1 58 58 PRO C C 58 176.345 176.345 175.760 0.585 18679 4242 1 12 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.577 0.541 18679 4243 1 12 . 1 1 58 58 PRO CB C 58 32.517 32.517 31.924 0.593 18679 4244 1 12 . 1 1 59 59 GLN N N 59 121.136 121.136 122.317 -1.181 18679 4245 1 12 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.246 -0.086 18679 4246 1 12 . 1 1 59 59 GLN C C 59 173.910 173.910 174.080 -0.170 18679 4247 1 12 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.181 1.103 18679 4248 1 12 . 1 1 59 59 GLN CB C 59 32.688 32.688 33.073 -0.385 18679 4249 1 12 . 1 1 59 59 GLN H H 59 9.086 9.086 9.146 -0.060 18679 4250 1 12 . 1 1 60 60 ALA N N 60 123.241 123.241 123.290 -0.049 18679 4251 1 12 . 1 1 60 60 ALA HA H 60 4.878 4.878 5.169 -0.291 18679 4252 1 12 . 1 1 60 60 ALA C C 60 176.210 176.210 175.410 0.800 18679 4253 1 12 . 1 1 60 60 ALA CA C 60 51.216 51.216 50.283 0.933 18679 4254 1 12 . 1 1 60 60 ALA CB C 60 20.271 20.271 20.708 -0.437 18679 4255 1 12 . 1 1 60 60 ALA H H 60 8.796 8.796 8.661 0.135 18679 4256 1 12 . 1 1 61 61 ALA N N 61 123.741 123.741 124.984 -1.243 18679 4257 1 12 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.795 -0.125 18679 4258 1 12 . 1 1 61 61 ALA C C 61 175.840 175.840 175.726 0.114 18679 4259 1 12 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.407 0.461 18679 4260 1 12 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.739 0.324 18679 4261 1 12 . 1 1 61 61 ALA H H 61 9.165 9.165 9.159 0.006 18679 4262 1 12 . 1 1 62 62 ASN N N 62 118.727 118.727 117.643 1.084 18679 4263 1 12 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.328 -0.078 18679 4264 1 12 . 1 1 62 62 ASN C C 62 178.093 178.093 174.061 4.032 18679 4265 1 12 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.179 -0.212 18679 4266 1 12 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.192 1.037 18679 4267 1 12 . 1 1 62 62 ASN H H 62 9.288 9.288 8.914 0.374 18679 4268 1 12 . 1 1 63 63 VAL N N 63 116.869 116.869 121.311 -4.442 18679 4269 1 12 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.167 0.216 18679 4270 1 12 . 1 1 63 63 VAL C C 63 175.378 175.378 174.405 0.973 18679 4271 1 12 . 1 1 63 63 VAL CA C 63 63.116 63.116 62.425 0.691 18679 4272 1 12 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.258 0.251 18679 4273 1 12 . 1 1 63 63 VAL H H 63 8.129 8.129 8.582 -0.453 18679 4274 1 12 . 1 1 64 64 GLN N N 64 127.534 127.534 126.368 1.166 18679 4275 1 12 . 1 1 64 64 GLN HA H 64 4.777 4.777 5.004 -0.227 18679 4276 1 12 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.640 0.493 18679 4277 1 12 . 1 1 64 64 GLN CB C 64 32.174 32.174 32.568 -0.394 18679 4278 1 12 . 1 1 64 64 GLN H H 64 9.104 9.104 8.262 0.842 18679 4279 1 12 . 1 1 65 65 LYS N N 65 122.593 122.593 118.477 4.116 18679 4280 1 12 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.438 -0.143 18679 4281 1 12 . 1 1 65 65 LYS C C 65 175.520 175.520 175.928 -0.408 18679 4282 1 12 . 1 1 65 65 LYS CA C 65 57.760 57.760 55.316 2.444 18679 4283 1 12 . 1 1 65 65 LYS CB C 65 32.714 32.714 33.613 -0.899 18679 4284 1 12 . 1 1 65 65 LYS H H 65 8.637 8.637 8.268 0.369 18679 4285 1 13 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.360 0.566 18679 4286 1 13 . 1 1 2 2 GLU C C 2 173.979 173.979 174.542 -0.563 18679 4287 1 13 . 1 1 2 2 GLU CB C 2 26.849 26.849 29.894 -3.045 18679 4288 1 13 . 1 1 3 3 GLN N N 3 116.901 116.901 126.485 -9.584 18679 4289 1 13 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.573 0.577 18679 4290 1 13 . 1 1 3 3 GLN C C 3 175.962 175.962 175.467 0.495 18679 4291 1 13 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.992 -0.868 18679 4292 1 13 . 1 1 3 3 GLN CB C 3 31.938 31.938 29.174 2.764 18679 4293 1 13 . 1 1 3 3 GLN H H 3 8.202 8.202 8.662 -0.460 18679 4294 1 13 . 1 1 4 4 GLY N N 4 108.174 108.174 114.285 -6.111 18679 4295 1 13 . 1 1 4 4 GLY C C 4 172.109 172.109 173.208 -1.099 18679 4296 1 13 . 1 1 4 4 GLY CA C 4 45.614 45.614 43.956 1.658 18679 4297 1 13 . 1 1 4 4 GLY H H 4 8.629 8.629 8.941 -0.312 18679 4298 1 13 . 1 1 5 5 THR N N 5 114.528 114.528 115.257 -0.729 18679 4299 1 13 . 1 1 5 5 THR HA H 5 5.210 5.210 5.380 -0.170 18679 4300 1 13 . 1 1 5 5 THR C C 5 173.994 173.994 175.227 -1.233 18679 4301 1 13 . 1 1 5 5 THR CA C 5 60.077 60.077 60.087 -0.010 18679 4302 1 13 . 1 1 5 5 THR CB C 5 71.635 71.635 70.006 1.629 18679 4303 1 13 . 1 1 5 5 THR H H 5 8.417 8.417 8.168 0.249 18679 4304 1 13 . 1 1 6 6 VAL N N 6 125.816 125.816 126.428 -0.612 18679 4305 1 13 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.986 -0.465 18679 4306 1 13 . 1 1 6 6 VAL C C 6 175.620 175.620 176.424 -0.804 18679 4307 1 13 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.279 1.788 18679 4308 1 13 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.797 0.835 18679 4309 1 13 . 1 1 6 6 VAL H H 6 8.908 8.908 8.604 0.304 18679 4310 1 13 . 1 1 7 7 LYS N N 7 135.919 135.919 129.182 6.737 18679 4311 1 13 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.309 -0.095 18679 4312 1 13 . 1 1 7 7 LYS C C 7 175.913 175.913 176.473 -0.560 18679 4313 1 13 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.242 -0.488 18679 4314 1 13 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.848 1.244 18679 4315 1 13 . 1 1 7 7 LYS H H 7 9.260 9.260 9.093 0.167 18679 4316 1 13 . 1 1 8 8 TRP N N 8 110.597 110.597 115.820 -5.223 18679 4317 1 13 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.960 -0.393 18679 4318 1 13 . 1 1 8 8 TRP C C 8 173.327 173.327 173.181 0.146 18679 4319 1 13 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.840 0.031 18679 4320 1 13 . 1 1 8 8 TRP CB C 8 30.675 30.675 30.751 -0.076 18679 4321 1 13 . 1 1 8 8 TRP H H 8 7.372 7.372 7.749 -0.377 18679 4322 1 13 . 1 1 9 9 PHE N N 9 120.373 120.373 116.745 3.628 18679 4323 1 13 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.500 -0.320 18679 4324 1 13 . 1 1 9 9 PHE C C 9 172.561 172.561 173.367 -0.806 18679 4325 1 13 . 1 1 9 9 PHE CA C 9 59.110 59.110 55.646 3.464 18679 4326 1 13 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.545 1.742 18679 4327 1 13 . 1 1 9 9 PHE H H 9 9.265 9.265 8.334 0.931 18679 4328 1 13 . 1 1 10 10 ASN N N 10 127.710 127.710 123.162 4.548 18679 4329 1 13 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.573 0.360 18679 4330 1 13 . 1 1 10 10 ASN C C 10 174.373 174.373 175.060 -0.687 18679 4331 1 13 . 1 1 10 10 ASN CA C 10 51.898 51.898 51.002 0.896 18679 4332 1 13 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.344 1.565 18679 4333 1 13 . 1 1 10 10 ASN H H 10 8.223 8.223 8.054 0.169 18679 4334 1 13 . 1 1 11 11 ALA N N 11 129.186 129.186 128.231 0.955 18679 4335 1 13 . 1 1 11 11 ALA HA H 11 4.303 4.303 4.283 0.020 18679 4336 1 13 . 1 1 11 11 ALA C C 11 176.087 176.087 178.655 -2.568 18679 4337 1 13 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.098 -0.289 18679 4338 1 13 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.802 -0.101 18679 4339 1 13 . 1 1 11 11 ALA H H 11 9.119 9.119 7.914 1.205 18679 4340 1 13 . 1 1 12 12 GLU N N 12 116.366 116.366 117.312 -0.946 18679 4341 1 13 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.232 -0.209 18679 4342 1 13 . 1 1 12 12 GLU C C 12 175.119 175.119 177.505 -2.386 18679 4343 1 13 . 1 1 12 12 GLU CA C 12 58.448 58.448 57.473 0.975 18679 4344 1 13 . 1 1 12 12 GLU CB C 12 29.156 29.156 30.003 -0.847 18679 4345 1 13 . 1 1 12 12 GLU H H 12 8.082 8.082 8.074 0.008 18679 4346 1 13 . 1 1 13 13 LYS N N 13 113.821 113.821 117.470 -3.649 18679 4347 1 13 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.558 -0.246 18679 4348 1 13 . 1 1 13 13 LYS C C 13 177.130 177.130 177.471 -0.341 18679 4349 1 13 . 1 1 13 13 LYS CA C 13 56.812 56.812 56.038 0.774 18679 4350 1 13 . 1 1 13 13 LYS CB C 13 34.614 34.614 34.690 -0.076 18679 4351 1 13 . 1 1 13 13 LYS H H 13 7.273 7.273 7.703 -0.430 18679 4352 1 13 . 1 1 14 14 GLY N N 14 105.929 105.929 108.135 -2.206 18679 4353 1 13 . 1 1 14 14 GLY C C 14 172.485 172.485 172.605 -0.120 18679 4354 1 13 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.031 1.723 18679 4355 1 13 . 1 1 14 14 GLY H H 14 8.370 8.370 8.483 -0.113 18679 4356 1 13 . 1 1 15 15 PHE N N 15 112.060 112.060 115.842 -3.782 18679 4357 1 13 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.454 -0.640 18679 4358 1 13 . 1 1 15 15 PHE C C 15 171.414 171.414 172.758 -1.344 18679 4359 1 13 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.392 -1.672 18679 4360 1 13 . 1 1 15 15 PHE CB C 15 42.723 42.723 41.332 1.391 18679 4361 1 13 . 1 1 15 15 PHE H H 15 6.572 6.572 7.634 -1.062 18679 4362 1 13 . 1 1 16 16 GLY N N 16 105.419 105.419 105.968 -0.549 18679 4363 1 13 . 1 1 16 16 GLY C C 16 173.812 173.812 171.154 2.658 18679 4364 1 13 . 1 1 16 16 GLY CA C 16 44.912 44.912 44.359 0.553 18679 4365 1 13 . 1 1 16 16 GLY H H 16 7.851 7.851 8.488 -0.637 18679 4366 1 13 . 1 1 17 17 PHE N N 17 115.154 115.154 118.401 -3.247 18679 4367 1 13 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.442 -0.434 18679 4368 1 13 . 1 1 17 17 PHE C C 17 174.568 174.568 174.629 -0.061 18679 4369 1 13 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.484 0.240 18679 4370 1 13 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.415 2.774 18679 4371 1 13 . 1 1 17 17 PHE H H 17 7.800 7.800 8.503 -0.703 18679 4372 1 13 . 1 1 18 18 ILE N N 18 122.756 122.756 123.248 -0.492 18679 4373 1 13 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.590 -0.529 18679 4374 1 13 . 1 1 18 18 ILE C C 18 174.459 174.459 175.265 -0.806 18679 4375 1 13 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.111 0.045 18679 4376 1 13 . 1 1 18 18 ILE CB C 18 41.379 41.379 39.567 1.812 18679 4377 1 13 . 1 1 18 18 ILE H H 18 9.337 9.337 9.043 0.294 18679 4378 1 13 . 1 1 19 19 GLU N N 19 126.777 126.777 127.434 -0.657 18679 4379 1 13 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.625 0.290 18679 4380 1 13 . 1 1 19 19 GLU C C 19 175.169 175.169 175.152 0.017 18679 4381 1 13 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.877 -0.897 18679 4382 1 13 . 1 1 19 19 GLU CB C 19 32.204 32.204 30.841 1.363 18679 4383 1 13 . 1 1 19 19 GLU H H 19 9.294 9.294 8.777 0.517 18679 4384 1 13 . 1 1 20 20 ARG N N 20 123.573 123.573 122.743 0.830 18679 4385 1 13 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.498 -0.478 18679 4386 1 13 . 1 1 20 20 ARG C C 20 176.345 176.345 177.089 -0.744 18679 4387 1 13 . 1 1 20 20 ARG CA C 20 55.406 55.406 55.463 -0.057 18679 4388 1 13 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.366 1.264 18679 4389 1 13 . 1 1 20 20 ARG H H 20 9.290 9.290 8.374 0.916 18679 4390 1 13 . 1 1 21 21 GLU N N 21 121.542 121.542 121.818 -0.276 18679 4391 1 13 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.297 -0.197 18679 4392 1 13 . 1 1 21 21 GLU C C 21 177.265 177.265 176.298 0.967 18679 4393 1 13 . 1 1 21 21 GLU CA C 21 58.795 58.795 58.110 0.685 18679 4394 1 13 . 1 1 21 21 GLU CB C 21 29.908 29.908 28.666 1.242 18679 4395 1 13 . 1 1 21 21 GLU H H 21 9.066 9.066 8.913 0.153 18679 4396 1 13 . 1 1 22 22 ASN N N 22 115.336 115.336 115.873 -0.537 18679 4397 1 13 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.803 -0.055 18679 4398 1 13 . 1 1 22 22 ASN C C 22 174.806 174.806 176.059 -1.253 18679 4399 1 13 . 1 1 22 22 ASN CA C 22 53.129 53.129 53.036 0.093 18679 4400 1 13 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.775 0.245 18679 4401 1 13 . 1 1 22 22 ASN H H 22 8.257 8.257 7.929 0.328 18679 4402 1 13 . 1 1 23 23 GLY N N 23 107.564 107.564 108.736 -1.172 18679 4403 1 13 . 1 1 23 23 GLY C C 23 172.948 172.948 173.727 -0.779 18679 4404 1 13 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.568 -0.872 18679 4405 1 13 . 1 1 23 23 GLY H H 23 7.866 7.866 8.120 -0.254 18679 4406 1 13 . 1 1 24 24 ASP N N 24 120.038 120.038 121.511 -1.473 18679 4407 1 13 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.653 -0.025 18679 4408 1 13 . 1 1 24 24 ASP C C 24 175.559 175.559 175.813 -0.254 18679 4409 1 13 . 1 1 24 24 ASP CA C 24 54.453 54.453 53.226 1.227 18679 4410 1 13 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.589 0.955 18679 4411 1 13 . 1 1 24 24 ASP H H 24 8.370 8.370 8.095 0.275 18679 4412 1 13 . 1 1 25 25 ASP N N 25 120.666 120.666 126.617 -5.951 18679 4413 1 13 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.639 0.282 18679 4414 1 13 . 1 1 25 25 ASP C C 25 176.258 176.258 176.335 -0.077 18679 4415 1 13 . 1 1 25 25 ASP CA C 25 54.973 54.973 55.212 -0.239 18679 4416 1 13 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.762 1.726 18679 4417 1 13 . 1 1 25 25 ASP H H 25 8.698 8.698 8.099 0.599 18679 4418 1 13 . 1 1 26 26 VAL N N 26 120.541 120.541 123.657 -3.116 18679 4419 1 13 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.095 0.251 18679 4420 1 13 . 1 1 26 26 VAL C C 26 174.724 174.724 175.302 -0.578 18679 4421 1 13 . 1 1 26 26 VAL CA C 26 60.847 60.847 62.279 -1.432 18679 4422 1 13 . 1 1 26 26 VAL CB C 26 34.500 34.500 32.554 1.946 18679 4423 1 13 . 1 1 26 26 VAL H H 26 9.365 9.365 8.832 0.533 18679 4424 1 13 . 1 1 27 27 PHE N N 27 130.752 130.752 129.732 1.020 18679 4425 1 13 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.607 -1.077 18679 4426 1 13 . 1 1 27 27 PHE C C 27 172.517 172.517 173.678 -1.161 18679 4427 1 13 . 1 1 27 27 PHE CA C 27 58.978 58.978 56.682 2.296 18679 4428 1 13 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.613 -0.679 18679 4429 1 13 . 1 1 27 27 PHE H H 27 8.335 8.335 9.152 -0.817 18679 4430 1 13 . 1 1 28 28 VAL N N 28 124.530 124.530 126.454 -1.924 18679 4431 1 13 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.220 0.173 18679 4432 1 13 . 1 1 28 28 VAL C C 28 170.556 170.556 173.004 -2.448 18679 4433 1 13 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.049 -1.343 18679 4434 1 13 . 1 1 28 28 VAL CB C 28 34.597 34.597 35.742 -1.145 18679 4435 1 13 . 1 1 28 28 VAL H H 28 7.411 7.411 8.381 -0.970 18679 4436 1 13 . 1 1 29 29 HIS N N 29 127.448 127.448 125.859 1.589 18679 4437 1 13 . 1 1 29 29 HIS HA H 29 4.559 4.559 4.971 -0.412 18679 4438 1 13 . 1 1 29 29 HIS C C 29 177.582 177.582 176.860 0.722 18679 4439 1 13 . 1 1 29 29 HIS CA C 29 55.739 55.739 53.614 2.125 18679 4440 1 13 . 1 1 29 29 HIS CB C 29 33.542 33.542 33.056 0.486 18679 4441 1 13 . 1 1 29 29 HIS H H 29 8.561 8.561 8.479 0.082 18679 4442 1 13 . 1 1 30 30 PHE N N 30 122.691 122.691 122.226 0.465 18679 4443 1 13 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.021 -0.159 18679 4444 1 13 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.555 -0.565 18679 4445 1 13 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.408 -1.928 18679 4446 1 13 . 1 1 30 30 PHE H H 30 7.970 7.970 8.607 -0.637 18679 4447 1 13 . 1 1 31 31 SER N N 31 118.356 118.356 113.933 4.423 18679 4448 1 13 . 1 1 31 31 SER HA H 31 3.858 3.858 4.109 -0.251 18679 4449 1 13 . 1 1 31 31 SER C C 31 175.382 175.382 175.187 0.195 18679 4450 1 13 . 1 1 31 31 SER CA C 31 59.761 59.761 58.475 1.286 18679 4451 1 13 . 1 1 31 31 SER CB C 31 62.630 62.630 63.135 -0.505 18679 4452 1 13 . 1 1 31 31 SER H H 31 7.623 7.623 7.382 0.241 18679 4453 1 13 . 1 1 32 32 ALA N N 32 124.536 124.536 123.252 1.284 18679 4454 1 13 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.379 0.026 18679 4455 1 13 . 1 1 32 32 ALA C C 32 177.706 177.706 177.179 0.527 18679 4456 1 13 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.441 -0.057 18679 4457 1 13 . 1 1 32 32 ALA CB C 32 21.173 21.173 19.847 1.326 18679 4458 1 13 . 1 1 32 32 ALA H H 32 7.902 7.902 7.650 0.252 18679 4459 1 13 . 1 1 33 33 ILE N N 33 121.051 121.051 118.514 2.537 18679 4460 1 13 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.866 -0.025 18679 4461 1 13 . 1 1 33 33 ILE C C 33 175.517 175.517 174.989 0.528 18679 4462 1 13 . 1 1 33 33 ILE CA C 33 62.252 62.252 60.878 1.374 18679 4463 1 13 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.817 -0.833 18679 4464 1 13 . 1 1 33 33 ILE H H 33 7.595 7.595 7.241 0.354 18679 4465 1 13 . 1 1 34 34 GLN N N 34 126.803 126.803 122.394 4.409 18679 4466 1 13 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.240 0.015 18679 4467 1 13 . 1 1 34 34 GLN C C 34 176.167 176.167 176.284 -0.117 18679 4468 1 13 . 1 1 34 34 GLN CA C 34 55.872 55.872 56.109 -0.237 18679 4469 1 13 . 1 1 34 34 GLN CB C 34 29.510 29.510 29.137 0.373 18679 4470 1 13 . 1 1 34 34 GLN H H 34 8.714 8.714 8.434 0.280 18679 4471 1 13 . 1 1 35 35 GLY N N 35 110.928 110.928 111.454 -0.526 18679 4472 1 13 . 1 1 35 35 GLY C C 35 172.763 172.763 173.464 -0.701 18679 4473 1 13 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.847 -0.009 18679 4474 1 13 . 1 1 35 35 GLY H H 35 8.411 8.411 8.824 -0.413 18679 4475 1 13 . 1 1 36 36 ASP N N 36 119.994 119.994 120.314 -0.320 18679 4476 1 13 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.769 0.030 18679 4477 1 13 . 1 1 36 36 ASP C C 36 176.584 176.584 175.921 0.663 18679 4478 1 13 . 1 1 36 36 ASP CA C 36 53.957 53.957 52.986 0.971 18679 4479 1 13 . 1 1 36 36 ASP CB C 36 42.297 42.297 42.939 -0.642 18679 4480 1 13 . 1 1 36 36 ASP H H 36 8.319 8.319 7.517 0.802 18679 4481 1 13 . 1 1 37 37 GLY N N 37 108.688 108.688 110.934 -2.246 18679 4482 1 13 . 1 1 37 37 GLY C C 37 176.528 176.528 173.442 3.086 18679 4483 1 13 . 1 1 37 37 GLY CA C 37 44.676 44.676 44.957 -0.281 18679 4484 1 13 . 1 1 37 37 GLY H H 37 8.390 8.390 8.336 0.054 18679 4485 1 13 . 1 1 38 38 PHE N N 38 122.793 122.793 123.985 -1.192 18679 4486 1 13 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.684 0.083 18679 4487 1 13 . 1 1 38 38 PHE C C 38 175.402 175.402 175.469 -0.067 18679 4488 1 13 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.148 2.844 18679 4489 1 13 . 1 1 38 38 PHE CB C 38 39.043 39.043 39.754 -0.711 18679 4490 1 13 . 1 1 38 38 PHE H H 38 8.423 8.423 8.220 0.203 18679 4491 1 13 . 1 1 39 39 LYS N N 39 123.349 123.349 122.993 0.356 18679 4492 1 13 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.159 0.174 18679 4493 1 13 . 1 1 39 39 LYS C C 39 169.990 169.990 175.993 -6.003 18679 4494 1 13 . 1 1 39 39 LYS CA C 39 55.478 55.478 57.126 -1.648 18679 4495 1 13 . 1 1 39 39 LYS CB C 39 32.335 32.335 32.694 -0.359 18679 4496 1 13 . 1 1 39 39 LYS H H 39 8.592 8.592 8.578 0.014 18679 4497 1 13 . 1 1 40 40 SER N N 40 113.941 113.941 113.746 0.195 18679 4498 1 13 . 1 1 40 40 SER HA H 40 3.673 3.673 4.414 -0.741 18679 4499 1 13 . 1 1 40 40 SER CA C 40 57.015 57.015 56.717 0.298 18679 4500 1 13 . 1 1 40 40 SER CB C 40 64.589 64.589 65.069 -0.479 18679 4501 1 13 . 1 1 40 40 SER H H 40 7.444 7.444 7.649 -0.205 18679 4502 1 13 . 1 1 41 41 LEU N N 41 117.107 117.107 126.516 -9.409 18679 4503 1 13 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.173 0.221 18679 4504 1 13 . 1 1 41 41 LEU C C 41 173.917 173.917 176.195 -2.278 18679 4505 1 13 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.905 -1.491 18679 4506 1 13 . 1 1 41 41 LEU CB C 41 46.815 46.815 41.786 5.029 18679 4507 1 13 . 1 1 41 41 LEU H H 41 5.598 5.598 8.064 -2.466 18679 4508 1 13 . 1 1 42 42 ASP N N 42 118.896 118.896 122.959 -4.063 18679 4509 1 13 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.536 0.358 18679 4510 1 13 . 1 1 42 42 ASP C C 42 175.559 175.559 175.707 -0.148 18679 4511 1 13 . 1 1 42 42 ASP CA C 42 52.777 52.777 54.259 -1.482 18679 4512 1 13 . 1 1 42 42 ASP CB C 42 42.970 42.970 41.748 1.222 18679 4513 1 13 . 1 1 42 42 ASP H H 42 8.156 8.156 8.106 0.050 18679 4514 1 13 . 1 1 43 43 GLU N N 43 121.023 121.023 121.949 -0.926 18679 4515 1 13 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.401 -0.883 18679 4516 1 13 . 1 1 43 43 GLU C C 43 177.211 177.211 176.880 0.331 18679 4517 1 13 . 1 1 43 43 GLU CA C 43 58.444 58.444 56.577 1.867 18679 4518 1 13 . 1 1 43 43 GLU CB C 43 29.531 29.531 28.051 1.480 18679 4519 1 13 . 1 1 43 43 GLU H H 43 8.689 8.689 8.876 -0.187 18679 4520 1 13 . 1 1 44 44 GLY N N 44 113.916 113.916 112.308 1.608 18679 4521 1 13 . 1 1 44 44 GLY C C 44 173.870 173.870 173.858 0.012 18679 4522 1 13 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.739 0.455 18679 4523 1 13 . 1 1 44 44 GLY H H 44 8.971 8.971 8.193 0.778 18679 4524 1 13 . 1 1 45 45 GLN N N 45 120.533 120.533 121.100 -0.567 18679 4525 1 13 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.272 -0.095 18679 4526 1 13 . 1 1 45 45 GLN C C 45 175.454 175.454 174.420 1.034 18679 4527 1 13 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.809 1.296 18679 4528 1 13 . 1 1 45 45 GLN CB C 45 30.398 30.398 29.978 0.420 18679 4529 1 13 . 1 1 45 45 GLN H H 45 7.634 7.634 7.784 -0.150 18679 4530 1 13 . 1 1 46 46 ALA N N 46 130.118 130.118 129.356 0.762 18679 4531 1 13 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.435 -0.502 18679 4532 1 13 . 1 1 46 46 ALA C C 46 178.148 178.148 176.316 1.832 18679 4533 1 13 . 1 1 46 46 ALA CA C 46 52.206 52.206 50.531 1.675 18679 4534 1 13 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.968 -0.986 18679 4535 1 13 . 1 1 46 46 ALA H H 46 8.894 8.894 8.399 0.494 18679 4536 1 13 . 1 1 47 47 VAL N N 47 114.581 114.581 119.860 -5.279 18679 4537 1 13 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.650 0.758 18679 4538 1 13 . 1 1 47 47 VAL C C 47 175.654 175.654 174.474 1.180 18679 4539 1 13 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.553 -0.681 18679 4540 1 13 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.490 1.639 18679 4541 1 13 . 1 1 47 47 VAL H H 47 8.591 8.591 9.023 -0.432 18679 4542 1 13 . 1 1 48 48 THR N N 48 113.346 113.346 115.297 -1.951 18679 4543 1 13 . 1 1 48 48 THR HA H 48 5.398 5.398 5.128 0.270 18679 4544 1 13 . 1 1 48 48 THR C C 48 177.527 177.527 174.928 2.599 18679 4545 1 13 . 1 1 48 48 THR CA C 48 60.253 60.253 60.058 0.195 18679 4546 1 13 . 1 1 48 48 THR CB C 48 71.323 71.323 68.369 2.954 18679 4547 1 13 . 1 1 48 48 THR H H 48 8.943 8.943 8.492 0.451 18679 4548 1 13 . 1 1 49 49 PHE N N 49 116.531 116.531 122.857 -6.326 18679 4549 1 13 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.753 -0.750 18679 4550 1 13 . 1 1 49 49 PHE C C 49 171.900 171.900 173.605 -1.705 18679 4551 1 13 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.622 1.967 18679 4552 1 13 . 1 1 49 49 PHE CB C 49 39.741 39.741 41.567 -1.826 18679 4553 1 13 . 1 1 49 49 PHE H H 49 8.214 8.214 8.318 -0.104 18679 4554 1 13 . 1 1 50 50 ASP N N 50 118.134 118.134 120.304 -2.170 18679 4555 1 13 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.298 -0.131 18679 4556 1 13 . 1 1 50 50 ASP C C 50 175.559 175.559 175.406 0.153 18679 4557 1 13 . 1 1 50 50 ASP CA C 50 53.971 53.971 53.018 0.953 18679 4558 1 13 . 1 1 50 50 ASP CB C 50 43.986 43.986 43.908 0.078 18679 4559 1 13 . 1 1 50 50 ASP H H 50 8.862 8.862 8.562 0.300 18679 4560 1 13 . 1 1 51 51 VAL N N 51 120.815 120.815 126.858 -6.043 18679 4561 1 13 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.094 0.676 18679 4562 1 13 . 1 1 51 51 VAL C C 51 175.378 175.378 175.006 0.372 18679 4563 1 13 . 1 1 51 51 VAL CA C 51 62.046 62.046 63.375 -1.329 18679 4564 1 13 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.825 1.029 18679 4565 1 13 . 1 1 51 51 VAL H H 51 8.700 8.700 9.264 -0.564 18679 4566 1 13 . 1 1 52 52 GLU N N 52 127.575 127.575 130.390 -2.815 18679 4567 1 13 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.691 0.089 18679 4568 1 13 . 1 1 52 52 GLU C C 52 175.436 175.436 175.630 -0.194 18679 4569 1 13 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.529 -0.396 18679 4570 1 13 . 1 1 52 52 GLU CB C 52 32.295 32.295 31.723 0.572 18679 4571 1 13 . 1 1 52 52 GLU H H 52 9.062 9.062 8.979 0.083 18679 4572 1 13 . 1 1 53 53 GLU N N 53 124.119 124.119 124.053 0.066 18679 4573 1 13 . 1 1 53 53 GLU HA H 53 4.260 4.260 5.103 -0.843 18679 4574 1 13 . 1 1 53 53 GLU C C 53 176.436 176.436 176.036 0.400 18679 4575 1 13 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.663 0.753 18679 4576 1 13 . 1 1 53 53 GLU CB C 53 29.392 29.392 30.498 -1.106 18679 4577 1 13 . 1 1 53 53 GLU H H 53 8.808 8.808 8.822 -0.014 18679 4578 1 13 . 1 1 54 54 GLY N N 54 113.794 113.794 113.468 0.326 18679 4579 1 13 . 1 1 54 54 GLY C C 54 175.559 175.559 174.822 0.737 18679 4580 1 13 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.986 -0.459 18679 4581 1 13 . 1 1 54 54 GLY H H 54 7.822 7.822 8.617 -0.795 18679 4582 1 13 . 1 1 55 55 GLN N N 55 121.059 121.059 119.701 1.358 18679 4583 1 13 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.116 0.641 18679 4584 1 13 . 1 1 55 55 GLN C C 55 177.419 177.419 177.308 0.111 18679 4585 1 13 . 1 1 55 55 GLN CA C 55 58.624 58.624 58.403 0.221 18679 4586 1 13 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.754 0.479 18679 4587 1 13 . 1 1 55 55 GLN H H 55 8.685 8.685 8.750 -0.065 18679 4588 1 13 . 1 1 56 56 ARG N N 56 116.444 116.444 117.297 -0.853 18679 4589 1 13 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.354 0.072 18679 4590 1 13 . 1 1 56 56 ARG C C 56 175.110 175.110 176.460 -1.350 18679 4591 1 13 . 1 1 56 56 ARG CA C 56 54.836 54.836 54.896 -0.060 18679 4592 1 13 . 1 1 56 56 ARG CB C 56 30.092 30.092 29.452 0.640 18679 4593 1 13 . 1 1 56 56 ARG H H 56 8.491 8.491 8.208 0.283 18679 4594 1 13 . 1 1 57 57 GLY N N 57 107.667 107.667 107.744 -0.077 18679 4595 1 13 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.805 -0.604 18679 4596 1 13 . 1 1 57 57 GLY H H 57 7.316 7.316 7.896 -0.580 18679 4597 1 13 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.710 0.100 18679 4598 1 13 . 1 1 58 58 PRO C C 58 176.345 176.345 174.744 1.601 18679 4599 1 13 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.532 0.585 18679 4600 1 13 . 1 1 58 58 PRO CB C 58 32.517 32.517 31.391 1.126 18679 4601 1 13 . 1 1 59 59 GLN N N 59 121.136 121.136 126.649 -5.513 18679 4602 1 13 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.339 -0.179 18679 4603 1 13 . 1 1 59 59 GLN C C 59 173.910 173.910 174.485 -0.575 18679 4604 1 13 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.654 0.631 18679 4605 1 13 . 1 1 59 59 GLN CB C 59 32.688 32.688 32.167 0.521 18679 4606 1 13 . 1 1 59 59 GLN H H 59 9.086 9.086 9.180 -0.094 18679 4607 1 13 . 1 1 60 60 ALA N N 60 123.241 123.241 130.055 -6.814 18679 4608 1 13 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.417 0.461 18679 4609 1 13 . 1 1 60 60 ALA C C 60 176.210 176.210 175.517 0.693 18679 4610 1 13 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.619 -0.403 18679 4611 1 13 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.310 0.961 18679 4612 1 13 . 1 1 60 60 ALA H H 60 8.796 8.796 8.877 -0.081 18679 4613 1 13 . 1 1 61 61 ALA N N 61 123.741 123.741 126.736 -2.995 18679 4614 1 13 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.608 0.062 18679 4615 1 13 . 1 1 61 61 ALA C C 61 175.840 175.840 175.772 0.068 18679 4616 1 13 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.419 0.449 18679 4617 1 13 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.450 0.613 18679 4618 1 13 . 1 1 61 61 ALA H H 61 9.165 9.165 8.656 0.509 18679 4619 1 13 . 1 1 62 62 ASN N N 62 118.727 118.727 117.992 0.735 18679 4620 1 13 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.387 -0.137 18679 4621 1 13 . 1 1 62 62 ASN C C 62 178.093 178.093 173.804 4.289 18679 4622 1 13 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.242 -0.275 18679 4623 1 13 . 1 1 62 62 ASN CB C 62 37.229 37.229 37.441 -0.212 18679 4624 1 13 . 1 1 62 62 ASN H H 62 9.288 9.288 8.824 0.464 18679 4625 1 13 . 1 1 63 63 VAL N N 63 116.869 116.869 122.022 -5.153 18679 4626 1 13 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.123 0.260 18679 4627 1 13 . 1 1 63 63 VAL C C 63 175.378 175.378 174.795 0.583 18679 4628 1 13 . 1 1 63 63 VAL CA C 63 63.116 63.116 62.371 0.745 18679 4629 1 13 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.496 0.013 18679 4630 1 13 . 1 1 63 63 VAL H H 63 8.129 8.129 8.011 0.118 18679 4631 1 13 . 1 1 64 64 GLN N N 64 127.534 127.534 127.137 0.397 18679 4632 1 13 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.647 0.130 18679 4633 1 13 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.946 0.187 18679 4634 1 13 . 1 1 64 64 GLN CB C 64 32.174 32.174 32.040 0.134 18679 4635 1 13 . 1 1 64 64 GLN H H 64 9.104 9.104 8.848 0.256 18679 4636 1 13 . 1 1 65 65 LYS N N 65 122.593 122.593 121.497 1.096 18679 4637 1 13 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.303 -0.008 18679 4638 1 13 . 1 1 65 65 LYS C C 65 175.520 175.520 176.079 -0.559 18679 4639 1 13 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.723 1.037 18679 4640 1 13 . 1 1 65 65 LYS CB C 65 32.714 32.714 32.863 -0.149 18679 4641 1 13 . 1 1 65 65 LYS H H 65 8.637 8.637 8.526 0.111 18679 4642 1 14 . 1 1 2 2 GLU HA H 2 4.926 4.926 3.750 1.176 18679 4643 1 14 . 1 1 2 2 GLU C C 2 173.979 173.979 174.808 -0.829 18679 4644 1 14 . 1 1 2 2 GLU CB C 2 26.849 26.849 28.348 -1.499 18679 4645 1 14 . 1 1 3 3 GLN N N 3 116.901 116.901 118.840 -1.939 18679 4646 1 14 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.668 0.482 18679 4647 1 14 . 1 1 3 3 GLN C C 3 175.962 175.962 175.932 0.030 18679 4648 1 14 . 1 1 3 3 GLN CA C 3 54.124 54.124 55.306 -1.182 18679 4649 1 14 . 1 1 3 3 GLN CB C 3 31.938 31.938 30.000 1.938 18679 4650 1 14 . 1 1 3 3 GLN H H 3 8.202 8.202 8.054 0.148 18679 4651 1 14 . 1 1 4 4 GLY N N 4 108.174 108.174 114.334 -6.160 18679 4652 1 14 . 1 1 4 4 GLY C C 4 172.109 172.109 172.903 -0.794 18679 4653 1 14 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.527 1.087 18679 4654 1 14 . 1 1 4 4 GLY H H 4 8.629 8.629 9.257 -0.628 18679 4655 1 14 . 1 1 5 5 THR N N 5 114.528 114.528 116.610 -2.082 18679 4656 1 14 . 1 1 5 5 THR HA H 5 5.210 5.210 5.056 0.154 18679 4657 1 14 . 1 1 5 5 THR C C 5 173.994 173.994 175.107 -1.113 18679 4658 1 14 . 1 1 5 5 THR CA C 5 60.077 60.077 60.183 -0.106 18679 4659 1 14 . 1 1 5 5 THR CB C 5 71.635 71.635 70.030 1.605 18679 4660 1 14 . 1 1 5 5 THR H H 5 8.417 8.417 8.057 0.360 18679 4661 1 14 . 1 1 6 6 VAL N N 6 125.816 125.816 126.538 -0.722 18679 4662 1 14 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.681 -0.160 18679 4663 1 14 . 1 1 6 6 VAL C C 6 175.620 175.620 176.391 -0.771 18679 4664 1 14 . 1 1 6 6 VAL CA C 6 65.068 65.068 64.125 0.943 18679 4665 1 14 . 1 1 6 6 VAL CB C 6 31.632 31.632 31.192 0.440 18679 4666 1 14 . 1 1 6 6 VAL H H 6 8.908 8.908 8.232 0.676 18679 4667 1 14 . 1 1 7 7 LYS N N 7 135.919 135.919 129.232 6.687 18679 4668 1 14 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.210 0.004 18679 4669 1 14 . 1 1 7 7 LYS C C 7 175.913 175.913 176.658 -0.745 18679 4670 1 14 . 1 1 7 7 LYS CA C 7 58.754 58.754 59.022 -0.268 18679 4671 1 14 . 1 1 7 7 LYS CB C 7 35.092 35.092 32.931 2.162 18679 4672 1 14 . 1 1 7 7 LYS H H 7 9.260 9.260 8.749 0.510 18679 4673 1 14 . 1 1 8 8 TRP N N 8 110.597 110.597 116.981 -6.384 18679 4674 1 14 . 1 1 8 8 TRP HA H 8 4.567 4.567 5.020 -0.453 18679 4675 1 14 . 1 1 8 8 TRP C C 8 173.327 173.327 173.940 -0.613 18679 4676 1 14 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.611 0.260 18679 4677 1 14 . 1 1 8 8 TRP CB C 8 30.675 30.675 31.016 -0.341 18679 4678 1 14 . 1 1 8 8 TRP H H 8 7.372 7.372 7.127 0.245 18679 4679 1 14 . 1 1 9 9 PHE N N 9 120.373 120.373 117.885 2.488 18679 4680 1 14 . 1 1 9 9 PHE HA H 9 4.180 4.180 5.024 -0.844 18679 4681 1 14 . 1 1 9 9 PHE C C 9 172.561 172.561 174.736 -2.175 18679 4682 1 14 . 1 1 9 9 PHE CA C 9 59.110 59.110 55.680 3.430 18679 4683 1 14 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.692 1.595 18679 4684 1 14 . 1 1 9 9 PHE H H 9 9.265 9.265 8.221 1.044 18679 4685 1 14 . 1 1 10 10 ASN N N 10 127.710 127.710 125.274 2.436 18679 4686 1 14 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.706 0.227 18679 4687 1 14 . 1 1 10 10 ASN C C 10 174.373 174.373 174.931 -0.558 18679 4688 1 14 . 1 1 10 10 ASN CA C 10 51.898 51.898 51.864 0.034 18679 4689 1 14 . 1 1 10 10 ASN CB C 10 38.909 38.909 36.304 2.605 18679 4690 1 14 . 1 1 10 10 ASN H H 10 8.223 8.223 8.700 -0.477 18679 4691 1 14 . 1 1 11 11 ALA N N 11 129.186 129.186 124.550 4.636 18679 4692 1 14 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.423 0.880 18679 4693 1 14 . 1 1 11 11 ALA C C 11 176.087 176.087 178.275 -2.188 18679 4694 1 14 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.556 -0.748 18679 4695 1 14 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.588 0.113 18679 4696 1 14 . 1 1 11 11 ALA H H 11 9.119 9.119 7.684 1.435 18679 4697 1 14 . 1 1 12 12 GLU N N 12 116.366 116.366 117.357 -0.991 18679 4698 1 14 . 1 1 12 12 GLU HA H 12 4.023 4.023 3.977 0.046 18679 4699 1 14 . 1 1 12 12 GLU C C 12 175.119 175.119 177.822 -2.703 18679 4700 1 14 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.600 -0.152 18679 4701 1 14 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.343 -0.187 18679 4702 1 14 . 1 1 12 12 GLU H H 12 8.082 8.082 8.361 -0.279 18679 4703 1 14 . 1 1 13 13 LYS N N 13 113.821 113.821 115.967 -2.146 18679 4704 1 14 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.435 -0.123 18679 4705 1 14 . 1 1 13 13 LYS C C 13 177.130 177.130 177.093 0.037 18679 4706 1 14 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.693 1.119 18679 4707 1 14 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.652 0.962 18679 4708 1 14 . 1 1 13 13 LYS H H 13 7.273 7.273 7.355 -0.082 18679 4709 1 14 . 1 1 14 14 GLY N N 14 105.929 105.929 108.574 -2.645 18679 4710 1 14 . 1 1 14 14 GLY C C 14 172.485 172.485 173.266 -0.781 18679 4711 1 14 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.191 1.563 18679 4712 1 14 . 1 1 14 14 GLY H H 14 8.370 8.370 8.133 0.237 18679 4713 1 14 . 1 1 15 15 PHE N N 15 112.060 112.060 115.697 -3.637 18679 4714 1 14 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.686 -0.872 18679 4715 1 14 . 1 1 15 15 PHE C C 15 171.414 171.414 173.169 -1.755 18679 4716 1 14 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.303 -1.583 18679 4717 1 14 . 1 1 15 15 PHE CB C 15 42.723 42.723 40.958 1.765 18679 4718 1 14 . 1 1 15 15 PHE H H 15 6.572 6.572 7.648 -1.076 18679 4719 1 14 . 1 1 16 16 GLY N N 16 105.419 105.419 106.637 -1.218 18679 4720 1 14 . 1 1 16 16 GLY C C 16 173.812 173.812 171.396 2.416 18679 4721 1 14 . 1 1 16 16 GLY CA C 16 44.912 44.912 43.637 1.275 18679 4722 1 14 . 1 1 16 16 GLY H H 16 7.851 7.851 8.605 -0.754 18679 4723 1 14 . 1 1 17 17 PHE N N 17 115.154 115.154 117.691 -2.537 18679 4724 1 14 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.513 -0.505 18679 4725 1 14 . 1 1 17 17 PHE C C 17 174.568 174.568 174.696 -0.128 18679 4726 1 14 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.235 0.489 18679 4727 1 14 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.704 2.485 18679 4728 1 14 . 1 1 17 17 PHE H H 17 7.800 7.800 8.449 -0.649 18679 4729 1 14 . 1 1 18 18 ILE N N 18 122.756 122.756 122.477 0.279 18679 4730 1 14 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.508 -0.447 18679 4731 1 14 . 1 1 18 18 ILE C C 18 174.459 174.459 174.968 -0.509 18679 4732 1 14 . 1 1 18 18 ILE CA C 18 60.156 60.156 59.902 0.254 18679 4733 1 14 . 1 1 18 18 ILE CB C 18 41.379 41.379 41.171 0.208 18679 4734 1 14 . 1 1 18 18 ILE H H 18 9.337 9.337 8.693 0.644 18679 4735 1 14 . 1 1 19 19 GLU N N 19 126.777 126.777 124.590 2.187 18679 4736 1 14 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.890 0.025 18679 4737 1 14 . 1 1 19 19 GLU C C 19 175.169 175.169 175.240 -0.071 18679 4738 1 14 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.081 -0.102 18679 4739 1 14 . 1 1 19 19 GLU CB C 19 32.204 32.204 30.060 2.144 18679 4740 1 14 . 1 1 19 19 GLU H H 19 9.294 9.294 8.842 0.452 18679 4741 1 14 . 1 1 20 20 ARG N N 20 123.573 123.573 126.267 -2.694 18679 4742 1 14 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.702 -0.682 18679 4743 1 14 . 1 1 20 20 ARG C C 20 176.345 176.345 177.853 -1.508 18679 4744 1 14 . 1 1 20 20 ARG CA C 20 55.406 55.406 55.029 0.377 18679 4745 1 14 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.826 0.804 18679 4746 1 14 . 1 1 20 20 ARG H H 20 9.290 9.290 8.914 0.376 18679 4747 1 14 . 1 1 21 21 GLU N N 21 121.542 121.542 124.062 -2.520 18679 4748 1 14 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.118 -0.018 18679 4749 1 14 . 1 1 21 21 GLU C C 21 177.265 177.265 176.784 0.481 18679 4750 1 14 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.174 -0.379 18679 4751 1 14 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.520 0.388 18679 4752 1 14 . 1 1 21 21 GLU H H 21 9.066 9.066 9.102 -0.036 18679 4753 1 14 . 1 1 22 22 ASN N N 22 115.336 115.336 115.880 -0.544 18679 4754 1 14 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.830 -0.082 18679 4755 1 14 . 1 1 22 22 ASN C C 22 174.806 174.806 173.927 0.879 18679 4756 1 14 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.884 0.245 18679 4757 1 14 . 1 1 22 22 ASN CB C 22 39.020 39.020 39.270 -0.250 18679 4758 1 14 . 1 1 22 22 ASN H H 22 8.257 8.257 8.308 -0.051 18679 4759 1 14 . 1 1 23 23 GLY N N 23 107.564 107.564 107.577 -0.013 18679 4760 1 14 . 1 1 23 23 GLY C C 23 172.948 172.948 172.453 0.495 18679 4761 1 14 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.683 -0.987 18679 4762 1 14 . 1 1 23 23 GLY H H 23 7.866 7.866 7.516 0.350 18679 4763 1 14 . 1 1 24 24 ASP N N 24 120.038 120.038 121.360 -1.322 18679 4764 1 14 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.474 0.154 18679 4765 1 14 . 1 1 24 24 ASP C C 24 175.559 175.559 175.404 0.155 18679 4766 1 14 . 1 1 24 24 ASP CA C 24 54.453 54.453 54.145 0.308 18679 4767 1 14 . 1 1 24 24 ASP CB C 24 41.544 41.544 41.116 0.428 18679 4768 1 14 . 1 1 24 24 ASP H H 24 8.370 8.370 8.596 -0.226 18679 4769 1 14 . 1 1 25 25 ASP N N 25 120.666 120.666 116.918 3.748 18679 4770 1 14 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.625 0.296 18679 4771 1 14 . 1 1 25 25 ASP C C 25 176.258 176.258 174.839 1.419 18679 4772 1 14 . 1 1 25 25 ASP CA C 25 54.973 54.973 52.784 2.189 18679 4773 1 14 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.708 1.780 18679 4774 1 14 . 1 1 25 25 ASP H H 25 8.698 8.698 7.645 1.053 18679 4775 1 14 . 1 1 26 26 VAL N N 26 120.541 120.541 122.157 -1.616 18679 4776 1 14 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.453 -0.107 18679 4777 1 14 . 1 1 26 26 VAL C C 26 174.724 174.724 174.888 -0.164 18679 4778 1 14 . 1 1 26 26 VAL CA C 26 60.847 60.847 61.362 -0.515 18679 4779 1 14 . 1 1 26 26 VAL CB C 26 34.500 34.500 33.459 1.041 18679 4780 1 14 . 1 1 26 26 VAL H H 26 9.365 9.365 8.851 0.514 18679 4781 1 14 . 1 1 27 27 PHE N N 27 130.752 130.752 130.471 0.281 18679 4782 1 14 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.641 -1.111 18679 4783 1 14 . 1 1 27 27 PHE C C 27 172.517 172.517 173.659 -1.142 18679 4784 1 14 . 1 1 27 27 PHE CA C 27 58.978 58.978 57.344 1.634 18679 4785 1 14 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.206 -0.272 18679 4786 1 14 . 1 1 27 27 PHE H H 27 8.335 8.335 8.379 -0.044 18679 4787 1 14 . 1 1 28 28 VAL N N 28 124.530 124.530 126.413 -1.883 18679 4788 1 14 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.272 0.121 18679 4789 1 14 . 1 1 28 28 VAL C C 28 170.556 170.556 173.203 -2.647 18679 4790 1 14 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.265 -1.559 18679 4791 1 14 . 1 1 28 28 VAL CB C 28 34.597 34.597 35.051 -0.454 18679 4792 1 14 . 1 1 28 28 VAL H H 28 7.411 7.411 8.015 -0.604 18679 4793 1 14 . 1 1 29 29 HIS N N 29 127.448 127.448 126.795 0.653 18679 4794 1 14 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.083 -0.524 18679 4795 1 14 . 1 1 29 29 HIS C C 29 177.582 177.582 176.965 0.617 18679 4796 1 14 . 1 1 29 29 HIS CA C 29 55.739 55.739 55.530 0.209 18679 4797 1 14 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.071 1.471 18679 4798 1 14 . 1 1 29 29 HIS H H 29 8.561 8.561 8.711 -0.150 18679 4799 1 14 . 1 1 30 30 PHE N N 30 122.691 122.691 124.522 -1.831 18679 4800 1 14 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.292 -0.430 18679 4801 1 14 . 1 1 30 30 PHE CA C 30 59.990 59.990 61.672 -1.682 18679 4802 1 14 . 1 1 30 30 PHE CB C 30 36.480 36.480 39.131 -2.651 18679 4803 1 14 . 1 1 30 30 PHE H H 30 7.970 7.970 8.642 -0.672 18679 4804 1 14 . 1 1 31 31 SER N N 31 118.356 118.356 112.259 6.097 18679 4805 1 14 . 1 1 31 31 SER HA H 31 3.858 3.858 4.200 -0.342 18679 4806 1 14 . 1 1 31 31 SER C C 31 175.382 175.382 175.390 -0.008 18679 4807 1 14 . 1 1 31 31 SER CA C 31 59.761 59.761 59.567 0.194 18679 4808 1 14 . 1 1 31 31 SER CB C 31 62.630 62.630 63.231 -0.601 18679 4809 1 14 . 1 1 31 31 SER H H 31 7.623 7.623 8.775 -1.152 18679 4810 1 14 . 1 1 32 32 ALA N N 32 124.536 124.536 122.811 1.725 18679 4811 1 14 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.468 -0.063 18679 4812 1 14 . 1 1 32 32 ALA C C 32 177.706 177.706 177.515 0.191 18679 4813 1 14 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.401 -0.017 18679 4814 1 14 . 1 1 32 32 ALA CB C 32 21.173 21.173 19.988 1.185 18679 4815 1 14 . 1 1 32 32 ALA H H 32 7.902 7.902 7.804 0.098 18679 4816 1 14 . 1 1 33 33 ILE N N 33 121.051 121.051 118.528 2.523 18679 4817 1 14 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.707 0.134 18679 4818 1 14 . 1 1 33 33 ILE C C 33 175.517 175.517 176.135 -0.618 18679 4819 1 14 . 1 1 33 33 ILE CA C 33 62.252 62.252 62.150 0.102 18679 4820 1 14 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.335 -0.351 18679 4821 1 14 . 1 1 33 33 ILE H H 33 7.595 7.595 7.390 0.205 18679 4822 1 14 . 1 1 34 34 GLN N N 34 126.803 126.803 119.977 6.826 18679 4823 1 14 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.181 0.074 18679 4824 1 14 . 1 1 34 34 GLN C C 34 176.167 176.167 176.708 -0.541 18679 4825 1 14 . 1 1 34 34 GLN CA C 34 55.872 55.872 56.306 -0.434 18679 4826 1 14 . 1 1 34 34 GLN CB C 34 29.510 29.510 28.354 1.156 18679 4827 1 14 . 1 1 34 34 GLN H H 34 8.714 8.714 8.061 0.653 18679 4828 1 14 . 1 1 35 35 GLY N N 35 110.928 110.928 109.548 1.380 18679 4829 1 14 . 1 1 35 35 GLY C C 35 172.763 172.763 173.403 -0.640 18679 4830 1 14 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.924 -0.086 18679 4831 1 14 . 1 1 35 35 GLY H H 35 8.411 8.411 7.835 0.576 18679 4832 1 14 . 1 1 36 36 ASP N N 36 119.994 119.994 124.955 -4.961 18679 4833 1 14 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.341 0.458 18679 4834 1 14 . 1 1 36 36 ASP C C 36 176.584 176.584 177.175 -0.591 18679 4835 1 14 . 1 1 36 36 ASP CA C 36 53.957 53.957 55.169 -1.212 18679 4836 1 14 . 1 1 36 36 ASP CB C 36 42.297 42.297 41.507 0.790 18679 4837 1 14 . 1 1 36 36 ASP H H 36 8.319 8.319 8.123 0.196 18679 4838 1 14 . 1 1 37 37 GLY N N 37 108.688 108.688 114.497 -5.809 18679 4839 1 14 . 1 1 37 37 GLY C C 37 176.528 176.528 173.692 2.836 18679 4840 1 14 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.523 -0.847 18679 4841 1 14 . 1 1 37 37 GLY H H 37 8.390 8.390 8.381 0.009 18679 4842 1 14 . 1 1 38 38 PHE N N 38 122.793 122.793 123.444 -0.651 18679 4843 1 14 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.777 -0.010 18679 4844 1 14 . 1 1 38 38 PHE C C 38 175.402 175.402 174.207 1.195 18679 4845 1 14 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.836 2.156 18679 4846 1 14 . 1 1 38 38 PHE CB C 38 39.043 39.043 40.839 -1.796 18679 4847 1 14 . 1 1 38 38 PHE H H 38 8.423 8.423 8.173 0.250 18679 4848 1 14 . 1 1 39 39 LYS N N 39 123.349 123.349 124.780 -1.431 18679 4849 1 14 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.765 -0.432 18679 4850 1 14 . 1 1 39 39 LYS C C 39 169.990 169.990 175.818 -5.828 18679 4851 1 14 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.196 0.282 18679 4852 1 14 . 1 1 39 39 LYS CB C 39 32.335 32.335 35.276 -2.941 18679 4853 1 14 . 1 1 39 39 LYS H H 39 8.592 8.592 8.451 0.141 18679 4854 1 14 . 1 1 40 40 SER N N 40 113.941 113.941 117.753 -3.812 18679 4855 1 14 . 1 1 40 40 SER HA H 40 3.673 3.673 4.541 -0.868 18679 4856 1 14 . 1 1 40 40 SER CA C 40 57.015 57.015 57.734 -0.719 18679 4857 1 14 . 1 1 40 40 SER CB C 40 64.589 64.589 64.060 0.529 18679 4858 1 14 . 1 1 40 40 SER H H 40 7.444 7.444 8.496 -1.052 18679 4859 1 14 . 1 1 41 41 LEU N N 41 117.107 117.107 123.402 -6.295 18679 4860 1 14 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.358 0.036 18679 4861 1 14 . 1 1 41 41 LEU C C 41 173.917 173.917 176.107 -2.190 18679 4862 1 14 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.762 -1.348 18679 4863 1 14 . 1 1 41 41 LEU CB C 41 46.815 46.815 43.190 3.625 18679 4864 1 14 . 1 1 41 41 LEU H H 41 5.598 5.598 7.995 -2.397 18679 4865 1 14 . 1 1 42 42 ASP N N 42 118.896 118.896 121.441 -2.545 18679 4866 1 14 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.568 0.326 18679 4867 1 14 . 1 1 42 42 ASP C C 42 175.559 175.559 175.683 -0.124 18679 4868 1 14 . 1 1 42 42 ASP CA C 42 52.777 52.777 54.279 -1.502 18679 4869 1 14 . 1 1 42 42 ASP CB C 42 42.970 42.970 41.983 0.987 18679 4870 1 14 . 1 1 42 42 ASP H H 42 8.156 8.156 8.240 -0.084 18679 4871 1 14 . 1 1 43 43 GLU N N 43 121.023 121.023 120.064 0.959 18679 4872 1 14 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.192 -0.674 18679 4873 1 14 . 1 1 43 43 GLU C C 43 177.211 177.211 177.886 -0.675 18679 4874 1 14 . 1 1 43 43 GLU CA C 43 58.444 58.444 57.036 1.408 18679 4875 1 14 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.331 0.200 18679 4876 1 14 . 1 1 43 43 GLU H H 43 8.689 8.689 8.787 -0.098 18679 4877 1 14 . 1 1 44 44 GLY N N 44 113.916 113.916 112.566 1.350 18679 4878 1 14 . 1 1 44 44 GLY C C 44 173.870 173.870 174.200 -0.330 18679 4879 1 14 . 1 1 44 44 GLY CA C 44 45.194 45.194 45.048 0.146 18679 4880 1 14 . 1 1 44 44 GLY H H 44 8.971 8.971 9.268 -0.297 18679 4881 1 14 . 1 1 45 45 GLN N N 45 120.533 120.533 121.750 -1.217 18679 4882 1 14 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.252 -0.075 18679 4883 1 14 . 1 1 45 45 GLN C C 45 175.454 175.454 174.856 0.598 18679 4884 1 14 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.636 1.469 18679 4885 1 14 . 1 1 45 45 GLN CB C 45 30.398 30.398 29.082 1.316 18679 4886 1 14 . 1 1 45 45 GLN H H 45 7.634 7.634 7.605 0.029 18679 4887 1 14 . 1 1 46 46 ALA N N 46 130.118 130.118 130.931 -0.813 18679 4888 1 14 . 1 1 46 46 ALA HA H 46 4.933 4.933 4.701 0.232 18679 4889 1 14 . 1 1 46 46 ALA C C 46 178.148 178.148 176.409 1.739 18679 4890 1 14 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.471 0.735 18679 4891 1 14 . 1 1 46 46 ALA CB C 46 18.983 18.983 18.972 0.011 18679 4892 1 14 . 1 1 46 46 ALA H H 46 8.894 8.894 8.756 0.138 18679 4893 1 14 . 1 1 47 47 VAL N N 47 114.581 114.581 119.082 -4.501 18679 4894 1 14 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.742 0.666 18679 4895 1 14 . 1 1 47 47 VAL C C 47 175.654 175.654 174.841 0.813 18679 4896 1 14 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.264 -0.392 18679 4897 1 14 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.250 1.879 18679 4898 1 14 . 1 1 47 47 VAL H H 47 8.591 8.591 9.146 -0.555 18679 4899 1 14 . 1 1 48 48 THR N N 48 113.346 113.346 115.530 -2.184 18679 4900 1 14 . 1 1 48 48 THR HA H 48 5.398 5.398 5.227 0.171 18679 4901 1 14 . 1 1 48 48 THR C C 48 177.527 177.527 174.168 3.359 18679 4902 1 14 . 1 1 48 48 THR CA C 48 60.253 60.253 59.675 0.578 18679 4903 1 14 . 1 1 48 48 THR CB C 48 71.323 71.323 69.617 1.706 18679 4904 1 14 . 1 1 48 48 THR H H 48 8.943 8.943 8.973 -0.030 18679 4905 1 14 . 1 1 49 49 PHE N N 49 116.531 116.531 121.676 -5.145 18679 4906 1 14 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.643 -0.640 18679 4907 1 14 . 1 1 49 49 PHE C C 49 171.900 171.900 174.250 -2.350 18679 4908 1 14 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.908 1.681 18679 4909 1 14 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.179 -2.438 18679 4910 1 14 . 1 1 49 49 PHE H H 49 8.214 8.214 7.672 0.542 18679 4911 1 14 . 1 1 50 50 ASP N N 50 118.134 118.134 122.200 -4.066 18679 4912 1 14 . 1 1 50 50 ASP HA H 50 5.167 5.167 4.789 0.378 18679 4913 1 14 . 1 1 50 50 ASP C C 50 175.559 175.559 175.794 -0.235 18679 4914 1 14 . 1 1 50 50 ASP CA C 50 53.971 53.971 53.625 0.346 18679 4915 1 14 . 1 1 50 50 ASP CB C 50 43.986 43.986 42.425 1.561 18679 4916 1 14 . 1 1 50 50 ASP H H 50 8.862 8.862 8.508 0.354 18679 4917 1 14 . 1 1 51 51 VAL N N 51 120.815 120.815 125.707 -4.892 18679 4918 1 14 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.190 0.580 18679 4919 1 14 . 1 1 51 51 VAL C C 51 175.378 175.378 175.434 -0.056 18679 4920 1 14 . 1 1 51 51 VAL CA C 51 62.046 62.046 62.657 -0.611 18679 4921 1 14 . 1 1 51 51 VAL CB C 51 33.854 33.854 31.535 2.320 18679 4922 1 14 . 1 1 51 51 VAL H H 51 8.700 8.700 8.680 0.020 18679 4923 1 14 . 1 1 52 52 GLU N N 52 127.575 127.575 129.437 -1.862 18679 4924 1 14 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.643 0.137 18679 4925 1 14 . 1 1 52 52 GLU C C 52 175.436 175.436 175.269 0.167 18679 4926 1 14 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.546 -0.413 18679 4927 1 14 . 1 1 52 52 GLU CB C 52 32.295 32.295 31.321 0.974 18679 4928 1 14 . 1 1 52 52 GLU H H 52 9.062 9.062 8.830 0.232 18679 4929 1 14 . 1 1 53 53 GLU N N 53 124.119 124.119 126.408 -2.289 18679 4930 1 14 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.736 -0.476 18679 4931 1 14 . 1 1 53 53 GLU C C 53 176.436 176.436 175.966 0.470 18679 4932 1 14 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.422 0.995 18679 4933 1 14 . 1 1 53 53 GLU CB C 53 29.392 29.392 29.739 -0.347 18679 4934 1 14 . 1 1 53 53 GLU H H 53 8.808 8.808 8.833 -0.025 18679 4935 1 14 . 1 1 54 54 GLY N N 54 113.794 113.794 112.679 1.115 18679 4936 1 14 . 1 1 54 54 GLY C C 54 175.559 175.559 173.817 1.742 18679 4937 1 14 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.042 0.485 18679 4938 1 14 . 1 1 54 54 GLY H H 54 7.822 7.822 8.315 -0.493 18679 4939 1 14 . 1 1 55 55 GLN N N 55 121.059 121.059 120.588 0.471 18679 4940 1 14 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.358 0.399 18679 4941 1 14 . 1 1 55 55 GLN C C 55 177.419 177.419 175.567 1.852 18679 4942 1 14 . 1 1 55 55 GLN CA C 55 58.624 58.624 56.177 2.447 18679 4943 1 14 . 1 1 55 55 GLN CB C 55 29.233 29.233 26.983 2.250 18679 4944 1 14 . 1 1 55 55 GLN H H 55 8.685 8.685 8.537 0.148 18679 4945 1 14 . 1 1 56 56 ARG N N 56 116.444 116.444 119.699 -3.255 18679 4946 1 14 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.397 0.029 18679 4947 1 14 . 1 1 56 56 ARG C C 56 175.110 175.110 175.857 -0.747 18679 4948 1 14 . 1 1 56 56 ARG CA C 56 54.836 54.836 56.272 -1.436 18679 4949 1 14 . 1 1 56 56 ARG CB C 56 30.092 30.092 31.005 -0.913 18679 4950 1 14 . 1 1 56 56 ARG H H 56 8.491 8.491 8.538 -0.047 18679 4951 1 14 . 1 1 57 57 GLY N N 57 107.667 107.667 109.580 -1.913 18679 4952 1 14 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.940 -0.739 18679 4953 1 14 . 1 1 57 57 GLY H H 57 7.316 7.316 7.746 -0.430 18679 4954 1 14 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.810 -0.000 18679 4955 1 14 . 1 1 58 58 PRO C C 58 176.345 176.345 175.465 0.880 18679 4956 1 14 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.553 0.565 18679 4957 1 14 . 1 1 58 58 PRO CB C 58 32.517 32.517 31.286 1.231 18679 4958 1 14 . 1 1 59 59 GLN N N 59 121.136 121.136 123.178 -2.042 18679 4959 1 14 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.367 -0.207 18679 4960 1 14 . 1 1 59 59 GLN C C 59 173.910 173.910 174.759 -0.849 18679 4961 1 14 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.216 1.068 18679 4962 1 14 . 1 1 59 59 GLN CB C 59 32.688 32.688 31.348 1.340 18679 4963 1 14 . 1 1 59 59 GLN H H 59 9.086 9.086 8.958 0.128 18679 4964 1 14 . 1 1 60 60 ALA N N 60 123.241 123.241 126.482 -3.241 18679 4965 1 14 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.915 -0.037 18679 4966 1 14 . 1 1 60 60 ALA C C 60 176.210 176.210 175.489 0.721 18679 4967 1 14 . 1 1 60 60 ALA CA C 60 51.216 51.216 50.867 0.349 18679 4968 1 14 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.859 0.412 18679 4969 1 14 . 1 1 60 60 ALA H H 60 8.796 8.796 8.718 0.078 18679 4970 1 14 . 1 1 61 61 ALA N N 61 123.741 123.741 125.121 -1.380 18679 4971 1 14 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.652 0.018 18679 4972 1 14 . 1 1 61 61 ALA C C 61 175.840 175.840 175.889 -0.049 18679 4973 1 14 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.105 0.763 18679 4974 1 14 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.684 0.379 18679 4975 1 14 . 1 1 61 61 ALA H H 61 9.165 9.165 8.731 0.434 18679 4976 1 14 . 1 1 62 62 ASN N N 62 118.727 118.727 116.711 2.016 18679 4977 1 14 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.324 -0.074 18679 4978 1 14 . 1 1 62 62 ASN C C 62 178.093 178.093 173.821 4.272 18679 4979 1 14 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.073 -0.106 18679 4980 1 14 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.636 0.593 18679 4981 1 14 . 1 1 62 62 ASN H H 62 9.288 9.288 8.437 0.851 18679 4982 1 14 . 1 1 63 63 VAL N N 63 116.869 116.869 121.898 -5.029 18679 4983 1 14 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.439 -0.056 18679 4984 1 14 . 1 1 63 63 VAL C C 63 175.378 175.378 175.093 0.285 18679 4985 1 14 . 1 1 63 63 VAL CA C 63 63.116 63.116 62.328 0.789 18679 4986 1 14 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.655 -0.146 18679 4987 1 14 . 1 1 63 63 VAL H H 63 8.129 8.129 7.635 0.494 18679 4988 1 14 . 1 1 64 64 GLN N N 64 127.534 127.534 127.975 -0.441 18679 4989 1 14 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.767 0.010 18679 4990 1 14 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.710 0.423 18679 4991 1 14 . 1 1 64 64 GLN CB C 64 32.174 32.174 31.536 0.638 18679 4992 1 14 . 1 1 64 64 GLN H H 64 9.104 9.104 8.823 0.281 18679 4993 1 14 . 1 1 65 65 LYS N N 65 122.593 122.593 122.729 -0.136 18679 4994 1 14 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.098 0.197 18679 4995 1 14 . 1 1 65 65 LYS C C 65 175.520 175.520 175.743 -0.223 18679 4996 1 14 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.533 1.227 18679 4997 1 14 . 1 1 65 65 LYS CB C 65 32.714 32.714 32.672 0.042 18679 4998 1 14 . 1 1 65 65 LYS H H 65 8.637 8.637 8.653 -0.016 18679 4999 1 15 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.209 0.717 18679 5000 1 15 . 1 1 2 2 GLU C C 2 173.979 173.979 174.575 -0.596 18679 5001 1 15 . 1 1 2 2 GLU CB C 2 26.849 26.849 28.588 -1.739 18679 5002 1 15 . 1 1 3 3 GLN N N 3 116.901 116.901 123.664 -6.763 18679 5003 1 15 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.701 0.449 18679 5004 1 15 . 1 1 3 3 GLN C C 3 175.962 175.962 175.484 0.478 18679 5005 1 15 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.791 -0.667 18679 5006 1 15 . 1 1 3 3 GLN CB C 3 31.938 31.938 31.122 0.816 18679 5007 1 15 . 1 1 3 3 GLN H H 3 8.202 8.202 8.030 0.172 18679 5008 1 15 . 1 1 4 4 GLY N N 4 108.174 108.174 111.337 -3.163 18679 5009 1 15 . 1 1 4 4 GLY C C 4 172.109 172.109 172.565 -0.456 18679 5010 1 15 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.785 0.829 18679 5011 1 15 . 1 1 4 4 GLY H H 4 8.629 8.629 9.131 -0.502 18679 5012 1 15 . 1 1 5 5 THR N N 5 114.528 114.528 115.525 -0.997 18679 5013 1 15 . 1 1 5 5 THR HA H 5 5.210 5.210 5.057 0.153 18679 5014 1 15 . 1 1 5 5 THR C C 5 173.994 173.994 173.730 0.264 18679 5015 1 15 . 1 1 5 5 THR CA C 5 60.077 60.077 61.831 -1.754 18679 5016 1 15 . 1 1 5 5 THR CB C 5 71.635 71.635 72.320 -0.685 18679 5017 1 15 . 1 1 5 5 THR H H 5 8.417 8.417 8.208 0.209 18679 5018 1 15 . 1 1 6 6 VAL N N 6 125.816 125.816 126.708 -0.892 18679 5019 1 15 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.782 -0.261 18679 5020 1 15 . 1 1 6 6 VAL C C 6 175.620 175.620 175.913 -0.293 18679 5021 1 15 . 1 1 6 6 VAL CA C 6 65.068 65.068 64.368 0.700 18679 5022 1 15 . 1 1 6 6 VAL CB C 6 31.632 31.632 31.531 0.101 18679 5023 1 15 . 1 1 6 6 VAL H H 6 8.908 8.908 8.967 -0.059 18679 5024 1 15 . 1 1 7 7 LYS N N 7 135.919 135.919 126.801 9.118 18679 5025 1 15 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.178 0.036 18679 5026 1 15 . 1 1 7 7 LYS C C 7 175.913 175.913 176.153 -0.240 18679 5027 1 15 . 1 1 7 7 LYS CA C 7 58.754 58.754 57.361 1.393 18679 5028 1 15 . 1 1 7 7 LYS CB C 7 35.092 35.092 34.358 0.734 18679 5029 1 15 . 1 1 7 7 LYS H H 7 9.260 9.260 8.657 0.603 18679 5030 1 15 . 1 1 8 8 TRP N N 8 110.597 110.597 120.599 -10.002 18679 5031 1 15 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.918 -0.351 18679 5032 1 15 . 1 1 8 8 TRP C C 8 173.327 173.327 174.939 -1.612 18679 5033 1 15 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.852 0.019 18679 5034 1 15 . 1 1 8 8 TRP CB C 8 30.675 30.675 31.870 -1.195 18679 5035 1 15 . 1 1 8 8 TRP H H 8 7.372 7.372 7.724 -0.352 18679 5036 1 15 . 1 1 9 9 PHE N N 9 120.373 120.373 121.008 -0.635 18679 5037 1 15 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.835 -0.655 18679 5038 1 15 . 1 1 9 9 PHE C C 9 172.561 172.561 174.457 -1.896 18679 5039 1 15 . 1 1 9 9 PHE CA C 9 59.110 59.110 55.067 4.043 18679 5040 1 15 . 1 1 9 9 PHE CB C 9 42.287 42.287 39.234 3.053 18679 5041 1 15 . 1 1 9 9 PHE H H 9 9.265 9.265 8.951 0.314 18679 5042 1 15 . 1 1 10 10 ASN N N 10 127.710 127.710 124.482 3.228 18679 5043 1 15 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.559 0.374 18679 5044 1 15 . 1 1 10 10 ASN C C 10 174.373 174.373 174.880 -0.507 18679 5045 1 15 . 1 1 10 10 ASN CA C 10 51.898 51.898 51.196 0.702 18679 5046 1 15 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.238 1.671 18679 5047 1 15 . 1 1 10 10 ASN H H 10 8.223 8.223 8.340 -0.117 18679 5048 1 15 . 1 1 11 11 ALA N N 11 129.186 129.186 124.063 5.123 18679 5049 1 15 . 1 1 11 11 ALA HA H 11 4.303 4.303 4.128 0.175 18679 5050 1 15 . 1 1 11 11 ALA C C 11 176.087 176.087 178.847 -2.760 18679 5051 1 15 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.260 -0.451 18679 5052 1 15 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.997 -0.296 18679 5053 1 15 . 1 1 11 11 ALA H H 11 9.119 9.119 7.545 1.574 18679 5054 1 15 . 1 1 12 12 GLU N N 12 116.366 116.366 117.332 -0.966 18679 5055 1 15 . 1 1 12 12 GLU HA H 12 4.023 4.023 3.998 0.025 18679 5056 1 15 . 1 1 12 12 GLU C C 12 175.119 175.119 177.669 -2.550 18679 5057 1 15 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.342 0.106 18679 5058 1 15 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.347 -0.191 18679 5059 1 15 . 1 1 12 12 GLU H H 12 8.082 8.082 8.349 -0.267 18679 5060 1 15 . 1 1 13 13 LYS N N 13 113.821 113.821 116.794 -2.973 18679 5061 1 15 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.413 -0.101 18679 5062 1 15 . 1 1 13 13 LYS C C 13 177.130 177.130 177.331 -0.201 18679 5063 1 15 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.800 1.012 18679 5064 1 15 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.505 1.109 18679 5065 1 15 . 1 1 13 13 LYS H H 13 7.273 7.273 7.423 -0.150 18679 5066 1 15 . 1 1 14 14 GLY N N 14 105.929 105.929 108.245 -2.316 18679 5067 1 15 . 1 1 14 14 GLY C C 14 172.485 172.485 173.445 -0.960 18679 5068 1 15 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.263 1.491 18679 5069 1 15 . 1 1 14 14 GLY H H 14 8.370 8.370 8.235 0.135 18679 5070 1 15 . 1 1 15 15 PHE N N 15 112.060 112.060 115.971 -3.911 18679 5071 1 15 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.567 -0.753 18679 5072 1 15 . 1 1 15 15 PHE C C 15 171.414 171.414 172.940 -1.526 18679 5073 1 15 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.309 -1.589 18679 5074 1 15 . 1 1 15 15 PHE CB C 15 42.723 42.723 40.909 1.814 18679 5075 1 15 . 1 1 15 15 PHE H H 15 6.572 6.572 7.484 -0.912 18679 5076 1 15 . 1 1 16 16 GLY N N 16 105.419 105.419 105.673 -0.254 18679 5077 1 15 . 1 1 16 16 GLY C C 16 173.812 173.812 171.545 2.267 18679 5078 1 15 . 1 1 16 16 GLY CA C 16 44.912 44.912 44.454 0.458 18679 5079 1 15 . 1 1 16 16 GLY H H 16 7.851 7.851 7.821 0.030 18679 5080 1 15 . 1 1 17 17 PHE N N 17 115.154 115.154 118.604 -3.450 18679 5081 1 15 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.401 -0.393 18679 5082 1 15 . 1 1 17 17 PHE C C 17 174.568 174.568 174.640 -0.072 18679 5083 1 15 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.592 0.132 18679 5084 1 15 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.736 2.453 18679 5085 1 15 . 1 1 17 17 PHE H H 17 7.800 7.800 9.069 -1.269 18679 5086 1 15 . 1 1 18 18 ILE N N 18 122.756 122.756 123.463 -0.707 18679 5087 1 15 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.640 -0.579 18679 5088 1 15 . 1 1 18 18 ILE C C 18 174.459 174.459 174.891 -0.432 18679 5089 1 15 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.101 0.055 18679 5090 1 15 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.560 0.819 18679 5091 1 15 . 1 1 18 18 ILE H H 18 9.337 9.337 8.983 0.354 18679 5092 1 15 . 1 1 19 19 GLU N N 19 126.777 126.777 126.512 0.265 18679 5093 1 15 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.935 -0.020 18679 5094 1 15 . 1 1 19 19 GLU C C 19 175.169 175.169 175.517 -0.348 18679 5095 1 15 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.365 -0.385 18679 5096 1 15 . 1 1 19 19 GLU CB C 19 32.204 32.204 31.229 0.975 18679 5097 1 15 . 1 1 19 19 GLU H H 19 9.294 9.294 9.138 0.156 18679 5098 1 15 . 1 1 20 20 ARG N N 20 123.573 123.573 125.119 -1.546 18679 5099 1 15 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.714 -0.694 18679 5100 1 15 . 1 1 20 20 ARG C C 20 176.345 176.345 177.843 -1.498 18679 5101 1 15 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.096 1.310 18679 5102 1 15 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.474 1.156 18679 5103 1 15 . 1 1 20 20 ARG H H 20 9.290 9.290 8.398 0.892 18679 5104 1 15 . 1 1 21 21 GLU N N 21 121.542 121.542 122.893 -1.351 18679 5105 1 15 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.098 0.002 18679 5106 1 15 . 1 1 21 21 GLU C C 21 177.265 177.265 177.742 -0.477 18679 5107 1 15 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.057 -0.263 18679 5108 1 15 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.308 0.600 18679 5109 1 15 . 1 1 21 21 GLU H H 21 9.066 9.066 9.074 -0.008 18679 5110 1 15 . 1 1 22 22 ASN N N 22 115.336 115.336 113.926 1.410 18679 5111 1 15 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.827 -0.079 18679 5112 1 15 . 1 1 22 22 ASN C C 22 174.806 174.806 176.036 -1.230 18679 5113 1 15 . 1 1 22 22 ASN CA C 22 53.129 53.129 53.329 -0.200 18679 5114 1 15 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.959 0.061 18679 5115 1 15 . 1 1 22 22 ASN H H 22 8.257 8.257 7.993 0.264 18679 5116 1 15 . 1 1 23 23 GLY N N 23 107.564 107.564 109.313 -1.749 18679 5117 1 15 . 1 1 23 23 GLY C C 23 172.948 172.948 173.448 -0.500 18679 5118 1 15 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.115 -0.419 18679 5119 1 15 . 1 1 23 23 GLY H H 23 7.866 7.866 8.253 -0.387 18679 5120 1 15 . 1 1 24 24 ASP N N 24 120.038 120.038 121.977 -1.939 18679 5121 1 15 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.503 0.125 18679 5122 1 15 . 1 1 24 24 ASP C C 24 175.559 175.559 175.989 -0.430 18679 5123 1 15 . 1 1 24 24 ASP CA C 24 54.453 54.453 54.986 -0.533 18679 5124 1 15 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.285 1.259 18679 5125 1 15 . 1 1 24 24 ASP H H 24 8.370 8.370 7.878 0.492 18679 5126 1 15 . 1 1 25 25 ASP N N 25 120.666 120.666 125.127 -4.461 18679 5127 1 15 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.733 0.188 18679 5128 1 15 . 1 1 25 25 ASP C C 25 176.258 176.258 175.973 0.285 18679 5129 1 15 . 1 1 25 25 ASP CA C 25 54.973 54.973 54.838 0.135 18679 5130 1 15 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.360 2.128 18679 5131 1 15 . 1 1 25 25 ASP H H 25 8.698 8.698 8.167 0.531 18679 5132 1 15 . 1 1 26 26 VAL N N 26 120.541 120.541 124.142 -3.601 18679 5133 1 15 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.023 0.323 18679 5134 1 15 . 1 1 26 26 VAL C C 26 174.724 174.724 175.522 -0.798 18679 5135 1 15 . 1 1 26 26 VAL CA C 26 60.847 60.847 62.859 -2.013 18679 5136 1 15 . 1 1 26 26 VAL CB C 26 34.500 34.500 32.125 2.375 18679 5137 1 15 . 1 1 26 26 VAL H H 26 9.365 9.365 8.967 0.398 18679 5138 1 15 . 1 1 27 27 PHE N N 27 130.752 130.752 129.691 1.061 18679 5139 1 15 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.906 -1.376 18679 5140 1 15 . 1 1 27 27 PHE C C 27 172.517 172.517 174.564 -2.047 18679 5141 1 15 . 1 1 27 27 PHE CA C 27 58.978 58.978 56.981 1.997 18679 5142 1 15 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.025 -0.091 18679 5143 1 15 . 1 1 27 27 PHE H H 27 8.335 8.335 8.309 0.026 18679 5144 1 15 . 1 1 28 28 VAL N N 28 124.530 124.530 126.791 -2.261 18679 5145 1 15 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.198 0.195 18679 5146 1 15 . 1 1 28 28 VAL C C 28 170.556 170.556 173.628 -3.072 18679 5147 1 15 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.586 -1.879 18679 5148 1 15 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.523 0.074 18679 5149 1 15 . 1 1 28 28 VAL H H 28 7.411 7.411 8.143 -0.732 18679 5150 1 15 . 1 1 29 29 HIS N N 29 127.448 127.448 123.920 3.528 18679 5151 1 15 . 1 1 29 29 HIS HA H 29 4.559 4.559 4.885 -0.326 18679 5152 1 15 . 1 1 29 29 HIS C C 29 177.582 177.582 176.257 1.325 18679 5153 1 15 . 1 1 29 29 HIS CA C 29 55.739 55.739 53.669 2.070 18679 5154 1 15 . 1 1 29 29 HIS CB C 29 33.542 33.542 33.044 0.498 18679 5155 1 15 . 1 1 29 29 HIS H H 29 8.561 8.561 8.270 0.291 18679 5156 1 15 . 1 1 30 30 PHE N N 30 122.691 122.691 121.219 1.472 18679 5157 1 15 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.292 -0.430 18679 5158 1 15 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.449 -0.459 18679 5159 1 15 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.903 -2.422 18679 5160 1 15 . 1 1 30 30 PHE H H 30 7.970 7.970 8.705 -0.735 18679 5161 1 15 . 1 1 31 31 SER N N 31 118.356 118.356 113.537 4.819 18679 5162 1 15 . 1 1 31 31 SER HA H 31 3.858 3.858 4.034 -0.176 18679 5163 1 15 . 1 1 31 31 SER C C 31 175.382 175.382 174.975 0.407 18679 5164 1 15 . 1 1 31 31 SER CA C 31 59.761 59.761 59.735 0.026 18679 5165 1 15 . 1 1 31 31 SER CB C 31 62.630 62.630 62.652 -0.022 18679 5166 1 15 . 1 1 31 31 SER H H 31 7.623 7.623 7.697 -0.074 18679 5167 1 15 . 1 1 32 32 ALA N N 32 124.536 124.536 123.006 1.530 18679 5168 1 15 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.331 0.074 18679 5169 1 15 . 1 1 32 32 ALA C C 32 177.706 177.706 177.518 0.188 18679 5170 1 15 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.143 0.241 18679 5171 1 15 . 1 1 32 32 ALA CB C 32 21.173 21.173 19.750 1.423 18679 5172 1 15 . 1 1 32 32 ALA H H 32 7.902 7.902 7.331 0.571 18679 5173 1 15 . 1 1 33 33 ILE N N 33 121.051 121.051 121.327 -0.276 18679 5174 1 15 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.834 0.007 18679 5175 1 15 . 1 1 33 33 ILE C C 33 175.517 175.517 175.556 -0.039 18679 5176 1 15 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.977 0.275 18679 5177 1 15 . 1 1 33 33 ILE CB C 33 37.984 37.984 37.950 0.034 18679 5178 1 15 . 1 1 33 33 ILE H H 33 7.595 7.595 7.601 -0.006 18679 5179 1 15 . 1 1 34 34 GLN N N 34 126.803 126.803 126.926 -0.123 18679 5180 1 15 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.344 -0.089 18679 5181 1 15 . 1 1 34 34 GLN C C 34 176.167 176.167 175.781 0.386 18679 5182 1 15 . 1 1 34 34 GLN CA C 34 55.872 55.872 55.256 0.616 18679 5183 1 15 . 1 1 34 34 GLN CB C 34 29.510 29.510 28.060 1.450 18679 5184 1 15 . 1 1 34 34 GLN H H 34 8.714 8.714 8.450 0.264 18679 5185 1 15 . 1 1 35 35 GLY N N 35 110.928 110.928 109.604 1.324 18679 5186 1 15 . 1 1 35 35 GLY C C 35 172.763 172.763 174.275 -1.512 18679 5187 1 15 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.363 0.475 18679 5188 1 15 . 1 1 35 35 GLY H H 35 8.411 8.411 7.763 0.648 18679 5189 1 15 . 1 1 36 36 ASP N N 36 119.994 119.994 122.057 -2.063 18679 5190 1 15 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.389 0.410 18679 5191 1 15 . 1 1 36 36 ASP C C 36 176.584 176.584 177.287 -0.703 18679 5192 1 15 . 1 1 36 36 ASP CA C 36 53.957 53.957 54.301 -0.344 18679 5193 1 15 . 1 1 36 36 ASP CB C 36 42.297 42.297 40.866 1.431 18679 5194 1 15 . 1 1 36 36 ASP H H 36 8.319 8.319 8.161 0.158 18679 5195 1 15 . 1 1 37 37 GLY N N 37 108.688 108.688 112.415 -3.727 18679 5196 1 15 . 1 1 37 37 GLY C C 37 176.528 176.528 173.579 2.949 18679 5197 1 15 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.282 -0.606 18679 5198 1 15 . 1 1 37 37 GLY H H 37 8.390 8.390 8.777 -0.387 18679 5199 1 15 . 1 1 38 38 PHE N N 38 122.793 122.793 118.079 4.714 18679 5200 1 15 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.872 -0.105 18679 5201 1 15 . 1 1 38 38 PHE C C 38 175.402 175.402 174.162 1.240 18679 5202 1 15 . 1 1 38 38 PHE CA C 38 59.992 59.992 55.225 4.767 18679 5203 1 15 . 1 1 38 38 PHE CB C 38 39.043 39.043 40.718 -1.675 18679 5204 1 15 . 1 1 38 38 PHE H H 38 8.423 8.423 7.149 1.274 18679 5205 1 15 . 1 1 39 39 LYS N N 39 123.349 123.349 123.649 -0.300 18679 5206 1 15 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.498 -0.165 18679 5207 1 15 . 1 1 39 39 LYS C C 39 169.990 169.990 175.515 -5.525 18679 5208 1 15 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.919 -0.441 18679 5209 1 15 . 1 1 39 39 LYS CB C 39 32.335 32.335 31.160 1.175 18679 5210 1 15 . 1 1 39 39 LYS H H 39 8.592 8.592 8.649 -0.057 18679 5211 1 15 . 1 1 40 40 SER N N 40 113.941 113.941 117.429 -3.488 18679 5212 1 15 . 1 1 40 40 SER HA H 40 3.673 3.673 4.789 -1.116 18679 5213 1 15 . 1 1 40 40 SER CA C 40 57.015 57.015 57.801 -0.786 18679 5214 1 15 . 1 1 40 40 SER CB C 40 64.589 64.589 66.159 -1.569 18679 5215 1 15 . 1 1 40 40 SER H H 40 7.444 7.444 7.951 -0.507 18679 5216 1 15 . 1 1 41 41 LEU N N 41 117.107 117.107 123.189 -6.082 18679 5217 1 15 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.388 0.006 18679 5218 1 15 . 1 1 41 41 LEU C C 41 173.917 173.917 174.892 -0.975 18679 5219 1 15 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.260 -0.846 18679 5220 1 15 . 1 1 41 41 LEU CB C 41 46.815 46.815 44.001 2.814 18679 5221 1 15 . 1 1 41 41 LEU H H 41 5.598 5.598 8.089 -2.491 18679 5222 1 15 . 1 1 42 42 ASP N N 42 118.896 118.896 123.452 -4.556 18679 5223 1 15 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.230 0.664 18679 5224 1 15 . 1 1 42 42 ASP C C 42 175.559 175.559 175.982 -0.423 18679 5225 1 15 . 1 1 42 42 ASP CA C 42 52.777 52.777 54.884 -2.107 18679 5226 1 15 . 1 1 42 42 ASP CB C 42 42.970 42.970 41.567 1.403 18679 5227 1 15 . 1 1 42 42 ASP H H 42 8.156 8.156 8.348 -0.192 18679 5228 1 15 . 1 1 43 43 GLU N N 43 121.023 121.023 123.544 -2.521 18679 5229 1 15 . 1 1 43 43 GLU HA H 43 3.518 3.518 3.955 -0.437 18679 5230 1 15 . 1 1 43 43 GLU C C 43 177.211 177.211 177.008 0.203 18679 5231 1 15 . 1 1 43 43 GLU CA C 43 58.444 58.444 57.503 0.941 18679 5232 1 15 . 1 1 43 43 GLU CB C 43 29.531 29.531 28.606 0.925 18679 5233 1 15 . 1 1 43 43 GLU H H 43 8.689 8.689 8.542 0.147 18679 5234 1 15 . 1 1 44 44 GLY N N 44 113.916 113.916 113.120 0.796 18679 5235 1 15 . 1 1 44 44 GLY C C 44 173.870 173.870 174.105 -0.235 18679 5236 1 15 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.694 0.500 18679 5237 1 15 . 1 1 44 44 GLY H H 44 8.971 8.971 8.752 0.219 18679 5238 1 15 . 1 1 45 45 GLN N N 45 120.533 120.533 121.433 -0.900 18679 5239 1 15 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.346 -0.169 18679 5240 1 15 . 1 1 45 45 GLN C C 45 175.454 175.454 174.674 0.780 18679 5241 1 15 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.538 1.567 18679 5242 1 15 . 1 1 45 45 GLN CB C 45 30.398 30.398 29.917 0.481 18679 5243 1 15 . 1 1 45 45 GLN H H 45 7.634 7.634 7.652 -0.018 18679 5244 1 15 . 1 1 46 46 ALA N N 46 130.118 130.118 129.714 0.404 18679 5245 1 15 . 1 1 46 46 ALA HA H 46 4.933 4.933 4.808 0.125 18679 5246 1 15 . 1 1 46 46 ALA C C 46 178.148 178.148 176.399 1.749 18679 5247 1 15 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.474 0.732 18679 5248 1 15 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.425 -0.442 18679 5249 1 15 . 1 1 46 46 ALA H H 46 8.894 8.894 8.658 0.236 18679 5250 1 15 . 1 1 47 47 VAL N N 47 114.581 114.581 117.222 -2.641 18679 5251 1 15 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.982 0.426 18679 5252 1 15 . 1 1 47 47 VAL C C 47 175.654 175.654 174.718 0.936 18679 5253 1 15 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.357 -0.485 18679 5254 1 15 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.913 1.216 18679 5255 1 15 . 1 1 47 47 VAL H H 47 8.591 8.591 8.803 -0.212 18679 5256 1 15 . 1 1 48 48 THR N N 48 113.346 113.346 115.403 -2.057 18679 5257 1 15 . 1 1 48 48 THR HA H 48 5.398 5.398 5.228 0.170 18679 5258 1 15 . 1 1 48 48 THR C C 48 177.527 177.527 174.448 3.079 18679 5259 1 15 . 1 1 48 48 THR CA C 48 60.253 60.253 59.990 0.263 18679 5260 1 15 . 1 1 48 48 THR CB C 48 71.323 71.323 69.446 1.877 18679 5261 1 15 . 1 1 48 48 THR H H 48 8.943 8.943 9.014 -0.071 18679 5262 1 15 . 1 1 49 49 PHE N N 49 116.531 116.531 122.401 -5.870 18679 5263 1 15 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.935 -0.932 18679 5264 1 15 . 1 1 49 49 PHE C C 49 171.900 171.900 173.478 -1.578 18679 5265 1 15 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.608 1.981 18679 5266 1 15 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.237 -2.496 18679 5267 1 15 . 1 1 49 49 PHE H H 49 8.214 8.214 8.268 -0.054 18679 5268 1 15 . 1 1 50 50 ASP N N 50 118.134 118.134 119.364 -1.230 18679 5269 1 15 . 1 1 50 50 ASP HA H 50 5.167 5.167 4.927 0.240 18679 5270 1 15 . 1 1 50 50 ASP C C 50 175.559 175.559 175.334 0.225 18679 5271 1 15 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.600 1.371 18679 5272 1 15 . 1 1 50 50 ASP CB C 50 43.986 43.986 44.047 -0.061 18679 5273 1 15 . 1 1 50 50 ASP H H 50 8.862 8.862 8.700 0.162 18679 5274 1 15 . 1 1 51 51 VAL N N 51 120.815 120.815 125.676 -4.861 18679 5275 1 15 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.431 0.339 18679 5276 1 15 . 1 1 51 51 VAL C C 51 175.378 175.378 175.385 -0.007 18679 5277 1 15 . 1 1 51 51 VAL CA C 51 62.046 62.046 62.816 -0.770 18679 5278 1 15 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.328 1.526 18679 5279 1 15 . 1 1 51 51 VAL H H 51 8.700 8.700 8.489 0.211 18679 5280 1 15 . 1 1 52 52 GLU N N 52 127.575 127.575 130.611 -3.036 18679 5281 1 15 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.736 0.044 18679 5282 1 15 . 1 1 52 52 GLU C C 52 175.436 175.436 174.755 0.681 18679 5283 1 15 . 1 1 52 52 GLU CA C 52 54.133 54.133 53.888 0.245 18679 5284 1 15 . 1 1 52 52 GLU CB C 52 32.295 32.295 33.704 -1.409 18679 5285 1 15 . 1 1 52 52 GLU H H 52 9.062 9.062 9.476 -0.414 18679 5286 1 15 . 1 1 53 53 GLU N N 53 124.119 124.119 122.763 1.356 18679 5287 1 15 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.625 -0.365 18679 5288 1 15 . 1 1 53 53 GLU C C 53 176.436 176.436 176.135 0.301 18679 5289 1 15 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.486 0.931 18679 5290 1 15 . 1 1 53 53 GLU CB C 53 29.392 29.392 30.427 -1.035 18679 5291 1 15 . 1 1 53 53 GLU H H 53 8.808 8.808 8.695 0.113 18679 5292 1 15 . 1 1 54 54 GLY N N 54 113.794 113.794 111.620 2.174 18679 5293 1 15 . 1 1 54 54 GLY C C 54 175.559 175.559 174.953 0.606 18679 5294 1 15 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.136 0.391 18679 5295 1 15 . 1 1 54 54 GLY H H 54 7.822 7.822 8.130 -0.308 18679 5296 1 15 . 1 1 55 55 GLN N N 55 121.059 121.059 120.254 0.805 18679 5297 1 15 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.236 0.521 18679 5298 1 15 . 1 1 55 55 GLN C C 55 177.419 177.419 176.471 0.948 18679 5299 1 15 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.358 1.266 18679 5300 1 15 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.491 0.742 18679 5301 1 15 . 1 1 55 55 GLN H H 55 8.685 8.685 8.806 -0.121 18679 5302 1 15 . 1 1 56 56 ARG N N 56 116.444 116.444 117.784 -1.340 18679 5303 1 15 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.450 -0.024 18679 5304 1 15 . 1 1 56 56 ARG C C 56 175.110 175.110 175.176 -0.066 18679 5305 1 15 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.629 -0.793 18679 5306 1 15 . 1 1 56 56 ARG CB C 56 30.092 30.092 31.325 -1.233 18679 5307 1 15 . 1 1 56 56 ARG H H 56 8.491 8.491 8.066 0.425 18679 5308 1 15 . 1 1 57 57 GLY N N 57 107.667 107.667 109.142 -1.475 18679 5309 1 15 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.390 -0.189 18679 5310 1 15 . 1 1 57 57 GLY H H 57 7.316 7.316 7.523 -0.207 18679 5311 1 15 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.560 0.250 18679 5312 1 15 . 1 1 58 58 PRO C C 58 176.345 176.345 175.322 1.023 18679 5313 1 15 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.761 0.357 18679 5314 1 15 . 1 1 58 58 PRO CB C 58 32.517 32.517 32.049 0.468 18679 5315 1 15 . 1 1 59 59 GLN N N 59 121.136 121.136 124.676 -3.540 18679 5316 1 15 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.225 -0.065 18679 5317 1 15 . 1 1 59 59 GLN C C 59 173.910 173.910 174.640 -0.730 18679 5318 1 15 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.593 0.691 18679 5319 1 15 . 1 1 59 59 GLN CB C 59 32.688 32.688 32.827 -0.139 18679 5320 1 15 . 1 1 59 59 GLN H H 59 9.086 9.086 9.035 0.051 18679 5321 1 15 . 1 1 60 60 ALA N N 60 123.241 123.241 128.066 -4.825 18679 5322 1 15 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.583 0.295 18679 5323 1 15 . 1 1 60 60 ALA C C 60 176.210 176.210 175.322 0.888 18679 5324 1 15 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.217 -0.001 18679 5325 1 15 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.066 1.205 18679 5326 1 15 . 1 1 60 60 ALA H H 60 8.796 8.796 8.407 0.389 18679 5327 1 15 . 1 1 61 61 ALA N N 61 123.741 123.741 125.752 -2.011 18679 5328 1 15 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.590 0.080 18679 5329 1 15 . 1 1 61 61 ALA C C 61 175.840 175.840 175.894 -0.054 18679 5330 1 15 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.337 0.531 18679 5331 1 15 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.567 0.496 18679 5332 1 15 . 1 1 61 61 ALA H H 61 9.165 9.165 8.389 0.776 18679 5333 1 15 . 1 1 62 62 ASN N N 62 118.727 118.727 115.910 2.817 18679 5334 1 15 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.424 -0.174 18679 5335 1 15 . 1 1 62 62 ASN C C 62 178.093 178.093 174.037 4.056 18679 5336 1 15 . 1 1 62 62 ASN CA C 62 53.967 53.967 53.996 -0.029 18679 5337 1 15 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.455 0.774 18679 5338 1 15 . 1 1 62 62 ASN H H 62 9.288 9.288 8.860 0.428 18679 5339 1 15 . 1 1 63 63 VAL N N 63 116.869 116.869 119.622 -2.753 18679 5340 1 15 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.203 0.180 18679 5341 1 15 . 1 1 63 63 VAL C C 63 175.378 175.378 175.313 0.065 18679 5342 1 15 . 1 1 63 63 VAL CA C 63 63.116 63.116 61.761 1.355 18679 5343 1 15 . 1 1 63 63 VAL CB C 63 31.509 31.509 29.519 1.990 18679 5344 1 15 . 1 1 63 63 VAL H H 63 8.129 8.129 8.096 0.033 18679 5345 1 15 . 1 1 64 64 GLN N N 64 127.534 127.534 127.489 0.045 18679 5346 1 15 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.389 0.388 18679 5347 1 15 . 1 1 64 64 GLN CA C 64 54.133 54.133 55.252 -1.119 18679 5348 1 15 . 1 1 64 64 GLN CB C 64 32.174 32.174 29.728 2.446 18679 5349 1 15 . 1 1 64 64 GLN H H 64 9.104 9.104 8.502 0.602 18679 5350 1 15 . 1 1 65 65 LYS N N 65 122.593 122.593 124.869 -2.276 18679 5351 1 15 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.217 0.078 18679 5352 1 15 . 1 1 65 65 LYS C C 65 175.520 175.520 176.104 -0.584 18679 5353 1 15 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.227 1.533 18679 5354 1 15 . 1 1 65 65 LYS CB C 65 32.714 32.714 33.142 -0.428 18679 5355 1 15 . 1 1 65 65 LYS H H 65 8.637 8.637 8.576 0.061 18679 5356 1 16 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.631 0.295 18679 5357 1 16 . 1 1 2 2 GLU C C 2 173.979 173.979 174.204 -0.225 18679 5358 1 16 . 1 1 2 2 GLU CB C 2 26.849 26.849 34.289 -7.440 18679 5359 1 16 . 1 1 3 3 GLN N N 3 116.901 116.901 123.177 -6.276 18679 5360 1 16 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.787 0.363 18679 5361 1 16 . 1 1 3 3 GLN C C 3 175.962 175.962 175.538 0.424 18679 5362 1 16 . 1 1 3 3 GLN CA C 3 54.124 54.124 55.165 -1.041 18679 5363 1 16 . 1 1 3 3 GLN CB C 3 31.938 31.938 30.084 1.854 18679 5364 1 16 . 1 1 3 3 GLN H H 3 8.202 8.202 8.568 -0.366 18679 5365 1 16 . 1 1 4 4 GLY N N 4 108.174 108.174 114.355 -6.181 18679 5366 1 16 . 1 1 4 4 GLY C C 4 172.109 172.109 172.935 -0.826 18679 5367 1 16 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.653 0.961 18679 5368 1 16 . 1 1 4 4 GLY H H 4 8.629 8.629 9.169 -0.540 18679 5369 1 16 . 1 1 5 5 THR N N 5 114.528 114.528 118.583 -4.055 18679 5370 1 16 . 1 1 5 5 THR HA H 5 5.210 5.210 4.625 0.585 18679 5371 1 16 . 1 1 5 5 THR C C 5 173.994 173.994 174.656 -0.662 18679 5372 1 16 . 1 1 5 5 THR CA C 5 60.077 60.077 62.460 -2.383 18679 5373 1 16 . 1 1 5 5 THR CB C 5 71.635 71.635 69.526 2.109 18679 5374 1 16 . 1 1 5 5 THR H H 5 8.417 8.417 8.279 0.138 18679 5375 1 16 . 1 1 6 6 VAL N N 6 125.816 125.816 128.444 -2.628 18679 5376 1 16 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.767 -0.246 18679 5377 1 16 . 1 1 6 6 VAL C C 6 175.620 175.620 175.872 -0.252 18679 5378 1 16 . 1 1 6 6 VAL CA C 6 65.068 65.068 64.469 0.599 18679 5379 1 16 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.844 0.788 18679 5380 1 16 . 1 1 6 6 VAL H H 6 8.908 8.908 9.056 -0.148 18679 5381 1 16 . 1 1 7 7 LYS N N 7 135.919 135.919 128.191 7.728 18679 5382 1 16 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.108 0.106 18679 5383 1 16 . 1 1 7 7 LYS C C 7 175.913 175.913 176.541 -0.628 18679 5384 1 16 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.088 0.666 18679 5385 1 16 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.566 1.526 18679 5386 1 16 . 1 1 7 7 LYS H H 7 9.260 9.260 8.472 0.788 18679 5387 1 16 . 1 1 8 8 TRP N N 8 110.597 110.597 119.103 -8.506 18679 5388 1 16 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.831 -0.264 18679 5389 1 16 . 1 1 8 8 TRP C C 8 173.327 173.327 174.237 -0.910 18679 5390 1 16 . 1 1 8 8 TRP CA C 8 55.871 55.871 56.656 -0.785 18679 5391 1 16 . 1 1 8 8 TRP CB C 8 30.675 30.675 32.829 -2.154 18679 5392 1 16 . 1 1 8 8 TRP H H 8 7.372 7.372 8.018 -0.646 18679 5393 1 16 . 1 1 9 9 PHE N N 9 120.373 120.373 124.804 -4.431 18679 5394 1 16 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.771 -0.591 18679 5395 1 16 . 1 1 9 9 PHE C C 9 172.561 172.561 174.089 -1.528 18679 5396 1 16 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.790 2.320 18679 5397 1 16 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.691 1.596 18679 5398 1 16 . 1 1 9 9 PHE H H 9 9.265 9.265 8.945 0.320 18679 5399 1 16 . 1 1 10 10 ASN N N 10 127.710 127.710 126.951 0.759 18679 5400 1 16 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.589 0.344 18679 5401 1 16 . 1 1 10 10 ASN C C 10 174.373 174.373 174.830 -0.457 18679 5402 1 16 . 1 1 10 10 ASN CA C 10 51.898 51.898 50.940 0.958 18679 5403 1 16 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.445 1.464 18679 5404 1 16 . 1 1 10 10 ASN H H 10 8.223 8.223 8.399 -0.176 18679 5405 1 16 . 1 1 11 11 ALA N N 11 129.186 129.186 126.761 2.425 18679 5406 1 16 . 1 1 11 11 ALA HA H 11 4.303 4.303 4.008 0.295 18679 5407 1 16 . 1 1 11 11 ALA C C 11 176.087 176.087 178.199 -2.112 18679 5408 1 16 . 1 1 11 11 ALA CA C 11 53.809 53.809 53.700 0.109 18679 5409 1 16 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.648 0.053 18679 5410 1 16 . 1 1 11 11 ALA H H 11 9.119 9.119 7.810 1.309 18679 5411 1 16 . 1 1 12 12 GLU N N 12 116.366 116.366 117.290 -0.924 18679 5412 1 16 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.112 -0.089 18679 5413 1 16 . 1 1 12 12 GLU C C 12 175.119 175.119 177.154 -2.035 18679 5414 1 16 . 1 1 12 12 GLU CA C 12 58.448 58.448 57.831 0.617 18679 5415 1 16 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.491 -0.335 18679 5416 1 16 . 1 1 12 12 GLU H H 12 8.082 8.082 7.855 0.227 18679 5417 1 16 . 1 1 13 13 LYS N N 13 113.821 113.821 115.855 -2.034 18679 5418 1 16 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.365 -0.053 18679 5419 1 16 . 1 1 13 13 LYS C C 13 177.130 177.130 176.774 0.356 18679 5420 1 16 . 1 1 13 13 LYS CA C 13 56.812 56.812 56.199 0.613 18679 5421 1 16 . 1 1 13 13 LYS CB C 13 34.614 34.614 35.156 -0.542 18679 5422 1 16 . 1 1 13 13 LYS H H 13 7.273 7.273 7.235 0.038 18679 5423 1 16 . 1 1 14 14 GLY N N 14 105.929 105.929 108.527 -2.598 18679 5424 1 16 . 1 1 14 14 GLY C C 14 172.485 172.485 172.931 -0.446 18679 5425 1 16 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.169 1.585 18679 5426 1 16 . 1 1 14 14 GLY H H 14 8.370 8.370 8.077 0.293 18679 5427 1 16 . 1 1 15 15 PHE N N 15 112.060 112.060 115.196 -3.136 18679 5428 1 16 . 1 1 15 15 PHE HA H 15 4.814 4.814 4.816 -0.002 18679 5429 1 16 . 1 1 15 15 PHE C C 15 171.414 171.414 172.594 -1.180 18679 5430 1 16 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.350 -1.631 18679 5431 1 16 . 1 1 15 15 PHE CB C 15 42.723 42.723 40.203 2.520 18679 5432 1 16 . 1 1 15 15 PHE H H 15 6.572 6.572 7.240 -0.668 18679 5433 1 16 . 1 1 16 16 GLY N N 16 105.419 105.419 105.434 -0.015 18679 5434 1 16 . 1 1 16 16 GLY C C 16 173.812 173.812 171.414 2.398 18679 5435 1 16 . 1 1 16 16 GLY CA C 16 44.912 44.912 45.476 -0.564 18679 5436 1 16 . 1 1 16 16 GLY H H 16 7.851 7.851 7.852 -0.001 18679 5437 1 16 . 1 1 17 17 PHE N N 17 115.154 115.154 118.236 -3.082 18679 5438 1 16 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.434 -0.426 18679 5439 1 16 . 1 1 17 17 PHE C C 17 174.568 174.568 174.742 -0.174 18679 5440 1 16 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.649 0.075 18679 5441 1 16 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.905 2.284 18679 5442 1 16 . 1 1 17 17 PHE H H 17 7.800 7.800 8.931 -1.131 18679 5443 1 16 . 1 1 18 18 ILE N N 18 122.756 122.756 123.050 -0.294 18679 5444 1 16 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.735 -0.674 18679 5445 1 16 . 1 1 18 18 ILE C C 18 174.459 174.459 175.164 -0.705 18679 5446 1 16 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.111 0.045 18679 5447 1 16 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.432 0.947 18679 5448 1 16 . 1 1 18 18 ILE H H 18 9.337 9.337 8.941 0.396 18679 5449 1 16 . 1 1 19 19 GLU N N 19 126.777 126.777 127.301 -0.524 18679 5450 1 16 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.721 0.194 18679 5451 1 16 . 1 1 19 19 GLU C C 19 175.169 175.169 175.442 -0.273 18679 5452 1 16 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.605 -0.625 18679 5453 1 16 . 1 1 19 19 GLU CB C 19 32.204 32.204 30.863 1.341 18679 5454 1 16 . 1 1 19 19 GLU H H 19 9.294 9.294 8.525 0.769 18679 5455 1 16 . 1 1 20 20 ARG N N 20 123.573 123.573 125.191 -1.618 18679 5456 1 16 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.586 -0.566 18679 5457 1 16 . 1 1 20 20 ARG C C 20 176.345 176.345 177.770 -1.425 18679 5458 1 16 . 1 1 20 20 ARG CA C 20 55.406 55.406 55.787 -0.381 18679 5459 1 16 . 1 1 20 20 ARG CB C 20 33.630 33.630 31.929 1.701 18679 5460 1 16 . 1 1 20 20 ARG H H 20 9.290 9.290 8.909 0.381 18679 5461 1 16 . 1 1 21 21 GLU N N 21 121.542 121.542 121.855 -0.313 18679 5462 1 16 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.154 -0.054 18679 5463 1 16 . 1 1 21 21 GLU C C 21 177.265 177.265 176.614 0.651 18679 5464 1 16 . 1 1 21 21 GLU CA C 21 58.795 58.795 58.895 -0.100 18679 5465 1 16 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.439 0.469 18679 5466 1 16 . 1 1 21 21 GLU H H 21 9.066 9.066 9.061 0.005 18679 5467 1 16 . 1 1 22 22 ASN N N 22 115.336 115.336 115.400 -0.064 18679 5468 1 16 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.806 -0.058 18679 5469 1 16 . 1 1 22 22 ASN C C 22 174.806 174.806 175.955 -1.149 18679 5470 1 16 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.893 0.236 18679 5471 1 16 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.217 0.803 18679 5472 1 16 . 1 1 22 22 ASN H H 22 8.257 8.257 8.045 0.212 18679 5473 1 16 . 1 1 23 23 GLY N N 23 107.564 107.564 108.215 -0.651 18679 5474 1 16 . 1 1 23 23 GLY C C 23 172.948 172.948 173.818 -0.870 18679 5475 1 16 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.252 -0.556 18679 5476 1 16 . 1 1 23 23 GLY H H 23 7.866 7.866 8.187 -0.321 18679 5477 1 16 . 1 1 24 24 ASP N N 24 120.038 120.038 121.859 -1.821 18679 5478 1 16 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.654 -0.026 18679 5479 1 16 . 1 1 24 24 ASP C C 24 175.559 175.559 175.807 -0.248 18679 5480 1 16 . 1 1 24 24 ASP CA C 24 54.453 54.453 53.111 1.342 18679 5481 1 16 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.832 0.712 18679 5482 1 16 . 1 1 24 24 ASP H H 24 8.370 8.370 7.861 0.509 18679 5483 1 16 . 1 1 25 25 ASP N N 25 120.666 120.666 127.532 -6.866 18679 5484 1 16 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.632 0.289 18679 5485 1 16 . 1 1 25 25 ASP C C 25 176.258 176.258 175.782 0.476 18679 5486 1 16 . 1 1 25 25 ASP CA C 25 54.973 54.973 55.364 -0.391 18679 5487 1 16 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.489 1.999 18679 5488 1 16 . 1 1 25 25 ASP H H 25 8.698 8.698 8.056 0.642 18679 5489 1 16 . 1 1 26 26 VAL N N 26 120.541 120.541 123.918 -3.377 18679 5490 1 16 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.040 0.306 18679 5491 1 16 . 1 1 26 26 VAL C C 26 174.724 174.724 175.698 -0.974 18679 5492 1 16 . 1 1 26 26 VAL CA C 26 60.847 60.847 62.516 -1.669 18679 5493 1 16 . 1 1 26 26 VAL CB C 26 34.500 34.500 32.244 2.256 18679 5494 1 16 . 1 1 26 26 VAL H H 26 9.365 9.365 8.590 0.775 18679 5495 1 16 . 1 1 27 27 PHE N N 27 130.752 130.752 129.627 1.125 18679 5496 1 16 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.884 -1.354 18679 5497 1 16 . 1 1 27 27 PHE C C 27 172.517 172.517 174.759 -2.242 18679 5498 1 16 . 1 1 27 27 PHE CA C 27 58.978 58.978 57.132 1.846 18679 5499 1 16 . 1 1 27 27 PHE CB C 27 39.934 39.934 39.599 0.335 18679 5500 1 16 . 1 1 27 27 PHE H H 27 8.335 8.335 8.434 -0.099 18679 5501 1 16 . 1 1 28 28 VAL N N 28 124.530 124.530 128.193 -3.663 18679 5502 1 16 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.067 0.326 18679 5503 1 16 . 1 1 28 28 VAL C C 28 170.556 170.556 173.532 -2.976 18679 5504 1 16 . 1 1 28 28 VAL CA C 28 57.706 57.706 60.646 -2.940 18679 5505 1 16 . 1 1 28 28 VAL CB C 28 34.597 34.597 33.614 0.983 18679 5506 1 16 . 1 1 28 28 VAL H H 28 7.411 7.411 8.259 -0.848 18679 5507 1 16 . 1 1 29 29 HIS N N 29 127.448 127.448 122.103 5.345 18679 5508 1 16 . 1 1 29 29 HIS HA H 29 4.559 4.559 4.908 -0.349 18679 5509 1 16 . 1 1 29 29 HIS C C 29 177.582 177.582 175.805 1.777 18679 5510 1 16 . 1 1 29 29 HIS CA C 29 55.739 55.739 53.912 1.827 18679 5511 1 16 . 1 1 29 29 HIS CB C 29 33.542 33.542 31.899 1.643 18679 5512 1 16 . 1 1 29 29 HIS H H 29 8.561 8.561 7.656 0.905 18679 5513 1 16 . 1 1 30 30 PHE N N 30 122.691 122.691 119.463 3.228 18679 5514 1 16 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.223 -0.361 18679 5515 1 16 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.430 -0.440 18679 5516 1 16 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.445 -1.965 18679 5517 1 16 . 1 1 30 30 PHE H H 30 7.970 7.970 8.210 -0.240 18679 5518 1 16 . 1 1 31 31 SER N N 31 118.356 118.356 114.580 3.776 18679 5519 1 16 . 1 1 31 31 SER HA H 31 3.858 3.858 4.316 -0.458 18679 5520 1 16 . 1 1 31 31 SER C C 31 175.382 175.382 174.210 1.172 18679 5521 1 16 . 1 1 31 31 SER CA C 31 59.761 59.761 58.844 0.917 18679 5522 1 16 . 1 1 31 31 SER CB C 31 62.630 62.630 63.059 -0.429 18679 5523 1 16 . 1 1 31 31 SER H H 31 7.623 7.623 7.481 0.142 18679 5524 1 16 . 1 1 32 32 ALA N N 32 124.536 124.536 123.526 1.010 18679 5525 1 16 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.539 -0.134 18679 5526 1 16 . 1 1 32 32 ALA C C 32 177.706 177.706 176.391 1.315 18679 5527 1 16 . 1 1 32 32 ALA CA C 32 52.384 52.384 51.718 0.666 18679 5528 1 16 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.945 0.228 18679 5529 1 16 . 1 1 32 32 ALA H H 32 7.902 7.902 7.829 0.073 18679 5530 1 16 . 1 1 33 33 ILE N N 33 121.051 121.051 122.118 -1.067 18679 5531 1 16 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.890 -0.049 18679 5532 1 16 . 1 1 33 33 ILE C C 33 175.517 175.517 175.100 0.417 18679 5533 1 16 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.774 0.478 18679 5534 1 16 . 1 1 33 33 ILE CB C 33 37.984 37.984 37.867 0.117 18679 5535 1 16 . 1 1 33 33 ILE H H 33 7.595 7.595 7.469 0.126 18679 5536 1 16 . 1 1 34 34 GLN N N 34 126.803 126.803 126.828 -0.025 18679 5537 1 16 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.488 -0.233 18679 5538 1 16 . 1 1 34 34 GLN C C 34 176.167 176.167 176.515 -0.348 18679 5539 1 16 . 1 1 34 34 GLN CA C 34 55.872 55.872 55.263 0.609 18679 5540 1 16 . 1 1 34 34 GLN CB C 34 29.510 29.510 27.912 1.598 18679 5541 1 16 . 1 1 34 34 GLN H H 34 8.714 8.714 8.631 0.083 18679 5542 1 16 . 1 1 35 35 GLY N N 35 110.928 110.928 114.102 -3.174 18679 5543 1 16 . 1 1 35 35 GLY C C 35 172.763 172.763 172.636 0.127 18679 5544 1 16 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.559 0.279 18679 5545 1 16 . 1 1 35 35 GLY H H 35 8.411 8.411 8.793 -0.382 18679 5546 1 16 . 1 1 36 36 ASP N N 36 119.994 119.994 121.765 -1.771 18679 5547 1 16 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.561 0.238 18679 5548 1 16 . 1 1 36 36 ASP C C 36 176.584 176.584 176.352 0.232 18679 5549 1 16 . 1 1 36 36 ASP CA C 36 53.957 53.957 54.321 -0.364 18679 5550 1 16 . 1 1 36 36 ASP CB C 36 42.297 42.297 40.954 1.343 18679 5551 1 16 . 1 1 36 36 ASP H H 36 8.319 8.319 7.814 0.505 18679 5552 1 16 . 1 1 37 37 GLY N N 37 108.688 108.688 114.797 -6.109 18679 5553 1 16 . 1 1 37 37 GLY C C 37 176.528 176.528 173.074 3.454 18679 5554 1 16 . 1 1 37 37 GLY CA C 37 44.676 44.676 44.805 -0.129 18679 5555 1 16 . 1 1 37 37 GLY H H 37 8.390 8.390 8.008 0.382 18679 5556 1 16 . 1 1 38 38 PHE N N 38 122.793 122.793 123.319 -0.526 18679 5557 1 16 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.759 0.008 18679 5558 1 16 . 1 1 38 38 PHE C C 38 175.402 175.402 175.707 -0.305 18679 5559 1 16 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.167 2.825 18679 5560 1 16 . 1 1 38 38 PHE CB C 38 39.043 39.043 40.609 -1.566 18679 5561 1 16 . 1 1 38 38 PHE H H 38 8.423 8.423 8.168 0.255 18679 5562 1 16 . 1 1 39 39 LYS N N 39 123.349 123.349 126.882 -3.533 18679 5563 1 16 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.475 -0.142 18679 5564 1 16 . 1 1 39 39 LYS C C 39 169.990 169.990 175.525 -5.535 18679 5565 1 16 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.556 -0.078 18679 5566 1 16 . 1 1 39 39 LYS CB C 39 32.335 32.335 31.408 0.927 18679 5567 1 16 . 1 1 39 39 LYS H H 39 8.592 8.592 8.808 -0.216 18679 5568 1 16 . 1 1 40 40 SER N N 40 113.941 113.941 115.530 -1.589 18679 5569 1 16 . 1 1 40 40 SER HA H 40 3.673 3.673 4.303 -0.630 18679 5570 1 16 . 1 1 40 40 SER CA C 40 57.015 57.015 57.495 -0.480 18679 5571 1 16 . 1 1 40 40 SER CB C 40 64.589 64.589 64.907 -0.319 18679 5572 1 16 . 1 1 40 40 SER H H 40 7.444 7.444 7.813 -0.369 18679 5573 1 16 . 1 1 41 41 LEU N N 41 117.107 117.107 124.878 -7.771 18679 5574 1 16 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.194 0.200 18679 5575 1 16 . 1 1 41 41 LEU C C 41 173.917 173.917 176.051 -2.134 18679 5576 1 16 . 1 1 41 41 LEU CA C 41 52.414 52.414 54.081 -1.667 18679 5577 1 16 . 1 1 41 41 LEU CB C 41 46.815 46.815 42.797 4.018 18679 5578 1 16 . 1 1 41 41 LEU H H 41 5.598 5.598 6.937 -1.339 18679 5579 1 16 . 1 1 42 42 ASP N N 42 118.896 118.896 123.755 -4.859 18679 5580 1 16 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.734 0.160 18679 5581 1 16 . 1 1 42 42 ASP C C 42 175.559 175.559 175.630 -0.071 18679 5582 1 16 . 1 1 42 42 ASP CA C 42 52.777 52.777 53.205 -0.428 18679 5583 1 16 . 1 1 42 42 ASP CB C 42 42.970 42.970 42.460 0.510 18679 5584 1 16 . 1 1 42 42 ASP H H 42 8.156 8.156 8.502 -0.346 18679 5585 1 16 . 1 1 43 43 GLU N N 43 121.023 121.023 123.056 -2.033 18679 5586 1 16 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.097 -0.579 18679 5587 1 16 . 1 1 43 43 GLU C C 43 177.211 177.211 177.620 -0.409 18679 5588 1 16 . 1 1 43 43 GLU CA C 43 58.444 58.444 56.718 1.726 18679 5589 1 16 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.149 0.382 18679 5590 1 16 . 1 1 43 43 GLU H H 43 8.689 8.689 8.717 -0.028 18679 5591 1 16 . 1 1 44 44 GLY N N 44 113.916 113.916 111.582 2.334 18679 5592 1 16 . 1 1 44 44 GLY C C 44 173.870 173.870 174.066 -0.196 18679 5593 1 16 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.850 0.344 18679 5594 1 16 . 1 1 44 44 GLY H H 44 8.971 8.971 8.698 0.273 18679 5595 1 16 . 1 1 45 45 GLN N N 45 120.533 120.533 121.777 -1.244 18679 5596 1 16 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.429 -0.252 18679 5597 1 16 . 1 1 45 45 GLN C C 45 175.454 175.454 174.223 1.231 18679 5598 1 16 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.333 1.772 18679 5599 1 16 . 1 1 45 45 GLN CB C 45 30.398 30.398 30.368 0.030 18679 5600 1 16 . 1 1 45 45 GLN H H 45 7.634 7.634 7.605 0.029 18679 5601 1 16 . 1 1 46 46 ALA N N 46 130.118 130.118 128.431 1.687 18679 5602 1 16 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.081 -0.148 18679 5603 1 16 . 1 1 46 46 ALA C C 46 178.148 178.148 176.511 1.637 18679 5604 1 16 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.054 1.152 18679 5605 1 16 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.884 -0.901 18679 5606 1 16 . 1 1 46 46 ALA H H 46 8.894 8.894 8.462 0.432 18679 5607 1 16 . 1 1 47 47 VAL N N 47 114.581 114.581 119.017 -4.436 18679 5608 1 16 . 1 1 47 47 VAL HA H 47 5.408 5.408 5.006 0.402 18679 5609 1 16 . 1 1 47 47 VAL C C 47 175.654 175.654 174.723 0.931 18679 5610 1 16 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.060 -0.188 18679 5611 1 16 . 1 1 47 47 VAL CB C 47 37.129 37.129 34.962 2.167 18679 5612 1 16 . 1 1 47 47 VAL H H 47 8.591 8.591 8.764 -0.173 18679 5613 1 16 . 1 1 48 48 THR N N 48 113.346 113.346 113.680 -0.334 18679 5614 1 16 . 1 1 48 48 THR HA H 48 5.398 5.398 5.188 0.210 18679 5615 1 16 . 1 1 48 48 THR C C 48 177.527 177.527 174.247 3.280 18679 5616 1 16 . 1 1 48 48 THR CA C 48 60.253 60.253 60.095 0.158 18679 5617 1 16 . 1 1 48 48 THR CB C 48 71.323 71.323 68.981 2.342 18679 5618 1 16 . 1 1 48 48 THR H H 48 8.943 8.943 8.188 0.755 18679 5619 1 16 . 1 1 49 49 PHE N N 49 116.531 116.531 122.387 -5.856 18679 5620 1 16 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.966 -0.963 18679 5621 1 16 . 1 1 49 49 PHE C C 49 171.900 171.900 173.540 -1.640 18679 5622 1 16 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.478 2.111 18679 5623 1 16 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.514 -2.773 18679 5624 1 16 . 1 1 49 49 PHE H H 49 8.214 8.214 8.602 -0.388 18679 5625 1 16 . 1 1 50 50 ASP N N 50 118.134 118.134 120.175 -2.041 18679 5626 1 16 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.075 0.092 18679 5627 1 16 . 1 1 50 50 ASP C C 50 175.559 175.559 175.069 0.490 18679 5628 1 16 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.478 1.493 18679 5629 1 16 . 1 1 50 50 ASP CB C 50 43.986 43.986 44.093 -0.107 18679 5630 1 16 . 1 1 50 50 ASP H H 50 8.862 8.862 9.110 -0.248 18679 5631 1 16 . 1 1 51 51 VAL N N 51 120.815 120.815 125.702 -4.887 18679 5632 1 16 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.281 0.489 18679 5633 1 16 . 1 1 51 51 VAL C C 51 175.378 175.378 175.627 -0.249 18679 5634 1 16 . 1 1 51 51 VAL CA C 51 62.046 62.046 63.320 -1.274 18679 5635 1 16 . 1 1 51 51 VAL CB C 51 33.854 33.854 31.848 2.006 18679 5636 1 16 . 1 1 51 51 VAL H H 51 8.700 8.700 8.749 -0.049 18679 5637 1 16 . 1 1 52 52 GLU N N 52 127.575 127.575 129.616 -2.041 18679 5638 1 16 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.482 0.298 18679 5639 1 16 . 1 1 52 52 GLU C C 52 175.436 175.436 176.118 -0.682 18679 5640 1 16 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.572 -0.439 18679 5641 1 16 . 1 1 52 52 GLU CB C 52 32.295 32.295 32.511 -0.216 18679 5642 1 16 . 1 1 52 52 GLU H H 52 9.062 9.062 9.007 0.055 18679 5643 1 16 . 1 1 53 53 GLU N N 53 124.119 124.119 124.296 -0.177 18679 5644 1 16 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.457 -0.197 18679 5645 1 16 . 1 1 53 53 GLU C C 53 176.436 176.436 176.699 -0.263 18679 5646 1 16 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.594 0.823 18679 5647 1 16 . 1 1 53 53 GLU CB C 53 29.392 29.392 29.270 0.122 18679 5648 1 16 . 1 1 53 53 GLU H H 53 8.808 8.808 8.709 0.099 18679 5649 1 16 . 1 1 54 54 GLY N N 54 113.794 113.794 111.548 2.246 18679 5650 1 16 . 1 1 54 54 GLY C C 54 175.559 175.559 175.772 -0.213 18679 5651 1 16 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.359 0.168 18679 5652 1 16 . 1 1 54 54 GLY H H 54 7.822 7.822 7.800 0.022 18679 5653 1 16 . 1 1 55 55 GLN N N 55 121.059 121.059 118.956 2.103 18679 5654 1 16 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.099 0.658 18679 5655 1 16 . 1 1 55 55 GLN C C 55 177.419 177.419 176.560 0.859 18679 5656 1 16 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.762 0.862 18679 5657 1 16 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.733 0.500 18679 5658 1 16 . 1 1 55 55 GLN H H 55 8.685 8.685 8.589 0.096 18679 5659 1 16 . 1 1 56 56 ARG N N 56 116.444 116.444 117.022 -0.578 18679 5660 1 16 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.690 -0.264 18679 5661 1 16 . 1 1 56 56 ARG C C 56 175.110 175.110 175.128 -0.018 18679 5662 1 16 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.597 -0.761 18679 5663 1 16 . 1 1 56 56 ARG CB C 56 30.092 30.092 30.923 -0.831 18679 5664 1 16 . 1 1 56 56 ARG H H 56 8.491 8.491 8.101 0.390 18679 5665 1 16 . 1 1 57 57 GLY N N 57 107.667 107.667 109.516 -1.849 18679 5666 1 16 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.824 -0.623 18679 5667 1 16 . 1 1 57 57 GLY H H 57 7.316 7.316 7.290 0.026 18679 5668 1 16 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.875 -0.065 18679 5669 1 16 . 1 1 58 58 PRO C C 58 176.345 176.345 175.662 0.683 18679 5670 1 16 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.503 0.615 18679 5671 1 16 . 1 1 58 58 PRO CB C 58 32.517 32.517 32.511 0.006 18679 5672 1 16 . 1 1 59 59 GLN N N 59 121.136 121.136 123.452 -2.316 18679 5673 1 16 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.226 -0.066 18679 5674 1 16 . 1 1 59 59 GLN C C 59 173.910 173.910 174.837 -0.927 18679 5675 1 16 . 1 1 59 59 GLN CA C 59 54.284 54.284 54.183 0.101 18679 5676 1 16 . 1 1 59 59 GLN CB C 59 32.688 32.688 32.988 -0.300 18679 5677 1 16 . 1 1 59 59 GLN H H 59 9.086 9.086 9.015 0.071 18679 5678 1 16 . 1 1 60 60 ALA N N 60 123.241 123.241 127.448 -4.207 18679 5679 1 16 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.635 0.243 18679 5680 1 16 . 1 1 60 60 ALA C C 60 176.210 176.210 175.369 0.841 18679 5681 1 16 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.462 -0.245 18679 5682 1 16 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.072 1.199 18679 5683 1 16 . 1 1 60 60 ALA H H 60 8.796 8.796 8.888 -0.092 18679 5684 1 16 . 1 1 61 61 ALA N N 61 123.741 123.741 126.394 -2.653 18679 5685 1 16 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.534 0.136 18679 5686 1 16 . 1 1 61 61 ALA C C 61 175.840 175.840 175.699 0.141 18679 5687 1 16 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.093 0.775 18679 5688 1 16 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.549 0.514 18679 5689 1 16 . 1 1 61 61 ALA H H 61 9.165 9.165 8.679 0.486 18679 5690 1 16 . 1 1 62 62 ASN N N 62 118.727 118.727 116.101 2.626 18679 5691 1 16 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.415 -0.165 18679 5692 1 16 . 1 1 62 62 ASN C C 62 178.093 178.093 173.922 4.171 18679 5693 1 16 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.010 -0.043 18679 5694 1 16 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.433 0.796 18679 5695 1 16 . 1 1 62 62 ASN H H 62 9.288 9.288 8.867 0.421 18679 5696 1 16 . 1 1 63 63 VAL N N 63 116.869 116.869 120.700 -3.831 18679 5697 1 16 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.080 0.303 18679 5698 1 16 . 1 1 63 63 VAL C C 63 175.378 175.378 174.946 0.432 18679 5699 1 16 . 1 1 63 63 VAL CA C 63 63.116 63.116 62.359 0.757 18679 5700 1 16 . 1 1 63 63 VAL CB C 63 31.509 31.509 30.577 0.932 18679 5701 1 16 . 1 1 63 63 VAL H H 63 8.129 8.129 8.469 -0.340 18679 5702 1 16 . 1 1 64 64 GLN N N 64 127.534 127.534 126.989 0.545 18679 5703 1 16 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.621 0.156 18679 5704 1 16 . 1 1 64 64 GLN CA C 64 54.133 54.133 54.213 -0.080 18679 5705 1 16 . 1 1 64 64 GLN CB C 64 32.174 32.174 31.450 0.724 18679 5706 1 16 . 1 1 64 64 GLN H H 64 9.104 9.104 8.834 0.270 18679 5707 1 16 . 1 1 65 65 LYS N N 65 122.593 122.593 123.114 -0.521 18679 5708 1 16 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.294 0.001 18679 5709 1 16 . 1 1 65 65 LYS C C 65 175.520 175.520 175.483 0.037 18679 5710 1 16 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.734 1.026 18679 5711 1 16 . 1 1 65 65 LYS CB C 65 32.714 32.714 32.743 -0.029 18679 5712 1 16 . 1 1 65 65 LYS H H 65 8.637 8.637 8.613 0.024 18679 5713 1 17 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.471 0.455 18679 5714 1 17 . 1 1 2 2 GLU C C 2 173.979 173.979 175.021 -1.042 18679 5715 1 17 . 1 1 2 2 GLU CB C 2 26.849 26.849 31.947 -5.098 18679 5716 1 17 . 1 1 3 3 GLN N N 3 116.901 116.901 119.770 -2.869 18679 5717 1 17 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.660 0.490 18679 5718 1 17 . 1 1 3 3 GLN C C 3 175.962 175.962 175.848 0.114 18679 5719 1 17 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.985 -0.861 18679 5720 1 17 . 1 1 3 3 GLN CB C 3 31.938 31.938 29.796 2.142 18679 5721 1 17 . 1 1 3 3 GLN H H 3 8.202 8.202 8.471 -0.269 18679 5722 1 17 . 1 1 4 4 GLY N N 4 108.174 108.174 112.030 -3.856 18679 5723 1 17 . 1 1 4 4 GLY C C 4 172.109 172.109 172.724 -0.615 18679 5724 1 17 . 1 1 4 4 GLY CA C 4 45.614 45.614 43.951 1.663 18679 5725 1 17 . 1 1 4 4 GLY H H 4 8.629 8.629 9.063 -0.434 18679 5726 1 17 . 1 1 5 5 THR N N 5 114.528 114.528 118.318 -3.790 18679 5727 1 17 . 1 1 5 5 THR HA H 5 5.210 5.210 4.934 0.276 18679 5728 1 17 . 1 1 5 5 THR C C 5 173.994 173.994 174.831 -0.837 18679 5729 1 17 . 1 1 5 5 THR CA C 5 60.077 60.077 62.018 -1.941 18679 5730 1 17 . 1 1 5 5 THR CB C 5 71.635 71.635 69.872 1.763 18679 5731 1 17 . 1 1 5 5 THR H H 5 8.417 8.417 8.066 0.351 18679 5732 1 17 . 1 1 6 6 VAL N N 6 125.816 125.816 128.322 -2.506 18679 5733 1 17 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.820 -0.299 18679 5734 1 17 . 1 1 6 6 VAL C C 6 175.620 175.620 176.467 -0.847 18679 5735 1 17 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.486 1.582 18679 5736 1 17 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.672 0.960 18679 5737 1 17 . 1 1 6 6 VAL H H 6 8.908 8.908 9.011 -0.103 18679 5738 1 17 . 1 1 7 7 LYS N N 7 135.919 135.919 128.584 7.335 18679 5739 1 17 . 1 1 7 7 LYS HA H 7 4.214 4.214 3.887 0.327 18679 5740 1 17 . 1 1 7 7 LYS C C 7 175.913 175.913 176.048 -0.135 18679 5741 1 17 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.284 0.470 18679 5742 1 17 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.030 2.062 18679 5743 1 17 . 1 1 7 7 LYS H H 7 9.260 9.260 8.938 0.322 18679 5744 1 17 . 1 1 8 8 TRP N N 8 110.597 110.597 117.555 -6.958 18679 5745 1 17 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.981 -0.414 18679 5746 1 17 . 1 1 8 8 TRP C C 8 173.327 173.327 174.423 -1.096 18679 5747 1 17 . 1 1 8 8 TRP CA C 8 55.871 55.871 56.879 -1.008 18679 5748 1 17 . 1 1 8 8 TRP CB C 8 30.675 30.675 32.701 -2.026 18679 5749 1 17 . 1 1 8 8 TRP H H 8 7.372 7.372 7.775 -0.403 18679 5750 1 17 . 1 1 9 9 PHE N N 9 120.373 120.373 124.537 -4.164 18679 5751 1 17 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.745 -0.565 18679 5752 1 17 . 1 1 9 9 PHE C C 9 172.561 172.561 174.092 -1.531 18679 5753 1 17 . 1 1 9 9 PHE CA C 9 59.110 59.110 55.773 3.337 18679 5754 1 17 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.242 2.045 18679 5755 1 17 . 1 1 9 9 PHE H H 9 9.265 9.265 9.559 -0.294 18679 5756 1 17 . 1 1 10 10 ASN N N 10 127.710 127.710 128.147 -0.437 18679 5757 1 17 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.537 0.396 18679 5758 1 17 . 1 1 10 10 ASN C C 10 174.373 174.373 174.443 -0.070 18679 5759 1 17 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.677 -0.779 18679 5760 1 17 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.278 1.631 18679 5761 1 17 . 1 1 10 10 ASN H H 10 8.223 8.223 8.227 -0.004 18679 5762 1 17 . 1 1 11 11 ALA N N 11 129.186 129.186 125.627 3.559 18679 5763 1 17 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.342 0.961 18679 5764 1 17 . 1 1 11 11 ALA C C 11 176.087 176.087 178.682 -2.595 18679 5765 1 17 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.539 -0.730 18679 5766 1 17 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.700 0.001 18679 5767 1 17 . 1 1 11 11 ALA H H 11 9.119 9.119 7.360 1.759 18679 5768 1 17 . 1 1 12 12 GLU N N 12 116.366 116.366 117.121 -0.755 18679 5769 1 17 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.001 0.022 18679 5770 1 17 . 1 1 12 12 GLU C C 12 175.119 175.119 177.748 -2.629 18679 5771 1 17 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.516 -0.068 18679 5772 1 17 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.221 -0.065 18679 5773 1 17 . 1 1 12 12 GLU H H 12 8.082 8.082 8.360 -0.278 18679 5774 1 17 . 1 1 13 13 LYS N N 13 113.821 113.821 116.624 -2.803 18679 5775 1 17 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.184 0.128 18679 5776 1 17 . 1 1 13 13 LYS C C 13 177.130 177.130 177.211 -0.081 18679 5777 1 17 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.583 1.229 18679 5778 1 17 . 1 1 13 13 LYS CB C 13 34.614 34.614 32.723 1.891 18679 5779 1 17 . 1 1 13 13 LYS H H 13 7.273 7.273 7.177 0.096 18679 5780 1 17 . 1 1 14 14 GLY N N 14 105.929 105.929 107.661 -1.732 18679 5781 1 17 . 1 1 14 14 GLY C C 14 172.485 172.485 173.097 -0.612 18679 5782 1 17 . 1 1 14 14 GLY CA C 14 46.754 46.754 44.794 1.960 18679 5783 1 17 . 1 1 14 14 GLY H H 14 8.370 8.370 8.040 0.330 18679 5784 1 17 . 1 1 15 15 PHE N N 15 112.060 112.060 114.826 -2.766 18679 5785 1 17 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.286 -0.472 18679 5786 1 17 . 1 1 15 15 PHE C C 15 171.414 171.414 172.716 -1.302 18679 5787 1 17 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.300 -1.580 18679 5788 1 17 . 1 1 15 15 PHE CB C 15 42.723 42.723 40.386 2.337 18679 5789 1 17 . 1 1 15 15 PHE H H 15 6.572 6.572 7.098 -0.526 18679 5790 1 17 . 1 1 16 16 GLY N N 16 105.419 105.419 105.757 -0.338 18679 5791 1 17 . 1 1 16 16 GLY C C 16 173.812 173.812 171.529 2.283 18679 5792 1 17 . 1 1 16 16 GLY CA C 16 44.912 44.912 44.241 0.671 18679 5793 1 17 . 1 1 16 16 GLY H H 16 7.851 7.851 7.933 -0.082 18679 5794 1 17 . 1 1 17 17 PHE N N 17 115.154 115.154 118.164 -3.010 18679 5795 1 17 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.681 -0.673 18679 5796 1 17 . 1 1 17 17 PHE C C 17 174.568 174.568 174.999 -0.431 18679 5797 1 17 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.560 0.164 18679 5798 1 17 . 1 1 17 17 PHE CB C 17 45.189 45.189 43.142 2.047 18679 5799 1 17 . 1 1 17 17 PHE H H 17 7.800 7.800 8.457 -0.657 18679 5800 1 17 . 1 1 18 18 ILE N N 18 122.756 122.756 121.649 1.107 18679 5801 1 17 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.779 -0.718 18679 5802 1 17 . 1 1 18 18 ILE C C 18 174.459 174.459 174.590 -0.131 18679 5803 1 17 . 1 1 18 18 ILE CA C 18 60.156 60.156 59.662 0.494 18679 5804 1 17 . 1 1 18 18 ILE CB C 18 41.379 41.379 42.078 -0.699 18679 5805 1 17 . 1 1 18 18 ILE H H 18 9.337 9.337 8.936 0.401 18679 5806 1 17 . 1 1 19 19 GLU N N 19 126.777 126.777 123.595 3.182 18679 5807 1 17 . 1 1 19 19 GLU HA H 19 4.915 4.915 5.009 -0.094 18679 5808 1 17 . 1 1 19 19 GLU C C 19 175.169 175.169 175.294 -0.125 18679 5809 1 17 . 1 1 19 19 GLU CA C 19 54.980 54.980 54.749 0.231 18679 5810 1 17 . 1 1 19 19 GLU CB C 19 32.204 32.204 31.576 0.628 18679 5811 1 17 . 1 1 19 19 GLU H H 19 9.294 9.294 8.849 0.445 18679 5812 1 17 . 1 1 20 20 ARG N N 20 123.573 123.573 126.440 -2.867 18679 5813 1 17 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.804 -0.784 18679 5814 1 17 . 1 1 20 20 ARG C C 20 176.345 176.345 177.501 -1.156 18679 5815 1 17 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.789 0.616 18679 5816 1 17 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.729 0.901 18679 5817 1 17 . 1 1 20 20 ARG H H 20 9.290 9.290 8.864 0.426 18679 5818 1 17 . 1 1 21 21 GLU N N 21 121.542 121.542 123.433 -1.891 18679 5819 1 17 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.060 0.040 18679 5820 1 17 . 1 1 21 21 GLU C C 21 177.265 177.265 176.878 0.387 18679 5821 1 17 . 1 1 21 21 GLU CA C 21 58.795 58.795 58.870 -0.075 18679 5822 1 17 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.745 0.163 18679 5823 1 17 . 1 1 21 21 GLU H H 21 9.066 9.066 8.985 0.081 18679 5824 1 17 . 1 1 22 22 ASN N N 22 115.336 115.336 117.690 -2.354 18679 5825 1 17 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.829 -0.081 18679 5826 1 17 . 1 1 22 22 ASN C C 22 174.806 174.806 173.668 1.138 18679 5827 1 17 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.821 0.308 18679 5828 1 17 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.791 0.229 18679 5829 1 17 . 1 1 22 22 ASN H H 22 8.257 8.257 8.038 0.219 18679 5830 1 17 . 1 1 23 23 GLY N N 23 107.564 107.564 109.074 -1.510 18679 5831 1 17 . 1 1 23 23 GLY C C 23 172.948 172.948 173.215 -0.267 18679 5832 1 17 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.684 -0.989 18679 5833 1 17 . 1 1 23 23 GLY H H 23 7.866 7.866 7.891 -0.025 18679 5834 1 17 . 1 1 24 24 ASP N N 24 120.038 120.038 121.254 -1.216 18679 5835 1 17 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.476 0.152 18679 5836 1 17 . 1 1 24 24 ASP C C 24 175.559 175.559 175.791 -0.232 18679 5837 1 17 . 1 1 24 24 ASP CA C 24 54.453 54.453 54.812 -0.359 18679 5838 1 17 . 1 1 24 24 ASP CB C 24 41.544 41.544 41.281 0.263 18679 5839 1 17 . 1 1 24 24 ASP H H 24 8.370 8.370 8.624 -0.254 18679 5840 1 17 . 1 1 25 25 ASP N N 25 120.666 120.666 117.016 3.650 18679 5841 1 17 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.764 0.157 18679 5842 1 17 . 1 1 25 25 ASP C C 25 176.258 176.258 174.879 1.379 18679 5843 1 17 . 1 1 25 25 ASP CA C 25 54.973 54.973 52.510 2.463 18679 5844 1 17 . 1 1 25 25 ASP CB C 25 42.488 42.488 41.083 1.405 18679 5845 1 17 . 1 1 25 25 ASP H H 25 8.698 8.698 7.646 1.052 18679 5846 1 17 . 1 1 26 26 VAL N N 26 120.541 120.541 122.058 -1.517 18679 5847 1 17 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.297 0.049 18679 5848 1 17 . 1 1 26 26 VAL C C 26 174.724 174.724 174.703 0.021 18679 5849 1 17 . 1 1 26 26 VAL CA C 26 60.847 60.847 61.650 -0.803 18679 5850 1 17 . 1 1 26 26 VAL CB C 26 34.500 34.500 33.172 1.328 18679 5851 1 17 . 1 1 26 26 VAL H H 26 9.365 9.365 9.049 0.316 18679 5852 1 17 . 1 1 27 27 PHE N N 27 130.752 130.752 129.727 1.025 18679 5853 1 17 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.745 -1.215 18679 5854 1 17 . 1 1 27 27 PHE C C 27 172.517 172.517 174.230 -1.713 18679 5855 1 17 . 1 1 27 27 PHE CA C 27 58.978 58.978 57.205 1.773 18679 5856 1 17 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.297 -0.363 18679 5857 1 17 . 1 1 27 27 PHE H H 27 8.335 8.335 8.273 0.062 18679 5858 1 17 . 1 1 28 28 VAL N N 28 124.530 124.530 127.812 -3.282 18679 5859 1 17 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.339 0.054 18679 5860 1 17 . 1 1 28 28 VAL C C 28 170.556 170.556 174.036 -3.480 18679 5861 1 17 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.666 -1.960 18679 5862 1 17 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.817 -0.220 18679 5863 1 17 . 1 1 28 28 VAL H H 28 7.411 7.411 8.301 -0.890 18679 5864 1 17 . 1 1 29 29 HIS N N 29 127.448 127.448 127.760 -0.312 18679 5865 1 17 . 1 1 29 29 HIS HA H 29 4.559 4.559 4.911 -0.352 18679 5866 1 17 . 1 1 29 29 HIS C C 29 177.582 177.582 176.536 1.046 18679 5867 1 17 . 1 1 29 29 HIS CA C 29 55.739 55.739 55.719 0.020 18679 5868 1 17 . 1 1 29 29 HIS CB C 29 33.542 33.542 30.776 2.767 18679 5869 1 17 . 1 1 29 29 HIS H H 29 8.561 8.561 8.188 0.373 18679 5870 1 17 . 1 1 30 30 PHE N N 30 122.691 122.691 125.559 -2.868 18679 5871 1 17 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.447 -0.585 18679 5872 1 17 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.140 -0.150 18679 5873 1 17 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.823 -2.343 18679 5874 1 17 . 1 1 30 30 PHE H H 30 7.970 7.970 8.208 -0.238 18679 5875 1 17 . 1 1 31 31 SER N N 31 118.356 118.356 113.182 5.174 18679 5876 1 17 . 1 1 31 31 SER HA H 31 3.858 3.858 3.965 -0.107 18679 5877 1 17 . 1 1 31 31 SER C C 31 175.382 175.382 175.086 0.296 18679 5878 1 17 . 1 1 31 31 SER CA C 31 59.761 59.761 57.845 1.916 18679 5879 1 17 . 1 1 31 31 SER CB C 31 62.630 62.630 62.815 -0.185 18679 5880 1 17 . 1 1 31 31 SER H H 31 7.623 7.623 7.955 -0.332 18679 5881 1 17 . 1 1 32 32 ALA N N 32 124.536 124.536 123.387 1.149 18679 5882 1 17 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.283 0.122 18679 5883 1 17 . 1 1 32 32 ALA C C 32 177.706 177.706 177.641 0.065 18679 5884 1 17 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.607 -0.223 18679 5885 1 17 . 1 1 32 32 ALA CB C 32 21.173 21.173 19.503 1.670 18679 5886 1 17 . 1 1 32 32 ALA H H 32 7.902 7.902 7.392 0.510 18679 5887 1 17 . 1 1 33 33 ILE N N 33 121.051 121.051 119.326 1.725 18679 5888 1 17 . 1 1 33 33 ILE HA H 33 3.841 3.841 4.261 -0.420 18679 5889 1 17 . 1 1 33 33 ILE C C 33 175.517 175.517 176.550 -1.033 18679 5890 1 17 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.093 1.159 18679 5891 1 17 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.563 -0.579 18679 5892 1 17 . 1 1 33 33 ILE H H 33 7.595 7.595 7.615 -0.020 18679 5893 1 17 . 1 1 34 34 GLN N N 34 126.803 126.803 126.129 0.674 18679 5894 1 17 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.365 -0.110 18679 5895 1 17 . 1 1 34 34 GLN C C 34 176.167 176.167 175.597 0.570 18679 5896 1 17 . 1 1 34 34 GLN CA C 34 55.872 55.872 54.247 1.625 18679 5897 1 17 . 1 1 34 34 GLN CB C 34 29.510 29.510 25.675 3.835 18679 5898 1 17 . 1 1 34 34 GLN H H 34 8.714 8.714 8.486 0.228 18679 5899 1 17 . 1 1 35 35 GLY N N 35 110.928 110.928 109.104 1.824 18679 5900 1 17 . 1 1 35 35 GLY C C 35 172.763 172.763 173.731 -0.968 18679 5901 1 17 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.463 0.375 18679 5902 1 17 . 1 1 35 35 GLY H H 35 8.411 8.411 7.845 0.566 18679 5903 1 17 . 1 1 36 36 ASP N N 36 119.994 119.994 124.896 -4.902 18679 5904 1 17 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.541 0.258 18679 5905 1 17 . 1 1 36 36 ASP C C 36 176.584 176.584 177.318 -0.734 18679 5906 1 17 . 1 1 36 36 ASP CA C 36 53.957 53.957 54.926 -0.969 18679 5907 1 17 . 1 1 36 36 ASP CB C 36 42.297 42.297 39.916 2.381 18679 5908 1 17 . 1 1 36 36 ASP H H 36 8.319 8.319 8.395 -0.076 18679 5909 1 17 . 1 1 37 37 GLY N N 37 108.688 108.688 112.490 -3.802 18679 5910 1 17 . 1 1 37 37 GLY C C 37 176.528 176.528 174.128 2.400 18679 5911 1 17 . 1 1 37 37 GLY CA C 37 44.676 44.676 46.221 -1.545 18679 5912 1 17 . 1 1 37 37 GLY H H 37 8.390 8.390 8.321 0.069 18679 5913 1 17 . 1 1 38 38 PHE N N 38 122.793 122.793 121.938 0.855 18679 5914 1 17 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.811 -0.044 18679 5915 1 17 . 1 1 38 38 PHE C C 38 175.402 175.402 173.813 1.589 18679 5916 1 17 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.979 2.013 18679 5917 1 17 . 1 1 38 38 PHE CB C 38 39.043 39.043 40.391 -1.348 18679 5918 1 17 . 1 1 38 38 PHE H H 38 8.423 8.423 8.076 0.347 18679 5919 1 17 . 1 1 39 39 LYS N N 39 123.349 123.349 127.976 -4.627 18679 5920 1 17 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.571 -0.238 18679 5921 1 17 . 1 1 39 39 LYS C C 39 169.990 169.990 175.464 -5.474 18679 5922 1 17 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.563 -0.085 18679 5923 1 17 . 1 1 39 39 LYS CB C 39 32.335 32.335 33.205 -0.870 18679 5924 1 17 . 1 1 39 39 LYS H H 39 8.592 8.592 8.254 0.338 18679 5925 1 17 . 1 1 40 40 SER N N 40 113.941 113.941 121.370 -7.429 18679 5926 1 17 . 1 1 40 40 SER HA H 40 3.673 3.673 4.568 -0.895 18679 5927 1 17 . 1 1 40 40 SER CA C 40 57.015 57.015 57.739 -0.724 18679 5928 1 17 . 1 1 40 40 SER CB C 40 64.589 64.589 63.801 0.788 18679 5929 1 17 . 1 1 40 40 SER H H 40 7.444 7.444 8.702 -1.258 18679 5930 1 17 . 1 1 41 41 LEU N N 41 117.107 117.107 127.380 -10.273 18679 5931 1 17 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.072 0.322 18679 5932 1 17 . 1 1 41 41 LEU C C 41 173.917 173.917 176.504 -2.587 18679 5933 1 17 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.827 -1.413 18679 5934 1 17 . 1 1 41 41 LEU CB C 41 46.815 46.815 40.830 5.985 18679 5935 1 17 . 1 1 41 41 LEU H H 41 5.598 5.598 7.986 -2.388 18679 5936 1 17 . 1 1 42 42 ASP N N 42 118.896 118.896 124.494 -5.598 18679 5937 1 17 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.442 0.452 18679 5938 1 17 . 1 1 42 42 ASP C C 42 175.559 175.559 175.907 -0.348 18679 5939 1 17 . 1 1 42 42 ASP CA C 42 52.777 52.777 54.276 -1.499 18679 5940 1 17 . 1 1 42 42 ASP CB C 42 42.970 42.970 42.687 0.284 18679 5941 1 17 . 1 1 42 42 ASP H H 42 8.156 8.156 8.106 0.050 18679 5942 1 17 . 1 1 43 43 GLU N N 43 121.023 121.023 125.135 -4.112 18679 5943 1 17 . 1 1 43 43 GLU HA H 43 3.518 3.518 3.915 -0.397 18679 5944 1 17 . 1 1 43 43 GLU C C 43 177.211 177.211 177.123 0.088 18679 5945 1 17 . 1 1 43 43 GLU CA C 43 58.444 58.444 58.425 0.019 18679 5946 1 17 . 1 1 43 43 GLU CB C 43 29.531 29.531 28.884 0.647 18679 5947 1 17 . 1 1 43 43 GLU H H 43 8.689 8.689 8.721 -0.032 18679 5948 1 17 . 1 1 44 44 GLY N N 44 113.916 113.916 113.281 0.635 18679 5949 1 17 . 1 1 44 44 GLY C C 44 173.870 173.870 174.081 -0.211 18679 5950 1 17 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.736 0.458 18679 5951 1 17 . 1 1 44 44 GLY H H 44 8.971 8.971 8.798 0.173 18679 5952 1 17 . 1 1 45 45 GLN N N 45 120.533 120.533 120.244 0.289 18679 5953 1 17 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.357 -0.180 18679 5954 1 17 . 1 1 45 45 GLN C C 45 175.454 175.454 174.645 0.809 18679 5955 1 17 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.793 1.312 18679 5956 1 17 . 1 1 45 45 GLN CB C 45 30.398 30.398 30.368 0.030 18679 5957 1 17 . 1 1 45 45 GLN H H 45 7.634 7.634 7.740 -0.106 18679 5958 1 17 . 1 1 46 46 ALA N N 46 130.118 130.118 126.798 3.320 18679 5959 1 17 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.357 -0.424 18679 5960 1 17 . 1 1 46 46 ALA C C 46 178.148 178.148 176.229 1.919 18679 5961 1 17 . 1 1 46 46 ALA CA C 46 52.206 52.206 50.501 1.705 18679 5962 1 17 . 1 1 46 46 ALA CB C 46 18.983 18.983 20.218 -1.235 18679 5963 1 17 . 1 1 46 46 ALA H H 46 8.894 8.894 8.582 0.312 18679 5964 1 17 . 1 1 47 47 VAL N N 47 114.581 114.581 115.452 -0.871 18679 5965 1 17 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.758 0.650 18679 5966 1 17 . 1 1 47 47 VAL C C 47 175.654 175.654 174.829 0.825 18679 5967 1 17 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.489 -0.616 18679 5968 1 17 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.834 1.295 18679 5969 1 17 . 1 1 47 47 VAL H H 47 8.591 8.591 9.154 -0.563 18679 5970 1 17 . 1 1 48 48 THR N N 48 113.346 113.346 115.739 -2.393 18679 5971 1 17 . 1 1 48 48 THR HA H 48 5.398 5.398 5.091 0.307 18679 5972 1 17 . 1 1 48 48 THR C C 48 177.527 177.527 174.528 2.999 18679 5973 1 17 . 1 1 48 48 THR CA C 48 60.253 60.253 60.025 0.228 18679 5974 1 17 . 1 1 48 48 THR CB C 48 71.323 71.323 68.879 2.445 18679 5975 1 17 . 1 1 48 48 THR H H 48 8.943 8.943 8.250 0.693 18679 5976 1 17 . 1 1 49 49 PHE N N 49 116.531 116.531 123.488 -6.957 18679 5977 1 17 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.580 -0.577 18679 5978 1 17 . 1 1 49 49 PHE C C 49 171.900 171.900 173.455 -1.555 18679 5979 1 17 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.852 1.737 18679 5980 1 17 . 1 1 49 49 PHE CB C 49 39.741 39.741 41.698 -1.957 18679 5981 1 17 . 1 1 49 49 PHE H H 49 8.214 8.214 8.013 0.201 18679 5982 1 17 . 1 1 50 50 ASP N N 50 118.134 118.134 119.284 -1.150 18679 5983 1 17 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.194 -0.027 18679 5984 1 17 . 1 1 50 50 ASP C C 50 175.559 175.559 175.207 0.352 18679 5985 1 17 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.161 1.810 18679 5986 1 17 . 1 1 50 50 ASP CB C 50 43.986 43.986 44.696 -0.710 18679 5987 1 17 . 1 1 50 50 ASP H H 50 8.862 8.862 8.448 0.414 18679 5988 1 17 . 1 1 51 51 VAL N N 51 120.815 120.815 121.051 -0.236 18679 5989 1 17 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.356 0.414 18679 5990 1 17 . 1 1 51 51 VAL C C 51 175.378 175.378 174.763 0.615 18679 5991 1 17 . 1 1 51 51 VAL CA C 51 62.046 62.046 61.670 0.376 18679 5992 1 17 . 1 1 51 51 VAL CB C 51 33.854 33.854 33.170 0.684 18679 5993 1 17 . 1 1 51 51 VAL H H 51 8.700 8.700 8.585 0.115 18679 5994 1 17 . 1 1 52 52 GLU N N 52 127.575 127.575 129.191 -1.616 18679 5995 1 17 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.643 0.137 18679 5996 1 17 . 1 1 52 52 GLU C C 52 175.436 175.436 175.463 -0.027 18679 5997 1 17 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.419 -0.286 18679 5998 1 17 . 1 1 52 52 GLU CB C 52 32.295 32.295 31.952 0.343 18679 5999 1 17 . 1 1 52 52 GLU H H 52 9.062 9.062 9.078 -0.016 18679 6000 1 17 . 1 1 53 53 GLU N N 53 124.119 124.119 125.242 -1.123 18679 6001 1 17 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.129 0.131 18679 6002 1 17 . 1 1 53 53 GLU C C 53 176.436 176.436 176.267 0.169 18679 6003 1 17 . 1 1 53 53 GLU CA C 53 56.417 56.417 56.965 -0.548 18679 6004 1 17 . 1 1 53 53 GLU CB C 53 29.392 29.392 30.836 -1.444 18679 6005 1 17 . 1 1 53 53 GLU H H 53 8.808 8.808 8.838 -0.030 18679 6006 1 17 . 1 1 54 54 GLY N N 54 113.794 113.794 111.255 2.539 18679 6007 1 17 . 1 1 54 54 GLY C C 54 175.559 175.559 173.027 2.532 18679 6008 1 17 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.577 -0.050 18679 6009 1 17 . 1 1 54 54 GLY H H 54 7.822 7.822 8.274 -0.452 18679 6010 1 17 . 1 1 55 55 GLN N N 55 121.059 121.059 118.908 2.151 18679 6011 1 17 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.299 0.458 18679 6012 1 17 . 1 1 55 55 GLN C C 55 177.419 177.419 176.924 0.495 18679 6013 1 17 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.581 1.043 18679 6014 1 17 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.828 0.405 18679 6015 1 17 . 1 1 55 55 GLN H H 55 8.685 8.685 8.467 0.218 18679 6016 1 17 . 1 1 56 56 ARG N N 56 116.444 116.444 118.337 -1.893 18679 6017 1 17 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.605 -0.179 18679 6018 1 17 . 1 1 56 56 ARG C C 56 175.110 175.110 175.358 -0.248 18679 6019 1 17 . 1 1 56 56 ARG CA C 56 54.836 54.836 56.033 -1.197 18679 6020 1 17 . 1 1 56 56 ARG CB C 56 30.092 30.092 30.768 -0.676 18679 6021 1 17 . 1 1 56 56 ARG H H 56 8.491 8.491 8.333 0.158 18679 6022 1 17 . 1 1 57 57 GLY N N 57 107.667 107.667 107.856 -0.189 18679 6023 1 17 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.724 -0.523 18679 6024 1 17 . 1 1 57 57 GLY H H 57 7.316 7.316 7.773 -0.457 18679 6025 1 17 . 1 1 58 58 PRO HA H 58 4.810 4.810 5.004 -0.194 18679 6026 1 17 . 1 1 58 58 PRO C C 58 176.345 176.345 175.544 0.801 18679 6027 1 17 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.149 0.969 18679 6028 1 17 . 1 1 58 58 PRO CB C 58 32.517 32.517 31.931 0.586 18679 6029 1 17 . 1 1 59 59 GLN N N 59 121.136 121.136 123.516 -2.380 18679 6030 1 17 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.231 -0.071 18679 6031 1 17 . 1 1 59 59 GLN C C 59 173.910 173.910 175.346 -1.436 18679 6032 1 17 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.449 0.835 18679 6033 1 17 . 1 1 59 59 GLN CB C 59 32.688 32.688 30.530 2.158 18679 6034 1 17 . 1 1 59 59 GLN H H 59 9.086 9.086 8.875 0.211 18679 6035 1 17 . 1 1 60 60 ALA N N 60 123.241 123.241 127.356 -4.115 18679 6036 1 17 . 1 1 60 60 ALA HA H 60 4.878 4.878 5.112 -0.234 18679 6037 1 17 . 1 1 60 60 ALA C C 60 176.210 176.210 175.921 0.289 18679 6038 1 17 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.467 -0.251 18679 6039 1 17 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.357 0.914 18679 6040 1 17 . 1 1 60 60 ALA H H 60 8.796 8.796 8.954 -0.158 18679 6041 1 17 . 1 1 61 61 ALA N N 61 123.741 123.741 127.586 -3.845 18679 6042 1 17 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.658 0.012 18679 6043 1 17 . 1 1 61 61 ALA C C 61 175.840 175.840 176.028 -0.188 18679 6044 1 17 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.407 0.461 18679 6045 1 17 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.412 0.651 18679 6046 1 17 . 1 1 61 61 ALA H H 61 9.165 9.165 8.542 0.623 18679 6047 1 17 . 1 1 62 62 ASN N N 62 118.727 118.727 116.279 2.448 18679 6048 1 17 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.377 -0.127 18679 6049 1 17 . 1 1 62 62 ASN C C 62 178.093 178.093 174.071 4.022 18679 6050 1 17 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.029 -0.062 18679 6051 1 17 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.594 0.635 18679 6052 1 17 . 1 1 62 62 ASN H H 62 9.288 9.288 8.759 0.529 18679 6053 1 17 . 1 1 63 63 VAL N N 63 116.869 116.869 122.095 -5.226 18679 6054 1 17 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.610 -0.227 18679 6055 1 17 . 1 1 63 63 VAL C C 63 175.378 175.378 175.391 -0.013 18679 6056 1 17 . 1 1 63 63 VAL CA C 63 63.116 63.116 62.054 1.062 18679 6057 1 17 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.952 -0.443 18679 6058 1 17 . 1 1 63 63 VAL H H 63 8.129 8.129 7.987 0.142 18679 6059 1 17 . 1 1 64 64 GLN N N 64 127.534 127.534 127.154 0.380 18679 6060 1 17 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.758 0.019 18679 6061 1 17 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.744 0.389 18679 6062 1 17 . 1 1 64 64 GLN CB C 64 32.174 32.174 31.003 1.171 18679 6063 1 17 . 1 1 64 64 GLN H H 64 9.104 9.104 9.035 0.069 18679 6064 1 17 . 1 1 65 65 LYS N N 65 122.593 122.593 119.738 2.855 18679 6065 1 17 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.350 -0.055 18679 6066 1 17 . 1 1 65 65 LYS C C 65 175.520 175.520 175.556 -0.036 18679 6067 1 17 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.325 1.435 18679 6068 1 17 . 1 1 65 65 LYS CB C 65 32.714 32.714 33.394 -0.680 18679 6069 1 17 . 1 1 65 65 LYS H H 65 8.637 8.637 8.553 0.084 18679 6070 1 18 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.155 0.771 18679 6071 1 18 . 1 1 2 2 GLU C C 2 173.979 173.979 175.432 -1.453 18679 6072 1 18 . 1 1 2 2 GLU CB C 2 26.849 26.849 29.675 -2.826 18679 6073 1 18 . 1 1 3 3 GLN N N 3 116.901 116.901 121.065 -4.164 18679 6074 1 18 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.819 0.331 18679 6075 1 18 . 1 1 3 3 GLN C C 3 175.962 175.962 176.142 -0.180 18679 6076 1 18 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.521 -0.397 18679 6077 1 18 . 1 1 3 3 GLN CB C 3 31.938 31.938 29.746 2.192 18679 6078 1 18 . 1 1 3 3 GLN H H 3 8.202 8.202 8.299 -0.097 18679 6079 1 18 . 1 1 4 4 GLY N N 4 108.174 108.174 111.568 -3.394 18679 6080 1 18 . 1 1 4 4 GLY C C 4 172.109 172.109 172.802 -0.693 18679 6081 1 18 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.518 1.096 18679 6082 1 18 . 1 1 4 4 GLY H H 4 8.629 8.629 9.081 -0.452 18679 6083 1 18 . 1 1 5 5 THR N N 5 114.528 114.528 115.165 -0.637 18679 6084 1 18 . 1 1 5 5 THR HA H 5 5.210 5.210 5.215 -0.005 18679 6085 1 18 . 1 1 5 5 THR C C 5 173.994 173.994 175.155 -1.161 18679 6086 1 18 . 1 1 5 5 THR CA C 5 60.077 60.077 60.148 -0.071 18679 6087 1 18 . 1 1 5 5 THR CB C 5 71.635 71.635 69.850 1.785 18679 6088 1 18 . 1 1 5 5 THR H H 5 8.417 8.417 8.123 0.294 18679 6089 1 18 . 1 1 6 6 VAL N N 6 125.816 125.816 125.888 -0.072 18679 6090 1 18 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.851 -0.330 18679 6091 1 18 . 1 1 6 6 VAL C C 6 175.620 175.620 176.150 -0.530 18679 6092 1 18 . 1 1 6 6 VAL CA C 6 65.068 65.068 64.097 0.971 18679 6093 1 18 . 1 1 6 6 VAL CB C 6 31.632 31.632 31.196 0.436 18679 6094 1 18 . 1 1 6 6 VAL H H 6 8.908 8.908 8.680 0.228 18679 6095 1 18 . 1 1 7 7 LYS N N 7 135.919 135.919 128.469 7.450 18679 6096 1 18 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.174 0.040 18679 6097 1 18 . 1 1 7 7 LYS C C 7 175.913 175.913 176.486 -0.573 18679 6098 1 18 . 1 1 7 7 LYS CA C 7 58.754 58.754 57.821 0.933 18679 6099 1 18 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.752 1.340 18679 6100 1 18 . 1 1 7 7 LYS H H 7 9.260 9.260 8.232 1.028 18679 6101 1 18 . 1 1 8 8 TRP N N 8 110.597 110.597 119.163 -8.566 18679 6102 1 18 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.801 -0.234 18679 6103 1 18 . 1 1 8 8 TRP C C 8 173.327 173.327 174.561 -1.234 18679 6104 1 18 . 1 1 8 8 TRP CA C 8 55.871 55.871 56.572 -0.701 18679 6105 1 18 . 1 1 8 8 TRP CB C 8 30.675 30.675 32.580 -1.905 18679 6106 1 18 . 1 1 8 8 TRP H H 8 7.372 7.372 8.434 -1.062 18679 6107 1 18 . 1 1 9 9 PHE N N 9 120.373 120.373 122.913 -2.540 18679 6108 1 18 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.790 -0.610 18679 6109 1 18 . 1 1 9 9 PHE C C 9 172.561 172.561 174.133 -1.572 18679 6110 1 18 . 1 1 9 9 PHE CA C 9 59.110 59.110 57.224 1.886 18679 6111 1 18 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.922 1.365 18679 6112 1 18 . 1 1 9 9 PHE H H 9 9.265 9.265 8.998 0.267 18679 6113 1 18 . 1 1 10 10 ASN N N 10 127.710 127.710 127.097 0.613 18679 6114 1 18 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.784 0.149 18679 6115 1 18 . 1 1 10 10 ASN C C 10 174.373 174.373 174.892 -0.519 18679 6116 1 18 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.147 -0.249 18679 6117 1 18 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.284 1.625 18679 6118 1 18 . 1 1 10 10 ASN H H 10 8.223 8.223 8.407 -0.184 18679 6119 1 18 . 1 1 11 11 ALA N N 11 129.186 129.186 126.170 3.016 18679 6120 1 18 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.559 0.744 18679 6121 1 18 . 1 1 11 11 ALA C C 11 176.087 176.087 178.548 -2.461 18679 6122 1 18 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.862 -1.053 18679 6123 1 18 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.924 -0.223 18679 6124 1 18 . 1 1 11 11 ALA H H 11 9.119 9.119 7.614 1.505 18679 6125 1 18 . 1 1 12 12 GLU N N 12 116.366 116.366 116.867 -0.501 18679 6126 1 18 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.034 -0.011 18679 6127 1 18 . 1 1 12 12 GLU C C 12 175.119 175.119 177.674 -2.555 18679 6128 1 18 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.329 0.119 18679 6129 1 18 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.208 -0.052 18679 6130 1 18 . 1 1 12 12 GLU H H 12 8.082 8.082 8.441 -0.359 18679 6131 1 18 . 1 1 13 13 LYS N N 13 113.821 113.821 117.201 -3.380 18679 6132 1 18 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.275 0.037 18679 6133 1 18 . 1 1 13 13 LYS C C 13 177.130 177.130 177.222 -0.092 18679 6134 1 18 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.830 0.982 18679 6135 1 18 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.249 1.365 18679 6136 1 18 . 1 1 13 13 LYS H H 13 7.273 7.273 7.386 -0.113 18679 6137 1 18 . 1 1 14 14 GLY N N 14 105.929 105.929 107.093 -1.164 18679 6138 1 18 . 1 1 14 14 GLY C C 14 172.485 172.485 172.575 -0.090 18679 6139 1 18 . 1 1 14 14 GLY CA C 14 46.754 46.754 44.910 1.844 18679 6140 1 18 . 1 1 14 14 GLY H H 14 8.370 8.370 8.017 0.353 18679 6141 1 18 . 1 1 15 15 PHE N N 15 112.060 112.060 117.885 -5.825 18679 6142 1 18 . 1 1 15 15 PHE HA H 15 4.814 4.814 4.968 -0.154 18679 6143 1 18 . 1 1 15 15 PHE C C 15 171.414 171.414 173.646 -2.232 18679 6144 1 18 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.666 -1.946 18679 6145 1 18 . 1 1 15 15 PHE CB C 15 42.723 42.723 42.167 0.556 18679 6146 1 18 . 1 1 15 15 PHE H H 15 6.572 6.572 7.214 -0.642 18679 6147 1 18 . 1 1 16 16 GLY N N 16 105.419 105.419 107.370 -1.951 18679 6148 1 18 . 1 1 16 16 GLY C C 16 173.812 173.812 171.795 2.017 18679 6149 1 18 . 1 1 16 16 GLY CA C 16 44.912 44.912 43.348 1.564 18679 6150 1 18 . 1 1 16 16 GLY H H 16 7.851 7.851 8.150 -0.299 18679 6151 1 18 . 1 1 17 17 PHE N N 17 115.154 115.154 118.372 -3.218 18679 6152 1 18 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.767 -0.759 18679 6153 1 18 . 1 1 17 17 PHE C C 17 174.568 174.568 175.141 -0.573 18679 6154 1 18 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.272 0.452 18679 6155 1 18 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.284 2.905 18679 6156 1 18 . 1 1 17 17 PHE H H 17 7.800 7.800 9.120 -1.320 18679 6157 1 18 . 1 1 18 18 ILE N N 18 122.756 122.756 123.259 -0.503 18679 6158 1 18 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.618 -0.557 18679 6159 1 18 . 1 1 18 18 ILE C C 18 174.459 174.459 175.231 -0.772 18679 6160 1 18 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.188 -0.032 18679 6161 1 18 . 1 1 18 18 ILE CB C 18 41.379 41.379 41.198 0.181 18679 6162 1 18 . 1 1 18 18 ILE H H 18 9.337 9.337 9.016 0.321 18679 6163 1 18 . 1 1 19 19 GLU N N 19 126.777 126.777 125.265 1.512 18679 6164 1 18 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.915 0.000 18679 6165 1 18 . 1 1 19 19 GLU C C 19 175.169 175.169 175.267 -0.098 18679 6166 1 18 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.250 -0.270 18679 6167 1 18 . 1 1 19 19 GLU CB C 19 32.204 32.204 29.544 2.660 18679 6168 1 18 . 1 1 19 19 GLU H H 19 9.294 9.294 8.667 0.627 18679 6169 1 18 . 1 1 20 20 ARG N N 20 123.573 123.573 126.770 -3.197 18679 6170 1 18 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.710 -0.690 18679 6171 1 18 . 1 1 20 20 ARG C C 20 176.345 176.345 177.507 -1.162 18679 6172 1 18 . 1 1 20 20 ARG CA C 20 55.406 55.406 55.133 0.273 18679 6173 1 18 . 1 1 20 20 ARG CB C 20 33.630 33.630 33.221 0.409 18679 6174 1 18 . 1 1 20 20 ARG H H 20 9.290 9.290 8.750 0.540 18679 6175 1 18 . 1 1 21 21 GLU N N 21 121.542 121.542 125.514 -3.972 18679 6176 1 18 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.089 0.011 18679 6177 1 18 . 1 1 21 21 GLU C C 21 177.265 177.265 176.765 0.500 18679 6178 1 18 . 1 1 21 21 GLU CA C 21 58.795 58.795 58.784 0.011 18679 6179 1 18 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.400 0.508 18679 6180 1 18 . 1 1 21 21 GLU H H 21 9.066 9.066 9.029 0.037 18679 6181 1 18 . 1 1 22 22 ASN N N 22 115.336 115.336 118.388 -3.052 18679 6182 1 18 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.788 -0.040 18679 6183 1 18 . 1 1 22 22 ASN C C 22 174.806 174.806 174.067 0.739 18679 6184 1 18 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.911 0.218 18679 6185 1 18 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.792 0.228 18679 6186 1 18 . 1 1 22 22 ASN H H 22 8.257 8.257 8.191 0.066 18679 6187 1 18 . 1 1 23 23 GLY N N 23 107.564 107.564 108.050 -0.486 18679 6188 1 18 . 1 1 23 23 GLY C C 23 172.948 172.948 173.341 -0.393 18679 6189 1 18 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.612 -0.916 18679 6190 1 18 . 1 1 23 23 GLY H H 23 7.866 7.866 7.868 -0.002 18679 6191 1 18 . 1 1 24 24 ASP N N 24 120.038 120.038 121.759 -1.721 18679 6192 1 18 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.437 0.191 18679 6193 1 18 . 1 1 24 24 ASP C C 24 175.559 175.559 175.746 -0.187 18679 6194 1 18 . 1 1 24 24 ASP CA C 24 54.453 54.453 55.350 -0.897 18679 6195 1 18 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.978 0.566 18679 6196 1 18 . 1 1 24 24 ASP H H 24 8.370 8.370 8.667 -0.297 18679 6197 1 18 . 1 1 25 25 ASP N N 25 120.666 120.666 118.368 2.298 18679 6198 1 18 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.796 0.125 18679 6199 1 18 . 1 1 25 25 ASP C C 25 176.258 176.258 174.987 1.271 18679 6200 1 18 . 1 1 25 25 ASP CA C 25 54.973 54.973 53.705 1.268 18679 6201 1 18 . 1 1 25 25 ASP CB C 25 42.488 42.488 41.493 0.995 18679 6202 1 18 . 1 1 25 25 ASP H H 25 8.698 8.698 7.726 0.972 18679 6203 1 18 . 1 1 26 26 VAL N N 26 120.541 120.541 123.482 -2.941 18679 6204 1 18 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.491 -0.145 18679 6205 1 18 . 1 1 26 26 VAL C C 26 174.724 174.724 174.847 -0.123 18679 6206 1 18 . 1 1 26 26 VAL CA C 26 60.847 60.847 61.504 -0.657 18679 6207 1 18 . 1 1 26 26 VAL CB C 26 34.500 34.500 33.459 1.041 18679 6208 1 18 . 1 1 26 26 VAL H H 26 9.365 9.365 8.906 0.459 18679 6209 1 18 . 1 1 27 27 PHE N N 27 130.752 130.752 130.386 0.366 18679 6210 1 18 . 1 1 27 27 PHE HA H 27 3.530 3.530 5.018 -1.488 18679 6211 1 18 . 1 1 27 27 PHE C C 27 172.517 172.517 174.062 -1.545 18679 6212 1 18 . 1 1 27 27 PHE CA C 27 58.978 58.978 56.889 2.089 18679 6213 1 18 . 1 1 27 27 PHE CB C 27 39.934 39.934 39.987 -0.054 18679 6214 1 18 . 1 1 27 27 PHE H H 27 8.335 8.335 9.357 -1.022 18679 6215 1 18 . 1 1 28 28 VAL N N 28 124.530 124.530 126.981 -2.451 18679 6216 1 18 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.477 -0.084 18679 6217 1 18 . 1 1 28 28 VAL C C 28 170.556 170.556 174.332 -3.776 18679 6218 1 18 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.703 -1.997 18679 6219 1 18 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.522 0.075 18679 6220 1 18 . 1 1 28 28 VAL H H 28 7.411 7.411 8.474 -1.063 18679 6221 1 18 . 1 1 29 29 HIS N N 29 127.448 127.448 126.560 0.888 18679 6222 1 18 . 1 1 29 29 HIS HA H 29 4.559 4.559 4.924 -0.365 18679 6223 1 18 . 1 1 29 29 HIS C C 29 177.582 177.582 176.611 0.971 18679 6224 1 18 . 1 1 29 29 HIS CA C 29 55.739 55.739 55.189 0.550 18679 6225 1 18 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.355 1.187 18679 6226 1 18 . 1 1 29 29 HIS H H 29 8.561 8.561 7.916 0.645 18679 6227 1 18 . 1 1 30 30 PHE N N 30 122.691 122.691 123.384 -0.693 18679 6228 1 18 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.188 -0.326 18679 6229 1 18 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.248 -0.258 18679 6230 1 18 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.378 -1.898 18679 6231 1 18 . 1 1 30 30 PHE H H 30 7.970 7.970 8.004 -0.034 18679 6232 1 18 . 1 1 31 31 SER N N 31 118.356 118.356 113.362 4.994 18679 6233 1 18 . 1 1 31 31 SER HA H 31 3.858 3.858 4.231 -0.373 18679 6234 1 18 . 1 1 31 31 SER C C 31 175.382 175.382 175.090 0.292 18679 6235 1 18 . 1 1 31 31 SER CA C 31 59.761 59.761 58.839 0.922 18679 6236 1 18 . 1 1 31 31 SER CB C 31 62.630 62.630 62.928 -0.298 18679 6237 1 18 . 1 1 31 31 SER H H 31 7.623 7.623 7.582 0.041 18679 6238 1 18 . 1 1 32 32 ALA N N 32 124.536 124.536 123.446 1.090 18679 6239 1 18 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.366 0.039 18679 6240 1 18 . 1 1 32 32 ALA C C 32 177.706 177.706 177.233 0.473 18679 6241 1 18 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.504 -0.120 18679 6242 1 18 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.230 0.943 18679 6243 1 18 . 1 1 32 32 ALA H H 32 7.902 7.902 7.455 0.447 18679 6244 1 18 . 1 1 33 33 ILE N N 33 121.051 121.051 119.771 1.280 18679 6245 1 18 . 1 1 33 33 ILE HA H 33 3.841 3.841 4.081 -0.240 18679 6246 1 18 . 1 1 33 33 ILE C C 33 175.517 175.517 174.850 0.667 18679 6247 1 18 . 1 1 33 33 ILE CA C 33 62.252 62.252 60.906 1.346 18679 6248 1 18 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.356 -0.372 18679 6249 1 18 . 1 1 33 33 ILE H H 33 7.595 7.595 7.396 0.199 18679 6250 1 18 . 1 1 34 34 GLN N N 34 126.803 126.803 126.260 0.543 18679 6251 1 18 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.561 -0.306 18679 6252 1 18 . 1 1 34 34 GLN C C 34 176.167 176.167 176.662 -0.495 18679 6253 1 18 . 1 1 34 34 GLN CA C 34 55.872 55.872 54.843 1.029 18679 6254 1 18 . 1 1 34 34 GLN CB C 34 29.510 29.510 27.988 1.522 18679 6255 1 18 . 1 1 34 34 GLN H H 34 8.714 8.714 8.405 0.309 18679 6256 1 18 . 1 1 35 35 GLY N N 35 110.928 110.928 114.129 -3.201 18679 6257 1 18 . 1 1 35 35 GLY C C 35 172.763 172.763 172.858 -0.095 18679 6258 1 18 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.506 0.332 18679 6259 1 18 . 1 1 35 35 GLY H H 35 8.411 8.411 8.885 -0.474 18679 6260 1 18 . 1 1 36 36 ASP N N 36 119.994 119.994 122.706 -2.712 18679 6261 1 18 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.557 0.242 18679 6262 1 18 . 1 1 36 36 ASP C C 36 176.584 176.584 177.237 -0.653 18679 6263 1 18 . 1 1 36 36 ASP CA C 36 53.957 53.957 54.472 -0.515 18679 6264 1 18 . 1 1 36 36 ASP CB C 36 42.297 42.297 41.173 1.124 18679 6265 1 18 . 1 1 36 36 ASP H H 36 8.319 8.319 7.901 0.418 18679 6266 1 18 . 1 1 37 37 GLY N N 37 108.688 108.688 115.694 -7.006 18679 6267 1 18 . 1 1 37 37 GLY C C 37 176.528 176.528 173.679 2.849 18679 6268 1 18 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.598 -0.922 18679 6269 1 18 . 1 1 37 37 GLY H H 37 8.390 8.390 8.337 0.053 18679 6270 1 18 . 1 1 38 38 PHE N N 38 122.793 122.793 123.416 -0.623 18679 6271 1 18 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.698 0.069 18679 6272 1 18 . 1 1 38 38 PHE C C 38 175.402 175.402 175.174 0.228 18679 6273 1 18 . 1 1 38 38 PHE CA C 38 59.992 59.992 56.882 3.110 18679 6274 1 18 . 1 1 38 38 PHE CB C 38 39.043 39.043 40.028 -0.985 18679 6275 1 18 . 1 1 38 38 PHE H H 38 8.423 8.423 7.923 0.500 18679 6276 1 18 . 1 1 39 39 LYS N N 39 123.349 123.349 123.759 -0.410 18679 6277 1 18 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.205 0.128 18679 6278 1 18 . 1 1 39 39 LYS C C 39 169.990 169.990 176.280 -6.290 18679 6279 1 18 . 1 1 39 39 LYS CA C 39 55.478 55.478 57.520 -2.042 18679 6280 1 18 . 1 1 39 39 LYS CB C 39 32.335 32.335 33.016 -0.681 18679 6281 1 18 . 1 1 39 39 LYS H H 39 8.592 8.592 8.789 -0.197 18679 6282 1 18 . 1 1 40 40 SER N N 40 113.941 113.941 113.879 0.062 18679 6283 1 18 . 1 1 40 40 SER HA H 40 3.673 3.673 4.374 -0.701 18679 6284 1 18 . 1 1 40 40 SER CA C 40 57.015 57.015 57.415 -0.400 18679 6285 1 18 . 1 1 40 40 SER CB C 40 64.589 64.589 63.675 0.914 18679 6286 1 18 . 1 1 40 40 SER H H 40 7.444 7.444 7.825 -0.381 18679 6287 1 18 . 1 1 41 41 LEU N N 41 117.107 117.107 126.043 -8.936 18679 6288 1 18 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.043 0.351 18679 6289 1 18 . 1 1 41 41 LEU C C 41 173.917 173.917 176.748 -2.831 18679 6290 1 18 . 1 1 41 41 LEU CA C 41 52.414 52.414 54.575 -2.161 18679 6291 1 18 . 1 1 41 41 LEU CB C 41 46.815 46.815 42.220 4.595 18679 6292 1 18 . 1 1 41 41 LEU H H 41 5.598 5.598 7.130 -1.532 18679 6293 1 18 . 1 1 42 42 ASP N N 42 118.896 118.896 121.187 -2.291 18679 6294 1 18 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.546 0.348 18679 6295 1 18 . 1 1 42 42 ASP C C 42 175.559 175.559 175.949 -0.390 18679 6296 1 18 . 1 1 42 42 ASP CA C 42 52.777 52.777 53.383 -0.606 18679 6297 1 18 . 1 1 42 42 ASP CB C 42 42.970 42.970 42.145 0.825 18679 6298 1 18 . 1 1 42 42 ASP H H 42 8.156 8.156 8.075 0.081 18679 6299 1 18 . 1 1 43 43 GLU N N 43 121.023 121.023 124.618 -3.595 18679 6300 1 18 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.154 -0.636 18679 6301 1 18 . 1 1 43 43 GLU C C 43 177.211 177.211 177.065 0.146 18679 6302 1 18 . 1 1 43 43 GLU CA C 43 58.444 58.444 56.707 1.737 18679 6303 1 18 . 1 1 43 43 GLU CB C 43 29.531 29.531 28.451 1.080 18679 6304 1 18 . 1 1 43 43 GLU H H 43 8.689 8.689 8.528 0.161 18679 6305 1 18 . 1 1 44 44 GLY N N 44 113.916 113.916 113.719 0.197 18679 6306 1 18 . 1 1 44 44 GLY C C 44 173.870 173.870 174.094 -0.224 18679 6307 1 18 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.671 0.523 18679 6308 1 18 . 1 1 44 44 GLY H H 44 8.971 8.971 9.064 -0.093 18679 6309 1 18 . 1 1 45 45 GLN N N 45 120.533 120.533 121.089 -0.556 18679 6310 1 18 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.263 -0.086 18679 6311 1 18 . 1 1 45 45 GLN C C 45 175.454 175.454 174.848 0.606 18679 6312 1 18 . 1 1 45 45 GLN CA C 45 56.105 56.105 55.199 0.906 18679 6313 1 18 . 1 1 45 45 GLN CB C 45 30.398 30.398 29.716 0.682 18679 6314 1 18 . 1 1 45 45 GLN H H 45 7.634 7.634 7.666 -0.032 18679 6315 1 18 . 1 1 46 46 ALA N N 46 130.118 130.118 130.124 -0.006 18679 6316 1 18 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.110 -0.177 18679 6317 1 18 . 1 1 46 46 ALA C C 46 178.148 178.148 176.128 2.020 18679 6318 1 18 . 1 1 46 46 ALA CA C 46 52.206 52.206 50.988 1.218 18679 6319 1 18 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.692 -0.709 18679 6320 1 18 . 1 1 46 46 ALA H H 46 8.894 8.894 8.529 0.365 18679 6321 1 18 . 1 1 47 47 VAL N N 47 114.581 114.581 119.146 -4.565 18679 6322 1 18 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.663 0.745 18679 6323 1 18 . 1 1 47 47 VAL C C 47 175.654 175.654 174.650 1.004 18679 6324 1 18 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.459 -0.587 18679 6325 1 18 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.431 1.698 18679 6326 1 18 . 1 1 47 47 VAL H H 47 8.591 8.591 9.138 -0.547 18679 6327 1 18 . 1 1 48 48 THR N N 48 113.346 113.346 115.419 -2.073 18679 6328 1 18 . 1 1 48 48 THR HA H 48 5.398 5.398 5.035 0.363 18679 6329 1 18 . 1 1 48 48 THR C C 48 177.527 177.527 174.306 3.221 18679 6330 1 18 . 1 1 48 48 THR CA C 48 60.253 60.253 60.117 0.136 18679 6331 1 18 . 1 1 48 48 THR CB C 48 71.323 71.323 68.964 2.359 18679 6332 1 18 . 1 1 48 48 THR H H 48 8.943 8.943 8.622 0.321 18679 6333 1 18 . 1 1 49 49 PHE N N 49 116.531 116.531 122.763 -6.232 18679 6334 1 18 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.918 -0.915 18679 6335 1 18 . 1 1 49 49 PHE C C 49 171.900 171.900 174.407 -2.507 18679 6336 1 18 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.770 1.819 18679 6337 1 18 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.462 -2.721 18679 6338 1 18 . 1 1 49 49 PHE H H 49 8.214 8.214 7.829 0.385 18679 6339 1 18 . 1 1 50 50 ASP N N 50 118.134 118.134 121.819 -3.685 18679 6340 1 18 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.068 0.099 18679 6341 1 18 . 1 1 50 50 ASP C C 50 175.559 175.559 175.623 -0.064 18679 6342 1 18 . 1 1 50 50 ASP CA C 50 53.971 53.971 53.522 0.449 18679 6343 1 18 . 1 1 50 50 ASP CB C 50 43.986 43.986 42.587 1.399 18679 6344 1 18 . 1 1 50 50 ASP H H 50 8.862 8.862 8.892 -0.030 18679 6345 1 18 . 1 1 51 51 VAL N N 51 120.815 120.815 125.036 -4.221 18679 6346 1 18 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.198 0.572 18679 6347 1 18 . 1 1 51 51 VAL C C 51 175.378 175.378 175.467 -0.089 18679 6348 1 18 . 1 1 51 51 VAL CA C 51 62.046 62.046 63.278 -1.232 18679 6349 1 18 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.325 1.530 18679 6350 1 18 . 1 1 51 51 VAL H H 51 8.700 8.700 8.799 -0.099 18679 6351 1 18 . 1 1 52 52 GLU N N 52 127.575 127.575 129.971 -2.396 18679 6352 1 18 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.626 0.154 18679 6353 1 18 . 1 1 52 52 GLU C C 52 175.436 175.436 175.093 0.343 18679 6354 1 18 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.208 -0.075 18679 6355 1 18 . 1 1 52 52 GLU CB C 52 32.295 32.295 32.108 0.187 18679 6356 1 18 . 1 1 52 52 GLU H H 52 9.062 9.062 9.112 -0.050 18679 6357 1 18 . 1 1 53 53 GLU N N 53 124.119 124.119 124.976 -0.857 18679 6358 1 18 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.849 -0.589 18679 6359 1 18 . 1 1 53 53 GLU C C 53 176.436 176.436 176.170 0.266 18679 6360 1 18 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.281 1.136 18679 6361 1 18 . 1 1 53 53 GLU CB C 53 29.392 29.392 30.915 -1.523 18679 6362 1 18 . 1 1 53 53 GLU H H 53 8.808 8.808 8.766 0.042 18679 6363 1 18 . 1 1 54 54 GLY N N 54 113.794 113.794 110.661 3.133 18679 6364 1 18 . 1 1 54 54 GLY C C 54 175.559 175.559 174.172 1.387 18679 6365 1 18 . 1 1 54 54 GLY CA C 54 44.527 44.527 45.434 -0.908 18679 6366 1 18 . 1 1 54 54 GLY H H 54 7.822 7.822 8.173 -0.351 18679 6367 1 18 . 1 1 55 55 GLN N N 55 121.059 121.059 118.986 2.073 18679 6368 1 18 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.101 0.656 18679 6369 1 18 . 1 1 55 55 GLN C C 55 177.419 177.419 176.954 0.465 18679 6370 1 18 . 1 1 55 55 GLN CA C 55 58.624 58.624 58.147 0.477 18679 6371 1 18 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.835 0.398 18679 6372 1 18 . 1 1 55 55 GLN H H 55 8.685 8.685 8.588 0.097 18679 6373 1 18 . 1 1 56 56 ARG N N 56 116.444 116.444 118.361 -1.917 18679 6374 1 18 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.250 0.176 18679 6375 1 18 . 1 1 56 56 ARG C C 56 175.110 175.110 176.662 -1.552 18679 6376 1 18 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.409 -0.573 18679 6377 1 18 . 1 1 56 56 ARG CB C 56 30.092 30.092 29.505 0.587 18679 6378 1 18 . 1 1 56 56 ARG H H 56 8.491 8.491 8.350 0.141 18679 6379 1 18 . 1 1 57 57 GLY N N 57 107.667 107.667 107.804 -0.137 18679 6380 1 18 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.558 -0.357 18679 6381 1 18 . 1 1 57 57 GLY H H 57 7.316 7.316 7.789 -0.473 18679 6382 1 18 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.752 0.058 18679 6383 1 18 . 1 1 58 58 PRO C C 58 176.345 176.345 175.173 1.172 18679 6384 1 18 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.809 0.309 18679 6385 1 18 . 1 1 58 58 PRO CB C 58 32.517 32.517 31.371 1.146 18679 6386 1 18 . 1 1 59 59 GLN N N 59 121.136 121.136 125.413 -4.277 18679 6387 1 18 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.426 -0.266 18679 6388 1 18 . 1 1 59 59 GLN C C 59 173.910 173.910 175.117 -1.207 18679 6389 1 18 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.970 0.314 18679 6390 1 18 . 1 1 59 59 GLN CB C 59 32.688 32.688 31.781 0.907 18679 6391 1 18 . 1 1 59 59 GLN H H 59 9.086 9.086 8.837 0.249 18679 6392 1 18 . 1 1 60 60 ALA N N 60 123.241 123.241 128.699 -5.458 18679 6393 1 18 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.452 0.426 18679 6394 1 18 . 1 1 60 60 ALA C C 60 176.210 176.210 175.461 0.749 18679 6395 1 18 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.837 -0.621 18679 6396 1 18 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.261 1.010 18679 6397 1 18 . 1 1 60 60 ALA H H 60 8.796 8.796 8.489 0.307 18679 6398 1 18 . 1 1 61 61 ALA N N 61 123.741 123.741 126.940 -3.199 18679 6399 1 18 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.723 -0.053 18679 6400 1 18 . 1 1 61 61 ALA C C 61 175.840 175.840 175.934 -0.094 18679 6401 1 18 . 1 1 61 61 ALA CA C 61 50.868 50.868 49.996 0.872 18679 6402 1 18 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.301 0.762 18679 6403 1 18 . 1 1 61 61 ALA H H 61 9.165 9.165 8.776 0.389 18679 6404 1 18 . 1 1 62 62 ASN N N 62 118.727 118.727 115.402 3.325 18679 6405 1 18 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.413 -0.163 18679 6406 1 18 . 1 1 62 62 ASN C C 62 178.093 178.093 174.003 4.090 18679 6407 1 18 . 1 1 62 62 ASN CA C 62 53.967 53.967 53.992 -0.025 18679 6408 1 18 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.176 1.052 18679 6409 1 18 . 1 1 62 62 ASN H H 62 9.288 9.288 8.678 0.610 18679 6410 1 18 . 1 1 63 63 VAL N N 63 116.869 116.869 119.934 -3.065 18679 6411 1 18 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.202 0.181 18679 6412 1 18 . 1 1 63 63 VAL C C 63 175.378 175.378 174.712 0.666 18679 6413 1 18 . 1 1 63 63 VAL CA C 63 63.116 63.116 61.852 1.264 18679 6414 1 18 . 1 1 63 63 VAL CB C 63 31.509 31.509 30.502 1.007 18679 6415 1 18 . 1 1 63 63 VAL H H 63 8.129 8.129 7.780 0.349 18679 6416 1 18 . 1 1 64 64 GLN N N 64 127.534 127.534 128.457 -0.923 18679 6417 1 18 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.692 0.085 18679 6418 1 18 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.421 0.712 18679 6419 1 18 . 1 1 64 64 GLN CB C 64 32.174 32.174 32.318 -0.144 18679 6420 1 18 . 1 1 64 64 GLN H H 64 9.104 9.104 8.870 0.234 18679 6421 1 18 . 1 1 65 65 LYS N N 65 122.593 122.593 119.635 2.958 18679 6422 1 18 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.341 -0.046 18679 6423 1 18 . 1 1 65 65 LYS C C 65 175.520 175.520 176.117 -0.597 18679 6424 1 18 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.353 1.407 18679 6425 1 18 . 1 1 65 65 LYS CB C 65 32.714 32.714 33.316 -0.602 18679 6426 1 18 . 1 1 65 65 LYS H H 65 8.637 8.637 8.540 0.097 18679 6427 1 19 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.558 0.368 18679 6428 1 19 . 1 1 2 2 GLU C C 2 173.979 173.979 174.833 -0.854 18679 6429 1 19 . 1 1 2 2 GLU CB C 2 26.849 26.849 32.001 -5.152 18679 6430 1 19 . 1 1 3 3 GLN N N 3 116.901 116.901 121.257 -4.356 18679 6431 1 19 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.899 0.251 18679 6432 1 19 . 1 1 3 3 GLN C C 3 175.962 175.962 175.326 0.636 18679 6433 1 19 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.461 -0.337 18679 6434 1 19 . 1 1 3 3 GLN CB C 3 31.938 31.938 31.505 0.433 18679 6435 1 19 . 1 1 3 3 GLN H H 3 8.202 8.202 8.554 -0.352 18679 6436 1 19 . 1 1 4 4 GLY N N 4 108.174 108.174 111.719 -3.545 18679 6437 1 19 . 1 1 4 4 GLY C C 4 172.109 172.109 172.286 -0.177 18679 6438 1 19 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.383 1.231 18679 6439 1 19 . 1 1 4 4 GLY H H 4 8.629 8.629 8.794 -0.165 18679 6440 1 19 . 1 1 5 5 THR N N 5 114.528 114.528 116.953 -2.425 18679 6441 1 19 . 1 1 5 5 THR HA H 5 5.210 5.210 4.805 0.405 18679 6442 1 19 . 1 1 5 5 THR C C 5 173.994 173.994 174.576 -0.582 18679 6443 1 19 . 1 1 5 5 THR CA C 5 60.077 60.077 62.036 -1.959 18679 6444 1 19 . 1 1 5 5 THR CB C 5 71.635 71.635 70.292 1.343 18679 6445 1 19 . 1 1 5 5 THR H H 5 8.417 8.417 8.148 0.269 18679 6446 1 19 . 1 1 6 6 VAL N N 6 125.816 125.816 127.585 -1.769 18679 6447 1 19 . 1 1 6 6 VAL HA H 6 3.521 3.521 4.007 -0.486 18679 6448 1 19 . 1 1 6 6 VAL C C 6 175.620 175.620 175.772 -0.152 18679 6449 1 19 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.960 1.108 18679 6450 1 19 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.977 0.655 18679 6451 1 19 . 1 1 6 6 VAL H H 6 8.908 8.908 8.962 -0.054 18679 6452 1 19 . 1 1 7 7 LYS N N 7 135.919 135.919 127.350 8.569 18679 6453 1 19 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.195 0.019 18679 6454 1 19 . 1 1 7 7 LYS C C 7 175.913 175.913 175.913 0.000 18679 6455 1 19 . 1 1 7 7 LYS CA C 7 58.754 58.754 57.935 0.819 18679 6456 1 19 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.454 1.638 18679 6457 1 19 . 1 1 7 7 LYS H H 7 9.260 9.260 8.812 0.448 18679 6458 1 19 . 1 1 8 8 TRP N N 8 110.597 110.597 120.096 -9.499 18679 6459 1 19 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.951 -0.384 18679 6460 1 19 . 1 1 8 8 TRP C C 8 173.327 173.327 173.971 -0.644 18679 6461 1 19 . 1 1 8 8 TRP CA C 8 55.871 55.871 56.440 -0.569 18679 6462 1 19 . 1 1 8 8 TRP CB C 8 30.675 30.675 31.188 -0.513 18679 6463 1 19 . 1 1 8 8 TRP H H 8 7.372 7.372 7.872 -0.500 18679 6464 1 19 . 1 1 9 9 PHE N N 9 120.373 120.373 125.899 -5.526 18679 6465 1 19 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.779 -0.599 18679 6466 1 19 . 1 1 9 9 PHE C C 9 172.561 172.561 174.252 -1.691 18679 6467 1 19 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.278 2.832 18679 6468 1 19 . 1 1 9 9 PHE CB C 9 42.287 42.287 39.814 2.473 18679 6469 1 19 . 1 1 9 9 PHE H H 9 9.265 9.265 8.664 0.601 18679 6470 1 19 . 1 1 10 10 ASN N N 10 127.710 127.710 127.270 0.440 18679 6471 1 19 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.734 0.199 18679 6472 1 19 . 1 1 10 10 ASN C C 10 174.373 174.373 175.144 -0.771 18679 6473 1 19 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.269 -0.371 18679 6474 1 19 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.245 1.664 18679 6475 1 19 . 1 1 10 10 ASN H H 10 8.223 8.223 8.301 -0.078 18679 6476 1 19 . 1 1 11 11 ALA N N 11 129.186 129.186 126.282 2.904 18679 6477 1 19 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.566 0.737 18679 6478 1 19 . 1 1 11 11 ALA C C 11 176.087 176.087 178.347 -2.260 18679 6479 1 19 . 1 1 11 11 ALA CA C 11 53.809 53.809 55.002 -1.194 18679 6480 1 19 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.908 -0.207 18679 6481 1 19 . 1 1 11 11 ALA H H 11 9.119 9.119 7.611 1.508 18679 6482 1 19 . 1 1 12 12 GLU N N 12 116.366 116.366 116.209 0.157 18679 6483 1 19 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.092 -0.069 18679 6484 1 19 . 1 1 12 12 GLU C C 12 175.119 175.119 177.062 -1.943 18679 6485 1 19 . 1 1 12 12 GLU CA C 12 58.448 58.448 57.510 0.938 18679 6486 1 19 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.052 0.103 18679 6487 1 19 . 1 1 12 12 GLU H H 12 8.082 8.082 8.367 -0.285 18679 6488 1 19 . 1 1 13 13 LYS N N 13 113.821 113.821 118.121 -4.300 18679 6489 1 19 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.392 -0.080 18679 6490 1 19 . 1 1 13 13 LYS C C 13 177.130 177.130 177.230 -0.100 18679 6491 1 19 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.345 1.467 18679 6492 1 19 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.672 0.941 18679 6493 1 19 . 1 1 13 13 LYS H H 13 7.273 7.273 7.443 -0.170 18679 6494 1 19 . 1 1 14 14 GLY N N 14 105.929 105.929 107.605 -1.676 18679 6495 1 19 . 1 1 14 14 GLY C C 14 172.485 172.485 172.827 -0.342 18679 6496 1 19 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.301 1.453 18679 6497 1 19 . 1 1 14 14 GLY H H 14 8.370 8.370 7.919 0.451 18679 6498 1 19 . 1 1 15 15 PHE N N 15 112.060 112.060 117.891 -5.831 18679 6499 1 19 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.339 -0.525 18679 6500 1 19 . 1 1 15 15 PHE C C 15 171.414 171.414 173.731 -2.317 18679 6501 1 19 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.058 -1.338 18679 6502 1 19 . 1 1 15 15 PHE CB C 15 42.723 42.723 42.449 0.274 18679 6503 1 19 . 1 1 15 15 PHE H H 15 6.572 6.572 7.345 -0.773 18679 6504 1 19 . 1 1 16 16 GLY N N 16 105.419 105.419 106.803 -1.384 18679 6505 1 19 . 1 1 16 16 GLY C C 16 173.812 173.812 171.930 1.882 18679 6506 1 19 . 1 1 16 16 GLY CA C 16 44.912 44.912 44.080 0.833 18679 6507 1 19 . 1 1 16 16 GLY H H 16 7.851 7.851 8.135 -0.284 18679 6508 1 19 . 1 1 17 17 PHE N N 17 115.154 115.154 121.990 -6.836 18679 6509 1 19 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.272 -0.264 18679 6510 1 19 . 1 1 17 17 PHE C C 17 174.568 174.568 175.037 -0.469 18679 6511 1 19 . 1 1 17 17 PHE CA C 17 56.724 56.724 57.169 -0.445 18679 6512 1 19 . 1 1 17 17 PHE CB C 17 45.189 45.189 40.779 4.410 18679 6513 1 19 . 1 1 17 17 PHE H H 17 7.800 7.800 9.214 -1.414 18679 6514 1 19 . 1 1 18 18 ILE N N 18 122.756 122.756 124.159 -1.403 18679 6515 1 19 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.735 -0.674 18679 6516 1 19 . 1 1 18 18 ILE C C 18 174.459 174.459 175.606 -1.147 18679 6517 1 19 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.218 -0.062 18679 6518 1 19 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.120 1.259 18679 6519 1 19 . 1 1 18 18 ILE H H 18 9.337 9.337 8.862 0.475 18679 6520 1 19 . 1 1 19 19 GLU N N 19 126.777 126.777 126.941 -0.164 18679 6521 1 19 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.505 0.410 18679 6522 1 19 . 1 1 19 19 GLU C C 19 175.169 175.169 174.937 0.232 18679 6523 1 19 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.914 -0.934 18679 6524 1 19 . 1 1 19 19 GLU CB C 19 32.204 32.204 31.526 0.678 18679 6525 1 19 . 1 1 19 19 GLU H H 19 9.294 9.294 8.919 0.375 18679 6526 1 19 . 1 1 20 20 ARG N N 20 123.573 123.573 120.961 2.612 18679 6527 1 19 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.737 -0.717 18679 6528 1 19 . 1 1 20 20 ARG C C 20 176.345 176.345 177.803 -1.458 18679 6529 1 19 . 1 1 20 20 ARG CA C 20 55.406 55.406 55.032 0.374 18679 6530 1 19 . 1 1 20 20 ARG CB C 20 33.630 33.630 33.264 0.366 18679 6531 1 19 . 1 1 20 20 ARG H H 20 9.290 9.290 8.325 0.965 18679 6532 1 19 . 1 1 21 21 GLU N N 21 121.542 121.542 122.394 -0.852 18679 6533 1 19 . 1 1 21 21 GLU HA H 21 4.100 4.100 3.976 0.124 18679 6534 1 19 . 1 1 21 21 GLU C C 21 177.265 177.265 177.070 0.195 18679 6535 1 19 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.044 -0.249 18679 6536 1 19 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.374 0.534 18679 6537 1 19 . 1 1 21 21 GLU H H 21 9.066 9.066 8.983 0.083 18679 6538 1 19 . 1 1 22 22 ASN N N 22 115.336 115.336 116.800 -1.464 18679 6539 1 19 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.736 0.012 18679 6540 1 19 . 1 1 22 22 ASN C C 22 174.806 174.806 175.298 -0.492 18679 6541 1 19 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.534 0.595 18679 6542 1 19 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.799 0.221 18679 6543 1 19 . 1 1 22 22 ASN H H 22 8.257 8.257 8.084 0.173 18679 6544 1 19 . 1 1 23 23 GLY N N 23 107.564 107.564 108.698 -1.134 18679 6545 1 19 . 1 1 23 23 GLY C C 23 172.948 172.948 173.436 -0.488 18679 6546 1 19 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.480 -0.784 18679 6547 1 19 . 1 1 23 23 GLY H H 23 7.866 7.866 7.922 -0.056 18679 6548 1 19 . 1 1 24 24 ASP N N 24 120.038 120.038 121.867 -1.829 18679 6549 1 19 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.548 0.080 18679 6550 1 19 . 1 1 24 24 ASP C C 24 175.559 175.559 175.603 -0.044 18679 6551 1 19 . 1 1 24 24 ASP CA C 24 54.453 54.453 53.732 0.721 18679 6552 1 19 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.617 0.927 18679 6553 1 19 . 1 1 24 24 ASP H H 24 8.370 8.370 8.192 0.178 18679 6554 1 19 . 1 1 25 25 ASP N N 25 120.666 120.666 122.636 -1.970 18679 6555 1 19 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.845 0.076 18679 6556 1 19 . 1 1 25 25 ASP C C 25 176.258 176.258 176.658 -0.400 18679 6557 1 19 . 1 1 25 25 ASP CA C 25 54.973 54.973 54.116 0.857 18679 6558 1 19 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.955 1.533 18679 6559 1 19 . 1 1 25 25 ASP H H 25 8.698 8.698 8.002 0.696 18679 6560 1 19 . 1 1 26 26 VAL N N 26 120.541 120.541 122.200 -1.659 18679 6561 1 19 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.333 0.013 18679 6562 1 19 . 1 1 26 26 VAL C C 26 174.724 174.724 175.250 -0.526 18679 6563 1 19 . 1 1 26 26 VAL CA C 26 60.847 60.847 62.002 -1.155 18679 6564 1 19 . 1 1 26 26 VAL CB C 26 34.500 34.500 32.981 1.519 18679 6565 1 19 . 1 1 26 26 VAL H H 26 9.365 9.365 8.937 0.428 18679 6566 1 19 . 1 1 27 27 PHE N N 27 130.752 130.752 130.080 0.672 18679 6567 1 19 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.899 -1.369 18679 6568 1 19 . 1 1 27 27 PHE C C 27 172.517 172.517 174.312 -1.795 18679 6569 1 19 . 1 1 27 27 PHE CA C 27 58.978 58.978 56.354 2.624 18679 6570 1 19 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.277 -0.343 18679 6571 1 19 . 1 1 27 27 PHE H H 27 8.335 8.335 9.373 -1.038 18679 6572 1 19 . 1 1 28 28 VAL N N 28 124.530 124.530 128.265 -3.735 18679 6573 1 19 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.206 0.187 18679 6574 1 19 . 1 1 28 28 VAL C C 28 170.556 170.556 173.839 -3.283 18679 6575 1 19 . 1 1 28 28 VAL CA C 28 57.706 57.706 60.298 -2.592 18679 6576 1 19 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.567 0.030 18679 6577 1 19 . 1 1 28 28 VAL H H 28 7.411 7.411 8.234 -0.823 18679 6578 1 19 . 1 1 29 29 HIS N N 29 127.448 127.448 124.039 3.409 18679 6579 1 19 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.519 -0.960 18679 6580 1 19 . 1 1 29 29 HIS C C 29 177.582 177.582 176.727 0.855 18679 6581 1 19 . 1 1 29 29 HIS CA C 29 55.739 55.739 52.991 2.748 18679 6582 1 19 . 1 1 29 29 HIS CB C 29 33.542 33.542 31.880 1.663 18679 6583 1 19 . 1 1 29 29 HIS H H 29 8.561 8.561 7.782 0.779 18679 6584 1 19 . 1 1 30 30 PHE N N 30 122.691 122.691 122.086 0.605 18679 6585 1 19 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.155 -0.293 18679 6586 1 19 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.632 -0.642 18679 6587 1 19 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.477 -1.996 18679 6588 1 19 . 1 1 30 30 PHE H H 30 7.970 7.970 8.383 -0.413 18679 6589 1 19 . 1 1 31 31 SER N N 31 118.356 118.356 114.490 3.866 18679 6590 1 19 . 1 1 31 31 SER HA H 31 3.858 3.858 4.221 -0.363 18679 6591 1 19 . 1 1 31 31 SER C C 31 175.382 175.382 174.654 0.728 18679 6592 1 19 . 1 1 31 31 SER CA C 31 59.761 59.761 59.215 0.546 18679 6593 1 19 . 1 1 31 31 SER CB C 31 62.630 62.630 63.261 -0.631 18679 6594 1 19 . 1 1 31 31 SER H H 31 7.623 7.623 7.472 0.151 18679 6595 1 19 . 1 1 32 32 ALA N N 32 124.536 124.536 122.705 1.831 18679 6596 1 19 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.474 -0.069 18679 6597 1 19 . 1 1 32 32 ALA C C 32 177.706 177.706 175.902 1.804 18679 6598 1 19 . 1 1 32 32 ALA CA C 32 52.384 52.384 51.124 1.260 18679 6599 1 19 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.593 0.581 18679 6600 1 19 . 1 1 32 32 ALA H H 32 7.902 7.902 7.733 0.169 18679 6601 1 19 . 1 1 33 33 ILE N N 33 121.051 121.051 120.528 0.523 18679 6602 1 19 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.882 -0.041 18679 6603 1 19 . 1 1 33 33 ILE C C 33 175.517 175.517 175.260 0.257 18679 6604 1 19 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.468 0.784 18679 6605 1 19 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.961 -0.976 18679 6606 1 19 . 1 1 33 33 ILE H H 33 7.595 7.595 7.226 0.369 18679 6607 1 19 . 1 1 34 34 GLN N N 34 126.803 126.803 125.233 1.570 18679 6608 1 19 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.270 -0.015 18679 6609 1 19 . 1 1 34 34 GLN C C 34 176.167 176.167 176.376 -0.209 18679 6610 1 19 . 1 1 34 34 GLN CA C 34 55.872 55.872 56.128 -0.256 18679 6611 1 19 . 1 1 34 34 GLN CB C 34 29.510 29.510 27.603 1.907 18679 6612 1 19 . 1 1 34 34 GLN H H 34 8.714 8.714 8.611 0.103 18679 6613 1 19 . 1 1 35 35 GLY N N 35 110.928 110.928 110.594 0.334 18679 6614 1 19 . 1 1 35 35 GLY C C 35 172.763 172.763 173.390 -0.627 18679 6615 1 19 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.705 0.133 18679 6616 1 19 . 1 1 35 35 GLY H H 35 8.411 8.411 8.258 0.153 18679 6617 1 19 . 1 1 36 36 ASP N N 36 119.994 119.994 120.121 -0.127 18679 6618 1 19 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.611 0.188 18679 6619 1 19 . 1 1 36 36 ASP C C 36 176.584 176.584 176.996 -0.412 18679 6620 1 19 . 1 1 36 36 ASP CA C 36 53.957 53.957 53.663 0.294 18679 6621 1 19 . 1 1 36 36 ASP CB C 36 42.297 42.297 41.030 1.267 18679 6622 1 19 . 1 1 36 36 ASP H H 36 8.319 8.319 7.564 0.755 18679 6623 1 19 . 1 1 37 37 GLY N N 37 108.688 108.688 114.560 -5.872 18679 6624 1 19 . 1 1 37 37 GLY C C 37 176.528 176.528 173.965 2.563 18679 6625 1 19 . 1 1 37 37 GLY CA C 37 44.676 44.676 44.816 -0.140 18679 6626 1 19 . 1 1 37 37 GLY H H 37 8.390 8.390 8.232 0.158 18679 6627 1 19 . 1 1 38 38 PHE N N 38 122.793 122.793 125.131 -2.338 18679 6628 1 19 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.607 0.160 18679 6629 1 19 . 1 1 38 38 PHE C C 38 175.402 175.402 176.002 -0.600 18679 6630 1 19 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.606 2.385 18679 6631 1 19 . 1 1 38 38 PHE CB C 38 39.043 39.043 39.510 -0.467 18679 6632 1 19 . 1 1 38 38 PHE H H 38 8.423 8.423 8.242 0.181 18679 6633 1 19 . 1 1 39 39 LYS N N 39 123.349 123.349 122.761 0.588 18679 6634 1 19 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.247 0.086 18679 6635 1 19 . 1 1 39 39 LYS C C 39 169.990 169.990 176.251 -6.261 18679 6636 1 19 . 1 1 39 39 LYS CA C 39 55.478 55.478 56.778 -1.300 18679 6637 1 19 . 1 1 39 39 LYS CB C 39 32.335 32.335 32.694 -0.360 18679 6638 1 19 . 1 1 39 39 LYS H H 39 8.592 8.592 8.622 -0.030 18679 6639 1 19 . 1 1 40 40 SER N N 40 113.941 113.941 115.719 -1.778 18679 6640 1 19 . 1 1 40 40 SER HA H 40 3.673 3.673 4.399 -0.726 18679 6641 1 19 . 1 1 40 40 SER CA C 40 57.015 57.015 56.850 0.165 18679 6642 1 19 . 1 1 40 40 SER CB C 40 64.589 64.589 62.727 1.862 18679 6643 1 19 . 1 1 40 40 SER H H 40 7.444 7.444 7.815 -0.371 18679 6644 1 19 . 1 1 41 41 LEU N N 41 117.107 117.107 126.980 -9.873 18679 6645 1 19 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.073 0.321 18679 6646 1 19 . 1 1 41 41 LEU C C 41 173.917 173.917 175.723 -1.806 18679 6647 1 19 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.815 -1.401 18679 6648 1 19 . 1 1 41 41 LEU CB C 41 46.815 46.815 40.685 6.130 18679 6649 1 19 . 1 1 41 41 LEU H H 41 5.598 5.598 7.504 -1.906 18679 6650 1 19 . 1 1 42 42 ASP N N 42 118.896 118.896 121.884 -2.988 18679 6651 1 19 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.517 0.377 18679 6652 1 19 . 1 1 42 42 ASP C C 42 175.559 175.559 175.896 -0.337 18679 6653 1 19 . 1 1 42 42 ASP CA C 42 52.777 52.777 53.872 -1.095 18679 6654 1 19 . 1 1 42 42 ASP CB C 42 42.970 42.970 41.778 1.192 18679 6655 1 19 . 1 1 42 42 ASP H H 42 8.156 8.156 7.388 0.768 18679 6656 1 19 . 1 1 43 43 GLU N N 43 121.023 121.023 119.366 1.657 18679 6657 1 19 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.141 -0.623 18679 6658 1 19 . 1 1 43 43 GLU C C 43 177.211 177.211 177.604 -0.393 18679 6659 1 19 . 1 1 43 43 GLU CA C 43 58.444 58.444 58.285 0.159 18679 6660 1 19 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.117 0.414 18679 6661 1 19 . 1 1 43 43 GLU H H 43 8.689 8.689 8.639 0.050 18679 6662 1 19 . 1 1 44 44 GLY N N 44 113.916 113.916 113.278 0.638 18679 6663 1 19 . 1 1 44 44 GLY C C 44 173.870 173.870 173.986 -0.116 18679 6664 1 19 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.839 0.355 18679 6665 1 19 . 1 1 44 44 GLY H H 44 8.971 8.971 9.185 -0.214 18679 6666 1 19 . 1 1 45 45 GLN N N 45 120.533 120.533 121.693 -1.160 18679 6667 1 19 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.453 -0.276 18679 6668 1 19 . 1 1 45 45 GLN C C 45 175.454 175.454 174.143 1.311 18679 6669 1 19 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.371 1.734 18679 6670 1 19 . 1 1 45 45 GLN CB C 45 30.398 30.398 30.031 0.367 18679 6671 1 19 . 1 1 45 45 GLN H H 45 7.634 7.634 7.635 -0.001 18679 6672 1 19 . 1 1 46 46 ALA N N 46 130.118 130.118 129.907 0.211 18679 6673 1 19 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.145 -0.212 18679 6674 1 19 . 1 1 46 46 ALA C C 46 178.148 178.148 176.327 1.821 18679 6675 1 19 . 1 1 46 46 ALA CA C 46 52.206 52.206 50.768 1.438 18679 6676 1 19 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.588 -0.605 18679 6677 1 19 . 1 1 46 46 ALA H H 46 8.894 8.894 8.703 0.191 18679 6678 1 19 . 1 1 47 47 VAL N N 47 114.581 114.581 119.740 -5.159 18679 6679 1 19 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.686 0.722 18679 6680 1 19 . 1 1 47 47 VAL C C 47 175.654 175.654 175.103 0.551 18679 6681 1 19 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.362 -0.490 18679 6682 1 19 . 1 1 47 47 VAL CB C 47 37.129 37.129 34.305 2.824 18679 6683 1 19 . 1 1 47 47 VAL H H 47 8.591 8.591 8.427 0.164 18679 6684 1 19 . 1 1 48 48 THR N N 48 113.346 113.346 113.808 -0.462 18679 6685 1 19 . 1 1 48 48 THR HA H 48 5.398 5.398 5.368 0.030 18679 6686 1 19 . 1 1 48 48 THR C C 48 177.527 177.527 174.277 3.250 18679 6687 1 19 . 1 1 48 48 THR CA C 48 60.253 60.253 59.819 0.433 18679 6688 1 19 . 1 1 48 48 THR CB C 48 71.323 71.323 69.934 1.389 18679 6689 1 19 . 1 1 48 48 THR H H 48 8.943 8.943 8.558 0.385 18679 6690 1 19 . 1 1 49 49 PHE N N 49 116.531 116.531 121.207 -4.676 18679 6691 1 19 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.921 -0.918 18679 6692 1 19 . 1 1 49 49 PHE C C 49 171.900 171.900 173.200 -1.300 18679 6693 1 19 . 1 1 49 49 PHE CA C 49 56.589 56.589 55.309 1.280 18679 6694 1 19 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.446 -2.705 18679 6695 1 19 . 1 1 49 49 PHE H H 49 8.214 8.214 8.625 -0.411 18679 6696 1 19 . 1 1 50 50 ASP N N 50 118.134 118.134 119.231 -1.097 18679 6697 1 19 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.055 0.112 18679 6698 1 19 . 1 1 50 50 ASP C C 50 175.559 175.559 175.141 0.418 18679 6699 1 19 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.132 1.839 18679 6700 1 19 . 1 1 50 50 ASP CB C 50 43.986 43.986 44.540 -0.554 18679 6701 1 19 . 1 1 50 50 ASP H H 50 8.862 8.862 8.729 0.133 18679 6702 1 19 . 1 1 51 51 VAL N N 51 120.815 120.815 123.472 -2.657 18679 6703 1 19 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.344 0.426 18679 6704 1 19 . 1 1 51 51 VAL C C 51 175.378 175.378 175.296 0.082 18679 6705 1 19 . 1 1 51 51 VAL CA C 51 62.046 62.046 62.653 -0.607 18679 6706 1 19 . 1 1 51 51 VAL CB C 51 33.854 33.854 31.997 1.857 18679 6707 1 19 . 1 1 51 51 VAL H H 51 8.700 8.700 8.619 0.081 18679 6708 1 19 . 1 1 52 52 GLU N N 52 127.575 127.575 129.859 -2.284 18679 6709 1 19 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.430 0.350 18679 6710 1 19 . 1 1 52 52 GLU C C 52 175.436 175.436 175.594 -0.158 18679 6711 1 19 . 1 1 52 52 GLU CA C 52 54.133 54.133 55.636 -1.503 18679 6712 1 19 . 1 1 52 52 GLU CB C 52 32.295 32.295 31.523 0.772 18679 6713 1 19 . 1 1 52 52 GLU H H 52 9.062 9.062 9.023 0.039 18679 6714 1 19 . 1 1 53 53 GLU N N 53 124.119 124.119 125.809 -1.690 18679 6715 1 19 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.398 -0.138 18679 6716 1 19 . 1 1 53 53 GLU C C 53 176.436 176.436 176.234 0.202 18679 6717 1 19 . 1 1 53 53 GLU CA C 53 56.417 56.417 56.319 0.098 18679 6718 1 19 . 1 1 53 53 GLU CB C 53 29.392 29.392 30.341 -0.949 18679 6719 1 19 . 1 1 53 53 GLU H H 53 8.808 8.808 8.735 0.073 18679 6720 1 19 . 1 1 54 54 GLY N N 54 113.794 113.794 112.472 1.322 18679 6721 1 19 . 1 1 54 54 GLY C C 54 175.559 175.559 173.209 2.350 18679 6722 1 19 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.742 -0.215 18679 6723 1 19 . 1 1 54 54 GLY H H 54 7.822 7.822 8.123 -0.301 18679 6724 1 19 . 1 1 55 55 GLN N N 55 121.059 121.059 120.816 0.243 18679 6725 1 19 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.350 0.407 18679 6726 1 19 . 1 1 55 55 GLN C C 55 177.419 177.419 175.506 1.913 18679 6727 1 19 . 1 1 55 55 GLN CA C 55 58.624 58.624 56.495 2.129 18679 6728 1 19 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.253 0.980 18679 6729 1 19 . 1 1 55 55 GLN H H 55 8.685 8.685 8.583 0.102 18679 6730 1 19 . 1 1 56 56 ARG N N 56 116.444 116.444 120.480 -4.036 18679 6731 1 19 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.458 -0.032 18679 6732 1 19 . 1 1 56 56 ARG C C 56 175.110 175.110 176.033 -0.923 18679 6733 1 19 . 1 1 56 56 ARG CA C 56 54.836 54.836 56.091 -1.255 18679 6734 1 19 . 1 1 56 56 ARG CB C 56 30.092 30.092 30.973 -0.881 18679 6735 1 19 . 1 1 56 56 ARG H H 56 8.491 8.491 8.508 -0.017 18679 6736 1 19 . 1 1 57 57 GLY N N 57 107.667 107.667 109.600 -1.933 18679 6737 1 19 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.984 -0.783 18679 6738 1 19 . 1 1 57 57 GLY H H 57 7.316 7.316 7.566 -0.250 18679 6739 1 19 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.523 0.287 18679 6740 1 19 . 1 1 58 58 PRO C C 58 176.345 176.345 175.107 1.238 18679 6741 1 19 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.813 0.305 18679 6742 1 19 . 1 1 58 58 PRO CB C 58 32.517 32.517 31.489 1.028 18679 6743 1 19 . 1 1 59 59 GLN N N 59 121.136 121.136 126.270 -5.134 18679 6744 1 19 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.166 -0.006 18679 6745 1 19 . 1 1 59 59 GLN C C 59 173.910 173.910 174.406 -0.496 18679 6746 1 19 . 1 1 59 59 GLN CA C 59 54.284 54.284 54.083 0.201 18679 6747 1 19 . 1 1 59 59 GLN CB C 59 32.688 32.688 32.218 0.470 18679 6748 1 19 . 1 1 59 59 GLN H H 59 9.086 9.086 8.332 0.754 18679 6749 1 19 . 1 1 60 60 ALA N N 60 123.241 123.241 128.552 -5.311 18679 6750 1 19 . 1 1 60 60 ALA HA H 60 4.878 4.878 5.110 -0.232 18679 6751 1 19 . 1 1 60 60 ALA C C 60 176.210 176.210 175.359 0.851 18679 6752 1 19 . 1 1 60 60 ALA CA C 60 51.216 51.216 50.741 0.475 18679 6753 1 19 . 1 1 60 60 ALA CB C 60 20.271 20.271 20.087 0.184 18679 6754 1 19 . 1 1 60 60 ALA H H 60 8.796 8.796 8.767 0.029 18679 6755 1 19 . 1 1 61 61 ALA N N 61 123.741 123.741 126.325 -2.584 18679 6756 1 19 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.652 0.018 18679 6757 1 19 . 1 1 61 61 ALA C C 61 175.840 175.840 175.534 0.306 18679 6758 1 19 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.492 0.376 18679 6759 1 19 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.975 0.088 18679 6760 1 19 . 1 1 61 61 ALA H H 61 9.165 9.165 8.444 0.721 18679 6761 1 19 . 1 1 62 62 ASN N N 62 118.727 118.727 116.510 2.217 18679 6762 1 19 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.437 -0.187 18679 6763 1 19 . 1 1 62 62 ASN C C 62 178.093 178.093 173.723 4.370 18679 6764 1 19 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.176 -0.209 18679 6765 1 19 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.657 0.572 18679 6766 1 19 . 1 1 62 62 ASN H H 62 9.288 9.288 8.788 0.500 18679 6767 1 19 . 1 1 63 63 VAL N N 63 116.869 116.869 119.775 -2.906 18679 6768 1 19 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.671 -0.288 18679 6769 1 19 . 1 1 63 63 VAL C C 63 175.378 175.378 175.021 0.357 18679 6770 1 19 . 1 1 63 63 VAL CA C 63 63.116 63.116 61.314 1.802 18679 6771 1 19 . 1 1 63 63 VAL CB C 63 31.509 31.509 33.165 -1.656 18679 6772 1 19 . 1 1 63 63 VAL H H 63 8.129 8.129 8.319 -0.190 18679 6773 1 19 . 1 1 64 64 GLN N N 64 127.534 127.534 127.933 -0.399 18679 6774 1 19 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.852 -0.075 18679 6775 1 19 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.725 0.408 18679 6776 1 19 . 1 1 64 64 GLN CB C 64 32.174 32.174 33.722 -1.548 18679 6777 1 19 . 1 1 64 64 GLN H H 64 9.104 9.104 9.201 -0.097 18679 6778 1 19 . 1 1 65 65 LYS N N 65 122.593 122.593 124.562 -1.969 18679 6779 1 19 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.305 -0.010 18679 6780 1 19 . 1 1 65 65 LYS C C 65 175.520 175.520 175.448 0.072 18679 6781 1 19 . 1 1 65 65 LYS CA C 65 57.760 57.760 55.771 1.989 18679 6782 1 19 . 1 1 65 65 LYS CB C 65 32.714 32.714 33.477 -0.763 18679 6783 1 19 . 1 1 65 65 LYS H H 65 8.637 8.637 8.383 0.254 18679 6784 1 20 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.301 0.625 18679 6785 1 20 . 1 1 2 2 GLU C C 2 173.979 173.979 175.517 -1.538 18679 6786 1 20 . 1 1 2 2 GLU CB C 2 26.849 26.849 29.885 -3.036 18679 6787 1 20 . 1 1 3 3 GLN N N 3 116.901 116.901 119.161 -2.260 18679 6788 1 20 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.563 0.587 18679 6789 1 20 . 1 1 3 3 GLN C C 3 175.962 175.962 176.397 -0.435 18679 6790 1 20 . 1 1 3 3 GLN CA C 3 54.124 54.124 56.698 -2.574 18679 6791 1 20 . 1 1 3 3 GLN CB C 3 31.938 31.938 29.119 2.818 18679 6792 1 20 . 1 1 3 3 GLN H H 3 8.202 8.202 7.795 0.407 18679 6793 1 20 . 1 1 4 4 GLY N N 4 108.174 108.174 109.935 -1.761 18679 6794 1 20 . 1 1 4 4 GLY C C 4 172.109 172.109 172.231 -0.122 18679 6795 1 20 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.890 0.724 18679 6796 1 20 . 1 1 4 4 GLY H H 4 8.629 8.629 8.804 -0.175 18679 6797 1 20 . 1 1 5 5 THR N N 5 114.528 114.528 117.950 -3.422 18679 6798 1 20 . 1 1 5 5 THR HA H 5 5.210 5.210 5.152 0.058 18679 6799 1 20 . 1 1 5 5 THR C C 5 173.994 173.994 174.502 -0.508 18679 6800 1 20 . 1 1 5 5 THR CA C 5 60.077 60.077 61.163 -1.086 18679 6801 1 20 . 1 1 5 5 THR CB C 5 71.635 71.635 71.297 0.338 18679 6802 1 20 . 1 1 5 5 THR H H 5 8.417 8.417 8.899 -0.482 18679 6803 1 20 . 1 1 6 6 VAL N N 6 125.816 125.816 128.622 -2.806 18679 6804 1 20 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.804 -0.283 18679 6805 1 20 . 1 1 6 6 VAL C C 6 175.620 175.620 176.569 -0.949 18679 6806 1 20 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.963 1.105 18679 6807 1 20 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.687 0.945 18679 6808 1 20 . 1 1 6 6 VAL H H 6 8.908 8.908 8.513 0.395 18679 6809 1 20 . 1 1 7 7 LYS N N 7 135.919 135.919 128.229 7.690 18679 6810 1 20 . 1 1 7 7 LYS HA H 7 4.214 4.214 3.865 0.349 18679 6811 1 20 . 1 1 7 7 LYS C C 7 175.913 175.913 176.352 -0.439 18679 6812 1 20 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.262 0.492 18679 6813 1 20 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.080 2.012 18679 6814 1 20 . 1 1 7 7 LYS H H 7 9.260 9.260 8.722 0.538 18679 6815 1 20 . 1 1 8 8 TRP N N 8 110.597 110.597 118.628 -8.031 18679 6816 1 20 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.918 -0.351 18679 6817 1 20 . 1 1 8 8 TRP C C 8 173.327 173.327 174.456 -1.129 18679 6818 1 20 . 1 1 8 8 TRP CA C 8 55.871 55.871 55.901 -0.030 18679 6819 1 20 . 1 1 8 8 TRP CB C 8 30.675 30.675 32.019 -1.344 18679 6820 1 20 . 1 1 8 8 TRP H H 8 7.372 7.372 7.664 -0.292 18679 6821 1 20 . 1 1 9 9 PHE N N 9 120.373 120.373 120.925 -0.552 18679 6822 1 20 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.862 -0.682 18679 6823 1 20 . 1 1 9 9 PHE C C 9 172.561 172.561 174.819 -2.258 18679 6824 1 20 . 1 1 9 9 PHE CA C 9 59.110 59.110 55.531 3.579 18679 6825 1 20 . 1 1 9 9 PHE CB C 9 42.287 42.287 39.102 3.185 18679 6826 1 20 . 1 1 9 9 PHE H H 9 9.265 9.265 8.791 0.474 18679 6827 1 20 . 1 1 10 10 ASN N N 10 127.710 127.710 125.782 1.928 18679 6828 1 20 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.587 0.346 18679 6829 1 20 . 1 1 10 10 ASN C C 10 174.373 174.373 174.905 -0.532 18679 6830 1 20 . 1 1 10 10 ASN CA C 10 51.898 51.898 52.479 -0.581 18679 6831 1 20 . 1 1 10 10 ASN CB C 10 38.909 38.909 36.589 2.320 18679 6832 1 20 . 1 1 10 10 ASN H H 10 8.223 8.223 8.430 -0.207 18679 6833 1 20 . 1 1 11 11 ALA N N 11 129.186 129.186 123.726 5.460 18679 6834 1 20 . 1 1 11 11 ALA HA H 11 4.303 4.303 4.088 0.215 18679 6835 1 20 . 1 1 11 11 ALA C C 11 176.087 176.087 178.450 -2.363 18679 6836 1 20 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.712 -0.903 18679 6837 1 20 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.964 -0.263 18679 6838 1 20 . 1 1 11 11 ALA H H 11 9.119 9.119 7.476 1.643 18679 6839 1 20 . 1 1 12 12 GLU N N 12 116.366 116.366 116.253 0.113 18679 6840 1 20 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.065 -0.042 18679 6841 1 20 . 1 1 12 12 GLU C C 12 175.119 175.119 177.268 -2.149 18679 6842 1 20 . 1 1 12 12 GLU CA C 12 58.448 58.448 57.965 0.484 18679 6843 1 20 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.008 0.148 18679 6844 1 20 . 1 1 12 12 GLU H H 12 8.082 8.082 8.494 -0.412 18679 6845 1 20 . 1 1 13 13 LYS N N 13 113.821 113.821 116.638 -2.817 18679 6846 1 20 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.349 -0.037 18679 6847 1 20 . 1 1 13 13 LYS C C 13 177.130 177.130 177.377 -0.247 18679 6848 1 20 . 1 1 13 13 LYS CA C 13 56.812 56.812 56.295 0.517 18679 6849 1 20 . 1 1 13 13 LYS CB C 13 34.614 34.614 34.207 0.407 18679 6850 1 20 . 1 1 13 13 LYS H H 13 7.273 7.273 7.485 -0.212 18679 6851 1 20 . 1 1 14 14 GLY N N 14 105.929 105.929 107.997 -2.068 18679 6852 1 20 . 1 1 14 14 GLY C C 14 172.485 172.485 173.521 -1.036 18679 6853 1 20 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.095 1.659 18679 6854 1 20 . 1 1 14 14 GLY H H 14 8.370 8.370 8.313 0.057 18679 6855 1 20 . 1 1 15 15 PHE N N 15 112.060 112.060 116.143 -4.083 18679 6856 1 20 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.334 -0.520 18679 6857 1 20 . 1 1 15 15 PHE C C 15 171.414 171.414 172.942 -1.528 18679 6858 1 20 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.530 -1.810 18679 6859 1 20 . 1 1 15 15 PHE CB C 15 42.723 42.723 40.254 2.469 18679 6860 1 20 . 1 1 15 15 PHE H H 15 6.572 6.572 7.474 -0.902 18679 6861 1 20 . 1 1 16 16 GLY N N 16 105.419 105.419 104.850 0.569 18679 6862 1 20 . 1 1 16 16 GLY C C 16 173.812 173.812 171.425 2.387 18679 6863 1 20 . 1 1 16 16 GLY CA C 16 44.912 44.912 45.055 -0.143 18679 6864 1 20 . 1 1 16 16 GLY H H 16 7.851 7.851 7.806 0.045 18679 6865 1 20 . 1 1 17 17 PHE N N 17 115.154 115.154 118.592 -3.438 18679 6866 1 20 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.476 -0.468 18679 6867 1 20 . 1 1 17 17 PHE C C 17 174.568 174.568 174.890 -0.322 18679 6868 1 20 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.565 0.159 18679 6869 1 20 . 1 1 17 17 PHE CB C 17 45.189 45.189 43.072 2.117 18679 6870 1 20 . 1 1 17 17 PHE H H 17 7.800 7.800 8.800 -1.000 18679 6871 1 20 . 1 1 18 18 ILE N N 18 122.756 122.756 122.675 0.081 18679 6872 1 20 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.755 -0.694 18679 6873 1 20 . 1 1 18 18 ILE C C 18 174.459 174.459 174.330 0.129 18679 6874 1 20 . 1 1 18 18 ILE CA C 18 60.156 60.156 60.024 0.132 18679 6875 1 20 . 1 1 18 18 ILE CB C 18 41.379 41.379 41.943 -0.564 18679 6876 1 20 . 1 1 18 18 ILE H H 18 9.337 9.337 9.066 0.271 18679 6877 1 20 . 1 1 19 19 GLU N N 19 126.777 126.777 124.807 1.970 18679 6878 1 20 . 1 1 19 19 GLU HA H 19 4.915 4.915 5.031 -0.116 18679 6879 1 20 . 1 1 19 19 GLU C C 19 175.169 175.169 175.323 -0.154 18679 6880 1 20 . 1 1 19 19 GLU CA C 19 54.980 54.980 54.828 0.152 18679 6881 1 20 . 1 1 19 19 GLU CB C 19 32.204 32.204 31.744 0.460 18679 6882 1 20 . 1 1 19 19 GLU H H 19 9.294 9.294 9.070 0.224 18679 6883 1 20 . 1 1 20 20 ARG N N 20 123.573 123.573 124.895 -1.322 18679 6884 1 20 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.792 -0.772 18679 6885 1 20 . 1 1 20 20 ARG C C 20 176.345 176.345 176.864 -0.519 18679 6886 1 20 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.494 0.912 18679 6887 1 20 . 1 1 20 20 ARG CB C 20 33.630 33.630 34.153 -0.523 18679 6888 1 20 . 1 1 20 20 ARG H H 20 9.290 9.290 8.590 0.700 18679 6889 1 20 . 1 1 21 21 GLU N N 21 121.542 121.542 122.532 -0.990 18679 6890 1 20 . 1 1 21 21 GLU HA H 21 4.100 4.100 3.922 0.178 18679 6891 1 20 . 1 1 21 21 GLU C C 21 177.265 177.265 176.995 0.270 18679 6892 1 20 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.467 -0.672 18679 6893 1 20 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.579 0.329 18679 6894 1 20 . 1 1 21 21 GLU H H 21 9.066 9.066 9.002 0.064 18679 6895 1 20 . 1 1 22 22 ASN N N 22 115.336 115.336 118.114 -2.778 18679 6896 1 20 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.746 0.002 18679 6897 1 20 . 1 1 22 22 ASN C C 22 174.806 174.806 174.433 0.373 18679 6898 1 20 . 1 1 22 22 ASN CA C 22 53.129 53.129 53.067 0.062 18679 6899 1 20 . 1 1 22 22 ASN CB C 22 39.020 39.020 37.709 1.311 18679 6900 1 20 . 1 1 22 22 ASN H H 22 8.257 8.257 7.989 0.268 18679 6901 1 20 . 1 1 23 23 GLY N N 23 107.564 107.564 112.727 -5.163 18679 6902 1 20 . 1 1 23 23 GLY C C 23 172.948 172.948 173.999 -1.051 18679 6903 1 20 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.492 -0.796 18679 6904 1 20 . 1 1 23 23 GLY H H 23 7.866 7.866 7.912 -0.046 18679 6905 1 20 . 1 1 24 24 ASP N N 24 120.038 120.038 119.958 0.080 18679 6906 1 20 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.494 0.134 18679 6907 1 20 . 1 1 24 24 ASP C C 24 175.559 175.559 175.126 0.433 18679 6908 1 20 . 1 1 24 24 ASP CA C 24 54.453 54.453 55.371 -0.918 18679 6909 1 20 . 1 1 24 24 ASP CB C 24 41.544 41.544 41.164 0.380 18679 6910 1 20 . 1 1 24 24 ASP H H 24 8.370 8.370 8.662 -0.292 18679 6911 1 20 . 1 1 25 25 ASP N N 25 120.666 120.666 114.751 5.915 18679 6912 1 20 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.699 0.222 18679 6913 1 20 . 1 1 25 25 ASP C C 25 176.258 176.258 176.281 -0.023 18679 6914 1 20 . 1 1 25 25 ASP CA C 25 54.973 54.973 52.854 2.119 18679 6915 1 20 . 1 1 25 25 ASP CB C 25 42.488 42.488 41.157 1.331 18679 6916 1 20 . 1 1 25 25 ASP H H 25 8.698 8.698 7.839 0.859 18679 6917 1 20 . 1 1 26 26 VAL N N 26 120.541 120.541 121.043 -0.502 18679 6918 1 20 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.160 0.186 18679 6919 1 20 . 1 1 26 26 VAL C C 26 174.724 174.724 175.277 -0.553 18679 6920 1 20 . 1 1 26 26 VAL CA C 26 60.847 60.847 64.105 -3.257 18679 6921 1 20 . 1 1 26 26 VAL CB C 26 34.500 34.500 31.134 3.366 18679 6922 1 20 . 1 1 26 26 VAL H H 26 9.365 9.365 7.912 1.453 18679 6923 1 20 . 1 1 27 27 PHE N N 27 130.752 130.752 130.218 0.534 18679 6924 1 20 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.859 -1.329 18679 6925 1 20 . 1 1 27 27 PHE C C 27 172.517 172.517 174.273 -1.756 18679 6926 1 20 . 1 1 27 27 PHE CA C 27 58.978 58.978 57.298 1.680 18679 6927 1 20 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.632 -0.698 18679 6928 1 20 . 1 1 27 27 PHE H H 27 8.335 8.335 8.179 0.156 18679 6929 1 20 . 1 1 28 28 VAL N N 28 124.530 124.530 126.718 -2.188 18679 6930 1 20 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.463 -0.070 18679 6931 1 20 . 1 1 28 28 VAL C C 28 170.556 170.556 173.536 -2.980 18679 6932 1 20 . 1 1 28 28 VAL CA C 28 57.706 57.706 58.613 -0.907 18679 6933 1 20 . 1 1 28 28 VAL CB C 28 34.597 34.597 35.887 -1.290 18679 6934 1 20 . 1 1 28 28 VAL H H 28 7.411 7.411 8.263 -0.852 18679 6935 1 20 . 1 1 29 29 HIS N N 29 127.448 127.448 122.947 4.501 18679 6936 1 20 . 1 1 29 29 HIS HA H 29 4.559 4.559 4.966 -0.407 18679 6937 1 20 . 1 1 29 29 HIS C C 29 177.582 177.582 176.697 0.885 18679 6938 1 20 . 1 1 29 29 HIS CA C 29 55.739 55.739 54.985 0.754 18679 6939 1 20 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.368 1.174 18679 6940 1 20 . 1 1 29 29 HIS H H 29 8.561 8.561 8.235 0.326 18679 6941 1 20 . 1 1 30 30 PHE N N 30 122.691 122.691 121.127 1.564 18679 6942 1 20 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.331 -0.469 18679 6943 1 20 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.685 -0.695 18679 6944 1 20 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.767 -2.288 18679 6945 1 20 . 1 1 30 30 PHE H H 30 7.970 7.970 8.193 -0.223 18679 6946 1 20 . 1 1 31 31 SER N N 31 118.356 118.356 113.809 4.547 18679 6947 1 20 . 1 1 31 31 SER HA H 31 3.858 3.858 4.253 -0.395 18679 6948 1 20 . 1 1 31 31 SER C C 31 175.382 175.382 174.597 0.785 18679 6949 1 20 . 1 1 31 31 SER CA C 31 59.761 59.761 57.456 2.305 18679 6950 1 20 . 1 1 31 31 SER CB C 31 62.630 62.630 62.364 0.266 18679 6951 1 20 . 1 1 31 31 SER H H 31 7.623 7.623 7.619 0.004 18679 6952 1 20 . 1 1 32 32 ALA N N 32 124.536 124.536 123.376 1.160 18679 6953 1 20 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.404 0.001 18679 6954 1 20 . 1 1 32 32 ALA C C 32 177.706 177.706 177.289 0.417 18679 6955 1 20 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.781 -0.397 18679 6956 1 20 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.108 1.065 18679 6957 1 20 . 1 1 32 32 ALA H H 32 7.902 7.902 7.529 0.373 18679 6958 1 20 . 1 1 33 33 ILE N N 33 121.051 121.051 119.759 1.292 18679 6959 1 20 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.877 -0.036 18679 6960 1 20 . 1 1 33 33 ILE C C 33 175.517 175.517 175.712 -0.195 18679 6961 1 20 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.740 0.512 18679 6962 1 20 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.208 -0.224 18679 6963 1 20 . 1 1 33 33 ILE H H 33 7.595 7.595 7.373 0.222 18679 6964 1 20 . 1 1 34 34 GLN N N 34 126.803 126.803 128.182 -1.379 18679 6965 1 20 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.262 -0.007 18679 6966 1 20 . 1 1 34 34 GLN C C 34 176.167 176.167 175.089 1.078 18679 6967 1 20 . 1 1 34 34 GLN CA C 34 55.872 55.872 55.923 -0.051 18679 6968 1 20 . 1 1 34 34 GLN CB C 34 29.510 29.510 29.631 -0.121 18679 6969 1 20 . 1 1 34 34 GLN H H 34 8.714 8.714 8.217 0.497 18679 6970 1 20 . 1 1 35 35 GLY N N 35 110.928 110.928 109.982 0.946 18679 6971 1 20 . 1 1 35 35 GLY C C 35 172.763 172.763 172.946 -0.183 18679 6972 1 20 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.483 0.355 18679 6973 1 20 . 1 1 35 35 GLY H H 35 8.411 8.411 8.017 0.394 18679 6974 1 20 . 1 1 36 36 ASP N N 36 119.994 119.994 124.269 -4.275 18679 6975 1 20 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.468 0.331 18679 6976 1 20 . 1 1 36 36 ASP C C 36 176.584 176.584 177.406 -0.822 18679 6977 1 20 . 1 1 36 36 ASP CA C 36 53.957 53.957 55.452 -1.495 18679 6978 1 20 . 1 1 36 36 ASP CB C 36 42.297 42.297 40.621 1.676 18679 6979 1 20 . 1 1 36 36 ASP H H 36 8.319 8.319 8.537 -0.218 18679 6980 1 20 . 1 1 37 37 GLY N N 37 108.688 108.688 112.902 -4.214 18679 6981 1 20 . 1 1 37 37 GLY C C 37 176.528 176.528 173.537 2.991 18679 6982 1 20 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.474 -0.798 18679 6983 1 20 . 1 1 37 37 GLY H H 37 8.390 8.390 8.412 -0.022 18679 6984 1 20 . 1 1 38 38 PHE N N 38 122.793 122.793 123.024 -0.231 18679 6985 1 20 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.719 0.048 18679 6986 1 20 . 1 1 38 38 PHE C C 38 175.402 175.402 174.595 0.807 18679 6987 1 20 . 1 1 38 38 PHE CA C 38 59.992 59.992 57.898 2.094 18679 6988 1 20 . 1 1 38 38 PHE CB C 38 39.043 39.043 40.267 -1.224 18679 6989 1 20 . 1 1 38 38 PHE H H 38 8.423 8.423 8.149 0.274 18679 6990 1 20 . 1 1 39 39 LYS N N 39 123.349 123.349 125.818 -2.469 18679 6991 1 20 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.574 -0.241 18679 6992 1 20 . 1 1 39 39 LYS C C 39 169.990 169.990 175.407 -5.417 18679 6993 1 20 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.239 0.239 18679 6994 1 20 . 1 1 39 39 LYS CB C 39 32.335 32.335 33.163 -0.827 18679 6995 1 20 . 1 1 39 39 LYS H H 39 8.592 8.592 8.406 0.186 18679 6996 1 20 . 1 1 40 40 SER N N 40 113.941 113.941 118.828 -4.887 18679 6997 1 20 . 1 1 40 40 SER HA H 40 3.673 3.673 4.426 -0.753 18679 6998 1 20 . 1 1 40 40 SER CA C 40 57.015 57.015 57.967 -0.952 18679 6999 1 20 . 1 1 40 40 SER CB C 40 64.589 64.589 63.524 1.065 18679 7000 1 20 . 1 1 40 40 SER H H 40 7.444 7.444 8.469 -1.025 18679 7001 1 20 . 1 1 41 41 LEU N N 41 117.107 117.107 127.072 -9.965 18679 7002 1 20 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.062 0.332 18679 7003 1 20 . 1 1 41 41 LEU C C 41 173.917 173.917 176.343 -2.426 18679 7004 1 20 . 1 1 41 41 LEU CA C 41 52.414 52.414 54.358 -1.944 18679 7005 1 20 . 1 1 41 41 LEU CB C 41 46.815 46.815 42.569 4.246 18679 7006 1 20 . 1 1 41 41 LEU H H 41 5.598 5.598 8.227 -2.629 18679 7007 1 20 . 1 1 42 42 ASP N N 42 118.896 118.896 120.051 -1.155 18679 7008 1 20 . 1 1 42 42 ASP HA H 42 4.894 4.894 3.900 0.994 18679 7009 1 20 . 1 1 42 42 ASP C C 42 175.559 175.559 175.679 -0.120 18679 7010 1 20 . 1 1 42 42 ASP CA C 42 52.777 52.777 53.419 -0.642 18679 7011 1 20 . 1 1 42 42 ASP CB C 42 42.970 42.970 42.015 0.955 18679 7012 1 20 . 1 1 42 42 ASP H H 42 8.156 8.156 8.079 0.077 18679 7013 1 20 . 1 1 43 43 GLU N N 43 121.023 121.023 123.401 -2.378 18679 7014 1 20 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.117 -0.599 18679 7015 1 20 . 1 1 43 43 GLU C C 43 177.211 177.211 176.785 0.426 18679 7016 1 20 . 1 1 43 43 GLU CA C 43 58.444 58.444 57.433 1.011 18679 7017 1 20 . 1 1 43 43 GLU CB C 43 29.531 29.531 29.480 0.051 18679 7018 1 20 . 1 1 43 43 GLU H H 43 8.689 8.689 8.902 -0.213 18679 7019 1 20 . 1 1 44 44 GLY N N 44 113.916 113.916 112.329 1.587 18679 7020 1 20 . 1 1 44 44 GLY C C 44 173.870 173.870 174.136 -0.266 18679 7021 1 20 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.971 0.223 18679 7022 1 20 . 1 1 44 44 GLY H H 44 8.971 8.971 8.996 -0.025 18679 7023 1 20 . 1 1 45 45 GLN N N 45 120.533 120.533 120.820 -0.287 18679 7024 1 20 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.359 -0.182 18679 7025 1 20 . 1 1 45 45 GLN C C 45 175.454 175.454 174.953 0.501 18679 7026 1 20 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.724 1.381 18679 7027 1 20 . 1 1 45 45 GLN CB C 45 30.398 30.398 30.118 0.280 18679 7028 1 20 . 1 1 45 45 GLN H H 45 7.634 7.634 7.592 0.042 18679 7029 1 20 . 1 1 46 46 ALA N N 46 130.118 130.118 129.288 0.830 18679 7030 1 20 . 1 1 46 46 ALA HA H 46 4.933 4.933 4.885 0.048 18679 7031 1 20 . 1 1 46 46 ALA C C 46 178.148 178.148 176.823 1.325 18679 7032 1 20 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.183 1.023 18679 7033 1 20 . 1 1 46 46 ALA CB C 46 18.983 18.983 18.920 0.063 18679 7034 1 20 . 1 1 46 46 ALA H H 46 8.894 8.894 8.573 0.321 18679 7035 1 20 . 1 1 47 47 VAL N N 47 114.581 114.581 118.807 -4.226 18679 7036 1 20 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.670 0.738 18679 7037 1 20 . 1 1 47 47 VAL C C 47 175.654 175.654 174.737 0.917 18679 7038 1 20 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.054 -0.182 18679 7039 1 20 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.074 2.055 18679 7040 1 20 . 1 1 47 47 VAL H H 47 8.591 8.591 9.165 -0.574 18679 7041 1 20 . 1 1 48 48 THR N N 48 113.346 113.346 113.999 -0.653 18679 7042 1 20 . 1 1 48 48 THR HA H 48 5.398 5.398 5.125 0.273 18679 7043 1 20 . 1 1 48 48 THR C C 48 177.527 177.527 174.352 3.175 18679 7044 1 20 . 1 1 48 48 THR CA C 48 60.253 60.253 60.422 -0.169 18679 7045 1 20 . 1 1 48 48 THR CB C 48 71.323 71.323 69.592 1.731 18679 7046 1 20 . 1 1 48 48 THR H H 48 8.943 8.943 8.349 0.594 18679 7047 1 20 . 1 1 49 49 PHE N N 49 116.531 116.531 122.081 -5.550 18679 7048 1 20 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.596 -0.593 18679 7049 1 20 . 1 1 49 49 PHE C C 49 171.900 171.900 173.630 -1.730 18679 7050 1 20 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.757 1.832 18679 7051 1 20 . 1 1 49 49 PHE CB C 49 39.741 39.741 41.764 -2.023 18679 7052 1 20 . 1 1 49 49 PHE H H 49 8.214 8.214 7.864 0.350 18679 7053 1 20 . 1 1 50 50 ASP N N 50 118.134 118.134 119.948 -1.814 18679 7054 1 20 . 1 1 50 50 ASP HA H 50 5.167 5.167 4.898 0.269 18679 7055 1 20 . 1 1 50 50 ASP C C 50 175.559 175.559 174.958 0.601 18679 7056 1 20 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.806 1.165 18679 7057 1 20 . 1 1 50 50 ASP CB C 50 43.986 43.986 43.372 0.614 18679 7058 1 20 . 1 1 50 50 ASP H H 50 8.862 8.862 8.385 0.477 18679 7059 1 20 . 1 1 51 51 VAL N N 51 120.815 120.815 126.071 -5.256 18679 7060 1 20 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.497 0.273 18679 7061 1 20 . 1 1 51 51 VAL C C 51 175.378 175.378 174.828 0.550 18679 7062 1 20 . 1 1 51 51 VAL CA C 51 62.046 62.046 61.987 0.059 18679 7063 1 20 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.947 0.907 18679 7064 1 20 . 1 1 51 51 VAL H H 51 8.700 8.700 8.748 -0.048 18679 7065 1 20 . 1 1 52 52 GLU N N 52 127.575 127.575 130.840 -3.265 18679 7066 1 20 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.479 0.301 18679 7067 1 20 . 1 1 52 52 GLU C C 52 175.436 175.436 175.671 -0.235 18679 7068 1 20 . 1 1 52 52 GLU CA C 52 54.133 54.133 55.294 -1.161 18679 7069 1 20 . 1 1 52 52 GLU CB C 52 32.295 32.295 30.878 1.417 18679 7070 1 20 . 1 1 52 52 GLU H H 52 9.062 9.062 9.142 -0.080 18679 7071 1 20 . 1 1 53 53 GLU N N 53 124.119 124.119 127.939 -3.820 18679 7072 1 20 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.270 -0.010 18679 7073 1 20 . 1 1 53 53 GLU C C 53 176.436 176.436 176.474 -0.038 18679 7074 1 20 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.793 0.624 18679 7075 1 20 . 1 1 53 53 GLU CB C 53 29.392 29.392 28.377 1.015 18679 7076 1 20 . 1 1 53 53 GLU H H 53 8.808 8.808 8.740 0.068 18679 7077 1 20 . 1 1 54 54 GLY N N 54 113.794 113.794 109.911 3.883 18679 7078 1 20 . 1 1 54 54 GLY C C 54 175.559 175.559 174.740 0.819 18679 7079 1 20 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.090 0.437 18679 7080 1 20 . 1 1 54 54 GLY H H 54 7.822 7.822 7.910 -0.088 18679 7081 1 20 . 1 1 55 55 GLN N N 55 121.059 121.059 121.262 -0.203 18679 7082 1 20 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.281 0.476 18679 7083 1 20 . 1 1 55 55 GLN C C 55 177.419 177.419 176.691 0.728 18679 7084 1 20 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.180 1.444 18679 7085 1 20 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.733 0.500 18679 7086 1 20 . 1 1 55 55 GLN H H 55 8.685 8.685 8.856 -0.171 18679 7087 1 20 . 1 1 56 56 ARG N N 56 116.444 116.444 117.914 -1.470 18679 7088 1 20 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.539 -0.113 18679 7089 1 20 . 1 1 56 56 ARG C C 56 175.110 175.110 175.438 -0.328 18679 7090 1 20 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.704 -0.868 18679 7091 1 20 . 1 1 56 56 ARG CB C 56 30.092 30.092 30.857 -0.765 18679 7092 1 20 . 1 1 56 56 ARG H H 56 8.491 8.491 8.315 0.176 18679 7093 1 20 . 1 1 57 57 GLY N N 57 107.667 107.667 109.117 -1.450 18679 7094 1 20 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.225 -0.024 18679 7095 1 20 . 1 1 57 57 GLY H H 57 7.316 7.316 7.481 -0.165 18679 7096 1 20 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.563 0.247 18679 7097 1 20 . 1 1 58 58 PRO C C 58 176.345 176.345 175.656 0.689 18679 7098 1 20 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.799 0.319 18679 7099 1 20 . 1 1 58 58 PRO CB C 58 32.517 32.517 31.962 0.555 18679 7100 1 20 . 1 1 59 59 GLN N N 59 121.136 121.136 123.219 -2.083 18679 7101 1 20 . 1 1 59 59 GLN HA H 59 5.160 5.160 4.932 0.228 18679 7102 1 20 . 1 1 59 59 GLN C C 59 173.910 173.910 174.261 -0.351 18679 7103 1 20 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.876 0.409 18679 7104 1 20 . 1 1 59 59 GLN CB C 59 32.688 32.688 33.971 -1.283 18679 7105 1 20 . 1 1 59 59 GLN H H 59 9.086 9.086 8.734 0.352 18679 7106 1 20 . 1 1 60 60 ALA N N 60 123.241 123.241 122.587 0.654 18679 7107 1 20 . 1 1 60 60 ALA HA H 60 4.878 4.878 5.105 -0.227 18679 7108 1 20 . 1 1 60 60 ALA C C 60 176.210 176.210 175.386 0.824 18679 7109 1 20 . 1 1 60 60 ALA CA C 60 51.216 51.216 50.317 0.899 18679 7110 1 20 . 1 1 60 60 ALA CB C 60 20.271 20.271 20.591 -0.320 18679 7111 1 20 . 1 1 60 60 ALA H H 60 8.796 8.796 8.623 0.173 18679 7112 1 20 . 1 1 61 61 ALA N N 61 123.741 123.741 126.737 -2.996 18679 7113 1 20 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.752 -0.082 18679 7114 1 20 . 1 1 61 61 ALA C C 61 175.840 175.840 175.821 0.019 18679 7115 1 20 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.508 0.360 18679 7116 1 20 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.501 0.562 18679 7117 1 20 . 1 1 61 61 ALA H H 61 9.165 9.165 8.863 0.302 18679 7118 1 20 . 1 1 62 62 ASN N N 62 118.727 118.727 117.691 1.036 18679 7119 1 20 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.348 -0.098 18679 7120 1 20 . 1 1 62 62 ASN C C 62 178.093 178.093 174.095 3.998 18679 7121 1 20 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.312 -0.345 18679 7122 1 20 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.624 0.605 18679 7123 1 20 . 1 1 62 62 ASN H H 62 9.288 9.288 8.710 0.578 18679 7124 1 20 . 1 1 63 63 VAL N N 63 116.869 116.869 121.853 -4.984 18679 7125 1 20 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.251 0.132 18679 7126 1 20 . 1 1 63 63 VAL C C 63 175.378 175.378 174.903 0.475 18679 7127 1 20 . 1 1 63 63 VAL CA C 63 63.116 63.116 62.530 0.586 18679 7128 1 20 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.589 -0.080 18679 7129 1 20 . 1 1 63 63 VAL H H 63 8.129 8.129 8.363 -0.234 18679 7130 1 20 . 1 1 64 64 GLN N N 64 127.534 127.534 128.441 -0.907 18679 7131 1 20 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.620 0.157 18679 7132 1 20 . 1 1 64 64 GLN CA C 64 54.133 54.133 54.411 -0.278 18679 7133 1 20 . 1 1 64 64 GLN CB C 64 32.174 32.174 30.779 1.395 18679 7134 1 20 . 1 1 64 64 GLN H H 64 9.104 9.104 8.860 0.244 18679 7135 1 20 . 1 1 65 65 LYS N N 65 122.593 122.593 119.086 3.507 18679 7136 1 20 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.485 -0.190 18679 7137 1 20 . 1 1 65 65 LYS C C 65 175.520 175.520 175.373 0.147 18679 7138 1 20 . 1 1 65 65 LYS CA C 65 57.760 57.760 54.735 3.025 18679 7139 1 20 . 1 1 65 65 LYS CB C 65 32.714 32.714 34.474 -1.760 18679 7140 1 20 . 1 1 65 65 LYS H H 65 8.637 8.637 8.392 0.245 18679 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 62 3.278 1.124 3.105 18679 2 1 1 "Average Difference" HA 73 0.383 -0.012 0.386 18679 3 1 1 "Average Difference" C 60 1.500 0.146 1.506 18679 4 1 1 "Average Difference" CA 63 1.151 -0.247 1.133 18679 5 1 1 "Average Difference" CB 55 1.413 -0.543 1.316 18679 6 1 1 "Average Difference" HN 62 0.521 -0.111 0.513 18679 7 1 2 "Average Difference" N 62 3.304 1.293 3.065 18679 8 1 2 "Average Difference" HA 73 0.471 0.060 0.470 18679 9 1 2 "Average Difference" C 60 1.529 0.045 1.542 18679 10 1 2 "Average Difference" CA 63 1.262 -0.277 1.241 18679 11 1 2 "Average Difference" CB 55 1.483 -0.375 1.448 18679 12 1 2 "Average Difference" HN 62 0.603 -0.028 0.607 18679 13 1 3 "Average Difference" N 62 3.136 1.215 2.915 18679 14 1 3 "Average Difference" HA 73 0.470 0.034 0.472 18679 15 1 3 "Average Difference" C 60 1.511 0.155 1.516 18679 16 1 3 "Average Difference" CA 63 1.166 -0.337 1.125 18679 17 1 3 "Average Difference" CB 55 1.419 -0.548 1.321 18679 18 1 3 "Average Difference" HN 62 0.609 -0.037 0.613 18679 19 1 4 "Average Difference" N 62 2.866 0.759 2.787 18679 20 1 4 "Average Difference" HA 73 0.465 0.054 0.465 18679 21 1 4 "Average Difference" C 60 1.502 0.133 1.508 18679 22 1 4 "Average Difference" CA 63 1.158 -0.372 1.105 18679 23 1 4 "Average Difference" CB 55 1.403 -0.531 1.311 18679 24 1 4 "Average Difference" HN 62 0.604 -0.084 0.603 18679 25 1 5 "Average Difference" N 62 3.116 1.369 2.822 18679 26 1 5 "Average Difference" HA 73 0.418 0.010 0.421 18679 27 1 5 "Average Difference" C 60 1.528 0.039 1.541 18679 28 1 5 "Average Difference" CA 63 1.151 -0.236 1.136 18679 29 1 5 "Average Difference" CB 55 1.588 -0.462 1.533 18679 30 1 5 "Average Difference" HN 62 0.604 -0.007 0.609 18679 31 1 6 "Average Difference" N 62 3.145 0.522 3.127 18679 32 1 6 "Average Difference" HA 73 0.440 0.044 0.441 18679 33 1 6 "Average Difference" C 60 1.494 0.175 1.496 18679 34 1 6 "Average Difference" CA 63 1.174 -0.238 1.159 18679 35 1 6 "Average Difference" CB 55 1.727 -0.428 1.688 18679 36 1 6 "Average Difference" HN 62 0.553 -0.057 0.555 18679 37 1 7 "Average Difference" N 62 3.130 1.055 2.971 18679 38 1 7 "Average Difference" HA 73 0.441 0.041 0.442 18679 39 1 7 "Average Difference" C 60 1.524 0.024 1.537 18679 40 1 7 "Average Difference" CA 63 1.260 -0.433 1.193 18679 41 1 7 "Average Difference" CB 55 1.634 -0.417 1.594 18679 42 1 7 "Average Difference" HN 62 0.546 -0.056 0.547 18679 43 1 8 "Average Difference" N 62 3.209 1.440 2.891 18679 44 1 8 "Average Difference" HA 73 0.503 0.011 0.507 18679 45 1 8 "Average Difference" C 60 1.528 0.157 1.533 18679 46 1 8 "Average Difference" CA 63 1.143 -0.272 1.119 18679 47 1 8 "Average Difference" CB 55 1.422 -0.574 1.313 18679 48 1 8 "Average Difference" HN 62 0.634 -0.022 0.639 18679 49 1 9 "Average Difference" N 62 3.577 1.666 3.191 18679 50 1 9 "Average Difference" HA 73 0.421 0.058 0.419 18679 51 1 9 "Average Difference" C 60 1.446 0.149 1.451 18679 52 1 9 "Average Difference" CA 63 1.094 -0.215 1.081 18679 53 1 9 "Average Difference" CB 55 1.746 -0.465 1.698 18679 54 1 9 "Average Difference" HN 62 0.558 0.020 0.562 18679 55 1 10 "Average Difference" N 62 3.119 1.067 2.954 18679 56 1 10 "Average Difference" HA 73 0.425 0.030 0.427 18679 57 1 10 "Average Difference" C 60 1.603 0.154 1.609 18679 58 1 10 "Average Difference" CA 63 1.126 -0.230 1.111 18679 59 1 10 "Average Difference" CB 55 1.579 -0.384 1.545 18679 60 1 10 "Average Difference" HN 62 0.609 -0.069 0.610 18679 61 1 11 "Average Difference" N 62 3.426 1.096 3.273 18679 62 1 11 "Average Difference" HA 73 0.400 0.038 0.401 18679 63 1 11 "Average Difference" C 60 1.601 0.159 1.606 18679 64 1 11 "Average Difference" CA 63 1.235 -0.214 1.226 18679 65 1 11 "Average Difference" CB 55 1.564 -0.499 1.496 18679 66 1 11 "Average Difference" HN 62 0.560 -0.020 0.565 18679 67 1 12 "Average Difference" N 62 3.774 1.073 3.648 18679 68 1 12 "Average Difference" HA 73 0.404 0.025 0.406 18679 69 1 12 "Average Difference" C 60 1.528 0.109 1.537 18679 70 1 12 "Average Difference" CA 63 1.191 -0.290 1.164 18679 71 1 12 "Average Difference" CB 55 1.472 -0.526 1.387 18679 72 1 12 "Average Difference" HN 62 0.637 -0.075 0.638 18679 73 1 13 "Average Difference" N 62 3.457 1.260 3.245 18679 74 1 13 "Average Difference" HA 73 0.420 0.012 0.423 18679 75 1 13 "Average Difference" C 60 1.485 0.139 1.491 18679 76 1 13 "Average Difference" CA 63 1.158 -0.321 1.121 18679 77 1 13 "Average Difference" CB 55 1.443 -0.543 1.349 18679 78 1 13 "Average Difference" HN 62 0.568 0.002 0.573 18679 79 1 14 "Average Difference" N 62 3.182 1.047 3.029 18679 80 1 14 "Average Difference" HA 73 0.453 0.011 0.456 18679 81 1 14 "Average Difference" C 60 1.550 0.160 1.555 18679 82 1 14 "Average Difference" CA 63 1.078 -0.230 1.062 18679 83 1 14 "Average Difference" CB 55 1.452 -0.616 1.328 18679 84 1 14 "Average Difference" HN 62 0.594 -0.024 0.598 18679 85 1 15 "Average Difference" N 62 3.324 1.127 3.152 18679 86 1 15 "Average Difference" HA 73 0.436 0.015 0.438 18679 87 1 15 "Average Difference" C 60 1.492 0.193 1.492 18679 88 1 15 "Average Difference" CA 63 1.251 -0.292 1.227 18679 89 1 15 "Average Difference" CB 55 1.385 -0.517 1.296 18679 90 1 15 "Average Difference" HN 62 0.570 -0.042 0.573 18679 91 1 16 "Average Difference" N 62 3.458 1.541 3.120 18679 92 1 16 "Average Difference" HA 73 0.411 0.003 0.413 18679 93 1 16 "Average Difference" C 60 1.502 0.129 1.509 18679 94 1 16 "Average Difference" CA 63 1.109 -0.209 1.098 18679 95 1 16 "Average Difference" CB 55 1.723 -0.508 1.662 18679 96 1 16 "Average Difference" HN 62 0.471 -0.058 0.471 18679 97 1 17 "Average Difference" N 62 3.460 1.301 3.233 18679 98 1 17 "Average Difference" HA 73 0.456 0.028 0.458 18679 99 1 17 "Average Difference" C 60 1.524 0.143 1.530 18679 100 1 17 "Average Difference" CA 63 1.178 -0.264 1.157 18679 101 1 17 "Average Difference" CB 55 1.761 -0.555 1.686 18679 102 1 17 "Average Difference" HN 62 0.543 -0.031 0.547 18679 103 1 18 "Average Difference" N 62 3.358 1.467 3.046 18679 104 1 18 "Average Difference" HA 73 0.487 0.003 0.491 18679 105 1 18 "Average Difference" C 60 1.624 0.249 1.618 18679 106 1 18 "Average Difference" CA 63 1.091 -0.217 1.078 18679 107 1 18 "Average Difference" CB 55 1.426 -0.585 1.313 18679 108 1 18 "Average Difference" HN 62 0.532 -0.031 0.535 18679 109 1 19 "Average Difference" N 62 3.450 1.507 3.128 18679 110 1 19 "Average Difference" HA 73 0.454 0.013 0.457 18679 111 1 19 "Average Difference" C 60 1.563 0.122 1.571 18679 112 1 19 "Average Difference" CA 63 1.212 -0.275 1.190 18679 113 1 19 "Average Difference" CB 55 1.696 -0.477 1.642 18679 114 1 19 "Average Difference" HN 62 0.541 -0.057 0.543 18679 115 1 20 "Average Difference" N 62 3.384 1.036 3.247 18679 116 1 20 "Average Difference" HA 73 0.430 -0.004 0.433 18679 117 1 20 "Average Difference" C 60 1.462 0.149 1.466 18679 118 1 20 "Average Difference" CA 63 1.232 -0.177 1.229 18679 119 1 20 "Average Difference" CB 55 1.511 -0.500 1.439 18679 120 1 20 "Average Difference" HN 62 0.586 -0.052 0.588 18679 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 18679 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU HA H 2 4.926 4.926 4.351 0.575 18679 2 1 . 1 1 2 2 GLU C C 2 173.979 173.979 174.730 -0.751 18679 3 1 . 1 1 2 2 GLU CB C 2 26.849 26.849 30.333 -3.484 18679 4 1 . 1 1 3 3 GLN N N 3 116.901 116.901 121.292 -4.391 18679 5 1 . 1 1 3 3 GLN HA H 3 5.150 5.150 4.797 0.353 18679 6 1 . 1 1 3 3 GLN C C 3 175.962 175.962 175.657 0.305 18679 7 1 . 1 1 3 3 GLN CA C 3 54.124 54.124 54.929 -0.805 18679 8 1 . 1 1 3 3 GLN CB C 3 31.938 31.938 30.445 1.493 18679 9 1 . 1 1 3 3 GLN H H 3 8.202 8.202 8.230 -0.028 18679 10 1 . 1 1 4 4 GLY N N 4 108.174 108.174 111.819 -3.645 18679 11 1 . 1 1 4 4 GLY C C 4 172.109 172.109 172.523 -0.414 18679 12 1 . 1 1 4 4 GLY CA C 4 45.614 45.614 44.648 0.966 18679 13 1 . 1 1 4 4 GLY H H 4 8.629 8.629 9.048 -0.419 18679 14 1 . 1 1 5 5 THR N N 5 114.528 114.528 117.399 -2.871 18679 15 1 . 1 1 5 5 THR HA H 5 5.210 5.210 4.995 0.215 18679 16 1 . 1 1 5 5 THR C C 5 173.994 173.994 174.622 -0.628 18679 17 1 . 1 1 5 5 THR CA C 5 60.077 60.077 61.478 -1.401 18679 18 1 . 1 1 5 5 THR CB C 5 71.635 71.635 70.441 1.194 18679 19 1 . 1 1 5 5 THR H H 5 8.417 8.417 8.227 0.190 18679 20 1 . 1 1 6 6 VAL N N 6 125.816 125.816 127.806 -1.990 18679 21 1 . 1 1 6 6 VAL HA H 6 3.521 3.521 3.849 -0.328 18679 22 1 . 1 1 6 6 VAL C C 6 175.620 175.620 176.175 -0.555 18679 23 1 . 1 1 6 6 VAL CA C 6 65.068 65.068 63.696 1.372 18679 24 1 . 1 1 6 6 VAL CB C 6 31.632 31.632 30.774 0.858 18679 25 1 . 1 1 6 6 VAL H H 6 8.908 8.908 8.851 0.057 18679 26 1 . 1 1 7 7 LYS N N 7 135.919 135.919 128.697 7.222 18679 27 1 . 1 1 7 7 LYS HA H 7 4.214 4.214 4.167 0.047 18679 28 1 . 1 1 7 7 LYS C C 7 175.913 175.913 176.389 -0.476 18679 29 1 . 1 1 7 7 LYS CA C 7 58.754 58.754 58.524 0.231 18679 30 1 . 1 1 7 7 LYS CB C 7 35.092 35.092 33.315 1.777 18679 31 1 . 1 1 7 7 LYS H H 7 9.260 9.260 8.576 0.684 18679 32 1 . 1 1 8 8 TRP N N 8 110.597 110.597 117.689 -7.092 18679 33 1 . 1 1 8 8 TRP HA H 8 4.567 4.567 4.923 -0.356 18679 34 1 . 1 1 8 8 TRP C C 8 173.327 173.327 174.113 -0.786 18679 35 1 . 1 1 8 8 TRP CA C 8 55.871 55.871 56.057 -0.186 18679 36 1 . 1 1 8 8 TRP CB C 8 30.675 30.675 31.551 -0.876 18679 37 1 . 1 1 8 8 TRP H H 8 7.372 7.372 7.667 -0.295 18679 38 1 . 1 1 9 9 PHE N N 9 120.373 120.373 121.639 -1.266 18679 39 1 . 1 1 9 9 PHE HA H 9 4.180 4.180 4.844 -0.664 18679 40 1 . 1 1 9 9 PHE C C 9 172.561 172.561 174.174 -1.613 18679 41 1 . 1 1 9 9 PHE CA C 9 59.110 59.110 56.135 2.975 18679 42 1 . 1 1 9 9 PHE CB C 9 42.287 42.287 40.579 1.708 18679 43 1 . 1 1 9 9 PHE H H 9 9.265 9.265 8.798 0.467 18679 44 1 . 1 1 10 10 ASN N N 10 127.710 127.710 125.973 1.737 18679 45 1 . 1 1 10 10 ASN HA H 10 4.933 4.933 4.633 0.300 18679 46 1 . 1 1 10 10 ASN C C 10 174.373 174.373 174.944 -0.571 18679 47 1 . 1 1 10 10 ASN CA C 10 51.898 51.898 51.932 -0.034 18679 48 1 . 1 1 10 10 ASN CB C 10 38.909 38.909 37.139 1.770 18679 49 1 . 1 1 10 10 ASN H H 10 8.223 8.223 8.386 -0.163 18679 50 1 . 1 1 11 11 ALA N N 11 129.186 129.186 125.913 3.273 18679 51 1 . 1 1 11 11 ALA HA H 11 4.303 4.303 3.827 0.476 18679 52 1 . 1 1 11 11 ALA C C 11 176.087 176.087 178.473 -2.386 18679 53 1 . 1 1 11 11 ALA CA C 11 53.809 53.809 54.654 -0.845 18679 54 1 . 1 1 11 11 ALA CB C 11 18.701 18.701 18.827 -0.126 18679 55 1 . 1 1 11 11 ALA H H 11 9.119 9.119 7.590 1.529 18679 56 1 . 1 1 12 12 GLU N N 12 116.366 116.366 116.698 -0.332 18679 57 1 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.073 -0.050 18679 58 1 . 1 1 12 12 GLU C C 12 175.119 175.119 177.466 -2.347 18679 59 1 . 1 1 12 12 GLU CA C 12 58.448 58.448 58.091 0.357 18679 60 1 . 1 1 12 12 GLU CB C 12 29.156 29.156 29.239 -0.083 18679 61 1 . 1 1 12 12 GLU H H 12 8.082 8.082 8.311 -0.229 18679 62 1 . 1 1 13 13 LYS N N 13 113.821 113.821 116.929 -3.108 18679 63 1 . 1 1 13 13 LYS HA H 13 4.312 4.312 4.360 -0.048 18679 64 1 . 1 1 13 13 LYS C C 13 177.130 177.130 177.214 -0.084 18679 65 1 . 1 1 13 13 LYS CA C 13 56.812 56.812 55.713 1.099 18679 66 1 . 1 1 13 13 LYS CB C 13 34.614 34.614 33.581 1.032 18679 67 1 . 1 1 13 13 LYS H H 13 7.273 7.273 7.418 -0.145 18679 68 1 . 1 1 14 14 GLY N N 14 105.929 105.929 107.865 -1.936 18679 69 1 . 1 1 14 14 GLY C C 14 172.485 172.485 173.072 -0.587 18679 70 1 . 1 1 14 14 GLY CA C 14 46.754 46.754 45.154 1.600 18679 71 1 . 1 1 14 14 GLY H H 14 8.370 8.370 8.181 0.189 18679 72 1 . 1 1 15 15 PHE N N 15 112.060 112.060 115.946 -3.886 18679 73 1 . 1 1 15 15 PHE HA H 15 4.814 4.814 5.318 -0.504 18679 74 1 . 1 1 15 15 PHE C C 15 171.414 171.414 173.050 -1.636 18679 75 1 . 1 1 15 15 PHE CA C 15 53.720 53.720 55.292 -1.572 18679 76 1 . 1 1 15 15 PHE CB C 15 42.723 42.723 41.073 1.650 18679 77 1 . 1 1 15 15 PHE H H 15 6.572 6.572 7.352 -0.780 18679 78 1 . 1 1 16 16 GLY N N 16 105.419 105.419 105.967 -0.548 18679 79 1 . 1 1 16 16 GLY C C 16 173.812 173.812 171.486 2.326 18679 80 1 . 1 1 16 16 GLY CA C 16 44.912 44.912 44.484 0.428 18679 81 1 . 1 1 16 16 GLY H H 16 7.851 7.851 8.137 -0.286 18679 82 1 . 1 1 17 17 PHE N N 17 115.154 115.154 118.501 -3.347 18679 83 1 . 1 1 17 17 PHE HA H 17 5.008 5.008 5.452 -0.444 18679 84 1 . 1 1 17 17 PHE C C 17 174.568 174.568 174.749 -0.181 18679 85 1 . 1 1 17 17 PHE CA C 17 56.724 56.724 56.616 0.108 18679 86 1 . 1 1 17 17 PHE CB C 17 45.189 45.189 42.623 2.566 18679 87 1 . 1 1 17 17 PHE H H 17 7.800 7.800 8.754 -0.954 18679 88 1 . 1 1 18 18 ILE N N 18 122.756 122.756 123.009 -0.253 18679 89 1 . 1 1 18 18 ILE HA H 18 4.061 4.061 4.658 -0.597 18679 90 1 . 1 1 18 18 ILE C C 18 174.459 174.459 175.042 -0.583 18679 91 1 . 1 1 18 18 ILE CA C 18 60.156 60.156 59.948 0.208 18679 92 1 . 1 1 18 18 ILE CB C 18 41.379 41.379 40.752 0.627 18679 93 1 . 1 1 18 18 ILE H H 18 9.337 9.337 8.923 0.414 18679 94 1 . 1 1 19 19 GLU N N 19 126.777 126.777 125.739 1.038 18679 95 1 . 1 1 19 19 GLU HA H 19 4.915 4.915 4.736 0.179 18679 96 1 . 1 1 19 19 GLU C C 19 175.169 175.169 175.140 0.029 18679 97 1 . 1 1 19 19 GLU CA C 19 54.980 54.980 55.392 -0.412 18679 98 1 . 1 1 19 19 GLU CB C 19 32.204 32.204 31.082 1.122 18679 99 1 . 1 1 19 19 GLU H H 19 9.294 9.294 8.771 0.523 18679 100 1 . 1 1 20 20 ARG N N 20 123.573 123.573 124.606 -1.033 18679 101 1 . 1 1 20 20 ARG HA H 20 4.020 4.020 4.717 -0.697 18679 102 1 . 1 1 20 20 ARG C C 20 176.345 176.345 177.462 -1.117 18679 103 1 . 1 1 20 20 ARG CA C 20 55.406 55.406 54.907 0.499 18679 104 1 . 1 1 20 20 ARG CB C 20 33.630 33.630 32.957 0.673 18679 105 1 . 1 1 20 20 ARG H H 20 9.290 9.290 8.420 0.870 18679 106 1 . 1 1 21 21 GLU N N 21 121.542 121.542 123.507 -1.965 18679 107 1 . 1 1 21 21 GLU HA H 21 4.100 4.100 4.053 0.047 18679 108 1 . 1 1 21 21 GLU C C 21 177.265 177.265 176.863 0.402 18679 109 1 . 1 1 21 21 GLU CA C 21 58.795 58.795 59.035 -0.240 18679 110 1 . 1 1 21 21 GLU CB C 21 29.908 29.908 29.128 0.780 18679 111 1 . 1 1 21 21 GLU H H 21 9.066 9.066 9.041 0.025 18679 112 1 . 1 1 22 22 ASN N N 22 115.336 115.336 116.904 -1.568 18679 113 1 . 1 1 22 22 ASN HA H 22 4.748 4.748 4.760 -0.012 18679 114 1 . 1 1 22 22 ASN C C 22 174.806 174.806 175.362 -0.556 18679 115 1 . 1 1 22 22 ASN CA C 22 53.129 53.129 52.980 0.149 18679 116 1 . 1 1 22 22 ASN CB C 22 39.020 39.020 38.643 0.377 18679 117 1 . 1 1 22 22 ASN H H 22 8.257 8.257 8.117 0.140 18679 118 1 . 1 1 23 23 GLY N N 23 107.564 107.564 108.655 -1.091 18679 119 1 . 1 1 23 23 GLY C C 23 172.948 172.948 173.550 -0.602 18679 120 1 . 1 1 23 23 GLY CA C 23 44.696 44.696 45.328 -0.632 18679 121 1 . 1 1 23 23 GLY H H 23 7.866 7.866 7.980 -0.114 18679 122 1 . 1 1 24 24 ASP N N 24 120.038 120.038 121.497 -1.459 18679 123 1 . 1 1 24 24 ASP HA H 24 4.628 4.628 4.568 0.060 18679 124 1 . 1 1 24 24 ASP C C 24 175.559 175.559 175.715 -0.156 18679 125 1 . 1 1 24 24 ASP CA C 24 54.453 54.453 54.127 0.326 18679 126 1 . 1 1 24 24 ASP CB C 24 41.544 41.544 40.718 0.826 18679 127 1 . 1 1 24 24 ASP H H 24 8.370 8.370 8.228 0.142 18679 128 1 . 1 1 25 25 ASP N N 25 120.666 120.666 122.294 -1.628 18679 129 1 . 1 1 25 25 ASP HA H 25 4.921 4.921 4.740 0.181 18679 130 1 . 1 1 25 25 ASP C C 25 176.258 176.258 175.908 0.350 18679 131 1 . 1 1 25 25 ASP CA C 25 54.973 54.973 54.143 0.830 18679 132 1 . 1 1 25 25 ASP CB C 25 42.488 42.488 40.825 1.663 18679 133 1 . 1 1 25 25 ASP H H 25 8.698 8.698 7.951 0.747 18679 134 1 . 1 1 26 26 VAL N N 26 120.541 120.541 122.769 -2.228 18679 135 1 . 1 1 26 26 VAL HA H 26 4.346 4.346 4.213 0.133 18679 136 1 . 1 1 26 26 VAL C C 26 174.724 174.724 175.211 -0.487 18679 137 1 . 1 1 26 26 VAL CA C 26 60.847 60.847 62.087 -1.241 18679 138 1 . 1 1 26 26 VAL CB C 26 34.500 34.500 32.718 1.783 18679 139 1 . 1 1 26 26 VAL H H 26 9.365 9.365 8.779 0.586 18679 140 1 . 1 1 27 27 PHE N N 27 130.752 130.752 129.868 0.884 18679 141 1 . 1 1 27 27 PHE HA H 27 3.530 3.530 4.781 -1.251 18679 142 1 . 1 1 27 27 PHE C C 27 172.517 172.517 174.101 -1.584 18679 143 1 . 1 1 27 27 PHE CA C 27 58.978 58.978 57.001 1.977 18679 144 1 . 1 1 27 27 PHE CB C 27 39.934 39.934 40.206 -0.273 18679 145 1 . 1 1 27 27 PHE H H 27 8.335 8.335 8.757 -0.422 18679 146 1 . 1 1 28 28 VAL N N 28 124.530 124.530 127.391 -2.861 18679 147 1 . 1 1 28 28 VAL HA H 28 4.393 4.393 4.288 0.105 18679 148 1 . 1 1 28 28 VAL C C 28 170.556 170.556 173.548 -2.992 18679 149 1 . 1 1 28 28 VAL CA C 28 57.706 57.706 59.516 -1.810 18679 150 1 . 1 1 28 28 VAL CB C 28 34.597 34.597 34.846 -0.249 18679 151 1 . 1 1 28 28 VAL H H 28 7.411 7.411 8.211 -0.800 18679 152 1 . 1 1 29 29 HIS N N 29 127.448 127.448 124.552 2.896 18679 153 1 . 1 1 29 29 HIS HA H 29 4.559 4.559 5.039 -0.480 18679 154 1 . 1 1 29 29 HIS C C 29 177.582 177.582 176.436 1.146 18679 155 1 . 1 1 29 29 HIS CA C 29 55.739 55.739 54.173 1.566 18679 156 1 . 1 1 29 29 HIS CB C 29 33.542 33.542 32.306 1.237 18679 157 1 . 1 1 29 29 HIS H H 29 8.561 8.561 8.130 0.431 18679 158 1 . 1 1 30 30 PHE N N 30 122.691 122.691 122.062 0.629 18679 159 1 . 1 1 30 30 PHE HA H 30 3.862 3.862 4.265 -0.403 18679 160 1 . 1 1 30 30 PHE CA C 30 59.990 59.990 60.590 -0.600 18679 161 1 . 1 1 30 30 PHE CB C 30 36.480 36.480 38.718 -2.238 18679 162 1 . 1 1 30 30 PHE H H 30 7.970 7.970 8.442 -0.472 18679 163 1 . 1 1 31 31 SER N N 31 118.356 118.356 113.639 4.717 18679 164 1 . 1 1 31 31 SER HA H 31 3.858 3.858 4.163 -0.305 18679 165 1 . 1 1 31 31 SER C C 31 175.382 175.382 174.719 0.663 18679 166 1 . 1 1 31 31 SER CA C 31 59.761 59.761 58.834 0.927 18679 167 1 . 1 1 31 31 SER CB C 31 62.630 62.630 62.936 -0.305 18679 168 1 . 1 1 31 31 SER H H 31 7.623 7.623 7.782 -0.159 18679 169 1 . 1 1 32 32 ALA N N 32 124.536 124.536 122.942 1.594 18679 170 1 . 1 1 32 32 ALA HA H 32 4.405 4.405 4.425 -0.020 18679 171 1 . 1 1 32 32 ALA C C 32 177.706 177.706 176.816 0.890 18679 172 1 . 1 1 32 32 ALA CA C 32 52.384 52.384 52.117 0.267 18679 173 1 . 1 1 32 32 ALA CB C 32 21.173 21.173 20.294 0.880 18679 174 1 . 1 1 32 32 ALA H H 32 7.902 7.902 7.612 0.290 18679 175 1 . 1 1 33 33 ILE N N 33 121.051 121.051 119.983 1.068 18679 176 1 . 1 1 33 33 ILE HA H 33 3.841 3.841 3.922 -0.081 18679 177 1 . 1 1 33 33 ILE C C 33 175.517 175.517 175.388 0.129 18679 178 1 . 1 1 33 33 ILE CA C 33 62.252 62.252 61.341 0.911 18679 179 1 . 1 1 33 33 ILE CB C 33 37.984 37.984 38.546 -0.562 18679 180 1 . 1 1 33 33 ILE H H 33 7.595 7.595 7.438 0.157 18679 181 1 . 1 1 34 34 GLN N N 34 126.803 126.803 124.659 2.144 18679 182 1 . 1 1 34 34 GLN HA H 34 4.255 4.255 4.327 -0.072 18679 183 1 . 1 1 34 34 GLN C C 34 176.167 176.167 175.933 0.234 18679 184 1 . 1 1 34 34 GLN CA C 34 55.872 55.872 55.561 0.311 18679 185 1 . 1 1 34 34 GLN CB C 34 29.510 29.510 28.014 1.496 18679 186 1 . 1 1 34 34 GLN H H 34 8.714 8.714 8.494 0.220 18679 187 1 . 1 1 35 35 GLY N N 35 110.928 110.928 111.352 -0.424 18679 188 1 . 1 1 35 35 GLY C C 35 172.763 172.763 173.286 -0.523 18679 189 1 . 1 1 35 35 GLY CA C 35 44.838 44.838 44.669 0.169 18679 190 1 . 1 1 35 35 GLY H H 35 8.411 8.411 8.271 0.140 18679 191 1 . 1 1 36 36 ASP N N 36 119.994 119.994 122.869 -2.875 18679 192 1 . 1 1 36 36 ASP HA H 36 4.799 4.799 4.560 0.239 18679 193 1 . 1 1 36 36 ASP C C 36 176.584 176.584 176.985 -0.401 18679 194 1 . 1 1 36 36 ASP CA C 36 53.957 53.957 54.213 -0.256 18679 195 1 . 1 1 36 36 ASP CB C 36 42.297 42.297 40.864 1.433 18679 196 1 . 1 1 36 36 ASP H H 36 8.319 8.319 8.055 0.264 18679 197 1 . 1 1 37 37 GLY N N 37 108.688 108.688 113.129 -4.441 18679 198 1 . 1 1 37 37 GLY C C 37 176.528 176.528 173.789 2.740 18679 199 1 . 1 1 37 37 GLY CA C 37 44.676 44.676 45.361 -0.685 18679 200 1 . 1 1 37 37 GLY H H 37 8.390 8.390 8.383 0.007 18679 201 1 . 1 1 38 38 PHE N N 38 122.793 122.793 122.075 0.718 18679 202 1 . 1 1 38 38 PHE HA H 38 4.767 4.767 4.743 0.024 18679 203 1 . 1 1 38 38 PHE C C 38 175.402 175.402 174.855 0.547 18679 204 1 . 1 1 38 38 PHE CA C 38 59.992 59.992 56.998 2.994 18679 205 1 . 1 1 38 38 PHE CB C 38 39.043 39.043 40.298 -1.255 18679 206 1 . 1 1 38 38 PHE H H 38 8.423 8.423 7.915 0.508 18679 207 1 . 1 1 39 39 LYS N N 39 123.349 123.349 124.038 -0.689 18679 208 1 . 1 1 39 39 LYS HA H 39 4.333 4.333 4.503 -0.170 18679 209 1 . 1 1 39 39 LYS C C 39 169.990 169.990 175.777 -5.787 18679 210 1 . 1 1 39 39 LYS CA C 39 55.478 55.478 55.882 -0.403 18679 211 1 . 1 1 39 39 LYS CB C 39 32.335 32.335 32.895 -0.560 18679 212 1 . 1 1 39 39 LYS H H 39 8.592 8.592 8.474 0.118 18679 213 1 . 1 1 40 40 SER N N 40 113.941 113.941 116.699 -2.758 18679 214 1 . 1 1 40 40 SER HA H 40 3.673 3.673 4.501 -0.828 18679 215 1 . 1 1 40 40 SER CA C 40 57.015 57.015 57.493 -0.478 18679 216 1 . 1 1 40 40 SER CB C 40 64.589 64.589 64.448 0.141 18679 217 1 . 1 1 40 40 SER H H 40 7.444 7.444 8.116 -0.672 18679 218 1 . 1 1 41 41 LEU N N 41 117.107 117.107 124.855 -7.748 18679 219 1 . 1 1 41 41 LEU HA H 41 4.394 4.394 4.251 0.143 18679 220 1 . 1 1 41 41 LEU C C 41 173.917 173.917 175.979 -2.062 18679 221 1 . 1 1 41 41 LEU CA C 41 52.414 52.414 53.923 -1.509 18679 222 1 . 1 1 41 41 LEU CB C 41 46.815 46.815 42.516 4.299 18679 223 1 . 1 1 41 41 LEU H H 41 5.598 5.598 7.828 -2.230 18679 224 1 . 1 1 42 42 ASP N N 42 118.896 118.896 122.486 -3.590 18679 225 1 . 1 1 42 42 ASP HA H 42 4.894 4.894 4.505 0.389 18679 226 1 . 1 1 42 42 ASP C C 42 175.559 175.559 175.755 -0.196 18679 227 1 . 1 1 42 42 ASP CA C 42 52.777 52.777 53.875 -1.098 18679 228 1 . 1 1 42 42 ASP CB C 42 42.970 42.970 42.193 0.777 18679 229 1 . 1 1 42 42 ASP H H 42 8.156 8.156 8.205 -0.049 18679 230 1 . 1 1 43 43 GLU N N 43 121.023 121.023 123.382 -2.359 18679 231 1 . 1 1 43 43 GLU HA H 43 3.518 3.518 4.129 -0.611 18679 232 1 . 1 1 43 43 GLU C C 43 177.211 177.211 177.179 0.032 18679 233 1 . 1 1 43 43 GLU CA C 43 58.444 58.444 57.285 1.159 18679 234 1 . 1 1 43 43 GLU CB C 43 29.531 29.531 28.871 0.660 18679 235 1 . 1 1 43 43 GLU H H 43 8.689 8.689 8.744 -0.055 18679 236 1 . 1 1 44 44 GLY N N 44 113.916 113.916 113.200 0.716 18679 237 1 . 1 1 44 44 GLY C C 44 173.870 173.870 173.998 -0.128 18679 238 1 . 1 1 44 44 GLY CA C 44 45.194 45.194 44.796 0.398 18679 239 1 . 1 1 44 44 GLY H H 44 8.971 8.971 8.993 -0.022 18679 240 1 . 1 1 45 45 GLN N N 45 120.533 120.533 121.176 -0.643 18679 241 1 . 1 1 45 45 GLN HA H 45 4.177 4.177 4.372 -0.195 18679 242 1 . 1 1 45 45 GLN C C 45 175.454 175.454 174.569 0.885 18679 243 1 . 1 1 45 45 GLN CA C 45 56.105 56.105 54.646 1.459 18679 244 1 . 1 1 45 45 GLN CB C 45 30.398 30.398 30.076 0.322 18679 245 1 . 1 1 45 45 GLN H H 45 7.634 7.634 7.734 -0.100 18679 246 1 . 1 1 46 46 ALA N N 46 130.118 130.118 129.466 0.652 18679 247 1 . 1 1 46 46 ALA HA H 46 4.933 4.933 5.053 -0.120 18679 248 1 . 1 1 46 46 ALA C C 46 178.148 178.148 176.402 1.746 18679 249 1 . 1 1 46 46 ALA CA C 46 52.206 52.206 51.036 1.170 18679 250 1 . 1 1 46 46 ALA CB C 46 18.983 18.983 19.620 -0.637 18679 251 1 . 1 1 46 46 ALA H H 46 8.894 8.894 8.600 0.294 18679 252 1 . 1 1 47 47 VAL N N 47 114.581 114.581 118.396 -3.815 18679 253 1 . 1 1 47 47 VAL HA H 47 5.408 5.408 4.883 0.525 18679 254 1 . 1 1 47 47 VAL C C 47 175.654 175.654 174.672 0.982 18679 255 1 . 1 1 47 47 VAL CA C 47 58.872 58.872 59.373 -0.501 18679 256 1 . 1 1 47 47 VAL CB C 47 37.129 37.129 35.290 1.839 18679 257 1 . 1 1 47 47 VAL H H 47 8.591 8.591 8.985 -0.394 18679 258 1 . 1 1 48 48 THR N N 48 113.346 113.346 114.478 -1.132 18679 259 1 . 1 1 48 48 THR HA H 48 5.398 5.398 5.224 0.174 18679 260 1 . 1 1 48 48 THR C C 48 177.527 177.527 174.334 3.193 18679 261 1 . 1 1 48 48 THR CA C 48 60.253 60.253 60.020 0.233 18679 262 1 . 1 1 48 48 THR CB C 48 71.323 71.323 69.563 1.760 18679 263 1 . 1 1 48 48 THR H H 48 8.943 8.943 8.609 0.334 18679 264 1 . 1 1 49 49 PHE N N 49 116.531 116.531 121.819 -5.288 18679 265 1 . 1 1 49 49 PHE HA H 49 5.003 5.003 5.754 -0.751 18679 266 1 . 1 1 49 49 PHE C C 49 171.900 171.900 173.694 -1.794 18679 267 1 . 1 1 49 49 PHE CA C 49 56.589 56.589 54.887 1.702 18679 268 1 . 1 1 49 49 PHE CB C 49 39.741 39.741 42.200 -2.459 18679 269 1 . 1 1 49 49 PHE H H 49 8.214 8.214 8.116 0.098 18679 270 1 . 1 1 50 50 ASP N N 50 118.134 118.134 120.365 -2.231 18679 271 1 . 1 1 50 50 ASP HA H 50 5.167 5.167 5.013 0.154 18679 272 1 . 1 1 50 50 ASP C C 50 175.559 175.559 175.394 0.165 18679 273 1 . 1 1 50 50 ASP CA C 50 53.971 53.971 52.880 1.091 18679 274 1 . 1 1 50 50 ASP CB C 50 43.986 43.986 43.537 0.449 18679 275 1 . 1 1 50 50 ASP H H 50 8.862 8.862 8.612 0.250 18679 276 1 . 1 1 51 51 VAL N N 51 120.815 120.815 124.842 -4.027 18679 277 1 . 1 1 51 51 VAL HA H 51 4.770 4.770 4.358 0.412 18679 278 1 . 1 1 51 51 VAL C C 51 175.378 175.378 175.210 0.168 18679 279 1 . 1 1 51 51 VAL CA C 51 62.046 62.046 62.442 -0.396 18679 280 1 . 1 1 51 51 VAL CB C 51 33.854 33.854 32.636 1.218 18679 281 1 . 1 1 51 51 VAL H H 51 8.700 8.700 8.576 0.124 18679 282 1 . 1 1 52 52 GLU N N 52 127.575 127.575 129.613 -2.038 18679 283 1 . 1 1 52 52 GLU HA H 52 4.780 4.780 4.623 0.157 18679 284 1 . 1 1 52 52 GLU C C 52 175.436 175.436 175.321 0.115 18679 285 1 . 1 1 52 52 GLU CA C 52 54.133 54.133 54.682 -0.549 18679 286 1 . 1 1 52 52 GLU CB C 52 32.295 32.295 32.128 0.167 18679 287 1 . 1 1 52 52 GLU H H 52 9.062 9.062 9.034 0.028 18679 288 1 . 1 1 53 53 GLU N N 53 124.119 124.119 124.187 -0.068 18679 289 1 . 1 1 53 53 GLU HA H 53 4.260 4.260 4.640 -0.380 18679 290 1 . 1 1 53 53 GLU C C 53 176.436 176.436 176.004 0.432 18679 291 1 . 1 1 53 53 GLU CA C 53 56.417 56.417 55.605 0.812 18679 292 1 . 1 1 53 53 GLU CB C 53 29.392 29.392 30.473 -1.081 18679 293 1 . 1 1 53 53 GLU H H 53 8.808 8.808 8.710 0.098 18679 294 1 . 1 1 54 54 GLY N N 54 113.794 113.794 111.512 2.282 18679 295 1 . 1 1 54 54 GLY C C 54 175.559 175.559 174.385 1.174 18679 296 1 . 1 1 54 54 GLY CA C 54 44.527 44.527 44.626 -0.099 18679 297 1 . 1 1 54 54 GLY H H 54 7.822 7.822 8.150 -0.328 18679 298 1 . 1 1 55 55 GLN N N 55 121.059 121.059 120.125 0.934 18679 299 1 . 1 1 55 55 GLN HA H 55 4.757 4.757 4.249 0.508 18679 300 1 . 1 1 55 55 GLN C C 55 177.419 177.419 176.554 0.865 18679 301 1 . 1 1 55 55 GLN CA C 55 58.624 58.624 57.367 1.257 18679 302 1 . 1 1 55 55 GLN CB C 55 29.233 29.233 28.614 0.619 18679 303 1 . 1 1 55 55 GLN H H 55 8.685 8.685 8.579 0.106 18679 304 1 . 1 1 56 56 ARG N N 56 116.444 116.444 118.499 -2.055 18679 305 1 . 1 1 56 56 ARG HA H 56 4.426 4.426 4.441 -0.015 18679 306 1 . 1 1 56 56 ARG C C 56 175.110 175.110 175.756 -0.646 18679 307 1 . 1 1 56 56 ARG CA C 56 54.836 54.836 55.797 -0.962 18679 308 1 . 1 1 56 56 ARG CB C 56 30.092 30.092 30.467 -0.375 18679 309 1 . 1 1 56 56 ARG H H 56 8.491 8.491 8.235 0.256 18679 310 1 . 1 1 57 57 GLY N N 57 107.667 107.667 108.849 -1.182 18679 311 1 . 1 1 57 57 GLY CA C 57 44.201 44.201 44.673 -0.472 18679 312 1 . 1 1 57 57 GLY H H 57 7.316 7.316 7.633 -0.317 18679 313 1 . 1 1 58 58 PRO HA H 58 4.810 4.810 4.800 0.010 18679 314 1 . 1 1 58 58 PRO C C 58 176.345 176.345 175.464 0.881 18679 315 1 . 1 1 58 58 PRO CA C 58 63.118 63.118 62.576 0.542 18679 316 1 . 1 1 58 58 PRO CB C 58 32.517 32.517 31.796 0.721 18679 317 1 . 1 1 59 59 GLN N N 59 121.136 121.136 123.761 -2.625 18679 318 1 . 1 1 59 59 GLN HA H 59 5.160 5.160 5.213 -0.053 18679 319 1 . 1 1 59 59 GLN C C 59 173.910 173.910 174.799 -0.889 18679 320 1 . 1 1 59 59 GLN CA C 59 54.284 54.284 53.675 0.609 18679 321 1 . 1 1 59 59 GLN CB C 59 32.688 32.688 31.992 0.696 18679 322 1 . 1 1 59 59 GLN H H 59 9.086 9.086 8.834 0.252 18679 323 1 . 1 1 60 60 ALA N N 60 123.241 123.241 126.708 -3.467 18679 324 1 . 1 1 60 60 ALA HA H 60 4.878 4.878 4.783 0.095 18679 325 1 . 1 1 60 60 ALA C C 60 176.210 176.210 175.461 0.749 18679 326 1 . 1 1 60 60 ALA CA C 60 51.216 51.216 51.115 0.101 18679 327 1 . 1 1 60 60 ALA CB C 60 20.271 20.271 19.627 0.644 18679 328 1 . 1 1 60 60 ALA H H 60 8.796 8.796 8.656 0.140 18679 329 1 . 1 1 61 61 ALA N N 61 123.741 123.741 126.129 -2.388 18679 330 1 . 1 1 61 61 ALA HA H 61 4.670 4.670 4.654 0.016 18679 331 1 . 1 1 61 61 ALA C C 61 175.840 175.840 175.852 -0.012 18679 332 1 . 1 1 61 61 ALA CA C 61 50.868 50.868 50.354 0.514 18679 333 1 . 1 1 61 61 ALA CB C 61 23.063 23.063 22.496 0.567 18679 334 1 . 1 1 61 61 ALA H H 61 9.165 9.165 8.598 0.567 18679 335 1 . 1 1 62 62 ASN N N 62 118.727 118.727 117.119 1.608 18679 336 1 . 1 1 62 62 ASN HA H 62 4.250 4.250 4.384 -0.134 18679 337 1 . 1 1 62 62 ASN C C 62 178.093 178.093 173.873 4.220 18679 338 1 . 1 1 62 62 ASN CA C 62 53.967 53.967 54.086 -0.119 18679 339 1 . 1 1 62 62 ASN CB C 62 37.229 37.229 36.762 0.467 18679 340 1 . 1 1 62 62 ASN H H 62 9.288 9.288 8.740 0.548 18679 341 1 . 1 1 63 63 VAL N N 63 116.869 116.869 121.021 -4.152 18679 342 1 . 1 1 63 63 VAL HA H 63 4.383 4.383 4.360 0.023 18679 343 1 . 1 1 63 63 VAL C C 63 175.378 175.378 175.141 0.237 18679 344 1 . 1 1 63 63 VAL CA C 63 63.116 63.116 61.897 1.219 18679 345 1 . 1 1 63 63 VAL CB C 63 31.509 31.509 31.592 -0.083 18679 346 1 . 1 1 63 63 VAL H H 63 8.129 8.129 8.213 -0.084 18679 347 1 . 1 1 64 64 GLN N N 64 127.534 127.534 127.480 0.054 18679 348 1 . 1 1 64 64 GLN HA H 64 4.777 4.777 4.651 0.126 18679 349 1 . 1 1 64 64 GLN CA C 64 54.133 54.133 53.985 0.148 18679 350 1 . 1 1 64 64 GLN CB C 64 32.174 32.174 31.740 0.434 18679 351 1 . 1 1 64 64 GLN H H 64 9.104 9.104 8.867 0.237 18679 352 1 . 1 1 65 65 LYS N N 65 122.593 122.593 122.564 0.029 18679 353 1 . 1 1 65 65 LYS HA H 65 4.295 4.295 4.290 0.005 18679 354 1 . 1 1 65 65 LYS C C 65 175.520 175.520 175.788 -0.268 18679 355 1 . 1 1 65 65 LYS CA C 65 57.760 57.760 56.297 1.463 18679 356 1 . 1 1 65 65 LYS CB C 65 32.714 32.714 33.151 -0.437 18679 357 1 . 1 1 65 65 LYS H H 65 8.637 8.637 8.546 0.091 18679 stop_ save_