data_18507 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18507 _Entry.PDB_ID 2LU3 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 18507 _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 ALA N N 2 129.609 129.609 122.693 6.916 18507 2 1 1 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.269 -0.933 18507 3 1 1 . 1 1 2 2 ALA C C 2 177.730 177.730 176.728 1.002 18507 4 1 1 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.120 0.470 18507 5 1 1 . 1 1 2 2 ALA CB C 2 19.509 19.509 20.941 -1.432 18507 6 1 1 . 1 1 2 2 ALA H H 2 8.252 8.252 10.401 -2.149 18507 7 1 1 . 1 1 3 3 MET N N 3 119.597 119.597 119.664 -0.067 18507 8 1 1 . 1 1 3 3 MET HA H 3 4.457 4.457 5.390 -0.933 18507 9 1 1 . 1 1 3 3 MET C C 3 176.640 176.640 176.559 0.081 18507 10 1 1 . 1 1 3 3 MET CA C 3 55.433 55.433 55.754 -0.321 18507 11 1 1 . 1 1 3 3 MET CB C 3 32.141 32.141 34.184 -2.043 18507 12 1 1 . 1 1 3 3 MET H H 3 8.526 8.526 10.736 -2.211 18507 13 1 1 . 1 1 4 4 GLY N N 4 110.104 110.104 111.473 -1.369 18507 14 1 1 . 1 1 4 4 GLY C C 4 173.846 173.846 173.120 0.726 18507 15 1 1 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.852 0.437 18507 16 1 1 . 1 1 4 4 GLY H H 4 8.388 8.388 8.752 -0.364 18507 17 1 1 . 1 1 5 5 ILE N N 5 120.177 120.177 116.904 3.273 18507 18 1 1 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.631 -0.489 18507 19 1 1 . 1 1 5 5 ILE C C 5 176.245 176.245 175.644 0.601 18507 20 1 1 . 1 1 5 5 ILE CA C 5 60.706 60.706 59.763 0.943 18507 21 1 1 . 1 1 5 5 ILE CB C 5 38.686 38.686 40.426 -1.740 18507 22 1 1 . 1 1 5 5 ILE H H 5 7.995 7.995 7.906 0.089 18507 23 1 1 . 1 1 6 6 ARG N N 6 125.295 125.295 121.415 3.880 18507 24 1 1 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.436 -0.089 18507 25 1 1 . 1 1 6 6 ARG C C 6 174.908 174.908 176.268 -1.360 18507 26 1 1 . 1 1 6 6 ARG CA C 6 55.812 55.812 56.334 -0.522 18507 27 1 1 . 1 1 6 6 ARG CB C 6 30.829 30.829 31.006 -0.177 18507 28 1 1 . 1 1 6 6 ARG H H 6 8.451 8.451 8.812 -0.361 18507 29 1 1 . 1 1 7 7 ASN N N 7 125.979 125.979 117.439 8.540 18507 30 1 1 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.845 -0.362 18507 31 1 1 . 1 1 7 7 ASN C C 7 175.993 175.993 173.948 2.045 18507 32 1 1 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.593 2.106 18507 33 1 1 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.768 0.976 18507 34 1 1 . 1 1 7 7 ASN H H 7 8.072 8.072 7.903 0.169 18507 35 1 1 . 1 1 8 8 SER N N 8 120.939 120.939 114.312 6.627 18507 36 1 1 . 1 1 8 8 SER C C 8 174.402 174.402 173.512 0.890 18507 37 1 1 . 1 1 8 8 SER CA C 8 58.678 58.678 57.541 1.137 18507 38 1 1 . 1 1 8 8 SER CB C 8 63.735 63.735 65.603 -1.868 18507 39 1 1 . 1 1 8 8 SER H H 8 8.363 8.363 8.621 -0.258 18507 40 1 1 . 1 1 9 9 ASP N N 9 122.169 122.169 120.251 1.918 18507 41 1 1 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.713 -0.101 18507 42 1 1 . 1 1 9 9 ASP C C 9 176.302 176.302 176.864 -0.562 18507 43 1 1 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.432 0.235 18507 44 1 1 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.001 0.091 18507 45 1 1 . 1 1 9 9 ASP H H 9 8.334 8.334 8.475 -0.141 18507 46 1 1 . 1 1 10 10 SER N N 10 115.330 115.330 116.275 -0.945 18507 47 1 1 . 1 1 10 10 SER HA H 10 4.408 4.408 4.568 -0.160 18507 48 1 1 . 1 1 10 10 SER C C 10 174.338 174.338 173.381 0.957 18507 49 1 1 . 1 1 10 10 SER CA C 10 58.421 58.421 58.751 -0.330 18507 50 1 1 . 1 1 10 10 SER CB C 10 63.749 63.749 64.213 -0.464 18507 51 1 1 . 1 1 10 10 SER H H 10 8.130 8.130 8.041 0.089 18507 52 1 1 . 1 1 11 11 VAL N N 11 121.719 121.719 119.451 2.268 18507 53 1 1 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.372 -0.284 18507 54 1 1 . 1 1 11 11 VAL C C 11 175.837 175.837 174.205 1.632 18507 55 1 1 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.282 0.690 18507 56 1 1 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.281 -0.773 18507 57 1 1 . 1 1 11 11 VAL H H 11 8.040 8.040 8.224 -0.184 18507 58 1 1 . 1 1 12 12 LYS N N 12 126.544 126.544 123.581 2.963 18507 59 1 1 . 1 1 12 12 LYS H H 12 8.349 8.349 8.505 -0.156 18507 60 1 1 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.451 0.008 18507 61 1 1 . 1 1 13 13 PRO C C 13 177.038 177.038 177.025 0.013 18507 62 1 1 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.059 -0.190 18507 63 1 1 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.983 0.199 18507 64 1 1 . 1 1 14 14 THR N N 14 114.515 114.515 113.595 0.920 18507 65 1 1 . 1 1 14 14 THR HA H 14 4.255 4.255 4.123 0.132 18507 66 1 1 . 1 1 14 14 THR C C 14 174.477 174.477 175.410 -0.933 18507 67 1 1 . 1 1 14 14 THR CA C 14 61.813 61.813 62.200 -0.387 18507 68 1 1 . 1 1 14 14 THR CB C 14 69.675 69.675 69.680 -0.005 18507 69 1 1 . 1 1 14 14 THR H H 14 8.234 8.234 7.953 0.281 18507 70 1 1 . 1 1 15 15 GLN N N 15 122.586 122.586 119.638 2.948 18507 71 1 1 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.251 0.095 18507 72 1 1 . 1 1 15 15 GLN C C 15 175.452 175.452 176.254 -0.802 18507 73 1 1 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.621 -1.059 18507 74 1 1 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.182 0.353 18507 75 1 1 . 1 1 15 15 GLN H H 15 8.380 8.380 8.453 -0.073 18507 76 1 1 . 1 1 16 16 GLN N N 16 122.137 122.137 118.124 4.013 18507 77 1 1 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.154 0.106 18507 78 1 1 . 1 1 16 16 GLN C C 16 175.050 175.050 174.776 0.274 18507 79 1 1 . 1 1 16 16 GLN CA C 16 55.542 55.542 56.407 -0.865 18507 80 1 1 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.275 0.451 18507 81 1 1 . 1 1 16 16 GLN H H 16 8.457 8.457 8.422 0.035 18507 82 1 1 . 1 1 17 17 ALA N N 17 125.292 125.292 124.003 1.289 18507 83 1 1 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.415 -0.104 18507 84 1 1 . 1 1 17 17 ALA C C 17 176.628 176.628 176.282 0.346 18507 85 1 1 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.694 0.018 18507 86 1 1 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.950 -0.983 18507 87 1 1 . 1 1 17 17 ALA H H 17 8.323 8.323 8.313 0.010 18507 88 1 1 . 1 1 18 18 ARG N N 18 122.106 122.106 121.330 0.776 18507 89 1 1 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.701 -0.080 18507 90 1 1 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.477 -0.251 18507 91 1 1 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.626 0.149 18507 92 1 1 . 1 1 18 18 ARG H H 18 8.591 8.591 8.706 -0.115 18507 93 1 1 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.426 0.158 18507 94 1 1 . 1 1 19 19 PRO C C 19 176.098 176.098 176.243 -0.145 18507 95 1 1 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.499 0.462 18507 96 1 1 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.358 -0.213 18507 97 1 1 . 1 1 20 20 THR N N 20 121.694 121.694 113.715 7.979 18507 98 1 1 . 1 1 20 20 THR HA H 20 4.228 4.228 4.311 -0.083 18507 99 1 1 . 1 1 20 20 THR C C 20 172.413 172.413 174.298 -1.885 18507 100 1 1 . 1 1 20 20 THR CA C 20 62.891 62.891 59.897 2.994 18507 101 1 1 . 1 1 20 20 THR CB C 20 71.036 71.036 69.800 1.236 18507 102 1 1 . 1 1 20 20 THR H H 20 9.046 9.046 8.136 0.910 18507 103 1 1 . 1 1 21 21 VAL N N 21 127.141 127.141 124.920 2.221 18507 104 1 1 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.206 0.341 18507 105 1 1 . 1 1 21 21 VAL C C 21 175.345 175.345 174.436 0.909 18507 106 1 1 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.023 -0.243 18507 107 1 1 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.223 1.036 18507 108 1 1 . 1 1 21 21 VAL H H 21 8.572 8.572 8.336 0.236 18507 109 1 1 . 1 1 22 22 ILE N N 22 130.341 130.341 126.802 3.539 18507 110 1 1 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.501 -0.208 18507 111 1 1 . 1 1 22 22 ILE C C 22 173.794 173.794 174.492 -0.698 18507 112 1 1 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.652 -1.201 18507 113 1 1 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.163 -2.499 18507 114 1 1 . 1 1 22 22 ILE H H 22 8.913 8.913 8.173 0.740 18507 115 1 1 . 1 1 23 23 ARG N N 23 125.596 125.596 125.363 0.233 18507 116 1 1 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.098 0.411 18507 117 1 1 . 1 1 23 23 ARG C C 23 174.125 174.125 174.530 -0.405 18507 118 1 1 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.086 -1.081 18507 119 1 1 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.858 2.726 18507 120 1 1 . 1 1 23 23 ARG H H 23 8.595 8.595 8.686 -0.091 18507 121 1 1 . 1 1 24 24 TRP N N 24 123.124 123.124 127.645 -4.521 18507 122 1 1 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.864 -0.077 18507 123 1 1 . 1 1 24 24 TRP C C 24 177.208 177.208 173.780 3.428 18507 124 1 1 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.245 -0.271 18507 125 1 1 . 1 1 24 24 TRP CB C 24 32.407 32.407 31.796 0.611 18507 126 1 1 . 1 1 24 24 TRP H H 24 9.098 9.098 9.076 0.022 18507 127 1 1 . 1 1 25 25 SER N N 25 123.623 123.623 121.935 1.688 18507 128 1 1 . 1 1 25 25 SER HA H 25 4.827 4.827 4.811 0.016 18507 129 1 1 . 1 1 25 25 SER CA C 25 58.442 58.442 57.264 1.179 18507 130 1 1 . 1 1 25 25 SER CB C 25 63.993 63.993 65.064 -1.071 18507 131 1 1 . 1 1 25 25 SER H H 25 8.837 8.837 8.020 0.817 18507 132 1 1 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.446 -0.305 18507 133 1 1 . 1 1 26 26 GLU C C 26 175.915 175.915 176.267 -0.352 18507 134 1 1 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.491 -1.227 18507 135 1 1 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.507 -1.223 18507 136 1 1 . 1 1 27 27 GLY N N 27 109.186 109.186 107.676 1.510 18507 137 1 1 . 1 1 27 27 GLY C C 27 173.380 173.380 174.715 -1.335 18507 138 1 1 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.192 -0.560 18507 139 1 1 . 1 1 27 27 GLY H H 27 8.434 8.434 8.679 -0.245 18507 140 1 1 . 1 1 28 28 GLY N N 28 106.478 106.478 108.147 -1.669 18507 141 1 1 . 1 1 28 28 GLY C C 28 172.572 172.572 174.370 -1.798 18507 142 1 1 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.061 -0.364 18507 143 1 1 . 1 1 28 28 GLY H H 28 7.948 7.948 7.918 0.030 18507 144 1 1 . 1 1 29 29 LYS N N 29 120.742 120.742 118.904 1.838 18507 145 1 1 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.487 0.128 18507 146 1 1 . 1 1 29 29 LYS C C 29 177.173 177.173 176.188 0.985 18507 147 1 1 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.923 1.028 18507 148 1 1 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.356 0.479 18507 149 1 1 . 1 1 29 29 LYS H H 29 10.077 10.077 8.449 1.628 18507 150 1 1 . 1 1 30 30 GLU N N 30 121.578 121.578 118.849 2.729 18507 151 1 1 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.386 -0.189 18507 152 1 1 . 1 1 30 30 GLU C C 30 173.541 173.541 173.877 -0.336 18507 153 1 1 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.423 0.557 18507 154 1 1 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.854 0.619 18507 155 1 1 . 1 1 30 30 GLU H H 30 8.810 8.810 7.850 0.960 18507 156 1 1 . 1 1 31 31 VAL N N 31 124.182 124.182 122.490 1.692 18507 157 1 1 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.559 -0.019 18507 158 1 1 . 1 1 31 31 VAL C C 31 173.552 173.552 174.176 -0.624 18507 159 1 1 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.474 0.761 18507 160 1 1 . 1 1 31 31 VAL CB C 31 35.261 35.261 32.845 2.416 18507 161 1 1 . 1 1 31 31 VAL H H 31 7.704 7.704 8.304 -0.600 18507 162 1 1 . 1 1 32 32 PHE N N 32 123.930 123.930 125.040 -1.110 18507 163 1 1 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.407 0.160 18507 164 1 1 . 1 1 32 32 PHE C C 32 174.872 174.872 174.420 0.452 18507 165 1 1 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.369 -1.384 18507 166 1 1 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.885 0.464 18507 167 1 1 . 1 1 32 32 PHE H H 32 8.856 8.856 8.145 0.711 18507 168 1 1 . 1 1 33 33 ILE N N 33 116.493 116.493 121.105 -4.612 18507 169 1 1 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.488 -0.008 18507 170 1 1 . 1 1 33 33 ILE C C 33 174.067 174.067 174.153 -0.086 18507 171 1 1 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.184 0.325 18507 172 1 1 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.804 1.490 18507 173 1 1 . 1 1 33 33 ILE H H 33 9.316 9.316 9.159 0.157 18507 174 1 1 . 1 1 34 34 SER N N 34 116.962 116.962 121.429 -4.467 18507 175 1 1 . 1 1 34 34 SER HA H 34 4.496 4.496 4.794 -0.298 18507 176 1 1 . 1 1 34 34 SER C C 34 170.691 170.691 171.981 -1.290 18507 177 1 1 . 1 1 34 34 SER CA C 34 57.343 57.343 57.234 0.109 18507 178 1 1 . 1 1 34 34 SER CB C 34 67.249 67.249 65.305 1.944 18507 179 1 1 . 1 1 34 34 SER H H 34 8.518 8.518 8.587 -0.069 18507 180 1 1 . 1 1 35 35 GLY N N 35 106.806 106.806 109.246 -2.440 18507 181 1 1 . 1 1 35 35 GLY C C 35 172.451 172.451 172.295 0.156 18507 182 1 1 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.469 1.592 18507 183 1 1 . 1 1 35 35 GLY H H 35 7.200 7.200 7.064 0.136 18507 184 1 1 . 1 1 36 36 SER N N 36 115.550 115.550 115.990 -0.440 18507 185 1 1 . 1 1 36 36 SER HA H 36 3.388 3.388 4.292 -0.904 18507 186 1 1 . 1 1 36 36 SER C C 36 177.094 177.094 177.046 0.048 18507 187 1 1 . 1 1 36 36 SER CA C 36 60.882 60.882 60.867 0.015 18507 188 1 1 . 1 1 36 36 SER CB C 36 61.978 61.978 63.475 -1.497 18507 189 1 1 . 1 1 36 36 SER H H 36 8.952 8.952 7.839 1.113 18507 190 1 1 . 1 1 37 37 PHE N N 37 118.633 118.633 118.057 0.576 18507 191 1 1 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.280 0.181 18507 192 1 1 . 1 1 37 37 PHE C C 37 175.254 175.254 175.526 -0.272 18507 193 1 1 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.421 -1.665 18507 194 1 1 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.879 -0.116 18507 195 1 1 . 1 1 37 37 PHE H H 37 6.475 6.475 7.959 -1.484 18507 196 1 1 . 1 1 38 38 ASN N N 38 119.885 119.885 116.173 3.712 18507 197 1 1 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.680 0.260 18507 198 1 1 . 1 1 38 38 ASN C C 38 175.954 175.954 174.964 0.990 18507 199 1 1 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.781 -0.500 18507 200 1 1 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.739 -2.538 18507 201 1 1 . 1 1 38 38 ASN H H 38 6.610 6.610 6.982 -0.372 18507 202 1 1 . 1 1 39 39 ASN N N 39 117.264 117.264 118.476 -1.212 18507 203 1 1 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.479 -0.169 18507 204 1 1 . 1 1 39 39 ASN C C 39 173.171 173.171 174.879 -1.708 18507 205 1 1 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.435 0.353 18507 206 1 1 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.167 -0.173 18507 207 1 1 . 1 1 39 39 ASN H H 39 7.822 7.822 7.845 -0.023 18507 208 1 1 . 1 1 40 40 TRP N N 40 113.463 113.463 113.540 -0.077 18507 209 1 1 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.152 -0.151 18507 210 1 1 . 1 1 40 40 TRP C C 40 177.457 177.457 176.893 0.564 18507 211 1 1 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.985 -0.400 18507 212 1 1 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.380 -1.593 18507 213 1 1 . 1 1 40 40 TRP H H 40 8.300 8.300 7.668 0.632 18507 214 1 1 . 1 1 41 41 SER N N 41 113.321 113.321 114.398 -1.077 18507 215 1 1 . 1 1 41 41 SER HA H 41 4.216 4.216 4.584 -0.368 18507 216 1 1 . 1 1 41 41 SER C C 41 174.913 174.913 173.994 0.919 18507 217 1 1 . 1 1 41 41 SER CA C 41 60.460 60.460 58.800 1.660 18507 218 1 1 . 1 1 41 41 SER CB C 41 64.591 64.591 63.863 0.728 18507 219 1 1 . 1 1 41 41 SER H H 41 7.549 7.549 8.368 -0.819 18507 220 1 1 . 1 1 42 42 THR N N 42 112.097 112.097 114.263 -2.166 18507 221 1 1 . 1 1 42 42 THR HA H 42 4.576 4.576 4.373 0.203 18507 222 1 1 . 1 1 42 42 THR C C 42 174.798 174.798 172.254 2.544 18507 223 1 1 . 1 1 42 42 THR CA C 42 59.920 59.920 61.731 -1.811 18507 224 1 1 . 1 1 42 42 THR CB C 42 71.457 71.457 70.008 1.449 18507 225 1 1 . 1 1 42 42 THR H H 42 7.088 7.088 7.785 -0.697 18507 226 1 1 . 1 1 43 43 LYS N N 43 122.104 122.104 126.769 -4.665 18507 227 1 1 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.728 -0.056 18507 228 1 1 . 1 1 43 43 LYS C C 43 174.839 174.839 176.039 -1.200 18507 229 1 1 . 1 1 43 43 LYS CA C 43 55.293 55.293 55.241 0.052 18507 230 1 1 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.405 -0.067 18507 231 1 1 . 1 1 43 43 LYS H H 43 8.466 8.466 8.351 0.115 18507 232 1 1 . 1 1 44 44 ILE N N 44 128.655 128.655 126.645 2.010 18507 233 1 1 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.552 0.076 18507 234 1 1 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.262 0.310 18507 235 1 1 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.678 1.426 18507 236 1 1 . 1 1 44 44 ILE H H 44 9.596 9.596 9.155 0.441 18507 237 1 1 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.371 -0.066 18507 238 1 1 . 1 1 45 45 PRO C C 45 174.315 174.315 176.079 -1.764 18507 239 1 1 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.559 0.172 18507 240 1 1 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.329 -0.083 18507 241 1 1 . 1 1 46 46 LEU N N 46 122.198 122.198 125.167 -2.969 18507 242 1 1 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.557 -0.044 18507 243 1 1 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.844 1.709 18507 244 1 1 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.925 -0.115 18507 245 1 1 . 1 1 46 46 LEU H H 46 8.157 8.157 7.549 0.608 18507 246 1 1 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.879 0.471 18507 247 1 1 . 1 1 47 47 ILE C C 47 175.903 175.903 176.079 -0.176 18507 248 1 1 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.025 -1.611 18507 249 1 1 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.767 2.629 18507 250 1 1 . 1 1 48 48 LYS N N 48 128.033 128.033 128.946 -0.913 18507 251 1 1 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.859 0.047 18507 252 1 1 . 1 1 48 48 LYS C C 48 176.252 176.252 175.663 0.589 18507 253 1 1 . 1 1 48 48 LYS CA C 48 56.702 56.702 57.053 -0.351 18507 254 1 1 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.597 -0.001 18507 255 1 1 . 1 1 48 48 LYS H H 48 8.661 8.661 8.312 0.349 18507 256 1 1 . 1 1 49 49 SER N N 49 122.194 122.194 118.853 3.341 18507 257 1 1 . 1 1 49 49 SER HA H 49 4.367 4.367 4.688 -0.321 18507 258 1 1 . 1 1 49 49 SER CA C 49 56.282 56.282 56.137 0.145 18507 259 1 1 . 1 1 49 49 SER CB C 49 62.849 62.849 65.693 -2.844 18507 260 1 1 . 1 1 49 49 SER H H 49 8.638 8.638 8.068 0.570 18507 261 1 1 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.296 -0.254 18507 262 1 1 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.101 -0.117 18507 263 1 1 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.838 -1.941 18507 264 1 1 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.343 0.372 18507 265 1 1 . 1 1 51 51 ASN C C 51 174.091 174.091 174.080 0.011 18507 266 1 1 . 1 1 51 51 ASN CA C 51 53.776 53.776 53.504 0.272 18507 267 1 1 . 1 1 51 51 ASN CB C 51 39.134 39.134 38.989 0.145 18507 268 1 1 . 1 1 52 52 ASP N N 52 119.149 119.149 113.351 5.798 18507 269 1 1 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.453 0.509 18507 270 1 1 . 1 1 52 52 ASP C C 52 174.069 174.069 174.274 -0.205 18507 271 1 1 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.240 0.304 18507 272 1 1 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.158 1.397 18507 273 1 1 . 1 1 52 52 ASP H H 52 8.031 8.031 7.426 0.605 18507 274 1 1 . 1 1 53 53 PHE N N 53 118.169 118.169 117.584 0.585 18507 275 1 1 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.790 0.360 18507 276 1 1 . 1 1 53 53 PHE C C 53 175.583 175.583 176.062 -0.479 18507 277 1 1 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.449 -1.077 18507 278 1 1 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.538 1.353 18507 279 1 1 . 1 1 53 53 PHE H H 53 8.534 8.534 8.762 -0.228 18507 280 1 1 . 1 1 54 54 VAL N N 54 118.983 118.983 112.847 6.136 18507 281 1 1 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.924 0.401 18507 282 1 1 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.595 0.539 18507 283 1 1 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.367 0.382 18507 284 1 1 . 1 1 54 54 VAL H H 54 9.324 9.324 8.049 1.275 18507 285 1 1 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.799 -0.092 18507 286 1 1 . 1 1 55 55 ALA C C 55 174.786 174.786 175.509 -0.723 18507 287 1 1 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.542 0.345 18507 288 1 1 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.521 -0.833 18507 289 1 1 . 1 1 56 56 ILE N N 56 120.457 120.457 120.359 0.098 18507 290 1 1 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.374 0.178 18507 291 1 1 . 1 1 56 56 ILE C C 56 175.419 175.419 174.451 0.968 18507 292 1 1 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.958 0.964 18507 293 1 1 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.131 0.360 18507 294 1 1 . 1 1 56 56 ILE H H 56 8.239 8.239 8.640 -0.401 18507 295 1 1 . 1 1 57 57 LEU N N 57 127.392 127.392 121.974 5.418 18507 296 1 1 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.639 -0.133 18507 297 1 1 . 1 1 57 57 LEU C C 57 175.108 175.108 175.218 -0.110 18507 298 1 1 . 1 1 57 57 LEU CA C 57 52.742 52.742 53.568 -0.826 18507 299 1 1 . 1 1 57 57 LEU CB C 57 45.170 45.170 45.241 -0.071 18507 300 1 1 . 1 1 57 57 LEU H H 57 8.828 8.828 7.811 1.017 18507 301 1 1 . 1 1 58 58 ASP N N 58 124.255 124.255 119.572 4.683 18507 302 1 1 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.777 -0.149 18507 303 1 1 . 1 1 58 58 ASP C C 58 175.066 175.066 175.960 -0.894 18507 304 1 1 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.082 -1.141 18507 305 1 1 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.387 -0.680 18507 306 1 1 . 1 1 58 58 ASP H H 58 8.571 8.571 8.023 0.548 18507 307 1 1 . 1 1 59 59 LEU N N 59 124.092 124.092 124.337 -0.245 18507 308 1 1 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.771 -0.236 18507 309 1 1 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.283 -0.410 18507 310 1 1 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.481 -0.447 18507 311 1 1 . 1 1 59 59 LEU H H 59 7.681 7.681 7.896 -0.215 18507 312 1 1 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.506 0.095 18507 313 1 1 . 1 1 60 60 PRO C C 60 175.599 175.599 176.072 -0.473 18507 314 1 1 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.096 -0.615 18507 315 1 1 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.694 -0.026 18507 316 1 1 . 1 1 61 61 GLU N N 61 119.164 119.164 121.741 -2.577 18507 317 1 1 . 1 1 61 61 GLU HA H 61 3.859 3.859 4.044 -0.185 18507 318 1 1 . 1 1 61 61 GLU C C 61 176.121 176.121 175.859 0.262 18507 319 1 1 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.590 -0.133 18507 320 1 1 . 1 1 61 61 GLU CB C 61 30.249 30.249 28.832 1.417 18507 321 1 1 . 1 1 61 61 GLU H H 61 8.500 8.500 8.670 -0.170 18507 322 1 1 . 1 1 62 62 GLY N N 62 111.529 111.529 113.997 -2.468 18507 323 1 1 . 1 1 62 62 GLY C C 62 171.313 171.313 171.309 0.004 18507 324 1 1 . 1 1 62 62 GLY CA C 62 43.469 43.469 44.931 -1.462 18507 325 1 1 . 1 1 62 62 GLY H H 62 8.845 8.845 7.798 1.047 18507 326 1 1 . 1 1 63 63 GLU N N 63 119.100 119.100 121.615 -2.515 18507 327 1 1 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.844 -0.062 18507 328 1 1 . 1 1 63 63 GLU C C 63 175.530 175.530 175.305 0.225 18507 329 1 1 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.505 0.473 18507 330 1 1 . 1 1 63 63 GLU CB C 63 31.383 31.383 31.239 0.144 18507 331 1 1 . 1 1 63 63 GLU H H 63 8.015 8.015 8.377 -0.362 18507 332 1 1 . 1 1 64 64 HIS N N 64 121.786 121.786 123.309 -1.523 18507 333 1 1 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.098 -0.281 18507 334 1 1 . 1 1 64 64 HIS C C 64 174.358 174.358 173.691 0.667 18507 335 1 1 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.513 0.457 18507 336 1 1 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.538 0.571 18507 337 1 1 . 1 1 64 64 HIS H H 64 8.830 8.830 8.816 0.014 18507 338 1 1 . 1 1 65 65 GLN N N 65 121.667 121.667 118.503 3.164 18507 339 1 1 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.931 0.830 18507 340 1 1 . 1 1 65 65 GLN C C 65 175.833 175.833 174.412 1.421 18507 341 1 1 . 1 1 65 65 GLN CA C 65 53.833 53.833 54.983 -1.149 18507 342 1 1 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.996 0.269 18507 343 1 1 . 1 1 65 65 GLN H H 65 8.637 8.637 8.588 0.049 18507 344 1 1 . 1 1 66 66 TYR N N 66 116.908 116.908 120.341 -3.433 18507 345 1 1 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.343 -0.168 18507 346 1 1 . 1 1 66 66 TYR C C 66 171.751 171.751 173.917 -2.166 18507 347 1 1 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.755 2.228 18507 348 1 1 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.664 -0.935 18507 349 1 1 . 1 1 66 66 TYR H H 66 8.894 8.894 7.624 1.270 18507 350 1 1 . 1 1 67 67 LYS N N 67 118.307 118.307 117.993 0.314 18507 351 1 1 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.690 -0.057 18507 352 1 1 . 1 1 67 67 LYS C C 67 173.317 173.317 174.974 -1.657 18507 353 1 1 . 1 1 67 67 LYS CA C 67 56.876 56.876 55.002 1.874 18507 354 1 1 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.880 0.320 18507 355 1 1 . 1 1 67 67 LYS H H 67 8.927 8.927 8.529 0.398 18507 356 1 1 . 1 1 68 68 PHE N N 68 118.691 118.691 122.350 -3.659 18507 357 1 1 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.274 0.257 18507 358 1 1 . 1 1 68 68 PHE C C 68 173.861 173.861 175.591 -1.730 18507 359 1 1 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.447 0.501 18507 360 1 1 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.096 0.176 18507 361 1 1 . 1 1 68 68 PHE H H 68 8.436 8.436 8.282 0.154 18507 362 1 1 . 1 1 69 69 PHE N N 69 125.718 125.718 123.525 2.193 18507 363 1 1 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.931 -0.208 18507 364 1 1 . 1 1 69 69 PHE C C 69 174.574 174.574 173.157 1.417 18507 365 1 1 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.729 -0.893 18507 366 1 1 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.689 -0.533 18507 367 1 1 . 1 1 69 69 PHE H H 69 9.000 9.000 8.506 0.494 18507 368 1 1 . 1 1 70 70 VAL N N 70 126.808 126.808 125.565 1.243 18507 369 1 1 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.631 -0.308 18507 370 1 1 . 1 1 70 70 VAL C C 70 175.641 175.641 175.671 -0.030 18507 371 1 1 . 1 1 70 70 VAL CA C 70 60.508 60.508 58.845 1.663 18507 372 1 1 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.345 -0.875 18507 373 1 1 . 1 1 70 70 VAL H H 70 8.688 8.688 7.963 0.725 18507 374 1 1 . 1 1 71 71 ASP N N 71 128.747 128.747 126.407 2.340 18507 375 1 1 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.168 0.067 18507 376 1 1 . 1 1 71 71 ASP C C 71 176.119 176.119 176.136 -0.017 18507 377 1 1 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.866 0.783 18507 378 1 1 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.344 -0.715 18507 379 1 1 . 1 1 71 71 ASP H H 71 8.890 8.890 9.137 -0.247 18507 380 1 1 . 1 1 72 72 GLY N N 72 100.856 100.856 103.740 -2.884 18507 381 1 1 . 1 1 72 72 GLY C C 72 173.149 173.149 173.193 -0.044 18507 382 1 1 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.174 0.081 18507 383 1 1 . 1 1 72 72 GLY H H 72 7.437 7.437 8.341 -0.904 18507 384 1 1 . 1 1 73 73 GLN N N 73 117.716 117.716 114.086 3.630 18507 385 1 1 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.330 0.150 18507 386 1 1 . 1 1 73 73 GLN C C 73 173.981 173.981 173.071 0.910 18507 387 1 1 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.055 0.230 18507 388 1 1 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.618 1.292 18507 389 1 1 . 1 1 73 73 GLN H H 73 6.923 6.923 6.495 0.428 18507 390 1 1 . 1 1 74 74 TRP N N 74 123.738 123.738 122.343 1.395 18507 391 1 1 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.194 0.619 18507 392 1 1 . 1 1 74 74 TRP C C 74 177.239 177.239 176.901 0.338 18507 393 1 1 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.548 -0.760 18507 394 1 1 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.894 0.024 18507 395 1 1 . 1 1 74 74 TRP H H 74 8.836 8.836 8.729 0.107 18507 396 1 1 . 1 1 75 75 VAL N N 75 121.900 121.900 118.655 3.245 18507 397 1 1 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.595 0.391 18507 398 1 1 . 1 1 75 75 VAL C C 75 172.903 172.903 173.994 -1.091 18507 399 1 1 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.162 1.463 18507 400 1 1 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.244 1.410 18507 401 1 1 . 1 1 75 75 VAL H H 75 10.049 10.049 8.703 1.346 18507 402 1 1 . 1 1 76 76 HIS N N 76 119.400 119.400 115.804 3.596 18507 403 1 1 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.269 0.309 18507 404 1 1 . 1 1 76 76 HIS C C 76 173.084 173.084 173.754 -0.670 18507 405 1 1 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.339 -0.079 18507 406 1 1 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.648 0.159 18507 407 1 1 . 1 1 76 76 HIS H H 76 7.758 7.758 8.081 -0.323 18507 408 1 1 . 1 1 77 77 ASP N N 77 121.057 121.057 121.772 -0.715 18507 409 1 1 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.209 -0.105 18507 410 1 1 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.747 -0.283 18507 411 1 1 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.599 -0.330 18507 412 1 1 . 1 1 77 77 ASP H H 77 10.717 10.717 8.825 1.892 18507 413 1 1 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.579 -0.044 18507 414 1 1 . 1 1 78 78 PRO C C 78 177.387 177.387 177.367 0.020 18507 415 1 1 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.286 -0.689 18507 416 1 1 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.309 0.016 18507 417 1 1 . 1 1 79 79 SER N N 79 116.058 116.058 112.928 3.130 18507 418 1 1 . 1 1 79 79 SER HA H 79 4.477 4.477 4.437 0.040 18507 419 1 1 . 1 1 79 79 SER C C 79 173.819 173.819 175.110 -1.291 18507 420 1 1 . 1 1 79 79 SER CA C 79 59.369 59.369 59.648 -0.279 18507 421 1 1 . 1 1 79 79 SER CB C 79 63.875 63.875 63.266 0.609 18507 422 1 1 . 1 1 79 79 SER H H 79 8.853 8.853 8.483 0.370 18507 423 1 1 . 1 1 80 80 GLU N N 80 122.620 122.620 120.632 1.988 18507 424 1 1 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.748 0.211 18507 425 1 1 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.948 -0.547 18507 426 1 1 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.021 0.599 18507 427 1 1 . 1 1 80 80 GLU H H 80 7.332 7.332 7.399 -0.067 18507 428 1 1 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.485 -0.046 18507 429 1 1 . 1 1 81 81 PRO C C 81 177.020 177.020 175.984 1.036 18507 430 1 1 . 1 1 81 81 PRO CA C 81 63.696 63.696 62.936 0.760 18507 431 1 1 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.287 -2.067 18507 432 1 1 . 1 1 82 82 VAL N N 82 114.720 114.720 117.438 -2.718 18507 433 1 1 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.937 0.530 18507 434 1 1 . 1 1 82 82 VAL C C 82 175.787 175.787 174.840 0.947 18507 435 1 1 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.605 -1.006 18507 436 1 1 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.626 3.132 18507 437 1 1 . 1 1 82 82 VAL H H 82 8.221 8.221 8.002 0.219 18507 438 1 1 . 1 1 83 83 VAL N N 83 117.999 117.999 121.833 -3.834 18507 439 1 1 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.506 -0.096 18507 440 1 1 . 1 1 83 83 VAL C C 83 173.384 173.384 174.409 -1.025 18507 441 1 1 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.435 -0.902 18507 442 1 1 . 1 1 83 83 VAL CB C 83 35.305 35.305 35.417 -0.112 18507 443 1 1 . 1 1 83 83 VAL H H 83 8.898 8.898 8.897 0.001 18507 444 1 1 . 1 1 84 84 THR N N 84 120.469 120.469 123.069 -2.600 18507 445 1 1 . 1 1 84 84 THR HA H 84 4.751 4.751 4.441 0.310 18507 446 1 1 . 1 1 84 84 THR C C 84 174.975 174.975 173.981 0.994 18507 447 1 1 . 1 1 84 84 THR CA C 84 61.446 61.446 62.547 -1.101 18507 448 1 1 . 1 1 84 84 THR CB C 84 68.959 68.959 68.404 0.555 18507 449 1 1 . 1 1 84 84 THR H H 84 8.309 8.309 8.310 -0.001 18507 450 1 1 . 1 1 85 85 SER N N 85 123.544 123.544 121.773 1.771 18507 451 1 1 . 1 1 85 85 SER HA H 85 4.533 4.533 4.191 0.342 18507 452 1 1 . 1 1 85 85 SER CA C 85 57.027 57.027 57.807 -0.780 18507 453 1 1 . 1 1 85 85 SER CB C 85 65.264 65.264 64.457 0.807 18507 454 1 1 . 1 1 85 85 SER H H 85 9.137 9.137 8.502 0.635 18507 455 1 1 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.161 -0.069 18507 456 1 1 . 1 1 86 86 GLN C C 86 176.451 176.451 176.000 0.451 18507 457 1 1 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.010 0.061 18507 458 1 1 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.296 -0.161 18507 459 1 1 . 1 1 87 87 LEU N N 87 117.032 117.032 119.485 -2.453 18507 460 1 1 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.472 -0.213 18507 461 1 1 . 1 1 87 87 LEU C C 87 177.470 177.470 177.389 0.081 18507 462 1 1 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.253 0.397 18507 463 1 1 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.866 0.810 18507 464 1 1 . 1 1 87 87 LEU H H 87 7.692 7.692 7.707 -0.015 18507 465 1 1 . 1 1 88 88 GLY N N 88 107.770 107.770 108.546 -0.776 18507 466 1 1 . 1 1 88 88 GLY C C 88 174.029 174.029 174.236 -0.207 18507 467 1 1 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.867 -0.605 18507 468 1 1 . 1 1 88 88 GLY H H 88 7.932 7.932 8.011 -0.079 18507 469 1 1 . 1 1 89 89 THR N N 89 112.596 112.596 113.617 -1.021 18507 470 1 1 . 1 1 89 89 THR HA H 89 4.259 4.259 4.531 -0.272 18507 471 1 1 . 1 1 89 89 THR C C 89 172.837 172.837 174.676 -1.839 18507 472 1 1 . 1 1 89 89 THR CA C 89 60.743 60.743 60.129 0.614 18507 473 1 1 . 1 1 89 89 THR CB C 89 69.845 69.845 69.662 0.183 18507 474 1 1 . 1 1 89 89 THR H H 89 7.148 7.148 7.339 -0.191 18507 475 1 1 . 1 1 90 90 ILE N N 90 123.927 123.927 127.898 -3.971 18507 476 1 1 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.218 0.192 18507 477 1 1 . 1 1 90 90 ILE C C 90 175.007 175.007 175.296 -0.289 18507 478 1 1 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.811 -0.260 18507 479 1 1 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.557 2.378 18507 480 1 1 . 1 1 90 90 ILE H H 90 8.514 8.514 8.840 -0.326 18507 481 1 1 . 1 1 91 91 ASN N N 91 123.450 123.450 123.298 0.152 18507 482 1 1 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.951 0.336 18507 483 1 1 . 1 1 91 91 ASN C C 91 175.916 175.916 173.627 2.289 18507 484 1 1 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.616 -0.640 18507 485 1 1 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.276 0.900 18507 486 1 1 . 1 1 91 91 ASN H H 91 8.497 8.497 8.721 -0.224 18507 487 1 1 . 1 1 92 92 ASN N N 92 115.675 115.675 117.494 -1.819 18507 488 1 1 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.614 0.997 18507 489 1 1 . 1 1 92 92 ASN C C 92 173.765 173.765 173.599 0.166 18507 490 1 1 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.861 0.951 18507 491 1 1 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.139 2.603 18507 492 1 1 . 1 1 92 92 ASN H H 92 8.721 8.721 8.409 0.312 18507 493 1 1 . 1 1 93 93 LEU N N 93 120.001 120.001 119.504 0.497 18507 494 1 1 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.729 0.608 18507 495 1 1 . 1 1 93 93 LEU C C 93 175.864 175.864 174.875 0.989 18507 496 1 1 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.263 -0.741 18507 497 1 1 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.572 1.551 18507 498 1 1 . 1 1 93 93 LEU H H 93 7.661 7.661 8.217 -0.556 18507 499 1 1 . 1 1 94 94 ILE N N 94 124.682 124.682 124.218 0.464 18507 500 1 1 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.562 0.285 18507 501 1 1 . 1 1 94 94 ILE C C 94 172.078 172.078 173.111 -1.033 18507 502 1 1 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.156 -0.805 18507 503 1 1 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.523 -0.432 18507 504 1 1 . 1 1 94 94 ILE H H 94 9.282 9.282 9.125 0.157 18507 505 1 1 . 1 1 95 95 HIS N N 95 126.782 126.782 126.093 0.689 18507 506 1 1 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.149 -0.039 18507 507 1 1 . 1 1 95 95 HIS C C 95 174.655 174.655 174.384 0.271 18507 508 1 1 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.610 -0.276 18507 509 1 1 . 1 1 95 95 HIS CB C 95 31.399 31.399 31.116 0.283 18507 510 1 1 . 1 1 95 95 HIS H H 95 8.690 8.690 8.516 0.174 18507 511 1 1 . 1 1 96 96 VAL N N 96 128.616 128.616 124.563 4.053 18507 512 1 1 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.370 -0.255 18507 513 1 1 . 1 1 96 96 VAL C C 96 175.515 175.515 175.473 0.042 18507 514 1 1 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.089 1.413 18507 515 1 1 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.166 -0.834 18507 516 1 1 . 1 1 96 96 VAL H H 96 9.082 9.082 9.190 -0.108 18507 517 1 1 . 1 1 97 97 LYS N N 97 128.692 128.692 124.790 3.902 18507 518 1 1 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.700 -0.150 18507 519 1 1 . 1 1 97 97 LYS C C 97 176.019 176.019 175.159 0.860 18507 520 1 1 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.240 0.851 18507 521 1 1 . 1 1 97 97 LYS CB C 97 34.588 34.588 34.552 0.036 18507 522 1 1 . 1 1 97 97 LYS H H 97 8.708 8.708 8.514 0.194 18507 523 1 1 . 1 1 98 98 LYS N N 98 122.635 122.635 118.508 4.127 18507 524 1 1 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.590 -0.468 18507 525 1 1 . 1 1 98 98 LYS C C 98 176.947 176.947 175.742 1.205 18507 526 1 1 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.611 1.621 18507 527 1 1 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.705 -0.856 18507 528 1 1 . 1 1 98 98 LYS H H 98 8.717 8.717 8.556 0.161 18507 529 1 1 . 1 1 99 99 SER N N 99 116.737 116.737 113.706 3.031 18507 530 1 1 . 1 1 99 99 SER HA H 99 4.357 4.357 4.415 -0.058 18507 531 1 1 . 1 1 99 99 SER C C 99 174.335 174.335 174.363 -0.028 18507 532 1 1 . 1 1 99 99 SER CA C 99 58.240 58.240 57.584 0.656 18507 533 1 1 . 1 1 99 99 SER CB C 99 63.664 63.664 63.637 0.027 18507 534 1 1 . 1 1 99 99 SER H H 99 8.393 8.393 8.534 -0.141 18507 535 1 1 . 1 1 100 100 ASP N N 100 122.287 122.287 121.955 0.332 18507 536 1 1 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.563 -0.037 18507 537 1 1 . 1 1 100 100 ASP C C 100 175.823 175.823 176.822 -0.999 18507 538 1 1 . 1 1 100 100 ASP CA C 100 54.813 54.813 55.336 -0.523 18507 539 1 1 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.084 -0.146 18507 540 1 1 . 1 1 100 100 ASP H H 100 8.288 8.288 8.429 -0.141 18507 541 1 1 . 1 1 101 101 PHE N N 101 118.668 118.668 113.439 5.229 18507 542 1 1 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.709 -0.134 18507 543 1 1 . 1 1 101 101 PHE C C 101 175.279 175.279 176.220 -0.941 18507 544 1 1 . 1 1 101 101 PHE CA C 101 57.462 57.462 58.594 -1.132 18507 545 1 1 . 1 1 101 101 PHE CB C 101 39.557 39.557 39.517 0.040 18507 546 1 1 . 1 1 101 101 PHE H H 101 7.923 7.923 7.519 0.404 18507 547 1 1 . 1 1 102 102 GLU N N 102 122.081 122.081 118.988 3.093 18507 548 1 1 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.792 0.388 18507 549 1 1 . 1 1 102 102 GLU C C 102 175.388 175.388 176.773 -1.385 18507 550 1 1 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.819 -1.511 18507 551 1 1 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.287 1.298 18507 552 1 1 . 1 1 102 102 GLU H H 102 8.138 8.138 7.622 0.516 18507 553 1 1 . 1 1 103 103 VAL N N 103 120.545 120.545 118.438 2.107 18507 554 1 1 . 1 1 103 103 VAL HA H 103 4.024 4.024 4.043 -0.019 18507 555 1 1 . 1 1 103 103 VAL C C 103 175.359 175.359 175.875 -0.516 18507 556 1 1 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.412 0.261 18507 557 1 1 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.700 0.398 18507 558 1 1 . 1 1 103 103 VAL H H 103 7.934 7.934 7.345 0.589 18507 559 1 1 . 1 1 104 104 PHE N N 104 124.359 124.359 124.765 -0.406 18507 560 1 1 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.641 0.054 18507 561 1 1 . 1 1 104 104 PHE C C 104 174.530 174.530 175.943 -1.413 18507 562 1 1 . 1 1 104 104 PHE CA C 104 57.140 57.140 57.809 -0.669 18507 563 1 1 . 1 1 104 104 PHE CB C 104 39.964 39.964 38.931 1.033 18507 564 1 1 . 1 1 104 104 PHE H H 104 8.340 8.340 8.534 -0.194 18507 565 1 2 . 1 1 2 2 ALA N N 2 129.609 129.609 123.183 6.426 18507 566 1 2 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.617 -0.281 18507 567 1 2 . 1 1 2 2 ALA C C 2 177.730 177.730 176.377 1.353 18507 568 1 2 . 1 1 2 2 ALA CA C 2 52.590 52.590 51.957 0.633 18507 569 1 2 . 1 1 2 2 ALA CB C 2 19.509 19.509 20.474 -0.966 18507 570 1 2 . 1 1 2 2 ALA H H 2 8.252 8.252 8.107 0.145 18507 571 1 2 . 1 1 3 3 MET N N 3 119.597 119.597 120.516 -0.919 18507 572 1 2 . 1 1 3 3 MET HA H 3 4.457 4.457 4.771 -0.314 18507 573 1 2 . 1 1 3 3 MET C C 3 176.640 176.640 176.057 0.583 18507 574 1 2 . 1 1 3 3 MET CA C 3 55.433 55.433 55.457 -0.024 18507 575 1 2 . 1 1 3 3 MET CB C 3 32.141 32.141 34.399 -2.258 18507 576 1 2 . 1 1 3 3 MET H H 3 8.526 8.526 8.425 0.101 18507 577 1 2 . 1 1 4 4 GLY N N 4 110.104 110.104 110.707 -0.603 18507 578 1 2 . 1 1 4 4 GLY C C 4 173.846 173.846 173.779 0.067 18507 579 1 2 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.545 0.744 18507 580 1 2 . 1 1 4 4 GLY H H 4 8.388 8.388 8.559 -0.171 18507 581 1 2 . 1 1 5 5 ILE N N 5 120.177 120.177 121.886 -1.709 18507 582 1 2 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.215 -0.073 18507 583 1 2 . 1 1 5 5 ILE C C 5 176.245 176.245 175.631 0.614 18507 584 1 2 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.558 0.148 18507 585 1 2 . 1 1 5 5 ILE CB C 5 38.686 38.686 38.771 -0.085 18507 586 1 2 . 1 1 5 5 ILE H H 5 7.995 7.995 8.015 -0.020 18507 587 1 2 . 1 1 6 6 ARG N N 6 125.295 125.295 127.141 -1.846 18507 588 1 2 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.454 -0.107 18507 589 1 2 . 1 1 6 6 ARG C C 6 174.908 174.908 175.949 -1.041 18507 590 1 2 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.627 0.185 18507 591 1 2 . 1 1 6 6 ARG CB C 6 30.829 30.829 30.551 0.278 18507 592 1 2 . 1 1 6 6 ARG H H 6 8.451 8.451 8.605 -0.154 18507 593 1 2 . 1 1 7 7 ASN N N 7 125.979 125.979 121.507 4.472 18507 594 1 2 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.966 -0.483 18507 595 1 2 . 1 1 7 7 ASN C C 7 175.993 175.993 174.925 1.068 18507 596 1 2 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.903 1.796 18507 597 1 2 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.649 1.095 18507 598 1 2 . 1 1 7 7 ASN H H 7 8.072 8.072 8.478 -0.406 18507 599 1 2 . 1 1 8 8 SER N N 8 120.939 120.939 114.401 6.538 18507 600 1 2 . 1 1 8 8 SER C C 8 174.402 174.402 174.318 0.084 18507 601 1 2 . 1 1 8 8 SER CA C 8 58.678 58.678 57.272 1.406 18507 602 1 2 . 1 1 8 8 SER CB C 8 63.735 63.735 64.352 -0.617 18507 603 1 2 . 1 1 8 8 SER H H 8 8.363 8.363 8.324 0.039 18507 604 1 2 . 1 1 9 9 ASP N N 9 122.169 122.169 120.486 1.683 18507 605 1 2 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.745 -0.133 18507 606 1 2 . 1 1 9 9 ASP C C 9 176.302 176.302 175.887 0.415 18507 607 1 2 . 1 1 9 9 ASP CA C 9 54.667 54.667 55.115 -0.448 18507 608 1 2 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.479 -0.387 18507 609 1 2 . 1 1 9 9 ASP H H 9 8.334 8.334 8.512 -0.178 18507 610 1 2 . 1 1 10 10 SER N N 10 115.330 115.330 114.068 1.262 18507 611 1 2 . 1 1 10 10 SER HA H 10 4.408 4.408 4.538 -0.130 18507 612 1 2 . 1 1 10 10 SER C C 10 174.338 174.338 172.489 1.849 18507 613 1 2 . 1 1 10 10 SER CA C 10 58.421 58.421 57.743 0.678 18507 614 1 2 . 1 1 10 10 SER CB C 10 63.749 63.749 64.968 -1.219 18507 615 1 2 . 1 1 10 10 SER H H 10 8.130 8.130 7.803 0.327 18507 616 1 2 . 1 1 11 11 VAL N N 11 121.719 121.719 119.910 1.809 18507 617 1 2 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.356 -0.268 18507 618 1 2 . 1 1 11 11 VAL C C 11 175.837 175.837 174.465 1.372 18507 619 1 2 . 1 1 11 11 VAL CA C 11 61.972 61.972 62.021 -0.049 18507 620 1 2 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.703 -1.195 18507 621 1 2 . 1 1 11 11 VAL H H 11 8.040 8.040 8.329 -0.289 18507 622 1 2 . 1 1 12 12 LYS N N 12 126.544 126.544 123.860 2.684 18507 623 1 2 . 1 1 12 12 LYS H H 12 8.349 8.349 8.358 -0.009 18507 624 1 2 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.367 0.092 18507 625 1 2 . 1 1 13 13 PRO C C 13 177.038 177.038 176.839 0.199 18507 626 1 2 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.689 -0.821 18507 627 1 2 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.883 0.299 18507 628 1 2 . 1 1 14 14 THR N N 14 114.515 114.515 112.147 2.368 18507 629 1 2 . 1 1 14 14 THR HA H 14 4.255 4.255 4.476 -0.221 18507 630 1 2 . 1 1 14 14 THR C C 14 174.477 174.477 174.081 0.396 18507 631 1 2 . 1 1 14 14 THR CA C 14 61.813 61.813 60.297 1.516 18507 632 1 2 . 1 1 14 14 THR CB C 14 69.675 69.675 70.752 -1.077 18507 633 1 2 . 1 1 14 14 THR H H 14 8.234 8.234 7.539 0.695 18507 634 1 2 . 1 1 15 15 GLN N N 15 122.586 122.586 119.618 2.968 18507 635 1 2 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.366 -0.020 18507 636 1 2 . 1 1 15 15 GLN C C 15 175.452 175.452 175.895 -0.443 18507 637 1 2 . 1 1 15 15 GLN CA C 15 55.562 55.562 55.617 -0.055 18507 638 1 2 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.973 -0.438 18507 639 1 2 . 1 1 15 15 GLN H H 15 8.380 8.380 8.534 -0.154 18507 640 1 2 . 1 1 16 16 GLN N N 16 122.137 122.137 120.489 1.648 18507 641 1 2 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.203 0.057 18507 642 1 2 . 1 1 16 16 GLN C C 16 175.050 175.050 174.888 0.162 18507 643 1 2 . 1 1 16 16 GLN CA C 16 55.542 55.542 56.121 -0.579 18507 644 1 2 . 1 1 16 16 GLN CB C 16 29.726 29.726 28.738 0.988 18507 645 1 2 . 1 1 16 16 GLN H H 16 8.457 8.457 8.435 0.022 18507 646 1 2 . 1 1 17 17 ALA N N 17 125.292 125.292 125.768 -0.476 18507 647 1 2 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.471 -0.160 18507 648 1 2 . 1 1 17 17 ALA C C 17 176.628 176.628 175.840 0.788 18507 649 1 2 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.958 -0.246 18507 650 1 2 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.899 -0.932 18507 651 1 2 . 1 1 17 17 ALA H H 17 8.323 8.323 8.302 0.021 18507 652 1 2 . 1 1 18 18 ARG N N 18 122.106 122.106 120.701 1.405 18507 653 1 2 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.640 -0.019 18507 654 1 2 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.958 -0.731 18507 655 1 2 . 1 1 18 18 ARG CB C 18 30.775 30.775 31.040 -0.265 18507 656 1 2 . 1 1 18 18 ARG H H 18 8.591 8.591 8.647 -0.056 18507 657 1 2 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.577 0.007 18507 658 1 2 . 1 1 19 19 PRO C C 19 176.098 176.098 176.141 -0.043 18507 659 1 2 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.507 0.454 18507 660 1 2 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.265 -0.120 18507 661 1 2 . 1 1 20 20 THR N N 20 121.694 121.694 113.410 8.284 18507 662 1 2 . 1 1 20 20 THR HA H 20 4.228 4.228 4.273 -0.045 18507 663 1 2 . 1 1 20 20 THR C C 20 172.413 172.413 174.429 -2.016 18507 664 1 2 . 1 1 20 20 THR CA C 20 62.891 62.891 60.911 1.980 18507 665 1 2 . 1 1 20 20 THR CB C 20 71.036 71.036 69.939 1.097 18507 666 1 2 . 1 1 20 20 THR H H 20 9.046 9.046 8.222 0.824 18507 667 1 2 . 1 1 21 21 VAL N N 21 127.141 127.141 126.961 0.180 18507 668 1 2 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.141 0.406 18507 669 1 2 . 1 1 21 21 VAL C C 21 175.345 175.345 174.783 0.562 18507 670 1 2 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.377 -0.597 18507 671 1 2 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.850 0.409 18507 672 1 2 . 1 1 21 21 VAL H H 21 8.572 8.572 8.271 0.301 18507 673 1 2 . 1 1 22 22 ILE N N 22 130.341 130.341 127.514 2.827 18507 674 1 2 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.539 -0.246 18507 675 1 2 . 1 1 22 22 ILE C C 22 173.794 173.794 174.529 -0.735 18507 676 1 2 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.585 -1.134 18507 677 1 2 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.487 -2.824 18507 678 1 2 . 1 1 22 22 ILE H H 22 8.913 8.913 8.157 0.756 18507 679 1 2 . 1 1 23 23 ARG N N 23 125.596 125.596 125.291 0.305 18507 680 1 2 . 1 1 23 23 ARG HA H 23 5.509 5.509 4.998 0.511 18507 681 1 2 . 1 1 23 23 ARG C C 23 174.125 174.125 174.552 -0.427 18507 682 1 2 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.321 -1.316 18507 683 1 2 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.777 2.807 18507 684 1 2 . 1 1 23 23 ARG H H 23 8.595 8.595 8.709 -0.114 18507 685 1 2 . 1 1 24 24 TRP N N 24 123.124 123.124 128.829 -5.705 18507 686 1 2 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.948 -0.161 18507 687 1 2 . 1 1 24 24 TRP C C 24 177.208 177.208 174.031 3.177 18507 688 1 2 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.109 -0.135 18507 689 1 2 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.490 -0.083 18507 690 1 2 . 1 1 24 24 TRP H H 24 9.098 9.098 8.946 0.152 18507 691 1 2 . 1 1 25 25 SER N N 25 123.623 123.623 121.468 2.155 18507 692 1 2 . 1 1 25 25 SER HA H 25 4.827 4.827 4.651 0.176 18507 693 1 2 . 1 1 25 25 SER CA C 25 58.442 58.442 57.264 1.179 18507 694 1 2 . 1 1 25 25 SER CB C 25 63.993 63.993 64.016 -0.023 18507 695 1 2 . 1 1 25 25 SER H H 25 8.837 8.837 8.008 0.829 18507 696 1 2 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.345 -0.204 18507 697 1 2 . 1 1 26 26 GLU C C 26 175.915 175.915 176.080 -0.165 18507 698 1 2 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.549 -1.285 18507 699 1 2 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.887 -1.603 18507 700 1 2 . 1 1 27 27 GLY N N 27 109.186 109.186 109.247 -0.061 18507 701 1 2 . 1 1 27 27 GLY C C 27 173.380 173.380 173.944 -0.564 18507 702 1 2 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.004 -0.372 18507 703 1 2 . 1 1 27 27 GLY H H 27 8.434 8.434 8.310 0.124 18507 704 1 2 . 1 1 28 28 GLY N N 28 106.478 106.478 107.428 -0.950 18507 705 1 2 . 1 1 28 28 GLY C C 28 172.572 172.572 174.548 -1.976 18507 706 1 2 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.377 -0.680 18507 707 1 2 . 1 1 28 28 GLY H H 28 7.948 7.948 8.083 -0.135 18507 708 1 2 . 1 1 29 29 LYS N N 29 120.742 120.742 118.465 2.277 18507 709 1 2 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.550 0.065 18507 710 1 2 . 1 1 29 29 LYS C C 29 177.173 177.173 175.576 1.597 18507 711 1 2 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.884 1.067 18507 712 1 2 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.870 -0.035 18507 713 1 2 . 1 1 29 29 LYS H H 29 10.077 10.077 8.587 1.490 18507 714 1 2 . 1 1 30 30 GLU N N 30 121.578 121.578 117.138 4.440 18507 715 1 2 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.413 -0.216 18507 716 1 2 . 1 1 30 30 GLU C C 30 173.541 173.541 173.560 -0.019 18507 717 1 2 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.467 0.513 18507 718 1 2 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.472 1.001 18507 719 1 2 . 1 1 30 30 GLU H H 30 8.810 8.810 7.785 1.025 18507 720 1 2 . 1 1 31 31 VAL N N 31 124.182 124.182 122.392 1.790 18507 721 1 2 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.651 -0.111 18507 722 1 2 . 1 1 31 31 VAL C C 31 173.552 173.552 174.236 -0.684 18507 723 1 2 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.323 0.912 18507 724 1 2 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.456 1.805 18507 725 1 2 . 1 1 31 31 VAL H H 31 7.704 7.704 8.263 -0.559 18507 726 1 2 . 1 1 32 32 PHE N N 32 123.930 123.930 124.521 -0.591 18507 727 1 2 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.381 0.186 18507 728 1 2 . 1 1 32 32 PHE C C 32 174.872 174.872 174.380 0.492 18507 729 1 2 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.436 -1.451 18507 730 1 2 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.919 0.430 18507 731 1 2 . 1 1 32 32 PHE H H 32 8.856 8.856 8.133 0.723 18507 732 1 2 . 1 1 33 33 ILE N N 33 116.493 116.493 121.574 -5.081 18507 733 1 2 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.611 -0.131 18507 734 1 2 . 1 1 33 33 ILE C C 33 174.067 174.067 174.244 -0.177 18507 735 1 2 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.180 0.329 18507 736 1 2 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.752 1.542 18507 737 1 2 . 1 1 33 33 ILE H H 33 9.316 9.316 9.201 0.115 18507 738 1 2 . 1 1 34 34 SER N N 34 116.962 116.962 122.279 -5.317 18507 739 1 2 . 1 1 34 34 SER HA H 34 4.496 4.496 4.825 -0.329 18507 740 1 2 . 1 1 34 34 SER C C 34 170.691 170.691 172.375 -1.684 18507 741 1 2 . 1 1 34 34 SER CA C 34 57.343 57.343 57.456 -0.113 18507 742 1 2 . 1 1 34 34 SER CB C 34 67.249 67.249 66.455 0.794 18507 743 1 2 . 1 1 34 34 SER H H 34 8.518 8.518 8.535 -0.017 18507 744 1 2 . 1 1 35 35 GLY N N 35 106.806 106.806 108.080 -1.274 18507 745 1 2 . 1 1 35 35 GLY C C 35 172.451 172.451 172.044 0.407 18507 746 1 2 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.356 1.705 18507 747 1 2 . 1 1 35 35 GLY H H 35 7.200 7.200 6.919 0.281 18507 748 1 2 . 1 1 36 36 SER N N 36 115.550 115.550 116.115 -0.565 18507 749 1 2 . 1 1 36 36 SER HA H 36 3.388 3.388 4.277 -0.889 18507 750 1 2 . 1 1 36 36 SER C C 36 177.094 177.094 176.822 0.272 18507 751 1 2 . 1 1 36 36 SER CA C 36 60.882 60.882 59.637 1.245 18507 752 1 2 . 1 1 36 36 SER CB C 36 61.978 61.978 63.447 -1.469 18507 753 1 2 . 1 1 36 36 SER H H 36 8.952 8.952 7.894 1.058 18507 754 1 2 . 1 1 37 37 PHE N N 37 118.633 118.633 116.923 1.710 18507 755 1 2 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.286 0.175 18507 756 1 2 . 1 1 37 37 PHE C C 37 175.254 175.254 175.638 -0.384 18507 757 1 2 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.495 -1.739 18507 758 1 2 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.804 -0.042 18507 759 1 2 . 1 1 37 37 PHE H H 37 6.475 6.475 8.038 -1.563 18507 760 1 2 . 1 1 38 38 ASN N N 38 119.885 119.885 116.150 3.735 18507 761 1 2 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.684 0.256 18507 762 1 2 . 1 1 38 38 ASN C C 38 175.954 175.954 175.014 0.940 18507 763 1 2 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.765 -0.484 18507 764 1 2 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.794 -2.593 18507 765 1 2 . 1 1 38 38 ASN H H 38 6.610 6.610 6.964 -0.354 18507 766 1 2 . 1 1 39 39 ASN N N 39 117.264 117.264 118.311 -1.047 18507 767 1 2 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.457 -0.147 18507 768 1 2 . 1 1 39 39 ASN C C 39 173.171 173.171 174.724 -1.553 18507 769 1 2 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.387 0.401 18507 770 1 2 . 1 1 39 39 ASN CB C 39 36.994 36.994 36.981 0.013 18507 771 1 2 . 1 1 39 39 ASN H H 39 7.822 7.822 7.922 -0.100 18507 772 1 2 . 1 1 40 40 TRP N N 40 113.463 113.463 112.248 1.215 18507 773 1 2 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.156 -0.155 18507 774 1 2 . 1 1 40 40 TRP C C 40 177.457 177.457 176.343 1.114 18507 775 1 2 . 1 1 40 40 TRP CA C 40 57.585 57.585 58.066 -0.481 18507 776 1 2 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.520 -1.732 18507 777 1 2 . 1 1 40 40 TRP H H 40 8.300 8.300 7.629 0.671 18507 778 1 2 . 1 1 41 41 SER N N 41 113.321 113.321 114.356 -1.035 18507 779 1 2 . 1 1 41 41 SER HA H 41 4.216 4.216 4.653 -0.437 18507 780 1 2 . 1 1 41 41 SER C C 41 174.913 174.913 174.220 0.693 18507 781 1 2 . 1 1 41 41 SER CA C 41 60.460 60.460 58.964 1.496 18507 782 1 2 . 1 1 41 41 SER CB C 41 64.591 64.591 64.240 0.351 18507 783 1 2 . 1 1 41 41 SER H H 41 7.549 7.549 8.280 -0.731 18507 784 1 2 . 1 1 42 42 THR N N 42 112.097 112.097 115.045 -2.948 18507 785 1 2 . 1 1 42 42 THR HA H 42 4.576 4.576 4.392 0.184 18507 786 1 2 . 1 1 42 42 THR C C 42 174.798 174.798 172.391 2.407 18507 787 1 2 . 1 1 42 42 THR CA C 42 59.920 59.920 61.611 -1.691 18507 788 1 2 . 1 1 42 42 THR CB C 42 71.457 71.457 69.892 1.565 18507 789 1 2 . 1 1 42 42 THR H H 42 7.088 7.088 7.753 -0.665 18507 790 1 2 . 1 1 43 43 LYS N N 43 122.104 122.104 126.565 -4.461 18507 791 1 2 . 1 1 43 43 LYS HA H 43 4.672 4.672 5.028 -0.356 18507 792 1 2 . 1 1 43 43 LYS C C 43 174.839 174.839 176.359 -1.520 18507 793 1 2 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.853 0.440 18507 794 1 2 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.577 -0.238 18507 795 1 2 . 1 1 43 43 LYS H H 43 8.466 8.466 8.305 0.161 18507 796 1 2 . 1 1 44 44 ILE N N 44 128.655 128.655 126.564 2.091 18507 797 1 2 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.545 0.083 18507 798 1 2 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.255 0.317 18507 799 1 2 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.647 1.457 18507 800 1 2 . 1 1 44 44 ILE H H 44 9.596 9.596 9.098 0.498 18507 801 1 2 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.436 -0.131 18507 802 1 2 . 1 1 45 45 PRO C C 45 174.315 174.315 176.114 -1.799 18507 803 1 2 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.553 0.178 18507 804 1 2 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.333 -0.087 18507 805 1 2 . 1 1 46 46 LEU N N 46 122.198 122.198 125.093 -2.895 18507 806 1 2 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.536 -0.023 18507 807 1 2 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.956 1.597 18507 808 1 2 . 1 1 46 46 LEU CB C 46 42.810 42.810 43.020 -0.210 18507 809 1 2 . 1 1 46 46 LEU H H 46 8.157 8.157 7.529 0.628 18507 810 1 2 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.863 0.487 18507 811 1 2 . 1 1 47 47 ILE C C 47 175.903 175.903 176.041 -0.138 18507 812 1 2 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.121 -1.707 18507 813 1 2 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.639 2.757 18507 814 1 2 . 1 1 48 48 LYS N N 48 128.033 128.033 129.193 -1.160 18507 815 1 2 . 1 1 48 48 LYS HA H 48 3.906 3.906 4.004 -0.098 18507 816 1 2 . 1 1 48 48 LYS C C 48 176.252 176.252 175.668 0.584 18507 817 1 2 . 1 1 48 48 LYS CA C 48 56.702 56.702 57.032 -0.330 18507 818 1 2 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.487 0.109 18507 819 1 2 . 1 1 48 48 LYS H H 48 8.661 8.661 8.367 0.294 18507 820 1 2 . 1 1 49 49 SER N N 49 122.194 122.194 118.990 3.204 18507 821 1 2 . 1 1 49 49 SER HA H 49 4.367 4.367 4.513 -0.146 18507 822 1 2 . 1 1 49 49 SER CA C 49 56.282 56.282 55.944 0.339 18507 823 1 2 . 1 1 49 49 SER CB C 49 62.849 62.849 64.879 -2.030 18507 824 1 2 . 1 1 49 49 SER H H 49 8.638 8.638 8.083 0.555 18507 825 1 2 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.307 -0.265 18507 826 1 2 . 1 1 50 50 HIS CA C 50 57.984 57.984 57.724 0.260 18507 827 1 2 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.832 -1.935 18507 828 1 2 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.601 0.114 18507 829 1 2 . 1 1 51 51 ASN C C 51 174.091 174.091 174.293 -0.202 18507 830 1 2 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.310 -0.534 18507 831 1 2 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.530 -0.396 18507 832 1 2 . 1 1 52 52 ASP N N 52 119.149 119.149 115.456 3.693 18507 833 1 2 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.416 0.546 18507 834 1 2 . 1 1 52 52 ASP C C 52 174.069 174.069 173.861 0.208 18507 835 1 2 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.266 0.278 18507 836 1 2 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.038 1.518 18507 837 1 2 . 1 1 52 52 ASP H H 52 8.031 8.031 7.410 0.621 18507 838 1 2 . 1 1 53 53 PHE N N 53 118.169 118.169 117.355 0.814 18507 839 1 2 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.718 0.432 18507 840 1 2 . 1 1 53 53 PHE C C 53 175.583 175.583 175.918 -0.335 18507 841 1 2 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.177 -0.805 18507 842 1 2 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.164 1.727 18507 843 1 2 . 1 1 53 53 PHE H H 53 8.534 8.534 8.546 -0.012 18507 844 1 2 . 1 1 54 54 VAL N N 54 118.983 118.983 114.166 4.817 18507 845 1 2 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.732 0.593 18507 846 1 2 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.939 0.195 18507 847 1 2 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.177 0.572 18507 848 1 2 . 1 1 54 54 VAL H H 54 9.324 9.324 8.083 1.241 18507 849 1 2 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.833 -0.126 18507 850 1 2 . 1 1 55 55 ALA C C 55 174.786 174.786 175.616 -0.830 18507 851 1 2 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.441 0.446 18507 852 1 2 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.202 -0.514 18507 853 1 2 . 1 1 56 56 ILE N N 56 120.457 120.457 120.573 -0.116 18507 854 1 2 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.332 0.220 18507 855 1 2 . 1 1 56 56 ILE C C 56 175.419 175.419 174.355 1.064 18507 856 1 2 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.661 1.261 18507 857 1 2 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.301 0.190 18507 858 1 2 . 1 1 56 56 ILE H H 56 8.239 8.239 8.342 -0.103 18507 859 1 2 . 1 1 57 57 LEU N N 57 127.392 127.392 122.325 5.067 18507 860 1 2 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.637 -0.131 18507 861 1 2 . 1 1 57 57 LEU C C 57 175.108 175.108 174.846 0.262 18507 862 1 2 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.921 -0.179 18507 863 1 2 . 1 1 57 57 LEU CB C 57 45.170 45.170 44.893 0.277 18507 864 1 2 . 1 1 57 57 LEU H H 57 8.828 8.828 7.693 1.135 18507 865 1 2 . 1 1 58 58 ASP N N 58 124.255 124.255 122.980 1.275 18507 866 1 2 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.741 -0.113 18507 867 1 2 . 1 1 58 58 ASP C C 58 175.066 175.066 176.166 -1.100 18507 868 1 2 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.853 -1.912 18507 869 1 2 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.091 -0.384 18507 870 1 2 . 1 1 58 58 ASP H H 58 8.571 8.571 8.295 0.276 18507 871 1 2 . 1 1 59 59 LEU N N 59 124.092 124.092 126.036 -1.944 18507 872 1 2 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.702 -0.167 18507 873 1 2 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.494 -0.621 18507 874 1 2 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.620 -0.586 18507 875 1 2 . 1 1 59 59 LEU H H 59 7.681 7.681 7.912 -0.231 18507 876 1 2 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.504 0.097 18507 877 1 2 . 1 1 60 60 PRO C C 60 175.599 175.599 176.072 -0.473 18507 878 1 2 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.123 -0.641 18507 879 1 2 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.651 0.017 18507 880 1 2 . 1 1 61 61 GLU N N 61 119.164 119.164 121.807 -2.643 18507 881 1 2 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.984 -0.125 18507 882 1 2 . 1 1 61 61 GLU C C 61 176.121 176.121 176.050 0.071 18507 883 1 2 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.743 -0.285 18507 884 1 2 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.350 0.899 18507 885 1 2 . 1 1 61 61 GLU H H 61 8.500 8.500 8.552 -0.052 18507 886 1 2 . 1 1 62 62 GLY N N 62 111.529 111.529 115.138 -3.609 18507 887 1 2 . 1 1 62 62 GLY C C 62 171.313 171.313 171.619 -0.306 18507 888 1 2 . 1 1 62 62 GLY CA C 62 43.469 43.469 44.974 -1.505 18507 889 1 2 . 1 1 62 62 GLY H H 62 8.845 8.845 8.508 0.337 18507 890 1 2 . 1 1 63 63 GLU N N 63 119.100 119.100 122.114 -3.014 18507 891 1 2 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.866 -0.084 18507 892 1 2 . 1 1 63 63 GLU C C 63 175.530 175.530 174.839 0.691 18507 893 1 2 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.630 0.348 18507 894 1 2 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.030 -0.647 18507 895 1 2 . 1 1 63 63 GLU H H 63 8.015 8.015 8.271 -0.256 18507 896 1 2 . 1 1 64 64 HIS N N 64 121.786 121.786 122.414 -0.628 18507 897 1 2 . 1 1 64 64 HIS HA H 64 4.817 4.817 4.991 -0.174 18507 898 1 2 . 1 1 64 64 HIS C C 64 174.358 174.358 173.195 1.163 18507 899 1 2 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.135 0.835 18507 900 1 2 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.581 0.528 18507 901 1 2 . 1 1 64 64 HIS H H 64 8.830 8.830 9.170 -0.340 18507 902 1 2 . 1 1 65 65 GLN N N 65 121.667 121.667 118.537 3.130 18507 903 1 2 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.875 0.886 18507 904 1 2 . 1 1 65 65 GLN C C 65 175.833 175.833 174.678 1.155 18507 905 1 2 . 1 1 65 65 GLN CA C 65 53.833 53.833 54.894 -1.061 18507 906 1 2 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.689 0.575 18507 907 1 2 . 1 1 65 65 GLN H H 65 8.637 8.637 8.901 -0.264 18507 908 1 2 . 1 1 66 66 TYR N N 66 116.908 116.908 120.503 -3.595 18507 909 1 2 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.378 -0.203 18507 910 1 2 . 1 1 66 66 TYR C C 66 171.751 171.751 173.935 -2.184 18507 911 1 2 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.711 2.272 18507 912 1 2 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.587 -0.856 18507 913 1 2 . 1 1 66 66 TYR H H 66 8.894 8.894 7.647 1.247 18507 914 1 2 . 1 1 67 67 LYS N N 67 118.307 118.307 118.018 0.289 18507 915 1 2 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.707 -0.074 18507 916 1 2 . 1 1 67 67 LYS C C 67 173.317 173.317 174.980 -1.663 18507 917 1 2 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.898 1.978 18507 918 1 2 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.902 0.298 18507 919 1 2 . 1 1 67 67 LYS H H 67 8.927 8.927 8.445 0.482 18507 920 1 2 . 1 1 68 68 PHE N N 68 118.691 118.691 122.382 -3.691 18507 921 1 2 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.192 0.339 18507 922 1 2 . 1 1 68 68 PHE C C 68 173.861 173.861 175.312 -1.451 18507 923 1 2 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.434 0.513 18507 924 1 2 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.014 0.258 18507 925 1 2 . 1 1 68 68 PHE H H 68 8.436 8.436 8.303 0.133 18507 926 1 2 . 1 1 69 69 PHE N N 69 125.718 125.718 124.329 1.389 18507 927 1 2 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.995 -0.272 18507 928 1 2 . 1 1 69 69 PHE C C 69 174.574 174.574 173.313 1.261 18507 929 1 2 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.362 -0.526 18507 930 1 2 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.483 -0.327 18507 931 1 2 . 1 1 69 69 PHE H H 69 9.000 9.000 8.804 0.196 18507 932 1 2 . 1 1 70 70 VAL N N 70 126.808 126.808 125.476 1.332 18507 933 1 2 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.579 -0.256 18507 934 1 2 . 1 1 70 70 VAL C C 70 175.641 175.641 175.650 -0.009 18507 935 1 2 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.139 1.369 18507 936 1 2 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.454 -0.984 18507 937 1 2 . 1 1 70 70 VAL H H 70 8.688 8.688 8.066 0.622 18507 938 1 2 . 1 1 71 71 ASP N N 71 128.747 128.747 125.508 3.239 18507 939 1 2 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.129 0.106 18507 940 1 2 . 1 1 71 71 ASP C C 71 176.119 176.119 176.289 -0.170 18507 941 1 2 . 1 1 71 71 ASP CA C 71 55.649 55.649 55.171 0.478 18507 942 1 2 . 1 1 71 71 ASP CB C 71 39.629 39.629 38.879 0.750 18507 943 1 2 . 1 1 71 71 ASP H H 71 8.890 8.890 9.228 -0.338 18507 944 1 2 . 1 1 72 72 GLY N N 72 100.856 100.856 103.587 -2.731 18507 945 1 2 . 1 1 72 72 GLY C C 72 173.149 173.149 173.079 0.070 18507 946 1 2 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.094 0.161 18507 947 1 2 . 1 1 72 72 GLY H H 72 7.437 7.437 8.348 -0.911 18507 948 1 2 . 1 1 73 73 GLN N N 73 117.716 117.716 114.257 3.459 18507 949 1 2 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.359 0.121 18507 950 1 2 . 1 1 73 73 GLN C C 73 173.981 173.981 173.118 0.863 18507 951 1 2 . 1 1 73 73 GLN CA C 73 53.285 53.285 52.983 0.302 18507 952 1 2 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.722 1.188 18507 953 1 2 . 1 1 73 73 GLN H H 73 6.923 6.923 6.618 0.305 18507 954 1 2 . 1 1 74 74 TRP N N 74 123.738 123.738 121.747 1.991 18507 955 1 2 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.267 0.546 18507 956 1 2 . 1 1 74 74 TRP C C 74 177.239 177.239 177.181 0.058 18507 957 1 2 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.143 -0.355 18507 958 1 2 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.932 -0.014 18507 959 1 2 . 1 1 74 74 TRP H H 74 8.836 8.836 8.700 0.136 18507 960 1 2 . 1 1 75 75 VAL N N 75 121.900 121.900 119.183 2.717 18507 961 1 2 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.563 0.423 18507 962 1 2 . 1 1 75 75 VAL C C 75 172.903 172.903 173.967 -1.064 18507 963 1 2 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.957 0.668 18507 964 1 2 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.572 1.082 18507 965 1 2 . 1 1 75 75 VAL H H 75 10.049 10.049 8.767 1.282 18507 966 1 2 . 1 1 76 76 HIS N N 76 119.400 119.400 116.004 3.396 18507 967 1 2 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.218 0.360 18507 968 1 2 . 1 1 76 76 HIS C C 76 173.084 173.084 173.553 -0.469 18507 969 1 2 . 1 1 76 76 HIS CA C 76 54.260 54.260 53.901 0.359 18507 970 1 2 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.899 -0.092 18507 971 1 2 . 1 1 76 76 HIS H H 76 7.758 7.758 8.301 -0.543 18507 972 1 2 . 1 1 77 77 ASP N N 77 121.057 121.057 122.087 -1.030 18507 973 1 2 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.008 0.096 18507 974 1 2 . 1 1 77 77 ASP CA C 77 50.464 50.464 51.967 -1.503 18507 975 1 2 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.276 -0.007 18507 976 1 2 . 1 1 77 77 ASP H H 77 10.717 10.717 9.031 1.686 18507 977 1 2 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.550 -0.015 18507 978 1 2 . 1 1 78 78 PRO C C 78 177.387 177.387 177.546 -0.159 18507 979 1 2 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.655 -1.058 18507 980 1 2 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.625 -0.299 18507 981 1 2 . 1 1 79 79 SER N N 79 116.058 116.058 112.269 3.789 18507 982 1 2 . 1 1 79 79 SER HA H 79 4.477 4.477 4.433 0.044 18507 983 1 2 . 1 1 79 79 SER C C 79 173.819 173.819 174.922 -1.103 18507 984 1 2 . 1 1 79 79 SER CA C 79 59.369 59.369 58.802 0.567 18507 985 1 2 . 1 1 79 79 SER CB C 79 63.875 63.875 63.367 0.507 18507 986 1 2 . 1 1 79 79 SER H H 79 8.853 8.853 8.010 0.843 18507 987 1 2 . 1 1 80 80 GLU N N 80 122.620 122.620 120.335 2.285 18507 988 1 2 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.723 0.236 18507 989 1 2 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.946 -0.545 18507 990 1 2 . 1 1 80 80 GLU CB C 80 30.620 30.620 29.867 0.753 18507 991 1 2 . 1 1 80 80 GLU H H 80 7.332 7.332 7.545 -0.213 18507 992 1 2 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.442 -0.003 18507 993 1 2 . 1 1 81 81 PRO C C 81 177.020 177.020 175.575 1.445 18507 994 1 2 . 1 1 81 81 PRO CA C 81 63.696 63.696 62.929 0.767 18507 995 1 2 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.254 -2.035 18507 996 1 2 . 1 1 82 82 VAL N N 82 114.720 114.720 117.547 -2.827 18507 997 1 2 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.853 0.614 18507 998 1 2 . 1 1 82 82 VAL C C 82 175.787 175.787 175.121 0.666 18507 999 1 2 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.924 -1.325 18507 1000 1 2 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.987 2.771 18507 1001 1 2 . 1 1 82 82 VAL H H 82 8.221 8.221 7.834 0.387 18507 1002 1 2 . 1 1 83 83 VAL N N 83 117.999 117.999 122.335 -4.336 18507 1003 1 2 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.397 0.013 18507 1004 1 2 . 1 1 83 83 VAL C C 83 173.384 173.384 174.593 -1.209 18507 1005 1 2 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.445 -0.912 18507 1006 1 2 . 1 1 83 83 VAL CB C 83 35.305 35.305 35.968 -0.663 18507 1007 1 2 . 1 1 83 83 VAL H H 83 8.898 8.898 8.804 0.094 18507 1008 1 2 . 1 1 84 84 THR N N 84 120.469 120.469 122.401 -1.932 18507 1009 1 2 . 1 1 84 84 THR HA H 84 4.751 4.751 4.377 0.374 18507 1010 1 2 . 1 1 84 84 THR C C 84 174.975 174.975 173.895 1.080 18507 1011 1 2 . 1 1 84 84 THR CA C 84 61.446 61.446 62.910 -1.464 18507 1012 1 2 . 1 1 84 84 THR CB C 84 68.959 68.959 68.670 0.289 18507 1013 1 2 . 1 1 84 84 THR H H 84 8.309 8.309 8.376 -0.067 18507 1014 1 2 . 1 1 85 85 SER N N 85 123.544 123.544 120.560 2.984 18507 1015 1 2 . 1 1 85 85 SER HA H 85 4.533 4.533 4.274 0.259 18507 1016 1 2 . 1 1 85 85 SER CA C 85 57.027 57.027 57.965 -0.938 18507 1017 1 2 . 1 1 85 85 SER CB C 85 65.264 65.264 64.041 1.223 18507 1018 1 2 . 1 1 85 85 SER H H 85 9.137 9.137 8.376 0.761 18507 1019 1 2 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.102 -0.010 18507 1020 1 2 . 1 1 86 86 GLN C C 86 176.451 176.451 175.650 0.801 18507 1021 1 2 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.191 -0.121 18507 1022 1 2 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.214 -0.079 18507 1023 1 2 . 1 1 87 87 LEU N N 87 117.032 117.032 119.218 -2.186 18507 1024 1 2 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.421 -0.162 18507 1025 1 2 . 1 1 87 87 LEU C C 87 177.470 177.470 177.436 0.034 18507 1026 1 2 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.334 0.316 18507 1027 1 2 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.114 1.562 18507 1028 1 2 . 1 1 87 87 LEU H H 87 7.692 7.692 7.443 0.249 18507 1029 1 2 . 1 1 88 88 GLY N N 88 107.770 107.770 107.610 0.160 18507 1030 1 2 . 1 1 88 88 GLY C C 88 174.029 174.029 173.860 0.169 18507 1031 1 2 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.763 -0.501 18507 1032 1 2 . 1 1 88 88 GLY H H 88 7.932 7.932 7.885 0.047 18507 1033 1 2 . 1 1 89 89 THR N N 89 112.596 112.596 111.167 1.429 18507 1034 1 2 . 1 1 89 89 THR HA H 89 4.259 4.259 4.583 -0.324 18507 1035 1 2 . 1 1 89 89 THR C C 89 172.837 172.837 174.342 -1.505 18507 1036 1 2 . 1 1 89 89 THR CA C 89 60.743 60.743 59.632 1.111 18507 1037 1 2 . 1 1 89 89 THR CB C 89 69.845 69.845 70.464 -0.619 18507 1038 1 2 . 1 1 89 89 THR H H 89 7.148 7.148 7.386 -0.238 18507 1039 1 2 . 1 1 90 90 ILE N N 90 123.927 123.927 125.508 -1.581 18507 1040 1 2 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.180 0.230 18507 1041 1 2 . 1 1 90 90 ILE C C 90 175.007 175.007 175.495 -0.488 18507 1042 1 2 . 1 1 90 90 ILE CA C 90 60.551 60.551 61.091 -0.540 18507 1043 1 2 . 1 1 90 90 ILE CB C 90 38.935 38.935 37.178 1.757 18507 1044 1 2 . 1 1 90 90 ILE H H 90 8.514 8.514 8.797 -0.283 18507 1045 1 2 . 1 1 91 91 ASN N N 91 123.450 123.450 120.712 2.738 18507 1046 1 2 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.875 0.412 18507 1047 1 2 . 1 1 91 91 ASN C C 91 175.916 175.916 173.506 2.410 18507 1048 1 2 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.948 -0.972 18507 1049 1 2 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.257 0.919 18507 1050 1 2 . 1 1 91 91 ASN H H 91 8.497 8.497 8.709 -0.212 18507 1051 1 2 . 1 1 92 92 ASN N N 92 115.675 115.675 117.197 -1.522 18507 1052 1 2 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.706 0.905 18507 1053 1 2 . 1 1 92 92 ASN C C 92 173.765 173.765 173.741 0.024 18507 1054 1 2 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.875 0.937 18507 1055 1 2 . 1 1 92 92 ASN CB C 92 41.743 41.743 38.980 2.763 18507 1056 1 2 . 1 1 92 92 ASN H H 92 8.721 8.721 8.473 0.248 18507 1057 1 2 . 1 1 93 93 LEU N N 93 120.001 120.001 119.997 0.004 18507 1058 1 2 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.793 0.544 18507 1059 1 2 . 1 1 93 93 LEU C C 93 175.864 175.864 175.156 0.708 18507 1060 1 2 . 1 1 93 93 LEU CA C 93 53.522 53.522 53.895 -0.373 18507 1061 1 2 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.614 1.508 18507 1062 1 2 . 1 1 93 93 LEU H H 93 7.661 7.661 7.679 -0.018 18507 1063 1 2 . 1 1 94 94 ILE N N 94 124.682 124.682 125.482 -0.800 18507 1064 1 2 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.514 0.333 18507 1065 1 2 . 1 1 94 94 ILE C C 94 172.078 172.078 173.245 -1.167 18507 1066 1 2 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.023 -0.672 18507 1067 1 2 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.514 -0.423 18507 1068 1 2 . 1 1 94 94 ILE H H 94 9.282 9.282 9.190 0.092 18507 1069 1 2 . 1 1 95 95 HIS N N 95 126.782 126.782 126.318 0.464 18507 1070 1 2 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.174 -0.064 18507 1071 1 2 . 1 1 95 95 HIS C C 95 174.655 174.655 174.776 -0.121 18507 1072 1 2 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.428 -0.094 18507 1073 1 2 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.862 0.537 18507 1074 1 2 . 1 1 95 95 HIS H H 95 8.690 8.690 8.608 0.082 18507 1075 1 2 . 1 1 96 96 VAL N N 96 128.616 128.616 124.507 4.109 18507 1076 1 2 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.326 -0.211 18507 1077 1 2 . 1 1 96 96 VAL C C 96 175.515 175.515 175.384 0.131 18507 1078 1 2 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.779 0.723 18507 1079 1 2 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.472 -1.140 18507 1080 1 2 . 1 1 96 96 VAL H H 96 9.082 9.082 8.903 0.179 18507 1081 1 2 . 1 1 97 97 LYS N N 97 128.692 128.692 125.901 2.791 18507 1082 1 2 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.534 0.016 18507 1083 1 2 . 1 1 97 97 LYS C C 97 176.019 176.019 176.227 -0.208 18507 1084 1 2 . 1 1 97 97 LYS CA C 97 55.091 55.091 53.903 1.188 18507 1085 1 2 . 1 1 97 97 LYS CB C 97 34.588 34.588 34.101 0.487 18507 1086 1 2 . 1 1 97 97 LYS H H 97 8.708 8.708 8.485 0.223 18507 1087 1 2 . 1 1 98 98 LYS N N 98 122.635 122.635 120.800 1.835 18507 1088 1 2 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.410 -0.288 18507 1089 1 2 . 1 1 98 98 LYS C C 98 176.947 176.947 176.568 0.379 18507 1090 1 2 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.966 1.266 18507 1091 1 2 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.341 -0.492 18507 1092 1 2 . 1 1 98 98 LYS H H 98 8.717 8.717 8.344 0.373 18507 1093 1 2 . 1 1 99 99 SER N N 99 116.737 116.737 115.812 0.925 18507 1094 1 2 . 1 1 99 99 SER HA H 99 4.357 4.357 4.659 -0.302 18507 1095 1 2 . 1 1 99 99 SER C C 99 174.335 174.335 174.282 0.053 18507 1096 1 2 . 1 1 99 99 SER CA C 99 58.240 58.240 58.811 -0.571 18507 1097 1 2 . 1 1 99 99 SER CB C 99 63.664 63.664 63.750 -0.086 18507 1098 1 2 . 1 1 99 99 SER H H 99 8.393 8.393 8.664 -0.271 18507 1099 1 2 . 1 1 100 100 ASP N N 100 122.287 122.287 120.270 2.017 18507 1100 1 2 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.708 -0.182 18507 1101 1 2 . 1 1 100 100 ASP C C 100 175.823 175.823 176.441 -0.618 18507 1102 1 2 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.739 0.074 18507 1103 1 2 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.255 -0.317 18507 1104 1 2 . 1 1 100 100 ASP H H 100 8.288 8.288 8.338 -0.050 18507 1105 1 2 . 1 1 101 101 PHE N N 101 118.668 118.668 119.271 -0.603 18507 1106 1 2 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.176 0.399 18507 1107 1 2 . 1 1 101 101 PHE C C 101 175.279 175.279 176.555 -1.276 18507 1108 1 2 . 1 1 101 101 PHE CA C 101 57.462 57.462 60.432 -2.970 18507 1109 1 2 . 1 1 101 101 PHE CB C 101 39.557 39.557 39.620 -0.063 18507 1110 1 2 . 1 1 101 101 PHE H H 101 7.923 7.923 7.858 0.065 18507 1111 1 2 . 1 1 102 102 GLU N N 102 122.081 122.081 117.435 4.646 18507 1112 1 2 . 1 1 102 102 GLU HA H 102 4.180 4.180 4.067 0.113 18507 1113 1 2 . 1 1 102 102 GLU C C 102 175.388 175.388 176.108 -0.720 18507 1114 1 2 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.672 -1.364 18507 1115 1 2 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.968 0.617 18507 1116 1 2 . 1 1 102 102 GLU H H 102 8.138 8.138 8.613 -0.475 18507 1117 1 2 . 1 1 103 103 VAL N N 103 120.545 120.545 120.195 0.350 18507 1118 1 2 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.817 0.207 18507 1119 1 2 . 1 1 103 103 VAL C C 103 175.359 175.359 175.405 -0.046 18507 1120 1 2 . 1 1 103 103 VAL CA C 103 61.673 61.673 62.717 -1.044 18507 1121 1 2 . 1 1 103 103 VAL CB C 103 33.098 33.098 31.870 1.228 18507 1122 1 2 . 1 1 103 103 VAL H H 103 7.934 7.934 7.555 0.379 18507 1123 1 2 . 1 1 104 104 PHE N N 104 124.359 124.359 123.918 0.441 18507 1124 1 2 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.637 0.058 18507 1125 1 2 . 1 1 104 104 PHE C C 104 174.530 174.530 176.415 -1.885 18507 1126 1 2 . 1 1 104 104 PHE CA C 104 57.140 57.140 59.085 -1.945 18507 1127 1 2 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.574 0.390 18507 1128 1 2 . 1 1 104 104 PHE H H 104 8.340 8.340 8.496 -0.156 18507 1129 1 3 . 1 1 2 2 ALA N N 2 129.609 129.609 122.877 6.732 18507 1130 1 3 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.149 -0.813 18507 1131 1 3 . 1 1 2 2 ALA C C 2 177.730 177.730 177.390 0.340 18507 1132 1 3 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.087 0.503 18507 1133 1 3 . 1 1 2 2 ALA CB C 2 19.509 19.509 20.733 -1.224 18507 1134 1 3 . 1 1 2 2 ALA H H 2 8.252 8.252 8.580 -0.328 18507 1135 1 3 . 1 1 3 3 MET N N 3 119.597 119.597 119.509 0.088 18507 1136 1 3 . 1 1 3 3 MET HA H 3 4.457 4.457 4.808 -0.351 18507 1137 1 3 . 1 1 3 3 MET C C 3 176.640 176.640 176.992 -0.352 18507 1138 1 3 . 1 1 3 3 MET CA C 3 55.433 55.433 57.184 -1.751 18507 1139 1 3 . 1 1 3 3 MET CB C 3 32.141 32.141 33.545 -1.404 18507 1140 1 3 . 1 1 3 3 MET H H 3 8.526 8.526 9.007 -0.481 18507 1141 1 3 . 1 1 4 4 GLY N N 4 110.104 110.104 108.864 1.240 18507 1142 1 3 . 1 1 4 4 GLY C C 4 173.846 173.846 173.103 0.743 18507 1143 1 3 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.456 0.833 18507 1144 1 3 . 1 1 4 4 GLY H H 4 8.388 8.388 8.040 0.348 18507 1145 1 3 . 1 1 5 5 ILE N N 5 120.177 120.177 121.038 -0.861 18507 1146 1 3 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.249 -0.107 18507 1147 1 3 . 1 1 5 5 ILE C C 5 176.245 176.245 175.865 0.380 18507 1148 1 3 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.710 -0.004 18507 1149 1 3 . 1 1 5 5 ILE CB C 5 38.686 38.686 37.173 1.513 18507 1150 1 3 . 1 1 5 5 ILE H H 5 7.995 7.995 8.299 -0.304 18507 1151 1 3 . 1 1 6 6 ARG N N 6 125.295 125.295 126.354 -1.059 18507 1152 1 3 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.595 -0.248 18507 1153 1 3 . 1 1 6 6 ARG C C 6 174.908 174.908 175.522 -0.614 18507 1154 1 3 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.926 -0.114 18507 1155 1 3 . 1 1 6 6 ARG CB C 6 30.829 30.829 30.604 0.225 18507 1156 1 3 . 1 1 6 6 ARG H H 6 8.451 8.451 8.657 -0.206 18507 1157 1 3 . 1 1 7 7 ASN N N 7 125.979 125.979 118.600 7.379 18507 1158 1 3 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.720 -0.237 18507 1159 1 3 . 1 1 7 7 ASN C C 7 175.993 175.993 174.991 1.002 18507 1160 1 3 . 1 1 7 7 ASN CA C 7 54.699 54.699 53.046 1.653 18507 1161 1 3 . 1 1 7 7 ASN CB C 7 40.744 40.744 38.593 2.151 18507 1162 1 3 . 1 1 7 7 ASN H H 7 8.072 8.072 8.096 -0.024 18507 1163 1 3 . 1 1 8 8 SER N N 8 120.939 120.939 114.240 6.699 18507 1164 1 3 . 1 1 8 8 SER C C 8 174.402 174.402 173.492 0.910 18507 1165 1 3 . 1 1 8 8 SER CA C 8 58.678 58.678 59.076 -0.398 18507 1166 1 3 . 1 1 8 8 SER CB C 8 63.735 63.735 61.806 1.929 18507 1167 1 3 . 1 1 8 8 SER H H 8 8.363 8.363 8.432 -0.069 18507 1168 1 3 . 1 1 9 9 ASP N N 9 122.169 122.169 121.626 0.543 18507 1169 1 3 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.673 -0.061 18507 1170 1 3 . 1 1 9 9 ASP C C 9 176.302 176.302 176.940 -0.638 18507 1171 1 3 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.821 -0.154 18507 1172 1 3 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.623 -0.531 18507 1173 1 3 . 1 1 9 9 ASP H H 9 8.334 8.334 8.353 -0.019 18507 1174 1 3 . 1 1 10 10 SER N N 10 115.330 115.330 115.268 0.062 18507 1175 1 3 . 1 1 10 10 SER HA H 10 4.408 4.408 4.469 -0.061 18507 1176 1 3 . 1 1 10 10 SER C C 10 174.338 174.338 174.227 0.111 18507 1177 1 3 . 1 1 10 10 SER CA C 10 58.421 58.421 58.384 0.037 18507 1178 1 3 . 1 1 10 10 SER CB C 10 63.749 63.749 63.873 -0.124 18507 1179 1 3 . 1 1 10 10 SER H H 10 8.130 8.130 8.139 -0.009 18507 1180 1 3 . 1 1 11 11 VAL N N 11 121.719 121.719 122.903 -1.184 18507 1181 1 3 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.305 -0.217 18507 1182 1 3 . 1 1 11 11 VAL C C 11 175.837 175.837 175.099 0.738 18507 1183 1 3 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.415 0.557 18507 1184 1 3 . 1 1 11 11 VAL CB C 11 32.508 32.508 34.035 -1.527 18507 1185 1 3 . 1 1 11 11 VAL H H 11 8.040 8.040 8.300 -0.260 18507 1186 1 3 . 1 1 12 12 LYS N N 12 126.544 126.544 124.861 1.683 18507 1187 1 3 . 1 1 12 12 LYS H H 12 8.349 8.349 8.477 -0.128 18507 1188 1 3 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.395 0.064 18507 1189 1 3 . 1 1 13 13 PRO C C 13 177.038 177.038 177.154 -0.116 18507 1190 1 3 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.538 -0.671 18507 1191 1 3 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.968 0.214 18507 1192 1 3 . 1 1 14 14 THR N N 14 114.515 114.515 115.845 -1.330 18507 1193 1 3 . 1 1 14 14 THR HA H 14 4.255 4.255 4.134 0.121 18507 1194 1 3 . 1 1 14 14 THR C C 14 174.477 174.477 174.665 -0.188 18507 1195 1 3 . 1 1 14 14 THR CA C 14 61.813 61.813 62.722 -0.909 18507 1196 1 3 . 1 1 14 14 THR CB C 14 69.675 69.675 69.601 0.074 18507 1197 1 3 . 1 1 14 14 THR H H 14 8.234 8.234 7.870 0.364 18507 1198 1 3 . 1 1 15 15 GLN N N 15 122.586 122.586 120.445 2.141 18507 1199 1 3 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.179 0.167 18507 1200 1 3 . 1 1 15 15 GLN C C 15 175.452 175.452 175.947 -0.495 18507 1201 1 3 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.648 -1.086 18507 1202 1 3 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.267 0.268 18507 1203 1 3 . 1 1 15 15 GLN H H 15 8.380 8.380 8.431 -0.051 18507 1204 1 3 . 1 1 16 16 GLN N N 16 122.137 122.137 119.302 2.835 18507 1205 1 3 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.470 -0.210 18507 1206 1 3 . 1 1 16 16 GLN C C 16 175.050 175.050 174.845 0.205 18507 1207 1 3 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.172 0.369 18507 1208 1 3 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.693 0.033 18507 1209 1 3 . 1 1 16 16 GLN H H 16 8.457 8.457 8.592 -0.135 18507 1210 1 3 . 1 1 17 17 ALA N N 17 125.292 125.292 122.050 3.242 18507 1211 1 3 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.451 -0.140 18507 1212 1 3 . 1 1 17 17 ALA C C 17 176.628 176.628 175.968 0.660 18507 1213 1 3 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.838 -0.126 18507 1214 1 3 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.900 -0.933 18507 1215 1 3 . 1 1 17 17 ALA H H 17 8.323 8.323 8.249 0.074 18507 1216 1 3 . 1 1 18 18 ARG N N 18 122.106 122.106 120.822 1.284 18507 1217 1 3 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.707 -0.086 18507 1218 1 3 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.485 -0.259 18507 1219 1 3 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.762 0.013 18507 1220 1 3 . 1 1 18 18 ARG H H 18 8.591 8.591 8.701 -0.110 18507 1221 1 3 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.471 0.113 18507 1222 1 3 . 1 1 19 19 PRO C C 19 176.098 176.098 176.277 -0.179 18507 1223 1 3 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.491 0.470 18507 1224 1 3 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.260 -0.114 18507 1225 1 3 . 1 1 20 20 THR N N 20 121.694 121.694 113.366 8.328 18507 1226 1 3 . 1 1 20 20 THR HA H 20 4.228 4.228 4.304 -0.076 18507 1227 1 3 . 1 1 20 20 THR C C 20 172.413 172.413 174.467 -2.054 18507 1228 1 3 . 1 1 20 20 THR CA C 20 62.891 62.891 60.436 2.455 18507 1229 1 3 . 1 1 20 20 THR CB C 20 71.036 71.036 69.873 1.163 18507 1230 1 3 . 1 1 20 20 THR H H 20 9.046 9.046 8.190 0.856 18507 1231 1 3 . 1 1 21 21 VAL N N 21 127.141 127.141 125.668 1.473 18507 1232 1 3 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.202 0.345 18507 1233 1 3 . 1 1 21 21 VAL C C 21 175.345 175.345 174.835 0.510 18507 1234 1 3 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.005 -0.225 18507 1235 1 3 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.740 0.519 18507 1236 1 3 . 1 1 21 21 VAL H H 21 8.572 8.572 8.298 0.274 18507 1237 1 3 . 1 1 22 22 ILE N N 22 130.341 130.341 127.416 2.925 18507 1238 1 3 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.480 -0.187 18507 1239 1 3 . 1 1 22 22 ILE C C 22 173.794 173.794 174.251 -0.457 18507 1240 1 3 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.575 -1.124 18507 1241 1 3 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.357 -2.693 18507 1242 1 3 . 1 1 22 22 ILE H H 22 8.913 8.913 8.170 0.743 18507 1243 1 3 . 1 1 23 23 ARG N N 23 125.596 125.596 125.531 0.065 18507 1244 1 3 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.111 0.398 18507 1245 1 3 . 1 1 23 23 ARG C C 23 174.125 174.125 174.442 -0.317 18507 1246 1 3 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.106 -1.101 18507 1247 1 3 . 1 1 23 23 ARG CB C 23 34.584 34.584 32.001 2.583 18507 1248 1 3 . 1 1 23 23 ARG H H 23 8.595 8.595 8.867 -0.272 18507 1249 1 3 . 1 1 24 24 TRP N N 24 123.124 123.124 128.642 -5.518 18507 1250 1 3 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.944 -0.157 18507 1251 1 3 . 1 1 24 24 TRP C C 24 177.208 177.208 174.096 3.112 18507 1252 1 3 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.179 -0.205 18507 1253 1 3 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.219 0.188 18507 1254 1 3 . 1 1 24 24 TRP H H 24 9.098 9.098 8.673 0.425 18507 1255 1 3 . 1 1 25 25 SER N N 25 123.623 123.623 120.435 3.188 18507 1256 1 3 . 1 1 25 25 SER HA H 25 4.827 4.827 4.587 0.240 18507 1257 1 3 . 1 1 25 25 SER CA C 25 58.442 58.442 56.841 1.601 18507 1258 1 3 . 1 1 25 25 SER CB C 25 63.993 63.993 64.670 -0.677 18507 1259 1 3 . 1 1 25 25 SER H H 25 8.837 8.837 7.910 0.927 18507 1260 1 3 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.392 -0.251 18507 1261 1 3 . 1 1 26 26 GLU C C 26 175.915 175.915 176.090 -0.175 18507 1262 1 3 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.591 -1.327 18507 1263 1 3 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.436 -1.152 18507 1264 1 3 . 1 1 27 27 GLY N N 27 109.186 109.186 107.826 1.360 18507 1265 1 3 . 1 1 27 27 GLY C C 27 173.380 173.380 174.708 -1.328 18507 1266 1 3 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.192 -0.560 18507 1267 1 3 . 1 1 27 27 GLY H H 27 8.434 8.434 8.721 -0.287 18507 1268 1 3 . 1 1 28 28 GLY N N 28 106.478 106.478 108.301 -1.823 18507 1269 1 3 . 1 1 28 28 GLY C C 28 172.572 172.572 175.000 -2.428 18507 1270 1 3 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.140 -0.443 18507 1271 1 3 . 1 1 28 28 GLY H H 28 7.948 7.948 8.025 -0.077 18507 1272 1 3 . 1 1 29 29 LYS N N 29 120.742 120.742 117.936 2.806 18507 1273 1 3 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.439 0.175 18507 1274 1 3 . 1 1 29 29 LYS C C 29 177.173 177.173 175.749 1.424 18507 1275 1 3 . 1 1 29 29 LYS CA C 29 57.951 57.951 57.334 0.617 18507 1276 1 3 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.473 0.362 18507 1277 1 3 . 1 1 29 29 LYS H H 29 10.077 10.077 8.487 1.590 18507 1278 1 3 . 1 1 30 30 GLU N N 30 121.578 121.578 117.624 3.954 18507 1279 1 3 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.416 -0.219 18507 1280 1 3 . 1 1 30 30 GLU C C 30 173.541 173.541 173.950 -0.409 18507 1281 1 3 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.183 0.797 18507 1282 1 3 . 1 1 30 30 GLU CB C 30 32.473 32.473 32.024 0.449 18507 1283 1 3 . 1 1 30 30 GLU H H 30 8.810 8.810 7.776 1.034 18507 1284 1 3 . 1 1 31 31 VAL N N 31 124.182 124.182 122.380 1.802 18507 1285 1 3 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.659 -0.119 18507 1286 1 3 . 1 1 31 31 VAL C C 31 173.552 173.552 174.322 -0.770 18507 1287 1 3 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.601 0.634 18507 1288 1 3 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.508 1.754 18507 1289 1 3 . 1 1 31 31 VAL H H 31 7.704 7.704 8.260 -0.556 18507 1290 1 3 . 1 1 32 32 PHE N N 32 123.930 123.930 124.319 -0.389 18507 1291 1 3 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.366 0.201 18507 1292 1 3 . 1 1 32 32 PHE C C 32 174.872 174.872 174.427 0.445 18507 1293 1 3 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.513 -1.528 18507 1294 1 3 . 1 1 32 32 PHE CB C 32 44.349 44.349 44.076 0.273 18507 1295 1 3 . 1 1 32 32 PHE H H 32 8.856 8.856 8.174 0.682 18507 1296 1 3 . 1 1 33 33 ILE N N 33 116.493 116.493 121.855 -5.362 18507 1297 1 3 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.645 -0.165 18507 1298 1 3 . 1 1 33 33 ILE C C 33 174.067 174.067 174.259 -0.192 18507 1299 1 3 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.079 0.430 18507 1300 1 3 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.702 1.592 18507 1301 1 3 . 1 1 33 33 ILE H H 33 9.316 9.316 9.266 0.050 18507 1302 1 3 . 1 1 34 34 SER N N 34 116.962 116.962 122.643 -5.681 18507 1303 1 3 . 1 1 34 34 SER HA H 34 4.496 4.496 4.878 -0.382 18507 1304 1 3 . 1 1 34 34 SER C C 34 170.691 170.691 172.601 -1.910 18507 1305 1 3 . 1 1 34 34 SER CA C 34 57.343 57.343 57.407 -0.064 18507 1306 1 3 . 1 1 34 34 SER CB C 34 67.249 67.249 66.683 0.566 18507 1307 1 3 . 1 1 34 34 SER H H 34 8.518 8.518 8.471 0.047 18507 1308 1 3 . 1 1 35 35 GLY N N 35 106.806 106.806 107.905 -1.099 18507 1309 1 3 . 1 1 35 35 GLY C C 35 172.451 172.451 172.173 0.278 18507 1310 1 3 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.107 1.954 18507 1311 1 3 . 1 1 35 35 GLY H H 35 7.200 7.200 6.774 0.426 18507 1312 1 3 . 1 1 36 36 SER N N 36 115.550 115.550 116.562 -1.012 18507 1313 1 3 . 1 1 36 36 SER HA H 36 3.388 3.388 4.278 -0.890 18507 1314 1 3 . 1 1 36 36 SER C C 36 177.094 177.094 176.808 0.286 18507 1315 1 3 . 1 1 36 36 SER CA C 36 60.882 60.882 60.501 0.381 18507 1316 1 3 . 1 1 36 36 SER CB C 36 61.978 61.978 63.381 -1.403 18507 1317 1 3 . 1 1 36 36 SER H H 36 8.952 8.952 7.952 1.000 18507 1318 1 3 . 1 1 37 37 PHE N N 37 118.633 118.633 116.789 1.844 18507 1319 1 3 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.292 0.169 18507 1320 1 3 . 1 1 37 37 PHE C C 37 175.254 175.254 175.581 -0.327 18507 1321 1 3 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.380 -1.624 18507 1322 1 3 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.971 -0.208 18507 1323 1 3 . 1 1 37 37 PHE H H 37 6.475 6.475 8.075 -1.600 18507 1324 1 3 . 1 1 38 38 ASN N N 38 119.885 119.885 116.198 3.687 18507 1325 1 3 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.682 0.258 18507 1326 1 3 . 1 1 38 38 ASN C C 38 175.954 175.954 174.970 0.984 18507 1327 1 3 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.783 -0.503 18507 1328 1 3 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.752 -2.551 18507 1329 1 3 . 1 1 38 38 ASN H H 38 6.610 6.610 6.998 -0.388 18507 1330 1 3 . 1 1 39 39 ASN N N 39 117.264 117.264 118.442 -1.178 18507 1331 1 3 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.474 -0.164 18507 1332 1 3 . 1 1 39 39 ASN C C 39 173.171 173.171 174.860 -1.689 18507 1333 1 3 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.444 0.344 18507 1334 1 3 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.167 -0.173 18507 1335 1 3 . 1 1 39 39 ASN H H 39 7.822 7.822 7.853 -0.031 18507 1336 1 3 . 1 1 40 40 TRP N N 40 113.463 113.463 113.477 -0.014 18507 1337 1 3 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.152 -0.151 18507 1338 1 3 . 1 1 40 40 TRP C C 40 177.457 177.457 176.516 0.941 18507 1339 1 3 . 1 1 40 40 TRP CA C 40 57.585 57.585 58.195 -0.610 18507 1340 1 3 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.333 -1.546 18507 1341 1 3 . 1 1 40 40 TRP H H 40 8.300 8.300 7.645 0.655 18507 1342 1 3 . 1 1 41 41 SER N N 41 113.321 113.321 114.723 -1.402 18507 1343 1 3 . 1 1 41 41 SER HA H 41 4.216 4.216 4.586 -0.370 18507 1344 1 3 . 1 1 41 41 SER C C 41 174.913 174.913 173.791 1.122 18507 1345 1 3 . 1 1 41 41 SER CA C 41 60.460 60.460 58.721 1.740 18507 1346 1 3 . 1 1 41 41 SER CB C 41 64.591 64.591 63.912 0.679 18507 1347 1 3 . 1 1 41 41 SER H H 41 7.549 7.549 8.392 -0.843 18507 1348 1 3 . 1 1 42 42 THR N N 42 112.097 112.097 114.862 -2.765 18507 1349 1 3 . 1 1 42 42 THR HA H 42 4.576 4.576 4.365 0.211 18507 1350 1 3 . 1 1 42 42 THR C C 42 174.798 174.798 172.468 2.330 18507 1351 1 3 . 1 1 42 42 THR CA C 42 59.920 59.920 61.920 -2.000 18507 1352 1 3 . 1 1 42 42 THR CB C 42 71.457 71.457 70.454 1.003 18507 1353 1 3 . 1 1 42 42 THR H H 42 7.088 7.088 7.786 -0.698 18507 1354 1 3 . 1 1 43 43 LYS N N 43 122.104 122.104 126.112 -4.008 18507 1355 1 3 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.854 -0.182 18507 1356 1 3 . 1 1 43 43 LYS C C 43 174.839 174.839 176.642 -1.803 18507 1357 1 3 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.592 0.701 18507 1358 1 3 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.476 -0.138 18507 1359 1 3 . 1 1 43 43 LYS H H 43 8.466 8.466 8.197 0.269 18507 1360 1 3 . 1 1 44 44 ILE N N 44 128.655 128.655 126.707 1.948 18507 1361 1 3 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.542 0.086 18507 1362 1 3 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.305 0.267 18507 1363 1 3 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.612 1.492 18507 1364 1 3 . 1 1 44 44 ILE H H 44 9.596 9.596 9.059 0.537 18507 1365 1 3 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.386 -0.081 18507 1366 1 3 . 1 1 45 45 PRO C C 45 174.315 174.315 176.064 -1.749 18507 1367 1 3 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.560 0.171 18507 1368 1 3 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.382 -0.136 18507 1369 1 3 . 1 1 46 46 LEU N N 46 122.198 122.198 124.440 -2.242 18507 1370 1 3 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.526 -0.013 18507 1371 1 3 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.974 1.579 18507 1372 1 3 . 1 1 46 46 LEU CB C 46 42.810 42.810 43.363 -0.553 18507 1373 1 3 . 1 1 46 46 LEU H H 46 8.157 8.157 7.492 0.665 18507 1374 1 3 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.958 0.392 18507 1375 1 3 . 1 1 47 47 ILE C C 47 175.903 175.903 176.211 -0.308 18507 1376 1 3 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.002 -1.588 18507 1377 1 3 . 1 1 47 47 ILE CB C 47 39.396 39.396 37.389 2.007 18507 1378 1 3 . 1 1 48 48 LYS N N 48 128.033 128.033 129.480 -1.447 18507 1379 1 3 . 1 1 48 48 LYS HA H 48 3.906 3.906 4.017 -0.111 18507 1380 1 3 . 1 1 48 48 LYS C C 48 176.252 176.252 176.081 0.171 18507 1381 1 3 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.744 -0.042 18507 1382 1 3 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.462 0.134 18507 1383 1 3 . 1 1 48 48 LYS H H 48 8.661 8.661 8.430 0.231 18507 1384 1 3 . 1 1 49 49 SER N N 49 122.194 122.194 119.310 2.884 18507 1385 1 3 . 1 1 49 49 SER HA H 49 4.367 4.367 4.616 -0.249 18507 1386 1 3 . 1 1 49 49 SER CA C 49 56.282 56.282 57.001 -0.719 18507 1387 1 3 . 1 1 49 49 SER CB C 49 62.849 62.849 64.886 -2.037 18507 1388 1 3 . 1 1 49 49 SER H H 49 8.638 8.638 7.952 0.686 18507 1389 1 3 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.379 -0.337 18507 1390 1 3 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.709 -0.725 18507 1391 1 3 . 1 1 50 50 HIS CB C 50 27.897 27.897 30.050 -2.153 18507 1392 1 3 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.724 -0.009 18507 1393 1 3 . 1 1 51 51 ASN C C 51 174.091 174.091 174.746 -0.655 18507 1394 1 3 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.898 -1.121 18507 1395 1 3 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.295 -0.161 18507 1396 1 3 . 1 1 52 52 ASP N N 52 119.149 119.149 114.150 4.999 18507 1397 1 3 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.426 0.536 18507 1398 1 3 . 1 1 52 52 ASP C C 52 174.069 174.069 174.193 -0.124 18507 1399 1 3 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.253 0.291 18507 1400 1 3 . 1 1 52 52 ASP CB C 52 43.556 43.556 41.977 1.579 18507 1401 1 3 . 1 1 52 52 ASP H H 52 8.031 8.031 7.570 0.461 18507 1402 1 3 . 1 1 53 53 PHE N N 53 118.169 118.169 116.689 1.480 18507 1403 1 3 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.979 0.171 18507 1404 1 3 . 1 1 53 53 PHE C C 53 175.583 175.583 175.868 -0.285 18507 1405 1 3 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.176 -0.804 18507 1406 1 3 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.322 1.569 18507 1407 1 3 . 1 1 53 53 PHE H H 53 8.534 8.534 8.343 0.191 18507 1408 1 3 . 1 1 54 54 VAL N N 54 118.983 118.983 120.990 -2.007 18507 1409 1 3 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.555 0.770 18507 1410 1 3 . 1 1 54 54 VAL CA C 54 60.134 60.134 60.626 -0.492 18507 1411 1 3 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.565 0.184 18507 1412 1 3 . 1 1 54 54 VAL H H 54 9.324 9.324 8.262 1.062 18507 1413 1 3 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.829 -0.122 18507 1414 1 3 . 1 1 55 55 ALA C C 55 174.786 174.786 175.598 -0.812 18507 1415 1 3 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.224 0.663 18507 1416 1 3 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.177 -0.489 18507 1417 1 3 . 1 1 56 56 ILE N N 56 120.457 120.457 120.188 0.269 18507 1418 1 3 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.333 0.219 18507 1419 1 3 . 1 1 56 56 ILE C C 56 175.419 175.419 174.376 1.043 18507 1420 1 3 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.622 1.300 18507 1421 1 3 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.609 -0.118 18507 1422 1 3 . 1 1 56 56 ILE H H 56 8.239 8.239 8.336 -0.097 18507 1423 1 3 . 1 1 57 57 LEU N N 57 127.392 127.392 123.312 4.080 18507 1424 1 3 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.690 -0.184 18507 1425 1 3 . 1 1 57 57 LEU C C 57 175.108 175.108 175.167 -0.059 18507 1426 1 3 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.646 0.096 18507 1427 1 3 . 1 1 57 57 LEU CB C 57 45.170 45.170 46.045 -0.875 18507 1428 1 3 . 1 1 57 57 LEU H H 57 8.828 8.828 7.915 0.913 18507 1429 1 3 . 1 1 58 58 ASP N N 58 124.255 124.255 120.652 3.603 18507 1430 1 3 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.731 -0.103 18507 1431 1 3 . 1 1 58 58 ASP C C 58 175.066 175.066 175.618 -0.552 18507 1432 1 3 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.006 -1.065 18507 1433 1 3 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.506 -0.799 18507 1434 1 3 . 1 1 58 58 ASP H H 58 8.571 8.571 8.364 0.207 18507 1435 1 3 . 1 1 59 59 LEU N N 59 124.092 124.092 125.063 -0.971 18507 1436 1 3 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.779 -0.244 18507 1437 1 3 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.197 -0.324 18507 1438 1 3 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.304 -0.270 18507 1439 1 3 . 1 1 59 59 LEU H H 59 7.681 7.681 7.979 -0.298 18507 1440 1 3 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.505 0.096 18507 1441 1 3 . 1 1 60 60 PRO C C 60 175.599 175.599 176.032 -0.433 18507 1442 1 3 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.137 -0.655 18507 1443 1 3 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.660 0.008 18507 1444 1 3 . 1 1 61 61 GLU N N 61 119.164 119.164 121.742 -2.578 18507 1445 1 3 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.947 -0.088 18507 1446 1 3 . 1 1 61 61 GLU C C 61 176.121 176.121 175.888 0.233 18507 1447 1 3 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.684 -0.226 18507 1448 1 3 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.165 1.084 18507 1449 1 3 . 1 1 61 61 GLU H H 61 8.500 8.500 8.570 -0.070 18507 1450 1 3 . 1 1 62 62 GLY N N 62 111.529 111.529 115.186 -3.657 18507 1451 1 3 . 1 1 62 62 GLY C C 62 171.313 171.313 171.681 -0.368 18507 1452 1 3 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.179 -1.710 18507 1453 1 3 . 1 1 62 62 GLY H H 62 8.845 8.845 8.363 0.482 18507 1454 1 3 . 1 1 63 63 GLU N N 63 119.100 119.100 122.580 -3.480 18507 1455 1 3 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.858 -0.076 18507 1456 1 3 . 1 1 63 63 GLU C C 63 175.530 175.530 174.667 0.863 18507 1457 1 3 . 1 1 63 63 GLU CA C 63 54.978 54.978 55.176 -0.198 18507 1458 1 3 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.681 -1.298 18507 1459 1 3 . 1 1 63 63 GLU H H 63 8.015 8.015 8.308 -0.293 18507 1460 1 3 . 1 1 64 64 HIS N N 64 121.786 121.786 121.329 0.457 18507 1461 1 3 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.034 -0.217 18507 1462 1 3 . 1 1 64 64 HIS C C 64 174.358 174.358 173.278 1.080 18507 1463 1 3 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.505 0.465 18507 1464 1 3 . 1 1 64 64 HIS CB C 64 34.109 34.109 32.996 1.113 18507 1465 1 3 . 1 1 64 64 HIS H H 64 8.830 8.830 9.055 -0.225 18507 1466 1 3 . 1 1 65 65 GLN N N 65 121.667 121.667 118.187 3.480 18507 1467 1 3 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.813 0.948 18507 1468 1 3 . 1 1 65 65 GLN C C 65 175.833 175.833 174.593 1.240 18507 1469 1 3 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.058 -1.225 18507 1470 1 3 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.483 0.781 18507 1471 1 3 . 1 1 65 65 GLN H H 65 8.637 8.637 8.923 -0.286 18507 1472 1 3 . 1 1 66 66 TYR N N 66 116.908 116.908 120.259 -3.351 18507 1473 1 3 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.410 -0.235 18507 1474 1 3 . 1 1 66 66 TYR C C 66 171.751 171.751 174.034 -2.283 18507 1475 1 3 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.804 2.179 18507 1476 1 3 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.719 -0.989 18507 1477 1 3 . 1 1 66 66 TYR H H 66 8.894 8.894 7.609 1.284 18507 1478 1 3 . 1 1 67 67 LYS N N 67 118.307 118.307 117.838 0.469 18507 1479 1 3 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.642 -0.009 18507 1480 1 3 . 1 1 67 67 LYS C C 67 173.317 173.317 174.938 -1.621 18507 1481 1 3 . 1 1 67 67 LYS CA C 67 56.876 56.876 55.163 1.712 18507 1482 1 3 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.755 0.445 18507 1483 1 3 . 1 1 67 67 LYS H H 67 8.927 8.927 8.337 0.590 18507 1484 1 3 . 1 1 68 68 PHE N N 68 118.691 118.691 122.564 -3.873 18507 1485 1 3 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.216 0.315 18507 1486 1 3 . 1 1 68 68 PHE C C 68 173.861 173.861 175.346 -1.485 18507 1487 1 3 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.484 0.464 18507 1488 1 3 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.017 0.254 18507 1489 1 3 . 1 1 68 68 PHE H H 68 8.436 8.436 8.307 0.129 18507 1490 1 3 . 1 1 69 69 PHE N N 69 125.718 125.718 124.115 1.603 18507 1491 1 3 . 1 1 69 69 PHE HA H 69 4.723 4.723 5.017 -0.294 18507 1492 1 3 . 1 1 69 69 PHE C C 69 174.574 174.574 173.306 1.268 18507 1493 1 3 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.421 -0.585 18507 1494 1 3 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.555 -0.399 18507 1495 1 3 . 1 1 69 69 PHE H H 69 9.000 9.000 8.782 0.218 18507 1496 1 3 . 1 1 70 70 VAL N N 70 126.808 126.808 125.480 1.328 18507 1497 1 3 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.635 -0.312 18507 1498 1 3 . 1 1 70 70 VAL C C 70 175.641 175.641 175.757 -0.116 18507 1499 1 3 . 1 1 70 70 VAL CA C 70 60.508 60.508 58.901 1.607 18507 1500 1 3 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.347 -0.877 18507 1501 1 3 . 1 1 70 70 VAL H H 70 8.688 8.688 7.968 0.720 18507 1502 1 3 . 1 1 71 71 ASP N N 71 128.747 128.747 125.730 3.017 18507 1503 1 3 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.161 0.074 18507 1504 1 3 . 1 1 71 71 ASP C C 71 176.119 176.119 176.084 0.035 18507 1505 1 3 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.969 0.680 18507 1506 1 3 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.329 -0.700 18507 1507 1 3 . 1 1 71 71 ASP H H 71 8.890 8.890 9.202 -0.312 18507 1508 1 3 . 1 1 72 72 GLY N N 72 100.856 100.856 103.778 -2.922 18507 1509 1 3 . 1 1 72 72 GLY C C 72 173.149 173.149 173.163 -0.014 18507 1510 1 3 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.006 0.249 18507 1511 1 3 . 1 1 72 72 GLY H H 72 7.437 7.437 8.174 -0.737 18507 1512 1 3 . 1 1 73 73 GLN N N 73 117.716 117.716 114.666 3.050 18507 1513 1 3 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.319 0.161 18507 1514 1 3 . 1 1 73 73 GLN C C 73 173.981 173.981 173.055 0.926 18507 1515 1 3 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.182 0.103 18507 1516 1 3 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.721 1.189 18507 1517 1 3 . 1 1 73 73 GLN H H 73 6.923 6.923 6.632 0.291 18507 1518 1 3 . 1 1 74 74 TRP N N 74 123.738 123.738 121.781 1.957 18507 1519 1 3 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.236 0.577 18507 1520 1 3 . 1 1 74 74 TRP C C 74 177.239 177.239 177.231 0.008 18507 1521 1 3 . 1 1 74 74 TRP CA C 74 56.788 56.788 56.955 -0.167 18507 1522 1 3 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.806 0.112 18507 1523 1 3 . 1 1 74 74 TRP H H 74 8.836 8.836 8.689 0.147 18507 1524 1 3 . 1 1 75 75 VAL N N 75 121.900 121.900 121.497 0.403 18507 1525 1 3 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.800 0.186 18507 1526 1 3 . 1 1 75 75 VAL C C 75 172.903 172.903 173.959 -1.056 18507 1527 1 3 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.116 1.509 18507 1528 1 3 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.465 1.189 18507 1529 1 3 . 1 1 75 75 VAL H H 75 10.049 10.049 8.824 1.225 18507 1530 1 3 . 1 1 76 76 HIS N N 76 119.400 119.400 116.071 3.329 18507 1531 1 3 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.191 0.387 18507 1532 1 3 . 1 1 76 76 HIS C C 76 173.084 173.084 173.600 -0.516 18507 1533 1 3 . 1 1 76 76 HIS CA C 76 54.260 54.260 53.951 0.309 18507 1534 1 3 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.577 0.230 18507 1535 1 3 . 1 1 76 76 HIS H H 76 7.758 7.758 8.110 -0.352 18507 1536 1 3 . 1 1 77 77 ASP N N 77 121.057 121.057 123.339 -2.282 18507 1537 1 3 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.247 -0.143 18507 1538 1 3 . 1 1 77 77 ASP CA C 77 50.464 50.464 51.971 -1.507 18507 1539 1 3 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.554 -0.285 18507 1540 1 3 . 1 1 77 77 ASP H H 77 10.717 10.717 8.887 1.830 18507 1541 1 3 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.553 -0.018 18507 1542 1 3 . 1 1 78 78 PRO C C 78 177.387 177.387 177.187 0.200 18507 1543 1 3 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.305 -0.708 18507 1544 1 3 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.370 -0.044 18507 1545 1 3 . 1 1 79 79 SER N N 79 116.058 116.058 113.699 2.359 18507 1546 1 3 . 1 1 79 79 SER HA H 79 4.477 4.477 4.536 -0.059 18507 1547 1 3 . 1 1 79 79 SER C C 79 173.819 173.819 174.829 -1.010 18507 1548 1 3 . 1 1 79 79 SER CA C 79 59.369 59.369 59.099 0.270 18507 1549 1 3 . 1 1 79 79 SER CB C 79 63.875 63.875 63.509 0.366 18507 1550 1 3 . 1 1 79 79 SER H H 79 8.853 8.853 8.486 0.367 18507 1551 1 3 . 1 1 80 80 GLU N N 80 122.620 122.620 121.239 1.381 18507 1552 1 3 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.698 0.261 18507 1553 1 3 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.566 -0.165 18507 1554 1 3 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.296 0.325 18507 1555 1 3 . 1 1 80 80 GLU H H 80 7.332 7.332 7.566 -0.234 18507 1556 1 3 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.462 -0.023 18507 1557 1 3 . 1 1 81 81 PRO C C 81 177.020 177.020 175.856 1.164 18507 1558 1 3 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.024 0.672 18507 1559 1 3 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.416 -2.197 18507 1560 1 3 . 1 1 82 82 VAL N N 82 114.720 114.720 118.243 -3.523 18507 1561 1 3 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.844 0.623 18507 1562 1 3 . 1 1 82 82 VAL C C 82 175.787 175.787 174.798 0.989 18507 1563 1 3 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.599 -1.000 18507 1564 1 3 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.619 3.139 18507 1565 1 3 . 1 1 82 82 VAL H H 82 8.221 8.221 7.852 0.369 18507 1566 1 3 . 1 1 83 83 VAL N N 83 117.999 117.999 123.976 -5.977 18507 1567 1 3 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.405 0.005 18507 1568 1 3 . 1 1 83 83 VAL C C 83 173.384 173.384 174.584 -1.200 18507 1569 1 3 . 1 1 83 83 VAL CA C 83 59.533 59.533 59.920 -0.387 18507 1570 1 3 . 1 1 83 83 VAL CB C 83 35.305 35.305 35.263 0.042 18507 1571 1 3 . 1 1 83 83 VAL H H 83 8.898 8.898 8.982 -0.084 18507 1572 1 3 . 1 1 84 84 THR N N 84 120.469 120.469 122.547 -2.078 18507 1573 1 3 . 1 1 84 84 THR HA H 84 4.751 4.751 4.530 0.221 18507 1574 1 3 . 1 1 84 84 THR C C 84 174.975 174.975 174.116 0.859 18507 1575 1 3 . 1 1 84 84 THR CA C 84 61.446 61.446 62.725 -1.279 18507 1576 1 3 . 1 1 84 84 THR CB C 84 68.959 68.959 68.208 0.751 18507 1577 1 3 . 1 1 84 84 THR H H 84 8.309 8.309 8.478 -0.169 18507 1578 1 3 . 1 1 85 85 SER N N 85 123.544 123.544 121.289 2.255 18507 1579 1 3 . 1 1 85 85 SER HA H 85 4.533 4.533 4.338 0.195 18507 1580 1 3 . 1 1 85 85 SER CA C 85 57.027 57.027 57.470 -0.443 18507 1581 1 3 . 1 1 85 85 SER CB C 85 65.264 65.264 64.401 0.863 18507 1582 1 3 . 1 1 85 85 SER H H 85 9.137 9.137 8.605 0.532 18507 1583 1 3 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.145 -0.053 18507 1584 1 3 . 1 1 86 86 GLN C C 86 176.451 176.451 176.110 0.341 18507 1585 1 3 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.038 0.032 18507 1586 1 3 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.310 -0.175 18507 1587 1 3 . 1 1 87 87 LEU N N 87 117.032 117.032 118.937 -1.905 18507 1588 1 3 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.409 -0.150 18507 1589 1 3 . 1 1 87 87 LEU C C 87 177.470 177.470 177.516 -0.046 18507 1590 1 3 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.548 0.102 18507 1591 1 3 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.976 0.700 18507 1592 1 3 . 1 1 87 87 LEU H H 87 7.692 7.692 8.108 -0.416 18507 1593 1 3 . 1 1 88 88 GLY N N 88 107.770 107.770 108.736 -0.966 18507 1594 1 3 . 1 1 88 88 GLY C C 88 174.029 174.029 173.842 0.187 18507 1595 1 3 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.585 -0.323 18507 1596 1 3 . 1 1 88 88 GLY H H 88 7.932 7.932 8.153 -0.221 18507 1597 1 3 . 1 1 89 89 THR N N 89 112.596 112.596 112.730 -0.134 18507 1598 1 3 . 1 1 89 89 THR HA H 89 4.259 4.259 4.540 -0.281 18507 1599 1 3 . 1 1 89 89 THR C C 89 172.837 172.837 174.427 -1.590 18507 1600 1 3 . 1 1 89 89 THR CA C 89 60.743 60.743 59.830 0.913 18507 1601 1 3 . 1 1 89 89 THR CB C 89 69.845 69.845 70.349 -0.504 18507 1602 1 3 . 1 1 89 89 THR H H 89 7.148 7.148 7.209 -0.061 18507 1603 1 3 . 1 1 90 90 ILE N N 90 123.927 123.927 127.235 -3.308 18507 1604 1 3 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.217 0.193 18507 1605 1 3 . 1 1 90 90 ILE C C 90 175.007 175.007 175.173 -0.166 18507 1606 1 3 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.383 0.168 18507 1607 1 3 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.633 2.302 18507 1608 1 3 . 1 1 90 90 ILE H H 90 8.514 8.514 8.814 -0.300 18507 1609 1 3 . 1 1 91 91 ASN N N 91 123.450 123.450 123.356 0.094 18507 1610 1 3 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.938 0.349 18507 1611 1 3 . 1 1 91 91 ASN C C 91 175.916 175.916 173.681 2.235 18507 1612 1 3 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.587 -0.611 18507 1613 1 3 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.365 0.811 18507 1614 1 3 . 1 1 91 91 ASN H H 91 8.497 8.497 8.640 -0.143 18507 1615 1 3 . 1 1 92 92 ASN N N 92 115.675 115.675 117.555 -1.880 18507 1616 1 3 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.707 0.904 18507 1617 1 3 . 1 1 92 92 ASN C C 92 173.765 173.765 173.664 0.101 18507 1618 1 3 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.915 0.897 18507 1619 1 3 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.187 2.556 18507 1620 1 3 . 1 1 92 92 ASN H H 92 8.721 8.721 8.332 0.388 18507 1621 1 3 . 1 1 93 93 LEU N N 93 120.001 120.001 119.607 0.394 18507 1622 1 3 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.708 0.629 18507 1623 1 3 . 1 1 93 93 LEU C C 93 175.864 175.864 174.886 0.978 18507 1624 1 3 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.264 -0.742 18507 1625 1 3 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.385 1.738 18507 1626 1 3 . 1 1 93 93 LEU H H 93 7.661 7.661 8.187 -0.526 18507 1627 1 3 . 1 1 94 94 ILE N N 94 124.682 124.682 124.580 0.102 18507 1628 1 3 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.535 0.312 18507 1629 1 3 . 1 1 94 94 ILE C C 94 172.078 172.078 173.153 -1.075 18507 1630 1 3 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.021 -0.670 18507 1631 1 3 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.550 -0.459 18507 1632 1 3 . 1 1 94 94 ILE H H 94 9.282 9.282 9.199 0.083 18507 1633 1 3 . 1 1 95 95 HIS N N 95 126.782 126.782 125.976 0.806 18507 1634 1 3 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.148 -0.038 18507 1635 1 3 . 1 1 95 95 HIS C C 95 174.655 174.655 174.329 0.326 18507 1636 1 3 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.681 -0.347 18507 1637 1 3 . 1 1 95 95 HIS CB C 95 31.399 31.399 31.289 0.110 18507 1638 1 3 . 1 1 95 95 HIS H H 95 8.690 8.690 8.524 0.166 18507 1639 1 3 . 1 1 96 96 VAL N N 96 128.616 128.616 125.090 3.526 18507 1640 1 3 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.334 -0.219 18507 1641 1 3 . 1 1 96 96 VAL C C 96 175.515 175.515 175.577 -0.062 18507 1642 1 3 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.297 1.205 18507 1643 1 3 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.101 -0.769 18507 1644 1 3 . 1 1 96 96 VAL H H 96 9.082 9.082 8.818 0.264 18507 1645 1 3 . 1 1 97 97 LYS N N 97 128.692 128.692 125.474 3.218 18507 1646 1 3 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.667 -0.117 18507 1647 1 3 . 1 1 97 97 LYS C C 97 176.019 176.019 175.771 0.248 18507 1648 1 3 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.319 0.772 18507 1649 1 3 . 1 1 97 97 LYS CB C 97 34.588 34.588 34.965 -0.377 18507 1650 1 3 . 1 1 97 97 LYS H H 97 8.708 8.708 8.510 0.198 18507 1651 1 3 . 1 1 98 98 LYS N N 98 122.635 122.635 119.923 2.712 18507 1652 1 3 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.487 -0.365 18507 1653 1 3 . 1 1 98 98 LYS C C 98 176.947 176.947 176.149 0.798 18507 1654 1 3 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.980 1.252 18507 1655 1 3 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.655 -0.806 18507 1656 1 3 . 1 1 98 98 LYS H H 98 8.717 8.717 8.520 0.197 18507 1657 1 3 . 1 1 99 99 SER N N 99 116.737 116.737 114.609 2.128 18507 1658 1 3 . 1 1 99 99 SER HA H 99 4.357 4.357 4.561 -0.204 18507 1659 1 3 . 1 1 99 99 SER C C 99 174.335 174.335 173.935 0.400 18507 1660 1 3 . 1 1 99 99 SER CA C 99 58.240 58.240 58.468 -0.228 18507 1661 1 3 . 1 1 99 99 SER CB C 99 63.664 63.664 63.474 0.190 18507 1662 1 3 . 1 1 99 99 SER H H 99 8.393 8.393 8.681 -0.288 18507 1663 1 3 . 1 1 100 100 ASP N N 100 122.287 122.287 120.112 2.175 18507 1664 1 3 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.765 -0.239 18507 1665 1 3 . 1 1 100 100 ASP C C 100 175.823 175.823 176.210 -0.387 18507 1666 1 3 . 1 1 100 100 ASP CA C 100 54.813 54.813 55.157 -0.344 18507 1667 1 3 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.535 -0.598 18507 1668 1 3 . 1 1 100 100 ASP H H 100 8.288 8.288 8.253 0.035 18507 1669 1 3 . 1 1 101 101 PHE N N 101 118.668 118.668 120.180 -1.512 18507 1670 1 3 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.464 0.111 18507 1671 1 3 . 1 1 101 101 PHE C C 101 175.279 175.279 176.072 -0.793 18507 1672 1 3 . 1 1 101 101 PHE CA C 101 57.462 57.462 59.612 -2.150 18507 1673 1 3 . 1 1 101 101 PHE CB C 101 39.557 39.557 40.225 -0.668 18507 1674 1 3 . 1 1 101 101 PHE H H 101 7.923 7.923 7.812 0.111 18507 1675 1 3 . 1 1 102 102 GLU N N 102 122.081 122.081 119.786 2.295 18507 1676 1 3 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.607 0.573 18507 1677 1 3 . 1 1 102 102 GLU C C 102 175.388 175.388 176.508 -1.120 18507 1678 1 3 . 1 1 102 102 GLU CA C 102 56.308 56.308 58.119 -1.811 18507 1679 1 3 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.241 1.344 18507 1680 1 3 . 1 1 102 102 GLU H H 102 8.138 8.138 8.824 -0.686 18507 1681 1 3 . 1 1 103 103 VAL N N 103 120.545 120.545 119.619 0.926 18507 1682 1 3 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.945 0.079 18507 1683 1 3 . 1 1 103 103 VAL C C 103 175.359 175.359 175.353 0.006 18507 1684 1 3 . 1 1 103 103 VAL CA C 103 61.673 61.673 62.049 -0.376 18507 1685 1 3 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.362 0.736 18507 1686 1 3 . 1 1 103 103 VAL H H 103 7.934 7.934 7.464 0.470 18507 1687 1 3 . 1 1 104 104 PHE N N 104 124.359 124.359 123.851 0.508 18507 1688 1 3 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.568 0.127 18507 1689 1 3 . 1 1 104 104 PHE C C 104 174.530 174.530 175.362 -0.832 18507 1690 1 3 . 1 1 104 104 PHE CA C 104 57.140 57.140 57.545 -0.406 18507 1691 1 3 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.764 0.200 18507 1692 1 3 . 1 1 104 104 PHE H H 104 8.340 8.340 8.394 -0.054 18507 1693 1 4 . 1 1 2 2 ALA N N 2 129.609 129.609 122.120 7.489 18507 1694 1 4 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.146 0.190 18507 1695 1 4 . 1 1 2 2 ALA C C 2 177.730 177.730 176.531 1.199 18507 1696 1 4 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.709 -0.119 18507 1697 1 4 . 1 1 2 2 ALA CB C 2 19.509 19.509 18.338 1.171 18507 1698 1 4 . 1 1 2 2 ALA H H 2 8.252 8.252 8.109 0.143 18507 1699 1 4 . 1 1 3 3 MET N N 3 119.597 119.597 119.039 0.558 18507 1700 1 4 . 1 1 3 3 MET HA H 3 4.457 4.457 4.664 -0.207 18507 1701 1 4 . 1 1 3 3 MET C C 3 176.640 176.640 176.446 0.194 18507 1702 1 4 . 1 1 3 3 MET CA C 3 55.433 55.433 55.433 -0.000 18507 1703 1 4 . 1 1 3 3 MET CB C 3 32.141 32.141 33.536 -1.395 18507 1704 1 4 . 1 1 3 3 MET H H 3 8.526 8.526 7.959 0.567 18507 1705 1 4 . 1 1 4 4 GLY N N 4 110.104 110.104 110.397 -0.293 18507 1706 1 4 . 1 1 4 4 GLY C C 4 173.846 173.846 172.895 0.951 18507 1707 1 4 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.809 0.480 18507 1708 1 4 . 1 1 4 4 GLY H H 4 8.388 8.388 8.365 0.023 18507 1709 1 4 . 1 1 5 5 ILE N N 5 120.177 120.177 121.033 -0.856 18507 1710 1 4 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.388 -0.246 18507 1711 1 4 . 1 1 5 5 ILE C C 5 176.245 176.245 176.027 0.218 18507 1712 1 4 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.400 0.306 18507 1713 1 4 . 1 1 5 5 ILE CB C 5 38.686 38.686 39.276 -0.590 18507 1714 1 4 . 1 1 5 5 ILE H H 5 7.995 7.995 8.250 -0.255 18507 1715 1 4 . 1 1 6 6 ARG N N 6 125.295 125.295 127.808 -2.513 18507 1716 1 4 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.522 -0.175 18507 1717 1 4 . 1 1 6 6 ARG C C 6 174.908 174.908 175.159 -0.251 18507 1718 1 4 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.743 0.069 18507 1719 1 4 . 1 1 6 6 ARG CB C 6 30.829 30.829 30.004 0.825 18507 1720 1 4 . 1 1 6 6 ARG H H 6 8.451 8.451 8.538 -0.087 18507 1721 1 4 . 1 1 7 7 ASN N N 7 125.979 125.979 119.033 6.946 18507 1722 1 4 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.796 -0.313 18507 1723 1 4 . 1 1 7 7 ASN C C 7 175.993 175.993 175.619 0.374 18507 1724 1 4 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.793 1.906 18507 1725 1 4 . 1 1 7 7 ASN CB C 7 40.744 40.744 40.008 0.736 18507 1726 1 4 . 1 1 7 7 ASN H H 7 8.072 8.072 7.961 0.111 18507 1727 1 4 . 1 1 8 8 SER N N 8 120.939 120.939 115.069 5.870 18507 1728 1 4 . 1 1 8 8 SER C C 8 174.402 174.402 174.473 -0.071 18507 1729 1 4 . 1 1 8 8 SER CA C 8 58.678 58.678 58.471 0.207 18507 1730 1 4 . 1 1 8 8 SER CB C 8 63.735 63.735 62.356 1.379 18507 1731 1 4 . 1 1 8 8 SER H H 8 8.363 8.363 8.719 -0.356 18507 1732 1 4 . 1 1 9 9 ASP N N 9 122.169 122.169 119.900 2.269 18507 1733 1 4 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.451 0.161 18507 1734 1 4 . 1 1 9 9 ASP C C 9 176.302 176.302 177.046 -0.744 18507 1735 1 4 . 1 1 9 9 ASP CA C 9 54.667 54.667 55.419 -0.752 18507 1736 1 4 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.245 -0.153 18507 1737 1 4 . 1 1 9 9 ASP H H 9 8.334 8.334 8.627 -0.293 18507 1738 1 4 . 1 1 10 10 SER N N 10 115.330 115.330 113.672 1.658 18507 1739 1 4 . 1 1 10 10 SER HA H 10 4.408 4.408 4.517 -0.109 18507 1740 1 4 . 1 1 10 10 SER C C 10 174.338 174.338 172.148 2.190 18507 1741 1 4 . 1 1 10 10 SER CA C 10 58.421 58.421 57.739 0.682 18507 1742 1 4 . 1 1 10 10 SER CB C 10 63.749 63.749 64.301 -0.552 18507 1743 1 4 . 1 1 10 10 SER H H 10 8.130 8.130 7.734 0.396 18507 1744 1 4 . 1 1 11 11 VAL N N 11 121.719 121.719 119.123 2.596 18507 1745 1 4 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.551 -0.463 18507 1746 1 4 . 1 1 11 11 VAL C C 11 175.837 175.837 174.306 1.531 18507 1747 1 4 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.467 0.505 18507 1748 1 4 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.631 -1.123 18507 1749 1 4 . 1 1 11 11 VAL H H 11 8.040 8.040 8.135 -0.095 18507 1750 1 4 . 1 1 12 12 LYS N N 12 126.544 126.544 122.674 3.870 18507 1751 1 4 . 1 1 12 12 LYS H H 12 8.349 8.349 8.572 -0.223 18507 1752 1 4 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.398 0.061 18507 1753 1 4 . 1 1 13 13 PRO C C 13 177.038 177.038 176.869 0.169 18507 1754 1 4 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.267 -0.398 18507 1755 1 4 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.718 0.464 18507 1756 1 4 . 1 1 14 14 THR N N 14 114.515 114.515 112.565 1.950 18507 1757 1 4 . 1 1 14 14 THR HA H 14 4.255 4.255 4.151 0.104 18507 1758 1 4 . 1 1 14 14 THR C C 14 174.477 174.477 174.761 -0.284 18507 1759 1 4 . 1 1 14 14 THR CA C 14 61.813 61.813 61.405 0.408 18507 1760 1 4 . 1 1 14 14 THR CB C 14 69.675 69.675 69.497 0.178 18507 1761 1 4 . 1 1 14 14 THR H H 14 8.234 8.234 7.648 0.586 18507 1762 1 4 . 1 1 15 15 GLN N N 15 122.586 122.586 119.696 2.890 18507 1763 1 4 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.146 0.200 18507 1764 1 4 . 1 1 15 15 GLN C C 15 175.452 175.452 175.925 -0.473 18507 1765 1 4 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.682 -1.120 18507 1766 1 4 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.238 0.297 18507 1767 1 4 . 1 1 15 15 GLN H H 15 8.380 8.380 8.373 0.007 18507 1768 1 4 . 1 1 16 16 GLN N N 16 122.137 122.137 119.567 2.570 18507 1769 1 4 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.375 -0.115 18507 1770 1 4 . 1 1 16 16 GLN C C 16 175.050 175.050 174.666 0.384 18507 1771 1 4 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.349 0.193 18507 1772 1 4 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.397 0.329 18507 1773 1 4 . 1 1 16 16 GLN H H 16 8.457 8.457 8.487 -0.030 18507 1774 1 4 . 1 1 17 17 ALA N N 17 125.292 125.292 122.175 3.117 18507 1775 1 4 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.454 -0.143 18507 1776 1 4 . 1 1 17 17 ALA C C 17 176.628 176.628 175.953 0.675 18507 1777 1 4 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.722 -0.010 18507 1778 1 4 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.759 -0.792 18507 1779 1 4 . 1 1 17 17 ALA H H 17 8.323 8.323 8.268 0.055 18507 1780 1 4 . 1 1 18 18 ARG N N 18 122.106 122.106 120.275 1.831 18507 1781 1 4 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.716 -0.095 18507 1782 1 4 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.562 -0.336 18507 1783 1 4 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.596 0.179 18507 1784 1 4 . 1 1 18 18 ARG H H 18 8.591 8.591 8.655 -0.064 18507 1785 1 4 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.498 0.086 18507 1786 1 4 . 1 1 19 19 PRO C C 19 176.098 176.098 176.243 -0.145 18507 1787 1 4 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.508 0.453 18507 1788 1 4 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.341 -0.196 18507 1789 1 4 . 1 1 20 20 THR N N 20 121.694 121.694 113.519 8.175 18507 1790 1 4 . 1 1 20 20 THR HA H 20 4.228 4.228 4.290 -0.062 18507 1791 1 4 . 1 1 20 20 THR C C 20 172.413 172.413 174.238 -1.825 18507 1792 1 4 . 1 1 20 20 THR CA C 20 62.891 62.891 59.930 2.961 18507 1793 1 4 . 1 1 20 20 THR CB C 20 71.036 71.036 69.845 1.191 18507 1794 1 4 . 1 1 20 20 THR H H 20 9.046 9.046 8.127 0.919 18507 1795 1 4 . 1 1 21 21 VAL N N 21 127.141 127.141 125.002 2.139 18507 1796 1 4 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.233 0.314 18507 1797 1 4 . 1 1 21 21 VAL C C 21 175.345 175.345 174.479 0.866 18507 1798 1 4 . 1 1 21 21 VAL CA C 21 61.780 61.780 61.593 0.187 18507 1799 1 4 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.530 0.728 18507 1800 1 4 . 1 1 21 21 VAL H H 21 8.572 8.572 8.389 0.183 18507 1801 1 4 . 1 1 22 22 ILE N N 22 130.341 130.341 126.589 3.752 18507 1802 1 4 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.535 -0.242 18507 1803 1 4 . 1 1 22 22 ILE C C 22 173.794 173.794 174.655 -0.861 18507 1804 1 4 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.543 -1.092 18507 1805 1 4 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.304 -2.640 18507 1806 1 4 . 1 1 22 22 ILE H H 22 8.913 8.913 8.116 0.797 18507 1807 1 4 . 1 1 23 23 ARG N N 23 125.596 125.596 125.995 -0.399 18507 1808 1 4 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.098 0.411 18507 1809 1 4 . 1 1 23 23 ARG C C 23 174.125 174.125 174.518 -0.393 18507 1810 1 4 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.181 -1.176 18507 1811 1 4 . 1 1 23 23 ARG CB C 23 34.584 34.584 32.013 2.571 18507 1812 1 4 . 1 1 23 23 ARG H H 23 8.595 8.595 8.919 -0.324 18507 1813 1 4 . 1 1 24 24 TRP N N 24 123.124 123.124 128.211 -5.087 18507 1814 1 4 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.950 -0.163 18507 1815 1 4 . 1 1 24 24 TRP C C 24 177.208 177.208 173.735 3.473 18507 1816 1 4 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.385 -0.411 18507 1817 1 4 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.572 -0.165 18507 1818 1 4 . 1 1 24 24 TRP H H 24 9.098 9.098 9.248 -0.150 18507 1819 1 4 . 1 1 25 25 SER N N 25 123.623 123.623 121.962 1.661 18507 1820 1 4 . 1 1 25 25 SER HA H 25 4.827 4.827 4.735 0.092 18507 1821 1 4 . 1 1 25 25 SER CA C 25 58.442 58.442 57.120 1.322 18507 1822 1 4 . 1 1 25 25 SER CB C 25 63.993 63.993 64.163 -0.170 18507 1823 1 4 . 1 1 25 25 SER H H 25 8.837 8.837 8.053 0.784 18507 1824 1 4 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.366 -0.225 18507 1825 1 4 . 1 1 26 26 GLU C C 26 175.915 175.915 176.232 -0.317 18507 1826 1 4 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.837 -1.573 18507 1827 1 4 . 1 1 26 26 GLU CB C 26 29.284 29.284 31.072 -1.788 18507 1828 1 4 . 1 1 27 27 GLY N N 27 109.186 109.186 109.778 -0.592 18507 1829 1 4 . 1 1 27 27 GLY C C 27 173.380 173.380 174.029 -0.649 18507 1830 1 4 . 1 1 27 27 GLY CA C 27 44.632 44.632 44.870 -0.238 18507 1831 1 4 . 1 1 27 27 GLY H H 27 8.434 8.434 8.300 0.134 18507 1832 1 4 . 1 1 28 28 GLY N N 28 106.478 106.478 107.811 -1.333 18507 1833 1 4 . 1 1 28 28 GLY C C 28 172.572 172.572 174.343 -1.771 18507 1834 1 4 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.079 -0.382 18507 1835 1 4 . 1 1 28 28 GLY H H 28 7.948 7.948 7.879 0.069 18507 1836 1 4 . 1 1 29 29 LYS N N 29 120.742 120.742 118.901 1.841 18507 1837 1 4 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.445 0.170 18507 1838 1 4 . 1 1 29 29 LYS C C 29 177.173 177.173 175.666 1.507 18507 1839 1 4 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.848 1.103 18507 1840 1 4 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.072 0.763 18507 1841 1 4 . 1 1 29 29 LYS H H 29 10.077 10.077 8.438 1.639 18507 1842 1 4 . 1 1 30 30 GLU N N 30 121.578 121.578 118.066 3.512 18507 1843 1 4 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.442 -0.245 18507 1844 1 4 . 1 1 30 30 GLU C C 30 173.541 173.541 173.377 0.164 18507 1845 1 4 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.379 0.601 18507 1846 1 4 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.433 1.040 18507 1847 1 4 . 1 1 30 30 GLU H H 30 8.810 8.810 7.766 1.044 18507 1848 1 4 . 1 1 31 31 VAL N N 31 124.182 124.182 122.929 1.253 18507 1849 1 4 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.585 -0.045 18507 1850 1 4 . 1 1 31 31 VAL C C 31 173.552 173.552 174.240 -0.688 18507 1851 1 4 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.485 0.750 18507 1852 1 4 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.118 2.143 18507 1853 1 4 . 1 1 31 31 VAL H H 31 7.704 7.704 8.326 -0.622 18507 1854 1 4 . 1 1 32 32 PHE N N 32 123.930 123.930 125.125 -1.195 18507 1855 1 4 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.407 0.160 18507 1856 1 4 . 1 1 32 32 PHE C C 32 174.872 174.872 174.441 0.431 18507 1857 1 4 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.316 -1.331 18507 1858 1 4 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.945 0.404 18507 1859 1 4 . 1 1 32 32 PHE H H 32 8.856 8.856 8.154 0.702 18507 1860 1 4 . 1 1 33 33 ILE N N 33 116.493 116.493 121.314 -4.821 18507 1861 1 4 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.565 -0.085 18507 1862 1 4 . 1 1 33 33 ILE C C 33 174.067 174.067 174.149 -0.082 18507 1863 1 4 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.126 0.383 18507 1864 1 4 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.853 1.441 18507 1865 1 4 . 1 1 33 33 ILE H H 33 9.316 9.316 9.172 0.144 18507 1866 1 4 . 1 1 34 34 SER N N 34 116.962 116.962 121.340 -4.378 18507 1867 1 4 . 1 1 34 34 SER HA H 34 4.496 4.496 4.781 -0.285 18507 1868 1 4 . 1 1 34 34 SER C C 34 170.691 170.691 171.972 -1.281 18507 1869 1 4 . 1 1 34 34 SER CA C 34 57.343 57.343 57.264 0.078 18507 1870 1 4 . 1 1 34 34 SER CB C 34 67.249 67.249 65.330 1.919 18507 1871 1 4 . 1 1 34 34 SER H H 34 8.518 8.518 8.566 -0.048 18507 1872 1 4 . 1 1 35 35 GLY N N 35 106.806 106.806 109.462 -2.656 18507 1873 1 4 . 1 1 35 35 GLY C C 35 172.451 172.451 172.379 0.072 18507 1874 1 4 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.322 1.739 18507 1875 1 4 . 1 1 35 35 GLY H H 35 7.200 7.200 7.107 0.093 18507 1876 1 4 . 1 1 36 36 SER N N 36 115.550 115.550 116.214 -0.664 18507 1877 1 4 . 1 1 36 36 SER HA H 36 3.388 3.388 4.316 -0.928 18507 1878 1 4 . 1 1 36 36 SER C C 36 177.094 177.094 176.999 0.095 18507 1879 1 4 . 1 1 36 36 SER CA C 36 60.882 60.882 60.759 0.123 18507 1880 1 4 . 1 1 36 36 SER CB C 36 61.978 61.978 63.321 -1.343 18507 1881 1 4 . 1 1 36 36 SER H H 36 8.952 8.952 7.907 1.045 18507 1882 1 4 . 1 1 37 37 PHE N N 37 118.633 118.633 118.624 0.009 18507 1883 1 4 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.272 0.189 18507 1884 1 4 . 1 1 37 37 PHE C C 37 175.254 175.254 175.463 -0.209 18507 1885 1 4 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.579 -1.823 18507 1886 1 4 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.744 0.019 18507 1887 1 4 . 1 1 37 37 PHE H H 37 6.475 6.475 7.959 -1.484 18507 1888 1 4 . 1 1 38 38 ASN N N 38 119.885 119.885 116.102 3.783 18507 1889 1 4 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.678 0.262 18507 1890 1 4 . 1 1 38 38 ASN C C 38 175.954 175.954 174.993 0.961 18507 1891 1 4 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.748 -0.467 18507 1892 1 4 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.750 -2.549 18507 1893 1 4 . 1 1 38 38 ASN H H 38 6.610 6.610 6.956 -0.346 18507 1894 1 4 . 1 1 39 39 ASN N N 39 117.264 117.264 118.327 -1.063 18507 1895 1 4 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.463 -0.153 18507 1896 1 4 . 1 1 39 39 ASN C C 39 173.171 173.171 174.735 -1.564 18507 1897 1 4 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.359 0.429 18507 1898 1 4 . 1 1 39 39 ASN CB C 39 36.994 36.994 36.968 0.026 18507 1899 1 4 . 1 1 39 39 ASN H H 39 7.822 7.822 7.906 -0.084 18507 1900 1 4 . 1 1 40 40 TRP N N 40 113.463 113.463 112.234 1.229 18507 1901 1 4 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.136 -0.135 18507 1902 1 4 . 1 1 40 40 TRP C C 40 177.457 177.457 176.816 0.641 18507 1903 1 4 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.921 -0.336 18507 1904 1 4 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.523 -1.736 18507 1905 1 4 . 1 1 40 40 TRP H H 40 8.300 8.300 7.613 0.687 18507 1906 1 4 . 1 1 41 41 SER N N 41 113.321 113.321 114.214 -0.893 18507 1907 1 4 . 1 1 41 41 SER HA H 41 4.216 4.216 4.641 -0.425 18507 1908 1 4 . 1 1 41 41 SER C C 41 174.913 174.913 174.297 0.616 18507 1909 1 4 . 1 1 41 41 SER CA C 41 60.460 60.460 58.993 1.467 18507 1910 1 4 . 1 1 41 41 SER CB C 41 64.591 64.591 64.260 0.331 18507 1911 1 4 . 1 1 41 41 SER H H 41 7.549 7.549 8.273 -0.724 18507 1912 1 4 . 1 1 42 42 THR N N 42 112.097 112.097 115.091 -2.994 18507 1913 1 4 . 1 1 42 42 THR HA H 42 4.576 4.576 4.408 0.168 18507 1914 1 4 . 1 1 42 42 THR C C 42 174.798 174.798 172.214 2.584 18507 1915 1 4 . 1 1 42 42 THR CA C 42 59.920 59.920 61.851 -1.931 18507 1916 1 4 . 1 1 42 42 THR CB C 42 71.457 71.457 69.920 1.537 18507 1917 1 4 . 1 1 42 42 THR H H 42 7.088 7.088 7.788 -0.700 18507 1918 1 4 . 1 1 43 43 LYS N N 43 122.104 122.104 126.551 -4.447 18507 1919 1 4 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.764 -0.092 18507 1920 1 4 . 1 1 43 43 LYS C C 43 174.839 174.839 175.987 -1.148 18507 1921 1 4 . 1 1 43 43 LYS CA C 43 55.293 55.293 55.226 0.067 18507 1922 1 4 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.438 -0.100 18507 1923 1 4 . 1 1 43 43 LYS H H 43 8.466 8.466 8.364 0.102 18507 1924 1 4 . 1 1 44 44 ILE N N 44 128.655 128.655 126.619 2.036 18507 1925 1 4 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.562 0.066 18507 1926 1 4 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.242 0.330 18507 1927 1 4 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.687 1.417 18507 1928 1 4 . 1 1 44 44 ILE H H 44 9.596 9.596 9.159 0.437 18507 1929 1 4 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.350 -0.045 18507 1930 1 4 . 1 1 45 45 PRO C C 45 174.315 174.315 176.089 -1.774 18507 1931 1 4 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.548 0.183 18507 1932 1 4 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.358 -0.112 18507 1933 1 4 . 1 1 46 46 LEU N N 46 122.198 122.198 124.733 -2.535 18507 1934 1 4 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.509 0.004 18507 1935 1 4 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.900 1.653 18507 1936 1 4 . 1 1 46 46 LEU CB C 46 42.810 42.810 43.073 -0.263 18507 1937 1 4 . 1 1 46 46 LEU H H 46 8.157 8.157 7.538 0.619 18507 1938 1 4 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.882 0.468 18507 1939 1 4 . 1 1 47 47 ILE C C 47 175.903 175.903 176.048 -0.145 18507 1940 1 4 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.099 -1.685 18507 1941 1 4 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.755 2.641 18507 1942 1 4 . 1 1 48 48 LYS N N 48 128.033 128.033 129.152 -1.119 18507 1943 1 4 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.912 -0.006 18507 1944 1 4 . 1 1 48 48 LYS C C 48 176.252 176.252 175.586 0.666 18507 1945 1 4 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.973 -0.271 18507 1946 1 4 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.495 0.101 18507 1947 1 4 . 1 1 48 48 LYS H H 48 8.661 8.661 8.354 0.307 18507 1948 1 4 . 1 1 49 49 SER N N 49 122.194 122.194 118.838 3.356 18507 1949 1 4 . 1 1 49 49 SER HA H 49 4.367 4.367 4.602 -0.235 18507 1950 1 4 . 1 1 49 49 SER CA C 49 56.282 56.282 56.093 0.189 18507 1951 1 4 . 1 1 49 49 SER CB C 49 62.849 62.849 64.912 -2.063 18507 1952 1 4 . 1 1 49 49 SER H H 49 8.638 8.638 8.124 0.514 18507 1953 1 4 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.296 -0.254 18507 1954 1 4 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.447 -0.463 18507 1955 1 4 . 1 1 50 50 HIS CB C 50 27.897 27.897 30.099 -2.202 18507 1956 1 4 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.537 0.178 18507 1957 1 4 . 1 1 51 51 ASN C C 51 174.091 174.091 174.261 -0.170 18507 1958 1 4 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.143 -0.367 18507 1959 1 4 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.167 -0.033 18507 1960 1 4 . 1 1 52 52 ASP N N 52 119.149 119.149 114.432 4.717 18507 1961 1 4 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.457 0.505 18507 1962 1 4 . 1 1 52 52 ASP C C 52 174.069 174.069 174.076 -0.007 18507 1963 1 4 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.306 0.237 18507 1964 1 4 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.263 1.293 18507 1965 1 4 . 1 1 52 52 ASP H H 52 8.031 8.031 7.411 0.620 18507 1966 1 4 . 1 1 53 53 PHE N N 53 118.169 118.169 117.638 0.531 18507 1967 1 4 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.763 0.387 18507 1968 1 4 . 1 1 53 53 PHE C C 53 175.583 175.583 175.878 -0.295 18507 1969 1 4 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.373 -1.002 18507 1970 1 4 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.454 1.437 18507 1971 1 4 . 1 1 53 53 PHE H H 53 8.534 8.534 8.696 -0.162 18507 1972 1 4 . 1 1 54 54 VAL N N 54 118.983 118.983 113.618 5.365 18507 1973 1 4 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.857 0.468 18507 1974 1 4 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.700 0.434 18507 1975 1 4 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.189 0.560 18507 1976 1 4 . 1 1 54 54 VAL H H 54 9.324 9.324 8.084 1.240 18507 1977 1 4 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.778 -0.071 18507 1978 1 4 . 1 1 55 55 ALA C C 55 174.786 174.786 175.795 -1.009 18507 1979 1 4 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.221 0.666 18507 1980 1 4 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.186 -0.499 18507 1981 1 4 . 1 1 56 56 ILE N N 56 120.457 120.457 120.900 -0.443 18507 1982 1 4 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.359 0.193 18507 1983 1 4 . 1 1 56 56 ILE C C 56 175.419 175.419 174.825 0.594 18507 1984 1 4 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.523 1.399 18507 1985 1 4 . 1 1 56 56 ILE CB C 56 38.491 38.491 39.263 -0.771 18507 1986 1 4 . 1 1 56 56 ILE H H 56 8.239 8.239 8.316 -0.077 18507 1987 1 4 . 1 1 57 57 LEU N N 57 127.392 127.392 121.113 6.279 18507 1988 1 4 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.575 -0.069 18507 1989 1 4 . 1 1 57 57 LEU C C 57 175.108 175.108 175.411 -0.303 18507 1990 1 4 . 1 1 57 57 LEU CA C 57 52.742 52.742 53.528 -0.786 18507 1991 1 4 . 1 1 57 57 LEU CB C 57 45.170 45.170 44.941 0.229 18507 1992 1 4 . 1 1 57 57 LEU H H 57 8.828 8.828 8.117 0.712 18507 1993 1 4 . 1 1 58 58 ASP N N 58 124.255 124.255 121.297 2.958 18507 1994 1 4 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.582 0.046 18507 1995 1 4 . 1 1 58 58 ASP C C 58 175.066 175.066 175.648 -0.582 18507 1996 1 4 . 1 1 58 58 ASP CA C 58 52.941 52.941 53.796 -0.855 18507 1997 1 4 . 1 1 58 58 ASP CB C 58 39.707 39.707 39.681 0.026 18507 1998 1 4 . 1 1 58 58 ASP H H 58 8.571 8.571 8.293 0.278 18507 1999 1 4 . 1 1 59 59 LEU N N 59 124.092 124.092 124.199 -0.107 18507 2000 1 4 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.688 -0.153 18507 2001 1 4 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.645 -0.772 18507 2002 1 4 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.407 -0.373 18507 2003 1 4 . 1 1 59 59 LEU H H 59 7.681 7.681 8.300 -0.619 18507 2004 1 4 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.509 0.092 18507 2005 1 4 . 1 1 60 60 PRO C C 60 175.599 175.599 176.020 -0.421 18507 2006 1 4 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.183 -0.701 18507 2007 1 4 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.664 0.004 18507 2008 1 4 . 1 1 61 61 GLU N N 61 119.164 119.164 121.667 -2.503 18507 2009 1 4 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.949 -0.090 18507 2010 1 4 . 1 1 61 61 GLU C C 61 176.121 176.121 175.901 0.220 18507 2011 1 4 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.621 -0.163 18507 2012 1 4 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.197 1.052 18507 2013 1 4 . 1 1 61 61 GLU H H 61 8.500 8.500 8.532 -0.032 18507 2014 1 4 . 1 1 62 62 GLY N N 62 111.529 111.529 115.091 -3.562 18507 2015 1 4 . 1 1 62 62 GLY C C 62 171.313 171.313 171.619 -0.306 18507 2016 1 4 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.087 -1.618 18507 2017 1 4 . 1 1 62 62 GLY H H 62 8.845 8.845 8.418 0.427 18507 2018 1 4 . 1 1 63 63 GLU N N 63 119.100 119.100 122.022 -2.922 18507 2019 1 4 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.804 -0.022 18507 2020 1 4 . 1 1 63 63 GLU C C 63 175.530 175.530 174.792 0.738 18507 2021 1 4 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.665 0.313 18507 2022 1 4 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.038 -0.655 18507 2023 1 4 . 1 1 63 63 GLU H H 63 8.015 8.015 8.268 -0.253 18507 2024 1 4 . 1 1 64 64 HIS N N 64 121.786 121.786 122.134 -0.348 18507 2025 1 4 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.107 -0.290 18507 2026 1 4 . 1 1 64 64 HIS C C 64 174.358 174.358 173.574 0.784 18507 2027 1 4 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.592 0.378 18507 2028 1 4 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.797 0.312 18507 2029 1 4 . 1 1 64 64 HIS H H 64 8.830 8.830 9.083 -0.253 18507 2030 1 4 . 1 1 65 65 GLN N N 65 121.667 121.667 118.899 2.768 18507 2031 1 4 . 1 1 65 65 GLN HA H 65 5.761 5.761 5.011 0.750 18507 2032 1 4 . 1 1 65 65 GLN C C 65 175.833 175.833 174.620 1.213 18507 2033 1 4 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.117 -1.284 18507 2034 1 4 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.751 0.514 18507 2035 1 4 . 1 1 65 65 GLN H H 65 8.637 8.637 8.793 -0.156 18507 2036 1 4 . 1 1 66 66 TYR N N 66 116.908 116.908 120.562 -3.654 18507 2037 1 4 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.345 -0.170 18507 2038 1 4 . 1 1 66 66 TYR C C 66 171.751 171.751 173.898 -2.147 18507 2039 1 4 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.677 2.306 18507 2040 1 4 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.631 -0.901 18507 2041 1 4 . 1 1 66 66 TYR H H 66 8.894 8.894 7.727 1.167 18507 2042 1 4 . 1 1 67 67 LYS N N 67 118.307 118.307 117.987 0.320 18507 2043 1 4 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.669 -0.036 18507 2044 1 4 . 1 1 67 67 LYS C C 67 173.317 173.317 174.975 -1.658 18507 2045 1 4 . 1 1 67 67 LYS CA C 67 56.876 56.876 55.021 1.855 18507 2046 1 4 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.850 0.350 18507 2047 1 4 . 1 1 67 67 LYS H H 67 8.927 8.927 8.448 0.479 18507 2048 1 4 . 1 1 68 68 PHE N N 68 118.691 118.691 122.480 -3.789 18507 2049 1 4 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.262 0.269 18507 2050 1 4 . 1 1 68 68 PHE C C 68 173.861 173.861 175.473 -1.612 18507 2051 1 4 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.453 0.495 18507 2052 1 4 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.014 0.258 18507 2053 1 4 . 1 1 68 68 PHE H H 68 8.436 8.436 8.278 0.158 18507 2054 1 4 . 1 1 69 69 PHE N N 69 125.718 125.718 123.780 1.938 18507 2055 1 4 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.991 -0.268 18507 2056 1 4 . 1 1 69 69 PHE C C 69 174.574 174.574 173.353 1.221 18507 2057 1 4 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.606 -0.770 18507 2058 1 4 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.565 -0.409 18507 2059 1 4 . 1 1 69 69 PHE H H 69 9.000 9.000 8.650 0.350 18507 2060 1 4 . 1 1 70 70 VAL N N 70 126.808 126.808 125.670 1.138 18507 2061 1 4 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.519 -0.196 18507 2062 1 4 . 1 1 70 70 VAL C C 70 175.641 175.641 175.198 0.443 18507 2063 1 4 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.712 0.797 18507 2064 1 4 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.716 -1.246 18507 2065 1 4 . 1 1 70 70 VAL H H 70 8.688 8.688 8.032 0.656 18507 2066 1 4 . 1 1 71 71 ASP N N 71 128.747 128.747 125.307 3.440 18507 2067 1 4 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.173 0.062 18507 2068 1 4 . 1 1 71 71 ASP C C 71 176.119 176.119 176.151 -0.032 18507 2069 1 4 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.714 0.935 18507 2070 1 4 . 1 1 71 71 ASP CB C 71 39.629 39.629 39.993 -0.364 18507 2071 1 4 . 1 1 71 71 ASP H H 71 8.890 8.890 9.148 -0.258 18507 2072 1 4 . 1 1 72 72 GLY N N 72 100.856 100.856 103.996 -3.140 18507 2073 1 4 . 1 1 72 72 GLY C C 72 173.149 173.149 173.177 -0.028 18507 2074 1 4 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.185 0.070 18507 2075 1 4 . 1 1 72 72 GLY H H 72 7.437 7.437 8.349 -0.912 18507 2076 1 4 . 1 1 73 73 GLN N N 73 117.716 117.716 114.110 3.606 18507 2077 1 4 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.353 0.127 18507 2078 1 4 . 1 1 73 73 GLN C C 73 173.981 173.981 173.099 0.882 18507 2079 1 4 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.033 0.252 18507 2080 1 4 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.668 1.242 18507 2081 1 4 . 1 1 73 73 GLN H H 73 6.923 6.923 6.564 0.359 18507 2082 1 4 . 1 1 74 74 TRP N N 74 123.738 123.738 122.151 1.587 18507 2083 1 4 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.226 0.587 18507 2084 1 4 . 1 1 74 74 TRP C C 74 177.239 177.239 177.084 0.155 18507 2085 1 4 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.394 -0.606 18507 2086 1 4 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.913 0.004 18507 2087 1 4 . 1 1 74 74 TRP H H 74 8.836 8.836 8.732 0.104 18507 2088 1 4 . 1 1 75 75 VAL N N 75 121.900 121.900 119.298 2.602 18507 2089 1 4 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.570 0.416 18507 2090 1 4 . 1 1 75 75 VAL C C 75 172.903 172.903 173.962 -1.059 18507 2091 1 4 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.596 1.029 18507 2092 1 4 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.470 1.184 18507 2093 1 4 . 1 1 75 75 VAL H H 75 10.049 10.049 8.728 1.321 18507 2094 1 4 . 1 1 76 76 HIS N N 76 119.400 119.400 115.698 3.702 18507 2095 1 4 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.205 0.373 18507 2096 1 4 . 1 1 76 76 HIS C C 76 173.084 173.084 173.477 -0.393 18507 2097 1 4 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.299 -0.039 18507 2098 1 4 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.670 0.137 18507 2099 1 4 . 1 1 76 76 HIS H H 76 7.758 7.758 8.067 -0.309 18507 2100 1 4 . 1 1 77 77 ASP N N 77 121.057 121.057 121.330 -0.273 18507 2101 1 4 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.121 -0.017 18507 2102 1 4 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.755 -0.291 18507 2103 1 4 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.598 -0.329 18507 2104 1 4 . 1 1 77 77 ASP H H 77 10.717 10.717 9.129 1.588 18507 2105 1 4 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.565 -0.030 18507 2106 1 4 . 1 1 78 78 PRO C C 78 177.387 177.387 177.582 -0.195 18507 2107 1 4 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.211 -0.614 18507 2108 1 4 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.511 -0.185 18507 2109 1 4 . 1 1 79 79 SER N N 79 116.058 116.058 114.384 1.674 18507 2110 1 4 . 1 1 79 79 SER HA H 79 4.477 4.477 4.434 0.043 18507 2111 1 4 . 1 1 79 79 SER C C 79 173.819 173.819 174.940 -1.121 18507 2112 1 4 . 1 1 79 79 SER CA C 79 59.369 59.369 59.479 -0.110 18507 2113 1 4 . 1 1 79 79 SER CB C 79 63.875 63.875 63.644 0.231 18507 2114 1 4 . 1 1 79 79 SER H H 79 8.853 8.853 8.316 0.537 18507 2115 1 4 . 1 1 80 80 GLU N N 80 122.620 122.620 120.753 1.867 18507 2116 1 4 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.680 0.279 18507 2117 1 4 . 1 1 80 80 GLU CA C 80 53.401 53.401 54.121 -0.720 18507 2118 1 4 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.096 0.524 18507 2119 1 4 . 1 1 80 80 GLU H H 80 7.332 7.332 7.856 -0.524 18507 2120 1 4 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.457 -0.018 18507 2121 1 4 . 1 1 81 81 PRO C C 81 177.020 177.020 175.727 1.293 18507 2122 1 4 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.133 0.563 18507 2123 1 4 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.062 -1.843 18507 2124 1 4 . 1 1 82 82 VAL N N 82 114.720 114.720 116.955 -2.235 18507 2125 1 4 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.885 0.582 18507 2126 1 4 . 1 1 82 82 VAL C C 82 175.787 175.787 175.170 0.617 18507 2127 1 4 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.973 -1.374 18507 2128 1 4 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.419 3.339 18507 2129 1 4 . 1 1 82 82 VAL H H 82 8.221 8.221 7.903 0.318 18507 2130 1 4 . 1 1 83 83 VAL N N 83 117.999 117.999 122.733 -4.734 18507 2131 1 4 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.459 -0.049 18507 2132 1 4 . 1 1 83 83 VAL C C 83 173.384 173.384 174.122 -0.738 18507 2133 1 4 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.693 -1.160 18507 2134 1 4 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.476 -1.171 18507 2135 1 4 . 1 1 83 83 VAL H H 83 8.898 8.898 8.702 0.196 18507 2136 1 4 . 1 1 84 84 THR N N 84 120.469 120.469 123.275 -2.806 18507 2137 1 4 . 1 1 84 84 THR HA H 84 4.751 4.751 4.410 0.341 18507 2138 1 4 . 1 1 84 84 THR C C 84 174.975 174.975 174.212 0.763 18507 2139 1 4 . 1 1 84 84 THR CA C 84 61.446 61.446 63.020 -1.574 18507 2140 1 4 . 1 1 84 84 THR CB C 84 68.959 68.959 68.538 0.421 18507 2141 1 4 . 1 1 84 84 THR H H 84 8.309 8.309 8.383 -0.074 18507 2142 1 4 . 1 1 85 85 SER N N 85 123.544 123.544 121.082 2.462 18507 2143 1 4 . 1 1 85 85 SER HA H 85 4.533 4.533 4.357 0.176 18507 2144 1 4 . 1 1 85 85 SER CA C 85 57.027 57.027 58.819 -1.792 18507 2145 1 4 . 1 1 85 85 SER CB C 85 65.264 65.264 64.237 1.026 18507 2146 1 4 . 1 1 85 85 SER H H 85 9.137 9.137 8.409 0.728 18507 2147 1 4 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.096 -0.004 18507 2148 1 4 . 1 1 86 86 GLN C C 86 176.451 176.451 175.885 0.566 18507 2149 1 4 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.355 -0.285 18507 2150 1 4 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.154 -0.019 18507 2151 1 4 . 1 1 87 87 LEU N N 87 117.032 117.032 119.632 -2.600 18507 2152 1 4 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.443 -0.184 18507 2153 1 4 . 1 1 87 87 LEU C C 87 177.470 177.470 177.455 0.015 18507 2154 1 4 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.199 0.451 18507 2155 1 4 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.002 1.673 18507 2156 1 4 . 1 1 87 87 LEU H H 87 7.692 7.692 7.450 0.242 18507 2157 1 4 . 1 1 88 88 GLY N N 88 107.770 107.770 107.512 0.258 18507 2158 1 4 . 1 1 88 88 GLY C C 88 174.029 174.029 173.923 0.106 18507 2159 1 4 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.836 -0.574 18507 2160 1 4 . 1 1 88 88 GLY H H 88 7.932 7.932 7.838 0.094 18507 2161 1 4 . 1 1 89 89 THR N N 89 112.596 112.596 111.792 0.804 18507 2162 1 4 . 1 1 89 89 THR HA H 89 4.259 4.259 4.526 -0.267 18507 2163 1 4 . 1 1 89 89 THR C C 89 172.837 172.837 174.218 -1.381 18507 2164 1 4 . 1 1 89 89 THR CA C 89 60.743 60.743 60.041 0.702 18507 2165 1 4 . 1 1 89 89 THR CB C 89 69.845 69.845 70.249 -0.404 18507 2166 1 4 . 1 1 89 89 THR H H 89 7.148 7.148 7.456 -0.308 18507 2167 1 4 . 1 1 90 90 ILE N N 90 123.927 123.927 126.127 -2.200 18507 2168 1 4 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.152 0.258 18507 2169 1 4 . 1 1 90 90 ILE C C 90 175.007 175.007 175.294 -0.287 18507 2170 1 4 . 1 1 90 90 ILE CA C 90 60.551 60.551 61.255 -0.704 18507 2171 1 4 . 1 1 90 90 ILE CB C 90 38.935 38.935 37.265 1.670 18507 2172 1 4 . 1 1 90 90 ILE H H 90 8.514 8.514 8.746 -0.232 18507 2173 1 4 . 1 1 91 91 ASN N N 91 123.450 123.450 121.183 2.267 18507 2174 1 4 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.902 0.385 18507 2175 1 4 . 1 1 91 91 ASN C C 91 175.916 175.916 173.560 2.356 18507 2176 1 4 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.835 -0.859 18507 2177 1 4 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.311 0.865 18507 2178 1 4 . 1 1 91 91 ASN H H 91 8.497 8.497 8.737 -0.240 18507 2179 1 4 . 1 1 92 92 ASN N N 92 115.675 115.675 117.217 -1.542 18507 2180 1 4 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.698 0.913 18507 2181 1 4 . 1 1 92 92 ASN C C 92 173.765 173.765 173.699 0.066 18507 2182 1 4 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.867 0.945 18507 2183 1 4 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.066 2.678 18507 2184 1 4 . 1 1 92 92 ASN H H 92 8.721 8.721 8.460 0.261 18507 2185 1 4 . 1 1 93 93 LEU N N 93 120.001 120.001 120.063 -0.062 18507 2186 1 4 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.793 0.544 18507 2187 1 4 . 1 1 93 93 LEU C C 93 175.864 175.864 175.149 0.715 18507 2188 1 4 . 1 1 93 93 LEU CA C 93 53.522 53.522 53.962 -0.440 18507 2189 1 4 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.515 1.608 18507 2190 1 4 . 1 1 93 93 LEU H H 93 7.661 7.661 7.722 -0.061 18507 2191 1 4 . 1 1 94 94 ILE N N 94 124.682 124.682 125.626 -0.944 18507 2192 1 4 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.512 0.335 18507 2193 1 4 . 1 1 94 94 ILE C C 94 172.078 172.078 173.280 -1.202 18507 2194 1 4 . 1 1 94 94 ILE CA C 94 59.351 59.351 59.948 -0.597 18507 2195 1 4 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.512 -0.421 18507 2196 1 4 . 1 1 94 94 ILE H H 94 9.282 9.282 9.221 0.061 18507 2197 1 4 . 1 1 95 95 HIS N N 95 126.782 126.782 126.493 0.289 18507 2198 1 4 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.151 -0.041 18507 2199 1 4 . 1 1 95 95 HIS C C 95 174.655 174.655 174.365 0.290 18507 2200 1 4 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.625 -0.291 18507 2201 1 4 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.885 0.514 18507 2202 1 4 . 1 1 95 95 HIS H H 95 8.690 8.690 8.542 0.148 18507 2203 1 4 . 1 1 96 96 VAL N N 96 128.616 128.616 124.969 3.647 18507 2204 1 4 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.302 -0.187 18507 2205 1 4 . 1 1 96 96 VAL C C 96 175.515 175.515 175.593 -0.078 18507 2206 1 4 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.325 1.177 18507 2207 1 4 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.054 -0.722 18507 2208 1 4 . 1 1 96 96 VAL H H 96 9.082 9.082 8.714 0.368 18507 2209 1 4 . 1 1 97 97 LYS N N 97 128.692 128.692 125.885 2.807 18507 2210 1 4 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.627 -0.077 18507 2211 1 4 . 1 1 97 97 LYS C C 97 176.019 176.019 175.696 0.323 18507 2212 1 4 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.102 0.989 18507 2213 1 4 . 1 1 97 97 LYS CB C 97 34.588 34.588 34.809 -0.221 18507 2214 1 4 . 1 1 97 97 LYS H H 97 8.708 8.708 8.336 0.372 18507 2215 1 4 . 1 1 98 98 LYS N N 98 122.635 122.635 120.991 1.644 18507 2216 1 4 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.470 -0.348 18507 2217 1 4 . 1 1 98 98 LYS C C 98 176.947 176.947 176.531 0.416 18507 2218 1 4 . 1 1 98 98 LYS CA C 98 57.232 57.232 56.190 1.042 18507 2219 1 4 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.557 -0.708 18507 2220 1 4 . 1 1 98 98 LYS H H 98 8.717 8.717 8.328 0.389 18507 2221 1 4 . 1 1 99 99 SER N N 99 116.737 116.737 115.517 1.220 18507 2222 1 4 . 1 1 99 99 SER HA H 99 4.357 4.357 4.778 -0.421 18507 2223 1 4 . 1 1 99 99 SER C C 99 174.335 174.335 174.501 -0.166 18507 2224 1 4 . 1 1 99 99 SER CA C 99 58.240 58.240 58.784 -0.544 18507 2225 1 4 . 1 1 99 99 SER CB C 99 63.664 63.664 63.587 0.077 18507 2226 1 4 . 1 1 99 99 SER H H 99 8.393 8.393 8.750 -0.357 18507 2227 1 4 . 1 1 100 100 ASP N N 100 122.287 122.287 120.054 2.233 18507 2228 1 4 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.688 -0.162 18507 2229 1 4 . 1 1 100 100 ASP C C 100 175.823 175.823 176.670 -0.847 18507 2230 1 4 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.559 0.254 18507 2231 1 4 . 1 1 100 100 ASP CB C 100 40.938 40.938 40.711 0.227 18507 2232 1 4 . 1 1 100 100 ASP H H 100 8.288 8.288 8.348 -0.060 18507 2233 1 4 . 1 1 101 101 PHE N N 101 118.668 118.668 120.342 -1.674 18507 2234 1 4 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.282 0.293 18507 2235 1 4 . 1 1 101 101 PHE C C 101 175.279 175.279 176.873 -1.594 18507 2236 1 4 . 1 1 101 101 PHE CA C 101 57.462 57.462 60.382 -2.920 18507 2237 1 4 . 1 1 101 101 PHE CB C 101 39.557 39.557 39.623 -0.066 18507 2238 1 4 . 1 1 101 101 PHE H H 101 7.923 7.923 7.848 0.075 18507 2239 1 4 . 1 1 102 102 GLU N N 102 122.081 122.081 117.734 4.347 18507 2240 1 4 . 1 1 102 102 GLU HA H 102 4.180 4.180 4.287 -0.107 18507 2241 1 4 . 1 1 102 102 GLU C C 102 175.388 175.388 176.450 -1.062 18507 2242 1 4 . 1 1 102 102 GLU CA C 102 56.308 56.308 58.112 -1.804 18507 2243 1 4 . 1 1 102 102 GLU CB C 102 30.585 30.585 30.038 0.547 18507 2244 1 4 . 1 1 102 102 GLU H H 102 8.138 8.138 8.831 -0.693 18507 2245 1 4 . 1 1 103 103 VAL N N 103 120.545 120.545 119.656 0.889 18507 2246 1 4 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.894 0.130 18507 2247 1 4 . 1 1 103 103 VAL C C 103 175.359 175.359 175.474 -0.115 18507 2248 1 4 . 1 1 103 103 VAL CA C 103 61.673 61.673 62.383 -0.710 18507 2249 1 4 . 1 1 103 103 VAL CB C 103 33.098 33.098 31.879 1.219 18507 2250 1 4 . 1 1 103 103 VAL H H 103 7.934 7.934 7.651 0.283 18507 2251 1 4 . 1 1 104 104 PHE N N 104 124.359 124.359 123.743 0.616 18507 2252 1 4 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.577 0.118 18507 2253 1 4 . 1 1 104 104 PHE C C 104 174.530 174.530 175.238 -0.708 18507 2254 1 4 . 1 1 104 104 PHE CA C 104 57.140 57.140 57.978 -0.838 18507 2255 1 4 . 1 1 104 104 PHE CB C 104 39.964 39.964 40.237 -0.273 18507 2256 1 4 . 1 1 104 104 PHE H H 104 8.340 8.340 8.321 0.019 18507 2257 1 5 . 1 1 2 2 ALA N N 2 129.609 129.609 123.009 6.600 18507 2258 1 5 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.267 0.069 18507 2259 1 5 . 1 1 2 2 ALA C C 2 177.730 177.730 178.392 -0.662 18507 2260 1 5 . 1 1 2 2 ALA CA C 2 52.590 52.590 53.321 -0.731 18507 2261 1 5 . 1 1 2 2 ALA CB C 2 19.509 19.509 19.115 0.394 18507 2262 1 5 . 1 1 2 2 ALA H H 2 8.252 8.252 8.116 0.136 18507 2263 1 5 . 1 1 3 3 MET N N 3 119.597 119.597 119.755 -0.158 18507 2264 1 5 . 1 1 3 3 MET HA H 3 4.457 4.457 4.442 0.015 18507 2265 1 5 . 1 1 3 3 MET C C 3 176.640 176.640 176.134 0.506 18507 2266 1 5 . 1 1 3 3 MET CA C 3 55.433 55.433 55.235 0.198 18507 2267 1 5 . 1 1 3 3 MET CB C 3 32.141 32.141 33.364 -1.223 18507 2268 1 5 . 1 1 3 3 MET H H 3 8.526 8.526 7.596 0.930 18507 2269 1 5 . 1 1 4 4 GLY N N 4 110.104 110.104 112.982 -2.878 18507 2270 1 5 . 1 1 4 4 GLY C C 4 173.846 173.846 172.918 0.928 18507 2271 1 5 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.713 0.576 18507 2272 1 5 . 1 1 4 4 GLY H H 4 8.388 8.388 8.486 -0.098 18507 2273 1 5 . 1 1 5 5 ILE N N 5 120.177 120.177 118.493 1.684 18507 2274 1 5 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.251 -0.109 18507 2275 1 5 . 1 1 5 5 ILE C C 5 176.245 176.245 175.226 1.019 18507 2276 1 5 . 1 1 5 5 ILE CA C 5 60.706 60.706 61.143 -0.437 18507 2277 1 5 . 1 1 5 5 ILE CB C 5 38.686 38.686 39.504 -0.818 18507 2278 1 5 . 1 1 5 5 ILE H H 5 7.995 7.995 7.976 0.019 18507 2279 1 5 . 1 1 6 6 ARG N N 6 125.295 125.295 124.442 0.853 18507 2280 1 5 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.071 0.276 18507 2281 1 5 . 1 1 6 6 ARG C C 6 174.908 174.908 174.824 0.084 18507 2282 1 5 . 1 1 6 6 ARG CA C 6 55.812 55.812 56.173 -0.361 18507 2283 1 5 . 1 1 6 6 ARG CB C 6 30.829 30.829 29.094 1.735 18507 2284 1 5 . 1 1 6 6 ARG H H 6 8.451 8.451 8.548 -0.097 18507 2285 1 5 . 1 1 7 7 ASN N N 7 125.979 125.979 118.269 7.710 18507 2286 1 5 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.608 -0.125 18507 2287 1 5 . 1 1 7 7 ASN C C 7 175.993 175.993 175.766 0.227 18507 2288 1 5 . 1 1 7 7 ASN CA C 7 54.699 54.699 53.322 1.377 18507 2289 1 5 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.148 1.596 18507 2290 1 5 . 1 1 7 7 ASN H H 7 8.072 8.072 8.239 -0.167 18507 2291 1 5 . 1 1 8 8 SER N N 8 120.939 120.939 116.243 4.696 18507 2292 1 5 . 1 1 8 8 SER C C 8 174.402 174.402 174.167 0.235 18507 2293 1 5 . 1 1 8 8 SER CA C 8 58.678 58.678 57.946 0.733 18507 2294 1 5 . 1 1 8 8 SER CB C 8 63.735 63.735 63.891 -0.156 18507 2295 1 5 . 1 1 8 8 SER H H 8 8.363 8.363 8.255 0.108 18507 2296 1 5 . 1 1 9 9 ASP N N 9 122.169 122.169 119.366 2.803 18507 2297 1 5 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.558 0.054 18507 2298 1 5 . 1 1 9 9 ASP C C 9 176.302 176.302 175.493 0.809 18507 2299 1 5 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.392 0.275 18507 2300 1 5 . 1 1 9 9 ASP CB C 9 41.092 41.092 40.615 0.477 18507 2301 1 5 . 1 1 9 9 ASP H H 9 8.334 8.334 8.247 0.087 18507 2302 1 5 . 1 1 10 10 SER N N 10 115.330 115.330 114.576 0.754 18507 2303 1 5 . 1 1 10 10 SER HA H 10 4.408 4.408 4.192 0.216 18507 2304 1 5 . 1 1 10 10 SER C C 10 174.338 174.338 173.780 0.558 18507 2305 1 5 . 1 1 10 10 SER CA C 10 58.421 58.421 58.405 0.016 18507 2306 1 5 . 1 1 10 10 SER CB C 10 63.749 63.749 61.830 1.919 18507 2307 1 5 . 1 1 10 10 SER H H 10 8.130 8.130 8.040 0.090 18507 2308 1 5 . 1 1 11 11 VAL N N 11 121.719 121.719 116.848 4.871 18507 2309 1 5 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.419 -0.331 18507 2310 1 5 . 1 1 11 11 VAL C C 11 175.837 175.837 175.270 0.567 18507 2311 1 5 . 1 1 11 11 VAL CA C 11 61.972 61.972 60.812 1.160 18507 2312 1 5 . 1 1 11 11 VAL CB C 11 32.508 32.508 32.418 0.090 18507 2313 1 5 . 1 1 11 11 VAL H H 11 8.040 8.040 7.978 0.062 18507 2314 1 5 . 1 1 12 12 LYS N N 12 126.544 126.544 129.068 -2.524 18507 2315 1 5 . 1 1 12 12 LYS H H 12 8.349 8.349 8.525 -0.176 18507 2316 1 5 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.630 -0.171 18507 2317 1 5 . 1 1 13 13 PRO C C 13 177.038 177.038 176.254 0.784 18507 2318 1 5 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.260 -0.392 18507 2319 1 5 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.961 0.221 18507 2320 1 5 . 1 1 14 14 THR N N 14 114.515 114.515 115.157 -0.642 18507 2321 1 5 . 1 1 14 14 THR HA H 14 4.255 4.255 4.208 0.047 18507 2322 1 5 . 1 1 14 14 THR C C 14 174.477 174.477 174.301 0.176 18507 2323 1 5 . 1 1 14 14 THR CA C 14 61.813 61.813 62.689 -0.876 18507 2324 1 5 . 1 1 14 14 THR CB C 14 69.675 69.675 69.152 0.523 18507 2325 1 5 . 1 1 14 14 THR H H 14 8.234 8.234 7.550 0.684 18507 2326 1 5 . 1 1 15 15 GLN N N 15 122.586 122.586 119.088 3.498 18507 2327 1 5 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.005 0.341 18507 2328 1 5 . 1 1 15 15 GLN C C 15 175.452 175.452 174.765 0.687 18507 2329 1 5 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.655 -1.093 18507 2330 1 5 . 1 1 15 15 GLN CB C 15 29.535 29.535 27.621 1.914 18507 2331 1 5 . 1 1 15 15 GLN H H 15 8.380 8.380 8.656 -0.276 18507 2332 1 5 . 1 1 16 16 GLN N N 16 122.137 122.137 118.095 4.042 18507 2333 1 5 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.424 -0.164 18507 2334 1 5 . 1 1 16 16 GLN C C 16 175.050 175.050 174.626 0.424 18507 2335 1 5 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.373 0.168 18507 2336 1 5 . 1 1 16 16 GLN CB C 16 29.726 29.726 30.902 -1.176 18507 2337 1 5 . 1 1 16 16 GLN H H 16 8.457 8.457 8.465 -0.008 18507 2338 1 5 . 1 1 17 17 ALA N N 17 125.292 125.292 122.100 3.192 18507 2339 1 5 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.782 -0.471 18507 2340 1 5 . 1 1 17 17 ALA C C 17 176.628 176.628 176.291 0.337 18507 2341 1 5 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.638 0.074 18507 2342 1 5 . 1 1 17 17 ALA CB C 17 19.967 19.967 21.154 -1.187 18507 2343 1 5 . 1 1 17 17 ALA H H 17 8.323 8.323 8.413 -0.090 18507 2344 1 5 . 1 1 18 18 ARG N N 18 122.106 122.106 120.381 1.725 18507 2345 1 5 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.685 -0.064 18507 2346 1 5 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.970 -0.744 18507 2347 1 5 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.690 0.085 18507 2348 1 5 . 1 1 18 18 ARG H H 18 8.591 8.591 8.505 0.086 18507 2349 1 5 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.438 0.146 18507 2350 1 5 . 1 1 19 19 PRO C C 19 176.098 176.098 176.236 -0.138 18507 2351 1 5 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.492 0.469 18507 2352 1 5 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.284 -0.139 18507 2353 1 5 . 1 1 20 20 THR N N 20 121.694 121.694 113.638 8.056 18507 2354 1 5 . 1 1 20 20 THR HA H 20 4.228 4.228 4.353 -0.125 18507 2355 1 5 . 1 1 20 20 THR C C 20 172.413 172.413 174.371 -1.958 18507 2356 1 5 . 1 1 20 20 THR CA C 20 62.891 62.891 60.303 2.588 18507 2357 1 5 . 1 1 20 20 THR CB C 20 71.036 71.036 70.338 0.698 18507 2358 1 5 . 1 1 20 20 THR H H 20 9.046 9.046 8.214 0.832 18507 2359 1 5 . 1 1 21 21 VAL N N 21 127.141 127.141 126.016 1.125 18507 2360 1 5 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.173 0.374 18507 2361 1 5 . 1 1 21 21 VAL C C 21 175.345 175.345 174.671 0.674 18507 2362 1 5 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.143 -0.363 18507 2363 1 5 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.909 0.350 18507 2364 1 5 . 1 1 21 21 VAL H H 21 8.572 8.572 8.259 0.313 18507 2365 1 5 . 1 1 22 22 ILE N N 22 130.341 130.341 127.332 3.009 18507 2366 1 5 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.502 -0.209 18507 2367 1 5 . 1 1 22 22 ILE C C 22 173.794 173.794 174.322 -0.528 18507 2368 1 5 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.465 -1.014 18507 2369 1 5 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.428 -2.764 18507 2370 1 5 . 1 1 22 22 ILE H H 22 8.913 8.913 8.231 0.682 18507 2371 1 5 . 1 1 23 23 ARG N N 23 125.596 125.596 125.327 0.269 18507 2372 1 5 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.082 0.427 18507 2373 1 5 . 1 1 23 23 ARG C C 23 174.125 174.125 174.511 -0.386 18507 2374 1 5 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.020 -1.015 18507 2375 1 5 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.869 2.715 18507 2376 1 5 . 1 1 23 23 ARG H H 23 8.595 8.595 8.654 -0.059 18507 2377 1 5 . 1 1 24 24 TRP N N 24 123.124 123.124 127.171 -4.047 18507 2378 1 5 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.864 -0.077 18507 2379 1 5 . 1 1 24 24 TRP C C 24 177.208 177.208 173.382 3.826 18507 2380 1 5 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.495 -0.521 18507 2381 1 5 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.364 0.043 18507 2382 1 5 . 1 1 24 24 TRP H H 24 9.098 9.098 9.127 -0.029 18507 2383 1 5 . 1 1 25 25 SER N N 25 123.623 123.623 121.724 1.899 18507 2384 1 5 . 1 1 25 25 SER HA H 25 4.827 4.827 4.607 0.220 18507 2385 1 5 . 1 1 25 25 SER CA C 25 58.442 58.442 57.446 0.996 18507 2386 1 5 . 1 1 25 25 SER CB C 25 63.993 63.993 63.873 0.120 18507 2387 1 5 . 1 1 25 25 SER H H 25 8.837 8.837 7.998 0.839 18507 2388 1 5 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.497 -0.356 18507 2389 1 5 . 1 1 26 26 GLU C C 26 175.915 175.915 176.079 -0.164 18507 2390 1 5 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.725 -1.462 18507 2391 1 5 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.472 -1.188 18507 2392 1 5 . 1 1 27 27 GLY N N 27 109.186 109.186 107.728 1.458 18507 2393 1 5 . 1 1 27 27 GLY C C 27 173.380 173.380 174.800 -1.420 18507 2394 1 5 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.235 -0.603 18507 2395 1 5 . 1 1 27 27 GLY H H 27 8.434 8.434 8.698 -0.264 18507 2396 1 5 . 1 1 28 28 GLY N N 28 106.478 106.478 108.380 -1.902 18507 2397 1 5 . 1 1 28 28 GLY C C 28 172.572 172.572 174.332 -1.760 18507 2398 1 5 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.266 -0.569 18507 2399 1 5 . 1 1 28 28 GLY H H 28 7.948 7.948 7.901 0.047 18507 2400 1 5 . 1 1 29 29 LYS N N 29 120.742 120.742 118.189 2.553 18507 2401 1 5 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.516 0.099 18507 2402 1 5 . 1 1 29 29 LYS C C 29 177.173 177.173 175.841 1.332 18507 2403 1 5 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.937 1.014 18507 2404 1 5 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.285 0.550 18507 2405 1 5 . 1 1 29 29 LYS H H 29 10.077 10.077 8.488 1.589 18507 2406 1 5 . 1 1 30 30 GLU N N 30 121.578 121.578 117.563 4.015 18507 2407 1 5 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.408 -0.211 18507 2408 1 5 . 1 1 30 30 GLU C C 30 173.541 173.541 173.240 0.301 18507 2409 1 5 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.502 0.478 18507 2410 1 5 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.985 0.488 18507 2411 1 5 . 1 1 30 30 GLU H H 30 8.810 8.810 7.706 1.104 18507 2412 1 5 . 1 1 31 31 VAL N N 31 124.182 124.182 121.854 2.328 18507 2413 1 5 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.658 -0.118 18507 2414 1 5 . 1 1 31 31 VAL C C 31 173.552 173.552 173.904 -0.352 18507 2415 1 5 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.600 0.635 18507 2416 1 5 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.202 2.059 18507 2417 1 5 . 1 1 31 31 VAL H H 31 7.704 7.704 8.254 -0.550 18507 2418 1 5 . 1 1 32 32 PHE N N 32 123.930 123.930 124.760 -0.830 18507 2419 1 5 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.474 0.093 18507 2420 1 5 . 1 1 32 32 PHE C C 32 174.872 174.872 174.423 0.449 18507 2421 1 5 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.203 -1.218 18507 2422 1 5 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.908 0.441 18507 2423 1 5 . 1 1 32 32 PHE H H 32 8.856 8.856 8.218 0.638 18507 2424 1 5 . 1 1 33 33 ILE N N 33 116.493 116.493 120.757 -4.264 18507 2425 1 5 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.517 -0.037 18507 2426 1 5 . 1 1 33 33 ILE C C 33 174.067 174.067 174.158 -0.091 18507 2427 1 5 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.156 0.353 18507 2428 1 5 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.809 1.485 18507 2429 1 5 . 1 1 33 33 ILE H H 33 9.316 9.316 9.174 0.142 18507 2430 1 5 . 1 1 34 34 SER N N 34 116.962 116.962 121.539 -4.577 18507 2431 1 5 . 1 1 34 34 SER HA H 34 4.496 4.496 4.785 -0.289 18507 2432 1 5 . 1 1 34 34 SER C C 34 170.691 170.691 171.905 -1.214 18507 2433 1 5 . 1 1 34 34 SER CA C 34 57.343 57.343 57.078 0.265 18507 2434 1 5 . 1 1 34 34 SER CB C 34 67.249 67.249 65.234 2.015 18507 2435 1 5 . 1 1 34 34 SER H H 34 8.518 8.518 8.600 -0.082 18507 2436 1 5 . 1 1 35 35 GLY N N 35 106.806 106.806 109.148 -2.342 18507 2437 1 5 . 1 1 35 35 GLY C C 35 172.451 172.451 172.320 0.131 18507 2438 1 5 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.502 1.559 18507 2439 1 5 . 1 1 35 35 GLY H H 35 7.200 7.200 6.956 0.244 18507 2440 1 5 . 1 1 36 36 SER N N 36 115.550 115.550 115.954 -0.404 18507 2441 1 5 . 1 1 36 36 SER HA H 36 3.388 3.388 4.325 -0.937 18507 2442 1 5 . 1 1 36 36 SER C C 36 177.094 177.094 176.997 0.097 18507 2443 1 5 . 1 1 36 36 SER CA C 36 60.882 60.882 60.910 -0.028 18507 2444 1 5 . 1 1 36 36 SER CB C 36 61.978 61.978 63.526 -1.548 18507 2445 1 5 . 1 1 36 36 SER H H 36 8.952 8.952 7.862 1.090 18507 2446 1 5 . 1 1 37 37 PHE N N 37 118.633 118.633 118.958 -0.325 18507 2447 1 5 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.294 0.167 18507 2448 1 5 . 1 1 37 37 PHE C C 37 175.254 175.254 175.655 -0.401 18507 2449 1 5 . 1 1 37 37 PHE CA C 37 56.756 56.756 57.901 -1.145 18507 2450 1 5 . 1 1 37 37 PHE CB C 37 37.763 37.763 38.176 -0.413 18507 2451 1 5 . 1 1 37 37 PHE H H 37 6.475 6.475 7.786 -1.311 18507 2452 1 5 . 1 1 38 38 ASN N N 38 119.885 119.885 116.266 3.619 18507 2453 1 5 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.685 0.255 18507 2454 1 5 . 1 1 38 38 ASN C C 38 175.954 175.954 174.931 1.023 18507 2455 1 5 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.870 -0.589 18507 2456 1 5 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.762 -2.561 18507 2457 1 5 . 1 1 38 38 ASN H H 38 6.610 6.610 7.033 -0.423 18507 2458 1 5 . 1 1 39 39 ASN N N 39 117.264 117.264 118.449 -1.185 18507 2459 1 5 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.491 -0.181 18507 2460 1 5 . 1 1 39 39 ASN C C 39 173.171 173.171 174.883 -1.712 18507 2461 1 5 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.400 0.388 18507 2462 1 5 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.239 -0.245 18507 2463 1 5 . 1 1 39 39 ASN H H 39 7.822 7.822 7.687 0.135 18507 2464 1 5 . 1 1 40 40 TRP N N 40 113.463 113.463 114.461 -0.998 18507 2465 1 5 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.192 -0.191 18507 2466 1 5 . 1 1 40 40 TRP C C 40 177.457 177.457 175.580 1.877 18507 2467 1 5 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.903 -0.318 18507 2468 1 5 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.208 -1.421 18507 2469 1 5 . 1 1 40 40 TRP H H 40 8.300 8.300 7.640 0.660 18507 2470 1 5 . 1 1 41 41 SER N N 41 113.321 113.321 113.862 -0.541 18507 2471 1 5 . 1 1 41 41 SER HA H 41 4.216 4.216 4.591 -0.375 18507 2472 1 5 . 1 1 41 41 SER C C 41 174.913 174.913 174.246 0.667 18507 2473 1 5 . 1 1 41 41 SER CA C 41 60.460 60.460 58.806 1.654 18507 2474 1 5 . 1 1 41 41 SER CB C 41 64.591 64.591 64.407 0.184 18507 2475 1 5 . 1 1 41 41 SER H H 41 7.549 7.549 8.462 -0.913 18507 2476 1 5 . 1 1 42 42 THR N N 42 112.097 112.097 114.926 -2.829 18507 2477 1 5 . 1 1 42 42 THR HA H 42 4.576 4.576 4.356 0.220 18507 2478 1 5 . 1 1 42 42 THR C C 42 174.798 174.798 172.052 2.746 18507 2479 1 5 . 1 1 42 42 THR CA C 42 59.920 59.920 62.048 -2.128 18507 2480 1 5 . 1 1 42 42 THR CB C 42 71.457 71.457 70.260 1.197 18507 2481 1 5 . 1 1 42 42 THR H H 42 7.088 7.088 7.764 -0.676 18507 2482 1 5 . 1 1 43 43 LYS N N 43 122.104 122.104 126.788 -4.684 18507 2483 1 5 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.523 0.149 18507 2484 1 5 . 1 1 43 43 LYS C C 43 174.839 174.839 176.043 -1.204 18507 2485 1 5 . 1 1 43 43 LYS CA C 43 55.293 55.293 55.300 -0.007 18507 2486 1 5 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.255 0.083 18507 2487 1 5 . 1 1 43 43 LYS H H 43 8.466 8.466 8.337 0.129 18507 2488 1 5 . 1 1 44 44 ILE N N 44 128.655 128.655 127.381 1.274 18507 2489 1 5 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.533 0.095 18507 2490 1 5 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.363 0.209 18507 2491 1 5 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.691 1.413 18507 2492 1 5 . 1 1 44 44 ILE H H 44 9.596 9.596 9.025 0.571 18507 2493 1 5 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.381 -0.076 18507 2494 1 5 . 1 1 45 45 PRO C C 45 174.315 174.315 176.061 -1.746 18507 2495 1 5 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.556 0.175 18507 2496 1 5 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.353 -0.107 18507 2497 1 5 . 1 1 46 46 LEU N N 46 122.198 122.198 124.723 -2.525 18507 2498 1 5 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.487 0.026 18507 2499 1 5 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.836 1.717 18507 2500 1 5 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.906 -0.096 18507 2501 1 5 . 1 1 46 46 LEU H H 46 8.157 8.157 7.585 0.572 18507 2502 1 5 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.842 0.508 18507 2503 1 5 . 1 1 47 47 ILE C C 47 175.903 175.903 175.928 -0.025 18507 2504 1 5 . 1 1 47 47 ILE CA C 47 59.414 59.414 60.968 -1.554 18507 2505 1 5 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.458 2.938 18507 2506 1 5 . 1 1 48 48 LYS N N 48 128.033 128.033 129.214 -1.181 18507 2507 1 5 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.851 0.055 18507 2508 1 5 . 1 1 48 48 LYS C C 48 176.252 176.252 175.513 0.739 18507 2509 1 5 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.913 -0.211 18507 2510 1 5 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.480 0.116 18507 2511 1 5 . 1 1 48 48 LYS H H 48 8.661 8.661 8.328 0.333 18507 2512 1 5 . 1 1 49 49 SER N N 49 122.194 122.194 118.890 3.304 18507 2513 1 5 . 1 1 49 49 SER HA H 49 4.367 4.367 4.553 -0.186 18507 2514 1 5 . 1 1 49 49 SER CA C 49 56.282 56.282 55.537 0.745 18507 2515 1 5 . 1 1 49 49 SER CB C 49 62.849 62.849 64.851 -2.002 18507 2516 1 5 . 1 1 49 49 SER H H 49 8.638 8.638 8.069 0.569 18507 2517 1 5 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.321 -0.279 18507 2518 1 5 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.069 -0.085 18507 2519 1 5 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.719 -1.822 18507 2520 1 5 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.627 0.088 18507 2521 1 5 . 1 1 51 51 ASN C C 51 174.091 174.091 173.896 0.195 18507 2522 1 5 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.068 -0.292 18507 2523 1 5 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.613 -0.479 18507 2524 1 5 . 1 1 52 52 ASP N N 52 119.149 119.149 114.780 4.369 18507 2525 1 5 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.506 0.456 18507 2526 1 5 . 1 1 52 52 ASP C C 52 174.069 174.069 174.105 -0.036 18507 2527 1 5 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.058 0.486 18507 2528 1 5 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.117 1.439 18507 2529 1 5 . 1 1 52 52 ASP H H 52 8.031 8.031 7.344 0.687 18507 2530 1 5 . 1 1 53 53 PHE N N 53 118.169 118.169 117.235 0.934 18507 2531 1 5 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.629 0.521 18507 2532 1 5 . 1 1 53 53 PHE C C 53 175.583 175.583 175.884 -0.301 18507 2533 1 5 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.450 -1.078 18507 2534 1 5 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.305 1.586 18507 2535 1 5 . 1 1 53 53 PHE H H 53 8.534 8.534 8.722 -0.188 18507 2536 1 5 . 1 1 54 54 VAL N N 54 118.983 118.983 120.964 -1.981 18507 2537 1 5 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.623 0.702 18507 2538 1 5 . 1 1 54 54 VAL CA C 54 60.134 60.134 61.112 -0.978 18507 2539 1 5 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.633 0.116 18507 2540 1 5 . 1 1 54 54 VAL H H 54 9.324 9.324 7.986 1.338 18507 2541 1 5 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.670 0.037 18507 2542 1 5 . 1 1 55 55 ALA C C 55 174.786 174.786 175.723 -0.937 18507 2543 1 5 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.377 0.510 18507 2544 1 5 . 1 1 55 55 ALA CB C 55 21.688 21.688 21.425 0.263 18507 2545 1 5 . 1 1 56 56 ILE N N 56 120.457 120.457 120.102 0.355 18507 2546 1 5 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.316 0.236 18507 2547 1 5 . 1 1 56 56 ILE C C 56 175.419 175.419 174.376 1.043 18507 2548 1 5 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.601 1.321 18507 2549 1 5 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.471 0.020 18507 2550 1 5 . 1 1 56 56 ILE H H 56 8.239 8.239 8.316 -0.077 18507 2551 1 5 . 1 1 57 57 LEU N N 57 127.392 127.392 123.417 3.975 18507 2552 1 5 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.643 -0.137 18507 2553 1 5 . 1 1 57 57 LEU C C 57 175.108 175.108 175.055 0.053 18507 2554 1 5 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.630 0.112 18507 2555 1 5 . 1 1 57 57 LEU CB C 57 45.170 45.170 45.888 -0.718 18507 2556 1 5 . 1 1 57 57 LEU H H 57 8.828 8.828 7.898 0.930 18507 2557 1 5 . 1 1 58 58 ASP N N 58 124.255 124.255 121.724 2.531 18507 2558 1 5 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.702 -0.074 18507 2559 1 5 . 1 1 58 58 ASP C C 58 175.066 175.066 176.156 -1.090 18507 2560 1 5 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.544 -1.603 18507 2561 1 5 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.302 -0.595 18507 2562 1 5 . 1 1 58 58 ASP H H 58 8.571 8.571 8.322 0.249 18507 2563 1 5 . 1 1 59 59 LEU N N 59 124.092 124.092 126.035 -1.943 18507 2564 1 5 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.697 -0.162 18507 2565 1 5 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.593 -0.719 18507 2566 1 5 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.210 -0.176 18507 2567 1 5 . 1 1 59 59 LEU H H 59 7.681 7.681 8.427 -0.746 18507 2568 1 5 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.495 0.106 18507 2569 1 5 . 1 1 60 60 PRO C C 60 175.599 175.599 175.932 -0.333 18507 2570 1 5 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.160 -0.679 18507 2571 1 5 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.717 -0.049 18507 2572 1 5 . 1 1 61 61 GLU N N 61 119.164 119.164 121.668 -2.504 18507 2573 1 5 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.992 -0.133 18507 2574 1 5 . 1 1 61 61 GLU C C 61 176.121 176.121 175.676 0.445 18507 2575 1 5 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.745 -0.287 18507 2576 1 5 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.061 1.188 18507 2577 1 5 . 1 1 61 61 GLU H H 61 8.500 8.500 8.562 -0.062 18507 2578 1 5 . 1 1 62 62 GLY N N 62 111.529 111.529 115.033 -3.504 18507 2579 1 5 . 1 1 62 62 GLY C C 62 171.313 171.313 171.812 -0.499 18507 2580 1 5 . 1 1 62 62 GLY CA C 62 43.469 43.469 44.971 -1.502 18507 2581 1 5 . 1 1 62 62 GLY H H 62 8.845 8.845 8.586 0.259 18507 2582 1 5 . 1 1 63 63 GLU N N 63 119.100 119.100 122.417 -3.317 18507 2583 1 5 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.859 -0.077 18507 2584 1 5 . 1 1 63 63 GLU C C 63 175.530 175.530 174.150 1.380 18507 2585 1 5 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.846 0.132 18507 2586 1 5 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.514 -1.131 18507 2587 1 5 . 1 1 63 63 GLU H H 63 8.015 8.015 8.180 -0.165 18507 2588 1 5 . 1 1 64 64 HIS N N 64 121.786 121.786 121.176 0.610 18507 2589 1 5 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.088 -0.271 18507 2590 1 5 . 1 1 64 64 HIS C C 64 174.358 174.358 173.520 0.838 18507 2591 1 5 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.745 0.225 18507 2592 1 5 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.071 1.038 18507 2593 1 5 . 1 1 64 64 HIS H H 64 8.830 8.830 8.948 -0.118 18507 2594 1 5 . 1 1 65 65 GLN N N 65 121.667 121.667 119.339 2.328 18507 2595 1 5 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.933 0.828 18507 2596 1 5 . 1 1 65 65 GLN C C 65 175.833 175.833 174.503 1.330 18507 2597 1 5 . 1 1 65 65 GLN CA C 65 53.833 53.833 54.943 -1.109 18507 2598 1 5 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.751 0.514 18507 2599 1 5 . 1 1 65 65 GLN H H 65 8.637 8.637 8.887 -0.250 18507 2600 1 5 . 1 1 66 66 TYR N N 66 116.908 116.908 120.608 -3.700 18507 2601 1 5 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.227 -0.052 18507 2602 1 5 . 1 1 66 66 TYR C C 66 171.751 171.751 173.816 -2.065 18507 2603 1 5 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.707 2.276 18507 2604 1 5 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.368 -0.638 18507 2605 1 5 . 1 1 66 66 TYR H H 66 8.894 8.894 8.435 0.459 18507 2606 1 5 . 1 1 67 67 LYS N N 67 118.307 118.307 118.178 0.129 18507 2607 1 5 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.974 -0.341 18507 2608 1 5 . 1 1 67 67 LYS C C 67 173.317 173.317 175.058 -1.741 18507 2609 1 5 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.882 1.994 18507 2610 1 5 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.915 0.285 18507 2611 1 5 . 1 1 67 67 LYS H H 67 8.927 8.927 8.433 0.494 18507 2612 1 5 . 1 1 68 68 PHE N N 68 118.691 118.691 122.586 -3.895 18507 2613 1 5 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.304 0.227 18507 2614 1 5 . 1 1 68 68 PHE C C 68 173.861 173.861 175.540 -1.679 18507 2615 1 5 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.456 0.492 18507 2616 1 5 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.070 0.202 18507 2617 1 5 . 1 1 68 68 PHE H H 68 8.436 8.436 8.309 0.127 18507 2618 1 5 . 1 1 69 69 PHE N N 69 125.718 125.718 123.736 1.982 18507 2619 1 5 . 1 1 69 69 PHE HA H 69 4.723 4.723 5.043 -0.320 18507 2620 1 5 . 1 1 69 69 PHE C C 69 174.574 174.574 173.243 1.331 18507 2621 1 5 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.727 -0.892 18507 2622 1 5 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.883 -0.727 18507 2623 1 5 . 1 1 69 69 PHE H H 69 9.000 9.000 8.636 0.364 18507 2624 1 5 . 1 1 70 70 VAL N N 70 126.808 126.808 125.061 1.747 18507 2625 1 5 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.801 -0.478 18507 2626 1 5 . 1 1 70 70 VAL C C 70 175.641 175.641 175.521 0.120 18507 2627 1 5 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.702 0.806 18507 2628 1 5 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.869 -1.399 18507 2629 1 5 . 1 1 70 70 VAL H H 70 8.688 8.688 7.818 0.870 18507 2630 1 5 . 1 1 71 71 ASP N N 71 128.747 128.747 122.938 5.809 18507 2631 1 5 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.225 0.010 18507 2632 1 5 . 1 1 71 71 ASP C C 71 176.119 176.119 176.372 -0.253 18507 2633 1 5 . 1 1 71 71 ASP CA C 71 55.649 55.649 55.077 0.572 18507 2634 1 5 . 1 1 71 71 ASP CB C 71 39.629 39.629 39.034 0.595 18507 2635 1 5 . 1 1 71 71 ASP H H 71 8.890 8.890 8.996 -0.106 18507 2636 1 5 . 1 1 72 72 GLY N N 72 100.856 100.856 103.869 -3.013 18507 2637 1 5 . 1 1 72 72 GLY C C 72 173.149 173.149 173.139 0.010 18507 2638 1 5 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.348 -0.093 18507 2639 1 5 . 1 1 72 72 GLY H H 72 7.437 7.437 8.535 -1.098 18507 2640 1 5 . 1 1 73 73 GLN N N 73 117.716 117.716 113.836 3.880 18507 2641 1 5 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.321 0.159 18507 2642 1 5 . 1 1 73 73 GLN C C 73 173.981 173.981 173.109 0.872 18507 2643 1 5 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.054 0.231 18507 2644 1 5 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.525 1.385 18507 2645 1 5 . 1 1 73 73 GLN H H 73 6.923 6.923 6.385 0.538 18507 2646 1 5 . 1 1 74 74 TRP N N 74 123.738 123.738 121.452 2.286 18507 2647 1 5 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.111 0.702 18507 2648 1 5 . 1 1 74 74 TRP C C 74 177.239 177.239 177.032 0.207 18507 2649 1 5 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.503 -0.715 18507 2650 1 5 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.965 -0.047 18507 2651 1 5 . 1 1 74 74 TRP H H 74 8.836 8.836 8.691 0.145 18507 2652 1 5 . 1 1 75 75 VAL N N 75 121.900 121.900 121.226 0.674 18507 2653 1 5 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.784 0.202 18507 2654 1 5 . 1 1 75 75 VAL C C 75 172.903 172.903 173.923 -1.020 18507 2655 1 5 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.294 1.331 18507 2656 1 5 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.789 0.865 18507 2657 1 5 . 1 1 75 75 VAL H H 75 10.049 10.049 8.723 1.326 18507 2658 1 5 . 1 1 76 76 HIS N N 76 119.400 119.400 116.309 3.091 18507 2659 1 5 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.288 0.290 18507 2660 1 5 . 1 1 76 76 HIS C C 76 173.084 173.084 173.524 -0.440 18507 2661 1 5 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.498 -0.239 18507 2662 1 5 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.668 0.139 18507 2663 1 5 . 1 1 76 76 HIS H H 76 7.758 7.758 8.285 -0.527 18507 2664 1 5 . 1 1 77 77 ASP N N 77 121.057 121.057 121.277 -0.220 18507 2665 1 5 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.199 -0.095 18507 2666 1 5 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.662 -0.198 18507 2667 1 5 . 1 1 77 77 ASP CB C 77 42.269 42.269 43.086 -0.817 18507 2668 1 5 . 1 1 77 77 ASP H H 77 10.717 10.717 8.976 1.741 18507 2669 1 5 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.531 0.004 18507 2670 1 5 . 1 1 78 78 PRO C C 78 177.387 177.387 177.271 0.116 18507 2671 1 5 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.179 -0.582 18507 2672 1 5 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.541 -0.215 18507 2673 1 5 . 1 1 79 79 SER N N 79 116.058 116.058 112.924 3.134 18507 2674 1 5 . 1 1 79 79 SER HA H 79 4.477 4.477 4.393 0.084 18507 2675 1 5 . 1 1 79 79 SER C C 79 173.819 173.819 174.979 -1.160 18507 2676 1 5 . 1 1 79 79 SER CA C 79 59.369 59.369 59.094 0.275 18507 2677 1 5 . 1 1 79 79 SER CB C 79 63.875 63.875 63.598 0.277 18507 2678 1 5 . 1 1 79 79 SER H H 79 8.853 8.853 8.162 0.691 18507 2679 1 5 . 1 1 80 80 GLU N N 80 122.620 122.620 120.342 2.278 18507 2680 1 5 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.716 0.243 18507 2681 1 5 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.857 -0.456 18507 2682 1 5 . 1 1 80 80 GLU CB C 80 30.620 30.620 29.822 0.798 18507 2683 1 5 . 1 1 80 80 GLU H H 80 7.332 7.332 7.458 -0.126 18507 2684 1 5 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.473 -0.034 18507 2685 1 5 . 1 1 81 81 PRO C C 81 177.020 177.020 175.946 1.074 18507 2686 1 5 . 1 1 81 81 PRO CA C 81 63.696 63.696 62.906 0.790 18507 2687 1 5 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.170 -1.951 18507 2688 1 5 . 1 1 82 82 VAL N N 82 114.720 114.720 117.977 -3.257 18507 2689 1 5 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.815 0.652 18507 2690 1 5 . 1 1 82 82 VAL C C 82 175.787 175.787 174.775 1.012 18507 2691 1 5 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.626 -1.027 18507 2692 1 5 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.749 3.009 18507 2693 1 5 . 1 1 82 82 VAL H H 82 8.221 8.221 7.948 0.273 18507 2694 1 5 . 1 1 83 83 VAL N N 83 117.999 117.999 123.695 -5.696 18507 2695 1 5 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.401 0.009 18507 2696 1 5 . 1 1 83 83 VAL C C 83 173.384 173.384 174.558 -1.174 18507 2697 1 5 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.132 -0.599 18507 2698 1 5 . 1 1 83 83 VAL CB C 83 35.305 35.305 35.177 0.128 18507 2699 1 5 . 1 1 83 83 VAL H H 83 8.898 8.898 8.973 -0.075 18507 2700 1 5 . 1 1 84 84 THR N N 84 120.469 120.469 122.703 -2.234 18507 2701 1 5 . 1 1 84 84 THR HA H 84 4.751 4.751 4.406 0.345 18507 2702 1 5 . 1 1 84 84 THR C C 84 174.975 174.975 174.060 0.915 18507 2703 1 5 . 1 1 84 84 THR CA C 84 61.446 61.446 62.836 -1.390 18507 2704 1 5 . 1 1 84 84 THR CB C 84 68.959 68.959 68.332 0.627 18507 2705 1 5 . 1 1 84 84 THR H H 84 8.309 8.309 8.428 -0.119 18507 2706 1 5 . 1 1 85 85 SER N N 85 123.544 123.544 121.479 2.065 18507 2707 1 5 . 1 1 85 85 SER HA H 85 4.533 4.533 4.408 0.125 18507 2708 1 5 . 1 1 85 85 SER CA C 85 57.027 57.027 57.262 -0.235 18507 2709 1 5 . 1 1 85 85 SER CB C 85 65.264 65.264 64.428 0.836 18507 2710 1 5 . 1 1 85 85 SER H H 85 9.137 9.137 8.319 0.818 18507 2711 1 5 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.155 -0.063 18507 2712 1 5 . 1 1 86 86 GLN C C 86 176.451 176.451 176.175 0.276 18507 2713 1 5 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.053 0.017 18507 2714 1 5 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.313 -0.178 18507 2715 1 5 . 1 1 87 87 LEU N N 87 117.032 117.032 118.948 -1.916 18507 2716 1 5 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.407 -0.148 18507 2717 1 5 . 1 1 87 87 LEU C C 87 177.470 177.470 177.534 -0.064 18507 2718 1 5 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.567 0.083 18507 2719 1 5 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.982 0.694 18507 2720 1 5 . 1 1 87 87 LEU H H 87 7.692 7.692 8.096 -0.404 18507 2721 1 5 . 1 1 88 88 GLY N N 88 107.770 107.770 108.680 -0.910 18507 2722 1 5 . 1 1 88 88 GLY C C 88 174.029 174.029 173.891 0.138 18507 2723 1 5 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.520 -0.258 18507 2724 1 5 . 1 1 88 88 GLY H H 88 7.932 7.932 8.178 -0.246 18507 2725 1 5 . 1 1 89 89 THR N N 89 112.596 112.596 112.867 -0.271 18507 2726 1 5 . 1 1 89 89 THR HA H 89 4.259 4.259 4.562 -0.303 18507 2727 1 5 . 1 1 89 89 THR C C 89 172.837 172.837 174.502 -1.665 18507 2728 1 5 . 1 1 89 89 THR CA C 89 60.743 60.743 59.655 1.088 18507 2729 1 5 . 1 1 89 89 THR CB C 89 69.845 69.845 70.046 -0.201 18507 2730 1 5 . 1 1 89 89 THR H H 89 7.148 7.148 7.232 -0.084 18507 2731 1 5 . 1 1 90 90 ILE N N 90 123.927 123.927 127.461 -3.534 18507 2732 1 5 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.160 0.250 18507 2733 1 5 . 1 1 90 90 ILE C C 90 175.007 175.007 175.220 -0.213 18507 2734 1 5 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.434 0.117 18507 2735 1 5 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.556 2.379 18507 2736 1 5 . 1 1 90 90 ILE H H 90 8.514 8.514 8.838 -0.324 18507 2737 1 5 . 1 1 91 91 ASN N N 91 123.450 123.450 123.060 0.390 18507 2738 1 5 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.920 0.367 18507 2739 1 5 . 1 1 91 91 ASN C C 91 175.916 175.916 173.688 2.228 18507 2740 1 5 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.642 -0.666 18507 2741 1 5 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.347 0.829 18507 2742 1 5 . 1 1 91 91 ASN H H 91 8.497 8.497 8.549 -0.052 18507 2743 1 5 . 1 1 92 92 ASN N N 92 115.675 115.675 117.781 -2.106 18507 2744 1 5 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.699 0.912 18507 2745 1 5 . 1 1 92 92 ASN C C 92 173.765 173.765 173.697 0.068 18507 2746 1 5 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.931 0.881 18507 2747 1 5 . 1 1 92 92 ASN CB C 92 41.743 41.743 38.970 2.773 18507 2748 1 5 . 1 1 92 92 ASN H H 92 8.721 8.721 8.444 0.277 18507 2749 1 5 . 1 1 93 93 LEU N N 93 120.001 120.001 119.626 0.375 18507 2750 1 5 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.686 0.651 18507 2751 1 5 . 1 1 93 93 LEU C C 93 175.864 175.864 174.878 0.986 18507 2752 1 5 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.321 -0.799 18507 2753 1 5 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.544 1.579 18507 2754 1 5 . 1 1 93 93 LEU H H 93 7.661 7.661 8.175 -0.514 18507 2755 1 5 . 1 1 94 94 ILE N N 94 124.682 124.682 124.772 -0.090 18507 2756 1 5 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.556 0.291 18507 2757 1 5 . 1 1 94 94 ILE C C 94 172.078 172.078 173.163 -1.085 18507 2758 1 5 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.219 -0.868 18507 2759 1 5 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.540 -0.449 18507 2760 1 5 . 1 1 94 94 ILE H H 94 9.282 9.282 9.208 0.074 18507 2761 1 5 . 1 1 95 95 HIS N N 95 126.782 126.782 127.301 -0.519 18507 2762 1 5 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.092 0.018 18507 2763 1 5 . 1 1 95 95 HIS C C 95 174.655 174.655 174.242 0.413 18507 2764 1 5 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.370 -0.036 18507 2765 1 5 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.692 0.707 18507 2766 1 5 . 1 1 95 95 HIS H H 95 8.690 8.690 8.556 0.134 18507 2767 1 5 . 1 1 96 96 VAL N N 96 128.616 128.616 124.926 3.690 18507 2768 1 5 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.328 -0.213 18507 2769 1 5 . 1 1 96 96 VAL C C 96 175.515 175.515 175.503 0.012 18507 2770 1 5 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.218 1.284 18507 2771 1 5 . 1 1 96 96 VAL CB C 96 32.332 32.332 32.750 -0.418 18507 2772 1 5 . 1 1 96 96 VAL H H 96 9.082 9.082 8.536 0.546 18507 2773 1 5 . 1 1 97 97 LYS N N 97 128.692 128.692 124.788 3.904 18507 2774 1 5 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.799 -0.249 18507 2775 1 5 . 1 1 97 97 LYS C C 97 176.019 176.019 174.743 1.276 18507 2776 1 5 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.630 0.461 18507 2777 1 5 . 1 1 97 97 LYS CB C 97 34.588 34.588 35.280 -0.692 18507 2778 1 5 . 1 1 97 97 LYS H H 97 8.708 8.708 8.266 0.442 18507 2779 1 5 . 1 1 98 98 LYS N N 98 122.635 122.635 119.200 3.435 18507 2780 1 5 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.575 -0.453 18507 2781 1 5 . 1 1 98 98 LYS C C 98 176.947 176.947 176.072 0.875 18507 2782 1 5 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.504 1.728 18507 2783 1 5 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.615 -0.766 18507 2784 1 5 . 1 1 98 98 LYS H H 98 8.717 8.717 8.231 0.486 18507 2785 1 5 . 1 1 99 99 SER N N 99 116.737 116.737 114.247 2.490 18507 2786 1 5 . 1 1 99 99 SER HA H 99 4.357 4.357 4.835 -0.478 18507 2787 1 5 . 1 1 99 99 SER C C 99 174.335 174.335 174.231 0.104 18507 2788 1 5 . 1 1 99 99 SER CA C 99 58.240 58.240 57.467 0.773 18507 2789 1 5 . 1 1 99 99 SER CB C 99 63.664 63.664 63.895 -0.231 18507 2790 1 5 . 1 1 99 99 SER H H 99 8.393 8.393 8.698 -0.305 18507 2791 1 5 . 1 1 100 100 ASP N N 100 122.287 122.287 120.130 2.157 18507 2792 1 5 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.777 -0.251 18507 2793 1 5 . 1 1 100 100 ASP C C 100 175.823 175.823 175.976 -0.153 18507 2794 1 5 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.336 0.477 18507 2795 1 5 . 1 1 100 100 ASP CB C 100 40.938 40.938 40.969 -0.031 18507 2796 1 5 . 1 1 100 100 ASP H H 100 8.288 8.288 8.201 0.087 18507 2797 1 5 . 1 1 101 101 PHE N N 101 118.668 118.668 118.887 -0.219 18507 2798 1 5 . 1 1 101 101 PHE HA H 101 4.575 4.575 3.972 0.603 18507 2799 1 5 . 1 1 101 101 PHE C C 101 175.279 175.279 176.469 -1.190 18507 2800 1 5 . 1 1 101 101 PHE CA C 101 57.462 57.462 60.489 -3.027 18507 2801 1 5 . 1 1 101 101 PHE CB C 101 39.557 39.557 39.468 0.090 18507 2802 1 5 . 1 1 101 101 PHE H H 101 7.923 7.923 7.941 -0.018 18507 2803 1 5 . 1 1 102 102 GLU N N 102 122.081 122.081 118.179 3.902 18507 2804 1 5 . 1 1 102 102 GLU HA H 102 4.180 4.180 4.028 0.152 18507 2805 1 5 . 1 1 102 102 GLU C C 102 175.388 175.388 176.485 -1.097 18507 2806 1 5 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.992 -1.684 18507 2807 1 5 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.600 0.985 18507 2808 1 5 . 1 1 102 102 GLU H H 102 8.138 8.138 8.582 -0.444 18507 2809 1 5 . 1 1 103 103 VAL N N 103 120.545 120.545 118.511 2.034 18507 2810 1 5 . 1 1 103 103 VAL HA H 103 4.024 4.024 4.180 -0.156 18507 2811 1 5 . 1 1 103 103 VAL C C 103 175.359 175.359 174.250 1.109 18507 2812 1 5 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.041 0.632 18507 2813 1 5 . 1 1 103 103 VAL CB C 103 33.098 33.098 33.154 -0.056 18507 2814 1 5 . 1 1 103 103 VAL H H 103 7.934 7.934 7.542 0.392 18507 2815 1 5 . 1 1 104 104 PHE N N 104 124.359 124.359 125.381 -1.022 18507 2816 1 5 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.751 -0.056 18507 2817 1 5 . 1 1 104 104 PHE C C 104 174.530 174.530 176.023 -1.493 18507 2818 1 5 . 1 1 104 104 PHE CA C 104 57.140 57.140 58.887 -1.747 18507 2819 1 5 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.577 0.387 18507 2820 1 5 . 1 1 104 104 PHE H H 104 8.340 8.340 8.850 -0.510 18507 2821 1 6 . 1 1 2 2 ALA N N 2 129.609 129.609 122.471 7.138 18507 2822 1 6 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.861 -0.525 18507 2823 1 6 . 1 1 2 2 ALA C C 2 177.730 177.730 175.374 2.356 18507 2824 1 6 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.574 0.016 18507 2825 1 6 . 1 1 2 2 ALA CB C 2 19.509 19.509 20.323 -0.814 18507 2826 1 6 . 1 1 2 2 ALA H H 2 8.252 8.252 8.312 -0.060 18507 2827 1 6 . 1 1 3 3 MET N N 3 119.597 119.597 120.496 -0.899 18507 2828 1 6 . 1 1 3 3 MET HA H 3 4.457 4.457 4.598 -0.141 18507 2829 1 6 . 1 1 3 3 MET C C 3 176.640 176.640 174.624 2.016 18507 2830 1 6 . 1 1 3 3 MET CA C 3 55.433 55.433 56.125 -0.692 18507 2831 1 6 . 1 1 3 3 MET CB C 3 32.141 32.141 35.390 -3.249 18507 2832 1 6 . 1 1 3 3 MET H H 3 8.526 8.526 8.461 0.065 18507 2833 1 6 . 1 1 4 4 GLY N N 4 110.104 110.104 112.834 -2.730 18507 2834 1 6 . 1 1 4 4 GLY C C 4 173.846 173.846 172.397 1.449 18507 2835 1 6 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.894 0.395 18507 2836 1 6 . 1 1 4 4 GLY H H 4 8.388 8.388 8.320 0.068 18507 2837 1 6 . 1 1 5 5 ILE N N 5 120.177 120.177 120.470 -0.293 18507 2838 1 6 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.631 -0.489 18507 2839 1 6 . 1 1 5 5 ILE C C 5 176.245 176.245 174.452 1.793 18507 2840 1 6 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.597 0.109 18507 2841 1 6 . 1 1 5 5 ILE CB C 5 38.686 38.686 39.859 -1.173 18507 2842 1 6 . 1 1 5 5 ILE H H 5 7.995 7.995 7.986 0.009 18507 2843 1 6 . 1 1 6 6 ARG N N 6 125.295 125.295 125.884 -0.589 18507 2844 1 6 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.610 -0.263 18507 2845 1 6 . 1 1 6 6 ARG C C 6 174.908 174.908 174.743 0.165 18507 2846 1 6 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.155 0.657 18507 2847 1 6 . 1 1 6 6 ARG CB C 6 30.829 30.829 31.908 -1.079 18507 2848 1 6 . 1 1 6 6 ARG H H 6 8.451 8.451 8.517 -0.066 18507 2849 1 6 . 1 1 7 7 ASN N N 7 125.979 125.979 119.675 6.304 18507 2850 1 6 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.815 -0.332 18507 2851 1 6 . 1 1 7 7 ASN C C 7 175.993 175.993 173.885 2.108 18507 2852 1 6 . 1 1 7 7 ASN CA C 7 54.699 54.699 53.274 1.425 18507 2853 1 6 . 1 1 7 7 ASN CB C 7 40.744 40.744 38.534 2.210 18507 2854 1 6 . 1 1 7 7 ASN H H 7 8.072 8.072 8.943 -0.871 18507 2855 1 6 . 1 1 8 8 SER N N 8 120.939 120.939 114.450 6.489 18507 2856 1 6 . 1 1 8 8 SER C C 8 174.402 174.402 174.297 0.105 18507 2857 1 6 . 1 1 8 8 SER CA C 8 58.678 58.678 58.825 -0.147 18507 2858 1 6 . 1 1 8 8 SER CB C 8 63.735 63.735 62.789 0.946 18507 2859 1 6 . 1 1 8 8 SER H H 8 8.363 8.363 8.241 0.122 18507 2860 1 6 . 1 1 9 9 ASP N N 9 122.169 122.169 121.014 1.155 18507 2861 1 6 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.425 0.187 18507 2862 1 6 . 1 1 9 9 ASP C C 9 176.302 176.302 176.475 -0.173 18507 2863 1 6 . 1 1 9 9 ASP CA C 9 54.667 54.667 55.504 -0.837 18507 2864 1 6 . 1 1 9 9 ASP CB C 9 41.092 41.092 40.761 0.331 18507 2865 1 6 . 1 1 9 9 ASP H H 9 8.334 8.334 8.356 -0.022 18507 2866 1 6 . 1 1 10 10 SER N N 10 115.330 115.330 115.118 0.212 18507 2867 1 6 . 1 1 10 10 SER HA H 10 4.408 4.408 4.270 0.138 18507 2868 1 6 . 1 1 10 10 SER C C 10 174.338 174.338 173.150 1.188 18507 2869 1 6 . 1 1 10 10 SER CA C 10 58.421 58.421 58.249 0.172 18507 2870 1 6 . 1 1 10 10 SER CB C 10 63.749 63.749 62.962 0.787 18507 2871 1 6 . 1 1 10 10 SER H H 10 8.130 8.130 8.433 -0.303 18507 2872 1 6 . 1 1 11 11 VAL N N 11 121.719 121.719 116.254 5.465 18507 2873 1 6 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.403 -0.315 18507 2874 1 6 . 1 1 11 11 VAL C C 11 175.837 175.837 174.875 0.962 18507 2875 1 6 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.402 0.570 18507 2876 1 6 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.325 -0.817 18507 2877 1 6 . 1 1 11 11 VAL H H 11 8.040 8.040 7.675 0.365 18507 2878 1 6 . 1 1 12 12 LYS N N 12 126.544 126.544 127.230 -0.686 18507 2879 1 6 . 1 1 12 12 LYS H H 12 8.349 8.349 8.574 -0.225 18507 2880 1 6 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.463 -0.004 18507 2881 1 6 . 1 1 13 13 PRO C C 13 177.038 177.038 176.824 0.214 18507 2882 1 6 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.232 -0.364 18507 2883 1 6 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.939 0.243 18507 2884 1 6 . 1 1 14 14 THR N N 14 114.515 114.515 116.432 -1.917 18507 2885 1 6 . 1 1 14 14 THR HA H 14 4.255 4.255 4.108 0.147 18507 2886 1 6 . 1 1 14 14 THR C C 14 174.477 174.477 175.397 -0.920 18507 2887 1 6 . 1 1 14 14 THR CA C 14 61.813 61.813 63.456 -1.643 18507 2888 1 6 . 1 1 14 14 THR CB C 14 69.675 69.675 69.781 -0.106 18507 2889 1 6 . 1 1 14 14 THR H H 14 8.234 8.234 7.971 0.263 18507 2890 1 6 . 1 1 15 15 GLN N N 15 122.586 122.586 122.350 0.236 18507 2891 1 6 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.143 0.203 18507 2892 1 6 . 1 1 15 15 GLN C C 15 175.452 175.452 176.316 -0.864 18507 2893 1 6 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.581 -1.019 18507 2894 1 6 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.218 0.317 18507 2895 1 6 . 1 1 15 15 GLN H H 15 8.380 8.380 8.358 0.022 18507 2896 1 6 . 1 1 16 16 GLN N N 16 122.137 122.137 119.720 2.417 18507 2897 1 6 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.161 0.099 18507 2898 1 6 . 1 1 16 16 GLN C C 16 175.050 175.050 174.840 0.210 18507 2899 1 6 . 1 1 16 16 GLN CA C 16 55.542 55.542 56.294 -0.752 18507 2900 1 6 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.257 0.469 18507 2901 1 6 . 1 1 16 16 GLN H H 16 8.457 8.457 8.357 0.100 18507 2902 1 6 . 1 1 17 17 ALA N N 17 125.292 125.292 125.376 -0.084 18507 2903 1 6 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.524 -0.213 18507 2904 1 6 . 1 1 17 17 ALA C C 17 176.628 176.628 175.833 0.795 18507 2905 1 6 . 1 1 17 17 ALA CA C 17 51.712 51.712 52.075 -0.363 18507 2906 1 6 . 1 1 17 17 ALA CB C 17 19.967 19.967 21.143 -1.176 18507 2907 1 6 . 1 1 17 17 ALA H H 17 8.323 8.323 8.282 0.041 18507 2908 1 6 . 1 1 18 18 ARG N N 18 122.106 122.106 121.249 0.857 18507 2909 1 6 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.616 0.005 18507 2910 1 6 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.632 -0.406 18507 2911 1 6 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.426 0.349 18507 2912 1 6 . 1 1 18 18 ARG H H 18 8.591 8.591 8.610 -0.019 18507 2913 1 6 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.524 0.060 18507 2914 1 6 . 1 1 19 19 PRO C C 19 176.098 176.098 176.327 -0.229 18507 2915 1 6 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.566 0.395 18507 2916 1 6 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.436 -0.291 18507 2917 1 6 . 1 1 20 20 THR N N 20 121.694 121.694 113.634 8.060 18507 2918 1 6 . 1 1 20 20 THR HA H 20 4.228 4.228 4.279 -0.051 18507 2919 1 6 . 1 1 20 20 THR C C 20 172.413 172.413 174.115 -1.702 18507 2920 1 6 . 1 1 20 20 THR CA C 20 62.891 62.891 60.696 2.195 18507 2921 1 6 . 1 1 20 20 THR CB C 20 71.036 71.036 69.661 1.375 18507 2922 1 6 . 1 1 20 20 THR H H 20 9.046 9.046 8.234 0.812 18507 2923 1 6 . 1 1 21 21 VAL N N 21 127.141 127.141 125.024 2.117 18507 2924 1 6 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.252 0.295 18507 2925 1 6 . 1 1 21 21 VAL C C 21 175.345 175.345 174.320 1.025 18507 2926 1 6 . 1 1 21 21 VAL CA C 21 61.780 61.780 61.463 0.317 18507 2927 1 6 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.547 0.713 18507 2928 1 6 . 1 1 21 21 VAL H H 21 8.572 8.572 8.425 0.147 18507 2929 1 6 . 1 1 22 22 ILE N N 22 130.341 130.341 126.953 3.388 18507 2930 1 6 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.604 -0.311 18507 2931 1 6 . 1 1 22 22 ILE C C 22 173.794 173.794 174.573 -0.779 18507 2932 1 6 . 1 1 22 22 ILE CA C 22 59.451 59.451 61.053 -1.602 18507 2933 1 6 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.157 -2.493 18507 2934 1 6 . 1 1 22 22 ILE H H 22 8.913 8.913 8.156 0.757 18507 2935 1 6 . 1 1 23 23 ARG N N 23 125.596 125.596 125.244 0.352 18507 2936 1 6 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.059 0.450 18507 2937 1 6 . 1 1 23 23 ARG C C 23 174.125 174.125 174.621 -0.496 18507 2938 1 6 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.346 -1.341 18507 2939 1 6 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.854 2.730 18507 2940 1 6 . 1 1 23 23 ARG H H 23 8.595 8.595 8.719 -0.124 18507 2941 1 6 . 1 1 24 24 TRP N N 24 123.124 123.124 128.705 -5.581 18507 2942 1 6 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.989 -0.202 18507 2943 1 6 . 1 1 24 24 TRP C C 24 177.208 177.208 174.024 3.184 18507 2944 1 6 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.093 -0.119 18507 2945 1 6 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.342 0.065 18507 2946 1 6 . 1 1 24 24 TRP H H 24 9.098 9.098 9.146 -0.048 18507 2947 1 6 . 1 1 25 25 SER N N 25 123.623 123.623 121.447 2.176 18507 2948 1 6 . 1 1 25 25 SER HA H 25 4.827 4.827 4.692 0.135 18507 2949 1 6 . 1 1 25 25 SER CA C 25 58.442 58.442 57.062 1.380 18507 2950 1 6 . 1 1 25 25 SER CB C 25 63.993 63.993 64.446 -0.453 18507 2951 1 6 . 1 1 25 25 SER H H 25 8.837 8.837 8.100 0.737 18507 2952 1 6 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.424 -0.283 18507 2953 1 6 . 1 1 26 26 GLU C C 26 175.915 175.915 176.216 -0.301 18507 2954 1 6 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.664 -1.400 18507 2955 1 6 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.522 -1.238 18507 2956 1 6 . 1 1 27 27 GLY N N 27 109.186 109.186 107.762 1.424 18507 2957 1 6 . 1 1 27 27 GLY C C 27 173.380 173.380 174.786 -1.406 18507 2958 1 6 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.199 -0.567 18507 2959 1 6 . 1 1 27 27 GLY H H 27 8.434 8.434 8.688 -0.254 18507 2960 1 6 . 1 1 28 28 GLY N N 28 106.478 106.478 108.268 -1.790 18507 2961 1 6 . 1 1 28 28 GLY C C 28 172.572 172.572 174.380 -1.808 18507 2962 1 6 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.222 -0.525 18507 2963 1 6 . 1 1 28 28 GLY H H 28 7.948 7.948 7.797 0.151 18507 2964 1 6 . 1 1 29 29 LYS N N 29 120.742 120.742 118.489 2.253 18507 2965 1 6 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.448 0.167 18507 2966 1 6 . 1 1 29 29 LYS C C 29 177.173 177.173 176.321 0.852 18507 2967 1 6 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.670 1.281 18507 2968 1 6 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.278 0.557 18507 2969 1 6 . 1 1 29 29 LYS H H 29 10.077 10.077 8.200 1.877 18507 2970 1 6 . 1 1 30 30 GLU N N 30 121.578 121.578 118.050 3.528 18507 2971 1 6 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.377 -0.180 18507 2972 1 6 . 1 1 30 30 GLU C C 30 173.541 173.541 173.500 0.041 18507 2973 1 6 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.711 0.269 18507 2974 1 6 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.993 0.480 18507 2975 1 6 . 1 1 30 30 GLU H H 30 8.810 8.810 7.706 1.104 18507 2976 1 6 . 1 1 31 31 VAL N N 31 124.182 124.182 122.518 1.664 18507 2977 1 6 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.650 -0.110 18507 2978 1 6 . 1 1 31 31 VAL C C 31 173.552 173.552 174.081 -0.529 18507 2979 1 6 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.272 0.963 18507 2980 1 6 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.503 1.758 18507 2981 1 6 . 1 1 31 31 VAL H H 31 7.704 7.704 8.234 -0.530 18507 2982 1 6 . 1 1 32 32 PHE N N 32 123.930 123.930 124.787 -0.857 18507 2983 1 6 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.461 0.106 18507 2984 1 6 . 1 1 32 32 PHE C C 32 174.872 174.872 174.431 0.441 18507 2985 1 6 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.276 -1.291 18507 2986 1 6 . 1 1 32 32 PHE CB C 32 44.349 44.349 44.011 0.338 18507 2987 1 6 . 1 1 32 32 PHE H H 32 8.856 8.856 8.193 0.663 18507 2988 1 6 . 1 1 33 33 ILE N N 33 116.493 116.493 121.138 -4.645 18507 2989 1 6 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.581 -0.101 18507 2990 1 6 . 1 1 33 33 ILE C C 33 174.067 174.067 174.250 -0.183 18507 2991 1 6 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.221 0.287 18507 2992 1 6 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.763 1.531 18507 2993 1 6 . 1 1 33 33 ILE H H 33 9.316 9.316 9.213 0.103 18507 2994 1 6 . 1 1 34 34 SER N N 34 116.962 116.962 122.331 -5.369 18507 2995 1 6 . 1 1 34 34 SER HA H 34 4.496 4.496 4.831 -0.335 18507 2996 1 6 . 1 1 34 34 SER C C 34 170.691 170.691 172.317 -1.626 18507 2997 1 6 . 1 1 34 34 SER CA C 34 57.343 57.343 57.340 0.003 18507 2998 1 6 . 1 1 34 34 SER CB C 34 67.249 67.249 66.292 0.957 18507 2999 1 6 . 1 1 34 34 SER H H 34 8.518 8.518 8.512 0.006 18507 3000 1 6 . 1 1 35 35 GLY N N 35 106.806 106.806 108.157 -1.351 18507 3001 1 6 . 1 1 35 35 GLY C C 35 172.451 172.451 172.281 0.170 18507 3002 1 6 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.278 1.783 18507 3003 1 6 . 1 1 35 35 GLY H H 35 7.200 7.200 6.856 0.344 18507 3004 1 6 . 1 1 36 36 SER N N 36 115.550 115.550 116.239 -0.689 18507 3005 1 6 . 1 1 36 36 SER HA H 36 3.388 3.388 4.265 -0.877 18507 3006 1 6 . 1 1 36 36 SER C C 36 177.094 177.094 176.773 0.321 18507 3007 1 6 . 1 1 36 36 SER CA C 36 60.882 60.882 60.215 0.667 18507 3008 1 6 . 1 1 36 36 SER CB C 36 61.978 61.978 63.456 -1.478 18507 3009 1 6 . 1 1 36 36 SER H H 36 8.952 8.952 7.974 0.978 18507 3010 1 6 . 1 1 37 37 PHE N N 37 118.633 118.633 116.585 2.048 18507 3011 1 6 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.277 0.184 18507 3012 1 6 . 1 1 37 37 PHE C C 37 175.254 175.254 175.659 -0.405 18507 3013 1 6 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.349 -1.593 18507 3014 1 6 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.928 -0.165 18507 3015 1 6 . 1 1 37 37 PHE H H 37 6.475 6.475 8.032 -1.557 18507 3016 1 6 . 1 1 38 38 ASN N N 38 119.885 119.885 116.085 3.800 18507 3017 1 6 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.682 0.258 18507 3018 1 6 . 1 1 38 38 ASN C C 38 175.954 175.954 174.965 0.989 18507 3019 1 6 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.804 -0.523 18507 3020 1 6 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.823 -2.622 18507 3021 1 6 . 1 1 38 38 ASN H H 38 6.610 6.610 6.968 -0.358 18507 3022 1 6 . 1 1 39 39 ASN N N 39 117.264 117.264 118.398 -1.134 18507 3023 1 6 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.473 -0.163 18507 3024 1 6 . 1 1 39 39 ASN C C 39 173.171 173.171 174.840 -1.669 18507 3025 1 6 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.508 0.280 18507 3026 1 6 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.237 -0.243 18507 3027 1 6 . 1 1 39 39 ASN H H 39 7.822 7.822 7.833 -0.011 18507 3028 1 6 . 1 1 40 40 TRP N N 40 113.463 113.463 113.234 0.229 18507 3029 1 6 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.173 -0.172 18507 3030 1 6 . 1 1 40 40 TRP C C 40 177.457 177.457 176.487 0.970 18507 3031 1 6 . 1 1 40 40 TRP CA C 40 57.585 57.585 58.096 -0.511 18507 3032 1 6 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.361 -1.574 18507 3033 1 6 . 1 1 40 40 TRP H H 40 8.300 8.300 7.614 0.686 18507 3034 1 6 . 1 1 41 41 SER N N 41 113.321 113.321 114.310 -0.989 18507 3035 1 6 . 1 1 41 41 SER HA H 41 4.216 4.216 4.553 -0.337 18507 3036 1 6 . 1 1 41 41 SER C C 41 174.913 174.913 173.566 1.347 18507 3037 1 6 . 1 1 41 41 SER CA C 41 60.460 60.460 58.433 2.027 18507 3038 1 6 . 1 1 41 41 SER CB C 41 64.591 64.591 64.121 0.470 18507 3039 1 6 . 1 1 41 41 SER H H 41 7.549 7.549 8.321 -0.772 18507 3040 1 6 . 1 1 42 42 THR N N 42 112.097 112.097 113.896 -1.799 18507 3041 1 6 . 1 1 42 42 THR HA H 42 4.576 4.576 4.455 0.121 18507 3042 1 6 . 1 1 42 42 THR C C 42 174.798 174.798 172.523 2.275 18507 3043 1 6 . 1 1 42 42 THR CA C 42 59.920 59.920 61.067 -1.147 18507 3044 1 6 . 1 1 42 42 THR CB C 42 71.457 71.457 70.043 1.414 18507 3045 1 6 . 1 1 42 42 THR H H 42 7.088 7.088 7.703 -0.615 18507 3046 1 6 . 1 1 43 43 LYS N N 43 122.104 122.104 126.317 -4.213 18507 3047 1 6 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.995 -0.323 18507 3048 1 6 . 1 1 43 43 LYS C C 43 174.839 174.839 176.467 -1.628 18507 3049 1 6 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.709 0.584 18507 3050 1 6 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.551 -0.213 18507 3051 1 6 . 1 1 43 43 LYS H H 43 8.466 8.466 8.259 0.207 18507 3052 1 6 . 1 1 44 44 ILE N N 44 128.655 128.655 127.079 1.576 18507 3053 1 6 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.555 0.073 18507 3054 1 6 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.339 0.233 18507 3055 1 6 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.657 1.447 18507 3056 1 6 . 1 1 44 44 ILE H H 44 9.596 9.596 9.097 0.499 18507 3057 1 6 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.368 -0.063 18507 3058 1 6 . 1 1 45 45 PRO C C 45 174.315 174.315 176.105 -1.790 18507 3059 1 6 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.559 0.172 18507 3060 1 6 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.401 -0.155 18507 3061 1 6 . 1 1 46 46 LEU N N 46 122.198 122.198 124.581 -2.383 18507 3062 1 6 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.574 -0.061 18507 3063 1 6 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.788 1.765 18507 3064 1 6 . 1 1 46 46 LEU CB C 46 42.810 42.810 43.031 -0.221 18507 3065 1 6 . 1 1 46 46 LEU H H 46 8.157 8.157 7.540 0.617 18507 3066 1 6 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.865 0.485 18507 3067 1 6 . 1 1 47 47 ILE C C 47 175.903 175.903 176.028 -0.125 18507 3068 1 6 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.078 -1.664 18507 3069 1 6 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.751 2.645 18507 3070 1 6 . 1 1 48 48 LYS N N 48 128.033 128.033 128.879 -0.846 18507 3071 1 6 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.859 0.047 18507 3072 1 6 . 1 1 48 48 LYS C C 48 176.252 176.252 175.663 0.589 18507 3073 1 6 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.964 -0.262 18507 3074 1 6 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.777 -0.181 18507 3075 1 6 . 1 1 48 48 LYS H H 48 8.661 8.661 8.399 0.262 18507 3076 1 6 . 1 1 49 49 SER N N 49 122.194 122.194 119.860 2.334 18507 3077 1 6 . 1 1 49 49 SER HA H 49 4.367 4.367 4.628 -0.261 18507 3078 1 6 . 1 1 49 49 SER CA C 49 56.282 56.282 56.039 0.242 18507 3079 1 6 . 1 1 49 49 SER CB C 49 62.849 62.849 64.762 -1.913 18507 3080 1 6 . 1 1 49 49 SER H H 49 8.638 8.638 8.032 0.606 18507 3081 1 6 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.337 -0.295 18507 3082 1 6 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.503 -0.519 18507 3083 1 6 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.867 -1.970 18507 3084 1 6 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.626 0.089 18507 3085 1 6 . 1 1 51 51 ASN C C 51 174.091 174.091 174.305 -0.214 18507 3086 1 6 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.338 -0.562 18507 3087 1 6 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.239 -0.105 18507 3088 1 6 . 1 1 52 52 ASP N N 52 119.149 119.149 114.239 4.910 18507 3089 1 6 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.458 0.504 18507 3090 1 6 . 1 1 52 52 ASP C C 52 174.069 174.069 174.203 -0.134 18507 3091 1 6 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.320 0.224 18507 3092 1 6 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.268 1.288 18507 3093 1 6 . 1 1 52 52 ASP H H 52 8.031 8.031 7.453 0.578 18507 3094 1 6 . 1 1 53 53 PHE N N 53 118.169 118.169 117.523 0.646 18507 3095 1 6 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.778 0.372 18507 3096 1 6 . 1 1 53 53 PHE C C 53 175.583 175.583 175.729 -0.146 18507 3097 1 6 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.315 -0.943 18507 3098 1 6 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.435 1.456 18507 3099 1 6 . 1 1 53 53 PHE H H 53 8.534 8.534 8.754 -0.220 18507 3100 1 6 . 1 1 54 54 VAL N N 54 118.983 118.983 114.850 4.133 18507 3101 1 6 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.771 0.554 18507 3102 1 6 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.429 0.705 18507 3103 1 6 . 1 1 54 54 VAL CB C 54 36.749 36.749 35.990 0.759 18507 3104 1 6 . 1 1 54 54 VAL H H 54 9.324 9.324 8.068 1.256 18507 3105 1 6 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.796 -0.089 18507 3106 1 6 . 1 1 55 55 ALA C C 55 174.786 174.786 175.576 -0.790 18507 3107 1 6 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.441 0.446 18507 3108 1 6 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.374 -0.686 18507 3109 1 6 . 1 1 56 56 ILE N N 56 120.457 120.457 120.321 0.136 18507 3110 1 6 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.348 0.204 18507 3111 1 6 . 1 1 56 56 ILE C C 56 175.419 175.419 174.347 1.072 18507 3112 1 6 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.728 1.194 18507 3113 1 6 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.455 0.036 18507 3114 1 6 . 1 1 56 56 ILE H H 56 8.239 8.239 8.345 -0.106 18507 3115 1 6 . 1 1 57 57 LEU N N 57 127.392 127.392 123.260 4.132 18507 3116 1 6 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.632 -0.126 18507 3117 1 6 . 1 1 57 57 LEU C C 57 175.108 175.108 175.052 0.056 18507 3118 1 6 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.595 0.147 18507 3119 1 6 . 1 1 57 57 LEU CB C 57 45.170 45.170 45.835 -0.665 18507 3120 1 6 . 1 1 57 57 LEU H H 57 8.828 8.828 7.772 1.056 18507 3121 1 6 . 1 1 58 58 ASP N N 58 124.255 124.255 123.090 1.165 18507 3122 1 6 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.730 -0.102 18507 3123 1 6 . 1 1 58 58 ASP C C 58 175.066 175.066 175.821 -0.755 18507 3124 1 6 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.805 -1.864 18507 3125 1 6 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.720 -1.013 18507 3126 1 6 . 1 1 58 58 ASP H H 58 8.571 8.571 8.374 0.197 18507 3127 1 6 . 1 1 59 59 LEU N N 59 124.092 124.092 125.907 -1.815 18507 3128 1 6 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.809 -0.275 18507 3129 1 6 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.234 -0.361 18507 3130 1 6 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.573 -0.539 18507 3131 1 6 . 1 1 59 59 LEU H H 59 7.681 7.681 8.173 -0.492 18507 3132 1 6 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.499 0.102 18507 3133 1 6 . 1 1 60 60 PRO C C 60 175.599 175.599 176.082 -0.483 18507 3134 1 6 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.074 -0.592 18507 3135 1 6 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.650 0.018 18507 3136 1 6 . 1 1 61 61 GLU N N 61 119.164 119.164 121.431 -2.267 18507 3137 1 6 . 1 1 61 61 GLU HA H 61 3.859 3.859 4.144 -0.285 18507 3138 1 6 . 1 1 61 61 GLU C C 61 176.121 176.121 176.003 0.118 18507 3139 1 6 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.696 -0.238 18507 3140 1 6 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.211 1.038 18507 3141 1 6 . 1 1 61 61 GLU H H 61 8.500 8.500 8.676 -0.176 18507 3142 1 6 . 1 1 62 62 GLY N N 62 111.529 111.529 114.109 -2.580 18507 3143 1 6 . 1 1 62 62 GLY C C 62 171.313 171.313 171.630 -0.317 18507 3144 1 6 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.231 -1.762 18507 3145 1 6 . 1 1 62 62 GLY H H 62 8.845 8.845 8.193 0.652 18507 3146 1 6 . 1 1 63 63 GLU N N 63 119.100 119.100 122.157 -3.057 18507 3147 1 6 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.665 0.117 18507 3148 1 6 . 1 1 63 63 GLU C C 63 175.530 175.530 174.710 0.820 18507 3149 1 6 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.745 0.233 18507 3150 1 6 . 1 1 63 63 GLU CB C 63 31.383 31.383 31.317 0.066 18507 3151 1 6 . 1 1 63 63 GLU H H 63 8.015 8.015 8.212 -0.197 18507 3152 1 6 . 1 1 64 64 HIS N N 64 121.786 121.786 123.058 -1.272 18507 3153 1 6 . 1 1 64 64 HIS HA H 64 4.817 4.817 4.989 -0.172 18507 3154 1 6 . 1 1 64 64 HIS C C 64 174.358 174.358 173.255 1.103 18507 3155 1 6 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.101 0.869 18507 3156 1 6 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.279 0.830 18507 3157 1 6 . 1 1 64 64 HIS H H 64 8.830 8.830 8.961 -0.131 18507 3158 1 6 . 1 1 65 65 GLN N N 65 121.667 121.667 118.299 3.368 18507 3159 1 6 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.835 0.926 18507 3160 1 6 . 1 1 65 65 GLN C C 65 175.833 175.833 174.664 1.169 18507 3161 1 6 . 1 1 65 65 GLN CA C 65 53.833 53.833 54.944 -1.111 18507 3162 1 6 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.701 0.564 18507 3163 1 6 . 1 1 65 65 GLN H H 65 8.637 8.637 8.910 -0.273 18507 3164 1 6 . 1 1 66 66 TYR N N 66 116.908 116.908 120.347 -3.439 18507 3165 1 6 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.426 -0.251 18507 3166 1 6 . 1 1 66 66 TYR C C 66 171.751 171.751 174.024 -2.273 18507 3167 1 6 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.703 2.280 18507 3168 1 6 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.636 -0.906 18507 3169 1 6 . 1 1 66 66 TYR H H 66 8.894 8.894 7.618 1.276 18507 3170 1 6 . 1 1 67 67 LYS N N 67 118.307 118.307 117.945 0.362 18507 3171 1 6 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.871 -0.238 18507 3172 1 6 . 1 1 67 67 LYS C C 67 173.317 173.317 174.975 -1.658 18507 3173 1 6 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.889 1.987 18507 3174 1 6 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.929 0.271 18507 3175 1 6 . 1 1 67 67 LYS H H 67 8.927 8.927 8.500 0.427 18507 3176 1 6 . 1 1 68 68 PHE N N 68 118.691 118.691 122.274 -3.583 18507 3177 1 6 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.259 0.272 18507 3178 1 6 . 1 1 68 68 PHE C C 68 173.861 173.861 175.392 -1.531 18507 3179 1 6 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.482 0.466 18507 3180 1 6 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.025 0.247 18507 3181 1 6 . 1 1 68 68 PHE H H 68 8.436 8.436 8.306 0.130 18507 3182 1 6 . 1 1 69 69 PHE N N 69 125.718 125.718 124.191 1.527 18507 3183 1 6 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.919 -0.196 18507 3184 1 6 . 1 1 69 69 PHE C C 69 174.574 174.574 173.287 1.287 18507 3185 1 6 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.315 -0.479 18507 3186 1 6 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.347 -0.191 18507 3187 1 6 . 1 1 69 69 PHE H H 69 9.000 9.000 8.809 0.191 18507 3188 1 6 . 1 1 70 70 VAL N N 70 126.808 126.808 125.923 0.885 18507 3189 1 6 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.609 -0.286 18507 3190 1 6 . 1 1 70 70 VAL C C 70 175.641 175.641 175.633 0.008 18507 3191 1 6 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.108 1.400 18507 3192 1 6 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.256 -0.786 18507 3193 1 6 . 1 1 70 70 VAL H H 70 8.688 8.688 8.135 0.553 18507 3194 1 6 . 1 1 71 71 ASP N N 71 128.747 128.747 126.919 1.828 18507 3195 1 6 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.134 0.101 18507 3196 1 6 . 1 1 71 71 ASP C C 71 176.119 176.119 176.173 -0.054 18507 3197 1 6 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.806 0.843 18507 3198 1 6 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.050 -0.421 18507 3199 1 6 . 1 1 71 71 ASP H H 71 8.890 8.890 9.082 -0.192 18507 3200 1 6 . 1 1 72 72 GLY N N 72 100.856 100.856 103.686 -2.830 18507 3201 1 6 . 1 1 72 72 GLY C C 72 173.149 173.149 173.264 -0.115 18507 3202 1 6 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.154 0.101 18507 3203 1 6 . 1 1 72 72 GLY H H 72 7.437 7.437 8.307 -0.870 18507 3204 1 6 . 1 1 73 73 GLN N N 73 117.716 117.716 114.514 3.202 18507 3205 1 6 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.515 -0.035 18507 3206 1 6 . 1 1 73 73 GLN C C 73 173.981 173.981 173.285 0.696 18507 3207 1 6 . 1 1 73 73 GLN CA C 73 53.285 53.285 52.998 0.287 18507 3208 1 6 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.839 1.071 18507 3209 1 6 . 1 1 73 73 GLN H H 73 6.923 6.923 6.725 0.198 18507 3210 1 6 . 1 1 74 74 TRP N N 74 123.738 123.738 122.119 1.619 18507 3211 1 6 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.276 0.537 18507 3212 1 6 . 1 1 74 74 TRP C C 74 177.239 177.239 177.113 0.126 18507 3213 1 6 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.359 -0.571 18507 3214 1 6 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.853 0.065 18507 3215 1 6 . 1 1 74 74 TRP H H 74 8.836 8.836 8.804 0.032 18507 3216 1 6 . 1 1 75 75 VAL N N 75 121.900 121.900 119.455 2.445 18507 3217 1 6 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.590 0.396 18507 3218 1 6 . 1 1 75 75 VAL C C 75 172.903 172.903 173.999 -1.096 18507 3219 1 6 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.679 0.946 18507 3220 1 6 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.509 1.145 18507 3221 1 6 . 1 1 75 75 VAL H H 75 10.049 10.049 8.709 1.340 18507 3222 1 6 . 1 1 76 76 HIS N N 76 119.400 119.400 115.428 3.972 18507 3223 1 6 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.232 0.346 18507 3224 1 6 . 1 1 76 76 HIS C C 76 173.084 173.084 173.547 -0.463 18507 3225 1 6 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.100 0.160 18507 3226 1 6 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.909 -0.102 18507 3227 1 6 . 1 1 76 76 HIS H H 76 7.758 7.758 8.335 -0.577 18507 3228 1 6 . 1 1 77 77 ASP N N 77 121.057 121.057 122.293 -1.236 18507 3229 1 6 . 1 1 77 77 ASP HA H 77 5.104 5.104 4.993 0.111 18507 3230 1 6 . 1 1 77 77 ASP CA C 77 50.464 50.464 51.846 -1.382 18507 3231 1 6 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.316 -0.046 18507 3232 1 6 . 1 1 77 77 ASP H H 77 10.717 10.717 9.105 1.612 18507 3233 1 6 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.557 -0.022 18507 3234 1 6 . 1 1 78 78 PRO C C 78 177.387 177.387 177.610 -0.223 18507 3235 1 6 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.556 -0.959 18507 3236 1 6 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.549 -0.223 18507 3237 1 6 . 1 1 79 79 SER N N 79 116.058 116.058 112.213 3.845 18507 3238 1 6 . 1 1 79 79 SER HA H 79 4.477 4.477 4.440 0.037 18507 3239 1 6 . 1 1 79 79 SER C C 79 173.819 173.819 175.054 -1.235 18507 3240 1 6 . 1 1 79 79 SER CA C 79 59.369 59.369 59.068 0.301 18507 3241 1 6 . 1 1 79 79 SER CB C 79 63.875 63.875 63.382 0.493 18507 3242 1 6 . 1 1 79 79 SER H H 79 8.853 8.853 8.028 0.825 18507 3243 1 6 . 1 1 80 80 GLU N N 80 122.620 122.620 120.375 2.245 18507 3244 1 6 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.749 0.210 18507 3245 1 6 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.927 -0.526 18507 3246 1 6 . 1 1 80 80 GLU CB C 80 30.620 30.620 29.881 0.739 18507 3247 1 6 . 1 1 80 80 GLU H H 80 7.332 7.332 7.534 -0.202 18507 3248 1 6 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.496 -0.057 18507 3249 1 6 . 1 1 81 81 PRO C C 81 177.020 177.020 175.614 1.406 18507 3250 1 6 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.143 0.553 18507 3251 1 6 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.279 -2.061 18507 3252 1 6 . 1 1 82 82 VAL N N 82 114.720 114.720 116.891 -2.171 18507 3253 1 6 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.957 0.510 18507 3254 1 6 . 1 1 82 82 VAL C C 82 175.787 175.787 175.053 0.734 18507 3255 1 6 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.423 -0.824 18507 3256 1 6 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.547 3.211 18507 3257 1 6 . 1 1 82 82 VAL H H 82 8.221 8.221 7.921 0.300 18507 3258 1 6 . 1 1 83 83 VAL N N 83 117.999 117.999 121.857 -3.858 18507 3259 1 6 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.490 -0.080 18507 3260 1 6 . 1 1 83 83 VAL C C 83 173.384 173.384 174.230 -0.846 18507 3261 1 6 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.334 -0.801 18507 3262 1 6 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.271 -0.966 18507 3263 1 6 . 1 1 83 83 VAL H H 83 8.898 8.898 8.866 0.032 18507 3264 1 6 . 1 1 84 84 THR N N 84 120.469 120.469 123.994 -3.525 18507 3265 1 6 . 1 1 84 84 THR HA H 84 4.751 4.751 4.420 0.331 18507 3266 1 6 . 1 1 84 84 THR C C 84 174.975 174.975 173.828 1.147 18507 3267 1 6 . 1 1 84 84 THR CA C 84 61.446 61.446 62.538 -1.092 18507 3268 1 6 . 1 1 84 84 THR CB C 84 68.959 68.959 68.735 0.224 18507 3269 1 6 . 1 1 84 84 THR H H 84 8.309 8.309 8.359 -0.050 18507 3270 1 6 . 1 1 85 85 SER N N 85 123.544 123.544 121.178 2.366 18507 3271 1 6 . 1 1 85 85 SER HA H 85 4.533 4.533 4.346 0.187 18507 3272 1 6 . 1 1 85 85 SER CA C 85 57.027 57.027 57.178 -0.151 18507 3273 1 6 . 1 1 85 85 SER CB C 85 65.264 65.264 64.644 0.619 18507 3274 1 6 . 1 1 85 85 SER H H 85 9.137 9.137 8.040 1.097 18507 3275 1 6 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.148 -0.056 18507 3276 1 6 . 1 1 86 86 GLN C C 86 176.451 176.451 176.091 0.360 18507 3277 1 6 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.041 0.029 18507 3278 1 6 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.297 -0.161 18507 3279 1 6 . 1 1 87 87 LEU N N 87 117.032 117.032 118.997 -1.965 18507 3280 1 6 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.420 -0.161 18507 3281 1 6 . 1 1 87 87 LEU C C 87 177.470 177.470 177.520 -0.050 18507 3282 1 6 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.509 0.141 18507 3283 1 6 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.952 0.724 18507 3284 1 6 . 1 1 87 87 LEU H H 87 7.692 7.692 8.116 -0.424 18507 3285 1 6 . 1 1 88 88 GLY N N 88 107.770 107.770 108.863 -1.093 18507 3286 1 6 . 1 1 88 88 GLY C C 88 174.029 174.029 173.885 0.144 18507 3287 1 6 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.610 -0.348 18507 3288 1 6 . 1 1 88 88 GLY H H 88 7.932 7.932 8.175 -0.243 18507 3289 1 6 . 1 1 89 89 THR N N 89 112.596 112.596 112.661 -0.065 18507 3290 1 6 . 1 1 89 89 THR HA H 89 4.259 4.259 4.588 -0.329 18507 3291 1 6 . 1 1 89 89 THR C C 89 172.837 172.837 174.557 -1.720 18507 3292 1 6 . 1 1 89 89 THR CA C 89 60.743 60.743 59.501 1.242 18507 3293 1 6 . 1 1 89 89 THR CB C 89 69.845 69.845 70.094 -0.249 18507 3294 1 6 . 1 1 89 89 THR H H 89 7.148 7.148 7.251 -0.103 18507 3295 1 6 . 1 1 90 90 ILE N N 90 123.927 123.927 127.978 -4.051 18507 3296 1 6 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.156 0.254 18507 3297 1 6 . 1 1 90 90 ILE C C 90 175.007 175.007 175.255 -0.248 18507 3298 1 6 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.783 -0.232 18507 3299 1 6 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.548 2.387 18507 3300 1 6 . 1 1 90 90 ILE H H 90 8.514 8.514 8.857 -0.343 18507 3301 1 6 . 1 1 91 91 ASN N N 91 123.450 123.450 122.365 1.085 18507 3302 1 6 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.906 0.381 18507 3303 1 6 . 1 1 91 91 ASN C C 91 175.916 175.916 173.603 2.313 18507 3304 1 6 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.708 -0.732 18507 3305 1 6 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.325 0.851 18507 3306 1 6 . 1 1 91 91 ASN H H 91 8.497 8.497 8.569 -0.072 18507 3307 1 6 . 1 1 92 92 ASN N N 92 115.675 115.675 117.457 -1.782 18507 3308 1 6 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.788 0.823 18507 3309 1 6 . 1 1 92 92 ASN C C 92 173.765 173.765 173.994 -0.229 18507 3310 1 6 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.613 1.199 18507 3311 1 6 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.144 2.599 18507 3312 1 6 . 1 1 92 92 ASN H H 92 8.721 8.721 8.396 0.325 18507 3313 1 6 . 1 1 93 93 LEU N N 93 120.001 120.001 119.728 0.273 18507 3314 1 6 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.753 0.584 18507 3315 1 6 . 1 1 93 93 LEU C C 93 175.864 175.864 175.147 0.717 18507 3316 1 6 . 1 1 93 93 LEU CA C 93 53.522 53.522 53.950 -0.429 18507 3317 1 6 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.476 1.647 18507 3318 1 6 . 1 1 93 93 LEU H H 93 7.661 7.661 7.903 -0.242 18507 3319 1 6 . 1 1 94 94 ILE N N 94 124.682 124.682 124.913 -0.231 18507 3320 1 6 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.676 0.171 18507 3321 1 6 . 1 1 94 94 ILE C C 94 172.078 172.078 173.138 -1.060 18507 3322 1 6 . 1 1 94 94 ILE CA C 94 59.351 59.351 59.713 -0.362 18507 3323 1 6 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.525 -0.434 18507 3324 1 6 . 1 1 94 94 ILE H H 94 9.282 9.282 9.205 0.077 18507 3325 1 6 . 1 1 95 95 HIS N N 95 126.782 126.782 125.816 0.966 18507 3326 1 6 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.292 -0.182 18507 3327 1 6 . 1 1 95 95 HIS C C 95 174.655 174.655 174.422 0.233 18507 3328 1 6 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.628 -0.294 18507 3329 1 6 . 1 1 95 95 HIS CB C 95 31.399 31.399 31.425 -0.026 18507 3330 1 6 . 1 1 95 95 HIS H H 95 8.690 8.690 8.684 0.006 18507 3331 1 6 . 1 1 96 96 VAL N N 96 128.616 128.616 125.003 3.613 18507 3332 1 6 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.348 -0.233 18507 3333 1 6 . 1 1 96 96 VAL C C 96 175.515 175.515 175.564 -0.049 18507 3334 1 6 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.194 1.308 18507 3335 1 6 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.312 -0.980 18507 3336 1 6 . 1 1 96 96 VAL H H 96 9.082 9.082 8.832 0.250 18507 3337 1 6 . 1 1 97 97 LYS N N 97 128.692 128.692 125.908 2.784 18507 3338 1 6 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.592 -0.042 18507 3339 1 6 . 1 1 97 97 LYS C C 97 176.019 176.019 175.777 0.242 18507 3340 1 6 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.752 0.339 18507 3341 1 6 . 1 1 97 97 LYS CB C 97 34.588 34.588 34.767 -0.179 18507 3342 1 6 . 1 1 97 97 LYS H H 97 8.708 8.708 8.408 0.300 18507 3343 1 6 . 1 1 98 98 LYS N N 98 122.635 122.635 119.536 3.099 18507 3344 1 6 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.632 -0.510 18507 3345 1 6 . 1 1 98 98 LYS C C 98 176.947 176.947 175.721 1.226 18507 3346 1 6 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.851 1.381 18507 3347 1 6 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.971 -1.122 18507 3348 1 6 . 1 1 98 98 LYS H H 98 8.717 8.717 8.177 0.540 18507 3349 1 6 . 1 1 99 99 SER N N 99 116.737 116.737 115.667 1.070 18507 3350 1 6 . 1 1 99 99 SER HA H 99 4.357 4.357 4.823 -0.466 18507 3351 1 6 . 1 1 99 99 SER C C 99 174.335 174.335 174.134 0.201 18507 3352 1 6 . 1 1 99 99 SER CA C 99 58.240 58.240 57.973 0.267 18507 3353 1 6 . 1 1 99 99 SER CB C 99 63.664 63.664 63.396 0.268 18507 3354 1 6 . 1 1 99 99 SER H H 99 8.393 8.393 8.845 -0.452 18507 3355 1 6 . 1 1 100 100 ASP N N 100 122.287 122.287 119.815 2.472 18507 3356 1 6 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.771 -0.245 18507 3357 1 6 . 1 1 100 100 ASP C C 100 175.823 175.823 176.211 -0.388 18507 3358 1 6 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.900 -0.087 18507 3359 1 6 . 1 1 100 100 ASP CB C 100 40.938 40.938 40.982 -0.044 18507 3360 1 6 . 1 1 100 100 ASP H H 100 8.288 8.288 8.642 -0.354 18507 3361 1 6 . 1 1 101 101 PHE N N 101 118.668 118.668 115.720 2.948 18507 3362 1 6 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.778 -0.203 18507 3363 1 6 . 1 1 101 101 PHE C C 101 175.279 175.279 176.304 -1.025 18507 3364 1 6 . 1 1 101 101 PHE CA C 101 57.462 57.462 57.573 -0.111 18507 3365 1 6 . 1 1 101 101 PHE CB C 101 39.557 39.557 39.625 -0.068 18507 3366 1 6 . 1 1 101 101 PHE H H 101 7.923 7.923 7.783 0.140 18507 3367 1 6 . 1 1 102 102 GLU N N 102 122.081 122.081 120.674 1.407 18507 3368 1 6 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.469 0.711 18507 3369 1 6 . 1 1 102 102 GLU C C 102 175.388 175.388 176.681 -1.293 18507 3370 1 6 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.688 -1.380 18507 3371 1 6 . 1 1 102 102 GLU CB C 102 30.585 30.585 28.701 1.884 18507 3372 1 6 . 1 1 102 102 GLU H H 102 8.138 8.138 7.852 0.286 18507 3373 1 6 . 1 1 103 103 VAL N N 103 120.545 120.545 120.030 0.515 18507 3374 1 6 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.897 0.127 18507 3375 1 6 . 1 1 103 103 VAL C C 103 175.359 175.359 175.751 -0.392 18507 3376 1 6 . 1 1 103 103 VAL CA C 103 61.673 61.673 62.115 -0.442 18507 3377 1 6 . 1 1 103 103 VAL CB C 103 33.098 33.098 31.983 1.115 18507 3378 1 6 . 1 1 103 103 VAL H H 103 7.934 7.934 7.462 0.472 18507 3379 1 6 . 1 1 104 104 PHE N N 104 124.359 124.359 125.417 -1.058 18507 3380 1 6 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.588 0.107 18507 3381 1 6 . 1 1 104 104 PHE C C 104 174.530 174.530 175.892 -1.362 18507 3382 1 6 . 1 1 104 104 PHE CA C 104 57.140 57.140 57.921 -0.781 18507 3383 1 6 . 1 1 104 104 PHE CB C 104 39.964 39.964 38.871 1.093 18507 3384 1 6 . 1 1 104 104 PHE H H 104 8.340 8.340 8.447 -0.107 18507 3385 1 7 . 1 1 2 2 ALA N N 2 129.609 129.609 125.047 4.562 18507 3386 1 7 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.577 -0.241 18507 3387 1 7 . 1 1 2 2 ALA C C 2 177.730 177.730 178.152 -0.422 18507 3388 1 7 . 1 1 2 2 ALA CA C 2 52.590 52.590 51.855 0.735 18507 3389 1 7 . 1 1 2 2 ALA CB C 2 19.509 19.509 19.555 -0.046 18507 3390 1 7 . 1 1 2 2 ALA H H 2 8.252 8.252 8.144 0.108 18507 3391 1 7 . 1 1 3 3 MET N N 3 119.597 119.597 119.984 -0.387 18507 3392 1 7 . 1 1 3 3 MET HA H 3 4.457 4.457 4.180 0.277 18507 3393 1 7 . 1 1 3 3 MET C C 3 176.640 176.640 175.907 0.733 18507 3394 1 7 . 1 1 3 3 MET CA C 3 55.433 55.433 55.498 -0.065 18507 3395 1 7 . 1 1 3 3 MET CB C 3 32.141 32.141 33.016 -0.875 18507 3396 1 7 . 1 1 3 3 MET H H 3 8.526 8.526 8.009 0.517 18507 3397 1 7 . 1 1 4 4 GLY N N 4 110.104 110.104 111.703 -1.599 18507 3398 1 7 . 1 1 4 4 GLY C C 4 173.846 173.846 173.352 0.494 18507 3399 1 7 . 1 1 4 4 GLY CA C 4 45.289 45.289 45.069 0.220 18507 3400 1 7 . 1 1 4 4 GLY H H 4 8.388 8.388 8.433 -0.045 18507 3401 1 7 . 1 1 5 5 ILE N N 5 120.177 120.177 119.782 0.395 18507 3402 1 7 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.384 -0.242 18507 3403 1 7 . 1 1 5 5 ILE C C 5 176.245 176.245 174.340 1.905 18507 3404 1 7 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.831 -0.126 18507 3405 1 7 . 1 1 5 5 ILE CB C 5 38.686 38.686 39.412 -0.726 18507 3406 1 7 . 1 1 5 5 ILE H H 5 7.995 7.995 7.748 0.247 18507 3407 1 7 . 1 1 6 6 ARG N N 6 125.295 125.295 125.933 -0.638 18507 3408 1 7 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.650 -0.303 18507 3409 1 7 . 1 1 6 6 ARG C C 6 174.908 174.908 174.708 0.200 18507 3410 1 7 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.714 0.098 18507 3411 1 7 . 1 1 6 6 ARG CB C 6 30.829 30.829 31.991 -1.161 18507 3412 1 7 . 1 1 6 6 ARG H H 6 8.451 8.451 8.358 0.093 18507 3413 1 7 . 1 1 7 7 ASN N N 7 125.979 125.979 120.533 5.446 18507 3414 1 7 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.859 -0.376 18507 3415 1 7 . 1 1 7 7 ASN C C 7 175.993 175.993 175.338 0.655 18507 3416 1 7 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.848 1.851 18507 3417 1 7 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.492 1.252 18507 3418 1 7 . 1 1 7 7 ASN H H 7 8.072 8.072 8.502 -0.430 18507 3419 1 7 . 1 1 8 8 SER N N 8 120.939 120.939 118.841 2.098 18507 3420 1 7 . 1 1 8 8 SER C C 8 174.402 174.402 174.200 0.202 18507 3421 1 7 . 1 1 8 8 SER CA C 8 58.678 58.678 58.083 0.595 18507 3422 1 7 . 1 1 8 8 SER CB C 8 63.735 63.735 64.489 -0.754 18507 3423 1 7 . 1 1 8 8 SER H H 8 8.363 8.363 8.748 -0.385 18507 3424 1 7 . 1 1 9 9 ASP N N 9 122.169 122.169 120.970 1.199 18507 3425 1 7 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.602 0.010 18507 3426 1 7 . 1 1 9 9 ASP C C 9 176.302 176.302 176.246 0.056 18507 3427 1 7 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.322 0.346 18507 3428 1 7 . 1 1 9 9 ASP CB C 9 41.092 41.092 40.856 0.236 18507 3429 1 7 . 1 1 9 9 ASP H H 9 8.334 8.334 8.299 0.035 18507 3430 1 7 . 1 1 10 10 SER N N 10 115.330 115.330 115.246 0.084 18507 3431 1 7 . 1 1 10 10 SER HA H 10 4.408 4.408 4.320 0.088 18507 3432 1 7 . 1 1 10 10 SER C C 10 174.338 174.338 172.896 1.442 18507 3433 1 7 . 1 1 10 10 SER CA C 10 58.421 58.421 59.107 -0.686 18507 3434 1 7 . 1 1 10 10 SER CB C 10 63.749 63.749 62.529 1.220 18507 3435 1 7 . 1 1 10 10 SER H H 10 8.130 8.130 8.186 -0.056 18507 3436 1 7 . 1 1 11 11 VAL N N 11 121.719 121.719 118.158 3.561 18507 3437 1 7 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.346 -0.258 18507 3438 1 7 . 1 1 11 11 VAL C C 11 175.837 175.837 174.238 1.599 18507 3439 1 7 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.606 0.366 18507 3440 1 7 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.809 -1.300 18507 3441 1 7 . 1 1 11 11 VAL H H 11 8.040 8.040 7.695 0.345 18507 3442 1 7 . 1 1 12 12 LYS N N 12 126.544 126.544 125.703 0.841 18507 3443 1 7 . 1 1 12 12 LYS H H 12 8.349 8.349 8.304 0.045 18507 3444 1 7 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.389 0.070 18507 3445 1 7 . 1 1 13 13 PRO C C 13 177.038 177.038 176.698 0.340 18507 3446 1 7 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.278 -0.409 18507 3447 1 7 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.638 0.544 18507 3448 1 7 . 1 1 14 14 THR N N 14 114.515 114.515 113.100 1.415 18507 3449 1 7 . 1 1 14 14 THR HA H 14 4.255 4.255 4.134 0.121 18507 3450 1 7 . 1 1 14 14 THR C C 14 174.477 174.477 175.110 -0.633 18507 3451 1 7 . 1 1 14 14 THR CA C 14 61.813 61.813 62.077 -0.264 18507 3452 1 7 . 1 1 14 14 THR CB C 14 69.675 69.675 69.253 0.422 18507 3453 1 7 . 1 1 14 14 THR H H 14 8.234 8.234 7.592 0.642 18507 3454 1 7 . 1 1 15 15 GLN N N 15 122.586 122.586 119.878 2.708 18507 3455 1 7 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.153 0.193 18507 3456 1 7 . 1 1 15 15 GLN C C 15 175.452 175.452 175.965 -0.513 18507 3457 1 7 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.860 -1.298 18507 3458 1 7 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.285 0.250 18507 3459 1 7 . 1 1 15 15 GLN H H 15 8.380 8.380 8.461 -0.081 18507 3460 1 7 . 1 1 16 16 GLN N N 16 122.137 122.137 119.709 2.428 18507 3461 1 7 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.442 -0.182 18507 3462 1 7 . 1 1 16 16 GLN C C 16 175.050 175.050 174.476 0.574 18507 3463 1 7 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.244 0.298 18507 3464 1 7 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.587 0.139 18507 3465 1 7 . 1 1 16 16 GLN H H 16 8.457 8.457 8.561 -0.104 18507 3466 1 7 . 1 1 17 17 ALA N N 17 125.292 125.292 123.039 2.253 18507 3467 1 7 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.453 -0.142 18507 3468 1 7 . 1 1 17 17 ALA C C 17 176.628 176.628 175.871 0.757 18507 3469 1 7 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.763 -0.051 18507 3470 1 7 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.780 -0.813 18507 3471 1 7 . 1 1 17 17 ALA H H 17 8.323 8.323 8.269 0.054 18507 3472 1 7 . 1 1 18 18 ARG N N 18 122.106 122.106 122.063 0.043 18507 3473 1 7 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.746 -0.125 18507 3474 1 7 . 1 1 18 18 ARG CA C 18 53.226 53.226 54.079 -0.853 18507 3475 1 7 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.043 0.732 18507 3476 1 7 . 1 1 18 18 ARG H H 18 8.591 8.591 8.804 -0.213 18507 3477 1 7 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.466 0.118 18507 3478 1 7 . 1 1 19 19 PRO C C 19 176.098 176.098 176.369 -0.271 18507 3479 1 7 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.486 0.475 18507 3480 1 7 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.245 -0.100 18507 3481 1 7 . 1 1 20 20 THR N N 20 121.694 121.694 113.537 8.157 18507 3482 1 7 . 1 1 20 20 THR HA H 20 4.228 4.228 4.344 -0.116 18507 3483 1 7 . 1 1 20 20 THR C C 20 172.413 172.413 174.169 -1.756 18507 3484 1 7 . 1 1 20 20 THR CA C 20 62.891 62.891 60.605 2.286 18507 3485 1 7 . 1 1 20 20 THR CB C 20 71.036 71.036 69.895 1.141 18507 3486 1 7 . 1 1 20 20 THR H H 20 9.046 9.046 8.125 0.921 18507 3487 1 7 . 1 1 21 21 VAL N N 21 127.141 127.141 125.897 1.244 18507 3488 1 7 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.177 0.370 18507 3489 1 7 . 1 1 21 21 VAL C C 21 175.345 175.345 174.917 0.428 18507 3490 1 7 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.009 -0.229 18507 3491 1 7 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.420 0.839 18507 3492 1 7 . 1 1 21 21 VAL H H 21 8.572 8.572 8.402 0.170 18507 3493 1 7 . 1 1 22 22 ILE N N 22 130.341 130.341 127.451 2.890 18507 3494 1 7 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.531 -0.238 18507 3495 1 7 . 1 1 22 22 ILE C C 22 173.794 173.794 174.225 -0.431 18507 3496 1 7 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.615 -1.164 18507 3497 1 7 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.509 -2.845 18507 3498 1 7 . 1 1 22 22 ILE H H 22 8.913 8.913 7.979 0.934 18507 3499 1 7 . 1 1 23 23 ARG N N 23 125.596 125.596 127.818 -2.222 18507 3500 1 7 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.235 0.274 18507 3501 1 7 . 1 1 23 23 ARG C C 23 174.125 174.125 174.230 -0.105 18507 3502 1 7 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.445 -1.440 18507 3503 1 7 . 1 1 23 23 ARG CB C 23 34.584 34.584 34.147 0.437 18507 3504 1 7 . 1 1 23 23 ARG H H 23 8.595 8.595 8.857 -0.262 18507 3505 1 7 . 1 1 24 24 TRP N N 24 123.124 123.124 127.746 -4.622 18507 3506 1 7 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.913 -0.126 18507 3507 1 7 . 1 1 24 24 TRP C C 24 177.208 177.208 173.222 3.986 18507 3508 1 7 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.630 -0.656 18507 3509 1 7 . 1 1 24 24 TRP CB C 24 32.407 32.407 33.056 -0.648 18507 3510 1 7 . 1 1 24 24 TRP H H 24 9.098 9.098 9.160 -0.062 18507 3511 1 7 . 1 1 25 25 SER N N 25 123.623 123.623 121.245 2.378 18507 3512 1 7 . 1 1 25 25 SER HA H 25 4.827 4.827 4.510 0.317 18507 3513 1 7 . 1 1 25 25 SER CA C 25 58.442 58.442 57.076 1.366 18507 3514 1 7 . 1 1 25 25 SER CB C 25 63.993 63.993 63.654 0.339 18507 3515 1 7 . 1 1 25 25 SER H H 25 8.837 8.837 7.873 0.964 18507 3516 1 7 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.465 -0.324 18507 3517 1 7 . 1 1 26 26 GLU C C 26 175.915 175.915 176.094 -0.179 18507 3518 1 7 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.714 -1.450 18507 3519 1 7 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.459 -1.175 18507 3520 1 7 . 1 1 27 27 GLY N N 27 109.186 109.186 107.729 1.457 18507 3521 1 7 . 1 1 27 27 GLY C C 27 173.380 173.380 174.901 -1.521 18507 3522 1 7 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.208 -0.576 18507 3523 1 7 . 1 1 27 27 GLY H H 27 8.434 8.434 8.777 -0.343 18507 3524 1 7 . 1 1 28 28 GLY N N 28 106.478 106.478 108.399 -1.921 18507 3525 1 7 . 1 1 28 28 GLY C C 28 172.572 172.572 174.770 -2.198 18507 3526 1 7 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.340 -0.643 18507 3527 1 7 . 1 1 28 28 GLY H H 28 7.948 7.948 7.963 -0.015 18507 3528 1 7 . 1 1 29 29 LYS N N 29 120.742 120.742 117.889 2.853 18507 3529 1 7 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.454 0.161 18507 3530 1 7 . 1 1 29 29 LYS C C 29 177.173 177.173 175.480 1.693 18507 3531 1 7 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.715 1.236 18507 3532 1 7 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.591 0.244 18507 3533 1 7 . 1 1 29 29 LYS H H 29 10.077 10.077 8.229 1.848 18507 3534 1 7 . 1 1 30 30 GLU N N 30 121.578 121.578 117.841 3.737 18507 3535 1 7 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.394 -0.197 18507 3536 1 7 . 1 1 30 30 GLU C C 30 173.541 173.541 173.663 -0.122 18507 3537 1 7 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.556 0.424 18507 3538 1 7 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.967 0.506 18507 3539 1 7 . 1 1 30 30 GLU H H 30 8.810 8.810 7.650 1.160 18507 3540 1 7 . 1 1 31 31 VAL N N 31 124.182 124.182 121.875 2.307 18507 3541 1 7 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.663 -0.123 18507 3542 1 7 . 1 1 31 31 VAL C C 31 173.552 173.552 174.260 -0.708 18507 3543 1 7 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.691 0.543 18507 3544 1 7 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.676 1.585 18507 3545 1 7 . 1 1 31 31 VAL H H 31 7.704 7.704 8.205 -0.501 18507 3546 1 7 . 1 1 32 32 PHE N N 32 123.930 123.930 123.772 0.158 18507 3547 1 7 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.320 0.247 18507 3548 1 7 . 1 1 32 32 PHE C C 32 174.872 174.872 174.276 0.596 18507 3549 1 7 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.610 -1.625 18507 3550 1 7 . 1 1 32 32 PHE CB C 32 44.349 44.349 44.116 0.233 18507 3551 1 7 . 1 1 32 32 PHE H H 32 8.856 8.856 8.059 0.797 18507 3552 1 7 . 1 1 33 33 ILE N N 33 116.493 116.493 121.332 -4.839 18507 3553 1 7 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.506 -0.026 18507 3554 1 7 . 1 1 33 33 ILE C C 33 174.067 174.067 174.127 -0.060 18507 3555 1 7 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.223 0.286 18507 3556 1 7 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.819 1.475 18507 3557 1 7 . 1 1 33 33 ILE H H 33 9.316 9.316 9.106 0.210 18507 3558 1 7 . 1 1 34 34 SER N N 34 116.962 116.962 121.664 -4.702 18507 3559 1 7 . 1 1 34 34 SER HA H 34 4.496 4.496 4.791 -0.295 18507 3560 1 7 . 1 1 34 34 SER C C 34 170.691 170.691 171.926 -1.235 18507 3561 1 7 . 1 1 34 34 SER CA C 34 57.343 57.343 56.965 0.378 18507 3562 1 7 . 1 1 34 34 SER CB C 34 67.249 67.249 65.129 2.120 18507 3563 1 7 . 1 1 34 34 SER H H 34 8.518 8.518 8.623 -0.105 18507 3564 1 7 . 1 1 35 35 GLY N N 35 106.806 106.806 109.074 -2.268 18507 3565 1 7 . 1 1 35 35 GLY C C 35 172.451 172.451 172.263 0.188 18507 3566 1 7 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.456 1.605 18507 3567 1 7 . 1 1 35 35 GLY H H 35 7.200 7.200 7.103 0.097 18507 3568 1 7 . 1 1 36 36 SER N N 36 115.550 115.550 116.041 -0.491 18507 3569 1 7 . 1 1 36 36 SER HA H 36 3.388 3.388 4.289 -0.901 18507 3570 1 7 . 1 1 36 36 SER C C 36 177.094 177.094 176.921 0.173 18507 3571 1 7 . 1 1 36 36 SER CA C 36 60.882 60.882 60.850 0.032 18507 3572 1 7 . 1 1 36 36 SER CB C 36 61.978 61.978 63.435 -1.457 18507 3573 1 7 . 1 1 36 36 SER H H 36 8.952 8.952 7.876 1.076 18507 3574 1 7 . 1 1 37 37 PHE N N 37 118.633 118.633 117.709 0.924 18507 3575 1 7 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.257 0.204 18507 3576 1 7 . 1 1 37 37 PHE C C 37 175.254 175.254 175.523 -0.269 18507 3577 1 7 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.285 -1.529 18507 3578 1 7 . 1 1 37 37 PHE CB C 37 37.763 37.763 38.041 -0.278 18507 3579 1 7 . 1 1 37 37 PHE H H 37 6.475 6.475 8.001 -1.526 18507 3580 1 7 . 1 1 38 38 ASN N N 38 119.885 119.885 116.033 3.852 18507 3581 1 7 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.673 0.267 18507 3582 1 7 . 1 1 38 38 ASN C C 38 175.954 175.954 174.986 0.968 18507 3583 1 7 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.770 -0.489 18507 3584 1 7 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.802 -2.601 18507 3585 1 7 . 1 1 38 38 ASN H H 38 6.610 6.610 6.949 -0.339 18507 3586 1 7 . 1 1 39 39 ASN N N 39 117.264 117.264 118.426 -1.162 18507 3587 1 7 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.470 -0.160 18507 3588 1 7 . 1 1 39 39 ASN C C 39 173.171 173.171 174.841 -1.670 18507 3589 1 7 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.488 0.300 18507 3590 1 7 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.185 -0.191 18507 3591 1 7 . 1 1 39 39 ASN H H 39 7.822 7.822 7.868 -0.046 18507 3592 1 7 . 1 1 40 40 TRP N N 40 113.463 113.463 113.737 -0.274 18507 3593 1 7 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.162 -0.161 18507 3594 1 7 . 1 1 40 40 TRP C C 40 177.457 177.457 176.414 1.043 18507 3595 1 7 . 1 1 40 40 TRP CA C 40 57.585 57.585 58.051 -0.466 18507 3596 1 7 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.346 -1.559 18507 3597 1 7 . 1 1 40 40 TRP H H 40 8.300 8.300 7.722 0.578 18507 3598 1 7 . 1 1 41 41 SER N N 41 113.321 113.321 114.129 -0.808 18507 3599 1 7 . 1 1 41 41 SER HA H 41 4.216 4.216 4.623 -0.407 18507 3600 1 7 . 1 1 41 41 SER C C 41 174.913 174.913 174.261 0.652 18507 3601 1 7 . 1 1 41 41 SER CA C 41 60.460 60.460 59.228 1.232 18507 3602 1 7 . 1 1 41 41 SER CB C 41 64.591 64.591 64.788 -0.197 18507 3603 1 7 . 1 1 41 41 SER H H 41 7.549 7.549 8.397 -0.848 18507 3604 1 7 . 1 1 42 42 THR N N 42 112.097 112.097 115.849 -3.752 18507 3605 1 7 . 1 1 42 42 THR HA H 42 4.576 4.576 4.392 0.184 18507 3606 1 7 . 1 1 42 42 THR C C 42 174.798 174.798 172.484 2.314 18507 3607 1 7 . 1 1 42 42 THR CA C 42 59.920 59.920 61.794 -1.874 18507 3608 1 7 . 1 1 42 42 THR CB C 42 71.457 71.457 70.573 0.884 18507 3609 1 7 . 1 1 42 42 THR H H 42 7.088 7.088 7.876 -0.788 18507 3610 1 7 . 1 1 43 43 LYS N N 43 122.104 122.104 125.788 -3.684 18507 3611 1 7 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.663 0.009 18507 3612 1 7 . 1 1 43 43 LYS C C 43 174.839 174.839 176.267 -1.428 18507 3613 1 7 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.891 0.402 18507 3614 1 7 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.452 -0.114 18507 3615 1 7 . 1 1 43 43 LYS H H 43 8.466 8.466 8.242 0.224 18507 3616 1 7 . 1 1 44 44 ILE N N 44 128.655 128.655 126.603 2.052 18507 3617 1 7 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.542 0.086 18507 3618 1 7 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.232 0.340 18507 3619 1 7 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.610 1.494 18507 3620 1 7 . 1 1 44 44 ILE H H 44 9.596 9.596 9.146 0.450 18507 3621 1 7 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.360 -0.055 18507 3622 1 7 . 1 1 45 45 PRO C C 45 174.315 174.315 176.045 -1.730 18507 3623 1 7 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.523 0.208 18507 3624 1 7 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.314 -0.068 18507 3625 1 7 . 1 1 46 46 LEU N N 46 122.198 122.198 124.817 -2.619 18507 3626 1 7 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.501 0.012 18507 3627 1 7 . 1 1 46 46 LEU CA C 46 55.553 55.553 54.024 1.529 18507 3628 1 7 . 1 1 46 46 LEU CB C 46 42.810 42.810 43.253 -0.443 18507 3629 1 7 . 1 1 46 46 LEU H H 46 8.157 8.157 7.454 0.703 18507 3630 1 7 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.950 0.400 18507 3631 1 7 . 1 1 47 47 ILE C C 47 175.903 175.903 176.217 -0.314 18507 3632 1 7 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.006 -1.592 18507 3633 1 7 . 1 1 47 47 ILE CB C 47 39.396 39.396 37.419 1.977 18507 3634 1 7 . 1 1 48 48 LYS N N 48 128.033 128.033 128.540 -0.507 18507 3635 1 7 . 1 1 48 48 LYS HA H 48 3.906 3.906 4.092 -0.186 18507 3636 1 7 . 1 1 48 48 LYS C C 48 176.252 176.252 175.615 0.637 18507 3637 1 7 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.592 0.110 18507 3638 1 7 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.601 -0.005 18507 3639 1 7 . 1 1 48 48 LYS H H 48 8.661 8.661 8.377 0.284 18507 3640 1 7 . 1 1 49 49 SER N N 49 122.194 122.194 118.579 3.615 18507 3641 1 7 . 1 1 49 49 SER HA H 49 4.367 4.367 4.555 -0.188 18507 3642 1 7 . 1 1 49 49 SER CA C 49 56.282 56.282 56.259 0.023 18507 3643 1 7 . 1 1 49 49 SER CB C 49 62.849 62.849 65.106 -2.256 18507 3644 1 7 . 1 1 49 49 SER H H 49 8.638 8.638 8.034 0.604 18507 3645 1 7 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.304 -0.262 18507 3646 1 7 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.497 -0.513 18507 3647 1 7 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.887 -1.990 18507 3648 1 7 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.634 0.081 18507 3649 1 7 . 1 1 51 51 ASN C C 51 174.091 174.091 174.204 -0.113 18507 3650 1 7 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.051 -0.275 18507 3651 1 7 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.415 -0.281 18507 3652 1 7 . 1 1 52 52 ASP N N 52 119.149 119.149 112.907 6.242 18507 3653 1 7 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.340 0.622 18507 3654 1 7 . 1 1 52 52 ASP C C 52 174.069 174.069 174.214 -0.145 18507 3655 1 7 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.261 0.283 18507 3656 1 7 . 1 1 52 52 ASP CB C 52 43.556 43.556 41.640 1.916 18507 3657 1 7 . 1 1 52 52 ASP H H 52 8.031 8.031 7.449 0.582 18507 3658 1 7 . 1 1 53 53 PHE N N 53 118.169 118.169 117.154 1.015 18507 3659 1 7 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.936 0.214 18507 3660 1 7 . 1 1 53 53 PHE C C 53 175.583 175.583 176.004 -0.421 18507 3661 1 7 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.225 -0.853 18507 3662 1 7 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.450 1.441 18507 3663 1 7 . 1 1 53 53 PHE H H 53 8.534 8.534 8.227 0.307 18507 3664 1 7 . 1 1 54 54 VAL N N 54 118.983 118.983 120.367 -1.384 18507 3665 1 7 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.827 0.498 18507 3666 1 7 . 1 1 54 54 VAL CA C 54 60.134 60.134 60.591 -0.457 18507 3667 1 7 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.503 0.246 18507 3668 1 7 . 1 1 54 54 VAL H H 54 9.324 9.324 8.399 0.925 18507 3669 1 7 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.825 -0.118 18507 3670 1 7 . 1 1 55 55 ALA C C 55 174.786 174.786 175.509 -0.723 18507 3671 1 7 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.216 0.671 18507 3672 1 7 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.220 -0.531 18507 3673 1 7 . 1 1 56 56 ILE N N 56 120.457 120.457 120.728 -0.271 18507 3674 1 7 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.367 0.185 18507 3675 1 7 . 1 1 56 56 ILE C C 56 175.419 175.419 174.436 0.983 18507 3676 1 7 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.579 1.343 18507 3677 1 7 . 1 1 56 56 ILE CB C 56 38.491 38.491 39.133 -0.642 18507 3678 1 7 . 1 1 56 56 ILE H H 56 8.239 8.239 8.354 -0.115 18507 3679 1 7 . 1 1 57 57 LEU N N 57 127.392 127.392 123.183 4.209 18507 3680 1 7 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.692 -0.186 18507 3681 1 7 . 1 1 57 57 LEU C C 57 175.108 175.108 175.142 -0.034 18507 3682 1 7 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.610 0.132 18507 3683 1 7 . 1 1 57 57 LEU CB C 57 45.170 45.170 46.042 -0.873 18507 3684 1 7 . 1 1 57 57 LEU H H 57 8.828 8.828 7.920 0.908 18507 3685 1 7 . 1 1 58 58 ASP N N 58 124.255 124.255 120.501 3.754 18507 3686 1 7 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.708 -0.080 18507 3687 1 7 . 1 1 58 58 ASP C C 58 175.066 175.066 175.640 -0.574 18507 3688 1 7 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.027 -1.086 18507 3689 1 7 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.492 -0.785 18507 3690 1 7 . 1 1 58 58 ASP H H 58 8.571 8.571 8.366 0.205 18507 3691 1 7 . 1 1 59 59 LEU N N 59 124.092 124.092 125.001 -0.909 18507 3692 1 7 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.775 -0.240 18507 3693 1 7 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.169 -0.296 18507 3694 1 7 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.305 -0.271 18507 3695 1 7 . 1 1 59 59 LEU H H 59 7.681 7.681 7.937 -0.256 18507 3696 1 7 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.483 0.118 18507 3697 1 7 . 1 1 60 60 PRO C C 60 175.599 175.599 176.080 -0.481 18507 3698 1 7 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.105 -0.623 18507 3699 1 7 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.590 0.078 18507 3700 1 7 . 1 1 61 61 GLU N N 61 119.164 119.164 121.919 -2.755 18507 3701 1 7 . 1 1 61 61 GLU HA H 61 3.859 3.859 4.080 -0.221 18507 3702 1 7 . 1 1 61 61 GLU C C 61 176.121 176.121 175.568 0.553 18507 3703 1 7 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.724 -0.266 18507 3704 1 7 . 1 1 61 61 GLU CB C 61 30.249 30.249 28.998 1.251 18507 3705 1 7 . 1 1 61 61 GLU H H 61 8.500 8.500 8.626 -0.126 18507 3706 1 7 . 1 1 62 62 GLY N N 62 111.529 111.529 114.581 -3.052 18507 3707 1 7 . 1 1 62 62 GLY C C 62 171.313 171.313 171.249 0.064 18507 3708 1 7 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.156 -1.687 18507 3709 1 7 . 1 1 62 62 GLY H H 62 8.845 8.845 8.121 0.724 18507 3710 1 7 . 1 1 63 63 GLU N N 63 119.100 119.100 121.762 -2.662 18507 3711 1 7 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.409 0.373 18507 3712 1 7 . 1 1 63 63 GLU C C 63 175.530 175.530 174.484 1.046 18507 3713 1 7 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.703 0.275 18507 3714 1 7 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.146 -0.763 18507 3715 1 7 . 1 1 63 63 GLU H H 63 8.015 8.015 8.037 -0.022 18507 3716 1 7 . 1 1 64 64 HIS N N 64 121.786 121.786 121.666 0.120 18507 3717 1 7 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.097 -0.280 18507 3718 1 7 . 1 1 64 64 HIS C C 64 174.358 174.358 173.512 0.846 18507 3719 1 7 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.621 0.349 18507 3720 1 7 . 1 1 64 64 HIS CB C 64 34.109 34.109 32.967 1.142 18507 3721 1 7 . 1 1 64 64 HIS H H 64 8.830 8.830 8.883 -0.053 18507 3722 1 7 . 1 1 65 65 GLN N N 65 121.667 121.667 118.724 2.943 18507 3723 1 7 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.974 0.787 18507 3724 1 7 . 1 1 65 65 GLN C C 65 175.833 175.833 174.541 1.292 18507 3725 1 7 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.059 -1.226 18507 3726 1 7 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.976 0.289 18507 3727 1 7 . 1 1 65 65 GLN H H 65 8.637 8.637 8.972 -0.335 18507 3728 1 7 . 1 1 66 66 TYR N N 66 116.908 116.908 120.170 -3.262 18507 3729 1 7 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.345 -0.170 18507 3730 1 7 . 1 1 66 66 TYR C C 66 171.751 171.751 173.896 -2.145 18507 3731 1 7 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.793 2.190 18507 3732 1 7 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.739 -1.009 18507 3733 1 7 . 1 1 66 66 TYR H H 66 8.894 8.894 7.663 1.231 18507 3734 1 7 . 1 1 67 67 LYS N N 67 118.307 118.307 118.146 0.161 18507 3735 1 7 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.733 -0.100 18507 3736 1 7 . 1 1 67 67 LYS C C 67 173.317 173.317 174.987 -1.670 18507 3737 1 7 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.854 2.022 18507 3738 1 7 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.944 0.256 18507 3739 1 7 . 1 1 67 67 LYS H H 67 8.927 8.927 8.552 0.375 18507 3740 1 7 . 1 1 68 68 PHE N N 68 118.691 118.691 122.311 -3.620 18507 3741 1 7 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.241 0.290 18507 3742 1 7 . 1 1 68 68 PHE C C 68 173.861 173.861 175.564 -1.703 18507 3743 1 7 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.589 0.359 18507 3744 1 7 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.124 0.147 18507 3745 1 7 . 1 1 68 68 PHE H H 68 8.436 8.436 8.296 0.140 18507 3746 1 7 . 1 1 69 69 PHE N N 69 125.718 125.718 123.510 2.208 18507 3747 1 7 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.952 -0.229 18507 3748 1 7 . 1 1 69 69 PHE C C 69 174.574 174.574 173.222 1.352 18507 3749 1 7 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.699 -0.863 18507 3750 1 7 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.876 -0.720 18507 3751 1 7 . 1 1 69 69 PHE H H 69 9.000 9.000 8.570 0.430 18507 3752 1 7 . 1 1 70 70 VAL N N 70 126.808 126.808 125.214 1.594 18507 3753 1 7 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.591 -0.268 18507 3754 1 7 . 1 1 70 70 VAL C C 70 175.641 175.641 175.712 -0.071 18507 3755 1 7 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.404 1.104 18507 3756 1 7 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.528 -1.058 18507 3757 1 7 . 1 1 70 70 VAL H H 70 8.688 8.688 8.033 0.655 18507 3758 1 7 . 1 1 71 71 ASP N N 71 128.747 128.747 125.709 3.038 18507 3759 1 7 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.184 0.051 18507 3760 1 7 . 1 1 71 71 ASP C C 71 176.119 176.119 176.259 -0.140 18507 3761 1 7 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.748 0.901 18507 3762 1 7 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.313 -0.684 18507 3763 1 7 . 1 1 71 71 ASP H H 71 8.890 8.890 9.010 -0.120 18507 3764 1 7 . 1 1 72 72 GLY N N 72 100.856 100.856 104.093 -3.237 18507 3765 1 7 . 1 1 72 72 GLY C C 72 173.149 173.149 173.224 -0.075 18507 3766 1 7 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.227 0.028 18507 3767 1 7 . 1 1 72 72 GLY H H 72 7.437 7.437 8.405 -0.968 18507 3768 1 7 . 1 1 73 73 GLN N N 73 117.716 117.716 113.896 3.820 18507 3769 1 7 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.315 0.165 18507 3770 1 7 . 1 1 73 73 GLN C C 73 173.981 173.981 173.022 0.959 18507 3771 1 7 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.045 0.240 18507 3772 1 7 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.609 1.301 18507 3773 1 7 . 1 1 73 73 GLN H H 73 6.923 6.923 6.478 0.445 18507 3774 1 7 . 1 1 74 74 TRP N N 74 123.738 123.738 121.976 1.762 18507 3775 1 7 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.196 0.617 18507 3776 1 7 . 1 1 74 74 TRP C C 74 177.239 177.239 177.210 0.029 18507 3777 1 7 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.266 -0.478 18507 3778 1 7 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.780 0.138 18507 3779 1 7 . 1 1 74 74 TRP H H 74 8.836 8.836 8.730 0.106 18507 3780 1 7 . 1 1 75 75 VAL N N 75 121.900 121.900 119.748 2.152 18507 3781 1 7 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.852 0.134 18507 3782 1 7 . 1 1 75 75 VAL C C 75 172.903 172.903 174.098 -1.195 18507 3783 1 7 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.370 1.255 18507 3784 1 7 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.383 1.271 18507 3785 1 7 . 1 1 75 75 VAL H H 75 10.049 10.049 8.701 1.348 18507 3786 1 7 . 1 1 76 76 HIS N N 76 119.400 119.400 115.630 3.770 18507 3787 1 7 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.232 0.346 18507 3788 1 7 . 1 1 76 76 HIS C C 76 173.084 173.084 173.666 -0.582 18507 3789 1 7 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.413 -0.153 18507 3790 1 7 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.398 0.409 18507 3791 1 7 . 1 1 76 76 HIS H H 76 7.758 7.758 8.092 -0.334 18507 3792 1 7 . 1 1 77 77 ASP N N 77 121.057 121.057 123.165 -2.108 18507 3793 1 7 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.229 -0.125 18507 3794 1 7 . 1 1 77 77 ASP CA C 77 50.464 50.464 51.863 -1.399 18507 3795 1 7 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.244 0.025 18507 3796 1 7 . 1 1 77 77 ASP H H 77 10.717 10.717 8.709 2.008 18507 3797 1 7 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.495 0.040 18507 3798 1 7 . 1 1 78 78 PRO C C 78 177.387 177.387 177.444 -0.057 18507 3799 1 7 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.508 -0.911 18507 3800 1 7 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.440 -0.114 18507 3801 1 7 . 1 1 79 79 SER N N 79 116.058 116.058 113.074 2.984 18507 3802 1 7 . 1 1 79 79 SER HA H 79 4.477 4.477 4.453 0.024 18507 3803 1 7 . 1 1 79 79 SER C C 79 173.819 173.819 175.029 -1.210 18507 3804 1 7 . 1 1 79 79 SER CA C 79 59.369 59.369 58.707 0.662 18507 3805 1 7 . 1 1 79 79 SER CB C 79 63.875 63.875 63.361 0.514 18507 3806 1 7 . 1 1 79 79 SER H H 79 8.853 8.853 8.142 0.711 18507 3807 1 7 . 1 1 80 80 GLU N N 80 122.620 122.620 120.664 1.956 18507 3808 1 7 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.673 0.286 18507 3809 1 7 . 1 1 80 80 GLU CA C 80 53.401 53.401 54.137 -0.736 18507 3810 1 7 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.221 0.399 18507 3811 1 7 . 1 1 80 80 GLU H H 80 7.332 7.332 7.468 -0.136 18507 3812 1 7 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.448 -0.009 18507 3813 1 7 . 1 1 81 81 PRO C C 81 177.020 177.020 175.674 1.346 18507 3814 1 7 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.103 0.593 18507 3815 1 7 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.221 -2.002 18507 3816 1 7 . 1 1 82 82 VAL N N 82 114.720 114.720 116.662 -1.942 18507 3817 1 7 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.898 0.569 18507 3818 1 7 . 1 1 82 82 VAL C C 82 175.787 175.787 174.935 0.852 18507 3819 1 7 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.658 -1.059 18507 3820 1 7 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.627 3.131 18507 3821 1 7 . 1 1 82 82 VAL H H 82 8.221 8.221 7.926 0.295 18507 3822 1 7 . 1 1 83 83 VAL N N 83 117.999 117.999 122.423 -4.424 18507 3823 1 7 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.447 -0.037 18507 3824 1 7 . 1 1 83 83 VAL C C 83 173.384 173.384 174.140 -0.756 18507 3825 1 7 . 1 1 83 83 VAL CA C 83 59.533 59.533 59.883 -0.350 18507 3826 1 7 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.283 -0.978 18507 3827 1 7 . 1 1 83 83 VAL H H 83 8.898 8.898 8.826 0.072 18507 3828 1 7 . 1 1 84 84 THR N N 84 120.469 120.469 123.300 -2.831 18507 3829 1 7 . 1 1 84 84 THR HA H 84 4.751 4.751 4.462 0.289 18507 3830 1 7 . 1 1 84 84 THR C C 84 174.975 174.975 174.205 0.770 18507 3831 1 7 . 1 1 84 84 THR CA C 84 61.446 61.446 62.591 -1.145 18507 3832 1 7 . 1 1 84 84 THR CB C 84 68.959 68.959 68.075 0.884 18507 3833 1 7 . 1 1 84 84 THR H H 84 8.309 8.309 8.325 -0.016 18507 3834 1 7 . 1 1 85 85 SER N N 85 123.544 123.544 121.935 1.609 18507 3835 1 7 . 1 1 85 85 SER HA H 85 4.533 4.533 4.227 0.306 18507 3836 1 7 . 1 1 85 85 SER CA C 85 57.027 57.027 57.756 -0.729 18507 3837 1 7 . 1 1 85 85 SER CB C 85 65.264 65.264 64.374 0.890 18507 3838 1 7 . 1 1 85 85 SER H H 85 9.137 9.137 8.363 0.774 18507 3839 1 7 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.176 -0.084 18507 3840 1 7 . 1 1 86 86 GLN C C 86 176.451 176.451 176.055 0.396 18507 3841 1 7 . 1 1 86 86 GLN CA C 86 58.070 58.070 57.957 0.113 18507 3842 1 7 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.334 -0.199 18507 3843 1 7 . 1 1 87 87 LEU N N 87 117.032 117.032 119.518 -2.486 18507 3844 1 7 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.462 -0.203 18507 3845 1 7 . 1 1 87 87 LEU C C 87 177.470 177.470 177.339 0.131 18507 3846 1 7 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.274 0.376 18507 3847 1 7 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.840 0.836 18507 3848 1 7 . 1 1 87 87 LEU H H 87 7.692 7.692 7.762 -0.070 18507 3849 1 7 . 1 1 88 88 GLY N N 88 107.770 107.770 108.606 -0.836 18507 3850 1 7 . 1 1 88 88 GLY C C 88 174.029 174.029 174.368 -0.339 18507 3851 1 7 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.743 -0.481 18507 3852 1 7 . 1 1 88 88 GLY H H 88 7.932 7.932 7.865 0.067 18507 3853 1 7 . 1 1 89 89 THR N N 89 112.596 112.596 113.850 -1.254 18507 3854 1 7 . 1 1 89 89 THR HA H 89 4.259 4.259 4.563 -0.304 18507 3855 1 7 . 1 1 89 89 THR C C 89 172.837 172.837 174.466 -1.629 18507 3856 1 7 . 1 1 89 89 THR CA C 89 60.743 60.743 60.254 0.489 18507 3857 1 7 . 1 1 89 89 THR CB C 89 69.845 69.845 69.652 0.193 18507 3858 1 7 . 1 1 89 89 THR H H 89 7.148 7.148 7.355 -0.207 18507 3859 1 7 . 1 1 90 90 ILE N N 90 123.927 123.927 127.766 -3.839 18507 3860 1 7 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.178 0.232 18507 3861 1 7 . 1 1 90 90 ILE C C 90 175.007 175.007 175.290 -0.283 18507 3862 1 7 . 1 1 90 90 ILE CA C 90 60.551 60.551 61.080 -0.529 18507 3863 1 7 . 1 1 90 90 ILE CB C 90 38.935 38.935 37.006 1.929 18507 3864 1 7 . 1 1 90 90 ILE H H 90 8.514 8.514 8.788 -0.274 18507 3865 1 7 . 1 1 91 91 ASN N N 91 123.450 123.450 121.752 1.698 18507 3866 1 7 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.896 0.391 18507 3867 1 7 . 1 1 91 91 ASN C C 91 175.916 175.916 173.481 2.435 18507 3868 1 7 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.928 -0.952 18507 3869 1 7 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.262 0.914 18507 3870 1 7 . 1 1 91 91 ASN H H 91 8.497 8.497 8.627 -0.130 18507 3871 1 7 . 1 1 92 92 ASN N N 92 115.675 115.675 117.146 -1.471 18507 3872 1 7 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.704 0.907 18507 3873 1 7 . 1 1 92 92 ASN C C 92 173.765 173.765 173.743 0.022 18507 3874 1 7 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.846 0.966 18507 3875 1 7 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.032 2.711 18507 3876 1 7 . 1 1 92 92 ASN H H 92 8.721 8.721 8.508 0.213 18507 3877 1 7 . 1 1 93 93 LEU N N 93 120.001 120.001 119.850 0.151 18507 3878 1 7 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.761 0.576 18507 3879 1 7 . 1 1 93 93 LEU C C 93 175.864 175.864 175.075 0.789 18507 3880 1 7 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.294 -0.772 18507 3881 1 7 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.519 1.604 18507 3882 1 7 . 1 1 93 93 LEU H H 93 7.661 7.661 7.714 -0.053 18507 3883 1 7 . 1 1 94 94 ILE N N 94 124.682 124.682 125.371 -0.689 18507 3884 1 7 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.674 0.173 18507 3885 1 7 . 1 1 94 94 ILE C C 94 172.078 172.078 173.351 -1.273 18507 3886 1 7 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.602 -1.251 18507 3887 1 7 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.751 -0.660 18507 3888 1 7 . 1 1 94 94 ILE H H 94 9.282 9.282 9.277 0.005 18507 3889 1 7 . 1 1 95 95 HIS N N 95 126.782 126.782 127.744 -0.962 18507 3890 1 7 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.052 0.058 18507 3891 1 7 . 1 1 95 95 HIS C C 95 174.655 174.655 173.741 0.914 18507 3892 1 7 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.846 -0.512 18507 3893 1 7 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.190 1.209 18507 3894 1 7 . 1 1 95 95 HIS H H 95 8.690 8.690 8.645 0.045 18507 3895 1 7 . 1 1 96 96 VAL N N 96 128.616 128.616 126.107 2.509 18507 3896 1 7 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.243 -0.128 18507 3897 1 7 . 1 1 96 96 VAL C C 96 175.515 175.515 175.242 0.273 18507 3898 1 7 . 1 1 96 96 VAL CA C 96 62.502 62.502 62.422 0.080 18507 3899 1 7 . 1 1 96 96 VAL CB C 96 32.332 32.332 32.809 -0.477 18507 3900 1 7 . 1 1 96 96 VAL H H 96 9.082 9.082 8.299 0.783 18507 3901 1 7 . 1 1 97 97 LYS N N 97 128.692 128.692 125.997 2.695 18507 3902 1 7 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.651 -0.101 18507 3903 1 7 . 1 1 97 97 LYS C C 97 176.019 176.019 175.281 0.738 18507 3904 1 7 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.385 0.706 18507 3905 1 7 . 1 1 97 97 LYS CB C 97 34.588 34.588 35.276 -0.688 18507 3906 1 7 . 1 1 97 97 LYS H H 97 8.708 8.708 8.339 0.369 18507 3907 1 7 . 1 1 98 98 LYS N N 98 122.635 122.635 120.503 2.132 18507 3908 1 7 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.452 -0.330 18507 3909 1 7 . 1 1 98 98 LYS C C 98 176.947 176.947 176.587 0.360 18507 3910 1 7 . 1 1 98 98 LYS CA C 98 57.232 57.232 56.241 0.991 18507 3911 1 7 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.193 -0.344 18507 3912 1 7 . 1 1 98 98 LYS H H 98 8.717 8.717 8.326 0.391 18507 3913 1 7 . 1 1 99 99 SER N N 99 116.737 116.737 115.017 1.720 18507 3914 1 7 . 1 1 99 99 SER HA H 99 4.357 4.357 4.695 -0.338 18507 3915 1 7 . 1 1 99 99 SER C C 99 174.335 174.335 174.014 0.321 18507 3916 1 7 . 1 1 99 99 SER CA C 99 58.240 58.240 57.877 0.363 18507 3917 1 7 . 1 1 99 99 SER CB C 99 63.664 63.664 63.547 0.117 18507 3918 1 7 . 1 1 99 99 SER H H 99 8.393 8.393 8.604 -0.211 18507 3919 1 7 . 1 1 100 100 ASP N N 100 122.287 122.287 120.675 1.612 18507 3920 1 7 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.699 -0.173 18507 3921 1 7 . 1 1 100 100 ASP C C 100 175.823 175.823 176.290 -0.467 18507 3922 1 7 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.422 0.391 18507 3923 1 7 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.164 -0.226 18507 3924 1 7 . 1 1 100 100 ASP H H 100 8.288 8.288 8.319 -0.031 18507 3925 1 7 . 1 1 101 101 PHE N N 101 118.668 118.668 119.278 -0.610 18507 3926 1 7 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.256 0.319 18507 3927 1 7 . 1 1 101 101 PHE C C 101 175.279 175.279 176.895 -1.616 18507 3928 1 7 . 1 1 101 101 PHE CA C 101 57.462 57.462 60.542 -3.080 18507 3929 1 7 . 1 1 101 101 PHE CB C 101 39.557 39.557 39.748 -0.191 18507 3930 1 7 . 1 1 101 101 PHE H H 101 7.923 7.923 7.889 0.034 18507 3931 1 7 . 1 1 102 102 GLU N N 102 122.081 122.081 117.917 4.164 18507 3932 1 7 . 1 1 102 102 GLU HA H 102 4.180 4.180 4.180 0.000 18507 3933 1 7 . 1 1 102 102 GLU C C 102 175.388 175.388 176.598 -1.210 18507 3934 1 7 . 1 1 102 102 GLU CA C 102 56.308 56.308 58.111 -1.803 18507 3935 1 7 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.863 0.723 18507 3936 1 7 . 1 1 102 102 GLU H H 102 8.138 8.138 8.573 -0.435 18507 3937 1 7 . 1 1 103 103 VAL N N 103 120.545 120.545 119.465 1.080 18507 3938 1 7 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.979 0.045 18507 3939 1 7 . 1 1 103 103 VAL C C 103 175.359 175.359 175.481 -0.122 18507 3940 1 7 . 1 1 103 103 VAL CA C 103 61.673 61.673 62.313 -0.640 18507 3941 1 7 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.558 0.540 18507 3942 1 7 . 1 1 103 103 VAL H H 103 7.934 7.934 7.701 0.233 18507 3943 1 7 . 1 1 104 104 PHE N N 104 124.359 124.359 122.875 1.484 18507 3944 1 7 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.629 0.066 18507 3945 1 7 . 1 1 104 104 PHE C C 104 174.530 174.530 175.391 -0.861 18507 3946 1 7 . 1 1 104 104 PHE CA C 104 57.140 57.140 57.672 -0.532 18507 3947 1 7 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.153 0.811 18507 3948 1 7 . 1 1 104 104 PHE H H 104 8.340 8.340 8.054 0.286 18507 3949 1 8 . 1 1 2 2 ALA N N 2 129.609 129.609 123.280 6.329 18507 3950 1 8 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.744 -0.408 18507 3951 1 8 . 1 1 2 2 ALA C C 2 177.730 177.730 176.183 1.547 18507 3952 1 8 . 1 1 2 2 ALA CA C 2 52.590 52.590 51.759 0.831 18507 3953 1 8 . 1 1 2 2 ALA CB C 2 19.509 19.509 20.158 -0.649 18507 3954 1 8 . 1 1 2 2 ALA H H 2 8.252 8.252 8.280 -0.028 18507 3955 1 8 . 1 1 3 3 MET N N 3 119.597 119.597 118.945 0.652 18507 3956 1 8 . 1 1 3 3 MET HA H 3 4.457 4.457 4.887 -0.430 18507 3957 1 8 . 1 1 3 3 MET C C 3 176.640 176.640 174.835 1.805 18507 3958 1 8 . 1 1 3 3 MET CA C 3 55.433 55.433 55.868 -0.435 18507 3959 1 8 . 1 1 3 3 MET CB C 3 32.141 32.141 33.702 -1.561 18507 3960 1 8 . 1 1 3 3 MET H H 3 8.526 8.526 8.308 0.218 18507 3961 1 8 . 1 1 4 4 GLY N N 4 110.104 110.104 111.602 -1.498 18507 3962 1 8 . 1 1 4 4 GLY C C 4 173.846 173.846 173.007 0.839 18507 3963 1 8 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.785 0.504 18507 3964 1 8 . 1 1 4 4 GLY H H 4 8.388 8.388 8.403 -0.015 18507 3965 1 8 . 1 1 5 5 ILE N N 5 120.177 120.177 123.036 -2.859 18507 3966 1 8 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.080 0.062 18507 3967 1 8 . 1 1 5 5 ILE C C 5 176.245 176.245 175.841 0.404 18507 3968 1 8 . 1 1 5 5 ILE CA C 5 60.706 60.706 61.534 -0.828 18507 3969 1 8 . 1 1 5 5 ILE CB C 5 38.686 38.686 37.441 1.245 18507 3970 1 8 . 1 1 5 5 ILE H H 5 7.995 7.995 8.351 -0.356 18507 3971 1 8 . 1 1 6 6 ARG N N 6 125.295 125.295 127.016 -1.721 18507 3972 1 8 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.570 -0.223 18507 3973 1 8 . 1 1 6 6 ARG C C 6 174.908 174.908 174.947 -0.039 18507 3974 1 8 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.399 0.413 18507 3975 1 8 . 1 1 6 6 ARG CB C 6 30.829 30.829 29.853 0.976 18507 3976 1 8 . 1 1 6 6 ARG H H 6 8.451 8.451 8.388 0.063 18507 3977 1 8 . 1 1 7 7 ASN N N 7 125.979 125.979 120.175 5.804 18507 3978 1 8 . 1 1 7 7 ASN HA H 7 4.483 4.483 5.093 -0.610 18507 3979 1 8 . 1 1 7 7 ASN C C 7 175.993 175.993 174.397 1.596 18507 3980 1 8 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.690 2.009 18507 3981 1 8 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.893 0.851 18507 3982 1 8 . 1 1 7 7 ASN H H 7 8.072 8.072 8.417 -0.345 18507 3983 1 8 . 1 1 8 8 SER N N 8 120.939 120.939 114.958 5.981 18507 3984 1 8 . 1 1 8 8 SER C C 8 174.402 174.402 174.127 0.275 18507 3985 1 8 . 1 1 8 8 SER CA C 8 58.678 58.678 57.656 1.022 18507 3986 1 8 . 1 1 8 8 SER CB C 8 63.735 63.735 65.841 -2.106 18507 3987 1 8 . 1 1 8 8 SER H H 8 8.363 8.363 8.558 -0.195 18507 3988 1 8 . 1 1 9 9 ASP N N 9 122.169 122.169 119.984 2.185 18507 3989 1 8 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.451 0.161 18507 3990 1 8 . 1 1 9 9 ASP C C 9 176.302 176.302 176.454 -0.152 18507 3991 1 8 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.792 -0.125 18507 3992 1 8 . 1 1 9 9 ASP CB C 9 41.092 41.092 40.818 0.274 18507 3993 1 8 . 1 1 9 9 ASP H H 9 8.334 8.334 8.632 -0.298 18507 3994 1 8 . 1 1 10 10 SER N N 10 115.330 115.330 116.301 -0.971 18507 3995 1 8 . 1 1 10 10 SER HA H 10 4.408 4.408 4.130 0.278 18507 3996 1 8 . 1 1 10 10 SER C C 10 174.338 174.338 173.768 0.570 18507 3997 1 8 . 1 1 10 10 SER CA C 10 58.421 58.421 59.080 -0.659 18507 3998 1 8 . 1 1 10 10 SER CB C 10 63.749 63.749 62.549 1.200 18507 3999 1 8 . 1 1 10 10 SER H H 10 8.130 8.130 8.625 -0.495 18507 4000 1 8 . 1 1 11 11 VAL N N 11 121.719 121.719 116.706 5.013 18507 4001 1 8 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.480 -0.392 18507 4002 1 8 . 1 1 11 11 VAL C C 11 175.837 175.837 174.277 1.560 18507 4003 1 8 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.010 0.962 18507 4004 1 8 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.415 -0.907 18507 4005 1 8 . 1 1 11 11 VAL H H 11 8.040 8.040 7.722 0.318 18507 4006 1 8 . 1 1 12 12 LYS N N 12 126.544 126.544 125.004 1.540 18507 4007 1 8 . 1 1 12 12 LYS H H 12 8.349 8.349 8.492 -0.143 18507 4008 1 8 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.365 0.094 18507 4009 1 8 . 1 1 13 13 PRO C C 13 177.038 177.038 176.750 0.288 18507 4010 1 8 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.408 -0.541 18507 4011 1 8 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.887 0.295 18507 4012 1 8 . 1 1 14 14 THR N N 14 114.515 114.515 112.071 2.444 18507 4013 1 8 . 1 1 14 14 THR HA H 14 4.255 4.255 4.288 -0.033 18507 4014 1 8 . 1 1 14 14 THR C C 14 174.477 174.477 174.368 0.109 18507 4015 1 8 . 1 1 14 14 THR CA C 14 61.813 61.813 62.668 -0.855 18507 4016 1 8 . 1 1 14 14 THR CB C 14 69.675 69.675 68.369 1.306 18507 4017 1 8 . 1 1 14 14 THR H H 14 8.234 8.234 7.954 0.280 18507 4018 1 8 . 1 1 15 15 GLN N N 15 122.586 122.586 123.887 -1.301 18507 4019 1 8 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.549 -0.203 18507 4020 1 8 . 1 1 15 15 GLN C C 15 175.452 175.452 174.573 0.879 18507 4021 1 8 . 1 1 15 15 GLN CA C 15 55.562 55.562 54.664 0.898 18507 4022 1 8 . 1 1 15 15 GLN CB C 15 29.535 29.535 31.481 -1.946 18507 4023 1 8 . 1 1 15 15 GLN H H 15 8.380 8.380 8.331 0.049 18507 4024 1 8 . 1 1 16 16 GLN N N 16 122.137 122.137 120.504 1.633 18507 4025 1 8 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.557 -0.297 18507 4026 1 8 . 1 1 16 16 GLN C C 16 175.050 175.050 174.115 0.935 18507 4027 1 8 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.355 0.187 18507 4028 1 8 . 1 1 16 16 GLN CB C 16 29.726 29.726 30.009 -0.283 18507 4029 1 8 . 1 1 16 16 GLN H H 16 8.457 8.457 8.543 -0.086 18507 4030 1 8 . 1 1 17 17 ALA N N 17 125.292 125.292 125.159 0.133 18507 4031 1 8 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.546 -0.235 18507 4032 1 8 . 1 1 17 17 ALA C C 17 176.628 176.628 175.838 0.790 18507 4033 1 8 . 1 1 17 17 ALA CA C 17 51.712 51.712 52.209 -0.497 18507 4034 1 8 . 1 1 17 17 ALA CB C 17 19.967 19.967 21.223 -1.256 18507 4035 1 8 . 1 1 17 17 ALA H H 17 8.323 8.323 8.440 -0.117 18507 4036 1 8 . 1 1 18 18 ARG N N 18 122.106 122.106 120.860 1.246 18507 4037 1 8 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.664 -0.043 18507 4038 1 8 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.896 -0.670 18507 4039 1 8 . 1 1 18 18 ARG CB C 18 30.775 30.775 31.081 -0.306 18507 4040 1 8 . 1 1 18 18 ARG H H 18 8.591 8.591 8.621 -0.030 18507 4041 1 8 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.562 0.022 18507 4042 1 8 . 1 1 19 19 PRO C C 19 176.098 176.098 176.372 -0.274 18507 4043 1 8 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.465 0.496 18507 4044 1 8 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.231 -0.086 18507 4045 1 8 . 1 1 20 20 THR N N 20 121.694 121.694 113.164 8.530 18507 4046 1 8 . 1 1 20 20 THR HA H 20 4.228 4.228 4.356 -0.128 18507 4047 1 8 . 1 1 20 20 THR C C 20 172.413 172.413 174.255 -1.842 18507 4048 1 8 . 1 1 20 20 THR CA C 20 62.891 62.891 60.191 2.700 18507 4049 1 8 . 1 1 20 20 THR CB C 20 71.036 71.036 70.037 0.999 18507 4050 1 8 . 1 1 20 20 THR H H 20 9.046 9.046 8.175 0.871 18507 4051 1 8 . 1 1 21 21 VAL N N 21 127.141 127.141 126.116 1.025 18507 4052 1 8 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.208 0.339 18507 4053 1 8 . 1 1 21 21 VAL C C 21 175.345 175.345 174.370 0.975 18507 4054 1 8 . 1 1 21 21 VAL CA C 21 61.780 61.780 61.359 0.421 18507 4055 1 8 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.271 0.988 18507 4056 1 8 . 1 1 21 21 VAL H H 21 8.572 8.572 8.428 0.144 18507 4057 1 8 . 1 1 22 22 ILE N N 22 130.341 130.341 126.302 4.039 18507 4058 1 8 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.538 -0.245 18507 4059 1 8 . 1 1 22 22 ILE C C 22 173.794 173.794 174.477 -0.683 18507 4060 1 8 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.461 -1.010 18507 4061 1 8 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.349 -2.685 18507 4062 1 8 . 1 1 22 22 ILE H H 22 8.913 8.913 8.066 0.847 18507 4063 1 8 . 1 1 23 23 ARG N N 23 125.596 125.596 127.366 -1.770 18507 4064 1 8 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.213 0.296 18507 4065 1 8 . 1 1 23 23 ARG C C 23 174.125 174.125 174.207 -0.082 18507 4066 1 8 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.435 -1.430 18507 4067 1 8 . 1 1 23 23 ARG CB C 23 34.584 34.584 34.210 0.374 18507 4068 1 8 . 1 1 23 23 ARG H H 23 8.595 8.595 8.852 -0.257 18507 4069 1 8 . 1 1 24 24 TRP N N 24 123.124 123.124 128.629 -5.505 18507 4070 1 8 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.931 -0.144 18507 4071 1 8 . 1 1 24 24 TRP C C 24 177.208 177.208 173.503 3.705 18507 4072 1 8 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.678 -0.704 18507 4073 1 8 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.718 -0.310 18507 4074 1 8 . 1 1 24 24 TRP H H 24 9.098 9.098 9.182 -0.084 18507 4075 1 8 . 1 1 25 25 SER N N 25 123.623 123.623 120.935 2.688 18507 4076 1 8 . 1 1 25 25 SER HA H 25 4.827 4.827 4.610 0.217 18507 4077 1 8 . 1 1 25 25 SER CA C 25 58.442 58.442 57.024 1.418 18507 4078 1 8 . 1 1 25 25 SER CB C 25 63.993 63.993 64.314 -0.321 18507 4079 1 8 . 1 1 25 25 SER H H 25 8.837 8.837 7.954 0.883 18507 4080 1 8 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.400 -0.259 18507 4081 1 8 . 1 1 26 26 GLU C C 26 175.915 175.915 176.338 -0.423 18507 4082 1 8 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.556 -1.292 18507 4083 1 8 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.374 -1.090 18507 4084 1 8 . 1 1 27 27 GLY N N 27 109.186 109.186 107.599 1.587 18507 4085 1 8 . 1 1 27 27 GLY C C 27 173.380 173.380 174.798 -1.418 18507 4086 1 8 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.172 -0.540 18507 4087 1 8 . 1 1 27 27 GLY H H 27 8.434 8.434 8.680 -0.246 18507 4088 1 8 . 1 1 28 28 GLY N N 28 106.478 106.478 108.322 -1.844 18507 4089 1 8 . 1 1 28 28 GLY C C 28 172.572 172.572 174.266 -1.694 18507 4090 1 8 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.339 -0.642 18507 4091 1 8 . 1 1 28 28 GLY H H 28 7.948 7.948 7.947 0.001 18507 4092 1 8 . 1 1 29 29 LYS N N 29 120.742 120.742 118.044 2.698 18507 4093 1 8 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.479 0.136 18507 4094 1 8 . 1 1 29 29 LYS C C 29 177.173 177.173 176.373 0.800 18507 4095 1 8 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.893 1.058 18507 4096 1 8 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.350 0.485 18507 4097 1 8 . 1 1 29 29 LYS H H 29 10.077 10.077 8.334 1.743 18507 4098 1 8 . 1 1 30 30 GLU N N 30 121.578 121.578 117.922 3.656 18507 4099 1 8 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.384 -0.187 18507 4100 1 8 . 1 1 30 30 GLU C C 30 173.541 173.541 173.385 0.156 18507 4101 1 8 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.511 0.469 18507 4102 1 8 . 1 1 30 30 GLU CB C 30 32.473 32.473 32.123 0.350 18507 4103 1 8 . 1 1 30 30 GLU H H 30 8.810 8.810 7.711 1.099 18507 4104 1 8 . 1 1 31 31 VAL N N 31 124.182 124.182 122.081 2.101 18507 4105 1 8 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.635 -0.095 18507 4106 1 8 . 1 1 31 31 VAL C C 31 173.552 173.552 174.008 -0.456 18507 4107 1 8 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.542 0.693 18507 4108 1 8 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.134 2.127 18507 4109 1 8 . 1 1 31 31 VAL H H 31 7.704 7.704 8.284 -0.580 18507 4110 1 8 . 1 1 32 32 PHE N N 32 123.930 123.930 124.934 -1.004 18507 4111 1 8 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.384 0.183 18507 4112 1 8 . 1 1 32 32 PHE C C 32 174.872 174.872 174.395 0.477 18507 4113 1 8 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.422 -1.438 18507 4114 1 8 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.924 0.425 18507 4115 1 8 . 1 1 32 32 PHE H H 32 8.856 8.856 8.211 0.645 18507 4116 1 8 . 1 1 33 33 ILE N N 33 116.493 116.493 121.404 -4.911 18507 4117 1 8 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.517 -0.037 18507 4118 1 8 . 1 1 33 33 ILE C C 33 174.067 174.067 174.182 -0.115 18507 4119 1 8 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.163 0.346 18507 4120 1 8 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.746 1.548 18507 4121 1 8 . 1 1 33 33 ILE H H 33 9.316 9.316 9.147 0.169 18507 4122 1 8 . 1 1 34 34 SER N N 34 116.962 116.962 121.522 -4.560 18507 4123 1 8 . 1 1 34 34 SER HA H 34 4.496 4.496 4.778 -0.282 18507 4124 1 8 . 1 1 34 34 SER C C 34 170.691 170.691 171.963 -1.272 18507 4125 1 8 . 1 1 34 34 SER CA C 34 57.343 57.343 57.121 0.222 18507 4126 1 8 . 1 1 34 34 SER CB C 34 67.249 67.249 65.227 2.022 18507 4127 1 8 . 1 1 34 34 SER H H 34 8.518 8.518 8.581 -0.063 18507 4128 1 8 . 1 1 35 35 GLY N N 35 106.806 106.806 109.421 -2.615 18507 4129 1 8 . 1 1 35 35 GLY C C 35 172.451 172.451 171.993 0.458 18507 4130 1 8 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.550 1.512 18507 4131 1 8 . 1 1 35 35 GLY H H 35 7.200 7.200 7.121 0.079 18507 4132 1 8 . 1 1 36 36 SER N N 36 115.550 115.550 116.404 -0.854 18507 4133 1 8 . 1 1 36 36 SER HA H 36 3.388 3.388 4.306 -0.918 18507 4134 1 8 . 1 1 36 36 SER C C 36 177.094 177.094 176.811 0.283 18507 4135 1 8 . 1 1 36 36 SER CA C 36 60.882 60.882 60.227 0.655 18507 4136 1 8 . 1 1 36 36 SER CB C 36 61.978 61.978 63.381 -1.403 18507 4137 1 8 . 1 1 36 36 SER H H 36 8.952 8.952 7.978 0.974 18507 4138 1 8 . 1 1 37 37 PHE N N 37 118.633 118.633 116.715 1.918 18507 4139 1 8 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.272 0.189 18507 4140 1 8 . 1 1 37 37 PHE C C 37 175.254 175.254 175.604 -0.350 18507 4141 1 8 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.390 -1.634 18507 4142 1 8 . 1 1 37 37 PHE CB C 37 37.763 37.763 38.042 -0.279 18507 4143 1 8 . 1 1 37 37 PHE H H 37 6.475 6.475 8.157 -1.682 18507 4144 1 8 . 1 1 38 38 ASN N N 38 119.885 119.885 116.025 3.860 18507 4145 1 8 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.664 0.276 18507 4146 1 8 . 1 1 38 38 ASN C C 38 175.954 175.954 174.986 0.968 18507 4147 1 8 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.734 -0.453 18507 4148 1 8 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.753 -2.552 18507 4149 1 8 . 1 1 38 38 ASN H H 38 6.610 6.610 6.935 -0.325 18507 4150 1 8 . 1 1 39 39 ASN N N 39 117.264 117.264 118.417 -1.153 18507 4151 1 8 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.472 -0.162 18507 4152 1 8 . 1 1 39 39 ASN C C 39 173.171 173.171 174.864 -1.693 18507 4153 1 8 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.480 0.308 18507 4154 1 8 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.163 -0.169 18507 4155 1 8 . 1 1 39 39 ASN H H 39 7.822 7.822 7.879 -0.057 18507 4156 1 8 . 1 1 40 40 TRP N N 40 113.463 113.463 114.308 -0.845 18507 4157 1 8 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.168 -0.167 18507 4158 1 8 . 1 1 40 40 TRP C C 40 177.457 177.457 176.376 1.081 18507 4159 1 8 . 1 1 40 40 TRP CA C 40 57.585 57.585 58.028 -0.443 18507 4160 1 8 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.402 -1.615 18507 4161 1 8 . 1 1 40 40 TRP H H 40 8.300 8.300 7.754 0.546 18507 4162 1 8 . 1 1 41 41 SER N N 41 113.321 113.321 114.052 -0.731 18507 4163 1 8 . 1 1 41 41 SER HA H 41 4.216 4.216 4.579 -0.363 18507 4164 1 8 . 1 1 41 41 SER C C 41 174.913 174.913 174.325 0.588 18507 4165 1 8 . 1 1 41 41 SER CA C 41 60.460 60.460 58.867 1.593 18507 4166 1 8 . 1 1 41 41 SER CB C 41 64.591 64.591 63.911 0.680 18507 4167 1 8 . 1 1 41 41 SER H H 41 7.549 7.549 8.340 -0.791 18507 4168 1 8 . 1 1 42 42 THR N N 42 112.097 112.097 114.460 -2.363 18507 4169 1 8 . 1 1 42 42 THR HA H 42 4.576 4.576 4.363 0.213 18507 4170 1 8 . 1 1 42 42 THR C C 42 174.798 174.798 172.135 2.663 18507 4171 1 8 . 1 1 42 42 THR CA C 42 59.920 59.920 61.704 -1.784 18507 4172 1 8 . 1 1 42 42 THR CB C 42 71.457 71.457 70.192 1.264 18507 4173 1 8 . 1 1 42 42 THR H H 42 7.088 7.088 7.775 -0.687 18507 4174 1 8 . 1 1 43 43 LYS N N 43 122.104 122.104 125.547 -3.443 18507 4175 1 8 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.722 -0.050 18507 4176 1 8 . 1 1 43 43 LYS C C 43 174.839 174.839 176.050 -1.211 18507 4177 1 8 . 1 1 43 43 LYS CA C 43 55.293 55.293 55.072 0.221 18507 4178 1 8 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.516 -0.178 18507 4179 1 8 . 1 1 43 43 LYS H H 43 8.466 8.466 8.300 0.166 18507 4180 1 8 . 1 1 44 44 ILE N N 44 128.655 128.655 126.523 2.132 18507 4181 1 8 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.560 0.068 18507 4182 1 8 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.276 0.296 18507 4183 1 8 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.666 1.438 18507 4184 1 8 . 1 1 44 44 ILE H H 44 9.596 9.596 9.146 0.450 18507 4185 1 8 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.366 -0.061 18507 4186 1 8 . 1 1 45 45 PRO C C 45 174.315 174.315 176.091 -1.776 18507 4187 1 8 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.544 0.187 18507 4188 1 8 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.345 -0.099 18507 4189 1 8 . 1 1 46 46 LEU N N 46 122.198 122.198 124.832 -2.634 18507 4190 1 8 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.531 -0.018 18507 4191 1 8 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.872 1.681 18507 4192 1 8 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.989 -0.179 18507 4193 1 8 . 1 1 46 46 LEU H H 46 8.157 8.157 7.532 0.625 18507 4194 1 8 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.859 0.491 18507 4195 1 8 . 1 1 47 47 ILE C C 47 175.903 175.903 175.885 0.018 18507 4196 1 8 . 1 1 47 47 ILE CA C 47 59.414 59.414 60.970 -1.556 18507 4197 1 8 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.432 2.964 18507 4198 1 8 . 1 1 48 48 LYS N N 48 128.033 128.033 129.076 -1.043 18507 4199 1 8 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.928 -0.022 18507 4200 1 8 . 1 1 48 48 LYS C C 48 176.252 176.252 175.627 0.625 18507 4201 1 8 . 1 1 48 48 LYS CA C 48 56.702 56.702 57.021 -0.319 18507 4202 1 8 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.573 0.023 18507 4203 1 8 . 1 1 48 48 LYS H H 48 8.661 8.661 8.323 0.338 18507 4204 1 8 . 1 1 49 49 SER N N 49 122.194 122.194 118.862 3.332 18507 4205 1 8 . 1 1 49 49 SER HA H 49 4.367 4.367 4.698 -0.331 18507 4206 1 8 . 1 1 49 49 SER CA C 49 56.282 56.282 55.972 0.310 18507 4207 1 8 . 1 1 49 49 SER CB C 49 62.849 62.849 65.359 -2.510 18507 4208 1 8 . 1 1 49 49 SER H H 49 8.638 8.638 8.109 0.529 18507 4209 1 8 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.304 -0.262 18507 4210 1 8 . 1 1 50 50 HIS CA C 50 57.984 57.984 57.879 0.105 18507 4211 1 8 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.772 -1.875 18507 4212 1 8 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.360 0.355 18507 4213 1 8 . 1 1 51 51 ASN C C 51 174.091 174.091 174.616 -0.525 18507 4214 1 8 . 1 1 51 51 ASN CA C 51 53.776 53.776 53.289 0.487 18507 4215 1 8 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.388 -0.254 18507 4216 1 8 . 1 1 52 52 ASP N N 52 119.149 119.149 114.219 4.930 18507 4217 1 8 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.512 0.450 18507 4218 1 8 . 1 1 52 52 ASP C C 52 174.069 174.069 174.120 -0.051 18507 4219 1 8 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.209 0.335 18507 4220 1 8 . 1 1 52 52 ASP CB C 52 43.556 43.556 41.990 1.565 18507 4221 1 8 . 1 1 52 52 ASP H H 52 8.031 8.031 7.451 0.580 18507 4222 1 8 . 1 1 53 53 PHE N N 53 118.169 118.169 117.536 0.633 18507 4223 1 8 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.772 0.378 18507 4224 1 8 . 1 1 53 53 PHE C C 53 175.583 175.583 175.723 -0.140 18507 4225 1 8 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.478 -1.106 18507 4226 1 8 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.636 1.255 18507 4227 1 8 . 1 1 53 53 PHE H H 53 8.534 8.534 8.767 -0.233 18507 4228 1 8 . 1 1 54 54 VAL N N 54 118.983 118.983 114.595 4.388 18507 4229 1 8 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.913 0.412 18507 4230 1 8 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.283 0.850 18507 4231 1 8 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.005 0.744 18507 4232 1 8 . 1 1 54 54 VAL H H 54 9.324 9.324 8.110 1.214 18507 4233 1 8 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.805 -0.098 18507 4234 1 8 . 1 1 55 55 ALA C C 55 174.786 174.786 175.523 -0.737 18507 4235 1 8 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.486 0.401 18507 4236 1 8 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.372 -0.684 18507 4237 1 8 . 1 1 56 56 ILE N N 56 120.457 120.457 120.723 -0.266 18507 4238 1 8 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.359 0.193 18507 4239 1 8 . 1 1 56 56 ILE C C 56 175.419 175.419 174.390 1.029 18507 4240 1 8 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.609 1.313 18507 4241 1 8 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.690 -0.199 18507 4242 1 8 . 1 1 56 56 ILE H H 56 8.239 8.239 8.351 -0.112 18507 4243 1 8 . 1 1 57 57 LEU N N 57 127.392 127.392 123.341 4.051 18507 4244 1 8 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.647 -0.141 18507 4245 1 8 . 1 1 57 57 LEU C C 57 175.108 175.108 175.185 -0.077 18507 4246 1 8 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.625 0.117 18507 4247 1 8 . 1 1 57 57 LEU CB C 57 45.170 45.170 45.798 -0.629 18507 4248 1 8 . 1 1 57 57 LEU H H 57 8.828 8.828 7.800 1.028 18507 4249 1 8 . 1 1 58 58 ASP N N 58 124.255 124.255 123.179 1.076 18507 4250 1 8 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.792 -0.164 18507 4251 1 8 . 1 1 58 58 ASP C C 58 175.066 175.066 175.800 -0.734 18507 4252 1 8 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.643 -1.702 18507 4253 1 8 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.440 -0.733 18507 4254 1 8 . 1 1 58 58 ASP H H 58 8.571 8.571 8.399 0.172 18507 4255 1 8 . 1 1 59 59 LEU N N 59 124.092 124.092 126.016 -1.924 18507 4256 1 8 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.816 -0.281 18507 4257 1 8 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.270 -0.397 18507 4258 1 8 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.224 -0.190 18507 4259 1 8 . 1 1 59 59 LEU H H 59 7.681 7.681 8.028 -0.347 18507 4260 1 8 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.496 0.105 18507 4261 1 8 . 1 1 60 60 PRO C C 60 175.599 175.599 176.097 -0.498 18507 4262 1 8 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.154 -0.672 18507 4263 1 8 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.579 0.089 18507 4264 1 8 . 1 1 61 61 GLU N N 61 119.164 119.164 122.509 -3.345 18507 4265 1 8 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.941 -0.082 18507 4266 1 8 . 1 1 61 61 GLU C C 61 176.121 176.121 175.664 0.457 18507 4267 1 8 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.851 -0.393 18507 4268 1 8 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.050 1.199 18507 4269 1 8 . 1 1 61 61 GLU H H 61 8.500 8.500 8.620 -0.120 18507 4270 1 8 . 1 1 62 62 GLY N N 62 111.529 111.529 114.815 -3.286 18507 4271 1 8 . 1 1 62 62 GLY C C 62 171.313 171.313 171.675 -0.362 18507 4272 1 8 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.240 -1.771 18507 4273 1 8 . 1 1 62 62 GLY H H 62 8.845 8.845 8.171 0.674 18507 4274 1 8 . 1 1 63 63 GLU N N 63 119.100 119.100 121.687 -2.587 18507 4275 1 8 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.582 0.200 18507 4276 1 8 . 1 1 63 63 GLU C C 63 175.530 175.530 174.494 1.036 18507 4277 1 8 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.720 0.258 18507 4278 1 8 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.106 -0.723 18507 4279 1 8 . 1 1 63 63 GLU H H 63 8.015 8.015 8.198 -0.183 18507 4280 1 8 . 1 1 64 64 HIS N N 64 121.786 121.786 121.402 0.384 18507 4281 1 8 . 1 1 64 64 HIS HA H 64 4.817 4.817 4.938 -0.121 18507 4282 1 8 . 1 1 64 64 HIS C C 64 174.358 174.358 173.104 1.254 18507 4283 1 8 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.178 0.792 18507 4284 1 8 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.462 0.647 18507 4285 1 8 . 1 1 64 64 HIS H H 64 8.830 8.830 9.073 -0.243 18507 4286 1 8 . 1 1 65 65 GLN N N 65 121.667 121.667 118.785 2.882 18507 4287 1 8 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.897 0.864 18507 4288 1 8 . 1 1 65 65 GLN C C 65 175.833 175.833 174.742 1.091 18507 4289 1 8 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.075 -1.242 18507 4290 1 8 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.390 0.875 18507 4291 1 8 . 1 1 65 65 GLN H H 65 8.637 8.637 8.900 -0.263 18507 4292 1 8 . 1 1 66 66 TYR N N 66 116.908 116.908 120.469 -3.561 18507 4293 1 8 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.347 -0.172 18507 4294 1 8 . 1 1 66 66 TYR C C 66 171.751 171.751 173.781 -2.030 18507 4295 1 8 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.766 2.217 18507 4296 1 8 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.771 -1.041 18507 4297 1 8 . 1 1 66 66 TYR H H 66 8.894 8.894 7.740 1.154 18507 4298 1 8 . 1 1 67 67 LYS N N 67 118.307 118.307 118.286 0.021 18507 4299 1 8 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.932 -0.299 18507 4300 1 8 . 1 1 67 67 LYS C C 67 173.317 173.317 175.069 -1.752 18507 4301 1 8 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.657 2.219 18507 4302 1 8 . 1 1 67 67 LYS CB C 67 37.200 37.200 37.026 0.174 18507 4303 1 8 . 1 1 67 67 LYS H H 67 8.927 8.927 8.632 0.295 18507 4304 1 8 . 1 1 68 68 PHE N N 68 118.691 118.691 122.378 -3.687 18507 4305 1 8 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.202 0.329 18507 4306 1 8 . 1 1 68 68 PHE C C 68 173.861 173.861 175.444 -1.583 18507 4307 1 8 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.575 0.373 18507 4308 1 8 . 1 1 68 68 PHE CB C 68 41.272 41.272 40.961 0.311 18507 4309 1 8 . 1 1 68 68 PHE H H 68 8.436 8.436 8.302 0.134 18507 4310 1 8 . 1 1 69 69 PHE N N 69 125.718 125.718 124.130 1.588 18507 4311 1 8 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.862 -0.139 18507 4312 1 8 . 1 1 69 69 PHE C C 69 174.574 174.574 173.219 1.355 18507 4313 1 8 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.455 -0.619 18507 4314 1 8 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.389 -0.233 18507 4315 1 8 . 1 1 69 69 PHE H H 69 9.000 9.000 8.717 0.283 18507 4316 1 8 . 1 1 70 70 VAL N N 70 126.808 126.808 125.547 1.261 18507 4317 1 8 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.690 -0.367 18507 4318 1 8 . 1 1 70 70 VAL C C 70 175.641 175.641 175.688 -0.047 18507 4319 1 8 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.093 1.415 18507 4320 1 8 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.474 -1.004 18507 4321 1 8 . 1 1 70 70 VAL H H 70 8.688 8.688 8.169 0.519 18507 4322 1 8 . 1 1 71 71 ASP N N 71 128.747 128.747 126.160 2.587 18507 4323 1 8 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.117 0.118 18507 4324 1 8 . 1 1 71 71 ASP C C 71 176.119 176.119 176.239 -0.120 18507 4325 1 8 . 1 1 71 71 ASP CA C 71 55.649 55.649 55.174 0.475 18507 4326 1 8 . 1 1 71 71 ASP CB C 71 39.629 39.629 38.877 0.752 18507 4327 1 8 . 1 1 71 71 ASP H H 71 8.890 8.890 9.096 -0.206 18507 4328 1 8 . 1 1 72 72 GLY N N 72 100.856 100.856 103.291 -2.435 18507 4329 1 8 . 1 1 72 72 GLY C C 72 173.149 173.149 173.243 -0.094 18507 4330 1 8 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.109 0.145 18507 4331 1 8 . 1 1 72 72 GLY H H 72 7.437 7.437 8.403 -0.966 18507 4332 1 8 . 1 1 73 73 GLN N N 73 117.716 117.716 114.774 2.942 18507 4333 1 8 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.447 0.033 18507 4334 1 8 . 1 1 73 73 GLN C C 73 173.981 173.981 173.267 0.714 18507 4335 1 8 . 1 1 73 73 GLN CA C 73 53.285 53.285 52.940 0.345 18507 4336 1 8 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.839 1.071 18507 4337 1 8 . 1 1 73 73 GLN H H 73 6.923 6.923 6.791 0.132 18507 4338 1 8 . 1 1 74 74 TRP N N 74 123.738 123.738 122.131 1.607 18507 4339 1 8 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.230 0.583 18507 4340 1 8 . 1 1 74 74 TRP C C 74 177.239 177.239 177.248 -0.009 18507 4341 1 8 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.331 -0.543 18507 4342 1 8 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.699 0.219 18507 4343 1 8 . 1 1 74 74 TRP H H 74 8.836 8.836 8.797 0.039 18507 4344 1 8 . 1 1 75 75 VAL N N 75 121.900 121.900 120.161 1.739 18507 4345 1 8 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.863 0.123 18507 4346 1 8 . 1 1 75 75 VAL C C 75 172.903 172.903 174.102 -1.199 18507 4347 1 8 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.409 1.216 18507 4348 1 8 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.474 1.180 18507 4349 1 8 . 1 1 75 75 VAL H H 75 10.049 10.049 8.676 1.373 18507 4350 1 8 . 1 1 76 76 HIS N N 76 119.400 119.400 115.084 4.316 18507 4351 1 8 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.204 0.374 18507 4352 1 8 . 1 1 76 76 HIS C C 76 173.084 173.084 173.438 -0.354 18507 4353 1 8 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.522 -0.262 18507 4354 1 8 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.569 0.238 18507 4355 1 8 . 1 1 76 76 HIS H H 76 7.758 7.758 8.106 -0.348 18507 4356 1 8 . 1 1 77 77 ASP N N 77 121.057 121.057 121.828 -0.771 18507 4357 1 8 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.287 -0.183 18507 4358 1 8 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.743 -0.279 18507 4359 1 8 . 1 1 77 77 ASP CB C 77 42.269 42.269 43.170 -0.901 18507 4360 1 8 . 1 1 77 77 ASP H H 77 10.717 10.717 9.015 1.702 18507 4361 1 8 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.637 -0.102 18507 4362 1 8 . 1 1 78 78 PRO C C 78 177.387 177.387 177.657 -0.270 18507 4363 1 8 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.273 -0.676 18507 4364 1 8 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.635 -0.309 18507 4365 1 8 . 1 1 79 79 SER N N 79 116.058 116.058 113.976 2.082 18507 4366 1 8 . 1 1 79 79 SER HA H 79 4.477 4.477 4.433 0.044 18507 4367 1 8 . 1 1 79 79 SER C C 79 173.819 173.819 174.767 -0.948 18507 4368 1 8 . 1 1 79 79 SER CA C 79 59.369 59.369 59.285 0.084 18507 4369 1 8 . 1 1 79 79 SER CB C 79 63.875 63.875 63.646 0.229 18507 4370 1 8 . 1 1 79 79 SER H H 79 8.853 8.853 8.142 0.711 18507 4371 1 8 . 1 1 80 80 GLU N N 80 122.620 122.620 120.626 1.994 18507 4372 1 8 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.675 0.284 18507 4373 1 8 . 1 1 80 80 GLU CA C 80 53.401 53.401 54.146 -0.745 18507 4374 1 8 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.248 0.372 18507 4375 1 8 . 1 1 80 80 GLU H H 80 7.332 7.332 7.440 -0.108 18507 4376 1 8 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.477 -0.038 18507 4377 1 8 . 1 1 81 81 PRO C C 81 177.020 177.020 175.469 1.551 18507 4378 1 8 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.148 0.548 18507 4379 1 8 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.099 -1.881 18507 4380 1 8 . 1 1 82 82 VAL N N 82 114.720 114.720 116.628 -1.908 18507 4381 1 8 . 1 1 82 82 VAL HA H 82 5.467 5.467 5.013 0.454 18507 4382 1 8 . 1 1 82 82 VAL C C 82 175.787 175.787 174.880 0.907 18507 4383 1 8 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.227 -0.629 18507 4384 1 8 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.798 2.960 18507 4385 1 8 . 1 1 82 82 VAL H H 82 8.221 8.221 7.942 0.279 18507 4386 1 8 . 1 1 83 83 VAL N N 83 117.999 117.999 122.685 -4.686 18507 4387 1 8 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.500 -0.090 18507 4388 1 8 . 1 1 83 83 VAL C C 83 173.384 173.384 174.451 -1.067 18507 4389 1 8 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.278 -0.745 18507 4390 1 8 . 1 1 83 83 VAL CB C 83 35.305 35.305 35.606 -0.301 18507 4391 1 8 . 1 1 83 83 VAL H H 83 8.898 8.898 8.915 -0.017 18507 4392 1 8 . 1 1 84 84 THR N N 84 120.469 120.469 123.201 -2.732 18507 4393 1 8 . 1 1 84 84 THR HA H 84 4.751 4.751 4.529 0.222 18507 4394 1 8 . 1 1 84 84 THR C C 84 174.975 174.975 174.068 0.907 18507 4395 1 8 . 1 1 84 84 THR CA C 84 61.446 61.446 62.585 -1.139 18507 4396 1 8 . 1 1 84 84 THR CB C 84 68.959 68.959 68.531 0.428 18507 4397 1 8 . 1 1 84 84 THR H H 84 8.309 8.309 8.353 -0.044 18507 4398 1 8 . 1 1 85 85 SER N N 85 123.544 123.544 122.289 1.255 18507 4399 1 8 . 1 1 85 85 SER HA H 85 4.533 4.533 4.344 0.189 18507 4400 1 8 . 1 1 85 85 SER CA C 85 57.027 57.027 57.645 -0.618 18507 4401 1 8 . 1 1 85 85 SER CB C 85 65.264 65.264 65.097 0.167 18507 4402 1 8 . 1 1 85 85 SER H H 85 9.137 9.137 8.486 0.651 18507 4403 1 8 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.135 -0.043 18507 4404 1 8 . 1 1 86 86 GLN C C 86 176.451 176.451 176.114 0.337 18507 4405 1 8 . 1 1 86 86 GLN CA C 86 58.070 58.070 57.957 0.113 18507 4406 1 8 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.331 -0.196 18507 4407 1 8 . 1 1 87 87 LEU N N 87 117.032 117.032 118.897 -1.865 18507 4408 1 8 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.440 -0.181 18507 4409 1 8 . 1 1 87 87 LEU C C 87 177.470 177.470 177.679 -0.209 18507 4410 1 8 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.250 0.400 18507 4411 1 8 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.775 0.901 18507 4412 1 8 . 1 1 87 87 LEU H H 87 7.692 7.692 7.813 -0.121 18507 4413 1 8 . 1 1 88 88 GLY N N 88 107.770 107.770 108.388 -0.618 18507 4414 1 8 . 1 1 88 88 GLY C C 88 174.029 174.029 174.204 -0.175 18507 4415 1 8 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.583 -0.321 18507 4416 1 8 . 1 1 88 88 GLY H H 88 7.932 7.932 8.125 -0.193 18507 4417 1 8 . 1 1 89 89 THR N N 89 112.596 112.596 113.480 -0.884 18507 4418 1 8 . 1 1 89 89 THR HA H 89 4.259 4.259 4.636 -0.377 18507 4419 1 8 . 1 1 89 89 THR C C 89 172.837 172.837 174.123 -1.286 18507 4420 1 8 . 1 1 89 89 THR CA C 89 60.743 60.743 59.864 0.879 18507 4421 1 8 . 1 1 89 89 THR CB C 89 69.845 69.845 70.418 -0.573 18507 4422 1 8 . 1 1 89 89 THR H H 89 7.148 7.148 7.321 -0.173 18507 4423 1 8 . 1 1 90 90 ILE N N 90 123.927 123.927 126.895 -2.968 18507 4424 1 8 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.267 0.143 18507 4425 1 8 . 1 1 90 90 ILE C C 90 175.007 175.007 175.055 -0.048 18507 4426 1 8 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.554 -0.003 18507 4427 1 8 . 1 1 90 90 ILE CB C 90 38.935 38.935 37.056 1.879 18507 4428 1 8 . 1 1 90 90 ILE H H 90 8.514 8.514 8.766 -0.252 18507 4429 1 8 . 1 1 91 91 ASN N N 91 123.450 123.450 122.461 0.989 18507 4430 1 8 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.912 0.375 18507 4431 1 8 . 1 1 91 91 ASN C C 91 175.916 175.916 173.578 2.338 18507 4432 1 8 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.637 -0.661 18507 4433 1 8 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.381 0.795 18507 4434 1 8 . 1 1 91 91 ASN H H 91 8.497 8.497 8.705 -0.208 18507 4435 1 8 . 1 1 92 92 ASN N N 92 115.675 115.675 118.165 -2.490 18507 4436 1 8 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.806 0.805 18507 4437 1 8 . 1 1 92 92 ASN C C 92 173.765 173.765 174.481 -0.716 18507 4438 1 8 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.639 1.173 18507 4439 1 8 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.047 2.696 18507 4440 1 8 . 1 1 92 92 ASN H H 92 8.721 8.721 8.330 0.391 18507 4441 1 8 . 1 1 93 93 LEU N N 93 120.001 120.001 121.052 -1.051 18507 4442 1 8 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.628 0.709 18507 4443 1 8 . 1 1 93 93 LEU C C 93 175.864 175.864 174.971 0.893 18507 4444 1 8 . 1 1 93 93 LEU CA C 93 53.522 53.522 53.902 -0.380 18507 4445 1 8 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.219 1.904 18507 4446 1 8 . 1 1 93 93 LEU H H 93 7.661 7.661 8.104 -0.443 18507 4447 1 8 . 1 1 94 94 ILE N N 94 124.682 124.682 124.785 -0.103 18507 4448 1 8 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.623 0.224 18507 4449 1 8 . 1 1 94 94 ILE C C 94 172.078 172.078 173.165 -1.087 18507 4450 1 8 . 1 1 94 94 ILE CA C 94 59.351 59.351 59.688 -0.337 18507 4451 1 8 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.556 -0.465 18507 4452 1 8 . 1 1 94 94 ILE H H 94 9.282 9.282 9.274 0.008 18507 4453 1 8 . 1 1 95 95 HIS N N 95 126.782 126.782 125.879 0.903 18507 4454 1 8 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.105 0.005 18507 4455 1 8 . 1 1 95 95 HIS C C 95 174.655 174.655 174.349 0.306 18507 4456 1 8 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.392 -0.058 18507 4457 1 8 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.319 1.080 18507 4458 1 8 . 1 1 95 95 HIS H H 95 8.690 8.690 8.709 -0.019 18507 4459 1 8 . 1 1 96 96 VAL N N 96 128.616 128.616 123.954 4.662 18507 4460 1 8 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.222 -0.107 18507 4461 1 8 . 1 1 96 96 VAL C C 96 175.515 175.515 175.441 0.074 18507 4462 1 8 . 1 1 96 96 VAL CA C 96 62.502 62.502 62.281 0.221 18507 4463 1 8 . 1 1 96 96 VAL CB C 96 32.332 32.332 32.760 -0.428 18507 4464 1 8 . 1 1 96 96 VAL H H 96 9.082 9.082 8.393 0.689 18507 4465 1 8 . 1 1 97 97 LYS N N 97 128.692 128.692 125.830 2.862 18507 4466 1 8 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.602 -0.052 18507 4467 1 8 . 1 1 97 97 LYS C C 97 176.019 176.019 175.773 0.246 18507 4468 1 8 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.136 0.955 18507 4469 1 8 . 1 1 97 97 LYS CB C 97 34.588 34.588 34.815 -0.227 18507 4470 1 8 . 1 1 97 97 LYS H H 97 8.708 8.708 8.460 0.248 18507 4471 1 8 . 1 1 98 98 LYS N N 98 122.635 122.635 119.148 3.487 18507 4472 1 8 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.610 -0.488 18507 4473 1 8 . 1 1 98 98 LYS C C 98 176.947 176.947 176.031 0.916 18507 4474 1 8 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.266 1.966 18507 4475 1 8 . 1 1 98 98 LYS CB C 98 32.849 32.849 34.245 -1.396 18507 4476 1 8 . 1 1 98 98 LYS H H 98 8.717 8.717 8.355 0.362 18507 4477 1 8 . 1 1 99 99 SER N N 99 116.737 116.737 115.052 1.685 18507 4478 1 8 . 1 1 99 99 SER HA H 99 4.357 4.357 4.466 -0.109 18507 4479 1 8 . 1 1 99 99 SER C C 99 174.335 174.335 173.627 0.708 18507 4480 1 8 . 1 1 99 99 SER CA C 99 58.240 58.240 58.286 -0.046 18507 4481 1 8 . 1 1 99 99 SER CB C 99 63.664 63.664 63.451 0.213 18507 4482 1 8 . 1 1 99 99 SER H H 99 8.393 8.393 8.665 -0.272 18507 4483 1 8 . 1 1 100 100 ASP N N 100 122.287 122.287 119.797 2.490 18507 4484 1 8 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.632 -0.106 18507 4485 1 8 . 1 1 100 100 ASP C C 100 175.823 175.823 177.620 -1.797 18507 4486 1 8 . 1 1 100 100 ASP CA C 100 54.813 54.813 55.063 -0.250 18507 4487 1 8 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.076 -0.138 18507 4488 1 8 . 1 1 100 100 ASP H H 100 8.288 8.288 8.289 -0.001 18507 4489 1 8 . 1 1 101 101 PHE N N 101 118.668 118.668 117.757 0.911 18507 4490 1 8 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.452 0.123 18507 4491 1 8 . 1 1 101 101 PHE C C 101 175.279 175.279 176.581 -1.302 18507 4492 1 8 . 1 1 101 101 PHE CA C 101 57.462 57.462 59.195 -1.733 18507 4493 1 8 . 1 1 101 101 PHE CB C 101 39.557 39.557 38.716 0.841 18507 4494 1 8 . 1 1 101 101 PHE H H 101 7.923 7.923 8.003 -0.080 18507 4495 1 8 . 1 1 102 102 GLU N N 102 122.081 122.081 118.612 3.469 18507 4496 1 8 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.585 0.595 18507 4497 1 8 . 1 1 102 102 GLU C C 102 175.388 175.388 176.616 -1.228 18507 4498 1 8 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.520 -1.212 18507 4499 1 8 . 1 1 102 102 GLU CB C 102 30.585 30.585 28.943 1.642 18507 4500 1 8 . 1 1 102 102 GLU H H 102 8.138 8.138 7.536 0.602 18507 4501 1 8 . 1 1 103 103 VAL N N 103 120.545 120.545 119.017 1.528 18507 4502 1 8 . 1 1 103 103 VAL HA H 103 4.024 4.024 4.162 -0.138 18507 4503 1 8 . 1 1 103 103 VAL C C 103 175.359 175.359 175.131 0.228 18507 4504 1 8 . 1 1 103 103 VAL CA C 103 61.673 61.673 60.818 0.855 18507 4505 1 8 . 1 1 103 103 VAL CB C 103 33.098 33.098 33.255 -0.158 18507 4506 1 8 . 1 1 103 103 VAL H H 103 7.934 7.934 7.232 0.702 18507 4507 1 8 . 1 1 104 104 PHE N N 104 124.359 124.359 124.571 -0.212 18507 4508 1 8 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.683 0.012 18507 4509 1 8 . 1 1 104 104 PHE C C 104 174.530 174.530 175.363 -0.833 18507 4510 1 8 . 1 1 104 104 PHE CA C 104 57.140 57.140 58.167 -1.028 18507 4511 1 8 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.018 0.946 18507 4512 1 8 . 1 1 104 104 PHE H H 104 8.340 8.340 8.331 0.009 18507 4513 1 9 . 1 1 2 2 ALA N N 2 129.609 129.609 123.983 5.626 18507 4514 1 9 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.695 -0.359 18507 4515 1 9 . 1 1 2 2 ALA C C 2 177.730 177.730 177.755 -0.025 18507 4516 1 9 . 1 1 2 2 ALA CA C 2 52.590 52.590 51.441 1.149 18507 4517 1 9 . 1 1 2 2 ALA CB C 2 19.509 19.509 19.669 -0.160 18507 4518 1 9 . 1 1 2 2 ALA H H 2 8.252 8.252 7.940 0.312 18507 4519 1 9 . 1 1 3 3 MET N N 3 119.597 119.597 117.086 2.511 18507 4520 1 9 . 1 1 3 3 MET HA H 3 4.457 4.457 4.475 -0.018 18507 4521 1 9 . 1 1 3 3 MET C C 3 176.640 176.640 176.338 0.302 18507 4522 1 9 . 1 1 3 3 MET CA C 3 55.433 55.433 56.732 -1.299 18507 4523 1 9 . 1 1 3 3 MET CB C 3 32.141 32.141 32.446 -0.305 18507 4524 1 9 . 1 1 3 3 MET H H 3 8.526 8.526 8.119 0.407 18507 4525 1 9 . 1 1 4 4 GLY N N 4 110.104 110.104 108.746 1.358 18507 4526 1 9 . 1 1 4 4 GLY C C 4 173.846 173.846 174.729 -0.883 18507 4527 1 9 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.773 0.517 18507 4528 1 9 . 1 1 4 4 GLY H H 4 8.388 8.388 8.636 -0.248 18507 4529 1 9 . 1 1 5 5 ILE N N 5 120.177 120.177 121.504 -1.327 18507 4530 1 9 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.054 0.088 18507 4531 1 9 . 1 1 5 5 ILE C C 5 176.245 176.245 176.262 -0.017 18507 4532 1 9 . 1 1 5 5 ILE CA C 5 60.706 60.706 61.772 -1.065 18507 4533 1 9 . 1 1 5 5 ILE CB C 5 38.686 38.686 38.361 0.325 18507 4534 1 9 . 1 1 5 5 ILE H H 5 7.995 7.995 8.374 -0.379 18507 4535 1 9 . 1 1 6 6 ARG N N 6 125.295 125.295 120.718 4.577 18507 4536 1 9 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.476 -0.129 18507 4537 1 9 . 1 1 6 6 ARG C C 6 174.908 174.908 175.772 -0.864 18507 4538 1 9 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.947 -0.135 18507 4539 1 9 . 1 1 6 6 ARG CB C 6 30.829 30.829 28.908 1.921 18507 4540 1 9 . 1 1 6 6 ARG H H 6 8.451 8.451 8.034 0.417 18507 4541 1 9 . 1 1 7 7 ASN N N 7 125.979 125.979 120.506 5.473 18507 4542 1 9 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.701 -0.218 18507 4543 1 9 . 1 1 7 7 ASN C C 7 175.993 175.993 175.053 0.940 18507 4544 1 9 . 1 1 7 7 ASN CA C 7 54.699 54.699 53.870 0.829 18507 4545 1 9 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.497 1.247 18507 4546 1 9 . 1 1 7 7 ASN H H 7 8.072 8.072 8.607 -0.535 18507 4547 1 9 . 1 1 8 8 SER N N 8 120.939 120.939 114.574 6.365 18507 4548 1 9 . 1 1 8 8 SER C C 8 174.402 174.402 174.536 -0.134 18507 4549 1 9 . 1 1 8 8 SER CA C 8 58.678 58.678 57.645 1.033 18507 4550 1 9 . 1 1 8 8 SER CB C 8 63.735 63.735 64.025 -0.290 18507 4551 1 9 . 1 1 8 8 SER H H 8 8.363 8.363 8.030 0.333 18507 4552 1 9 . 1 1 9 9 ASP N N 9 122.169 122.169 124.726 -2.557 18507 4553 1 9 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.586 0.026 18507 4554 1 9 . 1 1 9 9 ASP C C 9 176.302 176.302 177.255 -0.953 18507 4555 1 9 . 1 1 9 9 ASP CA C 9 54.667 54.667 55.353 -0.687 18507 4556 1 9 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.121 -0.029 18507 4557 1 9 . 1 1 9 9 ASP H H 9 8.334 8.334 8.755 -0.421 18507 4558 1 9 . 1 1 10 10 SER N N 10 115.330 115.330 117.299 -1.969 18507 4559 1 9 . 1 1 10 10 SER HA H 10 4.408 4.408 4.703 -0.295 18507 4560 1 9 . 1 1 10 10 SER C C 10 174.338 174.338 174.424 -0.086 18507 4561 1 9 . 1 1 10 10 SER CA C 10 58.421 58.421 57.338 1.083 18507 4562 1 9 . 1 1 10 10 SER CB C 10 63.749 63.749 62.907 0.842 18507 4563 1 9 . 1 1 10 10 SER H H 10 8.130 8.130 7.959 0.171 18507 4564 1 9 . 1 1 11 11 VAL N N 11 121.719 121.719 120.842 0.877 18507 4565 1 9 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.514 -0.426 18507 4566 1 9 . 1 1 11 11 VAL C C 11 175.837 175.837 174.876 0.961 18507 4567 1 9 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.040 0.932 18507 4568 1 9 . 1 1 11 11 VAL CB C 11 32.508 32.508 30.099 2.409 18507 4569 1 9 . 1 1 11 11 VAL H H 11 8.040 8.040 8.101 -0.061 18507 4570 1 9 . 1 1 12 12 LYS N N 12 126.544 126.544 124.897 1.647 18507 4571 1 9 . 1 1 12 12 LYS H H 12 8.349 8.349 7.845 0.504 18507 4572 1 9 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.325 0.134 18507 4573 1 9 . 1 1 13 13 PRO C C 13 177.038 177.038 176.782 0.256 18507 4574 1 9 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.747 -0.879 18507 4575 1 9 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.950 0.232 18507 4576 1 9 . 1 1 14 14 THR N N 14 114.515 114.515 115.335 -0.820 18507 4577 1 9 . 1 1 14 14 THR HA H 14 4.255 4.255 4.561 -0.306 18507 4578 1 9 . 1 1 14 14 THR C C 14 174.477 174.477 173.485 0.992 18507 4579 1 9 . 1 1 14 14 THR CA C 14 61.813 61.813 61.896 -0.083 18507 4580 1 9 . 1 1 14 14 THR CB C 14 69.675 69.675 70.341 -0.666 18507 4581 1 9 . 1 1 14 14 THR H H 14 8.234 8.234 7.747 0.487 18507 4582 1 9 . 1 1 15 15 GLN N N 15 122.586 122.586 122.854 -0.268 18507 4583 1 9 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.421 -0.075 18507 4584 1 9 . 1 1 15 15 GLN C C 15 175.452 175.452 174.451 1.001 18507 4585 1 9 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.149 -0.587 18507 4586 1 9 . 1 1 15 15 GLN CB C 15 29.535 29.535 30.481 -0.946 18507 4587 1 9 . 1 1 15 15 GLN H H 15 8.380 8.380 8.504 -0.124 18507 4588 1 9 . 1 1 16 16 GLN N N 16 122.137 122.137 124.792 -2.655 18507 4589 1 9 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.791 -0.531 18507 4590 1 9 . 1 1 16 16 GLN C C 16 175.050 175.050 173.875 1.175 18507 4591 1 9 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.214 0.328 18507 4592 1 9 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.964 -0.238 18507 4593 1 9 . 1 1 16 16 GLN H H 16 8.457 8.457 8.590 -0.133 18507 4594 1 9 . 1 1 17 17 ALA N N 17 125.292 125.292 123.868 1.424 18507 4595 1 9 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.502 -0.191 18507 4596 1 9 . 1 1 17 17 ALA C C 17 176.628 176.628 175.886 0.742 18507 4597 1 9 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.997 -0.285 18507 4598 1 9 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.866 -0.899 18507 4599 1 9 . 1 1 17 17 ALA H H 17 8.323 8.323 8.398 -0.075 18507 4600 1 9 . 1 1 18 18 ARG N N 18 122.106 122.106 120.926 1.180 18507 4601 1 9 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.700 -0.079 18507 4602 1 9 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.974 -0.748 18507 4603 1 9 . 1 1 18 18 ARG CB C 18 30.775 30.775 31.023 -0.248 18507 4604 1 9 . 1 1 18 18 ARG H H 18 8.591 8.591 8.584 0.007 18507 4605 1 9 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.484 0.100 18507 4606 1 9 . 1 1 19 19 PRO C C 19 176.098 176.098 176.282 -0.184 18507 4607 1 9 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.490 0.471 18507 4608 1 9 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.257 -0.112 18507 4609 1 9 . 1 1 20 20 THR N N 20 121.694 121.694 113.413 8.281 18507 4610 1 9 . 1 1 20 20 THR HA H 20 4.228 4.228 4.363 -0.135 18507 4611 1 9 . 1 1 20 20 THR C C 20 172.413 172.413 174.377 -1.964 18507 4612 1 9 . 1 1 20 20 THR CA C 20 62.891 62.891 60.102 2.789 18507 4613 1 9 . 1 1 20 20 THR CB C 20 71.036 71.036 70.111 0.925 18507 4614 1 9 . 1 1 20 20 THR H H 20 9.046 9.046 8.182 0.864 18507 4615 1 9 . 1 1 21 21 VAL N N 21 127.141 127.141 125.025 2.116 18507 4616 1 9 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.173 0.374 18507 4617 1 9 . 1 1 21 21 VAL C C 21 175.345 175.345 174.627 0.718 18507 4618 1 9 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.301 -0.521 18507 4619 1 9 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.439 0.820 18507 4620 1 9 . 1 1 21 21 VAL H H 21 8.572 8.572 8.300 0.272 18507 4621 1 9 . 1 1 22 22 ILE N N 22 130.341 130.341 127.363 2.978 18507 4622 1 9 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.595 -0.302 18507 4623 1 9 . 1 1 22 22 ILE C C 22 173.794 173.794 174.522 -0.728 18507 4624 1 9 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.566 -1.115 18507 4625 1 9 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.548 -2.884 18507 4626 1 9 . 1 1 22 22 ILE H H 22 8.913 8.913 8.084 0.829 18507 4627 1 9 . 1 1 23 23 ARG N N 23 125.596 125.596 125.941 -0.345 18507 4628 1 9 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.055 0.454 18507 4629 1 9 . 1 1 23 23 ARG C C 23 174.125 174.125 174.508 -0.383 18507 4630 1 9 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.597 -1.592 18507 4631 1 9 . 1 1 23 23 ARG CB C 23 34.584 34.584 33.656 0.928 18507 4632 1 9 . 1 1 23 23 ARG H H 23 8.595 8.595 8.761 -0.166 18507 4633 1 9 . 1 1 24 24 TRP N N 24 123.124 123.124 128.176 -5.052 18507 4634 1 9 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.928 -0.141 18507 4635 1 9 . 1 1 24 24 TRP C C 24 177.208 177.208 173.678 3.530 18507 4636 1 9 . 1 1 24 24 TRP CA C 24 55.974 55.974 55.860 0.114 18507 4637 1 9 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.940 -0.533 18507 4638 1 9 . 1 1 24 24 TRP H H 24 9.098 9.098 9.302 -0.204 18507 4639 1 9 . 1 1 25 25 SER N N 25 123.623 123.623 119.990 3.633 18507 4640 1 9 . 1 1 25 25 SER HA H 25 4.827 4.827 4.609 0.218 18507 4641 1 9 . 1 1 25 25 SER CA C 25 58.442 58.442 56.953 1.489 18507 4642 1 9 . 1 1 25 25 SER CB C 25 63.993 63.993 64.804 -0.811 18507 4643 1 9 . 1 1 25 25 SER H H 25 8.837 8.837 7.817 1.020 18507 4644 1 9 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.460 -0.319 18507 4645 1 9 . 1 1 26 26 GLU C C 26 175.915 175.915 176.269 -0.354 18507 4646 1 9 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.460 -1.196 18507 4647 1 9 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.412 -1.128 18507 4648 1 9 . 1 1 27 27 GLY N N 27 109.186 109.186 108.713 0.473 18507 4649 1 9 . 1 1 27 27 GLY C C 27 173.380 173.380 174.314 -0.934 18507 4650 1 9 . 1 1 27 27 GLY CA C 27 44.632 44.632 44.808 -0.176 18507 4651 1 9 . 1 1 27 27 GLY H H 27 8.434 8.434 8.287 0.147 18507 4652 1 9 . 1 1 28 28 GLY N N 28 106.478 106.478 107.839 -1.361 18507 4653 1 9 . 1 1 28 28 GLY C C 28 172.572 172.572 174.378 -1.806 18507 4654 1 9 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.404 -0.707 18507 4655 1 9 . 1 1 28 28 GLY H H 28 7.948 7.948 7.787 0.161 18507 4656 1 9 . 1 1 29 29 LYS N N 29 120.742 120.742 118.809 1.933 18507 4657 1 9 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.393 0.222 18507 4658 1 9 . 1 1 29 29 LYS C C 29 177.173 177.173 176.207 0.966 18507 4659 1 9 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.813 1.138 18507 4660 1 9 . 1 1 29 29 LYS CB C 29 33.835 33.835 32.999 0.836 18507 4661 1 9 . 1 1 29 29 LYS H H 29 10.077 10.077 8.179 1.898 18507 4662 1 9 . 1 1 30 30 GLU N N 30 121.578 121.578 118.207 3.371 18507 4663 1 9 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.417 -0.220 18507 4664 1 9 . 1 1 30 30 GLU C C 30 173.541 173.541 173.511 0.030 18507 4665 1 9 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.460 0.520 18507 4666 1 9 . 1 1 30 30 GLU CB C 30 32.473 32.473 32.078 0.395 18507 4667 1 9 . 1 1 30 30 GLU H H 30 8.810 8.810 7.736 1.074 18507 4668 1 9 . 1 1 31 31 VAL N N 31 124.182 124.182 121.973 2.209 18507 4669 1 9 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.845 -0.305 18507 4670 1 9 . 1 1 31 31 VAL C C 31 173.552 173.552 174.245 -0.693 18507 4671 1 9 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.303 0.932 18507 4672 1 9 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.461 1.800 18507 4673 1 9 . 1 1 31 31 VAL H H 31 7.704 7.704 8.324 -0.620 18507 4674 1 9 . 1 1 32 32 PHE N N 32 123.930 123.930 124.016 -0.086 18507 4675 1 9 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.344 0.223 18507 4676 1 9 . 1 1 32 32 PHE C C 32 174.872 174.872 174.267 0.605 18507 4677 1 9 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.615 -1.630 18507 4678 1 9 . 1 1 32 32 PHE CB C 32 44.349 44.349 44.042 0.307 18507 4679 1 9 . 1 1 32 32 PHE H H 32 8.856 8.856 8.197 0.659 18507 4680 1 9 . 1 1 33 33 ILE N N 33 116.493 116.493 121.162 -4.669 18507 4681 1 9 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.541 -0.061 18507 4682 1 9 . 1 1 33 33 ILE C C 33 174.067 174.067 174.064 0.003 18507 4683 1 9 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.152 0.357 18507 4684 1 9 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.950 1.344 18507 4685 1 9 . 1 1 33 33 ILE H H 33 9.316 9.316 9.272 0.044 18507 4686 1 9 . 1 1 34 34 SER N N 34 116.962 116.962 121.222 -4.260 18507 4687 1 9 . 1 1 34 34 SER HA H 34 4.496 4.496 4.800 -0.304 18507 4688 1 9 . 1 1 34 34 SER C C 34 170.691 170.691 171.993 -1.302 18507 4689 1 9 . 1 1 34 34 SER CA C 34 57.343 57.343 57.377 -0.034 18507 4690 1 9 . 1 1 34 34 SER CB C 34 67.249 67.249 65.484 1.765 18507 4691 1 9 . 1 1 34 34 SER H H 34 8.518 8.518 8.570 -0.052 18507 4692 1 9 . 1 1 35 35 GLY N N 35 106.806 106.806 109.400 -2.594 18507 4693 1 9 . 1 1 35 35 GLY C C 35 172.451 172.451 172.021 0.430 18507 4694 1 9 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.380 1.681 18507 4695 1 9 . 1 1 35 35 GLY H H 35 7.200 7.200 7.063 0.137 18507 4696 1 9 . 1 1 36 36 SER N N 36 115.550 115.550 116.679 -1.129 18507 4697 1 9 . 1 1 36 36 SER HA H 36 3.388 3.388 4.365 -0.977 18507 4698 1 9 . 1 1 36 36 SER C C 36 177.094 177.094 176.880 0.214 18507 4699 1 9 . 1 1 36 36 SER CA C 36 60.882 60.882 60.383 0.499 18507 4700 1 9 . 1 1 36 36 SER CB C 36 61.978 61.978 63.399 -1.421 18507 4701 1 9 . 1 1 36 36 SER H H 36 8.952 8.952 8.074 0.878 18507 4702 1 9 . 1 1 37 37 PHE N N 37 118.633 118.633 116.909 1.724 18507 4703 1 9 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.270 0.191 18507 4704 1 9 . 1 1 37 37 PHE C C 37 175.254 175.254 175.604 -0.350 18507 4705 1 9 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.556 -1.800 18507 4706 1 9 . 1 1 37 37 PHE CB C 37 37.763 37.763 38.020 -0.257 18507 4707 1 9 . 1 1 37 37 PHE H H 37 6.475 6.475 8.207 -1.732 18507 4708 1 9 . 1 1 38 38 ASN N N 38 119.885 119.885 116.126 3.759 18507 4709 1 9 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.664 0.276 18507 4710 1 9 . 1 1 38 38 ASN C C 38 175.954 175.954 174.981 0.973 18507 4711 1 9 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.706 -0.425 18507 4712 1 9 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.656 -2.454 18507 4713 1 9 . 1 1 38 38 ASN H H 38 6.610 6.610 6.921 -0.311 18507 4714 1 9 . 1 1 39 39 ASN N N 39 117.264 117.264 118.489 -1.225 18507 4715 1 9 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.473 -0.163 18507 4716 1 9 . 1 1 39 39 ASN C C 39 173.171 173.171 174.863 -1.692 18507 4717 1 9 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.433 0.355 18507 4718 1 9 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.120 -0.126 18507 4719 1 9 . 1 1 39 39 ASN H H 39 7.822 7.822 7.886 -0.064 18507 4720 1 9 . 1 1 40 40 TRP N N 40 113.463 113.463 113.605 -0.142 18507 4721 1 9 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.144 -0.143 18507 4722 1 9 . 1 1 40 40 TRP C C 40 177.457 177.457 176.986 0.471 18507 4723 1 9 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.945 -0.360 18507 4724 1 9 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.561 -1.774 18507 4725 1 9 . 1 1 40 40 TRP H H 40 8.300 8.300 7.634 0.666 18507 4726 1 9 . 1 1 41 41 SER N N 41 113.321 113.321 114.483 -1.162 18507 4727 1 9 . 1 1 41 41 SER HA H 41 4.216 4.216 4.563 -0.347 18507 4728 1 9 . 1 1 41 41 SER C C 41 174.913 174.913 173.934 0.979 18507 4729 1 9 . 1 1 41 41 SER CA C 41 60.460 60.460 59.105 1.355 18507 4730 1 9 . 1 1 41 41 SER CB C 41 64.591 64.591 63.934 0.657 18507 4731 1 9 . 1 1 41 41 SER H H 41 7.549 7.549 8.382 -0.833 18507 4732 1 9 . 1 1 42 42 THR N N 42 112.097 112.097 114.936 -2.839 18507 4733 1 9 . 1 1 42 42 THR HA H 42 4.576 4.576 4.381 0.195 18507 4734 1 9 . 1 1 42 42 THR C C 42 174.798 174.798 172.190 2.608 18507 4735 1 9 . 1 1 42 42 THR CA C 42 59.920 59.920 62.141 -2.221 18507 4736 1 9 . 1 1 42 42 THR CB C 42 71.457 71.457 70.020 1.437 18507 4737 1 9 . 1 1 42 42 THR H H 42 7.088 7.088 7.816 -0.728 18507 4738 1 9 . 1 1 43 43 LYS N N 43 122.104 122.104 127.283 -5.179 18507 4739 1 9 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.794 -0.122 18507 4740 1 9 . 1 1 43 43 LYS C C 43 174.839 174.839 176.010 -1.171 18507 4741 1 9 . 1 1 43 43 LYS CA C 43 55.293 55.293 55.374 -0.081 18507 4742 1 9 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.367 -0.029 18507 4743 1 9 . 1 1 43 43 LYS H H 43 8.466 8.466 8.409 0.057 18507 4744 1 9 . 1 1 44 44 ILE N N 44 128.655 128.655 126.736 1.919 18507 4745 1 9 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.542 0.086 18507 4746 1 9 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.262 0.310 18507 4747 1 9 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.623 1.481 18507 4748 1 9 . 1 1 44 44 ILE H H 44 9.596 9.596 9.142 0.454 18507 4749 1 9 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.368 -0.063 18507 4750 1 9 . 1 1 45 45 PRO C C 45 174.315 174.315 176.116 -1.801 18507 4751 1 9 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.502 0.229 18507 4752 1 9 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.324 -0.078 18507 4753 1 9 . 1 1 46 46 LEU N N 46 122.198 122.198 125.071 -2.873 18507 4754 1 9 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.510 0.003 18507 4755 1 9 . 1 1 46 46 LEU CA C 46 55.553 55.553 54.002 1.550 18507 4756 1 9 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.752 0.058 18507 4757 1 9 . 1 1 46 46 LEU H H 46 8.157 8.157 7.471 0.686 18507 4758 1 9 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.843 0.507 18507 4759 1 9 . 1 1 47 47 ILE C C 47 175.903 175.903 176.096 -0.193 18507 4760 1 9 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.124 -1.710 18507 4761 1 9 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.526 2.870 18507 4762 1 9 . 1 1 48 48 LYS N N 48 128.033 128.033 128.991 -0.958 18507 4763 1 9 . 1 1 48 48 LYS HA H 48 3.906 3.906 4.003 -0.097 18507 4764 1 9 . 1 1 48 48 LYS C C 48 176.252 176.252 175.828 0.424 18507 4765 1 9 . 1 1 48 48 LYS CA C 48 56.702 56.702 57.124 -0.422 18507 4766 1 9 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.816 -0.220 18507 4767 1 9 . 1 1 48 48 LYS H H 48 8.661 8.661 8.426 0.235 18507 4768 1 9 . 1 1 49 49 SER N N 49 122.194 122.194 119.277 2.917 18507 4769 1 9 . 1 1 49 49 SER HA H 49 4.367 4.367 4.695 -0.328 18507 4770 1 9 . 1 1 49 49 SER CA C 49 56.282 56.282 56.562 -0.280 18507 4771 1 9 . 1 1 49 49 SER CB C 49 62.849 62.849 64.712 -1.863 18507 4772 1 9 . 1 1 49 49 SER H H 49 8.638 8.638 8.207 0.431 18507 4773 1 9 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.420 -0.378 18507 4774 1 9 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.515 -0.531 18507 4775 1 9 . 1 1 50 50 HIS CB C 50 27.897 27.897 30.155 -2.258 18507 4776 1 9 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.649 0.066 18507 4777 1 9 . 1 1 51 51 ASN C C 51 174.091 174.091 174.543 -0.452 18507 4778 1 9 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.121 -0.345 18507 4779 1 9 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.135 -0.001 18507 4780 1 9 . 1 1 52 52 ASP N N 52 119.149 119.149 115.238 3.911 18507 4781 1 9 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.445 0.517 18507 4782 1 9 . 1 1 52 52 ASP C C 52 174.069 174.069 174.142 -0.073 18507 4783 1 9 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.128 0.416 18507 4784 1 9 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.452 1.104 18507 4785 1 9 . 1 1 52 52 ASP H H 52 8.031 8.031 7.478 0.553 18507 4786 1 9 . 1 1 53 53 PHE N N 53 118.169 118.169 117.222 0.947 18507 4787 1 9 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.690 0.460 18507 4788 1 9 . 1 1 53 53 PHE C C 53 175.583 175.583 175.831 -0.248 18507 4789 1 9 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.537 -1.165 18507 4790 1 9 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.133 1.758 18507 4791 1 9 . 1 1 53 53 PHE H H 53 8.534 8.534 8.475 0.059 18507 4792 1 9 . 1 1 54 54 VAL N N 54 118.983 118.983 114.275 4.708 18507 4793 1 9 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.861 0.464 18507 4794 1 9 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.869 0.265 18507 4795 1 9 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.468 0.281 18507 4796 1 9 . 1 1 54 54 VAL H H 54 9.324 9.324 8.078 1.246 18507 4797 1 9 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.823 -0.116 18507 4798 1 9 . 1 1 55 55 ALA C C 55 174.786 174.786 175.351 -0.565 18507 4799 1 9 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.872 0.015 18507 4800 1 9 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.556 -0.868 18507 4801 1 9 . 1 1 56 56 ILE N N 56 120.457 120.457 120.494 -0.037 18507 4802 1 9 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.398 0.154 18507 4803 1 9 . 1 1 56 56 ILE C C 56 175.419 175.419 174.450 0.969 18507 4804 1 9 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.788 1.134 18507 4805 1 9 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.664 -0.173 18507 4806 1 9 . 1 1 56 56 ILE H H 56 8.239 8.239 8.645 -0.406 18507 4807 1 9 . 1 1 57 57 LEU N N 57 127.392 127.392 123.416 3.976 18507 4808 1 9 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.652 -0.146 18507 4809 1 9 . 1 1 57 57 LEU C C 57 175.108 175.108 175.016 0.092 18507 4810 1 9 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.650 0.092 18507 4811 1 9 . 1 1 57 57 LEU CB C 57 45.170 45.170 45.896 -0.726 18507 4812 1 9 . 1 1 57 57 LEU H H 57 8.828 8.828 7.914 0.914 18507 4813 1 9 . 1 1 58 58 ASP N N 58 124.255 124.255 122.813 1.442 18507 4814 1 9 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.739 -0.111 18507 4815 1 9 . 1 1 58 58 ASP C C 58 175.066 175.066 175.673 -0.607 18507 4816 1 9 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.926 -1.985 18507 4817 1 9 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.764 -1.057 18507 4818 1 9 . 1 1 58 58 ASP H H 58 8.571 8.571 8.376 0.195 18507 4819 1 9 . 1 1 59 59 LEU N N 59 124.092 124.092 126.034 -1.942 18507 4820 1 9 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.818 -0.283 18507 4821 1 9 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.123 -0.250 18507 4822 1 9 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.249 -0.215 18507 4823 1 9 . 1 1 59 59 LEU H H 59 7.681 7.681 8.134 -0.453 18507 4824 1 9 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.501 0.100 18507 4825 1 9 . 1 1 60 60 PRO C C 60 175.599 175.599 176.018 -0.419 18507 4826 1 9 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.158 -0.676 18507 4827 1 9 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.650 0.018 18507 4828 1 9 . 1 1 61 61 GLU N N 61 119.164 119.164 121.685 -2.521 18507 4829 1 9 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.990 -0.131 18507 4830 1 9 . 1 1 61 61 GLU C C 61 176.121 176.121 175.698 0.423 18507 4831 1 9 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.630 -0.172 18507 4832 1 9 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.013 1.236 18507 4833 1 9 . 1 1 61 61 GLU H H 61 8.500 8.500 8.583 -0.083 18507 4834 1 9 . 1 1 62 62 GLY N N 62 111.529 111.529 114.612 -3.083 18507 4835 1 9 . 1 1 62 62 GLY C C 62 171.313 171.313 171.693 -0.380 18507 4836 1 9 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.393 -1.924 18507 4837 1 9 . 1 1 62 62 GLY H H 62 8.845 8.845 8.272 0.573 18507 4838 1 9 . 1 1 63 63 GLU N N 63 119.100 119.100 122.819 -3.719 18507 4839 1 9 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.795 -0.013 18507 4840 1 9 . 1 1 63 63 GLU C C 63 175.530 175.530 174.677 0.853 18507 4841 1 9 . 1 1 63 63 GLU CA C 63 54.978 54.978 55.227 -0.249 18507 4842 1 9 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.562 -1.179 18507 4843 1 9 . 1 1 63 63 GLU H H 63 8.015 8.015 8.241 -0.226 18507 4844 1 9 . 1 1 64 64 HIS N N 64 121.786 121.786 121.285 0.501 18507 4845 1 9 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.039 -0.222 18507 4846 1 9 . 1 1 64 64 HIS C C 64 174.358 174.358 173.269 1.089 18507 4847 1 9 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.545 0.425 18507 4848 1 9 . 1 1 64 64 HIS CB C 64 34.109 34.109 32.697 1.412 18507 4849 1 9 . 1 1 64 64 HIS H H 64 8.830 8.830 8.941 -0.111 18507 4850 1 9 . 1 1 65 65 GLN N N 65 121.667 121.667 118.396 3.271 18507 4851 1 9 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.862 0.899 18507 4852 1 9 . 1 1 65 65 GLN C C 65 175.833 175.833 174.628 1.205 18507 4853 1 9 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.184 -1.351 18507 4854 1 9 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.752 0.513 18507 4855 1 9 . 1 1 65 65 GLN H H 65 8.637 8.637 8.900 -0.263 18507 4856 1 9 . 1 1 66 66 TYR N N 66 116.908 116.908 120.267 -3.359 18507 4857 1 9 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.247 -0.072 18507 4858 1 9 . 1 1 66 66 TYR C C 66 171.751 171.751 173.798 -2.047 18507 4859 1 9 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.696 2.287 18507 4860 1 9 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.499 -0.769 18507 4861 1 9 . 1 1 66 66 TYR H H 66 8.894 8.894 7.932 0.962 18507 4862 1 9 . 1 1 67 67 LYS N N 67 118.307 118.307 117.759 0.548 18507 4863 1 9 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.574 0.059 18507 4864 1 9 . 1 1 67 67 LYS C C 67 173.317 173.317 174.797 -1.480 18507 4865 1 9 . 1 1 67 67 LYS CA C 67 56.876 56.876 55.333 1.543 18507 4866 1 9 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.639 0.561 18507 4867 1 9 . 1 1 67 67 LYS H H 67 8.927 8.927 8.341 0.586 18507 4868 1 9 . 1 1 68 68 PHE N N 68 118.691 118.691 122.484 -3.793 18507 4869 1 9 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.253 0.278 18507 4870 1 9 . 1 1 68 68 PHE C C 68 173.861 173.861 175.481 -1.620 18507 4871 1 9 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.511 0.437 18507 4872 1 9 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.097 0.175 18507 4873 1 9 . 1 1 68 68 PHE H H 68 8.436 8.436 8.272 0.164 18507 4874 1 9 . 1 1 69 69 PHE N N 69 125.718 125.718 123.625 2.093 18507 4875 1 9 . 1 1 69 69 PHE HA H 69 4.723 4.723 5.013 -0.290 18507 4876 1 9 . 1 1 69 69 PHE C C 69 174.574 174.574 173.332 1.242 18507 4877 1 9 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.603 -0.767 18507 4878 1 9 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.599 -0.444 18507 4879 1 9 . 1 1 69 69 PHE H H 69 9.000 9.000 8.656 0.344 18507 4880 1 9 . 1 1 70 70 VAL N N 70 126.808 126.808 125.259 1.549 18507 4881 1 9 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.564 -0.241 18507 4882 1 9 . 1 1 70 70 VAL C C 70 175.641 175.641 175.193 0.448 18507 4883 1 9 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.650 0.858 18507 4884 1 9 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.844 -1.374 18507 4885 1 9 . 1 1 70 70 VAL H H 70 8.688 8.688 8.089 0.599 18507 4886 1 9 . 1 1 71 71 ASP N N 71 128.747 128.747 125.937 2.810 18507 4887 1 9 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.149 0.086 18507 4888 1 9 . 1 1 71 71 ASP C C 71 176.119 176.119 176.170 -0.051 18507 4889 1 9 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.931 0.718 18507 4890 1 9 . 1 1 71 71 ASP CB C 71 39.629 39.629 39.984 -0.355 18507 4891 1 9 . 1 1 71 71 ASP H H 71 8.890 8.890 9.090 -0.200 18507 4892 1 9 . 1 1 72 72 GLY N N 72 100.856 100.856 104.506 -3.650 18507 4893 1 9 . 1 1 72 72 GLY C C 72 173.149 173.149 173.014 0.135 18507 4894 1 9 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.160 0.095 18507 4895 1 9 . 1 1 72 72 GLY H H 72 7.437 7.437 8.361 -0.924 18507 4896 1 9 . 1 1 73 73 GLN N N 73 117.716 117.716 113.918 3.798 18507 4897 1 9 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.375 0.105 18507 4898 1 9 . 1 1 73 73 GLN C C 73 173.981 173.981 173.078 0.903 18507 4899 1 9 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.066 0.219 18507 4900 1 9 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.627 1.283 18507 4901 1 9 . 1 1 73 73 GLN H H 73 6.923 6.923 6.501 0.422 18507 4902 1 9 . 1 1 74 74 TRP N N 74 123.738 123.738 122.044 1.694 18507 4903 1 9 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.251 0.562 18507 4904 1 9 . 1 1 74 74 TRP C C 74 177.239 177.239 177.265 -0.026 18507 4905 1 9 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.181 -0.393 18507 4906 1 9 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.847 0.071 18507 4907 1 9 . 1 1 74 74 TRP H H 74 8.836 8.836 8.765 0.071 18507 4908 1 9 . 1 1 75 75 VAL N N 75 121.900 121.900 119.839 2.061 18507 4909 1 9 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.858 0.128 18507 4910 1 9 . 1 1 75 75 VAL C C 75 172.903 172.903 173.990 -1.087 18507 4911 1 9 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.396 1.229 18507 4912 1 9 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.493 1.161 18507 4913 1 9 . 1 1 75 75 VAL H H 75 10.049 10.049 8.827 1.222 18507 4914 1 9 . 1 1 76 76 HIS N N 76 119.400 119.400 115.552 3.848 18507 4915 1 9 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.214 0.364 18507 4916 1 9 . 1 1 76 76 HIS C C 76 173.084 173.084 173.546 -0.462 18507 4917 1 9 . 1 1 76 76 HIS CA C 76 54.260 54.260 53.932 0.328 18507 4918 1 9 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.735 0.072 18507 4919 1 9 . 1 1 76 76 HIS H H 76 7.758 7.758 8.090 -0.332 18507 4920 1 9 . 1 1 77 77 ASP N N 77 121.057 121.057 122.775 -1.718 18507 4921 1 9 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.201 -0.097 18507 4922 1 9 . 1 1 77 77 ASP CA C 77 50.464 50.464 51.975 -1.511 18507 4923 1 9 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.889 -0.620 18507 4924 1 9 . 1 1 77 77 ASP H H 77 10.717 10.717 8.829 1.888 18507 4925 1 9 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.571 -0.036 18507 4926 1 9 . 1 1 78 78 PRO C C 78 177.387 177.387 177.448 -0.061 18507 4927 1 9 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.512 -0.915 18507 4928 1 9 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.415 -0.089 18507 4929 1 9 . 1 1 79 79 SER N N 79 116.058 116.058 113.476 2.582 18507 4930 1 9 . 1 1 79 79 SER HA H 79 4.477 4.477 4.460 0.017 18507 4931 1 9 . 1 1 79 79 SER C C 79 173.819 173.819 175.100 -1.281 18507 4932 1 9 . 1 1 79 79 SER CA C 79 59.369 59.369 59.410 -0.041 18507 4933 1 9 . 1 1 79 79 SER CB C 79 63.875 63.875 63.366 0.509 18507 4934 1 9 . 1 1 79 79 SER H H 79 8.853 8.853 8.190 0.663 18507 4935 1 9 . 1 1 80 80 GLU N N 80 122.620 122.620 120.842 1.778 18507 4936 1 9 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.673 0.286 18507 4937 1 9 . 1 1 80 80 GLU CA C 80 53.401 53.401 54.298 -0.897 18507 4938 1 9 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.228 0.392 18507 4939 1 9 . 1 1 80 80 GLU H H 80 7.332 7.332 7.491 -0.159 18507 4940 1 9 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.473 -0.034 18507 4941 1 9 . 1 1 81 81 PRO C C 81 177.020 177.020 175.962 1.058 18507 4942 1 9 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.053 0.643 18507 4943 1 9 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.073 -1.854 18507 4944 1 9 . 1 1 82 82 VAL N N 82 114.720 114.720 118.171 -3.451 18507 4945 1 9 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.844 0.623 18507 4946 1 9 . 1 1 82 82 VAL C C 82 175.787 175.787 175.078 0.709 18507 4947 1 9 . 1 1 82 82 VAL CA C 82 58.599 58.599 60.290 -1.691 18507 4948 1 9 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.908 2.850 18507 4949 1 9 . 1 1 82 82 VAL H H 82 8.221 8.221 7.753 0.468 18507 4950 1 9 . 1 1 83 83 VAL N N 83 117.999 117.999 122.374 -4.375 18507 4951 1 9 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.462 -0.052 18507 4952 1 9 . 1 1 83 83 VAL C C 83 173.384 173.384 174.124 -0.740 18507 4953 1 9 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.717 -1.184 18507 4954 1 9 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.746 -1.441 18507 4955 1 9 . 1 1 83 83 VAL H H 83 8.898 8.898 8.798 0.100 18507 4956 1 9 . 1 1 84 84 THR N N 84 120.469 120.469 123.649 -3.180 18507 4957 1 9 . 1 1 84 84 THR HA H 84 4.751 4.751 4.550 0.201 18507 4958 1 9 . 1 1 84 84 THR C C 84 174.975 174.975 174.358 0.617 18507 4959 1 9 . 1 1 84 84 THR CA C 84 61.446 61.446 62.747 -1.301 18507 4960 1 9 . 1 1 84 84 THR CB C 84 68.959 68.959 68.506 0.453 18507 4961 1 9 . 1 1 84 84 THR H H 84 8.309 8.309 8.351 -0.042 18507 4962 1 9 . 1 1 85 85 SER N N 85 123.544 123.544 120.772 2.772 18507 4963 1 9 . 1 1 85 85 SER HA H 85 4.533 4.533 4.388 0.145 18507 4964 1 9 . 1 1 85 85 SER CA C 85 57.027 57.027 58.716 -1.689 18507 4965 1 9 . 1 1 85 85 SER CB C 85 65.264 65.264 64.231 1.033 18507 4966 1 9 . 1 1 85 85 SER H H 85 9.137 9.137 8.785 0.352 18507 4967 1 9 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.106 -0.014 18507 4968 1 9 . 1 1 86 86 GLN C C 86 176.451 176.451 175.597 0.854 18507 4969 1 9 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.228 -0.158 18507 4970 1 9 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.174 -0.039 18507 4971 1 9 . 1 1 87 87 LEU N N 87 117.032 117.032 119.415 -2.383 18507 4972 1 9 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.428 -0.169 18507 4973 1 9 . 1 1 87 87 LEU C C 87 177.470 177.470 177.440 0.030 18507 4974 1 9 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.310 0.340 18507 4975 1 9 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.189 1.487 18507 4976 1 9 . 1 1 87 87 LEU H H 87 7.692 7.692 7.457 0.235 18507 4977 1 9 . 1 1 88 88 GLY N N 88 107.770 107.770 108.042 -0.272 18507 4978 1 9 . 1 1 88 88 GLY C C 88 174.029 174.029 173.862 0.167 18507 4979 1 9 . 1 1 88 88 GLY CA C 88 45.262 45.262 46.067 -0.805 18507 4980 1 9 . 1 1 88 88 GLY H H 88 7.932 7.932 7.947 -0.015 18507 4981 1 9 . 1 1 89 89 THR N N 89 112.596 112.596 110.597 1.999 18507 4982 1 9 . 1 1 89 89 THR HA H 89 4.259 4.259 4.532 -0.273 18507 4983 1 9 . 1 1 89 89 THR C C 89 172.837 172.837 174.041 -1.204 18507 4984 1 9 . 1 1 89 89 THR CA C 89 60.743 60.743 59.029 1.714 18507 4985 1 9 . 1 1 89 89 THR CB C 89 69.845 69.845 71.264 -1.419 18507 4986 1 9 . 1 1 89 89 THR H H 89 7.148 7.148 7.387 -0.239 18507 4987 1 9 . 1 1 90 90 ILE N N 90 123.927 123.927 124.828 -0.901 18507 4988 1 9 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.322 0.088 18507 4989 1 9 . 1 1 90 90 ILE C C 90 175.007 175.007 175.288 -0.281 18507 4990 1 9 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.378 0.173 18507 4991 1 9 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.971 1.964 18507 4992 1 9 . 1 1 90 90 ILE H H 90 8.514 8.514 8.736 -0.222 18507 4993 1 9 . 1 1 91 91 ASN N N 91 123.450 123.450 123.236 0.214 18507 4994 1 9 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.996 0.291 18507 4995 1 9 . 1 1 91 91 ASN C C 91 175.916 175.916 173.774 2.142 18507 4996 1 9 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.491 -0.515 18507 4997 1 9 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.320 0.856 18507 4998 1 9 . 1 1 91 91 ASN H H 91 8.497 8.497 8.853 -0.356 18507 4999 1 9 . 1 1 92 92 ASN N N 92 115.675 115.675 117.673 -1.998 18507 5000 1 9 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.607 1.004 18507 5001 1 9 . 1 1 92 92 ASN C C 92 173.765 173.765 174.053 -0.288 18507 5002 1 9 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.789 1.023 18507 5003 1 9 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.062 2.680 18507 5004 1 9 . 1 1 92 92 ASN H H 92 8.721 8.721 8.286 0.435 18507 5005 1 9 . 1 1 93 93 LEU N N 93 120.001 120.001 119.859 0.142 18507 5006 1 9 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.654 0.683 18507 5007 1 9 . 1 1 93 93 LEU C C 93 175.864 175.864 174.830 1.034 18507 5008 1 9 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.190 -0.668 18507 5009 1 9 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.963 1.160 18507 5010 1 9 . 1 1 93 93 LEU H H 93 7.661 7.661 8.269 -0.608 18507 5011 1 9 . 1 1 94 94 ILE N N 94 124.682 124.682 122.425 2.257 18507 5012 1 9 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.558 0.289 18507 5013 1 9 . 1 1 94 94 ILE C C 94 172.078 172.078 173.023 -0.945 18507 5014 1 9 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.464 -1.113 18507 5015 1 9 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.467 -0.376 18507 5016 1 9 . 1 1 94 94 ILE H H 94 9.282 9.282 8.993 0.289 18507 5017 1 9 . 1 1 95 95 HIS N N 95 126.782 126.782 125.751 1.031 18507 5018 1 9 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.161 -0.051 18507 5019 1 9 . 1 1 95 95 HIS C C 95 174.655 174.655 174.508 0.147 18507 5020 1 9 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.741 -0.407 18507 5021 1 9 . 1 1 95 95 HIS CB C 95 31.399 31.399 31.091 0.308 18507 5022 1 9 . 1 1 95 95 HIS H H 95 8.690 8.690 8.636 0.054 18507 5023 1 9 . 1 1 96 96 VAL N N 96 128.616 128.616 125.478 3.138 18507 5024 1 9 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.358 -0.243 18507 5025 1 9 . 1 1 96 96 VAL C C 96 175.515 175.515 175.524 -0.009 18507 5026 1 9 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.804 0.698 18507 5027 1 9 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.104 -0.772 18507 5028 1 9 . 1 1 96 96 VAL H H 96 9.082 9.082 8.580 0.502 18507 5029 1 9 . 1 1 97 97 LYS N N 97 128.692 128.692 126.194 2.498 18507 5030 1 9 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.753 -0.203 18507 5031 1 9 . 1 1 97 97 LYS C C 97 176.019 176.019 174.984 1.035 18507 5032 1 9 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.789 0.302 18507 5033 1 9 . 1 1 97 97 LYS CB C 97 34.588 34.588 35.655 -1.067 18507 5034 1 9 . 1 1 97 97 LYS H H 97 8.708 8.708 8.329 0.379 18507 5035 1 9 . 1 1 98 98 LYS N N 98 122.635 122.635 119.662 2.973 18507 5036 1 9 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.595 -0.473 18507 5037 1 9 . 1 1 98 98 LYS C C 98 176.947 176.947 175.446 1.501 18507 5038 1 9 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.825 1.407 18507 5039 1 9 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.860 -1.011 18507 5040 1 9 . 1 1 98 98 LYS H H 98 8.717 8.717 8.171 0.546 18507 5041 1 9 . 1 1 99 99 SER N N 99 116.737 116.737 115.423 1.314 18507 5042 1 9 . 1 1 99 99 SER HA H 99 4.357 4.357 4.787 -0.430 18507 5043 1 9 . 1 1 99 99 SER C C 99 174.335 174.335 173.813 0.522 18507 5044 1 9 . 1 1 99 99 SER CA C 99 58.240 58.240 57.391 0.849 18507 5045 1 9 . 1 1 99 99 SER CB C 99 63.664 63.664 63.681 -0.017 18507 5046 1 9 . 1 1 99 99 SER H H 99 8.393 8.393 8.558 -0.165 18507 5047 1 9 . 1 1 100 100 ASP N N 100 122.287 122.287 120.740 1.547 18507 5048 1 9 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.678 -0.152 18507 5049 1 9 . 1 1 100 100 ASP C C 100 175.823 175.823 175.870 -0.047 18507 5050 1 9 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.331 0.482 18507 5051 1 9 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.330 -0.391 18507 5052 1 9 . 1 1 100 100 ASP H H 100 8.288 8.288 8.484 -0.196 18507 5053 1 9 . 1 1 101 101 PHE N N 101 118.668 118.668 118.462 0.206 18507 5054 1 9 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.607 -0.032 18507 5055 1 9 . 1 1 101 101 PHE C C 101 175.279 175.279 175.937 -0.658 18507 5056 1 9 . 1 1 101 101 PHE CA C 101 57.462 57.462 59.388 -1.926 18507 5057 1 9 . 1 1 101 101 PHE CB C 101 39.557 39.557 40.303 -0.746 18507 5058 1 9 . 1 1 101 101 PHE H H 101 7.923 7.923 7.772 0.151 18507 5059 1 9 . 1 1 102 102 GLU N N 102 122.081 122.081 119.605 2.476 18507 5060 1 9 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.970 0.210 18507 5061 1 9 . 1 1 102 102 GLU C C 102 175.388 175.388 176.434 -1.046 18507 5062 1 9 . 1 1 102 102 GLU CA C 102 56.308 56.308 58.075 -1.767 18507 5063 1 9 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.799 0.785 18507 5064 1 9 . 1 1 102 102 GLU H H 102 8.138 8.138 8.584 -0.446 18507 5065 1 9 . 1 1 103 103 VAL N N 103 120.545 120.545 118.416 2.129 18507 5066 1 9 . 1 1 103 103 VAL HA H 103 4.024 4.024 4.045 -0.021 18507 5067 1 9 . 1 1 103 103 VAL C C 103 175.359 175.359 175.391 -0.032 18507 5068 1 9 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.283 0.390 18507 5069 1 9 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.787 0.311 18507 5070 1 9 . 1 1 103 103 VAL H H 103 7.934 7.934 7.335 0.599 18507 5071 1 9 . 1 1 104 104 PHE N N 104 124.359 124.359 124.085 0.274 18507 5072 1 9 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.493 0.202 18507 5073 1 9 . 1 1 104 104 PHE C C 104 174.530 174.530 175.577 -1.047 18507 5074 1 9 . 1 1 104 104 PHE CA C 104 57.140 57.140 58.487 -1.347 18507 5075 1 9 . 1 1 104 104 PHE CB C 104 39.964 39.964 38.674 1.290 18507 5076 1 9 . 1 1 104 104 PHE H H 104 8.340 8.340 8.322 0.018 18507 5077 1 10 . 1 1 2 2 ALA N N 2 129.609 129.609 123.183 6.426 18507 5078 1 10 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.141 0.195 18507 5079 1 10 . 1 1 2 2 ALA C C 2 177.730 177.730 177.011 0.719 18507 5080 1 10 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.432 0.158 18507 5081 1 10 . 1 1 2 2 ALA CB C 2 19.509 19.509 18.806 0.703 18507 5082 1 10 . 1 1 2 2 ALA H H 2 8.252 8.252 8.231 0.021 18507 5083 1 10 . 1 1 3 3 MET N N 3 119.597 119.597 120.396 -0.799 18507 5084 1 10 . 1 1 3 3 MET HA H 3 4.457 4.457 4.699 -0.242 18507 5085 1 10 . 1 1 3 3 MET C C 3 176.640 176.640 176.398 0.242 18507 5086 1 10 . 1 1 3 3 MET CA C 3 55.433 55.433 54.464 0.969 18507 5087 1 10 . 1 1 3 3 MET CB C 3 32.141 32.141 31.842 0.299 18507 5088 1 10 . 1 1 3 3 MET H H 3 8.526 8.526 8.193 0.333 18507 5089 1 10 . 1 1 4 4 GLY N N 4 110.104 110.104 110.922 -0.818 18507 5090 1 10 . 1 1 4 4 GLY C C 4 173.846 173.846 174.223 -0.377 18507 5091 1 10 . 1 1 4 4 GLY CA C 4 45.289 45.289 45.111 0.178 18507 5092 1 10 . 1 1 4 4 GLY H H 4 8.388 8.388 8.736 -0.348 18507 5093 1 10 . 1 1 5 5 ILE N N 5 120.177 120.177 116.991 3.186 18507 5094 1 10 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.588 -0.446 18507 5095 1 10 . 1 1 5 5 ILE C C 5 176.245 176.245 175.062 1.183 18507 5096 1 10 . 1 1 5 5 ILE CA C 5 60.706 60.706 59.520 1.186 18507 5097 1 10 . 1 1 5 5 ILE CB C 5 38.686 38.686 40.154 -1.468 18507 5098 1 10 . 1 1 5 5 ILE H H 5 7.995 7.995 7.536 0.459 18507 5099 1 10 . 1 1 6 6 ARG N N 6 125.295 125.295 121.709 3.586 18507 5100 1 10 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.709 -0.362 18507 5101 1 10 . 1 1 6 6 ARG C C 6 174.908 174.908 176.096 -1.188 18507 5102 1 10 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.208 0.604 18507 5103 1 10 . 1 1 6 6 ARG CB C 6 30.829 30.829 30.255 0.574 18507 5104 1 10 . 1 1 6 6 ARG H H 6 8.451 8.451 8.346 0.105 18507 5105 1 10 . 1 1 7 7 ASN N N 7 125.979 125.979 121.127 4.852 18507 5106 1 10 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.912 -0.429 18507 5107 1 10 . 1 1 7 7 ASN C C 7 175.993 175.993 174.782 1.211 18507 5108 1 10 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.075 2.624 18507 5109 1 10 . 1 1 7 7 ASN CB C 7 40.744 40.744 40.953 -0.209 18507 5110 1 10 . 1 1 7 7 ASN H H 7 8.072 8.072 8.546 -0.474 18507 5111 1 10 . 1 1 8 8 SER N N 8 120.939 120.939 115.487 5.452 18507 5112 1 10 . 1 1 8 8 SER C C 8 174.402 174.402 174.124 0.278 18507 5113 1 10 . 1 1 8 8 SER CA C 8 58.678 58.678 59.522 -0.844 18507 5114 1 10 . 1 1 8 8 SER CB C 8 63.735 63.735 63.190 0.545 18507 5115 1 10 . 1 1 8 8 SER H H 8 8.363 8.363 8.560 -0.197 18507 5116 1 10 . 1 1 9 9 ASP N N 9 122.169 122.169 125.297 -3.128 18507 5117 1 10 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.694 -0.082 18507 5118 1 10 . 1 1 9 9 ASP C C 9 176.302 176.302 175.686 0.616 18507 5119 1 10 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.322 0.345 18507 5120 1 10 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.239 -0.147 18507 5121 1 10 . 1 1 9 9 ASP H H 9 8.334 8.334 8.725 -0.391 18507 5122 1 10 . 1 1 10 10 SER N N 10 115.330 115.330 116.048 -0.718 18507 5123 1 10 . 1 1 10 10 SER HA H 10 4.408 4.408 4.257 0.151 18507 5124 1 10 . 1 1 10 10 SER C C 10 174.338 174.338 174.018 0.320 18507 5125 1 10 . 1 1 10 10 SER CA C 10 58.421 58.421 58.315 0.106 18507 5126 1 10 . 1 1 10 10 SER CB C 10 63.749 63.749 63.653 0.097 18507 5127 1 10 . 1 1 10 10 SER H H 10 8.130 8.130 8.201 -0.071 18507 5128 1 10 . 1 1 11 11 VAL N N 11 121.719 121.719 124.140 -2.421 18507 5129 1 10 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.113 -0.025 18507 5130 1 10 . 1 1 11 11 VAL C C 11 175.837 175.837 175.144 0.693 18507 5131 1 10 . 1 1 11 11 VAL CA C 11 61.972 61.972 62.610 -0.638 18507 5132 1 10 . 1 1 11 11 VAL CB C 11 32.508 32.508 31.663 0.845 18507 5133 1 10 . 1 1 11 11 VAL H H 11 8.040 8.040 8.301 -0.261 18507 5134 1 10 . 1 1 12 12 LYS N N 12 126.544 126.544 128.394 -1.850 18507 5135 1 10 . 1 1 12 12 LYS H H 12 8.349 8.349 8.423 -0.074 18507 5136 1 10 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.343 0.116 18507 5137 1 10 . 1 1 13 13 PRO C C 13 177.038 177.038 176.505 0.533 18507 5138 1 10 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.504 -0.636 18507 5139 1 10 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.328 0.853 18507 5140 1 10 . 1 1 14 14 THR N N 14 114.515 114.515 112.163 2.352 18507 5141 1 10 . 1 1 14 14 THR HA H 14 4.255 4.255 4.119 0.136 18507 5142 1 10 . 1 1 14 14 THR C C 14 174.477 174.477 174.723 -0.246 18507 5143 1 10 . 1 1 14 14 THR CA C 14 61.813 61.813 62.553 -0.740 18507 5144 1 10 . 1 1 14 14 THR CB C 14 69.675 69.675 69.067 0.608 18507 5145 1 10 . 1 1 14 14 THR H H 14 8.234 8.234 7.665 0.569 18507 5146 1 10 . 1 1 15 15 GLN N N 15 122.586 122.586 125.490 -2.904 18507 5147 1 10 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.592 -0.246 18507 5148 1 10 . 1 1 15 15 GLN C C 15 175.452 175.452 175.581 -0.129 18507 5149 1 10 . 1 1 15 15 GLN CA C 15 55.562 55.562 54.666 0.896 18507 5150 1 10 . 1 1 15 15 GLN CB C 15 29.535 29.535 30.358 -0.823 18507 5151 1 10 . 1 1 15 15 GLN H H 15 8.380 8.380 8.279 0.101 18507 5152 1 10 . 1 1 16 16 GLN N N 16 122.137 122.137 120.228 1.909 18507 5153 1 10 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.531 -0.271 18507 5154 1 10 . 1 1 16 16 GLN C C 16 175.050 175.050 174.483 0.567 18507 5155 1 10 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.428 0.114 18507 5156 1 10 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.356 0.370 18507 5157 1 10 . 1 1 16 16 GLN H H 16 8.457 8.457 8.507 -0.050 18507 5158 1 10 . 1 1 17 17 ALA N N 17 125.292 125.292 124.250 1.042 18507 5159 1 10 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.509 -0.198 18507 5160 1 10 . 1 1 17 17 ALA C C 17 176.628 176.628 176.145 0.483 18507 5161 1 10 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.834 -0.122 18507 5162 1 10 . 1 1 17 17 ALA CB C 17 19.967 19.967 21.247 -1.280 18507 5163 1 10 . 1 1 17 17 ALA H H 17 8.323 8.323 8.363 -0.040 18507 5164 1 10 . 1 1 18 18 ARG N N 18 122.106 122.106 121.144 0.962 18507 5165 1 10 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.702 -0.081 18507 5166 1 10 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.428 -0.202 18507 5167 1 10 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.656 0.119 18507 5168 1 10 . 1 1 18 18 ARG H H 18 8.591 8.591 8.662 -0.071 18507 5169 1 10 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.445 0.139 18507 5170 1 10 . 1 1 19 19 PRO C C 19 176.098 176.098 176.256 -0.158 18507 5171 1 10 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.530 0.431 18507 5172 1 10 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.343 -0.198 18507 5173 1 10 . 1 1 20 20 THR N N 20 121.694 121.694 113.543 8.151 18507 5174 1 10 . 1 1 20 20 THR HA H 20 4.228 4.228 4.287 -0.059 18507 5175 1 10 . 1 1 20 20 THR C C 20 172.413 172.413 174.242 -1.829 18507 5176 1 10 . 1 1 20 20 THR CA C 20 62.891 62.891 59.966 2.925 18507 5177 1 10 . 1 1 20 20 THR CB C 20 71.036 71.036 69.835 1.201 18507 5178 1 10 . 1 1 20 20 THR H H 20 9.046 9.046 8.125 0.921 18507 5179 1 10 . 1 1 21 21 VAL N N 21 127.141 127.141 125.020 2.121 18507 5180 1 10 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.218 0.329 18507 5181 1 10 . 1 1 21 21 VAL C C 21 175.345 175.345 174.324 1.021 18507 5182 1 10 . 1 1 21 21 VAL CA C 21 61.780 61.780 61.434 0.346 18507 5183 1 10 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.441 0.818 18507 5184 1 10 . 1 1 21 21 VAL H H 21 8.572 8.572 8.381 0.191 18507 5185 1 10 . 1 1 22 22 ILE N N 22 130.341 130.341 126.177 4.164 18507 5186 1 10 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.520 -0.227 18507 5187 1 10 . 1 1 22 22 ILE C C 22 173.794 173.794 174.587 -0.793 18507 5188 1 10 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.477 -1.026 18507 5189 1 10 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.031 -2.367 18507 5190 1 10 . 1 1 22 22 ILE H H 22 8.913 8.913 8.083 0.830 18507 5191 1 10 . 1 1 23 23 ARG N N 23 125.596 125.596 126.002 -0.406 18507 5192 1 10 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.071 0.438 18507 5193 1 10 . 1 1 23 23 ARG C C 23 174.125 174.125 174.333 -0.208 18507 5194 1 10 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.228 -1.223 18507 5195 1 10 . 1 1 23 23 ARG CB C 23 34.584 34.584 30.961 3.623 18507 5196 1 10 . 1 1 23 23 ARG H H 23 8.595 8.595 8.707 -0.112 18507 5197 1 10 . 1 1 24 24 TRP N N 24 123.124 123.124 127.689 -4.565 18507 5198 1 10 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.831 -0.044 18507 5199 1 10 . 1 1 24 24 TRP C C 24 177.208 177.208 173.855 3.353 18507 5200 1 10 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.304 -0.330 18507 5201 1 10 . 1 1 24 24 TRP CB C 24 32.407 32.407 31.621 0.786 18507 5202 1 10 . 1 1 24 24 TRP H H 24 9.098 9.098 9.109 -0.011 18507 5203 1 10 . 1 1 25 25 SER N N 25 123.623 123.623 121.752 1.871 18507 5204 1 10 . 1 1 25 25 SER HA H 25 4.827 4.827 4.656 0.171 18507 5205 1 10 . 1 1 25 25 SER CA C 25 58.442 58.442 57.136 1.306 18507 5206 1 10 . 1 1 25 25 SER CB C 25 63.993 63.993 64.024 -0.031 18507 5207 1 10 . 1 1 25 25 SER H H 25 8.837 8.837 8.119 0.718 18507 5208 1 10 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.404 -0.263 18507 5209 1 10 . 1 1 26 26 GLU C C 26 175.915 175.915 176.431 -0.516 18507 5210 1 10 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.590 -1.325 18507 5211 1 10 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.467 -1.183 18507 5212 1 10 . 1 1 27 27 GLY N N 27 109.186 109.186 108.491 0.695 18507 5213 1 10 . 1 1 27 27 GLY C C 27 173.380 173.380 174.298 -0.918 18507 5214 1 10 . 1 1 27 27 GLY CA C 27 44.632 44.632 44.757 -0.125 18507 5215 1 10 . 1 1 27 27 GLY H H 27 8.434 8.434 8.270 0.164 18507 5216 1 10 . 1 1 28 28 GLY N N 28 106.478 106.478 107.895 -1.417 18507 5217 1 10 . 1 1 28 28 GLY C C 28 172.572 172.572 173.963 -1.391 18507 5218 1 10 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.018 -0.321 18507 5219 1 10 . 1 1 28 28 GLY H H 28 7.948 7.948 7.842 0.106 18507 5220 1 10 . 1 1 29 29 LYS N N 29 120.742 120.742 119.184 1.558 18507 5221 1 10 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.414 0.201 18507 5222 1 10 . 1 1 29 29 LYS C C 29 177.173 177.173 176.018 1.155 18507 5223 1 10 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.813 1.138 18507 5224 1 10 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.285 0.550 18507 5225 1 10 . 1 1 29 29 LYS H H 29 10.077 10.077 8.189 1.888 18507 5226 1 10 . 1 1 30 30 GLU N N 30 121.578 121.578 118.896 2.682 18507 5227 1 10 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.392 -0.195 18507 5228 1 10 . 1 1 30 30 GLU C C 30 173.541 173.541 173.950 -0.409 18507 5229 1 10 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.373 0.606 18507 5230 1 10 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.801 0.672 18507 5231 1 10 . 1 1 30 30 GLU H H 30 8.810 8.810 7.858 0.952 18507 5232 1 10 . 1 1 31 31 VAL N N 31 124.182 124.182 122.382 1.800 18507 5233 1 10 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.691 -0.151 18507 5234 1 10 . 1 1 31 31 VAL C C 31 173.552 173.552 174.226 -0.674 18507 5235 1 10 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.534 0.701 18507 5236 1 10 . 1 1 31 31 VAL CB C 31 35.261 35.261 32.949 2.312 18507 5237 1 10 . 1 1 31 31 VAL H H 31 7.704 7.704 8.293 -0.589 18507 5238 1 10 . 1 1 32 32 PHE N N 32 123.930 123.930 124.633 -0.703 18507 5239 1 10 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.357 0.210 18507 5240 1 10 . 1 1 32 32 PHE C C 32 174.872 174.872 174.411 0.461 18507 5241 1 10 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.469 -1.484 18507 5242 1 10 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.865 0.484 18507 5243 1 10 . 1 1 32 32 PHE H H 32 8.856 8.856 8.239 0.617 18507 5244 1 10 . 1 1 33 33 ILE N N 33 116.493 116.493 121.415 -4.922 18507 5245 1 10 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.564 -0.084 18507 5246 1 10 . 1 1 33 33 ILE C C 33 174.067 174.067 174.233 -0.166 18507 5247 1 10 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.227 0.282 18507 5248 1 10 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.759 1.535 18507 5249 1 10 . 1 1 33 33 ILE H H 33 9.316 9.316 9.285 0.031 18507 5250 1 10 . 1 1 34 34 SER N N 34 116.962 116.962 121.637 -4.675 18507 5251 1 10 . 1 1 34 34 SER HA H 34 4.496 4.496 4.795 -0.299 18507 5252 1 10 . 1 1 34 34 SER C C 34 170.691 170.691 172.039 -1.348 18507 5253 1 10 . 1 1 34 34 SER CA C 34 57.343 57.343 57.541 -0.198 18507 5254 1 10 . 1 1 34 34 SER CB C 34 67.249 67.249 66.407 0.841 18507 5255 1 10 . 1 1 34 34 SER H H 34 8.518 8.518 8.645 -0.127 18507 5256 1 10 . 1 1 35 35 GLY N N 35 106.806 106.806 108.563 -1.757 18507 5257 1 10 . 1 1 35 35 GLY C C 35 172.451 172.451 172.031 0.420 18507 5258 1 10 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.641 1.420 18507 5259 1 10 . 1 1 35 35 GLY H H 35 7.200 7.200 7.071 0.129 18507 5260 1 10 . 1 1 36 36 SER N N 36 115.550 115.550 116.183 -0.633 18507 5261 1 10 . 1 1 36 36 SER HA H 36 3.388 3.388 4.322 -0.934 18507 5262 1 10 . 1 1 36 36 SER C C 36 177.094 177.094 176.854 0.240 18507 5263 1 10 . 1 1 36 36 SER CA C 36 60.882 60.882 59.717 1.165 18507 5264 1 10 . 1 1 36 36 SER CB C 36 61.978 61.978 63.507 -1.529 18507 5265 1 10 . 1 1 36 36 SER H H 36 8.952 8.952 7.965 0.987 18507 5266 1 10 . 1 1 37 37 PHE N N 37 118.633 118.633 116.795 1.838 18507 5267 1 10 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.264 0.197 18507 5268 1 10 . 1 1 37 37 PHE C C 37 175.254 175.254 175.612 -0.358 18507 5269 1 10 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.511 -1.754 18507 5270 1 10 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.838 -0.075 18507 5271 1 10 . 1 1 37 37 PHE H H 37 6.475 6.475 8.104 -1.629 18507 5272 1 10 . 1 1 38 38 ASN N N 38 119.885 119.885 116.218 3.667 18507 5273 1 10 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.671 0.269 18507 5274 1 10 . 1 1 38 38 ASN C C 38 175.954 175.954 174.959 0.995 18507 5275 1 10 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.750 -0.469 18507 5276 1 10 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.685 -2.484 18507 5277 1 10 . 1 1 38 38 ASN H H 38 6.610 6.610 6.961 -0.351 18507 5278 1 10 . 1 1 39 39 ASN N N 39 117.264 117.264 118.533 -1.269 18507 5279 1 10 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.472 -0.162 18507 5280 1 10 . 1 1 39 39 ASN C C 39 173.171 173.171 174.874 -1.703 18507 5281 1 10 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.419 0.369 18507 5282 1 10 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.140 -0.146 18507 5283 1 10 . 1 1 39 39 ASN H H 39 7.822 7.822 7.824 -0.002 18507 5284 1 10 . 1 1 40 40 TRP N N 40 113.463 113.463 113.439 0.024 18507 5285 1 10 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.154 -0.153 18507 5286 1 10 . 1 1 40 40 TRP C C 40 177.457 177.457 176.525 0.932 18507 5287 1 10 . 1 1 40 40 TRP CA C 40 57.585 57.585 58.206 -0.621 18507 5288 1 10 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.342 -1.555 18507 5289 1 10 . 1 1 40 40 TRP H H 40 8.300 8.300 7.685 0.615 18507 5290 1 10 . 1 1 41 41 SER N N 41 113.321 113.321 114.374 -1.053 18507 5291 1 10 . 1 1 41 41 SER HA H 41 4.216 4.216 4.588 -0.372 18507 5292 1 10 . 1 1 41 41 SER C C 41 174.913 174.913 173.963 0.950 18507 5293 1 10 . 1 1 41 41 SER CA C 41 60.460 60.460 58.577 1.883 18507 5294 1 10 . 1 1 41 41 SER CB C 41 64.591 64.591 63.726 0.865 18507 5295 1 10 . 1 1 41 41 SER H H 41 7.549 7.549 8.352 -0.803 18507 5296 1 10 . 1 1 42 42 THR N N 42 112.097 112.097 114.518 -2.421 18507 5297 1 10 . 1 1 42 42 THR HA H 42 4.576 4.576 4.381 0.195 18507 5298 1 10 . 1 1 42 42 THR C C 42 174.798 174.798 172.494 2.304 18507 5299 1 10 . 1 1 42 42 THR CA C 42 59.920 59.920 61.817 -1.897 18507 5300 1 10 . 1 1 42 42 THR CB C 42 71.457 71.457 70.388 1.069 18507 5301 1 10 . 1 1 42 42 THR H H 42 7.088 7.088 7.730 -0.642 18507 5302 1 10 . 1 1 43 43 LYS N N 43 122.104 122.104 125.620 -3.516 18507 5303 1 10 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.871 -0.199 18507 5304 1 10 . 1 1 43 43 LYS C C 43 174.839 174.839 176.425 -1.586 18507 5305 1 10 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.417 0.876 18507 5306 1 10 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.490 -0.152 18507 5307 1 10 . 1 1 43 43 LYS H H 43 8.466 8.466 8.185 0.281 18507 5308 1 10 . 1 1 44 44 ILE N N 44 128.655 128.655 126.654 2.001 18507 5309 1 10 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.559 0.069 18507 5310 1 10 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.271 0.301 18507 5311 1 10 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.692 1.412 18507 5312 1 10 . 1 1 44 44 ILE H H 44 9.596 9.596 9.078 0.518 18507 5313 1 10 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.418 -0.113 18507 5314 1 10 . 1 1 45 45 PRO C C 45 174.315 174.315 176.114 -1.799 18507 5315 1 10 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.553 0.178 18507 5316 1 10 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.427 -0.181 18507 5317 1 10 . 1 1 46 46 LEU N N 46 122.198 122.198 124.324 -2.126 18507 5318 1 10 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.567 -0.054 18507 5319 1 10 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.786 1.766 18507 5320 1 10 . 1 1 46 46 LEU CB C 46 42.810 42.810 43.219 -0.409 18507 5321 1 10 . 1 1 46 46 LEU H H 46 8.157 8.157 7.564 0.593 18507 5322 1 10 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.891 0.459 18507 5323 1 10 . 1 1 47 47 ILE C C 47 175.903 175.903 176.106 -0.203 18507 5324 1 10 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.072 -1.657 18507 5325 1 10 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.821 2.575 18507 5326 1 10 . 1 1 48 48 LYS N N 48 128.033 128.033 129.109 -1.076 18507 5327 1 10 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.904 0.002 18507 5328 1 10 . 1 1 48 48 LYS C C 48 176.252 176.252 175.596 0.656 18507 5329 1 10 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.989 -0.287 18507 5330 1 10 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.528 0.068 18507 5331 1 10 . 1 1 48 48 LYS H H 48 8.661 8.661 8.351 0.310 18507 5332 1 10 . 1 1 49 49 SER N N 49 122.194 122.194 118.626 3.568 18507 5333 1 10 . 1 1 49 49 SER HA H 49 4.367 4.367 4.657 -0.290 18507 5334 1 10 . 1 1 49 49 SER CA C 49 56.282 56.282 55.977 0.305 18507 5335 1 10 . 1 1 49 49 SER CB C 49 62.849 62.849 64.979 -2.130 18507 5336 1 10 . 1 1 49 49 SER H H 49 8.638 8.638 8.066 0.572 18507 5337 1 10 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.300 -0.258 18507 5338 1 10 . 1 1 50 50 HIS CA C 50 57.984 57.984 57.953 0.032 18507 5339 1 10 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.915 -2.018 18507 5340 1 10 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.625 0.090 18507 5341 1 10 . 1 1 51 51 ASN C C 51 174.091 174.091 174.322 -0.231 18507 5342 1 10 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.325 -0.549 18507 5343 1 10 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.280 -0.146 18507 5344 1 10 . 1 1 52 52 ASP N N 52 119.149 119.149 115.338 3.811 18507 5345 1 10 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.502 0.460 18507 5346 1 10 . 1 1 52 52 ASP C C 52 174.069 174.069 174.115 -0.046 18507 5347 1 10 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.203 0.341 18507 5348 1 10 . 1 1 52 52 ASP CB C 52 43.556 43.556 41.880 1.676 18507 5349 1 10 . 1 1 52 52 ASP H H 52 8.031 8.031 7.424 0.607 18507 5350 1 10 . 1 1 53 53 PHE N N 53 118.169 118.169 117.580 0.589 18507 5351 1 10 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.730 0.420 18507 5352 1 10 . 1 1 53 53 PHE C C 53 175.583 175.583 175.784 -0.201 18507 5353 1 10 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.273 -0.901 18507 5354 1 10 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.394 1.497 18507 5355 1 10 . 1 1 53 53 PHE H H 53 8.534 8.534 8.784 -0.250 18507 5356 1 10 . 1 1 54 54 VAL N N 54 118.983 118.983 114.844 4.139 18507 5357 1 10 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.791 0.534 18507 5358 1 10 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.417 0.717 18507 5359 1 10 . 1 1 54 54 VAL CB C 54 36.749 36.749 35.978 0.771 18507 5360 1 10 . 1 1 54 54 VAL H H 54 9.324 9.324 8.094 1.230 18507 5361 1 10 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.743 -0.036 18507 5362 1 10 . 1 1 55 55 ALA C C 55 174.786 174.786 175.616 -0.830 18507 5363 1 10 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.418 0.469 18507 5364 1 10 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.436 -0.748 18507 5365 1 10 . 1 1 56 56 ILE N N 56 120.457 120.457 120.271 0.186 18507 5366 1 10 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.369 0.183 18507 5367 1 10 . 1 1 56 56 ILE C C 56 175.419 175.419 174.481 0.938 18507 5368 1 10 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.890 1.032 18507 5369 1 10 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.178 0.313 18507 5370 1 10 . 1 1 56 56 ILE H H 56 8.239 8.239 8.639 -0.400 18507 5371 1 10 . 1 1 57 57 LEU N N 57 127.392 127.392 123.505 3.887 18507 5372 1 10 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.690 -0.184 18507 5373 1 10 . 1 1 57 57 LEU C C 57 175.108 175.108 175.218 -0.110 18507 5374 1 10 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.640 0.102 18507 5375 1 10 . 1 1 57 57 LEU CB C 57 45.170 45.170 46.053 -0.883 18507 5376 1 10 . 1 1 57 57 LEU H H 57 8.828 8.828 7.895 0.933 18507 5377 1 10 . 1 1 58 58 ASP N N 58 124.255 124.255 120.410 3.845 18507 5378 1 10 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.611 0.017 18507 5379 1 10 . 1 1 58 58 ASP C C 58 175.066 175.066 175.913 -0.847 18507 5380 1 10 . 1 1 58 58 ASP CA C 58 52.941 52.941 53.841 -0.900 18507 5381 1 10 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.128 -0.421 18507 5382 1 10 . 1 1 58 58 ASP H H 58 8.571 8.571 8.236 0.335 18507 5383 1 10 . 1 1 59 59 LEU N N 59 124.092 124.092 124.169 -0.077 18507 5384 1 10 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.665 -0.130 18507 5385 1 10 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.664 -0.791 18507 5386 1 10 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.642 -0.608 18507 5387 1 10 . 1 1 59 59 LEU H H 59 7.681 7.681 8.316 -0.635 18507 5388 1 10 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.490 0.111 18507 5389 1 10 . 1 1 60 60 PRO C C 60 175.599 175.599 176.122 -0.523 18507 5390 1 10 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.080 -0.598 18507 5391 1 10 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.508 0.160 18507 5392 1 10 . 1 1 61 61 GLU N N 61 119.164 119.164 121.955 -2.791 18507 5393 1 10 . 1 1 61 61 GLU HA H 61 3.859 3.859 4.117 -0.258 18507 5394 1 10 . 1 1 61 61 GLU C C 61 176.121 176.121 175.460 0.661 18507 5395 1 10 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.518 -0.060 18507 5396 1 10 . 1 1 61 61 GLU CB C 61 30.249 30.249 28.802 1.447 18507 5397 1 10 . 1 1 61 61 GLU H H 61 8.500 8.500 8.605 -0.105 18507 5398 1 10 . 1 1 62 62 GLY N N 62 111.529 111.529 114.710 -3.181 18507 5399 1 10 . 1 1 62 62 GLY C C 62 171.313 171.313 171.647 -0.334 18507 5400 1 10 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.296 -1.827 18507 5401 1 10 . 1 1 62 62 GLY H H 62 8.845 8.845 8.057 0.788 18507 5402 1 10 . 1 1 63 63 GLU N N 63 119.100 119.100 121.701 -2.601 18507 5403 1 10 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.714 0.068 18507 5404 1 10 . 1 1 63 63 GLU C C 63 175.530 175.530 174.626 0.904 18507 5405 1 10 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.649 0.329 18507 5406 1 10 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.194 -0.811 18507 5407 1 10 . 1 1 63 63 GLU H H 63 8.015 8.015 8.247 -0.232 18507 5408 1 10 . 1 1 64 64 HIS N N 64 121.786 121.786 121.441 0.345 18507 5409 1 10 . 1 1 64 64 HIS HA H 64 4.817 4.817 4.960 -0.143 18507 5410 1 10 . 1 1 64 64 HIS C C 64 174.358 174.358 173.084 1.274 18507 5411 1 10 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.274 0.696 18507 5412 1 10 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.370 0.739 18507 5413 1 10 . 1 1 64 64 HIS H H 64 8.830 8.830 9.064 -0.234 18507 5414 1 10 . 1 1 65 65 GLN N N 65 121.667 121.667 118.378 3.289 18507 5415 1 10 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.799 0.962 18507 5416 1 10 . 1 1 65 65 GLN C C 65 175.833 175.833 174.645 1.188 18507 5417 1 10 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.054 -1.221 18507 5418 1 10 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.547 0.718 18507 5419 1 10 . 1 1 65 65 GLN H H 65 8.637 8.637 8.917 -0.280 18507 5420 1 10 . 1 1 66 66 TYR N N 66 116.908 116.908 120.134 -3.226 18507 5421 1 10 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.353 -0.178 18507 5422 1 10 . 1 1 66 66 TYR C C 66 171.751 171.751 174.101 -2.350 18507 5423 1 10 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.755 2.228 18507 5424 1 10 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.604 -0.874 18507 5425 1 10 . 1 1 66 66 TYR H H 66 8.894 8.894 7.596 1.298 18507 5426 1 10 . 1 1 67 67 LYS N N 67 118.307 118.307 117.777 0.530 18507 5427 1 10 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.620 0.013 18507 5428 1 10 . 1 1 67 67 LYS C C 67 173.317 173.317 174.882 -1.565 18507 5429 1 10 . 1 1 67 67 LYS CA C 67 56.876 56.876 55.285 1.591 18507 5430 1 10 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.710 0.490 18507 5431 1 10 . 1 1 67 67 LYS H H 67 8.927 8.927 8.339 0.588 18507 5432 1 10 . 1 1 68 68 PHE N N 68 118.691 118.691 122.574 -3.883 18507 5433 1 10 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.207 0.324 18507 5434 1 10 . 1 1 68 68 PHE C C 68 173.861 173.861 175.375 -1.514 18507 5435 1 10 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.470 0.478 18507 5436 1 10 . 1 1 68 68 PHE CB C 68 41.272 41.272 40.995 0.277 18507 5437 1 10 . 1 1 68 68 PHE H H 68 8.436 8.436 8.296 0.140 18507 5438 1 10 . 1 1 69 69 PHE N N 69 125.718 125.718 124.112 1.606 18507 5439 1 10 . 1 1 69 69 PHE HA H 69 4.723 4.723 5.068 -0.345 18507 5440 1 10 . 1 1 69 69 PHE C C 69 174.574 174.574 173.384 1.190 18507 5441 1 10 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.519 -0.683 18507 5442 1 10 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.529 -0.373 18507 5443 1 10 . 1 1 69 69 PHE H H 69 9.000 9.000 8.843 0.157 18507 5444 1 10 . 1 1 70 70 VAL N N 70 126.808 126.808 125.809 0.999 18507 5445 1 10 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.600 -0.277 18507 5446 1 10 . 1 1 70 70 VAL C C 70 175.641 175.641 175.160 0.481 18507 5447 1 10 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.928 0.580 18507 5448 1 10 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.852 -1.382 18507 5449 1 10 . 1 1 70 70 VAL H H 70 8.688 8.688 7.945 0.743 18507 5450 1 10 . 1 1 71 71 ASP N N 71 128.747 128.747 125.979 2.768 18507 5451 1 10 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.191 0.044 18507 5452 1 10 . 1 1 71 71 ASP C C 71 176.119 176.119 176.184 -0.065 18507 5453 1 10 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.710 0.939 18507 5454 1 10 . 1 1 71 71 ASP CB C 71 39.629 39.629 39.914 -0.285 18507 5455 1 10 . 1 1 71 71 ASP H H 71 8.890 8.890 9.183 -0.293 18507 5456 1 10 . 1 1 72 72 GLY N N 72 100.856 100.856 104.280 -3.424 18507 5457 1 10 . 1 1 72 72 GLY C C 72 173.149 173.149 173.094 0.055 18507 5458 1 10 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.262 -0.007 18507 5459 1 10 . 1 1 72 72 GLY H H 72 7.437 7.437 8.432 -0.995 18507 5460 1 10 . 1 1 73 73 GLN N N 73 117.716 117.716 113.849 3.867 18507 5461 1 10 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.254 0.226 18507 5462 1 10 . 1 1 73 73 GLN C C 73 173.981 173.981 172.942 1.039 18507 5463 1 10 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.013 0.272 18507 5464 1 10 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.579 1.331 18507 5465 1 10 . 1 1 73 73 GLN H H 73 6.923 6.923 6.461 0.462 18507 5466 1 10 . 1 1 74 74 TRP N N 74 123.738 123.738 121.386 2.352 18507 5467 1 10 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.168 0.645 18507 5468 1 10 . 1 1 74 74 TRP C C 74 177.239 177.239 177.168 0.071 18507 5469 1 10 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.036 -0.249 18507 5470 1 10 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.901 0.017 18507 5471 1 10 . 1 1 74 74 TRP H H 74 8.836 8.836 8.634 0.202 18507 5472 1 10 . 1 1 75 75 VAL N N 75 121.900 121.900 119.297 2.603 18507 5473 1 10 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.560 0.426 18507 5474 1 10 . 1 1 75 75 VAL C C 75 172.903 172.903 173.964 -1.061 18507 5475 1 10 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.999 0.626 18507 5476 1 10 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.543 1.111 18507 5477 1 10 . 1 1 75 75 VAL H H 75 10.049 10.049 8.704 1.345 18507 5478 1 10 . 1 1 76 76 HIS N N 76 119.400 119.400 116.039 3.361 18507 5479 1 10 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.234 0.344 18507 5480 1 10 . 1 1 76 76 HIS C C 76 173.084 173.084 173.526 -0.442 18507 5481 1 10 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.420 -0.160 18507 5482 1 10 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.570 0.237 18507 5483 1 10 . 1 1 76 76 HIS H H 76 7.758 7.758 8.248 -0.490 18507 5484 1 10 . 1 1 77 77 ASP N N 77 121.057 121.057 120.824 0.233 18507 5485 1 10 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.034 0.070 18507 5486 1 10 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.717 -0.253 18507 5487 1 10 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.708 -0.439 18507 5488 1 10 . 1 1 77 77 ASP H H 77 10.717 10.717 8.797 1.920 18507 5489 1 10 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.570 -0.035 18507 5490 1 10 . 1 1 78 78 PRO C C 78 177.387 177.387 177.356 0.031 18507 5491 1 10 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.171 -0.574 18507 5492 1 10 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.559 -0.233 18507 5493 1 10 . 1 1 79 79 SER N N 79 116.058 116.058 112.309 3.749 18507 5494 1 10 . 1 1 79 79 SER HA H 79 4.477 4.477 4.413 0.064 18507 5495 1 10 . 1 1 79 79 SER C C 79 173.819 173.819 175.065 -1.246 18507 5496 1 10 . 1 1 79 79 SER CA C 79 59.369 59.369 59.263 0.106 18507 5497 1 10 . 1 1 79 79 SER CB C 79 63.875 63.875 63.378 0.497 18507 5498 1 10 . 1 1 79 79 SER H H 79 8.853 8.853 7.897 0.956 18507 5499 1 10 . 1 1 80 80 GLU N N 80 122.620 122.620 120.327 2.293 18507 5500 1 10 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.710 0.249 18507 5501 1 10 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.853 -0.452 18507 5502 1 10 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.031 0.589 18507 5503 1 10 . 1 1 80 80 GLU H H 80 7.332 7.332 7.798 -0.466 18507 5504 1 10 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.479 -0.040 18507 5505 1 10 . 1 1 81 81 PRO C C 81 177.020 177.020 175.642 1.378 18507 5506 1 10 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.172 0.524 18507 5507 1 10 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.315 -2.096 18507 5508 1 10 . 1 1 82 82 VAL N N 82 114.720 114.720 116.489 -1.769 18507 5509 1 10 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.963 0.504 18507 5510 1 10 . 1 1 82 82 VAL C C 82 175.787 175.787 174.859 0.928 18507 5511 1 10 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.247 -0.648 18507 5512 1 10 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.945 2.813 18507 5513 1 10 . 1 1 82 82 VAL H H 82 8.221 8.221 7.848 0.373 18507 5514 1 10 . 1 1 83 83 VAL N N 83 117.999 117.999 122.178 -4.179 18507 5515 1 10 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.427 -0.017 18507 5516 1 10 . 1 1 83 83 VAL C C 83 173.384 173.384 174.113 -0.729 18507 5517 1 10 . 1 1 83 83 VAL CA C 83 59.533 59.533 59.829 -0.296 18507 5518 1 10 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.457 -1.152 18507 5519 1 10 . 1 1 83 83 VAL H H 83 8.898 8.898 8.841 0.057 18507 5520 1 10 . 1 1 84 84 THR N N 84 120.469 120.469 123.387 -2.918 18507 5521 1 10 . 1 1 84 84 THR HA H 84 4.751 4.751 4.562 0.189 18507 5522 1 10 . 1 1 84 84 THR C C 84 174.975 174.975 174.413 0.562 18507 5523 1 10 . 1 1 84 84 THR CA C 84 61.446 61.446 62.361 -0.915 18507 5524 1 10 . 1 1 84 84 THR CB C 84 68.959 68.959 68.041 0.918 18507 5525 1 10 . 1 1 84 84 THR H H 84 8.309 8.309 8.332 -0.023 18507 5526 1 10 . 1 1 85 85 SER N N 85 123.544 123.544 122.029 1.515 18507 5527 1 10 . 1 1 85 85 SER HA H 85 4.533 4.533 4.248 0.285 18507 5528 1 10 . 1 1 85 85 SER CA C 85 57.027 57.027 58.027 -1.000 18507 5529 1 10 . 1 1 85 85 SER CB C 85 65.264 65.264 64.517 0.747 18507 5530 1 10 . 1 1 85 85 SER H H 85 9.137 9.137 8.706 0.431 18507 5531 1 10 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.154 -0.062 18507 5532 1 10 . 1 1 86 86 GLN C C 86 176.451 176.451 175.812 0.639 18507 5533 1 10 . 1 1 86 86 GLN CA C 86 58.070 58.070 57.944 0.126 18507 5534 1 10 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.232 -0.097 18507 5535 1 10 . 1 1 87 87 LEU N N 87 117.032 117.032 119.224 -2.192 18507 5536 1 10 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.425 -0.166 18507 5537 1 10 . 1 1 87 87 LEU C C 87 177.470 177.470 177.684 -0.214 18507 5538 1 10 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.229 0.421 18507 5539 1 10 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.793 0.883 18507 5540 1 10 . 1 1 87 87 LEU H H 87 7.692 7.692 7.547 0.145 18507 5541 1 10 . 1 1 88 88 GLY N N 88 107.770 107.770 108.345 -0.575 18507 5542 1 10 . 1 1 88 88 GLY C C 88 174.029 174.029 174.049 -0.020 18507 5543 1 10 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.527 -0.265 18507 5544 1 10 . 1 1 88 88 GLY H H 88 7.932 7.932 8.154 -0.222 18507 5545 1 10 . 1 1 89 89 THR N N 89 112.596 112.596 113.041 -0.445 18507 5546 1 10 . 1 1 89 89 THR HA H 89 4.259 4.259 4.661 -0.402 18507 5547 1 10 . 1 1 89 89 THR C C 89 172.837 172.837 174.287 -1.450 18507 5548 1 10 . 1 1 89 89 THR CA C 89 60.743 60.743 59.725 1.018 18507 5549 1 10 . 1 1 89 89 THR CB C 89 69.845 69.845 70.591 -0.746 18507 5550 1 10 . 1 1 89 89 THR H H 89 7.148 7.148 7.402 -0.254 18507 5551 1 10 . 1 1 90 90 ILE N N 90 123.927 123.927 125.819 -1.892 18507 5552 1 10 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.249 0.161 18507 5553 1 10 . 1 1 90 90 ILE C C 90 175.007 175.007 175.367 -0.360 18507 5554 1 10 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.462 0.089 18507 5555 1 10 . 1 1 90 90 ILE CB C 90 38.935 38.935 37.378 1.557 18507 5556 1 10 . 1 1 90 90 ILE H H 90 8.514 8.514 8.744 -0.230 18507 5557 1 10 . 1 1 91 91 ASN N N 91 123.450 123.450 120.444 3.006 18507 5558 1 10 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.849 0.438 18507 5559 1 10 . 1 1 91 91 ASN C C 91 175.916 175.916 173.418 2.498 18507 5560 1 10 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.996 -1.020 18507 5561 1 10 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.175 1.001 18507 5562 1 10 . 1 1 91 91 ASN H H 91 8.497 8.497 8.355 0.142 18507 5563 1 10 . 1 1 92 92 ASN N N 92 115.675 115.675 117.880 -2.205 18507 5564 1 10 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.670 0.941 18507 5565 1 10 . 1 1 92 92 ASN C C 92 173.765 173.765 174.226 -0.461 18507 5566 1 10 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.751 1.061 18507 5567 1 10 . 1 1 92 92 ASN CB C 92 41.743 41.743 38.772 2.971 18507 5568 1 10 . 1 1 92 92 ASN H H 92 8.721 8.721 8.292 0.429 18507 5569 1 10 . 1 1 93 93 LEU N N 93 120.001 120.001 120.138 -0.137 18507 5570 1 10 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.666 0.671 18507 5571 1 10 . 1 1 93 93 LEU C C 93 175.864 175.864 174.707 1.157 18507 5572 1 10 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.198 -0.676 18507 5573 1 10 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.996 1.127 18507 5574 1 10 . 1 1 93 93 LEU H H 93 7.661 7.661 7.775 -0.114 18507 5575 1 10 . 1 1 94 94 ILE N N 94 124.682 124.682 124.343 0.339 18507 5576 1 10 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.528 0.319 18507 5577 1 10 . 1 1 94 94 ILE C C 94 172.078 172.078 173.104 -1.026 18507 5578 1 10 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.029 -0.678 18507 5579 1 10 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.518 -0.427 18507 5580 1 10 . 1 1 94 94 ILE H H 94 9.282 9.282 9.154 0.128 18507 5581 1 10 . 1 1 95 95 HIS N N 95 126.782 126.782 126.876 -0.094 18507 5582 1 10 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.070 0.040 18507 5583 1 10 . 1 1 95 95 HIS C C 95 174.655 174.655 174.202 0.453 18507 5584 1 10 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.349 -0.015 18507 5585 1 10 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.284 1.115 18507 5586 1 10 . 1 1 95 95 HIS H H 95 8.690 8.690 8.639 0.051 18507 5587 1 10 . 1 1 96 96 VAL N N 96 128.616 128.616 124.496 4.120 18507 5588 1 10 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.231 -0.116 18507 5589 1 10 . 1 1 96 96 VAL C C 96 175.515 175.515 175.640 -0.125 18507 5590 1 10 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.892 0.610 18507 5591 1 10 . 1 1 96 96 VAL CB C 96 32.332 32.332 32.329 0.003 18507 5592 1 10 . 1 1 96 96 VAL H H 96 9.082 9.082 8.295 0.787 18507 5593 1 10 . 1 1 97 97 LYS N N 97 128.692 128.692 125.923 2.769 18507 5594 1 10 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.611 -0.061 18507 5595 1 10 . 1 1 97 97 LYS C C 97 176.019 176.019 174.717 1.302 18507 5596 1 10 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.590 0.501 18507 5597 1 10 . 1 1 97 97 LYS CB C 97 34.588 34.588 35.107 -0.519 18507 5598 1 10 . 1 1 97 97 LYS H H 97 8.708 8.708 8.438 0.270 18507 5599 1 10 . 1 1 98 98 LYS N N 98 122.635 122.635 118.996 3.639 18507 5600 1 10 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.614 -0.492 18507 5601 1 10 . 1 1 98 98 LYS C C 98 176.947 176.947 176.431 0.516 18507 5602 1 10 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.818 1.414 18507 5603 1 10 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.446 -0.597 18507 5604 1 10 . 1 1 98 98 LYS H H 98 8.717 8.717 8.268 0.449 18507 5605 1 10 . 1 1 99 99 SER N N 99 116.737 116.737 114.101 2.636 18507 5606 1 10 . 1 1 99 99 SER HA H 99 4.357 4.357 4.710 -0.353 18507 5607 1 10 . 1 1 99 99 SER C C 99 174.335 174.335 174.022 0.313 18507 5608 1 10 . 1 1 99 99 SER CA C 99 58.240 58.240 58.276 -0.036 18507 5609 1 10 . 1 1 99 99 SER CB C 99 63.664 63.664 63.925 -0.261 18507 5610 1 10 . 1 1 99 99 SER H H 99 8.393 8.393 8.415 -0.022 18507 5611 1 10 . 1 1 100 100 ASP N N 100 122.287 122.287 120.846 1.441 18507 5612 1 10 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.668 -0.142 18507 5613 1 10 . 1 1 100 100 ASP C C 100 175.823 175.823 175.873 -0.050 18507 5614 1 10 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.032 0.781 18507 5615 1 10 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.178 -0.240 18507 5616 1 10 . 1 1 100 100 ASP H H 100 8.288 8.288 8.178 0.110 18507 5617 1 10 . 1 1 101 101 PHE N N 101 118.668 118.668 119.210 -0.542 18507 5618 1 10 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.190 0.385 18507 5619 1 10 . 1 1 101 101 PHE C C 101 175.279 175.279 176.733 -1.454 18507 5620 1 10 . 1 1 101 101 PHE CA C 101 57.462 57.462 60.338 -2.876 18507 5621 1 10 . 1 1 101 101 PHE CB C 101 39.557 39.557 39.731 -0.174 18507 5622 1 10 . 1 1 101 101 PHE H H 101 7.923 7.923 7.792 0.131 18507 5623 1 10 . 1 1 102 102 GLU N N 102 122.081 122.081 118.502 3.579 18507 5624 1 10 . 1 1 102 102 GLU HA H 102 4.180 4.180 4.044 0.136 18507 5625 1 10 . 1 1 102 102 GLU C C 102 175.388 175.388 176.273 -0.885 18507 5626 1 10 . 1 1 102 102 GLU CA C 102 56.308 56.308 58.014 -1.706 18507 5627 1 10 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.566 1.020 18507 5628 1 10 . 1 1 102 102 GLU H H 102 8.138 8.138 8.656 -0.518 18507 5629 1 10 . 1 1 103 103 VAL N N 103 120.545 120.545 118.208 2.337 18507 5630 1 10 . 1 1 103 103 VAL HA H 103 4.024 4.024 4.009 0.015 18507 5631 1 10 . 1 1 103 103 VAL C C 103 175.359 175.359 175.206 0.153 18507 5632 1 10 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.768 -0.095 18507 5633 1 10 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.130 0.968 18507 5634 1 10 . 1 1 103 103 VAL H H 103 7.934 7.934 7.563 0.371 18507 5635 1 10 . 1 1 104 104 PHE N N 104 124.359 124.359 121.304 3.055 18507 5636 1 10 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.361 0.334 18507 5637 1 10 . 1 1 104 104 PHE C C 104 174.530 174.530 176.436 -1.906 18507 5638 1 10 . 1 1 104 104 PHE CA C 104 57.140 57.140 60.005 -2.865 18507 5639 1 10 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.668 0.296 18507 5640 1 10 . 1 1 104 104 PHE H H 104 8.340 8.340 8.514 -0.174 18507 5641 1 11 . 1 1 2 2 ALA N N 2 129.609 129.609 126.075 3.534 18507 5642 1 11 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.804 -0.468 18507 5643 1 11 . 1 1 2 2 ALA C C 2 177.730 177.730 177.713 0.017 18507 5644 1 11 . 1 1 2 2 ALA CA C 2 52.590 52.590 51.774 0.816 18507 5645 1 11 . 1 1 2 2 ALA CB C 2 19.509 19.509 20.620 -1.111 18507 5646 1 11 . 1 1 2 2 ALA H H 2 8.252 8.252 7.999 0.253 18507 5647 1 11 . 1 1 3 3 MET N N 3 119.597 119.597 119.547 0.050 18507 5648 1 11 . 1 1 3 3 MET HA H 3 4.457 4.457 4.244 0.213 18507 5649 1 11 . 1 1 3 3 MET C C 3 176.640 176.640 176.122 0.518 18507 5650 1 11 . 1 1 3 3 MET CA C 3 55.433 55.433 55.213 0.220 18507 5651 1 11 . 1 1 3 3 MET CB C 3 32.141 32.141 30.981 1.160 18507 5652 1 11 . 1 1 3 3 MET H H 3 8.526 8.526 8.621 -0.095 18507 5653 1 11 . 1 1 4 4 GLY N N 4 110.104 110.104 107.764 2.340 18507 5654 1 11 . 1 1 4 4 GLY C C 4 173.846 173.846 175.043 -1.197 18507 5655 1 11 . 1 1 4 4 GLY CA C 4 45.289 45.289 45.078 0.211 18507 5656 1 11 . 1 1 4 4 GLY H H 4 8.388 8.388 8.310 0.078 18507 5657 1 11 . 1 1 5 5 ILE N N 5 120.177 120.177 120.290 -0.113 18507 5658 1 11 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.435 -0.293 18507 5659 1 11 . 1 1 5 5 ILE C C 5 176.245 176.245 175.757 0.488 18507 5660 1 11 . 1 1 5 5 ILE CA C 5 60.706 60.706 59.482 1.224 18507 5661 1 11 . 1 1 5 5 ILE CB C 5 38.686 38.686 38.427 0.259 18507 5662 1 11 . 1 1 5 5 ILE H H 5 7.995 7.995 8.110 -0.115 18507 5663 1 11 . 1 1 6 6 ARG N N 6 125.295 125.295 123.157 2.138 18507 5664 1 11 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.482 -0.135 18507 5665 1 11 . 1 1 6 6 ARG C C 6 174.908 174.908 175.077 -0.169 18507 5666 1 11 . 1 1 6 6 ARG CA C 6 55.812 55.812 56.013 -0.201 18507 5667 1 11 . 1 1 6 6 ARG CB C 6 30.829 30.829 28.770 2.059 18507 5668 1 11 . 1 1 6 6 ARG H H 6 8.451 8.451 8.678 -0.227 18507 5669 1 11 . 1 1 7 7 ASN N N 7 125.979 125.979 119.206 6.773 18507 5670 1 11 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.884 -0.401 18507 5671 1 11 . 1 1 7 7 ASN C C 7 175.993 175.993 174.467 1.526 18507 5672 1 11 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.733 1.966 18507 5673 1 11 . 1 1 7 7 ASN CB C 7 40.744 40.744 40.267 0.477 18507 5674 1 11 . 1 1 7 7 ASN H H 7 8.072 8.072 7.785 0.287 18507 5675 1 11 . 1 1 8 8 SER N N 8 120.939 120.939 116.152 4.787 18507 5676 1 11 . 1 1 8 8 SER C C 8 174.402 174.402 174.075 0.327 18507 5677 1 11 . 1 1 8 8 SER CA C 8 58.678 58.678 57.912 0.766 18507 5678 1 11 . 1 1 8 8 SER CB C 8 63.735 63.735 62.614 1.121 18507 5679 1 11 . 1 1 8 8 SER H H 8 8.363 8.363 8.523 -0.160 18507 5680 1 11 . 1 1 9 9 ASP N N 9 122.169 122.169 123.107 -0.938 18507 5681 1 11 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.599 0.013 18507 5682 1 11 . 1 1 9 9 ASP C C 9 176.302 176.302 176.380 -0.078 18507 5683 1 11 . 1 1 9 9 ASP CA C 9 54.667 54.667 55.338 -0.671 18507 5684 1 11 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.096 -0.004 18507 5685 1 11 . 1 1 9 9 ASP H H 9 8.334 8.334 8.137 0.197 18507 5686 1 11 . 1 1 10 10 SER N N 10 115.330 115.330 114.925 0.405 18507 5687 1 11 . 1 1 10 10 SER HA H 10 4.408 4.408 4.501 -0.093 18507 5688 1 11 . 1 1 10 10 SER C C 10 174.338 174.338 173.676 0.662 18507 5689 1 11 . 1 1 10 10 SER CA C 10 58.421 58.421 59.659 -1.238 18507 5690 1 11 . 1 1 10 10 SER CB C 10 63.749 63.749 63.698 0.051 18507 5691 1 11 . 1 1 10 10 SER H H 10 8.130 8.130 8.284 -0.154 18507 5692 1 11 . 1 1 11 11 VAL N N 11 121.719 121.719 123.261 -1.542 18507 5693 1 11 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.207 -0.119 18507 5694 1 11 . 1 1 11 11 VAL C C 11 175.837 175.837 173.768 2.069 18507 5695 1 11 . 1 1 11 11 VAL CA C 11 61.972 61.972 62.523 -0.551 18507 5696 1 11 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.164 -0.656 18507 5697 1 11 . 1 1 11 11 VAL H H 11 8.040 8.040 8.019 0.021 18507 5698 1 11 . 1 1 12 12 LYS N N 12 126.544 126.544 127.893 -1.349 18507 5699 1 11 . 1 1 12 12 LYS H H 12 8.349 8.349 8.462 -0.113 18507 5700 1 11 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.406 0.053 18507 5701 1 11 . 1 1 13 13 PRO C C 13 177.038 177.038 176.418 0.620 18507 5702 1 11 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.694 -0.827 18507 5703 1 11 . 1 1 13 13 PRO CB C 13 32.182 32.182 32.314 -0.132 18507 5704 1 11 . 1 1 14 14 THR N N 14 114.515 114.515 110.315 4.200 18507 5705 1 11 . 1 1 14 14 THR HA H 14 4.255 4.255 4.593 -0.338 18507 5706 1 11 . 1 1 14 14 THR C C 14 174.477 174.477 173.001 1.476 18507 5707 1 11 . 1 1 14 14 THR CA C 14 61.813 61.813 60.844 0.969 18507 5708 1 11 . 1 1 14 14 THR CB C 14 69.675 69.675 70.638 -0.963 18507 5709 1 11 . 1 1 14 14 THR H H 14 8.234 8.234 7.675 0.559 18507 5710 1 11 . 1 1 15 15 GLN N N 15 122.586 122.586 119.435 3.151 18507 5711 1 11 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.471 -0.125 18507 5712 1 11 . 1 1 15 15 GLN C C 15 175.452 175.452 175.768 -0.316 18507 5713 1 11 . 1 1 15 15 GLN CA C 15 55.562 55.562 54.781 0.781 18507 5714 1 11 . 1 1 15 15 GLN CB C 15 29.535 29.535 30.183 -0.648 18507 5715 1 11 . 1 1 15 15 GLN H H 15 8.380 8.380 8.165 0.215 18507 5716 1 11 . 1 1 16 16 GLN N N 16 122.137 122.137 119.981 2.156 18507 5717 1 11 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.290 -0.030 18507 5718 1 11 . 1 1 16 16 GLN C C 16 175.050 175.050 174.264 0.786 18507 5719 1 11 . 1 1 16 16 GLN CA C 16 55.542 55.542 56.031 -0.489 18507 5720 1 11 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.587 0.139 18507 5721 1 11 . 1 1 16 16 GLN H H 16 8.457 8.457 8.474 -0.017 18507 5722 1 11 . 1 1 17 17 ALA N N 17 125.292 125.292 123.966 1.326 18507 5723 1 11 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.380 -0.069 18507 5724 1 11 . 1 1 17 17 ALA C C 17 176.628 176.628 176.318 0.310 18507 5725 1 11 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.834 -0.122 18507 5726 1 11 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.826 -0.860 18507 5727 1 11 . 1 1 17 17 ALA H H 17 8.323 8.323 8.362 -0.039 18507 5728 1 11 . 1 1 18 18 ARG N N 18 122.106 122.106 121.055 1.051 18507 5729 1 11 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.662 -0.041 18507 5730 1 11 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.769 -0.543 18507 5731 1 11 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.838 -0.063 18507 5732 1 11 . 1 1 18 18 ARG H H 18 8.591 8.591 8.585 0.006 18507 5733 1 11 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.567 0.017 18507 5734 1 11 . 1 1 19 19 PRO C C 19 176.098 176.098 176.268 -0.170 18507 5735 1 11 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.462 0.499 18507 5736 1 11 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.335 -0.190 18507 5737 1 11 . 1 1 20 20 THR N N 20 121.694 121.694 113.373 8.321 18507 5738 1 11 . 1 1 20 20 THR HA H 20 4.228 4.228 4.337 -0.109 18507 5739 1 11 . 1 1 20 20 THR C C 20 172.413 172.413 174.396 -1.983 18507 5740 1 11 . 1 1 20 20 THR CA C 20 62.891 62.891 60.557 2.334 18507 5741 1 11 . 1 1 20 20 THR CB C 20 71.036 71.036 69.765 1.271 18507 5742 1 11 . 1 1 20 20 THR H H 20 9.046 9.046 8.196 0.850 18507 5743 1 11 . 1 1 21 21 VAL N N 21 127.141 127.141 125.789 1.352 18507 5744 1 11 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.203 0.344 18507 5745 1 11 . 1 1 21 21 VAL C C 21 175.345 175.345 174.457 0.888 18507 5746 1 11 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.319 -0.539 18507 5747 1 11 . 1 1 21 21 VAL CB C 21 32.259 32.259 32.079 0.180 18507 5748 1 11 . 1 1 21 21 VAL H H 21 8.572 8.572 8.400 0.172 18507 5749 1 11 . 1 1 22 22 ILE N N 22 130.341 130.341 127.069 3.272 18507 5750 1 11 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.565 -0.272 18507 5751 1 11 . 1 1 22 22 ILE C C 22 173.794 173.794 174.211 -0.417 18507 5752 1 11 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.652 -1.201 18507 5753 1 11 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.389 -2.725 18507 5754 1 11 . 1 1 22 22 ILE H H 22 8.913 8.913 8.292 0.621 18507 5755 1 11 . 1 1 23 23 ARG N N 23 125.596 125.596 125.378 0.218 18507 5756 1 11 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.171 0.338 18507 5757 1 11 . 1 1 23 23 ARG C C 23 174.125 174.125 174.647 -0.522 18507 5758 1 11 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.276 -1.271 18507 5759 1 11 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.918 2.666 18507 5760 1 11 . 1 1 23 23 ARG H H 23 8.595 8.595 8.888 -0.293 18507 5761 1 11 . 1 1 24 24 TRP N N 24 123.124 123.124 127.762 -4.638 18507 5762 1 11 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.839 -0.052 18507 5763 1 11 . 1 1 24 24 TRP C C 24 177.208 177.208 174.006 3.202 18507 5764 1 11 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.139 -0.165 18507 5765 1 11 . 1 1 24 24 TRP CB C 24 32.407 32.407 31.893 0.514 18507 5766 1 11 . 1 1 24 24 TRP H H 24 9.098 9.098 8.795 0.303 18507 5767 1 11 . 1 1 25 25 SER N N 25 123.623 123.623 121.378 2.245 18507 5768 1 11 . 1 1 25 25 SER HA H 25 4.827 4.827 4.741 0.086 18507 5769 1 11 . 1 1 25 25 SER CA C 25 58.442 58.442 57.190 1.252 18507 5770 1 11 . 1 1 25 25 SER CB C 25 63.993 63.993 64.376 -0.383 18507 5771 1 11 . 1 1 25 25 SER H H 25 8.837 8.837 7.981 0.856 18507 5772 1 11 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.393 -0.252 18507 5773 1 11 . 1 1 26 26 GLU C C 26 175.915 175.915 175.973 -0.058 18507 5774 1 11 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.772 -1.508 18507 5775 1 11 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.551 -1.267 18507 5776 1 11 . 1 1 27 27 GLY N N 27 109.186 109.186 107.870 1.316 18507 5777 1 11 . 1 1 27 27 GLY C C 27 173.380 173.380 174.703 -1.323 18507 5778 1 11 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.240 -0.608 18507 5779 1 11 . 1 1 27 27 GLY H H 27 8.434 8.434 8.754 -0.320 18507 5780 1 11 . 1 1 28 28 GLY N N 28 106.478 106.478 108.103 -1.625 18507 5781 1 11 . 1 1 28 28 GLY C C 28 172.572 172.572 174.624 -2.052 18507 5782 1 11 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.175 -0.478 18507 5783 1 11 . 1 1 28 28 GLY H H 28 7.948 7.948 8.028 -0.080 18507 5784 1 11 . 1 1 29 29 LYS N N 29 120.742 120.742 117.899 2.843 18507 5785 1 11 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.431 0.184 18507 5786 1 11 . 1 1 29 29 LYS C C 29 177.173 177.173 175.880 1.293 18507 5787 1 11 . 1 1 29 29 LYS CA C 29 57.951 57.951 57.203 0.748 18507 5788 1 11 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.477 0.358 18507 5789 1 11 . 1 1 29 29 LYS H H 29 10.077 10.077 8.456 1.621 18507 5790 1 11 . 1 1 30 30 GLU N N 30 121.578 121.578 117.750 3.828 18507 5791 1 11 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.425 -0.228 18507 5792 1 11 . 1 1 30 30 GLU C C 30 173.541 173.541 173.830 -0.289 18507 5793 1 11 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.340 0.640 18507 5794 1 11 . 1 1 30 30 GLU CB C 30 32.473 32.473 32.000 0.473 18507 5795 1 11 . 1 1 30 30 GLU H H 30 8.810 8.810 7.845 0.965 18507 5796 1 11 . 1 1 31 31 VAL N N 31 124.182 124.182 122.059 2.123 18507 5797 1 11 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.580 -0.040 18507 5798 1 11 . 1 1 31 31 VAL C C 31 173.552 173.552 174.299 -0.747 18507 5799 1 11 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.694 0.541 18507 5800 1 11 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.809 1.452 18507 5801 1 11 . 1 1 31 31 VAL H H 31 7.704 7.704 8.222 -0.518 18507 5802 1 11 . 1 1 32 32 PHE N N 32 123.930 123.930 124.126 -0.196 18507 5803 1 11 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.378 0.189 18507 5804 1 11 . 1 1 32 32 PHE C C 32 174.872 174.872 174.336 0.536 18507 5805 1 11 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.523 -1.538 18507 5806 1 11 . 1 1 32 32 PHE CB C 32 44.349 44.349 44.151 0.198 18507 5807 1 11 . 1 1 32 32 PHE H H 32 8.856 8.856 8.087 0.769 18507 5808 1 11 . 1 1 33 33 ILE N N 33 116.493 116.493 121.032 -4.539 18507 5809 1 11 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.485 -0.005 18507 5810 1 11 . 1 1 33 33 ILE C C 33 174.067 174.067 174.080 -0.013 18507 5811 1 11 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.276 0.233 18507 5812 1 11 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.894 1.400 18507 5813 1 11 . 1 1 33 33 ILE H H 33 9.316 9.316 9.209 0.107 18507 5814 1 11 . 1 1 34 34 SER N N 34 116.962 116.962 121.783 -4.821 18507 5815 1 11 . 1 1 34 34 SER HA H 34 4.496 4.496 4.783 -0.287 18507 5816 1 11 . 1 1 34 34 SER C C 34 170.691 170.691 171.856 -1.165 18507 5817 1 11 . 1 1 34 34 SER CA C 34 57.343 57.343 56.899 0.444 18507 5818 1 11 . 1 1 34 34 SER CB C 34 67.249 67.249 65.137 2.112 18507 5819 1 11 . 1 1 34 34 SER H H 34 8.518 8.518 8.596 -0.078 18507 5820 1 11 . 1 1 35 35 GLY N N 35 106.806 106.806 108.996 -2.190 18507 5821 1 11 . 1 1 35 35 GLY C C 35 172.451 172.451 172.218 0.233 18507 5822 1 11 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.624 1.437 18507 5823 1 11 . 1 1 35 35 GLY H H 35 7.200 7.200 7.118 0.082 18507 5824 1 11 . 1 1 36 36 SER N N 36 115.550 115.550 115.953 -0.403 18507 5825 1 11 . 1 1 36 36 SER HA H 36 3.388 3.388 4.296 -0.908 18507 5826 1 11 . 1 1 36 36 SER C C 36 177.094 177.094 176.982 0.112 18507 5827 1 11 . 1 1 36 36 SER CA C 36 60.882 60.882 60.827 0.055 18507 5828 1 11 . 1 1 36 36 SER CB C 36 61.978 61.978 63.547 -1.569 18507 5829 1 11 . 1 1 36 36 SER H H 36 8.952 8.952 7.868 1.084 18507 5830 1 11 . 1 1 37 37 PHE N N 37 118.633 118.633 117.803 0.830 18507 5831 1 11 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.254 0.207 18507 5832 1 11 . 1 1 37 37 PHE C C 37 175.254 175.254 175.505 -0.251 18507 5833 1 11 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.359 -1.603 18507 5834 1 11 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.920 -0.157 18507 5835 1 11 . 1 1 37 37 PHE H H 37 6.475 6.475 7.975 -1.500 18507 5836 1 11 . 1 1 38 38 ASN N N 38 119.885 119.885 116.187 3.698 18507 5837 1 11 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.676 0.264 18507 5838 1 11 . 1 1 38 38 ASN C C 38 175.954 175.954 174.949 1.005 18507 5839 1 11 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.793 -0.512 18507 5840 1 11 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.742 -2.541 18507 5841 1 11 . 1 1 38 38 ASN H H 38 6.610 6.610 6.971 -0.361 18507 5842 1 11 . 1 1 39 39 ASN N N 39 117.264 117.264 118.495 -1.231 18507 5843 1 11 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.475 -0.165 18507 5844 1 11 . 1 1 39 39 ASN C C 39 173.171 173.171 174.882 -1.711 18507 5845 1 11 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.422 0.366 18507 5846 1 11 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.180 -0.186 18507 5847 1 11 . 1 1 39 39 ASN H H 39 7.822 7.822 7.830 -0.008 18507 5848 1 11 . 1 1 40 40 TRP N N 40 113.463 113.463 113.398 0.065 18507 5849 1 11 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.201 -0.200 18507 5850 1 11 . 1 1 40 40 TRP C C 40 177.457 177.457 176.389 1.068 18507 5851 1 11 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.811 -0.226 18507 5852 1 11 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.292 -1.505 18507 5853 1 11 . 1 1 40 40 TRP H H 40 8.300 8.300 7.727 0.573 18507 5854 1 11 . 1 1 41 41 SER N N 41 113.321 113.321 114.069 -0.748 18507 5855 1 11 . 1 1 41 41 SER HA H 41 4.216 4.216 4.672 -0.456 18507 5856 1 11 . 1 1 41 41 SER C C 41 174.913 174.913 174.261 0.652 18507 5857 1 11 . 1 1 41 41 SER CA C 41 60.460 60.460 58.745 1.715 18507 5858 1 11 . 1 1 41 41 SER CB C 41 64.591 64.591 64.276 0.315 18507 5859 1 11 . 1 1 41 41 SER H H 41 7.549 7.549 8.352 -0.803 18507 5860 1 11 . 1 1 42 42 THR N N 42 112.097 112.097 114.230 -2.133 18507 5861 1 11 . 1 1 42 42 THR HA H 42 4.576 4.576 4.374 0.202 18507 5862 1 11 . 1 1 42 42 THR C C 42 174.798 174.798 172.358 2.440 18507 5863 1 11 . 1 1 42 42 THR CA C 42 59.920 59.920 61.373 -1.453 18507 5864 1 11 . 1 1 42 42 THR CB C 42 71.457 71.457 69.933 1.524 18507 5865 1 11 . 1 1 42 42 THR H H 42 7.088 7.088 7.770 -0.682 18507 5866 1 11 . 1 1 43 43 LYS N N 43 122.104 122.104 126.105 -4.001 18507 5867 1 11 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.671 0.001 18507 5868 1 11 . 1 1 43 43 LYS C C 43 174.839 174.839 176.149 -1.310 18507 5869 1 11 . 1 1 43 43 LYS CA C 43 55.293 55.293 55.135 0.159 18507 5870 1 11 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.349 -0.010 18507 5871 1 11 . 1 1 43 43 LYS H H 43 8.466 8.466 8.292 0.174 18507 5872 1 11 . 1 1 44 44 ILE N N 44 128.655 128.655 126.695 1.960 18507 5873 1 11 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.546 0.082 18507 5874 1 11 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.263 0.309 18507 5875 1 11 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.626 1.478 18507 5876 1 11 . 1 1 44 44 ILE H H 44 9.596 9.596 9.141 0.455 18507 5877 1 11 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.401 -0.096 18507 5878 1 11 . 1 1 45 45 PRO C C 45 174.315 174.315 176.070 -1.755 18507 5879 1 11 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.552 0.179 18507 5880 1 11 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.350 -0.104 18507 5881 1 11 . 1 1 46 46 LEU N N 46 122.198 122.198 124.986 -2.788 18507 5882 1 11 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.473 0.040 18507 5883 1 11 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.962 1.591 18507 5884 1 11 . 1 1 46 46 LEU CB C 46 42.810 42.810 43.060 -0.250 18507 5885 1 11 . 1 1 46 46 LEU H H 46 8.157 8.157 7.528 0.629 18507 5886 1 11 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.898 0.452 18507 5887 1 11 . 1 1 47 47 ILE C C 47 175.903 175.903 176.193 -0.290 18507 5888 1 11 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.197 -1.782 18507 5889 1 11 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.898 2.498 18507 5890 1 11 . 1 1 48 48 LYS N N 48 128.033 128.033 128.841 -0.808 18507 5891 1 11 . 1 1 48 48 LYS HA H 48 3.906 3.906 4.071 -0.165 18507 5892 1 11 . 1 1 48 48 LYS C C 48 176.252 176.252 176.248 0.004 18507 5893 1 11 . 1 1 48 48 LYS CA C 48 56.702 56.702 57.021 -0.319 18507 5894 1 11 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.893 -0.297 18507 5895 1 11 . 1 1 48 48 LYS H H 48 8.661 8.661 8.522 0.139 18507 5896 1 11 . 1 1 49 49 SER N N 49 122.194 122.194 118.652 3.542 18507 5897 1 11 . 1 1 49 49 SER HA H 49 4.367 4.367 4.652 -0.285 18507 5898 1 11 . 1 1 49 49 SER CA C 49 56.282 56.282 56.519 -0.237 18507 5899 1 11 . 1 1 49 49 SER CB C 49 62.849 62.849 64.537 -1.688 18507 5900 1 11 . 1 1 49 49 SER H H 49 8.638 8.638 8.047 0.591 18507 5901 1 11 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.447 -0.405 18507 5902 1 11 . 1 1 50 50 HIS CA C 50 57.984 57.984 57.619 0.365 18507 5903 1 11 . 1 1 50 50 HIS CB C 50 27.897 27.897 30.125 -2.228 18507 5904 1 11 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.745 -0.030 18507 5905 1 11 . 1 1 51 51 ASN C C 51 174.091 174.091 175.190 -1.099 18507 5906 1 11 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.079 -0.303 18507 5907 1 11 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.835 -0.701 18507 5908 1 11 . 1 1 52 52 ASP N N 52 119.149 119.149 115.216 3.933 18507 5909 1 11 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.562 0.400 18507 5910 1 11 . 1 1 52 52 ASP C C 52 174.069 174.069 174.445 -0.376 18507 5911 1 11 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.571 -0.027 18507 5912 1 11 . 1 1 52 52 ASP CB C 52 43.556 43.556 43.289 0.267 18507 5913 1 11 . 1 1 52 52 ASP H H 52 8.031 8.031 7.611 0.420 18507 5914 1 11 . 1 1 53 53 PHE N N 53 118.169 118.169 118.437 -0.268 18507 5915 1 11 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.665 0.485 18507 5916 1 11 . 1 1 53 53 PHE C C 53 175.583 175.583 175.824 -0.241 18507 5917 1 11 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.095 -0.723 18507 5918 1 11 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.248 1.643 18507 5919 1 11 . 1 1 53 53 PHE H H 53 8.534 8.534 8.523 0.011 18507 5920 1 11 . 1 1 54 54 VAL N N 54 118.983 118.983 120.023 -1.040 18507 5921 1 11 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.593 0.732 18507 5922 1 11 . 1 1 54 54 VAL CA C 54 60.134 60.134 61.224 -1.091 18507 5923 1 11 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.773 -0.024 18507 5924 1 11 . 1 1 54 54 VAL H H 54 9.324 9.324 8.121 1.203 18507 5925 1 11 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.769 -0.062 18507 5926 1 11 . 1 1 55 55 ALA C C 55 174.786 174.786 175.639 -0.853 18507 5927 1 11 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.203 0.684 18507 5928 1 11 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.196 -0.508 18507 5929 1 11 . 1 1 56 56 ILE N N 56 120.457 120.457 120.186 0.271 18507 5930 1 11 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.337 0.215 18507 5931 1 11 . 1 1 56 56 ILE C C 56 175.419 175.419 174.383 1.036 18507 5932 1 11 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.638 1.284 18507 5933 1 11 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.513 -0.022 18507 5934 1 11 . 1 1 56 56 ILE H H 56 8.239 8.239 8.340 -0.101 18507 5935 1 11 . 1 1 57 57 LEU N N 57 127.392 127.392 123.341 4.051 18507 5936 1 11 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.639 -0.133 18507 5937 1 11 . 1 1 57 57 LEU C C 57 175.108 175.108 175.108 0.000 18507 5938 1 11 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.572 0.170 18507 5939 1 11 . 1 1 57 57 LEU CB C 57 45.170 45.170 45.933 -0.763 18507 5940 1 11 . 1 1 57 57 LEU H H 57 8.828 8.828 7.850 0.978 18507 5941 1 11 . 1 1 58 58 ASP N N 58 124.255 124.255 122.832 1.423 18507 5942 1 11 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.762 -0.134 18507 5943 1 11 . 1 1 58 58 ASP C C 58 175.066 175.066 175.778 -0.712 18507 5944 1 11 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.473 -1.532 18507 5945 1 11 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.438 -0.731 18507 5946 1 11 . 1 1 58 58 ASP H H 58 8.571 8.571 8.376 0.195 18507 5947 1 11 . 1 1 59 59 LEU N N 59 124.092 124.092 125.946 -1.854 18507 5948 1 11 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.814 -0.279 18507 5949 1 11 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.148 -0.275 18507 5950 1 11 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.366 -0.332 18507 5951 1 11 . 1 1 59 59 LEU H H 59 7.681 7.681 8.198 -0.517 18507 5952 1 11 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.485 0.116 18507 5953 1 11 . 1 1 60 60 PRO C C 60 175.599 175.599 176.030 -0.431 18507 5954 1 11 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.115 -0.633 18507 5955 1 11 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.602 0.066 18507 5956 1 11 . 1 1 61 61 GLU N N 61 119.164 119.164 121.737 -2.573 18507 5957 1 11 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.996 -0.137 18507 5958 1 11 . 1 1 61 61 GLU C C 61 176.121 176.121 175.580 0.541 18507 5959 1 11 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.686 -0.228 18507 5960 1 11 . 1 1 61 61 GLU CB C 61 30.249 30.249 28.977 1.272 18507 5961 1 11 . 1 1 61 61 GLU H H 61 8.500 8.500 8.615 -0.115 18507 5962 1 11 . 1 1 62 62 GLY N N 62 111.529 111.529 114.419 -2.890 18507 5963 1 11 . 1 1 62 62 GLY C C 62 171.313 171.313 171.369 -0.056 18507 5964 1 11 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.287 -1.818 18507 5965 1 11 . 1 1 62 62 GLY H H 62 8.845 8.845 8.101 0.744 18507 5966 1 11 . 1 1 63 63 GLU N N 63 119.100 119.100 121.944 -2.844 18507 5967 1 11 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.348 0.434 18507 5968 1 11 . 1 1 63 63 GLU C C 63 175.530 175.530 174.107 1.423 18507 5969 1 11 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.734 0.244 18507 5970 1 11 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.285 -0.902 18507 5971 1 11 . 1 1 63 63 GLU H H 63 8.015 8.015 8.019 -0.004 18507 5972 1 11 . 1 1 64 64 HIS N N 64 121.786 121.786 120.587 1.199 18507 5973 1 11 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.057 -0.240 18507 5974 1 11 . 1 1 64 64 HIS C C 64 174.358 174.358 173.566 0.792 18507 5975 1 11 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.672 0.298 18507 5976 1 11 . 1 1 64 64 HIS CB C 64 34.109 34.109 32.764 1.345 18507 5977 1 11 . 1 1 64 64 HIS H H 64 8.830 8.830 8.917 -0.087 18507 5978 1 11 . 1 1 65 65 GLN N N 65 121.667 121.667 119.364 2.303 18507 5979 1 11 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.987 0.774 18507 5980 1 11 . 1 1 65 65 GLN C C 65 175.833 175.833 174.603 1.230 18507 5981 1 11 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.075 -1.242 18507 5982 1 11 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.680 0.585 18507 5983 1 11 . 1 1 65 65 GLN H H 65 8.637 8.637 8.957 -0.320 18507 5984 1 11 . 1 1 66 66 TYR N N 66 116.908 116.908 120.732 -3.824 18507 5985 1 11 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.225 -0.050 18507 5986 1 11 . 1 1 66 66 TYR C C 66 171.751 171.751 173.831 -2.080 18507 5987 1 11 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.721 2.262 18507 5988 1 11 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.390 -0.660 18507 5989 1 11 . 1 1 66 66 TYR H H 66 8.894 8.894 8.524 0.370 18507 5990 1 11 . 1 1 67 67 LYS N N 67 118.307 118.307 117.971 0.336 18507 5991 1 11 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.690 -0.057 18507 5992 1 11 . 1 1 67 67 LYS C C 67 173.317 173.317 174.964 -1.647 18507 5993 1 11 . 1 1 67 67 LYS CA C 67 56.876 56.876 55.017 1.859 18507 5994 1 11 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.873 0.327 18507 5995 1 11 . 1 1 67 67 LYS H H 67 8.927 8.927 8.493 0.434 18507 5996 1 11 . 1 1 68 68 PHE N N 68 118.691 118.691 122.438 -3.747 18507 5997 1 11 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.249 0.282 18507 5998 1 11 . 1 1 68 68 PHE C C 68 173.861 173.861 175.481 -1.620 18507 5999 1 11 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.515 0.433 18507 6000 1 11 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.033 0.239 18507 6001 1 11 . 1 1 68 68 PHE H H 68 8.436 8.436 8.289 0.147 18507 6002 1 11 . 1 1 69 69 PHE N N 69 125.718 125.718 123.696 2.022 18507 6003 1 11 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.934 -0.211 18507 6004 1 11 . 1 1 69 69 PHE C C 69 174.574 174.574 173.245 1.329 18507 6005 1 11 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.604 -0.768 18507 6006 1 11 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.807 -0.651 18507 6007 1 11 . 1 1 69 69 PHE H H 69 9.000 9.000 8.630 0.370 18507 6008 1 11 . 1 1 70 70 VAL N N 70 126.808 126.808 125.254 1.554 18507 6009 1 11 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.566 -0.243 18507 6010 1 11 . 1 1 70 70 VAL C C 70 175.641 175.641 175.714 -0.073 18507 6011 1 11 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.528 0.980 18507 6012 1 11 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.510 -1.040 18507 6013 1 11 . 1 1 70 70 VAL H H 70 8.688 8.688 8.057 0.631 18507 6014 1 11 . 1 1 71 71 ASP N N 71 128.747 128.747 125.707 3.040 18507 6015 1 11 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.188 0.047 18507 6016 1 11 . 1 1 71 71 ASP C C 71 176.119 176.119 176.228 -0.109 18507 6017 1 11 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.842 0.807 18507 6018 1 11 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.249 -0.620 18507 6019 1 11 . 1 1 71 71 ASP H H 71 8.890 8.890 9.083 -0.193 18507 6020 1 11 . 1 1 72 72 GLY N N 72 100.856 100.856 103.805 -2.949 18507 6021 1 11 . 1 1 72 72 GLY C C 72 173.149 173.149 173.219 -0.070 18507 6022 1 11 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.203 0.052 18507 6023 1 11 . 1 1 72 72 GLY H H 72 7.437 7.437 8.366 -0.929 18507 6024 1 11 . 1 1 73 73 GLN N N 73 117.716 117.716 114.109 3.607 18507 6025 1 11 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.340 0.140 18507 6026 1 11 . 1 1 73 73 GLN C C 73 173.981 173.981 173.103 0.878 18507 6027 1 11 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.053 0.232 18507 6028 1 11 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.631 1.279 18507 6029 1 11 . 1 1 73 73 GLN H H 73 6.923 6.923 6.544 0.379 18507 6030 1 11 . 1 1 74 74 TRP N N 74 123.738 123.738 122.428 1.310 18507 6031 1 11 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.211 0.602 18507 6032 1 11 . 1 1 74 74 TRP C C 74 177.239 177.239 177.018 0.221 18507 6033 1 11 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.425 -0.637 18507 6034 1 11 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.934 -0.016 18507 6035 1 11 . 1 1 74 74 TRP H H 74 8.836 8.836 8.732 0.104 18507 6036 1 11 . 1 1 75 75 VAL N N 75 121.900 121.900 119.074 2.826 18507 6037 1 11 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.593 0.393 18507 6038 1 11 . 1 1 75 75 VAL C C 75 172.903 172.903 173.953 -1.050 18507 6039 1 11 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.289 1.336 18507 6040 1 11 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.316 1.338 18507 6041 1 11 . 1 1 75 75 VAL H H 75 10.049 10.049 8.784 1.265 18507 6042 1 11 . 1 1 76 76 HIS N N 76 119.400 119.400 115.113 4.287 18507 6043 1 11 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.250 0.328 18507 6044 1 11 . 1 1 76 76 HIS C C 76 173.084 173.084 173.539 -0.455 18507 6045 1 11 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.411 -0.151 18507 6046 1 11 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.684 0.123 18507 6047 1 11 . 1 1 76 76 HIS H H 76 7.758 7.758 8.053 -0.295 18507 6048 1 11 . 1 1 77 77 ASP N N 77 121.057 121.057 121.181 -0.124 18507 6049 1 11 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.156 -0.052 18507 6050 1 11 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.191 0.273 18507 6051 1 11 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.416 -0.147 18507 6052 1 11 . 1 1 77 77 ASP H H 77 10.717 10.717 9.045 1.672 18507 6053 1 11 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.551 -0.016 18507 6054 1 11 . 1 1 78 78 PRO C C 78 177.387 177.387 177.331 0.056 18507 6055 1 11 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.389 -0.792 18507 6056 1 11 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.641 -0.315 18507 6057 1 11 . 1 1 79 79 SER N N 79 116.058 116.058 113.545 2.513 18507 6058 1 11 . 1 1 79 79 SER HA H 79 4.477 4.477 4.424 0.053 18507 6059 1 11 . 1 1 79 79 SER C C 79 173.819 173.819 174.852 -1.033 18507 6060 1 11 . 1 1 79 79 SER CA C 79 59.369 59.369 59.246 0.123 18507 6061 1 11 . 1 1 79 79 SER CB C 79 63.875 63.875 63.696 0.180 18507 6062 1 11 . 1 1 79 79 SER H H 79 8.853 8.853 8.050 0.803 18507 6063 1 11 . 1 1 80 80 GLU N N 80 122.620 122.620 120.263 2.357 18507 6064 1 11 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.667 0.292 18507 6065 1 11 . 1 1 80 80 GLU CA C 80 53.401 53.401 54.081 -0.680 18507 6066 1 11 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.066 0.554 18507 6067 1 11 . 1 1 80 80 GLU H H 80 7.332 7.332 7.559 -0.227 18507 6068 1 11 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.453 -0.014 18507 6069 1 11 . 1 1 81 81 PRO C C 81 177.020 177.020 175.798 1.222 18507 6070 1 11 . 1 1 81 81 PRO CA C 81 63.696 63.696 62.931 0.765 18507 6071 1 11 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.152 -1.933 18507 6072 1 11 . 1 1 82 82 VAL N N 82 114.720 114.720 119.227 -4.507 18507 6073 1 11 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.905 0.562 18507 6074 1 11 . 1 1 82 82 VAL C C 82 175.787 175.787 175.045 0.742 18507 6075 1 11 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.818 -1.219 18507 6076 1 11 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.802 2.956 18507 6077 1 11 . 1 1 82 82 VAL H H 82 8.221 8.221 7.858 0.363 18507 6078 1 11 . 1 1 83 83 VAL N N 83 117.999 117.999 121.712 -3.713 18507 6079 1 11 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.405 0.005 18507 6080 1 11 . 1 1 83 83 VAL C C 83 173.384 173.384 174.405 -1.021 18507 6081 1 11 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.309 -0.776 18507 6082 1 11 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.504 -1.199 18507 6083 1 11 . 1 1 83 83 VAL H H 83 8.898 8.898 8.892 0.006 18507 6084 1 11 . 1 1 84 84 THR N N 84 120.469 120.469 123.985 -3.516 18507 6085 1 11 . 1 1 84 84 THR HA H 84 4.751 4.751 4.423 0.328 18507 6086 1 11 . 1 1 84 84 THR C C 84 174.975 174.975 174.210 0.765 18507 6087 1 11 . 1 1 84 84 THR CA C 84 61.446 61.446 62.548 -1.102 18507 6088 1 11 . 1 1 84 84 THR CB C 84 68.959 68.959 68.454 0.505 18507 6089 1 11 . 1 1 84 84 THR H H 84 8.309 8.309 8.345 -0.036 18507 6090 1 11 . 1 1 85 85 SER N N 85 123.544 123.544 121.837 1.707 18507 6091 1 11 . 1 1 85 85 SER HA H 85 4.533 4.533 4.194 0.339 18507 6092 1 11 . 1 1 85 85 SER CA C 85 57.027 57.027 58.195 -1.168 18507 6093 1 11 . 1 1 85 85 SER CB C 85 65.264 65.264 64.325 0.939 18507 6094 1 11 . 1 1 85 85 SER H H 85 9.137 9.137 8.405 0.732 18507 6095 1 11 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.286 -0.194 18507 6096 1 11 . 1 1 86 86 GLN C C 86 176.451 176.451 175.467 0.984 18507 6097 1 11 . 1 1 86 86 GLN CA C 86 58.070 58.070 57.616 0.454 18507 6098 1 11 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.307 -0.172 18507 6099 1 11 . 1 1 87 87 LEU N N 87 117.032 117.032 119.134 -2.102 18507 6100 1 11 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.584 -0.325 18507 6101 1 11 . 1 1 87 87 LEU C C 87 177.470 177.470 177.299 0.171 18507 6102 1 11 . 1 1 87 87 LEU CA C 87 54.650 54.650 53.890 0.760 18507 6103 1 11 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.756 0.920 18507 6104 1 11 . 1 1 87 87 LEU H H 87 7.692 7.692 7.933 -0.241 18507 6105 1 11 . 1 1 88 88 GLY N N 88 107.770 107.770 108.884 -1.114 18507 6106 1 11 . 1 1 88 88 GLY C C 88 174.029 174.029 174.171 -0.142 18507 6107 1 11 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.768 -0.506 18507 6108 1 11 . 1 1 88 88 GLY H H 88 7.932 7.932 7.750 0.182 18507 6109 1 11 . 1 1 89 89 THR N N 89 112.596 112.596 113.086 -0.490 18507 6110 1 11 . 1 1 89 89 THR HA H 89 4.259 4.259 4.646 -0.387 18507 6111 1 11 . 1 1 89 89 THR C C 89 172.837 172.837 174.378 -1.541 18507 6112 1 11 . 1 1 89 89 THR CA C 89 60.743 60.743 59.784 0.959 18507 6113 1 11 . 1 1 89 89 THR CB C 89 69.845 69.845 70.347 -0.502 18507 6114 1 11 . 1 1 89 89 THR H H 89 7.148 7.148 7.293 -0.145 18507 6115 1 11 . 1 1 90 90 ILE N N 90 123.927 123.927 127.192 -3.265 18507 6116 1 11 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.233 0.177 18507 6117 1 11 . 1 1 90 90 ILE C C 90 175.007 175.007 175.366 -0.359 18507 6118 1 11 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.668 -0.117 18507 6119 1 11 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.868 2.067 18507 6120 1 11 . 1 1 90 90 ILE H H 90 8.514 8.514 8.879 -0.365 18507 6121 1 11 . 1 1 91 91 ASN N N 91 123.450 123.450 122.600 0.850 18507 6122 1 11 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.934 0.353 18507 6123 1 11 . 1 1 91 91 ASN C C 91 175.916 175.916 173.639 2.277 18507 6124 1 11 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.668 -0.692 18507 6125 1 11 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.285 0.891 18507 6126 1 11 . 1 1 91 91 ASN H H 91 8.497 8.497 8.653 -0.156 18507 6127 1 11 . 1 1 92 92 ASN N N 92 115.675 115.675 117.647 -1.972 18507 6128 1 11 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.619 0.992 18507 6129 1 11 . 1 1 92 92 ASN C C 92 173.765 173.765 173.680 0.085 18507 6130 1 11 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.883 0.929 18507 6131 1 11 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.075 2.668 18507 6132 1 11 . 1 1 92 92 ASN H H 92 8.721 8.721 8.358 0.363 18507 6133 1 11 . 1 1 93 93 LEU N N 93 120.001 120.001 120.284 -0.283 18507 6134 1 11 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.666 0.671 18507 6135 1 11 . 1 1 93 93 LEU C C 93 175.864 175.864 175.288 0.576 18507 6136 1 11 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.363 -0.841 18507 6137 1 11 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.115 2.008 18507 6138 1 11 . 1 1 93 93 LEU H H 93 7.661 7.661 8.225 -0.564 18507 6139 1 11 . 1 1 94 94 ILE N N 94 124.682 124.682 126.352 -1.670 18507 6140 1 11 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.664 0.183 18507 6141 1 11 . 1 1 94 94 ILE C C 94 172.078 172.078 173.533 -1.455 18507 6142 1 11 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.214 -0.863 18507 6143 1 11 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.482 -0.391 18507 6144 1 11 . 1 1 94 94 ILE H H 94 9.282 9.282 9.367 -0.085 18507 6145 1 11 . 1 1 95 95 HIS N N 95 126.782 126.782 127.840 -1.058 18507 6146 1 11 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.032 0.078 18507 6147 1 11 . 1 1 95 95 HIS C C 95 174.655 174.655 173.817 0.838 18507 6148 1 11 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.939 -0.605 18507 6149 1 11 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.097 1.302 18507 6150 1 11 . 1 1 95 95 HIS H H 95 8.690 8.690 8.701 -0.011 18507 6151 1 11 . 1 1 96 96 VAL N N 96 128.616 128.616 126.106 2.510 18507 6152 1 11 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.260 -0.145 18507 6153 1 11 . 1 1 96 96 VAL C C 96 175.515 175.515 174.956 0.559 18507 6154 1 11 . 1 1 96 96 VAL CA C 96 62.502 62.502 62.380 0.122 18507 6155 1 11 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.034 -0.702 18507 6156 1 11 . 1 1 96 96 VAL H H 96 9.082 9.082 8.362 0.720 18507 6157 1 11 . 1 1 97 97 LYS N N 97 128.692 128.692 124.244 4.448 18507 6158 1 11 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.581 -0.031 18507 6159 1 11 . 1 1 97 97 LYS C C 97 176.019 176.019 175.264 0.755 18507 6160 1 11 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.235 0.856 18507 6161 1 11 . 1 1 97 97 LYS CB C 97 34.588 34.588 35.536 -0.948 18507 6162 1 11 . 1 1 97 97 LYS H H 97 8.708 8.708 8.377 0.331 18507 6163 1 11 . 1 1 98 98 LYS N N 98 122.635 122.635 120.706 1.929 18507 6164 1 11 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.511 -0.389 18507 6165 1 11 . 1 1 98 98 LYS C C 98 176.947 176.947 176.163 0.784 18507 6166 1 11 . 1 1 98 98 LYS CA C 98 57.232 57.232 56.339 0.893 18507 6167 1 11 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.551 -0.702 18507 6168 1 11 . 1 1 98 98 LYS H H 98 8.717 8.717 8.409 0.308 18507 6169 1 11 . 1 1 99 99 SER N N 99 116.737 116.737 115.804 0.933 18507 6170 1 11 . 1 1 99 99 SER HA H 99 4.357 4.357 4.697 -0.340 18507 6171 1 11 . 1 1 99 99 SER C C 99 174.335 174.335 173.809 0.526 18507 6172 1 11 . 1 1 99 99 SER CA C 99 58.240 58.240 59.187 -0.947 18507 6173 1 11 . 1 1 99 99 SER CB C 99 63.664 63.664 63.976 -0.312 18507 6174 1 11 . 1 1 99 99 SER H H 99 8.393 8.393 8.633 -0.240 18507 6175 1 11 . 1 1 100 100 ASP N N 100 122.287 122.287 121.204 1.083 18507 6176 1 11 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.706 -0.180 18507 6177 1 11 . 1 1 100 100 ASP C C 100 175.823 175.823 177.912 -2.089 18507 6178 1 11 . 1 1 100 100 ASP CA C 100 54.813 54.813 53.894 0.919 18507 6179 1 11 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.203 -0.265 18507 6180 1 11 . 1 1 100 100 ASP H H 100 8.288 8.288 8.607 -0.319 18507 6181 1 11 . 1 1 101 101 PHE N N 101 118.668 118.668 119.407 -0.739 18507 6182 1 11 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.458 0.117 18507 6183 1 11 . 1 1 101 101 PHE C C 101 175.279 175.279 175.673 -0.394 18507 6184 1 11 . 1 1 101 101 PHE CA C 101 57.462 57.462 59.609 -2.147 18507 6185 1 11 . 1 1 101 101 PHE CB C 101 39.557 39.557 38.236 1.321 18507 6186 1 11 . 1 1 101 101 PHE H H 101 7.923 7.923 8.156 -0.233 18507 6187 1 11 . 1 1 102 102 GLU N N 102 122.081 122.081 117.520 4.561 18507 6188 1 11 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.590 0.590 18507 6189 1 11 . 1 1 102 102 GLU C C 102 175.388 175.388 176.264 -0.876 18507 6190 1 11 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.292 -0.985 18507 6191 1 11 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.005 1.581 18507 6192 1 11 . 1 1 102 102 GLU H H 102 8.138 8.138 7.591 0.547 18507 6193 1 11 . 1 1 103 103 VAL N N 103 120.545 120.545 119.777 0.768 18507 6194 1 11 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.898 0.126 18507 6195 1 11 . 1 1 103 103 VAL C C 103 175.359 175.359 175.900 -0.541 18507 6196 1 11 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.506 0.167 18507 6197 1 11 . 1 1 103 103 VAL CB C 103 33.098 33.098 30.851 2.247 18507 6198 1 11 . 1 1 103 103 VAL H H 103 7.934 7.934 7.137 0.797 18507 6199 1 11 . 1 1 104 104 PHE N N 104 124.359 124.359 125.019 -0.660 18507 6200 1 11 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.661 0.034 18507 6201 1 11 . 1 1 104 104 PHE C C 104 174.530 174.530 176.092 -1.562 18507 6202 1 11 . 1 1 104 104 PHE CA C 104 57.140 57.140 57.751 -0.611 18507 6203 1 11 . 1 1 104 104 PHE CB C 104 39.964 39.964 38.968 0.996 18507 6204 1 11 . 1 1 104 104 PHE H H 104 8.340 8.340 8.289 0.051 18507 6205 1 12 . 1 1 2 2 ALA N N 2 129.609 129.609 123.686 5.923 18507 6206 1 12 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.442 -0.106 18507 6207 1 12 . 1 1 2 2 ALA C C 2 177.730 177.730 178.152 -0.422 18507 6208 1 12 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.285 0.305 18507 6209 1 12 . 1 1 2 2 ALA CB C 2 19.509 19.509 19.283 0.226 18507 6210 1 12 . 1 1 2 2 ALA H H 2 8.252 8.252 8.069 0.183 18507 6211 1 12 . 1 1 3 3 MET N N 3 119.597 119.597 120.743 -1.146 18507 6212 1 12 . 1 1 3 3 MET HA H 3 4.457 4.457 4.438 0.019 18507 6213 1 12 . 1 1 3 3 MET C C 3 176.640 176.640 176.115 0.525 18507 6214 1 12 . 1 1 3 3 MET CA C 3 55.433 55.433 54.945 0.488 18507 6215 1 12 . 1 1 3 3 MET CB C 3 32.141 32.141 30.298 1.843 18507 6216 1 12 . 1 1 3 3 MET H H 3 8.526 8.526 8.022 0.504 18507 6217 1 12 . 1 1 4 4 GLY N N 4 110.104 110.104 111.915 -1.811 18507 6218 1 12 . 1 1 4 4 GLY C C 4 173.846 173.846 172.357 1.489 18507 6219 1 12 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.687 0.602 18507 6220 1 12 . 1 1 4 4 GLY H H 4 8.388 8.388 8.203 0.185 18507 6221 1 12 . 1 1 5 5 ILE N N 5 120.177 120.177 121.149 -0.972 18507 6222 1 12 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.572 -0.430 18507 6223 1 12 . 1 1 5 5 ILE C C 5 176.245 176.245 174.843 1.402 18507 6224 1 12 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.433 0.273 18507 6225 1 12 . 1 1 5 5 ILE CB C 5 38.686 38.686 40.533 -1.847 18507 6226 1 12 . 1 1 5 5 ILE H H 5 7.995 7.995 8.066 -0.071 18507 6227 1 12 . 1 1 6 6 ARG N N 6 125.295 125.295 125.491 -0.196 18507 6228 1 12 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.726 -0.379 18507 6229 1 12 . 1 1 6 6 ARG C C 6 174.908 174.908 174.906 0.002 18507 6230 1 12 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.690 0.122 18507 6231 1 12 . 1 1 6 6 ARG CB C 6 30.829 30.829 30.930 -0.101 18507 6232 1 12 . 1 1 6 6 ARG H H 6 8.451 8.451 8.710 -0.259 18507 6233 1 12 . 1 1 7 7 ASN N N 7 125.979 125.979 117.456 8.523 18507 6234 1 12 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.896 -0.413 18507 6235 1 12 . 1 1 7 7 ASN C C 7 175.993 175.993 173.625 2.368 18507 6236 1 12 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.509 2.190 18507 6237 1 12 . 1 1 7 7 ASN CB C 7 40.744 40.744 40.858 -0.114 18507 6238 1 12 . 1 1 7 7 ASN H H 7 8.072 8.072 8.303 -0.231 18507 6239 1 12 . 1 1 8 8 SER N N 8 120.939 120.939 115.445 5.494 18507 6240 1 12 . 1 1 8 8 SER C C 8 174.402 174.402 174.059 0.343 18507 6241 1 12 . 1 1 8 8 SER CA C 8 58.678 58.678 57.894 0.784 18507 6242 1 12 . 1 1 8 8 SER CB C 8 63.735 63.735 64.897 -1.162 18507 6243 1 12 . 1 1 8 8 SER H H 8 8.363 8.363 8.479 -0.116 18507 6244 1 12 . 1 1 9 9 ASP N N 9 122.169 122.169 123.814 -1.645 18507 6245 1 12 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.603 0.009 18507 6246 1 12 . 1 1 9 9 ASP C C 9 176.302 176.302 176.206 0.096 18507 6247 1 12 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.342 0.325 18507 6248 1 12 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.056 0.036 18507 6249 1 12 . 1 1 9 9 ASP H H 9 8.334 8.334 8.679 -0.345 18507 6250 1 12 . 1 1 10 10 SER N N 10 115.330 115.330 117.277 -1.947 18507 6251 1 12 . 1 1 10 10 SER HA H 10 4.408 4.408 4.513 -0.105 18507 6252 1 12 . 1 1 10 10 SER C C 10 174.338 174.338 173.942 0.396 18507 6253 1 12 . 1 1 10 10 SER CA C 10 58.421 58.421 58.019 0.402 18507 6254 1 12 . 1 1 10 10 SER CB C 10 63.749 63.749 63.761 -0.012 18507 6255 1 12 . 1 1 10 10 SER H H 10 8.130 8.130 7.899 0.231 18507 6256 1 12 . 1 1 11 11 VAL N N 11 121.719 121.719 123.450 -1.731 18507 6257 1 12 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.199 -0.111 18507 6258 1 12 . 1 1 11 11 VAL C C 11 175.837 175.837 174.405 1.432 18507 6259 1 12 . 1 1 11 11 VAL CA C 11 61.972 61.972 62.632 -0.660 18507 6260 1 12 . 1 1 11 11 VAL CB C 11 32.508 32.508 34.268 -1.760 18507 6261 1 12 . 1 1 11 11 VAL H H 11 8.040 8.040 8.457 -0.417 18507 6262 1 12 . 1 1 12 12 LYS N N 12 126.544 126.544 124.664 1.880 18507 6263 1 12 . 1 1 12 12 LYS H H 12 8.349 8.349 8.399 -0.050 18507 6264 1 12 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.350 0.109 18507 6265 1 12 . 1 1 13 13 PRO C C 13 177.038 177.038 176.837 0.201 18507 6266 1 12 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.578 -0.710 18507 6267 1 12 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.676 0.506 18507 6268 1 12 . 1 1 14 14 THR N N 14 114.515 114.515 112.094 2.421 18507 6269 1 12 . 1 1 14 14 THR HA H 14 4.255 4.255 4.148 0.107 18507 6270 1 12 . 1 1 14 14 THR C C 14 174.477 174.477 174.808 -0.331 18507 6271 1 12 . 1 1 14 14 THR CA C 14 61.813 61.813 62.132 -0.319 18507 6272 1 12 . 1 1 14 14 THR CB C 14 69.675 69.675 69.396 0.279 18507 6273 1 12 . 1 1 14 14 THR H H 14 8.234 8.234 7.603 0.631 18507 6274 1 12 . 1 1 15 15 GLN N N 15 122.586 122.586 120.349 2.237 18507 6275 1 12 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.173 0.173 18507 6276 1 12 . 1 1 15 15 GLN C C 15 175.452 175.452 176.071 -0.619 18507 6277 1 12 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.058 -0.496 18507 6278 1 12 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.356 0.179 18507 6279 1 12 . 1 1 15 15 GLN H H 15 8.380 8.380 8.408 -0.028 18507 6280 1 12 . 1 1 16 16 GLN N N 16 122.137 122.137 119.440 2.697 18507 6281 1 12 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.383 -0.123 18507 6282 1 12 . 1 1 16 16 GLN C C 16 175.050 175.050 174.744 0.306 18507 6283 1 12 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.699 -0.157 18507 6284 1 12 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.204 0.522 18507 6285 1 12 . 1 1 16 16 GLN H H 16 8.457 8.457 8.572 -0.115 18507 6286 1 12 . 1 1 17 17 ALA N N 17 125.292 125.292 123.687 1.605 18507 6287 1 12 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.439 -0.128 18507 6288 1 12 . 1 1 17 17 ALA C C 17 176.628 176.628 175.828 0.800 18507 6289 1 12 . 1 1 17 17 ALA CA C 17 51.712 51.712 52.028 -0.316 18507 6290 1 12 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.794 -0.827 18507 6291 1 12 . 1 1 17 17 ALA H H 17 8.323 8.323 8.324 -0.001 18507 6292 1 12 . 1 1 18 18 ARG N N 18 122.106 122.106 121.268 0.838 18507 6293 1 12 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.674 -0.053 18507 6294 1 12 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.928 -0.702 18507 6295 1 12 . 1 1 18 18 ARG CB C 18 30.775 30.775 31.050 -0.275 18507 6296 1 12 . 1 1 18 18 ARG H H 18 8.591 8.591 8.583 0.008 18507 6297 1 12 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.454 0.130 18507 6298 1 12 . 1 1 19 19 PRO C C 19 176.098 176.098 176.208 -0.110 18507 6299 1 12 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.500 0.461 18507 6300 1 12 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.283 -0.138 18507 6301 1 12 . 1 1 20 20 THR N N 20 121.694 121.694 113.839 7.855 18507 6302 1 12 . 1 1 20 20 THR HA H 20 4.228 4.228 4.346 -0.118 18507 6303 1 12 . 1 1 20 20 THR C C 20 172.413 172.413 174.203 -1.790 18507 6304 1 12 . 1 1 20 20 THR CA C 20 62.891 62.891 60.255 2.636 18507 6305 1 12 . 1 1 20 20 THR CB C 20 71.036 71.036 70.213 0.823 18507 6306 1 12 . 1 1 20 20 THR H H 20 9.046 9.046 8.212 0.834 18507 6307 1 12 . 1 1 21 21 VAL N N 21 127.141 127.141 126.104 1.037 18507 6308 1 12 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.197 0.350 18507 6309 1 12 . 1 1 21 21 VAL C C 21 175.345 175.345 174.538 0.807 18507 6310 1 12 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.118 -0.338 18507 6311 1 12 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.334 0.925 18507 6312 1 12 . 1 1 21 21 VAL H H 21 8.572 8.572 8.310 0.262 18507 6313 1 12 . 1 1 22 22 ILE N N 22 130.341 130.341 127.207 3.134 18507 6314 1 12 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.462 -0.169 18507 6315 1 12 . 1 1 22 22 ILE C C 22 173.794 173.794 174.330 -0.536 18507 6316 1 12 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.853 -1.402 18507 6317 1 12 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.066 -2.402 18507 6318 1 12 . 1 1 22 22 ILE H H 22 8.913 8.913 8.297 0.616 18507 6319 1 12 . 1 1 23 23 ARG N N 23 125.596 125.596 125.663 -0.067 18507 6320 1 12 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.056 0.453 18507 6321 1 12 . 1 1 23 23 ARG C C 23 174.125 174.125 174.417 -0.292 18507 6322 1 12 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.206 -1.201 18507 6323 1 12 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.894 2.690 18507 6324 1 12 . 1 1 23 23 ARG H H 23 8.595 8.595 8.902 -0.307 18507 6325 1 12 . 1 1 24 24 TRP N N 24 123.124 123.124 127.955 -4.831 18507 6326 1 12 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.900 -0.113 18507 6327 1 12 . 1 1 24 24 TRP C C 24 177.208 177.208 173.781 3.427 18507 6328 1 12 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.503 -0.529 18507 6329 1 12 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.278 0.129 18507 6330 1 12 . 1 1 24 24 TRP H H 24 9.098 9.098 8.571 0.527 18507 6331 1 12 . 1 1 25 25 SER N N 25 123.623 123.623 120.976 2.647 18507 6332 1 12 . 1 1 25 25 SER HA H 25 4.827 4.827 4.638 0.189 18507 6333 1 12 . 1 1 25 25 SER CA C 25 58.442 58.442 57.113 1.329 18507 6334 1 12 . 1 1 25 25 SER CB C 25 63.993 63.993 64.770 -0.777 18507 6335 1 12 . 1 1 25 25 SER H H 25 8.837 8.837 7.945 0.892 18507 6336 1 12 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.418 -0.277 18507 6337 1 12 . 1 1 26 26 GLU C C 26 175.915 175.915 175.972 -0.057 18507 6338 1 12 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.834 -1.569 18507 6339 1 12 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.587 -1.303 18507 6340 1 12 . 1 1 27 27 GLY N N 27 109.186 109.186 107.876 1.310 18507 6341 1 12 . 1 1 27 27 GLY C C 27 173.380 173.380 174.713 -1.333 18507 6342 1 12 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.254 -0.622 18507 6343 1 12 . 1 1 27 27 GLY H H 27 8.434 8.434 8.798 -0.364 18507 6344 1 12 . 1 1 28 28 GLY N N 28 106.478 106.478 108.379 -1.901 18507 6345 1 12 . 1 1 28 28 GLY C C 28 172.572 172.572 175.209 -2.637 18507 6346 1 12 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.112 -0.415 18507 6347 1 12 . 1 1 28 28 GLY H H 28 7.948 7.948 7.937 0.011 18507 6348 1 12 . 1 1 29 29 LYS N N 29 120.742 120.742 118.462 2.280 18507 6349 1 12 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.525 0.090 18507 6350 1 12 . 1 1 29 29 LYS C C 29 177.173 177.173 176.872 0.301 18507 6351 1 12 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.859 1.092 18507 6352 1 12 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.462 0.373 18507 6353 1 12 . 1 1 29 29 LYS H H 29 10.077 10.077 8.362 1.715 18507 6354 1 12 . 1 1 30 30 GLU N N 30 121.578 121.578 117.853 3.725 18507 6355 1 12 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.387 -0.190 18507 6356 1 12 . 1 1 30 30 GLU C C 30 173.541 173.541 173.397 0.144 18507 6357 1 12 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.633 0.347 18507 6358 1 12 . 1 1 30 30 GLU CB C 30 32.473 32.473 32.145 0.328 18507 6359 1 12 . 1 1 30 30 GLU H H 30 8.810 8.810 7.775 1.035 18507 6360 1 12 . 1 1 31 31 VAL N N 31 124.182 124.182 121.719 2.463 18507 6361 1 12 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.507 0.033 18507 6362 1 12 . 1 1 31 31 VAL C C 31 173.552 173.552 173.904 -0.352 18507 6363 1 12 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.313 0.922 18507 6364 1 12 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.685 1.576 18507 6365 1 12 . 1 1 31 31 VAL H H 31 7.704 7.704 8.180 -0.476 18507 6366 1 12 . 1 1 32 32 PHE N N 32 123.930 123.930 124.374 -0.444 18507 6367 1 12 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.513 0.054 18507 6368 1 12 . 1 1 32 32 PHE C C 32 174.872 174.872 174.375 0.497 18507 6369 1 12 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.161 -1.176 18507 6370 1 12 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.918 0.431 18507 6371 1 12 . 1 1 32 32 PHE H H 32 8.856 8.856 8.071 0.785 18507 6372 1 12 . 1 1 33 33 ILE N N 33 116.493 116.493 120.790 -4.297 18507 6373 1 12 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.445 0.035 18507 6374 1 12 . 1 1 33 33 ILE C C 33 174.067 174.067 174.134 -0.067 18507 6375 1 12 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.244 0.265 18507 6376 1 12 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.787 1.507 18507 6377 1 12 . 1 1 33 33 ILE H H 33 9.316 9.316 9.055 0.261 18507 6378 1 12 . 1 1 34 34 SER N N 34 116.962 116.962 121.793 -4.831 18507 6379 1 12 . 1 1 34 34 SER HA H 34 4.496 4.496 4.772 -0.276 18507 6380 1 12 . 1 1 34 34 SER C C 34 170.691 170.691 171.801 -1.110 18507 6381 1 12 . 1 1 34 34 SER CA C 34 57.343 57.343 56.855 0.488 18507 6382 1 12 . 1 1 34 34 SER CB C 34 67.249 67.249 65.119 2.130 18507 6383 1 12 . 1 1 34 34 SER H H 34 8.518 8.518 8.581 -0.063 18507 6384 1 12 . 1 1 35 35 GLY N N 35 106.806 106.806 108.965 -2.159 18507 6385 1 12 . 1 1 35 35 GLY C C 35 172.451 172.451 172.297 0.154 18507 6386 1 12 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.451 1.610 18507 6387 1 12 . 1 1 35 35 GLY H H 35 7.200 7.200 7.051 0.149 18507 6388 1 12 . 1 1 36 36 SER N N 36 115.550 115.550 116.690 -1.140 18507 6389 1 12 . 1 1 36 36 SER HA H 36 3.388 3.388 4.432 -1.044 18507 6390 1 12 . 1 1 36 36 SER C C 36 177.094 177.094 176.965 0.129 18507 6391 1 12 . 1 1 36 36 SER CA C 36 60.882 60.882 61.171 -0.289 18507 6392 1 12 . 1 1 36 36 SER CB C 36 61.978 61.978 63.630 -1.652 18507 6393 1 12 . 1 1 36 36 SER H H 36 8.952 8.952 8.019 0.933 18507 6394 1 12 . 1 1 37 37 PHE N N 37 118.633 118.633 116.695 1.938 18507 6395 1 12 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.285 0.176 18507 6396 1 12 . 1 1 37 37 PHE C C 37 175.254 175.254 175.679 -0.425 18507 6397 1 12 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.386 -1.630 18507 6398 1 12 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.839 -0.076 18507 6399 1 12 . 1 1 37 37 PHE H H 37 6.475 6.475 8.065 -1.590 18507 6400 1 12 . 1 1 38 38 ASN N N 38 119.885 119.885 116.248 3.637 18507 6401 1 12 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.696 0.244 18507 6402 1 12 . 1 1 38 38 ASN C C 38 175.954 175.954 174.951 1.003 18507 6403 1 12 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.887 -0.606 18507 6404 1 12 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.788 -2.587 18507 6405 1 12 . 1 1 38 38 ASN H H 38 6.610 6.610 7.054 -0.444 18507 6406 1 12 . 1 1 39 39 ASN N N 39 117.264 117.264 118.403 -1.139 18507 6407 1 12 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.506 -0.196 18507 6408 1 12 . 1 1 39 39 ASN C C 39 173.171 173.171 174.882 -1.711 18507 6409 1 12 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.470 0.318 18507 6410 1 12 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.273 -0.279 18507 6411 1 12 . 1 1 39 39 ASN H H 39 7.822 7.822 7.793 0.029 18507 6412 1 12 . 1 1 40 40 TRP N N 40 113.463 113.463 114.543 -1.080 18507 6413 1 12 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.201 -0.200 18507 6414 1 12 . 1 1 40 40 TRP C C 40 177.457 177.457 175.569 1.888 18507 6415 1 12 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.864 -0.279 18507 6416 1 12 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.230 -1.443 18507 6417 1 12 . 1 1 40 40 TRP H H 40 8.300 8.300 7.734 0.566 18507 6418 1 12 . 1 1 41 41 SER N N 41 113.321 113.321 113.941 -0.620 18507 6419 1 12 . 1 1 41 41 SER HA H 41 4.216 4.216 4.619 -0.403 18507 6420 1 12 . 1 1 41 41 SER C C 41 174.913 174.913 174.208 0.705 18507 6421 1 12 . 1 1 41 41 SER CA C 41 60.460 60.460 58.794 1.665 18507 6422 1 12 . 1 1 41 41 SER CB C 41 64.591 64.591 64.530 0.061 18507 6423 1 12 . 1 1 41 41 SER H H 41 7.549 7.549 8.524 -0.975 18507 6424 1 12 . 1 1 42 42 THR N N 42 112.097 112.097 114.840 -2.743 18507 6425 1 12 . 1 1 42 42 THR HA H 42 4.576 4.576 4.352 0.224 18507 6426 1 12 . 1 1 42 42 THR C C 42 174.798 174.798 172.278 2.520 18507 6427 1 12 . 1 1 42 42 THR CA C 42 59.920 59.920 61.739 -1.819 18507 6428 1 12 . 1 1 42 42 THR CB C 42 71.457 71.457 70.212 1.245 18507 6429 1 12 . 1 1 42 42 THR H H 42 7.088 7.088 7.719 -0.631 18507 6430 1 12 . 1 1 43 43 LYS N N 43 122.104 122.104 126.336 -4.232 18507 6431 1 12 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.481 0.191 18507 6432 1 12 . 1 1 43 43 LYS C C 43 174.839 174.839 176.139 -1.300 18507 6433 1 12 . 1 1 43 43 LYS CA C 43 55.293 55.293 55.259 0.034 18507 6434 1 12 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.345 -0.007 18507 6435 1 12 . 1 1 43 43 LYS H H 43 8.466 8.466 8.305 0.161 18507 6436 1 12 . 1 1 44 44 ILE N N 44 128.655 128.655 127.308 1.347 18507 6437 1 12 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.536 0.092 18507 6438 1 12 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.280 0.292 18507 6439 1 12 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.702 1.402 18507 6440 1 12 . 1 1 44 44 ILE H H 44 9.596 9.596 9.018 0.578 18507 6441 1 12 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.412 -0.107 18507 6442 1 12 . 1 1 45 45 PRO C C 45 174.315 174.315 176.066 -1.751 18507 6443 1 12 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.571 0.160 18507 6444 1 12 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.319 -0.073 18507 6445 1 12 . 1 1 46 46 LEU N N 46 122.198 122.198 125.651 -3.453 18507 6446 1 12 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.557 -0.044 18507 6447 1 12 . 1 1 46 46 LEU CA C 46 55.553 55.553 54.087 1.466 18507 6448 1 12 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.828 -0.018 18507 6449 1 12 . 1 1 46 46 LEU H H 46 8.157 8.157 7.461 0.696 18507 6450 1 12 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.906 0.444 18507 6451 1 12 . 1 1 47 47 ILE C C 47 175.903 175.903 175.903 0.000 18507 6452 1 12 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.637 -2.223 18507 6453 1 12 . 1 1 47 47 ILE CB C 47 39.396 39.396 38.166 1.230 18507 6454 1 12 . 1 1 48 48 LYS N N 48 128.033 128.033 128.640 -0.607 18507 6455 1 12 . 1 1 48 48 LYS HA H 48 3.906 3.906 4.093 -0.187 18507 6456 1 12 . 1 1 48 48 LYS C C 48 176.252 176.252 175.987 0.265 18507 6457 1 12 . 1 1 48 48 LYS CA C 48 56.702 56.702 57.353 -0.651 18507 6458 1 12 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.972 -0.376 18507 6459 1 12 . 1 1 48 48 LYS H H 48 8.661 8.661 8.428 0.233 18507 6460 1 12 . 1 1 49 49 SER N N 49 122.194 122.194 118.617 3.577 18507 6461 1 12 . 1 1 49 49 SER HA H 49 4.367 4.367 4.701 -0.334 18507 6462 1 12 . 1 1 49 49 SER CA C 49 56.282 56.282 56.465 -0.182 18507 6463 1 12 . 1 1 49 49 SER CB C 49 62.849 62.849 64.596 -1.747 18507 6464 1 12 . 1 1 49 49 SER H H 49 8.638 8.638 8.212 0.426 18507 6465 1 12 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.545 -0.503 18507 6466 1 12 . 1 1 50 50 HIS CA C 50 57.984 57.984 57.570 0.414 18507 6467 1 12 . 1 1 50 50 HIS CB C 50 27.897 27.897 30.186 -2.289 18507 6468 1 12 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.542 0.173 18507 6469 1 12 . 1 1 51 51 ASN C C 51 174.091 174.091 174.013 0.078 18507 6470 1 12 . 1 1 51 51 ASN CA C 51 53.776 53.776 53.783 -0.007 18507 6471 1 12 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.343 -0.209 18507 6472 1 12 . 1 1 52 52 ASP N N 52 119.149 119.149 114.933 4.216 18507 6473 1 12 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.361 0.601 18507 6474 1 12 . 1 1 52 52 ASP C C 52 174.069 174.069 174.050 0.019 18507 6475 1 12 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.210 0.334 18507 6476 1 12 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.083 1.473 18507 6477 1 12 . 1 1 52 52 ASP H H 52 8.031 8.031 7.429 0.602 18507 6478 1 12 . 1 1 53 53 PHE N N 53 118.169 118.169 117.205 0.964 18507 6479 1 12 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.795 0.355 18507 6480 1 12 . 1 1 53 53 PHE C C 53 175.583 175.583 176.098 -0.515 18507 6481 1 12 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.143 -0.771 18507 6482 1 12 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.365 1.526 18507 6483 1 12 . 1 1 53 53 PHE H H 53 8.534 8.534 8.144 0.390 18507 6484 1 12 . 1 1 54 54 VAL N N 54 118.983 118.983 111.963 7.020 18507 6485 1 12 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.897 0.428 18507 6486 1 12 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.689 0.445 18507 6487 1 12 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.306 0.443 18507 6488 1 12 . 1 1 54 54 VAL H H 54 9.324 9.324 8.059 1.265 18507 6489 1 12 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.795 -0.088 18507 6490 1 12 . 1 1 55 55 ALA C C 55 174.786 174.786 175.424 -0.638 18507 6491 1 12 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.758 0.129 18507 6492 1 12 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.568 -0.880 18507 6493 1 12 . 1 1 56 56 ILE N N 56 120.457 120.457 120.506 -0.049 18507 6494 1 12 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.386 0.166 18507 6495 1 12 . 1 1 56 56 ILE C C 56 175.419 175.419 174.440 0.979 18507 6496 1 12 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.789 1.133 18507 6497 1 12 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.522 -0.031 18507 6498 1 12 . 1 1 56 56 ILE H H 56 8.239 8.239 8.632 -0.393 18507 6499 1 12 . 1 1 57 57 LEU N N 57 127.392 127.392 123.060 4.332 18507 6500 1 12 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.670 -0.164 18507 6501 1 12 . 1 1 57 57 LEU C C 57 175.108 175.108 174.893 0.215 18507 6502 1 12 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.485 0.257 18507 6503 1 12 . 1 1 57 57 LEU CB C 57 45.170 45.170 45.858 -0.688 18507 6504 1 12 . 1 1 57 57 LEU H H 57 8.828 8.828 7.759 1.069 18507 6505 1 12 . 1 1 58 58 ASP N N 58 124.255 124.255 122.247 2.008 18507 6506 1 12 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.702 -0.074 18507 6507 1 12 . 1 1 58 58 ASP C C 58 175.066 175.066 175.833 -0.767 18507 6508 1 12 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.856 -1.915 18507 6509 1 12 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.693 -0.986 18507 6510 1 12 . 1 1 58 58 ASP H H 58 8.571 8.571 8.376 0.195 18507 6511 1 12 . 1 1 59 59 LEU N N 59 124.092 124.092 125.269 -1.177 18507 6512 1 12 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.810 -0.275 18507 6513 1 12 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.246 -0.373 18507 6514 1 12 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.538 -0.505 18507 6515 1 12 . 1 1 59 59 LEU H H 59 7.681 7.681 8.130 -0.449 18507 6516 1 12 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.497 0.104 18507 6517 1 12 . 1 1 60 60 PRO C C 60 175.599 175.599 176.061 -0.462 18507 6518 1 12 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.112 -0.630 18507 6519 1 12 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.638 0.030 18507 6520 1 12 . 1 1 61 61 GLU N N 61 119.164 119.164 121.640 -2.476 18507 6521 1 12 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.941 -0.082 18507 6522 1 12 . 1 1 61 61 GLU C C 61 176.121 176.121 175.883 0.238 18507 6523 1 12 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.664 -0.206 18507 6524 1 12 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.152 1.097 18507 6525 1 12 . 1 1 61 61 GLU H H 61 8.500 8.500 8.568 -0.068 18507 6526 1 12 . 1 1 62 62 GLY N N 62 111.529 111.529 115.165 -3.636 18507 6527 1 12 . 1 1 62 62 GLY C C 62 171.313 171.313 171.661 -0.348 18507 6528 1 12 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.162 -1.693 18507 6529 1 12 . 1 1 62 62 GLY H H 62 8.845 8.845 8.331 0.514 18507 6530 1 12 . 1 1 63 63 GLU N N 63 119.100 119.100 121.948 -2.848 18507 6531 1 12 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.779 0.003 18507 6532 1 12 . 1 1 63 63 GLU C C 63 175.530 175.530 174.654 0.876 18507 6533 1 12 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.637 0.341 18507 6534 1 12 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.236 -0.853 18507 6535 1 12 . 1 1 63 63 GLU H H 63 8.015 8.015 8.256 -0.241 18507 6536 1 12 . 1 1 64 64 HIS N N 64 121.786 121.786 121.454 0.332 18507 6537 1 12 . 1 1 64 64 HIS HA H 64 4.817 4.817 4.975 -0.158 18507 6538 1 12 . 1 1 64 64 HIS C C 64 174.358 174.358 173.144 1.214 18507 6539 1 12 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.265 0.705 18507 6540 1 12 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.521 0.588 18507 6541 1 12 . 1 1 64 64 HIS H H 64 8.830 8.830 9.131 -0.301 18507 6542 1 12 . 1 1 65 65 GLN N N 65 121.667 121.667 118.164 3.503 18507 6543 1 12 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.818 0.943 18507 6544 1 12 . 1 1 65 65 GLN C C 65 175.833 175.833 174.567 1.266 18507 6545 1 12 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.038 -1.205 18507 6546 1 12 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.605 0.660 18507 6547 1 12 . 1 1 65 65 GLN H H 65 8.637 8.637 8.936 -0.299 18507 6548 1 12 . 1 1 66 66 TYR N N 66 116.908 116.908 120.052 -3.144 18507 6549 1 12 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.262 -0.087 18507 6550 1 12 . 1 1 66 66 TYR C C 66 171.751 171.751 173.834 -2.083 18507 6551 1 12 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.786 2.197 18507 6552 1 12 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.744 -1.014 18507 6553 1 12 . 1 1 66 66 TYR H H 66 8.894 8.894 7.604 1.290 18507 6554 1 12 . 1 1 67 67 LYS N N 67 118.307 118.307 118.108 0.199 18507 6555 1 12 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.958 -0.325 18507 6556 1 12 . 1 1 67 67 LYS C C 67 173.317 173.317 175.024 -1.707 18507 6557 1 12 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.885 1.991 18507 6558 1 12 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.921 0.279 18507 6559 1 12 . 1 1 67 67 LYS H H 67 8.927 8.927 8.422 0.505 18507 6560 1 12 . 1 1 68 68 PHE N N 68 118.691 118.691 122.510 -3.819 18507 6561 1 12 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.246 0.285 18507 6562 1 12 . 1 1 68 68 PHE C C 68 173.861 173.861 175.498 -1.637 18507 6563 1 12 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.427 0.521 18507 6564 1 12 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.060 0.212 18507 6565 1 12 . 1 1 68 68 PHE H H 68 8.436 8.436 8.294 0.142 18507 6566 1 12 . 1 1 69 69 PHE N N 69 125.718 125.718 123.676 2.042 18507 6567 1 12 . 1 1 69 69 PHE HA H 69 4.723 4.723 5.038 -0.315 18507 6568 1 12 . 1 1 69 69 PHE C C 69 174.574 174.574 173.195 1.379 18507 6569 1 12 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.758 -0.922 18507 6570 1 12 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.930 -0.774 18507 6571 1 12 . 1 1 69 69 PHE H H 69 9.000 9.000 8.530 0.470 18507 6572 1 12 . 1 1 70 70 VAL N N 70 126.808 126.808 125.197 1.611 18507 6573 1 12 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.648 -0.325 18507 6574 1 12 . 1 1 70 70 VAL C C 70 175.641 175.641 175.572 0.069 18507 6575 1 12 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.548 0.960 18507 6576 1 12 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.563 -1.093 18507 6577 1 12 . 1 1 70 70 VAL H H 70 8.688 8.688 7.827 0.861 18507 6578 1 12 . 1 1 71 71 ASP N N 71 128.747 128.747 125.506 3.241 18507 6579 1 12 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.227 0.008 18507 6580 1 12 . 1 1 71 71 ASP C C 71 176.119 176.119 176.445 -0.326 18507 6581 1 12 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.828 0.821 18507 6582 1 12 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.049 -0.420 18507 6583 1 12 . 1 1 71 71 ASP H H 71 8.890 8.890 8.999 -0.109 18507 6584 1 12 . 1 1 72 72 GLY N N 72 100.856 100.856 104.347 -3.491 18507 6585 1 12 . 1 1 72 72 GLY C C 72 173.149 173.149 173.069 0.080 18507 6586 1 12 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.324 -0.069 18507 6587 1 12 . 1 1 72 72 GLY H H 72 7.437 7.437 8.496 -1.059 18507 6588 1 12 . 1 1 73 73 GLN N N 73 117.716 117.716 113.453 4.263 18507 6589 1 12 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.353 0.127 18507 6590 1 12 . 1 1 73 73 GLN C C 73 173.981 173.981 172.921 1.060 18507 6591 1 12 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.009 0.276 18507 6592 1 12 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.603 1.307 18507 6593 1 12 . 1 1 73 73 GLN H H 73 6.923 6.923 6.302 0.621 18507 6594 1 12 . 1 1 74 74 TRP N N 74 123.738 123.738 121.121 2.617 18507 6595 1 12 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.093 0.720 18507 6596 1 12 . 1 1 74 74 TRP C C 74 177.239 177.239 177.074 0.165 18507 6597 1 12 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.316 -0.528 18507 6598 1 12 . 1 1 74 74 TRP CB C 74 29.918 29.918 30.020 -0.102 18507 6599 1 12 . 1 1 74 74 TRP H H 74 8.836 8.836 8.660 0.176 18507 6600 1 12 . 1 1 75 75 VAL N N 75 121.900 121.900 121.166 0.734 18507 6601 1 12 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.774 0.212 18507 6602 1 12 . 1 1 75 75 VAL C C 75 172.903 172.903 173.940 -1.037 18507 6603 1 12 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.285 1.340 18507 6604 1 12 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.733 0.921 18507 6605 1 12 . 1 1 75 75 VAL H H 75 10.049 10.049 8.710 1.339 18507 6606 1 12 . 1 1 76 76 HIS N N 76 119.400 119.400 115.901 3.499 18507 6607 1 12 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.250 0.328 18507 6608 1 12 . 1 1 76 76 HIS C C 76 173.084 173.084 173.711 -0.627 18507 6609 1 12 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.358 -0.097 18507 6610 1 12 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.823 -0.016 18507 6611 1 12 . 1 1 76 76 HIS H H 76 7.758 7.758 8.078 -0.320 18507 6612 1 12 . 1 1 77 77 ASP N N 77 121.057 121.057 121.122 -0.065 18507 6613 1 12 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.151 -0.047 18507 6614 1 12 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.052 0.412 18507 6615 1 12 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.357 -0.088 18507 6616 1 12 . 1 1 77 77 ASP H H 77 10.717 10.717 9.092 1.625 18507 6617 1 12 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.577 -0.042 18507 6618 1 12 . 1 1 78 78 PRO C C 78 177.387 177.387 177.355 0.032 18507 6619 1 12 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.253 -0.656 18507 6620 1 12 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.410 -0.084 18507 6621 1 12 . 1 1 79 79 SER N N 79 116.058 116.058 113.438 2.620 18507 6622 1 12 . 1 1 79 79 SER HA H 79 4.477 4.477 4.451 0.026 18507 6623 1 12 . 1 1 79 79 SER C C 79 173.819 173.819 174.922 -1.103 18507 6624 1 12 . 1 1 79 79 SER CA C 79 59.369 59.369 59.192 0.177 18507 6625 1 12 . 1 1 79 79 SER CB C 79 63.875 63.875 63.449 0.426 18507 6626 1 12 . 1 1 79 79 SER H H 79 8.853 8.853 8.398 0.455 18507 6627 1 12 . 1 1 80 80 GLU N N 80 122.620 122.620 120.536 2.084 18507 6628 1 12 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.662 0.297 18507 6629 1 12 . 1 1 80 80 GLU CA C 80 53.401 53.401 54.131 -0.730 18507 6630 1 12 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.200 0.420 18507 6631 1 12 . 1 1 80 80 GLU H H 80 7.332 7.332 7.439 -0.107 18507 6632 1 12 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.464 -0.025 18507 6633 1 12 . 1 1 81 81 PRO C C 81 177.020 177.020 175.858 1.162 18507 6634 1 12 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.018 0.678 18507 6635 1 12 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.122 -1.903 18507 6636 1 12 . 1 1 82 82 VAL N N 82 114.720 114.720 117.185 -2.465 18507 6637 1 12 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.923 0.544 18507 6638 1 12 . 1 1 82 82 VAL C C 82 175.787 175.787 174.825 0.962 18507 6639 1 12 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.632 -1.033 18507 6640 1 12 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.694 3.064 18507 6641 1 12 . 1 1 82 82 VAL H H 82 8.221 8.221 8.004 0.217 18507 6642 1 12 . 1 1 83 83 VAL N N 83 117.999 117.999 122.547 -4.548 18507 6643 1 12 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.456 -0.046 18507 6644 1 12 . 1 1 83 83 VAL C C 83 173.384 173.384 174.372 -0.988 18507 6645 1 12 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.382 -0.849 18507 6646 1 12 . 1 1 83 83 VAL CB C 83 35.305 35.305 35.398 -0.093 18507 6647 1 12 . 1 1 83 83 VAL H H 83 8.898 8.898 8.905 -0.007 18507 6648 1 12 . 1 1 84 84 THR N N 84 120.469 120.469 123.267 -2.798 18507 6649 1 12 . 1 1 84 84 THR HA H 84 4.751 4.751 4.384 0.367 18507 6650 1 12 . 1 1 84 84 THR C C 84 174.975 174.975 174.114 0.861 18507 6651 1 12 . 1 1 84 84 THR CA C 84 61.446 61.446 62.727 -1.281 18507 6652 1 12 . 1 1 84 84 THR CB C 84 68.959 68.959 68.614 0.345 18507 6653 1 12 . 1 1 84 84 THR H H 84 8.309 8.309 8.336 -0.027 18507 6654 1 12 . 1 1 85 85 SER N N 85 123.544 123.544 121.953 1.591 18507 6655 1 12 . 1 1 85 85 SER HA H 85 4.533 4.533 4.230 0.303 18507 6656 1 12 . 1 1 85 85 SER CA C 85 57.027 57.027 58.330 -1.303 18507 6657 1 12 . 1 1 85 85 SER CB C 85 65.264 65.264 64.734 0.530 18507 6658 1 12 . 1 1 85 85 SER H H 85 9.137 9.137 8.397 0.740 18507 6659 1 12 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.173 -0.081 18507 6660 1 12 . 1 1 86 86 GLN C C 86 176.451 176.451 176.122 0.329 18507 6661 1 12 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.004 0.066 18507 6662 1 12 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.302 -0.167 18507 6663 1 12 . 1 1 87 87 LEU N N 87 117.032 117.032 119.332 -2.300 18507 6664 1 12 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.462 -0.203 18507 6665 1 12 . 1 1 87 87 LEU C C 87 177.470 177.470 177.384 0.086 18507 6666 1 12 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.298 0.352 18507 6667 1 12 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.876 0.800 18507 6668 1 12 . 1 1 87 87 LEU H H 87 7.692 7.692 7.860 -0.168 18507 6669 1 12 . 1 1 88 88 GLY N N 88 107.770 107.770 108.590 -0.820 18507 6670 1 12 . 1 1 88 88 GLY C C 88 174.029 174.029 174.368 -0.339 18507 6671 1 12 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.758 -0.496 18507 6672 1 12 . 1 1 88 88 GLY H H 88 7.932 7.932 8.013 -0.081 18507 6673 1 12 . 1 1 89 89 THR N N 89 112.596 112.596 113.994 -1.398 18507 6674 1 12 . 1 1 89 89 THR HA H 89 4.259 4.259 4.518 -0.259 18507 6675 1 12 . 1 1 89 89 THR C C 89 172.837 172.837 174.508 -1.671 18507 6676 1 12 . 1 1 89 89 THR CA C 89 60.743 60.743 60.270 0.473 18507 6677 1 12 . 1 1 89 89 THR CB C 89 69.845 69.845 69.317 0.528 18507 6678 1 12 . 1 1 89 89 THR H H 89 7.148 7.148 7.313 -0.165 18507 6679 1 12 . 1 1 90 90 ILE N N 90 123.927 123.927 127.780 -3.853 18507 6680 1 12 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.126 0.284 18507 6681 1 12 . 1 1 90 90 ILE C C 90 175.007 175.007 175.280 -0.273 18507 6682 1 12 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.963 -0.412 18507 6683 1 12 . 1 1 90 90 ILE CB C 90 38.935 38.935 37.005 1.930 18507 6684 1 12 . 1 1 90 90 ILE H H 90 8.514 8.514 8.713 -0.199 18507 6685 1 12 . 1 1 91 91 ASN N N 91 123.450 123.450 121.427 2.023 18507 6686 1 12 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.873 0.414 18507 6687 1 12 . 1 1 91 91 ASN C C 91 175.916 175.916 173.498 2.418 18507 6688 1 12 . 1 1 91 91 ASN CA C 91 50.976 50.976 52.036 -1.060 18507 6689 1 12 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.293 0.883 18507 6690 1 12 . 1 1 91 91 ASN H H 91 8.497 8.497 8.427 0.070 18507 6691 1 12 . 1 1 92 92 ASN N N 92 115.675 115.675 117.782 -2.107 18507 6692 1 12 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.736 0.875 18507 6693 1 12 . 1 1 92 92 ASN C C 92 173.765 173.765 173.702 0.063 18507 6694 1 12 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.837 0.975 18507 6695 1 12 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.070 2.673 18507 6696 1 12 . 1 1 92 92 ASN H H 92 8.721 8.721 8.445 0.276 18507 6697 1 12 . 1 1 93 93 LEU N N 93 120.001 120.001 119.519 0.482 18507 6698 1 12 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.715 0.622 18507 6699 1 12 . 1 1 93 93 LEU C C 93 175.864 175.864 174.923 0.941 18507 6700 1 12 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.286 -0.764 18507 6701 1 12 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.442 1.681 18507 6702 1 12 . 1 1 93 93 LEU H H 93 7.661 7.661 8.183 -0.522 18507 6703 1 12 . 1 1 94 94 ILE N N 94 124.682 124.682 124.595 0.087 18507 6704 1 12 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.531 0.316 18507 6705 1 12 . 1 1 94 94 ILE C C 94 172.078 172.078 173.122 -1.044 18507 6706 1 12 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.172 -0.821 18507 6707 1 12 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.549 -0.458 18507 6708 1 12 . 1 1 94 94 ILE H H 94 9.282 9.282 9.208 0.074 18507 6709 1 12 . 1 1 95 95 HIS N N 95 126.782 126.782 126.100 0.682 18507 6710 1 12 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.140 -0.030 18507 6711 1 12 . 1 1 95 95 HIS C C 95 174.655 174.655 174.297 0.358 18507 6712 1 12 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.654 -0.320 18507 6713 1 12 . 1 1 95 95 HIS CB C 95 31.399 31.399 31.273 0.126 18507 6714 1 12 . 1 1 95 95 HIS H H 95 8.690 8.690 8.516 0.174 18507 6715 1 12 . 1 1 96 96 VAL N N 96 128.616 128.616 125.788 2.828 18507 6716 1 12 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.346 -0.231 18507 6717 1 12 . 1 1 96 96 VAL C C 96 175.515 175.515 175.527 -0.012 18507 6718 1 12 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.381 1.121 18507 6719 1 12 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.391 -1.059 18507 6720 1 12 . 1 1 96 96 VAL H H 96 9.082 9.082 8.773 0.309 18507 6721 1 12 . 1 1 97 97 LYS N N 97 128.692 128.692 125.957 2.735 18507 6722 1 12 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.582 -0.032 18507 6723 1 12 . 1 1 97 97 LYS C C 97 176.019 176.019 175.596 0.423 18507 6724 1 12 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.954 0.137 18507 6725 1 12 . 1 1 97 97 LYS CB C 97 34.588 34.588 35.095 -0.507 18507 6726 1 12 . 1 1 97 97 LYS H H 97 8.708 8.708 8.352 0.356 18507 6727 1 12 . 1 1 98 98 LYS N N 98 122.635 122.635 118.976 3.659 18507 6728 1 12 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.599 -0.477 18507 6729 1 12 . 1 1 98 98 LYS C C 98 176.947 176.947 176.668 0.279 18507 6730 1 12 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.587 1.645 18507 6731 1 12 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.788 -0.939 18507 6732 1 12 . 1 1 98 98 LYS H H 98 8.717 8.717 8.085 0.632 18507 6733 1 12 . 1 1 99 99 SER N N 99 116.737 116.737 116.288 0.449 18507 6734 1 12 . 1 1 99 99 SER HA H 99 4.357 4.357 4.736 -0.379 18507 6735 1 12 . 1 1 99 99 SER C C 99 174.335 174.335 174.008 0.327 18507 6736 1 12 . 1 1 99 99 SER CA C 99 58.240 58.240 57.093 1.147 18507 6737 1 12 . 1 1 99 99 SER CB C 99 63.664 63.664 63.278 0.386 18507 6738 1 12 . 1 1 99 99 SER H H 99 8.393 8.393 8.823 -0.430 18507 6739 1 12 . 1 1 100 100 ASP N N 100 122.287 122.287 120.529 1.758 18507 6740 1 12 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.696 -0.170 18507 6741 1 12 . 1 1 100 100 ASP C C 100 175.823 175.823 175.585 0.238 18507 6742 1 12 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.364 0.449 18507 6743 1 12 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.121 -0.183 18507 6744 1 12 . 1 1 100 100 ASP H H 100 8.288 8.288 8.252 0.036 18507 6745 1 12 . 1 1 101 101 PHE N N 101 118.668 118.668 119.369 -0.701 18507 6746 1 12 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.131 0.444 18507 6747 1 12 . 1 1 101 101 PHE C C 101 175.279 175.279 176.356 -1.077 18507 6748 1 12 . 1 1 101 101 PHE CA C 101 57.462 57.462 59.981 -2.519 18507 6749 1 12 . 1 1 101 101 PHE CB C 101 39.557 39.557 40.289 -0.732 18507 6750 1 12 . 1 1 101 101 PHE H H 101 7.923 7.923 7.497 0.426 18507 6751 1 12 . 1 1 102 102 GLU N N 102 122.081 122.081 118.568 3.513 18507 6752 1 12 . 1 1 102 102 GLU HA H 102 4.180 4.180 4.101 0.079 18507 6753 1 12 . 1 1 102 102 GLU C C 102 175.388 175.388 176.566 -1.178 18507 6754 1 12 . 1 1 102 102 GLU CA C 102 56.308 56.308 58.565 -2.257 18507 6755 1 12 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.460 1.125 18507 6756 1 12 . 1 1 102 102 GLU H H 102 8.138 8.138 8.731 -0.593 18507 6757 1 12 . 1 1 103 103 VAL N N 103 120.545 120.545 119.714 0.831 18507 6758 1 12 . 1 1 103 103 VAL HA H 103 4.024 4.024 4.005 0.019 18507 6759 1 12 . 1 1 103 103 VAL C C 103 175.359 175.359 175.231 0.128 18507 6760 1 12 . 1 1 103 103 VAL CA C 103 61.673 61.673 62.410 -0.737 18507 6761 1 12 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.042 1.056 18507 6762 1 12 . 1 1 103 103 VAL H H 103 7.934 7.934 7.534 0.400 18507 6763 1 12 . 1 1 104 104 PHE N N 104 124.359 124.359 124.661 -0.302 18507 6764 1 12 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.433 0.262 18507 6765 1 12 . 1 1 104 104 PHE C C 104 174.530 174.530 176.391 -1.861 18507 6766 1 12 . 1 1 104 104 PHE CA C 104 57.140 57.140 59.041 -1.901 18507 6767 1 12 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.852 0.112 18507 6768 1 12 . 1 1 104 104 PHE H H 104 8.340 8.340 8.782 -0.442 18507 6769 1 13 . 1 1 2 2 ALA N N 2 129.609 129.609 123.180 6.429 18507 6770 1 13 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.746 -0.410 18507 6771 1 13 . 1 1 2 2 ALA C C 2 177.730 177.730 176.441 1.289 18507 6772 1 13 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.635 -0.045 18507 6773 1 13 . 1 1 2 2 ALA CB C 2 19.509 19.509 19.961 -0.452 18507 6774 1 13 . 1 1 2 2 ALA H H 2 8.252 8.252 8.123 0.129 18507 6775 1 13 . 1 1 3 3 MET N N 3 119.597 119.597 120.892 -1.295 18507 6776 1 13 . 1 1 3 3 MET HA H 3 4.457 4.457 4.618 -0.161 18507 6777 1 13 . 1 1 3 3 MET C C 3 176.640 176.640 175.831 0.809 18507 6778 1 13 . 1 1 3 3 MET CA C 3 55.433 55.433 56.332 -0.899 18507 6779 1 13 . 1 1 3 3 MET CB C 3 32.141 32.141 34.304 -2.163 18507 6780 1 13 . 1 1 3 3 MET H H 3 8.526 8.526 8.444 0.082 18507 6781 1 13 . 1 1 4 4 GLY N N 4 110.104 110.104 112.629 -2.525 18507 6782 1 13 . 1 1 4 4 GLY C C 4 173.846 173.846 172.659 1.187 18507 6783 1 13 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.994 0.295 18507 6784 1 13 . 1 1 4 4 GLY H H 4 8.388 8.388 8.309 0.079 18507 6785 1 13 . 1 1 5 5 ILE N N 5 120.177 120.177 122.457 -2.280 18507 6786 1 13 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.311 -0.169 18507 6787 1 13 . 1 1 5 5 ILE C C 5 176.245 176.245 174.206 2.039 18507 6788 1 13 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.934 -0.228 18507 6789 1 13 . 1 1 5 5 ILE CB C 5 38.686 38.686 39.600 -0.914 18507 6790 1 13 . 1 1 5 5 ILE H H 5 7.995 7.995 8.055 -0.060 18507 6791 1 13 . 1 1 6 6 ARG N N 6 125.295 125.295 125.421 -0.126 18507 6792 1 13 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.770 -0.423 18507 6793 1 13 . 1 1 6 6 ARG C C 6 174.908 174.908 174.762 0.146 18507 6794 1 13 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.595 0.217 18507 6795 1 13 . 1 1 6 6 ARG CB C 6 30.829 30.829 32.172 -1.343 18507 6796 1 13 . 1 1 6 6 ARG H H 6 8.451 8.451 8.523 -0.072 18507 6797 1 13 . 1 1 7 7 ASN N N 7 125.979 125.979 118.549 7.430 18507 6798 1 13 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.951 -0.468 18507 6799 1 13 . 1 1 7 7 ASN C C 7 175.993 175.993 173.605 2.388 18507 6800 1 13 . 1 1 7 7 ASN CA C 7 54.699 54.699 53.110 1.589 18507 6801 1 13 . 1 1 7 7 ASN CB C 7 40.744 40.744 40.015 0.729 18507 6802 1 13 . 1 1 7 7 ASN H H 7 8.072 8.072 8.442 -0.370 18507 6803 1 13 . 1 1 8 8 SER N N 8 120.939 120.939 116.075 4.864 18507 6804 1 13 . 1 1 8 8 SER C C 8 174.402 174.402 173.139 1.263 18507 6805 1 13 . 1 1 8 8 SER CA C 8 58.678 58.678 57.524 1.154 18507 6806 1 13 . 1 1 8 8 SER CB C 8 63.735 63.735 66.095 -2.360 18507 6807 1 13 . 1 1 8 8 SER H H 8 8.363 8.363 8.325 0.038 18507 6808 1 13 . 1 1 9 9 ASP N N 9 122.169 122.169 121.430 0.739 18507 6809 1 13 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.691 -0.079 18507 6810 1 13 . 1 1 9 9 ASP C C 9 176.302 176.302 175.572 0.730 18507 6811 1 13 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.667 0.000 18507 6812 1 13 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.072 0.020 18507 6813 1 13 . 1 1 9 9 ASP H H 9 8.334 8.334 8.869 -0.535 18507 6814 1 13 . 1 1 10 10 SER N N 10 115.330 115.330 115.558 -0.228 18507 6815 1 13 . 1 1 10 10 SER HA H 10 4.408 4.408 4.252 0.156 18507 6816 1 13 . 1 1 10 10 SER C C 10 174.338 174.338 173.182 1.156 18507 6817 1 13 . 1 1 10 10 SER CA C 10 58.421 58.421 58.873 -0.452 18507 6818 1 13 . 1 1 10 10 SER CB C 10 63.749 63.749 62.754 0.995 18507 6819 1 13 . 1 1 10 10 SER H H 10 8.130 8.130 8.293 -0.163 18507 6820 1 13 . 1 1 11 11 VAL N N 11 121.719 121.719 115.426 6.293 18507 6821 1 13 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.361 -0.273 18507 6822 1 13 . 1 1 11 11 VAL C C 11 175.837 175.837 174.317 1.520 18507 6823 1 13 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.867 0.104 18507 6824 1 13 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.412 -0.904 18507 6825 1 13 . 1 1 11 11 VAL H H 11 8.040 8.040 7.709 0.331 18507 6826 1 13 . 1 1 12 12 LYS N N 12 126.544 126.544 125.850 0.694 18507 6827 1 13 . 1 1 12 12 LYS H H 12 8.349 8.349 8.397 -0.048 18507 6828 1 13 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.343 0.116 18507 6829 1 13 . 1 1 13 13 PRO C C 13 177.038 177.038 176.499 0.539 18507 6830 1 13 . 1 1 13 13 PRO CA C 13 62.868 62.868 64.104 -1.236 18507 6831 1 13 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.981 0.201 18507 6832 1 13 . 1 1 14 14 THR N N 14 114.515 114.515 112.938 1.577 18507 6833 1 13 . 1 1 14 14 THR HA H 14 4.255 4.255 4.464 -0.209 18507 6834 1 13 . 1 1 14 14 THR C C 14 174.477 174.477 174.153 0.324 18507 6835 1 13 . 1 1 14 14 THR CA C 14 61.813 61.813 59.806 2.007 18507 6836 1 13 . 1 1 14 14 THR CB C 14 69.675 69.675 69.980 -0.304 18507 6837 1 13 . 1 1 14 14 THR H H 14 8.234 8.234 7.507 0.727 18507 6838 1 13 . 1 1 15 15 GLN N N 15 122.586 122.586 119.180 3.406 18507 6839 1 13 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.219 0.127 18507 6840 1 13 . 1 1 15 15 GLN C C 15 175.452 175.452 175.725 -0.273 18507 6841 1 13 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.977 -1.415 18507 6842 1 13 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.158 0.377 18507 6843 1 13 . 1 1 15 15 GLN H H 15 8.380 8.380 8.446 -0.066 18507 6844 1 13 . 1 1 16 16 GLN N N 16 122.137 122.137 118.458 3.679 18507 6845 1 13 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.475 -0.215 18507 6846 1 13 . 1 1 16 16 GLN C C 16 175.050 175.050 174.389 0.661 18507 6847 1 13 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.797 -0.255 18507 6848 1 13 . 1 1 16 16 GLN CB C 16 29.726 29.726 30.435 -0.709 18507 6849 1 13 . 1 1 16 16 GLN H H 16 8.457 8.457 8.455 0.002 18507 6850 1 13 . 1 1 17 17 ALA N N 17 125.292 125.292 127.972 -2.680 18507 6851 1 13 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.525 -0.214 18507 6852 1 13 . 1 1 17 17 ALA C C 17 176.628 176.628 177.315 -0.687 18507 6853 1 13 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.599 0.113 18507 6854 1 13 . 1 1 17 17 ALA CB C 17 19.967 19.967 19.809 0.158 18507 6855 1 13 . 1 1 17 17 ALA H H 17 8.323 8.323 8.406 -0.083 18507 6856 1 13 . 1 1 18 18 ARG N N 18 122.106 122.106 122.574 -0.468 18507 6857 1 13 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.476 0.145 18507 6858 1 13 . 1 1 18 18 ARG CA C 18 53.226 53.226 54.107 -0.881 18507 6859 1 13 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.172 0.604 18507 6860 1 13 . 1 1 18 18 ARG H H 18 8.591 8.591 8.661 -0.070 18507 6861 1 13 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.420 0.164 18507 6862 1 13 . 1 1 19 19 PRO C C 19 176.098 176.098 176.220 -0.122 18507 6863 1 13 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.508 0.453 18507 6864 1 13 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.276 -0.132 18507 6865 1 13 . 1 1 20 20 THR N N 20 121.694 121.694 113.960 7.734 18507 6866 1 13 . 1 1 20 20 THR HA H 20 4.228 4.228 4.351 -0.123 18507 6867 1 13 . 1 1 20 20 THR C C 20 172.413 172.413 174.509 -2.096 18507 6868 1 13 . 1 1 20 20 THR CA C 20 62.891 62.891 60.514 2.377 18507 6869 1 13 . 1 1 20 20 THR CB C 20 71.036 71.036 70.265 0.771 18507 6870 1 13 . 1 1 20 20 THR H H 20 9.046 9.046 8.259 0.787 18507 6871 1 13 . 1 1 21 21 VAL N N 21 127.141 127.141 126.117 1.024 18507 6872 1 13 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.189 0.358 18507 6873 1 13 . 1 1 21 21 VAL C C 21 175.345 175.345 174.752 0.593 18507 6874 1 13 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.197 -0.417 18507 6875 1 13 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.892 0.367 18507 6876 1 13 . 1 1 21 21 VAL H H 21 8.572 8.572 8.273 0.299 18507 6877 1 13 . 1 1 22 22 ILE N N 22 130.341 130.341 127.859 2.482 18507 6878 1 13 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.529 -0.236 18507 6879 1 13 . 1 1 22 22 ILE C C 22 173.794 173.794 174.533 -0.739 18507 6880 1 13 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.652 -1.201 18507 6881 1 13 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.512 -2.848 18507 6882 1 13 . 1 1 22 22 ILE H H 22 8.913 8.913 8.259 0.654 18507 6883 1 13 . 1 1 23 23 ARG N N 23 125.596 125.596 125.860 -0.264 18507 6884 1 13 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.108 0.401 18507 6885 1 13 . 1 1 23 23 ARG C C 23 174.125 174.125 174.543 -0.418 18507 6886 1 13 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.607 -1.602 18507 6887 1 13 . 1 1 23 23 ARG CB C 23 34.584 34.584 33.656 0.929 18507 6888 1 13 . 1 1 23 23 ARG H H 23 8.595 8.595 8.774 -0.179 18507 6889 1 13 . 1 1 24 24 TRP N N 24 123.124 123.124 128.412 -5.288 18507 6890 1 13 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.932 -0.145 18507 6891 1 13 . 1 1 24 24 TRP C C 24 177.208 177.208 173.845 3.363 18507 6892 1 13 . 1 1 24 24 TRP CA C 24 55.974 55.974 55.890 0.084 18507 6893 1 13 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.647 -0.240 18507 6894 1 13 . 1 1 24 24 TRP H H 24 9.098 9.098 9.290 -0.192 18507 6895 1 13 . 1 1 25 25 SER N N 25 123.623 123.623 120.746 2.877 18507 6896 1 13 . 1 1 25 25 SER HA H 25 4.827 4.827 4.659 0.168 18507 6897 1 13 . 1 1 25 25 SER CA C 25 58.442 58.442 56.988 1.454 18507 6898 1 13 . 1 1 25 25 SER CB C 25 63.993 63.993 64.460 -0.467 18507 6899 1 13 . 1 1 25 25 SER H H 25 8.837 8.837 8.021 0.817 18507 6900 1 13 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.490 -0.349 18507 6901 1 13 . 1 1 26 26 GLU C C 26 175.915 175.915 176.544 -0.629 18507 6902 1 13 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.289 -1.026 18507 6903 1 13 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.351 -1.067 18507 6904 1 13 . 1 1 27 27 GLY N N 27 109.186 109.186 108.924 0.262 18507 6905 1 13 . 1 1 27 27 GLY C C 27 173.380 173.380 174.359 -0.979 18507 6906 1 13 . 1 1 27 27 GLY CA C 27 44.632 44.632 44.835 -0.203 18507 6907 1 13 . 1 1 27 27 GLY H H 27 8.434 8.434 8.241 0.193 18507 6908 1 13 . 1 1 28 28 GLY N N 28 106.478 106.478 107.058 -0.580 18507 6909 1 13 . 1 1 28 28 GLY C C 28 172.572 172.572 174.675 -2.103 18507 6910 1 13 . 1 1 28 28 GLY CA C 28 43.697 43.697 43.705 -0.007 18507 6911 1 13 . 1 1 28 28 GLY H H 28 7.948 7.948 7.914 0.034 18507 6912 1 13 . 1 1 29 29 LYS N N 29 120.742 120.742 117.488 3.254 18507 6913 1 13 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.432 0.183 18507 6914 1 13 . 1 1 29 29 LYS C C 29 177.173 177.173 176.456 0.717 18507 6915 1 13 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.867 1.084 18507 6916 1 13 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.487 0.347 18507 6917 1 13 . 1 1 29 29 LYS H H 29 10.077 10.077 8.480 1.597 18507 6918 1 13 . 1 1 30 30 GLU N N 30 121.578 121.578 117.827 3.751 18507 6919 1 13 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.387 -0.190 18507 6920 1 13 . 1 1 30 30 GLU C C 30 173.541 173.541 173.571 -0.030 18507 6921 1 13 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.596 0.384 18507 6922 1 13 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.967 0.506 18507 6923 1 13 . 1 1 30 30 GLU H H 30 8.810 8.810 7.717 1.093 18507 6924 1 13 . 1 1 31 31 VAL N N 31 124.182 124.182 122.425 1.757 18507 6925 1 13 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.798 -0.258 18507 6926 1 13 . 1 1 31 31 VAL C C 31 173.552 173.552 174.052 -0.500 18507 6927 1 13 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.176 1.059 18507 6928 1 13 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.559 1.702 18507 6929 1 13 . 1 1 31 31 VAL H H 31 7.704 7.704 8.165 -0.461 18507 6930 1 13 . 1 1 32 32 PHE N N 32 123.930 123.930 124.865 -0.935 18507 6931 1 13 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.461 0.106 18507 6932 1 13 . 1 1 32 32 PHE C C 32 174.872 174.872 174.420 0.452 18507 6933 1 13 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.222 -1.237 18507 6934 1 13 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.966 0.383 18507 6935 1 13 . 1 1 32 32 PHE H H 32 8.856 8.856 8.337 0.519 18507 6936 1 13 . 1 1 33 33 ILE N N 33 116.493 116.493 121.224 -4.731 18507 6937 1 13 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.635 -0.155 18507 6938 1 13 . 1 1 33 33 ILE C C 33 174.067 174.067 174.283 -0.216 18507 6939 1 13 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.139 0.370 18507 6940 1 13 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.740 1.554 18507 6941 1 13 . 1 1 33 33 ILE H H 33 9.316 9.316 9.170 0.146 18507 6942 1 13 . 1 1 34 34 SER N N 34 116.962 116.962 122.431 -5.469 18507 6943 1 13 . 1 1 34 34 SER HA H 34 4.496 4.496 4.847 -0.351 18507 6944 1 13 . 1 1 34 34 SER C C 34 170.691 170.691 172.367 -1.676 18507 6945 1 13 . 1 1 34 34 SER CA C 34 57.343 57.343 57.428 -0.085 18507 6946 1 13 . 1 1 34 34 SER CB C 34 67.249 67.249 66.423 0.826 18507 6947 1 13 . 1 1 34 34 SER H H 34 8.518 8.518 8.519 -0.001 18507 6948 1 13 . 1 1 35 35 GLY N N 35 106.806 106.806 107.915 -1.109 18507 6949 1 13 . 1 1 35 35 GLY C C 35 172.451 172.451 172.494 -0.043 18507 6950 1 13 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.157 1.904 18507 6951 1 13 . 1 1 35 35 GLY H H 35 7.200 7.200 6.897 0.303 18507 6952 1 13 . 1 1 36 36 SER N N 36 115.550 115.550 116.676 -1.126 18507 6953 1 13 . 1 1 36 36 SER HA H 36 3.388 3.388 4.248 -0.860 18507 6954 1 13 . 1 1 36 36 SER C C 36 177.094 177.094 176.923 0.171 18507 6955 1 13 . 1 1 36 36 SER CA C 36 60.882 60.882 61.317 -0.435 18507 6956 1 13 . 1 1 36 36 SER CB C 36 61.978 61.978 63.500 -1.522 18507 6957 1 13 . 1 1 36 36 SER H H 36 8.952 8.952 7.983 0.969 18507 6958 1 13 . 1 1 37 37 PHE N N 37 118.633 118.633 117.992 0.641 18507 6959 1 13 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.240 0.221 18507 6960 1 13 . 1 1 37 37 PHE C C 37 175.254 175.254 175.562 -0.308 18507 6961 1 13 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.655 -1.899 18507 6962 1 13 . 1 1 37 37 PHE CB C 37 37.763 37.763 38.077 -0.314 18507 6963 1 13 . 1 1 37 37 PHE H H 37 6.475 6.475 8.011 -1.536 18507 6964 1 13 . 1 1 38 38 ASN N N 38 119.885 119.885 114.837 5.048 18507 6965 1 13 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.698 0.242 18507 6966 1 13 . 1 1 38 38 ASN C C 38 175.954 175.954 174.904 1.050 18507 6967 1 13 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.747 -0.466 18507 6968 1 13 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.037 -1.836 18507 6969 1 13 . 1 1 38 38 ASN H H 38 6.610 6.610 7.028 -0.418 18507 6970 1 13 . 1 1 39 39 ASN N N 39 117.264 117.264 118.377 -1.113 18507 6971 1 13 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.472 -0.162 18507 6972 1 13 . 1 1 39 39 ASN C C 39 173.171 173.171 174.821 -1.650 18507 6973 1 13 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.527 0.261 18507 6974 1 13 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.254 -0.260 18507 6975 1 13 . 1 1 39 39 ASN H H 39 7.822 7.822 7.802 0.020 18507 6976 1 13 . 1 1 40 40 TRP N N 40 113.463 113.463 114.352 -0.889 18507 6977 1 13 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.219 -0.218 18507 6978 1 13 . 1 1 40 40 TRP C C 40 177.457 177.457 175.236 2.221 18507 6979 1 13 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.974 -0.390 18507 6980 1 13 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.171 -1.384 18507 6981 1 13 . 1 1 40 40 TRP H H 40 8.300 8.300 7.626 0.674 18507 6982 1 13 . 1 1 41 41 SER N N 41 113.321 113.321 114.152 -0.831 18507 6983 1 13 . 1 1 41 41 SER HA H 41 4.216 4.216 4.586 -0.370 18507 6984 1 13 . 1 1 41 41 SER C C 41 174.913 174.913 174.364 0.549 18507 6985 1 13 . 1 1 41 41 SER CA C 41 60.460 60.460 58.826 1.634 18507 6986 1 13 . 1 1 41 41 SER CB C 41 64.591 64.591 64.318 0.273 18507 6987 1 13 . 1 1 41 41 SER H H 41 7.549 7.549 8.402 -0.853 18507 6988 1 13 . 1 1 42 42 THR N N 42 112.097 112.097 115.289 -3.192 18507 6989 1 13 . 1 1 42 42 THR HA H 42 4.576 4.576 4.405 0.171 18507 6990 1 13 . 1 1 42 42 THR C C 42 174.798 174.798 172.374 2.424 18507 6991 1 13 . 1 1 42 42 THR CA C 42 59.920 59.920 62.099 -2.179 18507 6992 1 13 . 1 1 42 42 THR CB C 42 71.457 71.457 70.726 0.731 18507 6993 1 13 . 1 1 42 42 THR H H 42 7.088 7.088 7.744 -0.656 18507 6994 1 13 . 1 1 43 43 LYS N N 43 122.104 122.104 125.909 -3.805 18507 6995 1 13 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.923 -0.251 18507 6996 1 13 . 1 1 43 43 LYS C C 43 174.839 174.839 176.516 -1.677 18507 6997 1 13 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.373 0.920 18507 6998 1 13 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.484 -0.146 18507 6999 1 13 . 1 1 43 43 LYS H H 43 8.466 8.466 8.200 0.266 18507 7000 1 13 . 1 1 44 44 ILE N N 44 128.655 128.655 127.285 1.370 18507 7001 1 13 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.541 0.087 18507 7002 1 13 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.385 0.187 18507 7003 1 13 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.681 1.423 18507 7004 1 13 . 1 1 44 44 ILE H H 44 9.596 9.596 9.096 0.500 18507 7005 1 13 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.436 -0.131 18507 7006 1 13 . 1 1 45 45 PRO C C 45 174.315 174.315 176.109 -1.794 18507 7007 1 13 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.589 0.142 18507 7008 1 13 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.400 -0.154 18507 7009 1 13 . 1 1 46 46 LEU N N 46 122.198 122.198 124.965 -2.767 18507 7010 1 13 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.585 -0.072 18507 7011 1 13 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.875 1.678 18507 7012 1 13 . 1 1 46 46 LEU CB C 46 42.810 42.810 43.108 -0.298 18507 7013 1 13 . 1 1 46 46 LEU H H 46 8.157 8.157 7.535 0.622 18507 7014 1 13 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.922 0.428 18507 7015 1 13 . 1 1 47 47 ILE C C 47 175.903 175.903 176.206 -0.303 18507 7016 1 13 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.245 -1.831 18507 7017 1 13 . 1 1 47 47 ILE CB C 47 39.396 39.396 37.198 2.198 18507 7018 1 13 . 1 1 48 48 LYS N N 48 128.033 128.033 128.745 -0.712 18507 7019 1 13 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.919 -0.013 18507 7020 1 13 . 1 1 48 48 LYS C C 48 176.252 176.252 175.745 0.507 18507 7021 1 13 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.861 -0.159 18507 7022 1 13 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.872 -0.276 18507 7023 1 13 . 1 1 48 48 LYS H H 48 8.661 8.661 8.422 0.239 18507 7024 1 13 . 1 1 49 49 SER N N 49 122.194 122.194 119.896 2.298 18507 7025 1 13 . 1 1 49 49 SER HA H 49 4.367 4.367 4.728 -0.361 18507 7026 1 13 . 1 1 49 49 SER CA C 49 56.282 56.282 56.218 0.064 18507 7027 1 13 . 1 1 49 49 SER CB C 49 62.849 62.849 64.761 -1.912 18507 7028 1 13 . 1 1 49 49 SER H H 49 8.638 8.638 8.093 0.545 18507 7029 1 13 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.299 -0.257 18507 7030 1 13 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.404 -0.420 18507 7031 1 13 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.931 -2.034 18507 7032 1 13 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.634 0.081 18507 7033 1 13 . 1 1 51 51 ASN C C 51 174.091 174.091 174.308 -0.217 18507 7034 1 13 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.174 -0.398 18507 7035 1 13 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.169 -0.035 18507 7036 1 13 . 1 1 52 52 ASP N N 52 119.149 119.149 115.263 3.886 18507 7037 1 13 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.454 0.508 18507 7038 1 13 . 1 1 52 52 ASP C C 52 174.069 174.069 173.985 0.084 18507 7039 1 13 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.361 0.183 18507 7040 1 13 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.009 1.547 18507 7041 1 13 . 1 1 52 52 ASP H H 52 8.031 8.031 7.455 0.576 18507 7042 1 13 . 1 1 53 53 PHE N N 53 118.169 118.169 117.675 0.494 18507 7043 1 13 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.762 0.388 18507 7044 1 13 . 1 1 53 53 PHE C C 53 175.583 175.583 176.133 -0.550 18507 7045 1 13 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.413 -1.041 18507 7046 1 13 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.241 1.650 18507 7047 1 13 . 1 1 53 53 PHE H H 53 8.534 8.534 8.786 -0.252 18507 7048 1 13 . 1 1 54 54 VAL N N 54 118.983 118.983 113.663 5.320 18507 7049 1 13 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.927 0.398 18507 7050 1 13 . 1 1 54 54 VAL CA C 54 60.134 60.134 60.016 0.118 18507 7051 1 13 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.501 0.249 18507 7052 1 13 . 1 1 54 54 VAL H H 54 9.324 9.324 8.176 1.148 18507 7053 1 13 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.852 -0.145 18507 7054 1 13 . 1 1 55 55 ALA C C 55 174.786 174.786 175.556 -0.770 18507 7055 1 13 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.578 0.310 18507 7056 1 13 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.537 -0.849 18507 7057 1 13 . 1 1 56 56 ILE N N 56 120.457 120.457 120.644 -0.187 18507 7058 1 13 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.387 0.165 18507 7059 1 13 . 1 1 56 56 ILE C C 56 175.419 175.419 174.475 0.944 18507 7060 1 13 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.966 0.956 18507 7061 1 13 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.167 0.324 18507 7062 1 13 . 1 1 56 56 ILE H H 56 8.239 8.239 8.655 -0.416 18507 7063 1 13 . 1 1 57 57 LEU N N 57 127.392 127.392 123.717 3.675 18507 7064 1 13 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.699 -0.193 18507 7065 1 13 . 1 1 57 57 LEU C C 57 175.108 175.108 175.149 -0.041 18507 7066 1 13 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.631 0.111 18507 7067 1 13 . 1 1 57 57 LEU CB C 57 45.170 45.170 46.044 -0.874 18507 7068 1 13 . 1 1 57 57 LEU H H 57 8.828 8.828 7.885 0.943 18507 7069 1 13 . 1 1 58 58 ASP N N 58 124.255 124.255 120.659 3.596 18507 7070 1 13 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.849 -0.221 18507 7071 1 13 . 1 1 58 58 ASP C C 58 175.066 175.066 175.493 -0.427 18507 7072 1 13 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.130 -1.189 18507 7073 1 13 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.777 -1.070 18507 7074 1 13 . 1 1 58 58 ASP H H 58 8.571 8.571 8.350 0.221 18507 7075 1 13 . 1 1 59 59 LEU N N 59 124.092 124.092 124.301 -0.209 18507 7076 1 13 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.725 -0.190 18507 7077 1 13 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.135 -0.262 18507 7078 1 13 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.848 -0.814 18507 7079 1 13 . 1 1 59 59 LEU H H 59 7.681 7.681 8.093 -0.412 18507 7080 1 13 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.437 0.164 18507 7081 1 13 . 1 1 60 60 PRO C C 60 175.599 175.599 175.930 -0.331 18507 7082 1 13 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.078 -0.596 18507 7083 1 13 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.565 0.103 18507 7084 1 13 . 1 1 61 61 GLU N N 61 119.164 119.164 121.545 -2.381 18507 7085 1 13 . 1 1 61 61 GLU HA H 61 3.859 3.859 4.137 -0.278 18507 7086 1 13 . 1 1 61 61 GLU C C 61 176.121 176.121 175.662 0.459 18507 7087 1 13 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.215 0.243 18507 7088 1 13 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.103 1.146 18507 7089 1 13 . 1 1 61 61 GLU H H 61 8.500 8.500 8.553 -0.053 18507 7090 1 13 . 1 1 62 62 GLY N N 62 111.529 111.529 114.420 -2.891 18507 7091 1 13 . 1 1 62 62 GLY C C 62 171.313 171.313 171.288 0.025 18507 7092 1 13 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.209 -1.740 18507 7093 1 13 . 1 1 62 62 GLY H H 62 8.845 8.845 7.980 0.865 18507 7094 1 13 . 1 1 63 63 GLU N N 63 119.100 119.100 121.022 -1.922 18507 7095 1 13 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.224 0.558 18507 7096 1 13 . 1 1 63 63 GLU C C 63 175.530 175.530 174.588 0.942 18507 7097 1 13 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.183 0.795 18507 7098 1 13 . 1 1 63 63 GLU CB C 63 31.383 31.383 31.658 -0.275 18507 7099 1 13 . 1 1 63 63 GLU H H 63 8.015 8.015 8.059 -0.043 18507 7100 1 13 . 1 1 64 64 HIS N N 64 121.786 121.786 121.818 -0.032 18507 7101 1 13 . 1 1 64 64 HIS HA H 64 4.817 4.817 4.948 -0.131 18507 7102 1 13 . 1 1 64 64 HIS C C 64 174.358 174.358 173.196 1.162 18507 7103 1 13 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.168 0.802 18507 7104 1 13 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.345 0.764 18507 7105 1 13 . 1 1 64 64 HIS H H 64 8.830 8.830 9.016 -0.186 18507 7106 1 13 . 1 1 65 65 GLN N N 65 121.667 121.667 118.340 3.327 18507 7107 1 13 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.899 0.862 18507 7108 1 13 . 1 1 65 65 GLN C C 65 175.833 175.833 174.717 1.116 18507 7109 1 13 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.166 -1.333 18507 7110 1 13 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.462 0.803 18507 7111 1 13 . 1 1 65 65 GLN H H 65 8.637 8.637 8.914 -0.277 18507 7112 1 13 . 1 1 66 66 TYR N N 66 116.908 116.908 120.413 -3.505 18507 7113 1 13 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.424 -0.249 18507 7114 1 13 . 1 1 66 66 TYR C C 66 171.751 171.751 174.045 -2.294 18507 7115 1 13 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.755 2.228 18507 7116 1 13 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.697 -0.967 18507 7117 1 13 . 1 1 66 66 TYR H H 66 8.894 8.894 7.704 1.190 18507 7118 1 13 . 1 1 67 67 LYS N N 67 118.307 118.307 117.933 0.374 18507 7119 1 13 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.840 -0.207 18507 7120 1 13 . 1 1 67 67 LYS C C 67 173.317 173.317 174.957 -1.640 18507 7121 1 13 . 1 1 67 67 LYS CA C 67 56.876 56.876 55.133 1.743 18507 7122 1 13 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.822 0.378 18507 7123 1 13 . 1 1 67 67 LYS H H 67 8.927 8.927 8.341 0.586 18507 7124 1 13 . 1 1 68 68 PHE N N 68 118.691 118.691 122.669 -3.978 18507 7125 1 13 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.200 0.331 18507 7126 1 13 . 1 1 68 68 PHE C C 68 173.861 173.861 175.264 -1.403 18507 7127 1 13 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.434 0.514 18507 7128 1 13 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.060 0.212 18507 7129 1 13 . 1 1 68 68 PHE H H 68 8.436 8.436 8.372 0.064 18507 7130 1 13 . 1 1 69 69 PHE N N 69 125.718 125.718 124.475 1.243 18507 7131 1 13 . 1 1 69 69 PHE HA H 69 4.723 4.723 5.077 -0.354 18507 7132 1 13 . 1 1 69 69 PHE C C 69 174.574 174.574 173.282 1.292 18507 7133 1 13 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.427 -0.591 18507 7134 1 13 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.717 -0.561 18507 7135 1 13 . 1 1 69 69 PHE H H 69 9.000 9.000 8.908 0.092 18507 7136 1 13 . 1 1 70 70 VAL N N 70 126.808 126.808 125.271 1.537 18507 7137 1 13 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.707 -0.384 18507 7138 1 13 . 1 1 70 70 VAL C C 70 175.641 175.641 175.678 -0.037 18507 7139 1 13 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.623 0.885 18507 7140 1 13 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.660 -1.190 18507 7141 1 13 . 1 1 70 70 VAL H H 70 8.688 8.688 7.719 0.969 18507 7142 1 13 . 1 1 71 71 ASP N N 71 128.747 128.747 125.028 3.719 18507 7143 1 13 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.194 0.041 18507 7144 1 13 . 1 1 71 71 ASP C C 71 176.119 176.119 176.295 -0.176 18507 7145 1 13 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.721 0.928 18507 7146 1 13 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.111 -0.482 18507 7147 1 13 . 1 1 71 71 ASP H H 71 8.890 8.890 9.002 -0.112 18507 7148 1 13 . 1 1 72 72 GLY N N 72 100.856 100.856 104.049 -3.193 18507 7149 1 13 . 1 1 72 72 GLY C C 72 173.149 173.149 173.334 -0.185 18507 7150 1 13 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.359 -0.104 18507 7151 1 13 . 1 1 72 72 GLY H H 72 7.437 7.437 8.429 -0.992 18507 7152 1 13 . 1 1 73 73 GLN N N 73 117.716 117.716 114.350 3.366 18507 7153 1 13 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.376 0.104 18507 7154 1 13 . 1 1 73 73 GLN C C 73 173.981 173.981 173.083 0.898 18507 7155 1 13 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.090 0.195 18507 7156 1 13 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.575 1.335 18507 7157 1 13 . 1 1 73 73 GLN H H 73 6.923 6.923 6.568 0.355 18507 7158 1 13 . 1 1 74 74 TRP N N 74 123.738 123.738 121.337 2.401 18507 7159 1 13 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.175 0.638 18507 7160 1 13 . 1 1 74 74 TRP C C 74 177.239 177.239 176.781 0.458 18507 7161 1 13 . 1 1 74 74 TRP CA C 74 56.788 56.788 56.998 -0.210 18507 7162 1 13 . 1 1 74 74 TRP CB C 74 29.918 29.918 30.330 -0.412 18507 7163 1 13 . 1 1 74 74 TRP H H 74 8.836 8.836 8.592 0.244 18507 7164 1 13 . 1 1 75 75 VAL N N 75 121.900 121.900 118.559 3.341 18507 7165 1 13 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.644 0.342 18507 7166 1 13 . 1 1 75 75 VAL C C 75 172.903 172.903 173.752 -0.849 18507 7167 1 13 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.411 1.214 18507 7168 1 13 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.633 1.022 18507 7169 1 13 . 1 1 75 75 VAL H H 75 10.049 10.049 8.918 1.131 18507 7170 1 13 . 1 1 76 76 HIS N N 76 119.400 119.400 115.736 3.664 18507 7171 1 13 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.289 0.289 18507 7172 1 13 . 1 1 76 76 HIS C C 76 173.084 173.084 173.426 -0.342 18507 7173 1 13 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.230 0.030 18507 7174 1 13 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.967 -0.160 18507 7175 1 13 . 1 1 76 76 HIS H H 76 7.758 7.758 8.323 -0.565 18507 7176 1 13 . 1 1 77 77 ASP N N 77 121.057 121.057 122.296 -1.239 18507 7177 1 13 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.254 -0.150 18507 7178 1 13 . 1 1 77 77 ASP CA C 77 50.464 50.464 51.676 -1.212 18507 7179 1 13 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.654 -0.385 18507 7180 1 13 . 1 1 77 77 ASP H H 77 10.717 10.717 9.040 1.677 18507 7181 1 13 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.545 -0.010 18507 7182 1 13 . 1 1 78 78 PRO C C 78 177.387 177.387 177.461 -0.074 18507 7183 1 13 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.532 -0.935 18507 7184 1 13 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.619 -0.293 18507 7185 1 13 . 1 1 79 79 SER N N 79 116.058 116.058 112.491 3.567 18507 7186 1 13 . 1 1 79 79 SER HA H 79 4.477 4.477 4.417 0.060 18507 7187 1 13 . 1 1 79 79 SER C C 79 173.819 173.819 174.939 -1.120 18507 7188 1 13 . 1 1 79 79 SER CA C 79 59.369 59.369 58.643 0.726 18507 7189 1 13 . 1 1 79 79 SER CB C 79 63.875 63.875 63.273 0.602 18507 7190 1 13 . 1 1 79 79 SER H H 79 8.853 8.853 8.045 0.808 18507 7191 1 13 . 1 1 80 80 GLU N N 80 122.620 122.620 120.627 1.993 18507 7192 1 13 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.704 0.255 18507 7193 1 13 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.960 -0.559 18507 7194 1 13 . 1 1 80 80 GLU CB C 80 30.620 30.620 29.912 0.708 18507 7195 1 13 . 1 1 80 80 GLU H H 80 7.332 7.332 7.522 -0.190 18507 7196 1 13 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.456 -0.017 18507 7197 1 13 . 1 1 81 81 PRO C C 81 177.020 177.020 175.757 1.263 18507 7198 1 13 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.001 0.695 18507 7199 1 13 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.353 -2.134 18507 7200 1 13 . 1 1 82 82 VAL N N 82 114.720 114.720 117.434 -2.714 18507 7201 1 13 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.848 0.619 18507 7202 1 13 . 1 1 82 82 VAL C C 82 175.787 175.787 174.947 0.840 18507 7203 1 13 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.929 -1.330 18507 7204 1 13 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.647 3.111 18507 7205 1 13 . 1 1 82 82 VAL H H 82 8.221 8.221 7.874 0.347 18507 7206 1 13 . 1 1 83 83 VAL N N 83 117.999 117.999 122.149 -4.150 18507 7207 1 13 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.358 0.052 18507 7208 1 13 . 1 1 83 83 VAL C C 83 173.384 173.384 174.548 -1.164 18507 7209 1 13 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.101 -0.568 18507 7210 1 13 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.489 -1.184 18507 7211 1 13 . 1 1 83 83 VAL H H 83 8.898 8.898 8.830 0.068 18507 7212 1 13 . 1 1 84 84 THR N N 84 120.469 120.469 123.346 -2.877 18507 7213 1 13 . 1 1 84 84 THR HA H 84 4.751 4.751 4.508 0.243 18507 7214 1 13 . 1 1 84 84 THR C C 84 174.975 174.975 174.293 0.682 18507 7215 1 13 . 1 1 84 84 THR CA C 84 61.446 61.446 62.887 -1.441 18507 7216 1 13 . 1 1 84 84 THR CB C 84 68.959 68.959 68.232 0.727 18507 7217 1 13 . 1 1 84 84 THR H H 84 8.309 8.309 8.319 -0.010 18507 7218 1 13 . 1 1 85 85 SER N N 85 123.544 123.544 120.815 2.729 18507 7219 1 13 . 1 1 85 85 SER HA H 85 4.533 4.533 4.337 0.196 18507 7220 1 13 . 1 1 85 85 SER CA C 85 57.027 57.027 59.108 -2.081 18507 7221 1 13 . 1 1 85 85 SER CB C 85 65.264 65.264 64.301 0.963 18507 7222 1 13 . 1 1 85 85 SER H H 85 9.137 9.137 8.560 0.577 18507 7223 1 13 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.078 0.014 18507 7224 1 13 . 1 1 86 86 GLN C C 86 176.451 176.451 175.415 1.036 18507 7225 1 13 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.400 -0.330 18507 7226 1 13 . 1 1 86 86 GLN CB C 86 28.135 28.135 27.726 0.409 18507 7227 1 13 . 1 1 87 87 LEU N N 87 117.032 117.032 119.185 -2.153 18507 7228 1 13 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.438 -0.179 18507 7229 1 13 . 1 1 87 87 LEU C C 87 177.470 177.470 177.443 0.027 18507 7230 1 13 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.271 0.379 18507 7231 1 13 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.240 1.436 18507 7232 1 13 . 1 1 87 87 LEU H H 87 7.692 7.692 7.439 0.253 18507 7233 1 13 . 1 1 88 88 GLY N N 88 107.770 107.770 107.740 0.030 18507 7234 1 13 . 1 1 88 88 GLY C C 88 174.029 174.029 173.716 0.313 18507 7235 1 13 . 1 1 88 88 GLY CA C 88 45.262 45.262 46.038 -0.776 18507 7236 1 13 . 1 1 88 88 GLY H H 88 7.932 7.932 7.862 0.070 18507 7237 1 13 . 1 1 89 89 THR N N 89 112.596 112.596 110.942 1.654 18507 7238 1 13 . 1 1 89 89 THR HA H 89 4.259 4.259 4.507 -0.248 18507 7239 1 13 . 1 1 89 89 THR C C 89 172.837 172.837 174.256 -1.419 18507 7240 1 13 . 1 1 89 89 THR CA C 89 60.743 60.743 59.368 1.375 18507 7241 1 13 . 1 1 89 89 THR CB C 89 69.845 69.845 70.894 -1.049 18507 7242 1 13 . 1 1 89 89 THR H H 89 7.148 7.148 7.451 -0.303 18507 7243 1 13 . 1 1 90 90 ILE N N 90 123.927 123.927 125.200 -1.273 18507 7244 1 13 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.236 0.174 18507 7245 1 13 . 1 1 90 90 ILE C C 90 175.007 175.007 175.418 -0.411 18507 7246 1 13 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.918 -0.367 18507 7247 1 13 . 1 1 90 90 ILE CB C 90 38.935 38.935 37.170 1.765 18507 7248 1 13 . 1 1 90 90 ILE H H 90 8.514 8.514 8.772 -0.258 18507 7249 1 13 . 1 1 91 91 ASN N N 91 123.450 123.450 121.358 2.092 18507 7250 1 13 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.926 0.361 18507 7251 1 13 . 1 1 91 91 ASN C C 91 175.916 175.916 173.574 2.342 18507 7252 1 13 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.890 -0.914 18507 7253 1 13 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.206 0.970 18507 7254 1 13 . 1 1 91 91 ASN H H 91 8.497 8.497 8.718 -0.221 18507 7255 1 13 . 1 1 92 92 ASN N N 92 115.675 115.675 117.915 -2.240 18507 7256 1 13 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.661 0.950 18507 7257 1 13 . 1 1 92 92 ASN C C 92 173.765 173.765 174.181 -0.416 18507 7258 1 13 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.733 1.079 18507 7259 1 13 . 1 1 92 92 ASN CB C 92 41.743 41.743 38.762 2.981 18507 7260 1 13 . 1 1 92 92 ASN H H 92 8.721 8.721 8.319 0.402 18507 7261 1 13 . 1 1 93 93 LEU N N 93 120.001 120.001 120.402 -0.401 18507 7262 1 13 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.648 0.689 18507 7263 1 13 . 1 1 93 93 LEU C C 93 175.864 175.864 175.252 0.612 18507 7264 1 13 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.143 -0.621 18507 7265 1 13 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.707 1.416 18507 7266 1 13 . 1 1 93 93 LEU H H 93 7.661 7.661 7.876 -0.215 18507 7267 1 13 . 1 1 94 94 ILE N N 94 124.682 124.682 125.560 -0.878 18507 7268 1 13 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.661 0.186 18507 7269 1 13 . 1 1 94 94 ILE C C 94 172.078 172.078 173.513 -1.435 18507 7270 1 13 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.467 -1.116 18507 7271 1 13 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.628 -0.537 18507 7272 1 13 . 1 1 94 94 ILE H H 94 9.282 9.282 9.311 -0.029 18507 7273 1 13 . 1 1 95 95 HIS N N 95 126.782 126.782 127.607 -0.825 18507 7274 1 13 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.057 0.053 18507 7275 1 13 . 1 1 95 95 HIS C C 95 174.655 174.655 173.807 0.848 18507 7276 1 13 . 1 1 95 95 HIS CA C 95 54.334 54.334 55.084 -0.750 18507 7277 1 13 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.314 1.085 18507 7278 1 13 . 1 1 95 95 HIS H H 95 8.690 8.690 8.679 0.011 18507 7279 1 13 . 1 1 96 96 VAL N N 96 128.616 128.616 125.880 2.736 18507 7280 1 13 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.265 -0.150 18507 7281 1 13 . 1 1 96 96 VAL C C 96 175.515 175.515 174.903 0.612 18507 7282 1 13 . 1 1 96 96 VAL CA C 96 62.502 62.502 62.214 0.288 18507 7283 1 13 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.153 -0.821 18507 7284 1 13 . 1 1 96 96 VAL H H 96 9.082 9.082 8.397 0.685 18507 7285 1 13 . 1 1 97 97 LYS N N 97 128.692 128.692 124.595 4.097 18507 7286 1 13 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.497 0.053 18507 7287 1 13 . 1 1 97 97 LYS C C 97 176.019 176.019 174.876 1.143 18507 7288 1 13 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.121 0.970 18507 7289 1 13 . 1 1 97 97 LYS CB C 97 34.588 34.588 35.042 -0.454 18507 7290 1 13 . 1 1 97 97 LYS H H 97 8.708 8.708 8.279 0.429 18507 7291 1 13 . 1 1 98 98 LYS N N 98 122.635 122.635 120.821 1.814 18507 7292 1 13 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.457 -0.335 18507 7293 1 13 . 1 1 98 98 LYS C C 98 176.947 176.947 176.388 0.559 18507 7294 1 13 . 1 1 98 98 LYS CA C 98 57.232 57.232 56.190 1.042 18507 7295 1 13 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.136 -0.287 18507 7296 1 13 . 1 1 98 98 LYS H H 98 8.717 8.717 8.285 0.432 18507 7297 1 13 . 1 1 99 99 SER N N 99 116.737 116.737 115.100 1.637 18507 7298 1 13 . 1 1 99 99 SER HA H 99 4.357 4.357 4.811 -0.454 18507 7299 1 13 . 1 1 99 99 SER C C 99 174.335 174.335 174.357 -0.022 18507 7300 1 13 . 1 1 99 99 SER CA C 99 58.240 58.240 58.656 -0.416 18507 7301 1 13 . 1 1 99 99 SER CB C 99 63.664 63.664 63.372 0.292 18507 7302 1 13 . 1 1 99 99 SER H H 99 8.393 8.393 8.643 -0.250 18507 7303 1 13 . 1 1 100 100 ASP N N 100 122.287 122.287 121.066 1.221 18507 7304 1 13 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.761 -0.235 18507 7305 1 13 . 1 1 100 100 ASP C C 100 175.823 175.823 177.687 -1.864 18507 7306 1 13 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.128 0.685 18507 7307 1 13 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.305 -0.367 18507 7308 1 13 . 1 1 100 100 ASP H H 100 8.288 8.288 8.627 -0.339 18507 7309 1 13 . 1 1 101 101 PHE N N 101 118.668 118.668 119.258 -0.590 18507 7310 1 13 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.469 0.106 18507 7311 1 13 . 1 1 101 101 PHE C C 101 175.279 175.279 175.626 -0.347 18507 7312 1 13 . 1 1 101 101 PHE CA C 101 57.462 57.462 59.504 -2.042 18507 7313 1 13 . 1 1 101 101 PHE CB C 101 39.557 39.557 38.253 1.304 18507 7314 1 13 . 1 1 101 101 PHE H H 101 7.923 7.923 8.204 -0.281 18507 7315 1 13 . 1 1 102 102 GLU N N 102 122.081 122.081 118.008 4.073 18507 7316 1 13 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.550 0.630 18507 7317 1 13 . 1 1 102 102 GLU C C 102 175.388 175.388 176.626 -1.238 18507 7318 1 13 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.243 -0.935 18507 7319 1 13 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.020 1.565 18507 7320 1 13 . 1 1 102 102 GLU H H 102 8.138 8.138 7.778 0.360 18507 7321 1 13 . 1 1 103 103 VAL N N 103 120.545 120.545 120.740 -0.195 18507 7322 1 13 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.897 0.127 18507 7323 1 13 . 1 1 103 103 VAL C C 103 175.359 175.359 175.886 -0.527 18507 7324 1 13 . 1 1 103 103 VAL CA C 103 61.673 61.673 62.399 -0.726 18507 7325 1 13 . 1 1 103 103 VAL CB C 103 33.098 33.098 31.904 1.194 18507 7326 1 13 . 1 1 103 103 VAL H H 103 7.934 7.934 7.229 0.705 18507 7327 1 13 . 1 1 104 104 PHE N N 104 124.359 124.359 124.989 -0.630 18507 7328 1 13 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.601 0.094 18507 7329 1 13 . 1 1 104 104 PHE C C 104 174.530 174.530 175.695 -1.165 18507 7330 1 13 . 1 1 104 104 PHE CA C 104 57.140 57.140 57.693 -0.553 18507 7331 1 13 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.382 0.582 18507 7332 1 13 . 1 1 104 104 PHE H H 104 8.340 8.340 8.547 -0.207 18507 7333 1 14 . 1 1 2 2 ALA N N 2 129.609 129.609 122.684 6.925 18507 7334 1 14 . 1 1 2 2 ALA HA H 2 4.336 4.336 5.079 -0.743 18507 7335 1 14 . 1 1 2 2 ALA C C 2 177.730 177.730 177.689 0.041 18507 7336 1 14 . 1 1 2 2 ALA CA C 2 52.590 52.590 53.037 -0.447 18507 7337 1 14 . 1 1 2 2 ALA CB C 2 19.509 19.509 19.500 0.009 18507 7338 1 14 . 1 1 2 2 ALA H H 2 8.252 8.252 9.694 -1.442 18507 7339 1 14 . 1 1 3 3 MET N N 3 119.597 119.597 116.682 2.915 18507 7340 1 14 . 1 1 3 3 MET HA H 3 4.457 4.457 5.229 -0.772 18507 7341 1 14 . 1 1 3 3 MET C C 3 176.640 176.640 175.670 0.970 18507 7342 1 14 . 1 1 3 3 MET CA C 3 55.433 55.433 55.181 0.252 18507 7343 1 14 . 1 1 3 3 MET CB C 3 32.141 32.141 35.094 -2.953 18507 7344 1 14 . 1 1 3 3 MET H H 3 8.526 8.526 9.575 -1.049 18507 7345 1 14 . 1 1 4 4 GLY N N 4 110.104 110.104 109.078 1.026 18507 7346 1 14 . 1 1 4 4 GLY C C 4 173.846 173.846 173.274 0.572 18507 7347 1 14 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.943 0.346 18507 7348 1 14 . 1 1 4 4 GLY H H 4 8.388 8.388 8.966 -0.578 18507 7349 1 14 . 1 1 5 5 ILE N N 5 120.177 120.177 119.897 0.280 18507 7350 1 14 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.540 -0.398 18507 7351 1 14 . 1 1 5 5 ILE C C 5 176.245 176.245 176.732 -0.487 18507 7352 1 14 . 1 1 5 5 ILE CA C 5 60.706 60.706 61.273 -0.567 18507 7353 1 14 . 1 1 5 5 ILE CB C 5 38.686 38.686 38.577 0.110 18507 7354 1 14 . 1 1 5 5 ILE H H 5 7.995 7.995 8.260 -0.265 18507 7355 1 14 . 1 1 6 6 ARG N N 6 125.295 125.295 121.842 3.453 18507 7356 1 14 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.221 0.127 18507 7357 1 14 . 1 1 6 6 ARG C C 6 174.908 174.908 175.747 -0.839 18507 7358 1 14 . 1 1 6 6 ARG CA C 6 55.812 55.812 56.659 -0.847 18507 7359 1 14 . 1 1 6 6 ARG CB C 6 30.829 30.829 30.145 0.684 18507 7360 1 14 . 1 1 6 6 ARG H H 6 8.451 8.451 8.111 0.340 18507 7361 1 14 . 1 1 7 7 ASN N N 7 125.979 125.979 117.716 8.263 18507 7362 1 14 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.762 -0.279 18507 7363 1 14 . 1 1 7 7 ASN C C 7 175.993 175.993 174.484 1.509 18507 7364 1 14 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.431 2.268 18507 7365 1 14 . 1 1 7 7 ASN CB C 7 40.744 40.744 40.086 0.658 18507 7366 1 14 . 1 1 7 7 ASN H H 7 8.072 8.072 8.254 -0.182 18507 7367 1 14 . 1 1 8 8 SER N N 8 120.939 120.939 114.223 6.716 18507 7368 1 14 . 1 1 8 8 SER C C 8 174.402 174.402 173.925 0.477 18507 7369 1 14 . 1 1 8 8 SER CA C 8 58.678 58.678 59.630 -0.952 18507 7370 1 14 . 1 1 8 8 SER CB C 8 63.735 63.735 62.098 1.637 18507 7371 1 14 . 1 1 8 8 SER H H 8 8.363 8.363 8.758 -0.395 18507 7372 1 14 . 1 1 9 9 ASP N N 9 122.169 122.169 119.175 2.994 18507 7373 1 14 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.591 0.021 18507 7374 1 14 . 1 1 9 9 ASP C C 9 176.302 176.302 176.990 -0.688 18507 7375 1 14 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.334 0.333 18507 7376 1 14 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.220 -0.128 18507 7377 1 14 . 1 1 9 9 ASP H H 9 8.334 8.334 8.378 -0.044 18507 7378 1 14 . 1 1 10 10 SER N N 10 115.330 115.330 115.769 -0.439 18507 7379 1 14 . 1 1 10 10 SER HA H 10 4.408 4.408 4.372 0.036 18507 7380 1 14 . 1 1 10 10 SER C C 10 174.338 174.338 173.962 0.376 18507 7381 1 14 . 1 1 10 10 SER CA C 10 58.421 58.421 58.146 0.275 18507 7382 1 14 . 1 1 10 10 SER CB C 10 63.749 63.749 64.036 -0.287 18507 7383 1 14 . 1 1 10 10 SER H H 10 8.130 8.130 8.069 0.061 18507 7384 1 14 . 1 1 11 11 VAL N N 11 121.719 121.719 116.259 5.460 18507 7385 1 14 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.272 -0.184 18507 7386 1 14 . 1 1 11 11 VAL C C 11 175.837 175.837 174.810 1.027 18507 7387 1 14 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.496 0.476 18507 7388 1 14 . 1 1 11 11 VAL CB C 11 32.508 32.508 31.991 0.517 18507 7389 1 14 . 1 1 11 11 VAL H H 11 8.040 8.040 8.149 -0.109 18507 7390 1 14 . 1 1 12 12 LYS N N 12 126.544 126.544 128.683 -2.139 18507 7391 1 14 . 1 1 12 12 LYS H H 12 8.349 8.349 8.390 -0.041 18507 7392 1 14 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.357 0.102 18507 7393 1 14 . 1 1 13 13 PRO C C 13 177.038 177.038 176.739 0.299 18507 7394 1 14 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.851 -0.983 18507 7395 1 14 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.990 0.192 18507 7396 1 14 . 1 1 14 14 THR N N 14 114.515 114.515 111.090 3.425 18507 7397 1 14 . 1 1 14 14 THR HA H 14 4.255 4.255 4.470 -0.215 18507 7398 1 14 . 1 1 14 14 THR C C 14 174.477 174.477 173.356 1.121 18507 7399 1 14 . 1 1 14 14 THR CA C 14 61.813 61.813 61.984 -0.171 18507 7400 1 14 . 1 1 14 14 THR CB C 14 69.675 69.675 69.587 0.088 18507 7401 1 14 . 1 1 14 14 THR H H 14 8.234 8.234 7.648 0.586 18507 7402 1 14 . 1 1 15 15 GLN N N 15 122.586 122.586 124.206 -1.620 18507 7403 1 14 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.553 -0.207 18507 7404 1 14 . 1 1 15 15 GLN C C 15 175.452 175.452 175.284 0.168 18507 7405 1 14 . 1 1 15 15 GLN CA C 15 55.562 55.562 55.814 -0.252 18507 7406 1 14 . 1 1 15 15 GLN CB C 15 29.535 29.535 30.393 -0.858 18507 7407 1 14 . 1 1 15 15 GLN H H 15 8.380 8.380 8.437 -0.057 18507 7408 1 14 . 1 1 16 16 GLN N N 16 122.137 122.137 125.113 -2.976 18507 7409 1 14 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.589 -0.329 18507 7410 1 14 . 1 1 16 16 GLN C C 16 175.050 175.050 174.076 0.974 18507 7411 1 14 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.767 -0.224 18507 7412 1 14 . 1 1 16 16 GLN CB C 16 29.726 29.726 30.462 -0.736 18507 7413 1 14 . 1 1 16 16 GLN H H 16 8.457 8.457 8.586 -0.129 18507 7414 1 14 . 1 1 17 17 ALA N N 17 125.292 125.292 123.829 1.463 18507 7415 1 14 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.478 -0.167 18507 7416 1 14 . 1 1 17 17 ALA C C 17 176.628 176.628 175.913 0.715 18507 7417 1 14 . 1 1 17 17 ALA CA C 17 51.712 51.712 52.099 -0.387 18507 7418 1 14 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.735 -0.768 18507 7419 1 14 . 1 1 17 17 ALA H H 17 8.323 8.323 8.331 -0.008 18507 7420 1 14 . 1 1 18 18 ARG N N 18 122.106 122.106 120.853 1.253 18507 7421 1 14 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.702 -0.081 18507 7422 1 14 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.495 -0.269 18507 7423 1 14 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.809 -0.034 18507 7424 1 14 . 1 1 18 18 ARG H H 18 8.591 8.591 8.666 -0.075 18507 7425 1 14 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.489 0.095 18507 7426 1 14 . 1 1 19 19 PRO C C 19 176.098 176.098 176.236 -0.138 18507 7427 1 14 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.560 0.401 18507 7428 1 14 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.354 -0.209 18507 7429 1 14 . 1 1 20 20 THR N N 20 121.694 121.694 113.440 8.254 18507 7430 1 14 . 1 1 20 20 THR HA H 20 4.228 4.228 4.384 -0.156 18507 7431 1 14 . 1 1 20 20 THR C C 20 172.413 172.413 174.227 -1.814 18507 7432 1 14 . 1 1 20 20 THR CA C 20 62.891 62.891 59.690 3.201 18507 7433 1 14 . 1 1 20 20 THR CB C 20 71.036 71.036 70.085 0.951 18507 7434 1 14 . 1 1 20 20 THR H H 20 9.046 9.046 8.105 0.941 18507 7435 1 14 . 1 1 21 21 VAL N N 21 127.141 127.141 124.636 2.505 18507 7436 1 14 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.167 0.380 18507 7437 1 14 . 1 1 21 21 VAL C C 21 175.345 175.345 174.518 0.827 18507 7438 1 14 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.261 -0.482 18507 7439 1 14 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.474 0.785 18507 7440 1 14 . 1 1 21 21 VAL H H 21 8.572 8.572 8.361 0.211 18507 7441 1 14 . 1 1 22 22 ILE N N 22 130.341 130.341 127.268 3.073 18507 7442 1 14 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.537 -0.244 18507 7443 1 14 . 1 1 22 22 ILE C C 22 173.794 173.794 174.253 -0.459 18507 7444 1 14 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.835 -1.384 18507 7445 1 14 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.454 -2.790 18507 7446 1 14 . 1 1 22 22 ILE H H 22 8.913 8.913 8.112 0.801 18507 7447 1 14 . 1 1 23 23 ARG N N 23 125.596 125.596 126.710 -1.114 18507 7448 1 14 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.139 0.370 18507 7449 1 14 . 1 1 23 23 ARG C C 23 174.125 174.125 174.594 -0.469 18507 7450 1 14 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.703 -1.698 18507 7451 1 14 . 1 1 23 23 ARG CB C 23 34.584 34.584 33.658 0.926 18507 7452 1 14 . 1 1 23 23 ARG H H 23 8.595 8.595 8.908 -0.313 18507 7453 1 14 . 1 1 24 24 TRP N N 24 123.124 123.124 126.751 -3.627 18507 7454 1 14 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.843 -0.056 18507 7455 1 14 . 1 1 24 24 TRP C C 24 177.208 177.208 173.569 3.639 18507 7456 1 14 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.040 -0.066 18507 7457 1 14 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.529 -0.122 18507 7458 1 14 . 1 1 24 24 TRP H H 24 9.098 9.098 9.100 -0.002 18507 7459 1 14 . 1 1 25 25 SER N N 25 123.623 123.623 120.448 3.175 18507 7460 1 14 . 1 1 25 25 SER HA H 25 4.827 4.827 4.698 0.129 18507 7461 1 14 . 1 1 25 25 SER CA C 25 58.442 58.442 57.150 1.292 18507 7462 1 14 . 1 1 25 25 SER CB C 25 63.993 63.993 64.625 -0.632 18507 7463 1 14 . 1 1 25 25 SER H H 25 8.837 8.837 7.915 0.922 18507 7464 1 14 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.398 -0.257 18507 7465 1 14 . 1 1 26 26 GLU C C 26 175.915 175.915 176.147 -0.232 18507 7466 1 14 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.543 -1.279 18507 7467 1 14 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.366 -1.082 18507 7468 1 14 . 1 1 27 27 GLY N N 27 109.186 109.186 109.219 -0.033 18507 7469 1 14 . 1 1 27 27 GLY C C 27 173.380 173.380 173.938 -0.558 18507 7470 1 14 . 1 1 27 27 GLY CA C 27 44.632 44.632 44.940 -0.308 18507 7471 1 14 . 1 1 27 27 GLY H H 27 8.434 8.434 8.337 0.097 18507 7472 1 14 . 1 1 28 28 GLY N N 28 106.478 106.478 107.371 -0.893 18507 7473 1 14 . 1 1 28 28 GLY C C 28 172.572 172.572 174.945 -2.373 18507 7474 1 14 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.068 -0.371 18507 7475 1 14 . 1 1 28 28 GLY H H 28 7.948 7.948 7.850 0.098 18507 7476 1 14 . 1 1 29 29 LYS N N 29 120.742 120.742 117.854 2.888 18507 7477 1 14 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.493 0.122 18507 7478 1 14 . 1 1 29 29 LYS C C 29 177.173 177.173 175.952 1.221 18507 7479 1 14 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.889 1.062 18507 7480 1 14 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.459 0.376 18507 7481 1 14 . 1 1 29 29 LYS H H 29 10.077 10.077 8.267 1.810 18507 7482 1 14 . 1 1 30 30 GLU N N 30 121.578 121.578 117.787 3.791 18507 7483 1 14 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.443 -0.246 18507 7484 1 14 . 1 1 30 30 GLU C C 30 173.541 173.541 173.786 -0.245 18507 7485 1 14 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.320 0.660 18507 7486 1 14 . 1 1 30 30 GLU CB C 30 32.473 32.473 32.187 0.286 18507 7487 1 14 . 1 1 30 30 GLU H H 30 8.810 8.810 7.800 1.010 18507 7488 1 14 . 1 1 31 31 VAL N N 31 124.182 124.182 122.346 1.836 18507 7489 1 14 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.699 -0.159 18507 7490 1 14 . 1 1 31 31 VAL C C 31 173.552 173.552 174.212 -0.660 18507 7491 1 14 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.243 0.992 18507 7492 1 14 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.099 2.162 18507 7493 1 14 . 1 1 31 31 VAL H H 31 7.704 7.704 8.317 -0.613 18507 7494 1 14 . 1 1 32 32 PHE N N 32 123.930 123.930 124.593 -0.663 18507 7495 1 14 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.403 0.164 18507 7496 1 14 . 1 1 32 32 PHE C C 32 174.872 174.872 174.376 0.496 18507 7497 1 14 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.460 -1.475 18507 7498 1 14 . 1 1 32 32 PHE CB C 32 44.349 44.349 44.030 0.319 18507 7499 1 14 . 1 1 32 32 PHE H H 32 8.856 8.856 8.221 0.635 18507 7500 1 14 . 1 1 33 33 ILE N N 33 116.493 116.493 121.072 -4.579 18507 7501 1 14 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.557 -0.077 18507 7502 1 14 . 1 1 33 33 ILE C C 33 174.067 174.067 174.099 -0.032 18507 7503 1 14 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.206 0.303 18507 7504 1 14 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.871 1.423 18507 7505 1 14 . 1 1 33 33 ILE H H 33 9.316 9.316 9.177 0.139 18507 7506 1 14 . 1 1 34 34 SER N N 34 116.962 116.962 121.856 -4.894 18507 7507 1 14 . 1 1 34 34 SER HA H 34 4.496 4.496 4.787 -0.291 18507 7508 1 14 . 1 1 34 34 SER C C 34 170.691 170.691 171.849 -1.158 18507 7509 1 14 . 1 1 34 34 SER CA C 34 57.343 57.343 56.857 0.486 18507 7510 1 14 . 1 1 34 34 SER CB C 34 67.249 67.249 65.123 2.126 18507 7511 1 14 . 1 1 34 34 SER H H 34 8.518 8.518 8.653 -0.135 18507 7512 1 14 . 1 1 35 35 GLY N N 35 106.806 106.806 109.024 -2.218 18507 7513 1 14 . 1 1 35 35 GLY C C 35 172.451 172.451 172.285 0.166 18507 7514 1 14 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.362 1.698 18507 7515 1 14 . 1 1 35 35 GLY H H 35 7.200 7.200 7.149 0.051 18507 7516 1 14 . 1 1 36 36 SER N N 36 115.550 115.550 116.124 -0.574 18507 7517 1 14 . 1 1 36 36 SER HA H 36 3.388 3.388 4.293 -0.905 18507 7518 1 14 . 1 1 36 36 SER C C 36 177.094 177.094 176.972 0.122 18507 7519 1 14 . 1 1 36 36 SER CA C 36 60.882 60.882 60.760 0.122 18507 7520 1 14 . 1 1 36 36 SER CB C 36 61.978 61.978 63.498 -1.520 18507 7521 1 14 . 1 1 36 36 SER H H 36 8.952 8.952 7.866 1.086 18507 7522 1 14 . 1 1 37 37 PHE N N 37 118.633 118.633 117.870 0.763 18507 7523 1 14 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.269 0.192 18507 7524 1 14 . 1 1 37 37 PHE C C 37 175.254 175.254 175.453 -0.199 18507 7525 1 14 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.212 -1.456 18507 7526 1 14 . 1 1 37 37 PHE CB C 37 37.763 37.763 38.042 -0.279 18507 7527 1 14 . 1 1 37 37 PHE H H 37 6.475 6.475 7.997 -1.522 18507 7528 1 14 . 1 1 38 38 ASN N N 38 119.885 119.885 116.202 3.683 18507 7529 1 14 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.679 0.261 18507 7530 1 14 . 1 1 38 38 ASN C C 38 175.954 175.954 174.938 1.016 18507 7531 1 14 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.794 -0.513 18507 7532 1 14 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.729 -2.528 18507 7533 1 14 . 1 1 38 38 ASN H H 38 6.610 6.610 6.986 -0.376 18507 7534 1 14 . 1 1 39 39 ASN N N 39 117.264 117.264 118.433 -1.169 18507 7535 1 14 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.480 -0.170 18507 7536 1 14 . 1 1 39 39 ASN C C 39 173.171 173.171 174.885 -1.714 18507 7537 1 14 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.464 0.324 18507 7538 1 14 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.224 -0.230 18507 7539 1 14 . 1 1 39 39 ASN H H 39 7.822 7.822 7.823 -0.001 18507 7540 1 14 . 1 1 40 40 TRP N N 40 113.463 113.463 113.989 -0.526 18507 7541 1 14 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.172 -0.171 18507 7542 1 14 . 1 1 40 40 TRP C C 40 177.457 177.457 176.536 0.921 18507 7543 1 14 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.816 -0.231 18507 7544 1 14 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.447 -1.660 18507 7545 1 14 . 1 1 40 40 TRP H H 40 8.300 8.300 7.691 0.609 18507 7546 1 14 . 1 1 41 41 SER N N 41 113.321 113.321 114.584 -1.263 18507 7547 1 14 . 1 1 41 41 SER HA H 41 4.216 4.216 4.614 -0.398 18507 7548 1 14 . 1 1 41 41 SER C C 41 174.913 174.913 174.313 0.600 18507 7549 1 14 . 1 1 41 41 SER CA C 41 60.460 60.460 58.843 1.617 18507 7550 1 14 . 1 1 41 41 SER CB C 41 64.591 64.591 64.085 0.506 18507 7551 1 14 . 1 1 41 41 SER H H 41 7.549 7.549 8.384 -0.835 18507 7552 1 14 . 1 1 42 42 THR N N 42 112.097 112.097 115.149 -3.052 18507 7553 1 14 . 1 1 42 42 THR HA H 42 4.576 4.576 4.398 0.178 18507 7554 1 14 . 1 1 42 42 THR C C 42 174.798 174.798 172.404 2.394 18507 7555 1 14 . 1 1 42 42 THR CA C 42 59.920 59.920 62.100 -2.180 18507 7556 1 14 . 1 1 42 42 THR CB C 42 71.457 71.457 70.730 0.728 18507 7557 1 14 . 1 1 42 42 THR H H 42 7.088 7.088 7.751 -0.663 18507 7558 1 14 . 1 1 43 43 LYS N N 43 122.104 122.104 126.256 -4.152 18507 7559 1 14 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.669 0.003 18507 7560 1 14 . 1 1 43 43 LYS C C 43 174.839 174.839 176.226 -1.387 18507 7561 1 14 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.814 0.479 18507 7562 1 14 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.365 -0.028 18507 7563 1 14 . 1 1 43 43 LYS H H 43 8.466 8.466 8.265 0.201 18507 7564 1 14 . 1 1 44 44 ILE N N 44 128.655 128.655 126.986 1.669 18507 7565 1 14 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.539 0.089 18507 7566 1 14 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.277 0.295 18507 7567 1 14 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.606 1.498 18507 7568 1 14 . 1 1 44 44 ILE H H 44 9.596 9.596 9.070 0.526 18507 7569 1 14 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.329 -0.024 18507 7570 1 14 . 1 1 45 45 PRO C C 45 174.315 174.315 176.069 -1.754 18507 7571 1 14 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.518 0.213 18507 7572 1 14 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.299 -0.053 18507 7573 1 14 . 1 1 46 46 LEU N N 46 122.198 122.198 125.189 -2.991 18507 7574 1 14 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.493 0.020 18507 7575 1 14 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.910 1.643 18507 7576 1 14 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.872 -0.062 18507 7577 1 14 . 1 1 46 46 LEU H H 46 8.157 8.157 7.485 0.672 18507 7578 1 14 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.855 0.495 18507 7579 1 14 . 1 1 47 47 ILE C C 47 175.903 175.903 176.063 -0.160 18507 7580 1 14 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.066 -1.652 18507 7581 1 14 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.616 2.780 18507 7582 1 14 . 1 1 48 48 LYS N N 48 128.033 128.033 128.812 -0.779 18507 7583 1 14 . 1 1 48 48 LYS HA H 48 3.906 3.906 4.003 -0.097 18507 7584 1 14 . 1 1 48 48 LYS C C 48 176.252 176.252 175.889 0.363 18507 7585 1 14 . 1 1 48 48 LYS CA C 48 56.702 56.702 57.069 -0.367 18507 7586 1 14 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.763 -0.167 18507 7587 1 14 . 1 1 48 48 LYS H H 48 8.661 8.661 8.457 0.204 18507 7588 1 14 . 1 1 49 49 SER N N 49 122.194 122.194 119.002 3.192 18507 7589 1 14 . 1 1 49 49 SER HA H 49 4.367 4.367 4.599 -0.232 18507 7590 1 14 . 1 1 49 49 SER CA C 49 56.282 56.282 56.430 -0.148 18507 7591 1 14 . 1 1 49 49 SER CB C 49 62.849 62.849 64.302 -1.454 18507 7592 1 14 . 1 1 49 49 SER H H 49 8.638 8.638 8.134 0.504 18507 7593 1 14 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.391 -0.349 18507 7594 1 14 . 1 1 50 50 HIS CA C 50 57.984 57.984 57.426 0.558 18507 7595 1 14 . 1 1 50 50 HIS CB C 50 27.897 27.897 30.138 -2.241 18507 7596 1 14 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.676 0.039 18507 7597 1 14 . 1 1 51 51 ASN C C 51 174.091 174.091 174.397 -0.306 18507 7598 1 14 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.135 -0.359 18507 7599 1 14 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.344 -0.211 18507 7600 1 14 . 1 1 52 52 ASP N N 52 119.149 119.149 117.049 2.100 18507 7601 1 14 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.585 0.377 18507 7602 1 14 . 1 1 52 52 ASP C C 52 174.069 174.069 174.013 0.056 18507 7603 1 14 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.519 0.025 18507 7604 1 14 . 1 1 52 52 ASP CB C 52 43.556 43.556 43.262 0.294 18507 7605 1 14 . 1 1 52 52 ASP H H 52 8.031 8.031 7.425 0.606 18507 7606 1 14 . 1 1 53 53 PHE N N 53 118.169 118.169 118.449 -0.280 18507 7607 1 14 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.636 0.514 18507 7608 1 14 . 1 1 53 53 PHE C C 53 175.583 175.583 175.760 -0.177 18507 7609 1 14 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.113 -0.741 18507 7610 1 14 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.251 1.640 18507 7611 1 14 . 1 1 53 53 PHE H H 53 8.534 8.534 8.913 -0.379 18507 7612 1 14 . 1 1 54 54 VAL N N 54 118.983 118.983 114.685 4.298 18507 7613 1 14 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.921 0.404 18507 7614 1 14 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.103 1.031 18507 7615 1 14 . 1 1 54 54 VAL CB C 54 36.749 36.749 35.968 0.781 18507 7616 1 14 . 1 1 54 54 VAL H H 54 9.324 9.324 8.105 1.219 18507 7617 1 14 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.757 -0.050 18507 7618 1 14 . 1 1 55 55 ALA C C 55 174.786 174.786 175.396 -0.610 18507 7619 1 14 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.667 0.220 18507 7620 1 14 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.524 -0.836 18507 7621 1 14 . 1 1 56 56 ILE N N 56 120.457 120.457 120.599 -0.142 18507 7622 1 14 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.387 0.165 18507 7623 1 14 . 1 1 56 56 ILE C C 56 175.419 175.419 174.482 0.937 18507 7624 1 14 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.778 1.145 18507 7625 1 14 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.606 -0.115 18507 7626 1 14 . 1 1 56 56 ILE H H 56 8.239 8.239 8.641 -0.402 18507 7627 1 14 . 1 1 57 57 LEU N N 57 127.392 127.392 123.248 4.144 18507 7628 1 14 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.702 -0.196 18507 7629 1 14 . 1 1 57 57 LEU C C 57 175.108 175.108 175.217 -0.109 18507 7630 1 14 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.600 0.142 18507 7631 1 14 . 1 1 57 57 LEU CB C 57 45.170 45.170 46.095 -0.925 18507 7632 1 14 . 1 1 57 57 LEU H H 57 8.828 8.828 7.907 0.921 18507 7633 1 14 . 1 1 58 58 ASP N N 58 124.255 124.255 120.633 3.622 18507 7634 1 14 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.707 -0.079 18507 7635 1 14 . 1 1 58 58 ASP C C 58 175.066 175.066 175.621 -0.555 18507 7636 1 14 . 1 1 58 58 ASP CA C 58 52.941 52.941 53.960 -1.019 18507 7637 1 14 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.248 -0.541 18507 7638 1 14 . 1 1 58 58 ASP H H 58 8.571 8.571 8.383 0.188 18507 7639 1 14 . 1 1 59 59 LEU N N 59 124.092 124.092 124.961 -0.869 18507 7640 1 14 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.789 -0.254 18507 7641 1 14 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.190 -0.317 18507 7642 1 14 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.299 -0.265 18507 7643 1 14 . 1 1 59 59 LEU H H 59 7.681 7.681 8.144 -0.463 18507 7644 1 14 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.491 0.110 18507 7645 1 14 . 1 1 60 60 PRO C C 60 175.599 175.599 176.166 -0.567 18507 7646 1 14 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.144 -0.662 18507 7647 1 14 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.469 0.199 18507 7648 1 14 . 1 1 61 61 GLU N N 61 119.164 119.164 122.604 -3.440 18507 7649 1 14 . 1 1 61 61 GLU HA H 61 3.859 3.859 4.075 -0.216 18507 7650 1 14 . 1 1 61 61 GLU C C 61 176.121 176.121 175.255 0.866 18507 7651 1 14 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.956 -0.499 18507 7652 1 14 . 1 1 61 61 GLU CB C 61 30.249 30.249 28.741 1.508 18507 7653 1 14 . 1 1 61 61 GLU H H 61 8.500 8.500 8.620 -0.120 18507 7654 1 14 . 1 1 62 62 GLY N N 62 111.529 111.529 114.478 -2.949 18507 7655 1 14 . 1 1 62 62 GLY C C 62 171.313 171.313 171.847 -0.534 18507 7656 1 14 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.211 -1.742 18507 7657 1 14 . 1 1 62 62 GLY H H 62 8.845 8.845 7.657 1.188 18507 7658 1 14 . 1 1 63 63 GLU N N 63 119.100 119.100 122.418 -3.318 18507 7659 1 14 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.772 0.010 18507 7660 1 14 . 1 1 63 63 GLU C C 63 175.530 175.530 174.538 0.992 18507 7661 1 14 . 1 1 63 63 GLU CA C 63 54.978 54.978 55.260 -0.282 18507 7662 1 14 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.569 -1.186 18507 7663 1 14 . 1 1 63 63 GLU H H 63 8.015 8.015 8.239 -0.224 18507 7664 1 14 . 1 1 64 64 HIS N N 64 121.786 121.786 121.630 0.156 18507 7665 1 14 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.126 -0.309 18507 7666 1 14 . 1 1 64 64 HIS C C 64 174.358 174.358 173.425 0.933 18507 7667 1 14 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.915 0.055 18507 7668 1 14 . 1 1 64 64 HIS CB C 64 34.109 34.109 32.842 1.268 18507 7669 1 14 . 1 1 64 64 HIS H H 64 8.830 8.830 9.012 -0.182 18507 7670 1 14 . 1 1 65 65 GLN N N 65 121.667 121.667 118.710 2.957 18507 7671 1 14 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.914 0.847 18507 7672 1 14 . 1 1 65 65 GLN C C 65 175.833 175.833 174.430 1.403 18507 7673 1 14 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.100 -1.267 18507 7674 1 14 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.969 0.296 18507 7675 1 14 . 1 1 65 65 GLN H H 65 8.637 8.637 8.980 -0.343 18507 7676 1 14 . 1 1 66 66 TYR N N 66 116.908 116.908 120.102 -3.194 18507 7677 1 14 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.361 -0.186 18507 7678 1 14 . 1 1 66 66 TYR C C 66 171.751 171.751 173.885 -2.134 18507 7679 1 14 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.823 2.160 18507 7680 1 14 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.795 -1.065 18507 7681 1 14 . 1 1 66 66 TYR H H 66 8.894 8.894 7.607 1.287 18507 7682 1 14 . 1 1 67 67 LYS N N 67 118.307 118.307 118.207 0.100 18507 7683 1 14 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.744 -0.111 18507 7684 1 14 . 1 1 67 67 LYS C C 67 173.317 173.317 175.029 -1.712 18507 7685 1 14 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.801 2.075 18507 7686 1 14 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.945 0.255 18507 7687 1 14 . 1 1 67 67 LYS H H 67 8.927 8.927 8.549 0.378 18507 7688 1 14 . 1 1 68 68 PHE N N 68 118.691 118.691 122.545 -3.854 18507 7689 1 14 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.268 0.263 18507 7690 1 14 . 1 1 68 68 PHE C C 68 173.861 173.861 175.502 -1.641 18507 7691 1 14 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.589 0.359 18507 7692 1 14 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.018 0.254 18507 7693 1 14 . 1 1 68 68 PHE H H 68 8.436 8.436 8.308 0.128 18507 7694 1 14 . 1 1 69 69 PHE N N 69 125.718 125.718 123.838 1.880 18507 7695 1 14 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.863 -0.140 18507 7696 1 14 . 1 1 69 69 PHE C C 69 174.574 174.574 173.289 1.285 18507 7697 1 14 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.533 -0.698 18507 7698 1 14 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.678 -0.522 18507 7699 1 14 . 1 1 69 69 PHE H H 69 9.000 9.000 8.825 0.175 18507 7700 1 14 . 1 1 70 70 VAL N N 70 126.808 126.808 125.612 1.196 18507 7701 1 14 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.660 -0.337 18507 7702 1 14 . 1 1 70 70 VAL C C 70 175.641 175.641 175.651 -0.010 18507 7703 1 14 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.746 0.762 18507 7704 1 14 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.688 -1.218 18507 7705 1 14 . 1 1 70 70 VAL H H 70 8.688 8.688 8.233 0.455 18507 7706 1 14 . 1 1 71 71 ASP N N 71 128.747 128.747 124.528 4.219 18507 7707 1 14 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.200 0.035 18507 7708 1 14 . 1 1 71 71 ASP C C 71 176.119 176.119 176.397 -0.278 18507 7709 1 14 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.919 0.730 18507 7710 1 14 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.059 -0.430 18507 7711 1 14 . 1 1 71 71 ASP H H 71 8.890 8.890 9.096 -0.206 18507 7712 1 14 . 1 1 72 72 GLY N N 72 100.856 100.856 103.923 -3.067 18507 7713 1 14 . 1 1 72 72 GLY C C 72 173.149 173.149 173.269 -0.120 18507 7714 1 14 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.197 0.058 18507 7715 1 14 . 1 1 72 72 GLY H H 72 7.437 7.437 8.408 -0.971 18507 7716 1 14 . 1 1 73 73 GLN N N 73 117.716 117.716 114.658 3.058 18507 7717 1 14 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.419 0.061 18507 7718 1 14 . 1 1 73 73 GLN C C 73 173.981 173.981 173.260 0.721 18507 7719 1 14 . 1 1 73 73 GLN CA C 73 53.285 53.285 52.940 0.345 18507 7720 1 14 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.786 1.124 18507 7721 1 14 . 1 1 73 73 GLN H H 73 6.923 6.923 6.746 0.177 18507 7722 1 14 . 1 1 74 74 TRP N N 74 123.738 123.738 122.601 1.137 18507 7723 1 14 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.191 0.622 18507 7724 1 14 . 1 1 74 74 TRP C C 74 177.239 177.239 176.874 0.365 18507 7725 1 14 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.574 -0.786 18507 7726 1 14 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.839 0.079 18507 7727 1 14 . 1 1 74 74 TRP H H 74 8.836 8.836 8.770 0.066 18507 7728 1 14 . 1 1 75 75 VAL N N 75 121.900 121.900 118.620 3.280 18507 7729 1 14 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.564 0.422 18507 7730 1 14 . 1 1 75 75 VAL C C 75 172.903 172.903 174.041 -1.138 18507 7731 1 14 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.152 1.473 18507 7732 1 14 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.119 1.535 18507 7733 1 14 . 1 1 75 75 VAL H H 75 10.049 10.049 8.657 1.392 18507 7734 1 14 . 1 1 76 76 HIS N N 76 119.400 119.400 115.026 4.374 18507 7735 1 14 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.224 0.354 18507 7736 1 14 . 1 1 76 76 HIS C C 76 173.084 173.084 173.573 -0.489 18507 7737 1 14 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.460 -0.200 18507 7738 1 14 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.573 0.234 18507 7739 1 14 . 1 1 76 76 HIS H H 76 7.758 7.758 8.029 -0.271 18507 7740 1 14 . 1 1 77 77 ASP N N 77 121.057 121.057 121.727 -0.670 18507 7741 1 14 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.240 -0.136 18507 7742 1 14 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.484 -0.020 18507 7743 1 14 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.929 -0.660 18507 7744 1 14 . 1 1 77 77 ASP H H 77 10.717 10.717 8.917 1.800 18507 7745 1 14 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.554 -0.019 18507 7746 1 14 . 1 1 78 78 PRO C C 78 177.387 177.387 177.447 -0.060 18507 7747 1 14 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.187 -0.590 18507 7748 1 14 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.774 -0.448 18507 7749 1 14 . 1 1 79 79 SER N N 79 116.058 116.058 113.400 2.658 18507 7750 1 14 . 1 1 79 79 SER HA H 79 4.477 4.477 4.414 0.063 18507 7751 1 14 . 1 1 79 79 SER C C 79 173.819 173.819 174.850 -1.031 18507 7752 1 14 . 1 1 79 79 SER CA C 79 59.369 59.369 58.917 0.452 18507 7753 1 14 . 1 1 79 79 SER CB C 79 63.875 63.875 63.551 0.324 18507 7754 1 14 . 1 1 79 79 SER H H 79 8.853 8.853 8.078 0.775 18507 7755 1 14 . 1 1 80 80 GLU N N 80 122.620 122.620 120.566 2.054 18507 7756 1 14 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.671 0.288 18507 7757 1 14 . 1 1 80 80 GLU CA C 80 53.401 53.401 54.203 -0.802 18507 7758 1 14 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.066 0.554 18507 7759 1 14 . 1 1 80 80 GLU H H 80 7.332 7.332 7.410 -0.078 18507 7760 1 14 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.463 -0.024 18507 7761 1 14 . 1 1 81 81 PRO C C 81 177.020 177.020 175.573 1.447 18507 7762 1 14 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.055 0.641 18507 7763 1 14 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.334 -2.115 18507 7764 1 14 . 1 1 82 82 VAL N N 82 114.720 114.720 116.737 -2.017 18507 7765 1 14 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.930 0.537 18507 7766 1 14 . 1 1 82 82 VAL C C 82 175.787 175.787 174.785 1.002 18507 7767 1 14 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.301 -0.702 18507 7768 1 14 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.879 2.879 18507 7769 1 14 . 1 1 82 82 VAL H H 82 8.221 8.221 7.966 0.255 18507 7770 1 14 . 1 1 83 83 VAL N N 83 117.999 117.999 122.471 -4.472 18507 7771 1 14 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.507 -0.097 18507 7772 1 14 . 1 1 83 83 VAL C C 83 173.384 173.384 174.353 -0.969 18507 7773 1 14 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.396 -0.863 18507 7774 1 14 . 1 1 83 83 VAL CB C 83 35.305 35.305 35.361 -0.056 18507 7775 1 14 . 1 1 83 83 VAL H H 83 8.898 8.898 8.897 0.001 18507 7776 1 14 . 1 1 84 84 THR N N 84 120.469 120.469 122.738 -2.269 18507 7777 1 14 . 1 1 84 84 THR HA H 84 4.751 4.751 4.418 0.333 18507 7778 1 14 . 1 1 84 84 THR C C 84 174.975 174.975 173.906 1.069 18507 7779 1 14 . 1 1 84 84 THR CA C 84 61.446 61.446 62.679 -1.233 18507 7780 1 14 . 1 1 84 84 THR CB C 84 68.959 68.959 68.772 0.188 18507 7781 1 14 . 1 1 84 84 THR H H 84 8.309 8.309 8.336 -0.027 18507 7782 1 14 . 1 1 85 85 SER N N 85 123.544 123.544 121.591 1.953 18507 7783 1 14 . 1 1 85 85 SER HA H 85 4.533 4.533 4.313 0.220 18507 7784 1 14 . 1 1 85 85 SER CA C 85 57.027 57.027 57.311 -0.284 18507 7785 1 14 . 1 1 85 85 SER CB C 85 65.264 65.264 64.643 0.621 18507 7786 1 14 . 1 1 85 85 SER H H 85 9.137 9.137 8.388 0.749 18507 7787 1 14 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.150 -0.058 18507 7788 1 14 . 1 1 86 86 GLN C C 86 176.451 176.451 175.954 0.497 18507 7789 1 14 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.046 0.024 18507 7790 1 14 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.237 -0.102 18507 7791 1 14 . 1 1 87 87 LEU N N 87 117.032 117.032 119.298 -2.266 18507 7792 1 14 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.450 -0.191 18507 7793 1 14 . 1 1 87 87 LEU C C 87 177.470 177.470 177.474 -0.004 18507 7794 1 14 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.339 0.311 18507 7795 1 14 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.955 0.721 18507 7796 1 14 . 1 1 87 87 LEU H H 87 7.692 7.692 7.738 -0.046 18507 7797 1 14 . 1 1 88 88 GLY N N 88 107.770 107.770 108.593 -0.823 18507 7798 1 14 . 1 1 88 88 GLY C C 88 174.029 174.029 174.209 -0.180 18507 7799 1 14 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.675 -0.413 18507 7800 1 14 . 1 1 88 88 GLY H H 88 7.932 7.932 8.195 -0.263 18507 7801 1 14 . 1 1 89 89 THR N N 89 112.596 112.596 113.451 -0.855 18507 7802 1 14 . 1 1 89 89 THR HA H 89 4.259 4.259 4.578 -0.319 18507 7803 1 14 . 1 1 89 89 THR C C 89 172.837 172.837 174.558 -1.721 18507 7804 1 14 . 1 1 89 89 THR CA C 89 60.743 60.743 60.285 0.458 18507 7805 1 14 . 1 1 89 89 THR CB C 89 69.845 69.845 69.817 0.028 18507 7806 1 14 . 1 1 89 89 THR H H 89 7.148 7.148 7.319 -0.171 18507 7807 1 14 . 1 1 90 90 ILE N N 90 123.927 123.927 127.667 -3.740 18507 7808 1 14 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.168 0.242 18507 7809 1 14 . 1 1 90 90 ILE C C 90 175.007 175.007 175.279 -0.272 18507 7810 1 14 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.859 -0.308 18507 7811 1 14 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.803 2.132 18507 7812 1 14 . 1 1 90 90 ILE H H 90 8.514 8.514 8.882 -0.368 18507 7813 1 14 . 1 1 91 91 ASN N N 91 123.450 123.450 122.375 1.075 18507 7814 1 14 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.935 0.352 18507 7815 1 14 . 1 1 91 91 ASN C C 91 175.916 175.916 173.579 2.337 18507 7816 1 14 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.856 -0.880 18507 7817 1 14 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.243 0.932 18507 7818 1 14 . 1 1 91 91 ASN H H 91 8.497 8.497 8.630 -0.133 18507 7819 1 14 . 1 1 92 92 ASN N N 92 115.675 115.675 117.311 -1.636 18507 7820 1 14 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.601 1.010 18507 7821 1 14 . 1 1 92 92 ASN C C 92 173.765 173.765 173.725 0.040 18507 7822 1 14 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.799 1.013 18507 7823 1 14 . 1 1 92 92 ASN CB C 92 41.743 41.743 38.962 2.781 18507 7824 1 14 . 1 1 92 92 ASN H H 92 8.721 8.721 8.459 0.262 18507 7825 1 14 . 1 1 93 93 LEU N N 93 120.001 120.001 119.833 0.168 18507 7826 1 14 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.684 0.653 18507 7827 1 14 . 1 1 93 93 LEU C C 93 175.864 175.864 174.961 0.903 18507 7828 1 14 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.363 -0.841 18507 7829 1 14 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.457 1.666 18507 7830 1 14 . 1 1 93 93 LEU H H 93 7.661 7.661 7.735 -0.074 18507 7831 1 14 . 1 1 94 94 ILE N N 94 124.682 124.682 125.321 -0.639 18507 7832 1 14 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.376 0.471 18507 7833 1 14 . 1 1 94 94 ILE C C 94 172.078 172.078 173.224 -1.146 18507 7834 1 14 . 1 1 94 94 ILE CA C 94 59.351 59.351 59.843 -0.491 18507 7835 1 14 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.452 -0.361 18507 7836 1 14 . 1 1 94 94 ILE H H 94 9.282 9.282 9.278 0.004 18507 7837 1 14 . 1 1 95 95 HIS N N 95 126.782 126.782 125.590 1.192 18507 7838 1 14 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.118 -0.008 18507 7839 1 14 . 1 1 95 95 HIS C C 95 174.655 174.655 174.224 0.431 18507 7840 1 14 . 1 1 95 95 HIS CA C 95 54.334 54.334 53.458 0.876 18507 7841 1 14 . 1 1 95 95 HIS CB C 95 31.399 31.399 29.752 1.647 18507 7842 1 14 . 1 1 95 95 HIS H H 95 8.690 8.690 7.992 0.698 18507 7843 1 14 . 1 1 96 96 VAL N N 96 128.616 128.616 124.364 4.252 18507 7844 1 14 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.235 -0.120 18507 7845 1 14 . 1 1 96 96 VAL C C 96 175.515 175.515 175.326 0.189 18507 7846 1 14 . 1 1 96 96 VAL CA C 96 62.502 62.502 62.350 0.152 18507 7847 1 14 . 1 1 96 96 VAL CB C 96 32.332 32.332 32.755 -0.423 18507 7848 1 14 . 1 1 96 96 VAL H H 96 9.082 9.082 8.326 0.756 18507 7849 1 14 . 1 1 97 97 LYS N N 97 128.692 128.692 125.062 3.630 18507 7850 1 14 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.652 -0.102 18507 7851 1 14 . 1 1 97 97 LYS C C 97 176.019 176.019 174.550 1.469 18507 7852 1 14 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.428 0.663 18507 7853 1 14 . 1 1 97 97 LYS CB C 97 34.588 34.588 35.239 -0.651 18507 7854 1 14 . 1 1 97 97 LYS H H 97 8.708 8.708 8.131 0.577 18507 7855 1 14 . 1 1 98 98 LYS N N 98 122.635 122.635 120.928 1.707 18507 7856 1 14 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.348 -0.226 18507 7857 1 14 . 1 1 98 98 LYS C C 98 176.947 176.947 176.185 0.762 18507 7858 1 14 . 1 1 98 98 LYS CA C 98 57.232 57.232 56.606 0.625 18507 7859 1 14 . 1 1 98 98 LYS CB C 98 32.849 32.849 32.962 -0.113 18507 7860 1 14 . 1 1 98 98 LYS H H 98 8.717 8.717 8.331 0.386 18507 7861 1 14 . 1 1 99 99 SER N N 99 116.737 116.737 114.327 2.410 18507 7862 1 14 . 1 1 99 99 SER HA H 99 4.357 4.357 4.685 -0.328 18507 7863 1 14 . 1 1 99 99 SER C C 99 174.335 174.335 173.791 0.544 18507 7864 1 14 . 1 1 99 99 SER CA C 99 58.240 58.240 58.062 0.179 18507 7865 1 14 . 1 1 99 99 SER CB C 99 63.664 63.664 63.906 -0.242 18507 7866 1 14 . 1 1 99 99 SER H H 99 8.393 8.393 8.462 -0.069 18507 7867 1 14 . 1 1 100 100 ASP N N 100 122.287 122.287 120.990 1.297 18507 7868 1 14 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.717 -0.191 18507 7869 1 14 . 1 1 100 100 ASP C C 100 175.823 175.823 176.032 -0.209 18507 7870 1 14 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.453 0.360 18507 7871 1 14 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.297 -0.359 18507 7872 1 14 . 1 1 100 100 ASP H H 100 8.288 8.288 8.221 0.067 18507 7873 1 14 . 1 1 101 101 PHE N N 101 118.668 118.668 119.763 -1.095 18507 7874 1 14 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.445 0.130 18507 7875 1 14 . 1 1 101 101 PHE C C 101 175.279 175.279 176.345 -1.066 18507 7876 1 14 . 1 1 101 101 PHE CA C 101 57.462 57.462 59.409 -1.947 18507 7877 1 14 . 1 1 101 101 PHE CB C 101 39.557 39.557 40.270 -0.713 18507 7878 1 14 . 1 1 101 101 PHE H H 101 7.923 7.923 7.784 0.139 18507 7879 1 14 . 1 1 102 102 GLU N N 102 122.081 122.081 119.893 2.188 18507 7880 1 14 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.599 0.581 18507 7881 1 14 . 1 1 102 102 GLU C C 102 175.388 175.388 176.434 -1.046 18507 7882 1 14 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.996 -1.688 18507 7883 1 14 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.144 1.441 18507 7884 1 14 . 1 1 102 102 GLU H H 102 8.138 8.138 8.805 -0.667 18507 7885 1 14 . 1 1 103 103 VAL N N 103 120.545 120.545 119.569 0.976 18507 7886 1 14 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.928 0.096 18507 7887 1 14 . 1 1 103 103 VAL C C 103 175.359 175.359 175.451 -0.092 18507 7888 1 14 . 1 1 103 103 VAL CA C 103 61.673 61.673 62.041 -0.368 18507 7889 1 14 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.203 0.895 18507 7890 1 14 . 1 1 103 103 VAL H H 103 7.934 7.934 7.506 0.428 18507 7891 1 14 . 1 1 104 104 PHE N N 104 124.359 124.359 123.997 0.362 18507 7892 1 14 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.567 0.128 18507 7893 1 14 . 1 1 104 104 PHE C C 104 174.530 174.530 175.561 -1.031 18507 7894 1 14 . 1 1 104 104 PHE CA C 104 57.140 57.140 58.569 -1.429 18507 7895 1 14 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.667 0.297 18507 7896 1 14 . 1 1 104 104 PHE H H 104 8.340 8.340 8.540 -0.200 18507 7897 1 15 . 1 1 2 2 ALA N N 2 129.609 129.609 122.150 7.459 18507 7898 1 15 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.487 -0.151 18507 7899 1 15 . 1 1 2 2 ALA C C 2 177.730 177.730 177.426 0.304 18507 7900 1 15 . 1 1 2 2 ALA CA C 2 52.590 52.590 51.672 0.918 18507 7901 1 15 . 1 1 2 2 ALA CB C 2 19.509 19.509 20.240 -0.731 18507 7902 1 15 . 1 1 2 2 ALA H H 2 8.252 8.252 8.128 0.124 18507 7903 1 15 . 1 1 3 3 MET N N 3 119.597 119.597 121.225 -1.628 18507 7904 1 15 . 1 1 3 3 MET HA H 3 4.457 4.457 4.380 0.077 18507 7905 1 15 . 1 1 3 3 MET C C 3 176.640 176.640 176.696 -0.056 18507 7906 1 15 . 1 1 3 3 MET CA C 3 55.433 55.433 56.750 -1.317 18507 7907 1 15 . 1 1 3 3 MET CB C 3 32.141 32.141 33.256 -1.115 18507 7908 1 15 . 1 1 3 3 MET H H 3 8.526 8.526 8.393 0.134 18507 7909 1 15 . 1 1 4 4 GLY N N 4 110.104 110.104 107.816 2.288 18507 7910 1 15 . 1 1 4 4 GLY C C 4 173.846 173.846 173.487 0.359 18507 7911 1 15 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.582 0.707 18507 7912 1 15 . 1 1 4 4 GLY H H 4 8.388 8.388 7.838 0.550 18507 7913 1 15 . 1 1 5 5 ILE N N 5 120.177 120.177 122.922 -2.745 18507 7914 1 15 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.354 -0.212 18507 7915 1 15 . 1 1 5 5 ILE C C 5 176.245 176.245 175.660 0.585 18507 7916 1 15 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.605 0.101 18507 7917 1 15 . 1 1 5 5 ILE CB C 5 38.686 38.686 40.358 -1.672 18507 7918 1 15 . 1 1 5 5 ILE H H 5 7.995 7.995 8.272 -0.277 18507 7919 1 15 . 1 1 6 6 ARG N N 6 125.295 125.295 125.571 -0.276 18507 7920 1 15 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.583 -0.236 18507 7921 1 15 . 1 1 6 6 ARG C C 6 174.908 174.908 175.603 -0.695 18507 7922 1 15 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.449 0.363 18507 7923 1 15 . 1 1 6 6 ARG CB C 6 30.829 30.829 31.098 -0.269 18507 7924 1 15 . 1 1 6 6 ARG H H 6 8.451 8.451 8.457 -0.006 18507 7925 1 15 . 1 1 7 7 ASN N N 7 125.979 125.979 121.247 4.732 18507 7926 1 15 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.765 -0.282 18507 7927 1 15 . 1 1 7 7 ASN C C 7 175.993 175.993 175.671 0.322 18507 7928 1 15 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.658 2.041 18507 7929 1 15 . 1 1 7 7 ASN CB C 7 40.744 40.744 40.011 0.733 18507 7930 1 15 . 1 1 7 7 ASN H H 7 8.072 8.072 8.565 -0.493 18507 7931 1 15 . 1 1 8 8 SER N N 8 120.939 120.939 116.286 4.653 18507 7932 1 15 . 1 1 8 8 SER C C 8 174.402 174.402 173.549 0.853 18507 7933 1 15 . 1 1 8 8 SER CA C 8 58.678 58.678 58.602 0.076 18507 7934 1 15 . 1 1 8 8 SER CB C 8 63.735 63.735 63.842 -0.107 18507 7935 1 15 . 1 1 8 8 SER H H 8 8.363 8.363 8.431 -0.068 18507 7936 1 15 . 1 1 9 9 ASP N N 9 122.169 122.169 119.895 2.274 18507 7937 1 15 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.745 -0.133 18507 7938 1 15 . 1 1 9 9 ASP C C 9 176.302 176.302 175.515 0.787 18507 7939 1 15 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.923 -0.257 18507 7940 1 15 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.206 -0.114 18507 7941 1 15 . 1 1 9 9 ASP H H 9 8.334 8.334 8.542 -0.208 18507 7942 1 15 . 1 1 10 10 SER N N 10 115.330 115.330 115.496 -0.166 18507 7943 1 15 . 1 1 10 10 SER HA H 10 4.408 4.408 4.917 -0.509 18507 7944 1 15 . 1 1 10 10 SER C C 10 174.338 174.338 172.591 1.747 18507 7945 1 15 . 1 1 10 10 SER CA C 10 58.421 58.421 57.292 1.129 18507 7946 1 15 . 1 1 10 10 SER CB C 10 63.749 63.749 66.052 -2.303 18507 7947 1 15 . 1 1 10 10 SER H H 10 8.130 8.130 7.996 0.134 18507 7948 1 15 . 1 1 11 11 VAL N N 11 121.719 121.719 119.799 1.920 18507 7949 1 15 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.321 -0.233 18507 7950 1 15 . 1 1 11 11 VAL C C 11 175.837 175.837 174.357 1.480 18507 7951 1 15 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.284 0.688 18507 7952 1 15 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.840 -1.332 18507 7953 1 15 . 1 1 11 11 VAL H H 11 8.040 8.040 8.245 -0.205 18507 7954 1 15 . 1 1 12 12 LYS N N 12 126.544 126.544 125.057 1.487 18507 7955 1 15 . 1 1 12 12 LYS H H 12 8.349 8.349 8.490 -0.141 18507 7956 1 15 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.373 0.086 18507 7957 1 15 . 1 1 13 13 PRO C C 13 177.038 177.038 176.799 0.239 18507 7958 1 15 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.500 -0.632 18507 7959 1 15 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.859 0.323 18507 7960 1 15 . 1 1 14 14 THR N N 14 114.515 114.515 115.039 -0.524 18507 7961 1 15 . 1 1 14 14 THR HA H 14 4.255 4.255 4.379 -0.124 18507 7962 1 15 . 1 1 14 14 THR C C 14 174.477 174.477 174.435 0.042 18507 7963 1 15 . 1 1 14 14 THR CA C 14 61.813 61.813 61.752 0.061 18507 7964 1 15 . 1 1 14 14 THR CB C 14 69.675 69.675 69.903 -0.228 18507 7965 1 15 . 1 1 14 14 THR H H 14 8.234 8.234 7.709 0.525 18507 7966 1 15 . 1 1 15 15 GLN N N 15 122.586 122.586 120.310 2.276 18507 7967 1 15 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.339 0.007 18507 7968 1 15 . 1 1 15 15 GLN C C 15 175.452 175.452 176.073 -0.621 18507 7969 1 15 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.079 -0.517 18507 7970 1 15 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.375 0.160 18507 7971 1 15 . 1 1 15 15 GLN H H 15 8.380 8.380 8.370 0.010 18507 7972 1 15 . 1 1 16 16 GLN N N 16 122.137 122.137 119.932 2.205 18507 7973 1 15 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.382 -0.122 18507 7974 1 15 . 1 1 16 16 GLN C C 16 175.050 175.050 174.622 0.428 18507 7975 1 15 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.121 0.421 18507 7976 1 15 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.266 0.460 18507 7977 1 15 . 1 1 16 16 GLN H H 16 8.457 8.457 8.464 -0.007 18507 7978 1 15 . 1 1 17 17 ALA N N 17 125.292 125.292 125.276 0.016 18507 7979 1 15 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.512 -0.201 18507 7980 1 15 . 1 1 17 17 ALA C C 17 176.628 176.628 175.961 0.667 18507 7981 1 15 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.787 -0.075 18507 7982 1 15 . 1 1 17 17 ALA CB C 17 19.967 19.967 21.049 -1.082 18507 7983 1 15 . 1 1 17 17 ALA H H 17 8.323 8.323 8.319 0.004 18507 7984 1 15 . 1 1 18 18 ARG N N 18 122.106 122.106 122.115 -0.009 18507 7985 1 15 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.672 -0.051 18507 7986 1 15 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.969 -0.743 18507 7987 1 15 . 1 1 18 18 ARG CB C 18 30.775 30.775 29.477 1.298 18507 7988 1 15 . 1 1 18 18 ARG H H 18 8.591 8.591 8.785 -0.194 18507 7989 1 15 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.412 0.172 18507 7990 1 15 . 1 1 19 19 PRO C C 19 176.098 176.098 176.701 -0.603 18507 7991 1 15 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.479 0.482 18507 7992 1 15 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.338 -0.193 18507 7993 1 15 . 1 1 20 20 THR N N 20 121.694 121.694 114.196 7.498 18507 7994 1 15 . 1 1 20 20 THR HA H 20 4.228 4.228 4.274 -0.046 18507 7995 1 15 . 1 1 20 20 THR C C 20 172.413 172.413 174.713 -2.300 18507 7996 1 15 . 1 1 20 20 THR CA C 20 62.891 62.891 60.448 2.443 18507 7997 1 15 . 1 1 20 20 THR CB C 20 71.036 71.036 69.671 1.365 18507 7998 1 15 . 1 1 20 20 THR H H 20 9.046 9.046 8.001 1.045 18507 7999 1 15 . 1 1 21 21 VAL N N 21 127.141 127.141 125.357 1.784 18507 8000 1 15 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.175 0.372 18507 8001 1 15 . 1 1 21 21 VAL C C 21 175.345 175.345 174.617 0.728 18507 8002 1 15 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.001 -0.221 18507 8003 1 15 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.879 0.380 18507 8004 1 15 . 1 1 21 21 VAL H H 21 8.572 8.572 8.264 0.308 18507 8005 1 15 . 1 1 22 22 ILE N N 22 130.341 130.341 126.849 3.492 18507 8006 1 15 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.531 -0.238 18507 8007 1 15 . 1 1 22 22 ILE C C 22 173.794 173.794 174.553 -0.759 18507 8008 1 15 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.370 -0.919 18507 8009 1 15 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.487 -2.823 18507 8010 1 15 . 1 1 22 22 ILE H H 22 8.913 8.913 8.163 0.750 18507 8011 1 15 . 1 1 23 23 ARG N N 23 125.596 125.596 125.351 0.245 18507 8012 1 15 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.085 0.424 18507 8013 1 15 . 1 1 23 23 ARG C C 23 174.125 174.125 174.512 -0.387 18507 8014 1 15 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.095 -1.090 18507 8015 1 15 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.877 2.707 18507 8016 1 15 . 1 1 23 23 ARG H H 23 8.595 8.595 8.689 -0.094 18507 8017 1 15 . 1 1 24 24 TRP N N 24 123.124 123.124 128.035 -4.911 18507 8018 1 15 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.942 -0.155 18507 8019 1 15 . 1 1 24 24 TRP C C 24 177.208 177.208 173.556 3.652 18507 8020 1 15 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.592 -0.618 18507 8021 1 15 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.186 0.221 18507 8022 1 15 . 1 1 24 24 TRP H H 24 9.098 9.098 9.061 0.037 18507 8023 1 15 . 1 1 25 25 SER N N 25 123.623 123.623 122.080 1.543 18507 8024 1 15 . 1 1 25 25 SER HA H 25 4.827 4.827 4.846 -0.019 18507 8025 1 15 . 1 1 25 25 SER CA C 25 58.442 58.442 57.179 1.263 18507 8026 1 15 . 1 1 25 25 SER CB C 25 63.993 63.993 64.985 -0.992 18507 8027 1 15 . 1 1 25 25 SER H H 25 8.837 8.837 8.052 0.785 18507 8028 1 15 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.439 -0.298 18507 8029 1 15 . 1 1 26 26 GLU C C 26 175.915 175.915 176.258 -0.343 18507 8030 1 15 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.556 -1.292 18507 8031 1 15 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.574 -1.290 18507 8032 1 15 . 1 1 27 27 GLY N N 27 109.186 109.186 107.756 1.430 18507 8033 1 15 . 1 1 27 27 GLY C C 27 173.380 173.380 174.776 -1.396 18507 8034 1 15 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.202 -0.570 18507 8035 1 15 . 1 1 27 27 GLY H H 27 8.434 8.434 8.696 -0.262 18507 8036 1 15 . 1 1 28 28 GLY N N 28 106.478 106.478 108.819 -2.341 18507 8037 1 15 . 1 1 28 28 GLY C C 28 172.572 172.572 175.061 -2.489 18507 8038 1 15 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.499 -0.802 18507 8039 1 15 . 1 1 28 28 GLY H H 28 7.948 7.948 8.038 -0.090 18507 8040 1 15 . 1 1 29 29 LYS N N 29 120.742 120.742 118.285 2.457 18507 8041 1 15 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.460 0.155 18507 8042 1 15 . 1 1 29 29 LYS C C 29 177.173 177.173 175.811 1.362 18507 8043 1 15 . 1 1 29 29 LYS CA C 29 57.951 57.951 57.099 0.852 18507 8044 1 15 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.438 0.397 18507 8045 1 15 . 1 1 29 29 LYS H H 29 10.077 10.077 8.298 1.779 18507 8046 1 15 . 1 1 30 30 GLU N N 30 121.578 121.578 118.378 3.200 18507 8047 1 15 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.483 -0.286 18507 8048 1 15 . 1 1 30 30 GLU C C 30 173.541 173.541 173.927 -0.386 18507 8049 1 15 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.267 0.713 18507 8050 1 15 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.796 0.677 18507 8051 1 15 . 1 1 30 30 GLU H H 30 8.810 8.810 7.844 0.966 18507 8052 1 15 . 1 1 31 31 VAL N N 31 124.182 124.182 122.730 1.452 18507 8053 1 15 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.583 -0.043 18507 8054 1 15 . 1 1 31 31 VAL C C 31 173.552 173.552 174.276 -0.724 18507 8055 1 15 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.411 0.824 18507 8056 1 15 . 1 1 31 31 VAL CB C 31 35.261 35.261 32.585 2.676 18507 8057 1 15 . 1 1 31 31 VAL H H 31 7.704 7.704 8.315 -0.611 18507 8058 1 15 . 1 1 32 32 PHE N N 32 123.930 123.930 124.962 -1.032 18507 8059 1 15 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.404 0.163 18507 8060 1 15 . 1 1 32 32 PHE C C 32 174.872 174.872 174.382 0.490 18507 8061 1 15 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.441 -1.456 18507 8062 1 15 . 1 1 32 32 PHE CB C 32 44.349 44.349 44.011 0.338 18507 8063 1 15 . 1 1 32 32 PHE H H 32 8.856 8.856 8.165 0.691 18507 8064 1 15 . 1 1 33 33 ILE N N 33 116.493 116.493 121.313 -4.820 18507 8065 1 15 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.567 -0.087 18507 8066 1 15 . 1 1 33 33 ILE C C 33 174.067 174.067 174.163 -0.096 18507 8067 1 15 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.107 0.402 18507 8068 1 15 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.772 1.522 18507 8069 1 15 . 1 1 33 33 ILE H H 33 9.316 9.316 9.166 0.150 18507 8070 1 15 . 1 1 34 34 SER N N 34 116.962 116.962 121.621 -4.659 18507 8071 1 15 . 1 1 34 34 SER HA H 34 4.496 4.496 4.796 -0.300 18507 8072 1 15 . 1 1 34 34 SER C C 34 170.691 170.691 171.967 -1.276 18507 8073 1 15 . 1 1 34 34 SER CA C 34 57.343 57.343 57.035 0.308 18507 8074 1 15 . 1 1 34 34 SER CB C 34 67.249 67.249 65.237 2.012 18507 8075 1 15 . 1 1 34 34 SER H H 34 8.518 8.518 8.650 -0.132 18507 8076 1 15 . 1 1 35 35 GLY N N 35 106.806 106.806 109.169 -2.363 18507 8077 1 15 . 1 1 35 35 GLY C C 35 172.451 172.451 172.013 0.438 18507 8078 1 15 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.209 1.852 18507 8079 1 15 . 1 1 35 35 GLY H H 35 7.200 7.200 7.079 0.121 18507 8080 1 15 . 1 1 36 36 SER N N 36 115.550 115.550 116.627 -1.077 18507 8081 1 15 . 1 1 36 36 SER HA H 36 3.388 3.388 4.292 -0.904 18507 8082 1 15 . 1 1 36 36 SER C C 36 177.094 177.094 176.844 0.250 18507 8083 1 15 . 1 1 36 36 SER CA C 36 60.882 60.882 60.508 0.374 18507 8084 1 15 . 1 1 36 36 SER CB C 36 61.978 61.978 63.399 -1.421 18507 8085 1 15 . 1 1 36 36 SER H H 36 8.952 8.952 7.934 1.018 18507 8086 1 15 . 1 1 37 37 PHE N N 37 118.633 118.633 116.787 1.846 18507 8087 1 15 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.299 0.162 18507 8088 1 15 . 1 1 37 37 PHE C C 37 175.254 175.254 175.538 -0.284 18507 8089 1 15 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.338 -1.582 18507 8090 1 15 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.944 -0.181 18507 8091 1 15 . 1 1 37 37 PHE H H 37 6.475 6.475 8.031 -1.556 18507 8092 1 15 . 1 1 38 38 ASN N N 38 119.885 119.885 116.200 3.685 18507 8093 1 15 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.690 0.250 18507 8094 1 15 . 1 1 38 38 ASN C C 38 175.954 175.954 174.958 0.996 18507 8095 1 15 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.836 -0.555 18507 8096 1 15 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.801 -2.600 18507 8097 1 15 . 1 1 38 38 ASN H H 38 6.610 6.610 7.008 -0.398 18507 8098 1 15 . 1 1 39 39 ASN N N 39 117.264 117.264 118.479 -1.215 18507 8099 1 15 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.481 -0.171 18507 8100 1 15 . 1 1 39 39 ASN C C 39 173.171 173.171 174.880 -1.709 18507 8101 1 15 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.431 0.357 18507 8102 1 15 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.203 -0.209 18507 8103 1 15 . 1 1 39 39 ASN H H 39 7.822 7.822 7.811 0.011 18507 8104 1 15 . 1 1 40 40 TRP N N 40 113.463 113.463 113.709 -0.246 18507 8105 1 15 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.124 -0.123 18507 8106 1 15 . 1 1 40 40 TRP C C 40 177.457 177.457 176.969 0.488 18507 8107 1 15 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.935 -0.350 18507 8108 1 15 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.449 -1.662 18507 8109 1 15 . 1 1 40 40 TRP H H 40 8.300 8.300 7.584 0.716 18507 8110 1 15 . 1 1 41 41 SER N N 41 113.321 113.321 114.846 -1.525 18507 8111 1 15 . 1 1 41 41 SER HA H 41 4.216 4.216 4.579 -0.363 18507 8112 1 15 . 1 1 41 41 SER C C 41 174.913 174.913 173.794 1.119 18507 8113 1 15 . 1 1 41 41 SER CA C 41 60.460 60.460 58.983 1.477 18507 8114 1 15 . 1 1 41 41 SER CB C 41 64.591 64.591 64.056 0.535 18507 8115 1 15 . 1 1 41 41 SER H H 41 7.549 7.549 8.447 -0.898 18507 8116 1 15 . 1 1 42 42 THR N N 42 112.097 112.097 115.280 -3.183 18507 8117 1 15 . 1 1 42 42 THR HA H 42 4.576 4.576 4.356 0.220 18507 8118 1 15 . 1 1 42 42 THR C C 42 174.798 174.798 172.408 2.390 18507 8119 1 15 . 1 1 42 42 THR CA C 42 59.920 59.920 62.063 -2.143 18507 8120 1 15 . 1 1 42 42 THR CB C 42 71.457 71.457 70.628 0.829 18507 8121 1 15 . 1 1 42 42 THR H H 42 7.088 7.088 7.802 -0.714 18507 8122 1 15 . 1 1 43 43 LYS N N 43 122.104 122.104 126.208 -4.104 18507 8123 1 15 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.526 0.146 18507 8124 1 15 . 1 1 43 43 LYS C C 43 174.839 174.839 176.306 -1.467 18507 8125 1 15 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.953 0.340 18507 8126 1 15 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.282 0.056 18507 8127 1 15 . 1 1 43 43 LYS H H 43 8.466 8.466 8.272 0.194 18507 8128 1 15 . 1 1 44 44 ILE N N 44 128.655 128.655 127.095 1.560 18507 8129 1 15 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.540 0.088 18507 8130 1 15 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.371 0.201 18507 8131 1 15 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.610 1.494 18507 8132 1 15 . 1 1 44 44 ILE H H 44 9.596 9.596 9.038 0.558 18507 8133 1 15 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.281 0.024 18507 8134 1 15 . 1 1 45 45 PRO C C 45 174.315 174.315 176.065 -1.750 18507 8135 1 15 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.528 0.203 18507 8136 1 15 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.318 -0.072 18507 8137 1 15 . 1 1 46 46 LEU N N 46 122.198 122.198 125.185 -2.987 18507 8138 1 15 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.560 -0.047 18507 8139 1 15 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.863 1.690 18507 8140 1 15 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.938 -0.128 18507 8141 1 15 . 1 1 46 46 LEU H H 46 8.157 8.157 7.482 0.675 18507 8142 1 15 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.860 0.490 18507 8143 1 15 . 1 1 47 47 ILE C C 47 175.903 175.903 176.071 -0.168 18507 8144 1 15 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.087 -1.673 18507 8145 1 15 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.839 2.557 18507 8146 1 15 . 1 1 48 48 LYS N N 48 128.033 128.033 129.246 -1.213 18507 8147 1 15 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.848 0.058 18507 8148 1 15 . 1 1 48 48 LYS C C 48 176.252 176.252 175.593 0.659 18507 8149 1 15 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.941 -0.239 18507 8150 1 15 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.423 0.173 18507 8151 1 15 . 1 1 48 48 LYS H H 48 8.661 8.661 8.346 0.315 18507 8152 1 15 . 1 1 49 49 SER N N 49 122.194 122.194 119.312 2.882 18507 8153 1 15 . 1 1 49 49 SER HA H 49 4.367 4.367 4.472 -0.105 18507 8154 1 15 . 1 1 49 49 SER CA C 49 56.282 56.282 56.468 -0.186 18507 8155 1 15 . 1 1 49 49 SER CB C 49 62.849 62.849 65.012 -2.163 18507 8156 1 15 . 1 1 49 49 SER H H 49 8.638 8.638 8.121 0.517 18507 8157 1 15 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.300 -0.258 18507 8158 1 15 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.589 -0.605 18507 8159 1 15 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.890 -1.993 18507 8160 1 15 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.641 0.074 18507 8161 1 15 . 1 1 51 51 ASN C C 51 174.091 174.091 174.579 -0.488 18507 8162 1 15 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.340 -0.564 18507 8163 1 15 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.434 -0.300 18507 8164 1 15 . 1 1 52 52 ASP N N 52 119.149 119.149 113.913 5.236 18507 8165 1 15 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.513 0.449 18507 8166 1 15 . 1 1 52 52 ASP C C 52 174.069 174.069 174.145 -0.076 18507 8167 1 15 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.310 0.234 18507 8168 1 15 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.083 1.473 18507 8169 1 15 . 1 1 52 52 ASP H H 52 8.031 8.031 7.371 0.660 18507 8170 1 15 . 1 1 53 53 PHE N N 53 118.169 118.169 117.469 0.700 18507 8171 1 15 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.817 0.333 18507 8172 1 15 . 1 1 53 53 PHE C C 53 175.583 175.583 175.883 -0.300 18507 8173 1 15 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.366 -0.994 18507 8174 1 15 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.477 1.414 18507 8175 1 15 . 1 1 53 53 PHE H H 53 8.534 8.534 8.752 -0.218 18507 8176 1 15 . 1 1 54 54 VAL N N 54 118.983 118.983 114.263 4.720 18507 8177 1 15 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.876 0.449 18507 8178 1 15 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.192 0.942 18507 8179 1 15 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.118 0.631 18507 8180 1 15 . 1 1 54 54 VAL H H 54 9.324 9.324 8.108 1.216 18507 8181 1 15 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.758 -0.051 18507 8182 1 15 . 1 1 55 55 ALA C C 55 174.786 174.786 175.460 -0.674 18507 8183 1 15 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.859 0.028 18507 8184 1 15 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.495 -0.807 18507 8185 1 15 . 1 1 56 56 ILE N N 56 120.457 120.457 121.491 -1.034 18507 8186 1 15 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.395 0.157 18507 8187 1 15 . 1 1 56 56 ILE C C 56 175.419 175.419 174.602 0.817 18507 8188 1 15 . 1 1 56 56 ILE CA C 56 60.922 60.922 60.263 0.659 18507 8189 1 15 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.384 0.107 18507 8190 1 15 . 1 1 56 56 ILE H H 56 8.239 8.239 8.637 -0.398 18507 8191 1 15 . 1 1 57 57 LEU N N 57 127.392 127.392 123.405 3.987 18507 8192 1 15 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.584 -0.078 18507 8193 1 15 . 1 1 57 57 LEU C C 57 175.108 175.108 175.488 -0.380 18507 8194 1 15 . 1 1 57 57 LEU CA C 57 52.742 52.742 53.548 -0.806 18507 8195 1 15 . 1 1 57 57 LEU CB C 57 45.170 45.170 45.201 -0.031 18507 8196 1 15 . 1 1 57 57 LEU H H 57 8.828 8.828 8.022 0.806 18507 8197 1 15 . 1 1 58 58 ASP N N 58 124.255 124.255 120.720 3.535 18507 8198 1 15 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.693 -0.065 18507 8199 1 15 . 1 1 58 58 ASP C C 58 175.066 175.066 175.649 -0.583 18507 8200 1 15 . 1 1 58 58 ASP CA C 58 52.941 52.941 53.997 -1.056 18507 8201 1 15 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.462 -0.755 18507 8202 1 15 . 1 1 58 58 ASP H H 58 8.571 8.571 8.167 0.404 18507 8203 1 15 . 1 1 59 59 LEU N N 59 124.092 124.092 125.158 -1.066 18507 8204 1 15 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.766 -0.231 18507 8205 1 15 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.186 -0.313 18507 8206 1 15 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.235 -0.201 18507 8207 1 15 . 1 1 59 59 LEU H H 59 7.681 7.681 7.650 0.031 18507 8208 1 15 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.499 0.102 18507 8209 1 15 . 1 1 60 60 PRO C C 60 175.599 175.599 176.110 -0.511 18507 8210 1 15 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.099 -0.617 18507 8211 1 15 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.660 0.008 18507 8212 1 15 . 1 1 61 61 GLU N N 61 119.164 119.164 122.147 -2.983 18507 8213 1 15 . 1 1 61 61 GLU HA H 61 3.859 3.859 4.010 -0.151 18507 8214 1 15 . 1 1 61 61 GLU C C 61 176.121 176.121 175.694 0.427 18507 8215 1 15 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.730 -0.272 18507 8216 1 15 . 1 1 61 61 GLU CB C 61 30.249 30.249 28.714 1.535 18507 8217 1 15 . 1 1 61 61 GLU H H 61 8.500 8.500 8.641 -0.141 18507 8218 1 15 . 1 1 62 62 GLY N N 62 111.529 111.529 113.921 -2.392 18507 8219 1 15 . 1 1 62 62 GLY C C 62 171.313 171.313 171.445 -0.132 18507 8220 1 15 . 1 1 62 62 GLY CA C 62 43.469 43.469 44.795 -1.326 18507 8221 1 15 . 1 1 62 62 GLY H H 62 8.845 8.845 7.903 0.942 18507 8222 1 15 . 1 1 63 63 GLU N N 63 119.100 119.100 122.031 -2.931 18507 8223 1 15 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.938 -0.156 18507 8224 1 15 . 1 1 63 63 GLU C C 63 175.530 175.530 175.387 0.143 18507 8225 1 15 . 1 1 63 63 GLU CA C 63 54.978 54.978 55.116 -0.138 18507 8226 1 15 . 1 1 63 63 GLU CB C 63 31.383 31.383 31.968 -0.585 18507 8227 1 15 . 1 1 63 63 GLU H H 63 8.015 8.015 8.405 -0.390 18507 8228 1 15 . 1 1 64 64 HIS N N 64 121.786 121.786 122.829 -1.043 18507 8229 1 15 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.051 -0.234 18507 8230 1 15 . 1 1 64 64 HIS C C 64 174.358 174.358 173.660 0.698 18507 8231 1 15 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.163 0.807 18507 8232 1 15 . 1 1 64 64 HIS CB C 64 34.109 34.109 32.880 1.229 18507 8233 1 15 . 1 1 64 64 HIS H H 64 8.830 8.830 8.989 -0.159 18507 8234 1 15 . 1 1 65 65 GLN N N 65 121.667 121.667 118.391 3.276 18507 8235 1 15 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.862 0.899 18507 8236 1 15 . 1 1 65 65 GLN C C 65 175.833 175.833 174.750 1.083 18507 8237 1 15 . 1 1 65 65 GLN CA C 65 53.833 53.833 54.910 -1.077 18507 8238 1 15 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.684 0.581 18507 8239 1 15 . 1 1 65 65 GLN H H 65 8.637 8.637 8.907 -0.270 18507 8240 1 15 . 1 1 66 66 TYR N N 66 116.908 116.908 120.432 -3.524 18507 8241 1 15 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.325 -0.150 18507 8242 1 15 . 1 1 66 66 TYR C C 66 171.751 171.751 174.101 -2.350 18507 8243 1 15 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.749 2.234 18507 8244 1 15 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.523 -0.793 18507 8245 1 15 . 1 1 66 66 TYR H H 66 8.894 8.894 7.635 1.259 18507 8246 1 15 . 1 1 67 67 LYS N N 67 118.307 118.307 117.856 0.451 18507 8247 1 15 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.829 -0.196 18507 8248 1 15 . 1 1 67 67 LYS C C 67 173.317 173.317 174.941 -1.624 18507 8249 1 15 . 1 1 67 67 LYS CA C 67 56.876 56.876 55.179 1.697 18507 8250 1 15 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.822 0.378 18507 8251 1 15 . 1 1 67 67 LYS H H 67 8.927 8.927 8.349 0.578 18507 8252 1 15 . 1 1 68 68 PHE N N 68 118.691 118.691 122.449 -3.758 18507 8253 1 15 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.255 0.276 18507 8254 1 15 . 1 1 68 68 PHE C C 68 173.861 173.861 175.487 -1.626 18507 8255 1 15 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.495 0.453 18507 8256 1 15 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.017 0.255 18507 8257 1 15 . 1 1 68 68 PHE H H 68 8.436 8.436 8.296 0.140 18507 8258 1 15 . 1 1 69 69 PHE N N 69 125.718 125.718 123.627 2.091 18507 8259 1 15 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.881 -0.158 18507 8260 1 15 . 1 1 69 69 PHE C C 69 174.574 174.574 173.231 1.343 18507 8261 1 15 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.582 -0.746 18507 8262 1 15 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.726 -0.570 18507 8263 1 15 . 1 1 69 69 PHE H H 69 9.000 9.000 8.646 0.354 18507 8264 1 15 . 1 1 70 70 VAL N N 70 126.808 126.808 124.812 1.996 18507 8265 1 15 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.549 -0.226 18507 8266 1 15 . 1 1 70 70 VAL C C 70 175.641 175.641 175.636 0.005 18507 8267 1 15 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.508 1.000 18507 8268 1 15 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.956 -1.486 18507 8269 1 15 . 1 1 70 70 VAL H H 70 8.688 8.688 8.165 0.523 18507 8270 1 15 . 1 1 71 71 ASP N N 71 128.747 128.747 126.058 2.689 18507 8271 1 15 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.159 0.076 18507 8272 1 15 . 1 1 71 71 ASP C C 71 176.119 176.119 176.386 -0.267 18507 8273 1 15 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.945 0.704 18507 8274 1 15 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.262 -0.633 18507 8275 1 15 . 1 1 71 71 ASP H H 71 8.890 8.890 9.139 -0.249 18507 8276 1 15 . 1 1 72 72 GLY N N 72 100.856 100.856 104.409 -3.553 18507 8277 1 15 . 1 1 72 72 GLY C C 72 173.149 173.149 173.131 0.018 18507 8278 1 15 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.085 0.170 18507 8279 1 15 . 1 1 72 72 GLY H H 72 7.437 7.437 8.360 -0.923 18507 8280 1 15 . 1 1 73 73 GLN N N 73 117.716 117.716 114.628 3.088 18507 8281 1 15 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.458 0.022 18507 8282 1 15 . 1 1 73 73 GLN C C 73 173.981 173.981 173.251 0.730 18507 8283 1 15 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.030 0.255 18507 8284 1 15 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.773 1.137 18507 8285 1 15 . 1 1 73 73 GLN H H 73 6.923 6.923 6.710 0.213 18507 8286 1 15 . 1 1 74 74 TRP N N 74 123.738 123.738 122.148 1.590 18507 8287 1 15 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.200 0.613 18507 8288 1 15 . 1 1 74 74 TRP C C 74 177.239 177.239 177.292 -0.053 18507 8289 1 15 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.431 -0.643 18507 8290 1 15 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.647 0.271 18507 8291 1 15 . 1 1 74 74 TRP H H 74 8.836 8.836 8.824 0.012 18507 8292 1 15 . 1 1 75 75 VAL N N 75 121.900 121.900 118.775 3.125 18507 8293 1 15 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.582 0.404 18507 8294 1 15 . 1 1 75 75 VAL C C 75 172.903 172.903 174.133 -1.230 18507 8295 1 15 . 1 1 75 75 VAL CA C 75 60.625 60.625 60.166 0.459 18507 8296 1 15 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.506 1.148 18507 8297 1 15 . 1 1 75 75 VAL H H 75 10.049 10.049 8.514 1.535 18507 8298 1 15 . 1 1 76 76 HIS N N 76 119.400 119.400 115.398 4.002 18507 8299 1 15 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.197 0.381 18507 8300 1 15 . 1 1 76 76 HIS C C 76 173.084 173.084 173.473 -0.389 18507 8301 1 15 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.533 -0.274 18507 8302 1 15 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.546 0.261 18507 8303 1 15 . 1 1 76 76 HIS H H 76 7.758 7.758 8.118 -0.360 18507 8304 1 15 . 1 1 77 77 ASP N N 77 121.057 121.057 121.945 -0.888 18507 8305 1 15 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.250 -0.146 18507 8306 1 15 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.626 -0.162 18507 8307 1 15 . 1 1 77 77 ASP CB C 77 42.269 42.269 43.223 -0.954 18507 8308 1 15 . 1 1 77 77 ASP H H 77 10.717 10.717 8.993 1.724 18507 8309 1 15 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.553 -0.018 18507 8310 1 15 . 1 1 78 78 PRO C C 78 177.387 177.387 177.495 -0.108 18507 8311 1 15 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.343 -0.746 18507 8312 1 15 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.548 -0.222 18507 8313 1 15 . 1 1 79 79 SER N N 79 116.058 116.058 113.725 2.333 18507 8314 1 15 . 1 1 79 79 SER HA H 79 4.477 4.477 4.419 0.058 18507 8315 1 15 . 1 1 79 79 SER C C 79 173.819 173.819 175.011 -1.192 18507 8316 1 15 . 1 1 79 79 SER CA C 79 59.369 59.369 59.382 -0.013 18507 8317 1 15 . 1 1 79 79 SER CB C 79 63.875 63.875 63.765 0.110 18507 8318 1 15 . 1 1 79 79 SER H H 79 8.853 8.853 8.409 0.444 18507 8319 1 15 . 1 1 80 80 GLU N N 80 122.620 122.620 120.415 2.205 18507 8320 1 15 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.694 0.265 18507 8321 1 15 . 1 1 80 80 GLU CA C 80 53.401 53.401 54.154 -0.753 18507 8322 1 15 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.075 0.546 18507 8323 1 15 . 1 1 80 80 GLU H H 80 7.332 7.332 7.836 -0.504 18507 8324 1 15 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.466 -0.027 18507 8325 1 15 . 1 1 81 81 PRO C C 81 177.020 177.020 175.464 1.556 18507 8326 1 15 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.008 0.688 18507 8327 1 15 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.136 -1.917 18507 8328 1 15 . 1 1 82 82 VAL N N 82 114.720 114.720 117.976 -3.256 18507 8329 1 15 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.944 0.523 18507 8330 1 15 . 1 1 82 82 VAL C C 82 175.787 175.787 175.237 0.550 18507 8331 1 15 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.288 -0.689 18507 8332 1 15 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.440 3.318 18507 8333 1 15 . 1 1 82 82 VAL H H 82 8.221 8.221 7.959 0.262 18507 8334 1 15 . 1 1 83 83 VAL N N 83 117.999 117.999 122.076 -4.077 18507 8335 1 15 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.527 -0.117 18507 8336 1 15 . 1 1 83 83 VAL C C 83 173.384 173.384 174.296 -0.912 18507 8337 1 15 . 1 1 83 83 VAL CA C 83 59.533 59.533 61.113 -1.580 18507 8338 1 15 . 1 1 83 83 VAL CB C 83 35.305 35.305 35.960 -0.655 18507 8339 1 15 . 1 1 83 83 VAL H H 83 8.898 8.898 8.830 0.068 18507 8340 1 15 . 1 1 84 84 THR N N 84 120.469 120.469 123.927 -3.458 18507 8341 1 15 . 1 1 84 84 THR HA H 84 4.751 4.751 4.423 0.328 18507 8342 1 15 . 1 1 84 84 THR C C 84 174.975 174.975 173.835 1.140 18507 8343 1 15 . 1 1 84 84 THR CA C 84 61.446 61.446 62.605 -1.159 18507 8344 1 15 . 1 1 84 84 THR CB C 84 68.959 68.959 68.550 0.409 18507 8345 1 15 . 1 1 84 84 THR H H 84 8.309 8.309 8.320 -0.011 18507 8346 1 15 . 1 1 85 85 SER N N 85 123.544 123.544 121.445 2.099 18507 8347 1 15 . 1 1 85 85 SER HA H 85 4.533 4.533 4.314 0.219 18507 8348 1 15 . 1 1 85 85 SER CA C 85 57.027 57.027 57.143 -0.116 18507 8349 1 15 . 1 1 85 85 SER CB C 85 65.264 65.264 64.408 0.856 18507 8350 1 15 . 1 1 85 85 SER H H 85 9.137 9.137 8.259 0.878 18507 8351 1 15 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.156 -0.064 18507 8352 1 15 . 1 1 86 86 GLN C C 86 176.451 176.451 176.117 0.334 18507 8353 1 15 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.027 0.043 18507 8354 1 15 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.335 -0.200 18507 8355 1 15 . 1 1 87 87 LEU N N 87 117.032 117.032 118.997 -1.965 18507 8356 1 15 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.427 -0.168 18507 8357 1 15 . 1 1 87 87 LEU C C 87 177.470 177.470 177.495 -0.025 18507 8358 1 15 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.465 0.185 18507 8359 1 15 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.930 0.746 18507 8360 1 15 . 1 1 87 87 LEU H H 87 7.692 7.692 8.111 -0.419 18507 8361 1 15 . 1 1 88 88 GLY N N 88 107.770 107.770 108.844 -1.074 18507 8362 1 15 . 1 1 88 88 GLY C C 88 174.029 174.029 173.893 0.136 18507 8363 1 15 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.593 -0.331 18507 8364 1 15 . 1 1 88 88 GLY H H 88 7.932 7.932 8.174 -0.242 18507 8365 1 15 . 1 1 89 89 THR N N 89 112.596 112.596 112.533 0.063 18507 8366 1 15 . 1 1 89 89 THR HA H 89 4.259 4.259 4.566 -0.307 18507 8367 1 15 . 1 1 89 89 THR C C 89 172.837 172.837 174.365 -1.528 18507 8368 1 15 . 1 1 89 89 THR CA C 89 60.743 60.743 59.701 1.042 18507 8369 1 15 . 1 1 89 89 THR CB C 89 69.845 69.845 70.044 -0.199 18507 8370 1 15 . 1 1 89 89 THR H H 89 7.148 7.148 7.228 -0.080 18507 8371 1 15 . 1 1 90 90 ILE N N 90 123.927 123.927 127.927 -4.000 18507 8372 1 15 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.226 0.184 18507 8373 1 15 . 1 1 90 90 ILE C C 90 175.007 175.007 175.133 -0.126 18507 8374 1 15 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.337 0.214 18507 8375 1 15 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.273 2.662 18507 8376 1 15 . 1 1 90 90 ILE H H 90 8.514 8.514 8.819 -0.305 18507 8377 1 15 . 1 1 91 91 ASN N N 91 123.450 123.450 123.957 -0.507 18507 8378 1 15 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.941 0.346 18507 8379 1 15 . 1 1 91 91 ASN C C 91 175.916 175.916 173.766 2.150 18507 8380 1 15 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.400 -0.424 18507 8381 1 15 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.350 0.826 18507 8382 1 15 . 1 1 91 91 ASN H H 91 8.497 8.497 8.616 -0.119 18507 8383 1 15 . 1 1 92 92 ASN N N 92 115.675 115.675 116.980 -1.305 18507 8384 1 15 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.574 1.037 18507 8385 1 15 . 1 1 92 92 ASN C C 92 173.765 173.765 173.711 0.054 18507 8386 1 15 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.861 0.951 18507 8387 1 15 . 1 1 92 92 ASN CB C 92 41.743 41.743 38.951 2.792 18507 8388 1 15 . 1 1 92 92 ASN H H 92 8.721 8.721 8.469 0.252 18507 8389 1 15 . 1 1 93 93 LEU N N 93 120.001 120.001 119.805 0.196 18507 8390 1 15 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.812 0.525 18507 8391 1 15 . 1 1 93 93 LEU C C 93 175.864 175.864 174.839 1.025 18507 8392 1 15 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.111 -0.589 18507 8393 1 15 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.755 1.368 18507 8394 1 15 . 1 1 93 93 LEU H H 93 7.661 7.661 7.673 -0.012 18507 8395 1 15 . 1 1 94 94 ILE N N 94 124.682 124.682 124.915 -0.233 18507 8396 1 15 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.567 0.280 18507 8397 1 15 . 1 1 94 94 ILE C C 94 172.078 172.078 173.120 -1.042 18507 8398 1 15 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.270 -0.919 18507 8399 1 15 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.467 -0.376 18507 8400 1 15 . 1 1 94 94 ILE H H 94 9.282 9.282 9.162 0.120 18507 8401 1 15 . 1 1 95 95 HIS N N 95 126.782 126.782 126.431 0.351 18507 8402 1 15 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.154 -0.044 18507 8403 1 15 . 1 1 95 95 HIS C C 95 174.655 174.655 174.632 0.023 18507 8404 1 15 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.589 -0.255 18507 8405 1 15 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.654 0.745 18507 8406 1 15 . 1 1 95 95 HIS H H 95 8.690 8.690 8.581 0.109 18507 8407 1 15 . 1 1 96 96 VAL N N 96 128.616 128.616 125.601 3.015 18507 8408 1 15 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.325 -0.210 18507 8409 1 15 . 1 1 96 96 VAL C C 96 175.515 175.515 175.407 0.108 18507 8410 1 15 . 1 1 96 96 VAL CA C 96 62.502 62.502 62.026 0.476 18507 8411 1 15 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.370 -1.038 18507 8412 1 15 . 1 1 96 96 VAL H H 96 9.082 9.082 9.072 0.010 18507 8413 1 15 . 1 1 97 97 LYS N N 97 128.692 128.692 124.871 3.821 18507 8414 1 15 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.705 -0.155 18507 8415 1 15 . 1 1 97 97 LYS C C 97 176.019 176.019 175.117 0.902 18507 8416 1 15 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.789 0.302 18507 8417 1 15 . 1 1 97 97 LYS CB C 97 34.588 34.588 35.376 -0.788 18507 8418 1 15 . 1 1 97 97 LYS H H 97 8.708 8.708 8.386 0.322 18507 8419 1 15 . 1 1 98 98 LYS N N 98 122.635 122.635 119.258 3.377 18507 8420 1 15 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.551 -0.429 18507 8421 1 15 . 1 1 98 98 LYS C C 98 176.947 176.947 175.912 1.035 18507 8422 1 15 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.988 1.244 18507 8423 1 15 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.530 -0.681 18507 8424 1 15 . 1 1 98 98 LYS H H 98 8.717 8.717 8.311 0.406 18507 8425 1 15 . 1 1 99 99 SER N N 99 116.737 116.737 115.560 1.177 18507 8426 1 15 . 1 1 99 99 SER HA H 99 4.357 4.357 4.337 0.020 18507 8427 1 15 . 1 1 99 99 SER C C 99 174.335 174.335 173.492 0.843 18507 8428 1 15 . 1 1 99 99 SER CA C 99 58.240 58.240 57.531 0.709 18507 8429 1 15 . 1 1 99 99 SER CB C 99 63.664 63.664 63.335 0.329 18507 8430 1 15 . 1 1 99 99 SER H H 99 8.393 8.393 8.633 -0.240 18507 8431 1 15 . 1 1 100 100 ASP N N 100 122.287 122.287 121.852 0.435 18507 8432 1 15 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.522 0.004 18507 8433 1 15 . 1 1 100 100 ASP C C 100 175.823 175.823 176.867 -1.044 18507 8434 1 15 . 1 1 100 100 ASP CA C 100 54.813 54.813 55.392 -0.578 18507 8435 1 15 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.179 -0.241 18507 8436 1 15 . 1 1 100 100 ASP H H 100 8.288 8.288 8.240 0.048 18507 8437 1 15 . 1 1 101 101 PHE N N 101 118.668 118.668 114.904 3.764 18507 8438 1 15 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.564 0.011 18507 8439 1 15 . 1 1 101 101 PHE C C 101 175.279 175.279 176.167 -0.888 18507 8440 1 15 . 1 1 101 101 PHE CA C 101 57.462 57.462 58.707 -1.245 18507 8441 1 15 . 1 1 101 101 PHE CB C 101 39.557 39.557 38.987 0.570 18507 8442 1 15 . 1 1 101 101 PHE H H 101 7.923 7.923 7.619 0.304 18507 8443 1 15 . 1 1 102 102 GLU N N 102 122.081 122.081 118.755 3.326 18507 8444 1 15 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.734 0.446 18507 8445 1 15 . 1 1 102 102 GLU C C 102 175.388 175.388 175.970 -0.582 18507 8446 1 15 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.452 -1.144 18507 8447 1 15 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.092 1.493 18507 8448 1 15 . 1 1 102 102 GLU H H 102 8.138 8.138 7.513 0.625 18507 8449 1 15 . 1 1 103 103 VAL N N 103 120.545 120.545 118.222 2.323 18507 8450 1 15 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.644 0.380 18507 8451 1 15 . 1 1 103 103 VAL C C 103 175.359 175.359 175.972 -0.613 18507 8452 1 15 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.910 -0.237 18507 8453 1 15 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.116 0.982 18507 8454 1 15 . 1 1 103 103 VAL H H 103 7.934 7.934 7.354 0.580 18507 8455 1 15 . 1 1 104 104 PHE N N 104 124.359 124.359 121.188 3.171 18507 8456 1 15 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.596 0.099 18507 8457 1 15 . 1 1 104 104 PHE C C 104 174.530 174.530 176.244 -1.714 18507 8458 1 15 . 1 1 104 104 PHE CA C 104 57.140 57.140 58.603 -1.464 18507 8459 1 15 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.458 0.506 18507 8460 1 15 . 1 1 104 104 PHE H H 104 8.340 8.340 8.045 0.295 18507 8461 1 16 . 1 1 2 2 ALA N N 2 129.609 129.609 122.419 7.190 18507 8462 1 16 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.716 -0.380 18507 8463 1 16 . 1 1 2 2 ALA C C 2 177.730 177.730 177.358 0.372 18507 8464 1 16 . 1 1 2 2 ALA CA C 2 52.590 52.590 51.404 1.187 18507 8465 1 16 . 1 1 2 2 ALA CB C 2 19.509 19.509 20.315 -0.806 18507 8466 1 16 . 1 1 2 2 ALA H H 2 8.252 8.252 8.134 0.118 18507 8467 1 16 . 1 1 3 3 MET N N 3 119.597 119.597 121.695 -2.098 18507 8468 1 16 . 1 1 3 3 MET HA H 3 4.457 4.457 4.553 -0.096 18507 8469 1 16 . 1 1 3 3 MET C C 3 176.640 176.640 176.428 0.212 18507 8470 1 16 . 1 1 3 3 MET CA C 3 55.433 55.433 55.436 -0.003 18507 8471 1 16 . 1 1 3 3 MET CB C 3 32.141 32.141 32.708 -0.567 18507 8472 1 16 . 1 1 3 3 MET H H 3 8.526 8.526 8.339 0.187 18507 8473 1 16 . 1 1 4 4 GLY N N 4 110.104 110.104 113.122 -3.018 18507 8474 1 16 . 1 1 4 4 GLY C C 4 173.846 173.846 173.234 0.612 18507 8475 1 16 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.579 0.710 18507 8476 1 16 . 1 1 4 4 GLY H H 4 8.388 8.388 8.646 -0.258 18507 8477 1 16 . 1 1 5 5 ILE N N 5 120.177 120.177 118.218 1.959 18507 8478 1 16 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.800 -0.658 18507 8479 1 16 . 1 1 5 5 ILE C C 5 176.245 176.245 174.216 2.029 18507 8480 1 16 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.130 0.576 18507 8481 1 16 . 1 1 5 5 ILE CB C 5 38.686 38.686 40.693 -2.007 18507 8482 1 16 . 1 1 5 5 ILE H H 5 7.995 7.995 8.520 -0.525 18507 8483 1 16 . 1 1 6 6 ARG N N 6 125.295 125.295 127.416 -2.121 18507 8484 1 16 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.622 -0.275 18507 8485 1 16 . 1 1 6 6 ARG C C 6 174.908 174.908 174.216 0.692 18507 8486 1 16 . 1 1 6 6 ARG CA C 6 55.812 55.812 56.280 -0.468 18507 8487 1 16 . 1 1 6 6 ARG CB C 6 30.829 30.829 31.080 -0.251 18507 8488 1 16 . 1 1 6 6 ARG H H 6 8.451 8.451 8.891 -0.440 18507 8489 1 16 . 1 1 7 7 ASN N N 7 125.979 125.979 121.087 4.892 18507 8490 1 16 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.726 -0.243 18507 8491 1 16 . 1 1 7 7 ASN C C 7 175.993 175.993 173.684 2.309 18507 8492 1 16 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.254 2.445 18507 8493 1 16 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.163 1.581 18507 8494 1 16 . 1 1 7 7 ASN H H 7 8.072 8.072 8.099 -0.027 18507 8495 1 16 . 1 1 8 8 SER N N 8 120.939 120.939 115.052 5.887 18507 8496 1 16 . 1 1 8 8 SER C C 8 174.402 174.402 174.077 0.325 18507 8497 1 16 . 1 1 8 8 SER CA C 8 58.678 58.678 58.528 0.150 18507 8498 1 16 . 1 1 8 8 SER CB C 8 63.735 63.735 64.231 -0.496 18507 8499 1 16 . 1 1 8 8 SER H H 8 8.363 8.363 8.393 -0.030 18507 8500 1 16 . 1 1 9 9 ASP N N 9 122.169 122.169 121.916 0.253 18507 8501 1 16 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.547 0.065 18507 8502 1 16 . 1 1 9 9 ASP C C 9 176.302 176.302 176.403 -0.101 18507 8503 1 16 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.114 0.553 18507 8504 1 16 . 1 1 9 9 ASP CB C 9 41.092 41.092 40.555 0.537 18507 8505 1 16 . 1 1 9 9 ASP H H 9 8.334 8.334 8.631 -0.297 18507 8506 1 16 . 1 1 10 10 SER N N 10 115.330 115.330 117.339 -2.009 18507 8507 1 16 . 1 1 10 10 SER HA H 10 4.408 4.408 4.445 -0.037 18507 8508 1 16 . 1 1 10 10 SER C C 10 174.338 174.338 173.749 0.589 18507 8509 1 16 . 1 1 10 10 SER CA C 10 58.421 58.421 58.247 0.174 18507 8510 1 16 . 1 1 10 10 SER CB C 10 63.749 63.749 63.380 0.369 18507 8511 1 16 . 1 1 10 10 SER H H 10 8.130 8.130 8.026 0.104 18507 8512 1 16 . 1 1 11 11 VAL N N 11 121.719 121.719 124.806 -3.087 18507 8513 1 16 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.251 -0.163 18507 8514 1 16 . 1 1 11 11 VAL C C 11 175.837 175.837 175.118 0.719 18507 8515 1 16 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.090 0.882 18507 8516 1 16 . 1 1 11 11 VAL CB C 11 32.508 32.508 35.336 -2.828 18507 8517 1 16 . 1 1 11 11 VAL H H 11 8.040 8.040 8.166 -0.126 18507 8518 1 16 . 1 1 12 12 LYS N N 12 126.544 126.544 123.912 2.632 18507 8519 1 16 . 1 1 12 12 LYS H H 12 8.349 8.349 8.337 0.012 18507 8520 1 16 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.377 0.082 18507 8521 1 16 . 1 1 13 13 PRO C C 13 177.038 177.038 176.793 0.245 18507 8522 1 16 . 1 1 13 13 PRO CA C 13 62.868 62.868 64.302 -1.435 18507 8523 1 16 . 1 1 13 13 PRO CB C 13 32.182 32.182 32.174 0.008 18507 8524 1 16 . 1 1 14 14 THR N N 14 114.515 114.515 112.125 2.390 18507 8525 1 16 . 1 1 14 14 THR HA H 14 4.255 4.255 4.436 -0.181 18507 8526 1 16 . 1 1 14 14 THR C C 14 174.477 174.477 174.282 0.195 18507 8527 1 16 . 1 1 14 14 THR CA C 14 61.813 61.813 60.361 1.452 18507 8528 1 16 . 1 1 14 14 THR CB C 14 69.675 69.675 70.462 -0.787 18507 8529 1 16 . 1 1 14 14 THR H H 14 8.234 8.234 7.715 0.519 18507 8530 1 16 . 1 1 15 15 GLN N N 15 122.586 122.586 119.248 3.338 18507 8531 1 16 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.226 0.120 18507 8532 1 16 . 1 1 15 15 GLN C C 15 175.452 175.452 175.955 -0.503 18507 8533 1 16 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.769 -1.207 18507 8534 1 16 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.422 0.112 18507 8535 1 16 . 1 1 15 15 GLN H H 15 8.380 8.380 8.430 -0.050 18507 8536 1 16 . 1 1 16 16 GLN N N 16 122.137 122.137 119.895 2.242 18507 8537 1 16 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.378 -0.118 18507 8538 1 16 . 1 1 16 16 GLN C C 16 175.050 175.050 174.833 0.217 18507 8539 1 16 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.523 0.019 18507 8540 1 16 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.077 0.649 18507 8541 1 16 . 1 1 16 16 GLN H H 16 8.457 8.457 8.512 -0.055 18507 8542 1 16 . 1 1 17 17 ALA N N 17 125.292 125.292 125.395 -0.103 18507 8543 1 16 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.466 -0.155 18507 8544 1 16 . 1 1 17 17 ALA C C 17 176.628 176.628 175.880 0.748 18507 8545 1 16 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.997 -0.285 18507 8546 1 16 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.858 -0.891 18507 8547 1 16 . 1 1 17 17 ALA H H 17 8.323 8.323 8.307 0.016 18507 8548 1 16 . 1 1 18 18 ARG N N 18 122.106 122.106 121.236 0.870 18507 8549 1 16 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.613 0.008 18507 8550 1 16 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.700 -0.473 18507 8551 1 16 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.621 0.154 18507 8552 1 16 . 1 1 18 18 ARG H H 18 8.591 8.591 8.700 -0.109 18507 8553 1 16 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.450 0.134 18507 8554 1 16 . 1 1 19 19 PRO C C 19 176.098 176.098 176.262 -0.164 18507 8555 1 16 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.525 0.436 18507 8556 1 16 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.341 -0.196 18507 8557 1 16 . 1 1 20 20 THR N N 20 121.694 121.694 113.701 7.993 18507 8558 1 16 . 1 1 20 20 THR HA H 20 4.228 4.228 4.294 -0.066 18507 8559 1 16 . 1 1 20 20 THR C C 20 172.413 172.413 174.317 -1.904 18507 8560 1 16 . 1 1 20 20 THR CA C 20 62.891 62.891 60.037 2.854 18507 8561 1 16 . 1 1 20 20 THR CB C 20 71.036 71.036 69.857 1.179 18507 8562 1 16 . 1 1 20 20 THR H H 20 9.046 9.046 8.127 0.919 18507 8563 1 16 . 1 1 21 21 VAL N N 21 127.141 127.141 125.831 1.310 18507 8564 1 16 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.180 0.367 18507 8565 1 16 . 1 1 21 21 VAL C C 21 175.345 175.345 174.293 1.052 18507 8566 1 16 . 1 1 21 21 VAL CA C 21 61.780 61.780 61.677 0.103 18507 8567 1 16 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.355 0.904 18507 8568 1 16 . 1 1 21 21 VAL H H 21 8.572 8.572 8.443 0.129 18507 8569 1 16 . 1 1 22 22 ILE N N 22 130.341 130.341 126.598 3.743 18507 8570 1 16 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.519 -0.226 18507 8571 1 16 . 1 1 22 22 ILE C C 22 173.794 173.794 174.391 -0.597 18507 8572 1 16 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.645 -1.194 18507 8573 1 16 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.126 -2.462 18507 8574 1 16 . 1 1 22 22 ILE H H 22 8.913 8.913 7.981 0.932 18507 8575 1 16 . 1 1 23 23 ARG N N 23 125.596 125.596 125.386 0.210 18507 8576 1 16 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.146 0.363 18507 8577 1 16 . 1 1 23 23 ARG C C 23 174.125 174.125 174.414 -0.289 18507 8578 1 16 . 1 1 23 23 ARG CA C 23 54.005 54.005 54.953 -0.948 18507 8579 1 16 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.875 2.709 18507 8580 1 16 . 1 1 23 23 ARG H H 23 8.595 8.595 8.651 -0.056 18507 8581 1 16 . 1 1 24 24 TRP N N 24 123.124 123.124 127.874 -4.750 18507 8582 1 16 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.881 -0.094 18507 8583 1 16 . 1 1 24 24 TRP C C 24 177.208 177.208 173.738 3.470 18507 8584 1 16 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.241 -0.267 18507 8585 1 16 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.394 0.013 18507 8586 1 16 . 1 1 24 24 TRP H H 24 9.098 9.098 9.031 0.067 18507 8587 1 16 . 1 1 25 25 SER N N 25 123.623 123.623 120.001 3.622 18507 8588 1 16 . 1 1 25 25 SER HA H 25 4.827 4.827 4.497 0.330 18507 8589 1 16 . 1 1 25 25 SER CA C 25 58.442 58.442 56.792 1.650 18507 8590 1 16 . 1 1 25 25 SER CB C 25 63.993 63.993 64.805 -0.812 18507 8591 1 16 . 1 1 25 25 SER H H 25 8.837 8.837 7.685 1.152 18507 8592 1 16 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.281 -0.140 18507 8593 1 16 . 1 1 26 26 GLU C C 26 175.915 175.915 175.848 0.067 18507 8594 1 16 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.731 -1.467 18507 8595 1 16 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.429 -1.145 18507 8596 1 16 . 1 1 27 27 GLY N N 27 109.186 109.186 108.823 0.363 18507 8597 1 16 . 1 1 27 27 GLY C C 27 173.380 173.380 174.142 -0.762 18507 8598 1 16 . 1 1 27 27 GLY CA C 27 44.632 44.632 44.774 -0.142 18507 8599 1 16 . 1 1 27 27 GLY H H 27 8.434 8.434 8.203 0.231 18507 8600 1 16 . 1 1 28 28 GLY N N 28 106.478 106.478 107.411 -0.933 18507 8601 1 16 . 1 1 28 28 GLY C C 28 172.572 172.572 175.019 -2.447 18507 8602 1 16 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.081 -0.384 18507 8603 1 16 . 1 1 28 28 GLY H H 28 7.948 7.948 7.814 0.134 18507 8604 1 16 . 1 1 29 29 LYS N N 29 120.742 120.742 118.973 1.769 18507 8605 1 16 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.431 0.184 18507 8606 1 16 . 1 1 29 29 LYS C C 29 177.173 177.173 176.568 0.605 18507 8607 1 16 . 1 1 29 29 LYS CA C 29 57.951 57.951 57.221 0.730 18507 8608 1 16 . 1 1 29 29 LYS CB C 29 33.835 33.835 32.852 0.982 18507 8609 1 16 . 1 1 29 29 LYS H H 29 10.077 10.077 8.357 1.720 18507 8610 1 16 . 1 1 30 30 GLU N N 30 121.578 121.578 118.258 3.320 18507 8611 1 16 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.580 -0.383 18507 8612 1 16 . 1 1 30 30 GLU C C 30 173.541 173.541 174.111 -0.570 18507 8613 1 16 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.753 0.227 18507 8614 1 16 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.567 0.906 18507 8615 1 16 . 1 1 30 30 GLU H H 30 8.810 8.810 7.852 0.958 18507 8616 1 16 . 1 1 31 31 VAL N N 31 124.182 124.182 117.996 6.186 18507 8617 1 16 . 1 1 31 31 VAL HA H 31 4.540 4.540 5.176 -0.636 18507 8618 1 16 . 1 1 31 31 VAL C C 31 173.552 173.552 173.658 -0.106 18507 8619 1 16 . 1 1 31 31 VAL CA C 31 61.235 61.235 59.525 1.710 18507 8620 1 16 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.787 1.474 18507 8621 1 16 . 1 1 31 31 VAL H H 31 7.704 7.704 8.385 -0.681 18507 8622 1 16 . 1 1 32 32 PHE N N 32 123.930 123.930 122.874 1.056 18507 8623 1 16 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.586 -0.019 18507 8624 1 16 . 1 1 32 32 PHE C C 32 174.872 174.872 174.661 0.211 18507 8625 1 16 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.075 -1.090 18507 8626 1 16 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.744 0.605 18507 8627 1 16 . 1 1 32 32 PHE H H 32 8.856 8.856 8.205 0.651 18507 8628 1 16 . 1 1 33 33 ILE N N 33 116.493 116.493 121.172 -4.679 18507 8629 1 16 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.574 -0.094 18507 8630 1 16 . 1 1 33 33 ILE C C 33 174.067 174.067 174.291 -0.224 18507 8631 1 16 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.111 0.398 18507 8632 1 16 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.626 1.668 18507 8633 1 16 . 1 1 33 33 ILE H H 33 9.316 9.316 9.010 0.306 18507 8634 1 16 . 1 1 34 34 SER N N 34 116.962 116.962 122.288 -5.326 18507 8635 1 16 . 1 1 34 34 SER HA H 34 4.496 4.496 4.797 -0.301 18507 8636 1 16 . 1 1 34 34 SER C C 34 170.691 170.691 172.113 -1.422 18507 8637 1 16 . 1 1 34 34 SER CA C 34 57.343 57.343 56.583 0.760 18507 8638 1 16 . 1 1 34 34 SER CB C 34 67.249 67.249 65.094 2.155 18507 8639 1 16 . 1 1 34 34 SER H H 34 8.518 8.518 8.539 -0.021 18507 8640 1 16 . 1 1 35 35 GLY N N 35 106.806 106.806 108.897 -2.091 18507 8641 1 16 . 1 1 35 35 GLY C C 35 172.451 172.451 172.204 0.247 18507 8642 1 16 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.287 1.774 18507 8643 1 16 . 1 1 35 35 GLY H H 35 7.200 7.200 6.795 0.405 18507 8644 1 16 . 1 1 36 36 SER N N 36 115.550 115.550 116.281 -0.731 18507 8645 1 16 . 1 1 36 36 SER HA H 36 3.388 3.388 4.309 -0.921 18507 8646 1 16 . 1 1 36 36 SER C C 36 177.094 177.094 176.850 0.244 18507 8647 1 16 . 1 1 36 36 SER CA C 36 60.882 60.882 59.810 1.072 18507 8648 1 16 . 1 1 36 36 SER CB C 36 61.978 61.978 63.471 -1.494 18507 8649 1 16 . 1 1 36 36 SER H H 36 8.952 8.952 7.988 0.964 18507 8650 1 16 . 1 1 37 37 PHE N N 37 118.633 118.633 116.458 2.175 18507 8651 1 16 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.275 0.186 18507 8652 1 16 . 1 1 37 37 PHE C C 37 175.254 175.254 175.630 -0.376 18507 8653 1 16 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.431 -1.675 18507 8654 1 16 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.844 -0.081 18507 8655 1 16 . 1 1 37 37 PHE H H 37 6.475 6.475 8.076 -1.601 18507 8656 1 16 . 1 1 38 38 ASN N N 38 119.885 119.885 116.024 3.861 18507 8657 1 16 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.676 0.264 18507 8658 1 16 . 1 1 38 38 ASN C C 38 175.954 175.954 174.937 1.017 18507 8659 1 16 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.824 -0.543 18507 8660 1 16 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.816 -2.615 18507 8661 1 16 . 1 1 38 38 ASN H H 38 6.610 6.610 7.040 -0.430 18507 8662 1 16 . 1 1 39 39 ASN N N 39 117.264 117.264 118.484 -1.220 18507 8663 1 16 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.484 -0.174 18507 8664 1 16 . 1 1 39 39 ASN C C 39 173.171 173.171 174.871 -1.700 18507 8665 1 16 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.407 0.381 18507 8666 1 16 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.186 -0.192 18507 8667 1 16 . 1 1 39 39 ASN H H 39 7.822 7.822 7.798 0.024 18507 8668 1 16 . 1 1 40 40 TRP N N 40 113.463 113.463 113.723 -0.260 18507 8669 1 16 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.189 -0.188 18507 8670 1 16 . 1 1 40 40 TRP C C 40 177.457 177.457 176.361 1.096 18507 8671 1 16 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.938 -0.353 18507 8672 1 16 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.186 -1.399 18507 8673 1 16 . 1 1 40 40 TRP H H 40 8.300 8.300 7.687 0.613 18507 8674 1 16 . 1 1 41 41 SER N N 41 113.321 113.321 113.991 -0.670 18507 8675 1 16 . 1 1 41 41 SER HA H 41 4.216 4.216 4.653 -0.437 18507 8676 1 16 . 1 1 41 41 SER C C 41 174.913 174.913 174.083 0.830 18507 8677 1 16 . 1 1 41 41 SER CA C 41 60.460 60.460 58.871 1.589 18507 8678 1 16 . 1 1 41 41 SER CB C 41 64.591 64.591 64.433 0.159 18507 8679 1 16 . 1 1 41 41 SER H H 41 7.549 7.549 8.427 -0.878 18507 8680 1 16 . 1 1 42 42 THR N N 42 112.097 112.097 114.394 -2.297 18507 8681 1 16 . 1 1 42 42 THR HA H 42 4.576 4.576 4.387 0.189 18507 8682 1 16 . 1 1 42 42 THR C C 42 174.798 174.798 172.360 2.438 18507 8683 1 16 . 1 1 42 42 THR CA C 42 59.920 59.920 61.811 -1.891 18507 8684 1 16 . 1 1 42 42 THR CB C 42 71.457 71.457 70.302 1.155 18507 8685 1 16 . 1 1 42 42 THR H H 42 7.088 7.088 7.805 -0.717 18507 8686 1 16 . 1 1 43 43 LYS N N 43 122.104 122.104 124.705 -2.601 18507 8687 1 16 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.591 0.081 18507 8688 1 16 . 1 1 43 43 LYS C C 43 174.839 174.839 176.062 -1.223 18507 8689 1 16 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.817 0.476 18507 8690 1 16 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.847 -0.509 18507 8691 1 16 . 1 1 43 43 LYS H H 43 8.466 8.466 8.237 0.229 18507 8692 1 16 . 1 1 44 44 ILE N N 44 128.655 128.655 125.665 2.990 18507 8693 1 16 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.653 -0.025 18507 8694 1 16 . 1 1 44 44 ILE CA C 44 58.572 58.572 57.876 0.696 18507 8695 1 16 . 1 1 44 44 ILE CB C 44 40.104 40.104 39.166 0.938 18507 8696 1 16 . 1 1 44 44 ILE H H 44 9.596 9.596 8.890 0.706 18507 8697 1 16 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.160 0.145 18507 8698 1 16 . 1 1 45 45 PRO C C 45 174.315 174.315 176.089 -1.774 18507 8699 1 16 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.572 0.159 18507 8700 1 16 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.187 0.059 18507 8701 1 16 . 1 1 46 46 LEU N N 46 122.198 122.198 127.174 -4.976 18507 8702 1 16 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.583 -0.070 18507 8703 1 16 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.631 1.922 18507 8704 1 16 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.618 0.192 18507 8705 1 16 . 1 1 46 46 LEU H H 46 8.157 8.157 7.614 0.543 18507 8706 1 16 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.841 0.509 18507 8707 1 16 . 1 1 47 47 ILE C C 47 175.903 175.903 176.468 -0.565 18507 8708 1 16 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.213 -1.799 18507 8709 1 16 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.737 2.659 18507 8710 1 16 . 1 1 48 48 LYS N N 48 128.033 128.033 128.505 -0.472 18507 8711 1 16 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.818 0.088 18507 8712 1 16 . 1 1 48 48 LYS C C 48 176.252 176.252 175.724 0.528 18507 8713 1 16 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.694 0.008 18507 8714 1 16 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.701 -0.105 18507 8715 1 16 . 1 1 48 48 LYS H H 48 8.661 8.661 8.253 0.408 18507 8716 1 16 . 1 1 49 49 SER N N 49 122.194 122.194 118.632 3.562 18507 8717 1 16 . 1 1 49 49 SER HA H 49 4.367 4.367 4.702 -0.335 18507 8718 1 16 . 1 1 49 49 SER CA C 49 56.282 56.282 56.524 -0.242 18507 8719 1 16 . 1 1 49 49 SER CB C 49 62.849 62.849 64.534 -1.685 18507 8720 1 16 . 1 1 49 49 SER H H 49 8.638 8.638 8.305 0.333 18507 8721 1 16 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.366 -0.324 18507 8722 1 16 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.389 -0.405 18507 8723 1 16 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.889 -1.992 18507 8724 1 16 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.591 0.124 18507 8725 1 16 . 1 1 51 51 ASN C C 51 174.091 174.091 174.225 -0.134 18507 8726 1 16 . 1 1 51 51 ASN CA C 51 53.776 53.776 53.902 -0.126 18507 8727 1 16 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.356 -0.222 18507 8728 1 16 . 1 1 52 52 ASP N N 52 119.149 119.149 115.008 4.141 18507 8729 1 16 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.558 0.404 18507 8730 1 16 . 1 1 52 52 ASP C C 52 174.069 174.069 173.981 0.088 18507 8731 1 16 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.475 0.069 18507 8732 1 16 . 1 1 52 52 ASP CB C 52 43.556 43.556 41.721 1.835 18507 8733 1 16 . 1 1 52 52 ASP H H 52 8.031 8.031 7.441 0.590 18507 8734 1 16 . 1 1 53 53 PHE N N 53 118.169 118.169 117.588 0.581 18507 8735 1 16 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.602 0.548 18507 8736 1 16 . 1 1 53 53 PHE C C 53 175.583 175.583 175.279 0.304 18507 8737 1 16 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.535 -1.163 18507 8738 1 16 . 1 1 53 53 PHE CB C 53 41.891 41.891 39.945 1.946 18507 8739 1 16 . 1 1 53 53 PHE H H 53 8.534 8.534 8.832 -0.298 18507 8740 1 16 . 1 1 54 54 VAL N N 54 118.983 118.983 122.094 -3.111 18507 8741 1 16 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.558 0.767 18507 8742 1 16 . 1 1 54 54 VAL CA C 54 60.134 60.134 60.634 -0.500 18507 8743 1 16 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.638 0.112 18507 8744 1 16 . 1 1 54 54 VAL H H 54 9.324 9.324 8.124 1.200 18507 8745 1 16 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.772 -0.065 18507 8746 1 16 . 1 1 55 55 ALA C C 55 174.786 174.786 175.522 -0.736 18507 8747 1 16 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.403 0.484 18507 8748 1 16 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.500 -0.812 18507 8749 1 16 . 1 1 56 56 ILE N N 56 120.457 120.457 120.049 0.408 18507 8750 1 16 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.362 0.190 18507 8751 1 16 . 1 1 56 56 ILE C C 56 175.419 175.419 174.529 0.890 18507 8752 1 16 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.900 1.022 18507 8753 1 16 . 1 1 56 56 ILE CB C 56 38.491 38.491 37.994 0.497 18507 8754 1 16 . 1 1 56 56 ILE H H 56 8.239 8.239 8.617 -0.378 18507 8755 1 16 . 1 1 57 57 LEU N N 57 127.392 127.392 122.527 4.865 18507 8756 1 16 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.588 -0.082 18507 8757 1 16 . 1 1 57 57 LEU C C 57 175.108 175.108 175.232 -0.124 18507 8758 1 16 . 1 1 57 57 LEU CA C 57 52.742 52.742 53.473 -0.731 18507 8759 1 16 . 1 1 57 57 LEU CB C 57 45.170 45.170 45.240 -0.070 18507 8760 1 16 . 1 1 57 57 LEU H H 57 8.828 8.828 7.926 0.902 18507 8761 1 16 . 1 1 58 58 ASP N N 58 124.255 124.255 120.451 3.804 18507 8762 1 16 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.752 -0.124 18507 8763 1 16 . 1 1 58 58 ASP C C 58 175.066 175.066 175.575 -0.509 18507 8764 1 16 . 1 1 58 58 ASP CA C 58 52.941 52.941 53.888 -0.947 18507 8765 1 16 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.240 -0.533 18507 8766 1 16 . 1 1 58 58 ASP H H 58 8.571 8.571 8.192 0.379 18507 8767 1 16 . 1 1 59 59 LEU N N 59 124.092 124.092 125.272 -1.180 18507 8768 1 16 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.771 -0.236 18507 8769 1 16 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.209 -0.336 18507 8770 1 16 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.149 -0.115 18507 8771 1 16 . 1 1 59 59 LEU H H 59 7.681 7.681 7.790 -0.109 18507 8772 1 16 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.503 0.098 18507 8773 1 16 . 1 1 60 60 PRO C C 60 175.599 175.599 176.045 -0.446 18507 8774 1 16 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.115 -0.634 18507 8775 1 16 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.708 -0.040 18507 8776 1 16 . 1 1 61 61 GLU N N 61 119.164 119.164 121.830 -2.666 18507 8777 1 16 . 1 1 61 61 GLU HA H 61 3.859 3.859 4.053 -0.194 18507 8778 1 16 . 1 1 61 61 GLU C C 61 176.121 176.121 175.786 0.335 18507 8779 1 16 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.520 -0.062 18507 8780 1 16 . 1 1 61 61 GLU CB C 61 30.249 30.249 28.682 1.567 18507 8781 1 16 . 1 1 61 61 GLU H H 61 8.500 8.500 8.665 -0.165 18507 8782 1 16 . 1 1 62 62 GLY N N 62 111.529 111.529 113.595 -2.066 18507 8783 1 16 . 1 1 62 62 GLY C C 62 171.313 171.313 171.338 -0.025 18507 8784 1 16 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.013 -1.544 18507 8785 1 16 . 1 1 62 62 GLY H H 62 8.845 8.845 7.766 1.079 18507 8786 1 16 . 1 1 63 63 GLU N N 63 119.100 119.100 121.623 -2.523 18507 8787 1 16 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.841 -0.059 18507 8788 1 16 . 1 1 63 63 GLU C C 63 175.530 175.530 175.196 0.334 18507 8789 1 16 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.464 0.514 18507 8790 1 16 . 1 1 63 63 GLU CB C 63 31.383 31.383 31.307 0.076 18507 8791 1 16 . 1 1 63 63 GLU H H 63 8.015 8.015 8.359 -0.344 18507 8792 1 16 . 1 1 64 64 HIS N N 64 121.786 121.786 122.951 -1.165 18507 8793 1 16 . 1 1 64 64 HIS HA H 64 4.817 4.817 4.992 -0.175 18507 8794 1 16 . 1 1 64 64 HIS C C 64 174.358 174.358 173.271 1.087 18507 8795 1 16 . 1 1 64 64 HIS CA C 64 54.970 54.970 53.952 1.018 18507 8796 1 16 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.130 0.979 18507 8797 1 16 . 1 1 64 64 HIS H H 64 8.830 8.830 8.704 0.126 18507 8798 1 16 . 1 1 65 65 GLN N N 65 121.667 121.667 118.334 3.333 18507 8799 1 16 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.816 0.945 18507 8800 1 16 . 1 1 65 65 GLN C C 65 175.833 175.833 174.738 1.095 18507 8801 1 16 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.001 -1.168 18507 8802 1 16 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.581 0.684 18507 8803 1 16 . 1 1 65 65 GLN H H 65 8.637 8.637 8.904 -0.267 18507 8804 1 16 . 1 1 66 66 TYR N N 66 116.908 116.908 120.086 -3.178 18507 8805 1 16 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.382 -0.207 18507 8806 1 16 . 1 1 66 66 TYR C C 66 171.751 171.751 174.056 -2.305 18507 8807 1 16 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.748 2.235 18507 8808 1 16 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.639 -0.909 18507 8809 1 16 . 1 1 66 66 TYR H H 66 8.894 8.894 7.575 1.319 18507 8810 1 16 . 1 1 67 67 LYS N N 67 118.307 118.307 118.093 0.214 18507 8811 1 16 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.737 -0.104 18507 8812 1 16 . 1 1 67 67 LYS C C 67 173.317 173.317 174.968 -1.651 18507 8813 1 16 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.974 1.903 18507 8814 1 16 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.880 0.320 18507 8815 1 16 . 1 1 67 67 LYS H H 67 8.927 8.927 8.392 0.535 18507 8816 1 16 . 1 1 68 68 PHE N N 68 118.691 118.691 122.510 -3.819 18507 8817 1 16 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.309 0.222 18507 8818 1 16 . 1 1 68 68 PHE C C 68 173.861 173.861 175.521 -1.660 18507 8819 1 16 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.755 0.193 18507 8820 1 16 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.350 -0.078 18507 8821 1 16 . 1 1 68 68 PHE H H 68 8.436 8.436 8.332 0.104 18507 8822 1 16 . 1 1 69 69 PHE N N 69 125.718 125.718 123.643 2.075 18507 8823 1 16 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.961 -0.238 18507 8824 1 16 . 1 1 69 69 PHE C C 69 174.574 174.574 173.235 1.339 18507 8825 1 16 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.644 -0.808 18507 8826 1 16 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.631 -0.475 18507 8827 1 16 . 1 1 69 69 PHE H H 69 9.000 9.000 8.650 0.350 18507 8828 1 16 . 1 1 70 70 VAL N N 70 126.808 126.808 125.720 1.088 18507 8829 1 16 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.197 0.126 18507 8830 1 16 . 1 1 70 70 VAL C C 70 175.641 175.641 175.445 0.196 18507 8831 1 16 . 1 1 70 70 VAL CA C 70 60.508 60.508 58.910 1.598 18507 8832 1 16 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.028 -0.557 18507 8833 1 16 . 1 1 70 70 VAL H H 70 8.688 8.688 7.939 0.749 18507 8834 1 16 . 1 1 71 71 ASP N N 71 128.747 128.747 126.069 2.678 18507 8835 1 16 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.194 0.041 18507 8836 1 16 . 1 1 71 71 ASP C C 71 176.119 176.119 176.464 -0.345 18507 8837 1 16 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.644 1.005 18507 8838 1 16 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.121 -0.492 18507 8839 1 16 . 1 1 71 71 ASP H H 71 8.890 8.890 9.120 -0.230 18507 8840 1 16 . 1 1 72 72 GLY N N 72 100.856 100.856 104.366 -3.510 18507 8841 1 16 . 1 1 72 72 GLY C C 72 173.149 173.149 173.161 -0.012 18507 8842 1 16 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.279 -0.024 18507 8843 1 16 . 1 1 72 72 GLY H H 72 7.437 7.437 8.434 -0.997 18507 8844 1 16 . 1 1 73 73 GLN N N 73 117.716 117.716 113.799 3.917 18507 8845 1 16 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.410 0.070 18507 8846 1 16 . 1 1 73 73 GLN C C 73 173.981 173.981 173.036 0.945 18507 8847 1 16 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.077 0.208 18507 8848 1 16 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.630 1.280 18507 8849 1 16 . 1 1 73 73 GLN H H 73 6.923 6.923 6.438 0.485 18507 8850 1 16 . 1 1 74 74 TRP N N 74 123.738 123.738 121.681 2.057 18507 8851 1 16 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.177 0.636 18507 8852 1 16 . 1 1 74 74 TRP C C 74 177.239 177.239 176.995 0.244 18507 8853 1 16 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.410 -0.622 18507 8854 1 16 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.987 -0.069 18507 8855 1 16 . 1 1 74 74 TRP H H 74 8.836 8.836 8.726 0.110 18507 8856 1 16 . 1 1 75 75 VAL N N 75 121.900 121.900 119.197 2.703 18507 8857 1 16 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.581 0.405 18507 8858 1 16 . 1 1 75 75 VAL C C 75 172.903 172.903 173.940 -1.037 18507 8859 1 16 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.399 1.226 18507 8860 1 16 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.363 1.291 18507 8861 1 16 . 1 1 75 75 VAL H H 75 10.049 10.049 8.709 1.340 18507 8862 1 16 . 1 1 76 76 HIS N N 76 119.400 119.400 116.215 3.185 18507 8863 1 16 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.230 0.348 18507 8864 1 16 . 1 1 76 76 HIS C C 76 173.084 173.084 173.454 -0.370 18507 8865 1 16 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.238 0.022 18507 8866 1 16 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.483 0.324 18507 8867 1 16 . 1 1 76 76 HIS H H 76 7.758 7.758 8.093 -0.335 18507 8868 1 16 . 1 1 77 77 ASP N N 77 121.057 121.057 121.034 0.023 18507 8869 1 16 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.075 0.029 18507 8870 1 16 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.931 -0.467 18507 8871 1 16 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.495 -0.226 18507 8872 1 16 . 1 1 77 77 ASP H H 77 10.717 10.717 9.104 1.613 18507 8873 1 16 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.597 -0.062 18507 8874 1 16 . 1 1 78 78 PRO C C 78 177.387 177.387 177.615 -0.228 18507 8875 1 16 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.121 -0.524 18507 8876 1 16 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.408 -0.082 18507 8877 1 16 . 1 1 79 79 SER N N 79 116.058 116.058 113.458 2.600 18507 8878 1 16 . 1 1 79 79 SER HA H 79 4.477 4.477 4.423 0.054 18507 8879 1 16 . 1 1 79 79 SER C C 79 173.819 173.819 174.953 -1.134 18507 8880 1 16 . 1 1 79 79 SER CA C 79 59.369 59.369 60.024 -0.655 18507 8881 1 16 . 1 1 79 79 SER CB C 79 63.875 63.875 63.665 0.210 18507 8882 1 16 . 1 1 79 79 SER H H 79 8.853 8.853 8.114 0.739 18507 8883 1 16 . 1 1 80 80 GLU N N 80 122.620 122.620 120.637 1.983 18507 8884 1 16 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.735 0.224 18507 8885 1 16 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.952 -0.551 18507 8886 1 16 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.003 0.617 18507 8887 1 16 . 1 1 80 80 GLU H H 80 7.332 7.332 7.406 -0.074 18507 8888 1 16 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.455 -0.016 18507 8889 1 16 . 1 1 81 81 PRO C C 81 177.020 177.020 175.678 1.342 18507 8890 1 16 . 1 1 81 81 PRO CA C 81 63.696 63.696 62.963 0.733 18507 8891 1 16 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.423 -2.204 18507 8892 1 16 . 1 1 82 82 VAL N N 82 114.720 114.720 117.969 -3.249 18507 8893 1 16 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.916 0.551 18507 8894 1 16 . 1 1 82 82 VAL C C 82 175.787 175.787 175.150 0.637 18507 8895 1 16 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.547 -0.948 18507 8896 1 16 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.443 3.315 18507 8897 1 16 . 1 1 82 82 VAL H H 82 8.221 8.221 7.922 0.299 18507 8898 1 16 . 1 1 83 83 VAL N N 83 117.999 117.999 121.635 -3.636 18507 8899 1 16 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.397 0.013 18507 8900 1 16 . 1 1 83 83 VAL C C 83 173.384 173.384 174.312 -0.928 18507 8901 1 16 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.274 -0.741 18507 8902 1 16 . 1 1 83 83 VAL CB C 83 35.305 35.305 35.829 -0.524 18507 8903 1 16 . 1 1 83 83 VAL H H 83 8.898 8.898 8.756 0.142 18507 8904 1 16 . 1 1 84 84 THR N N 84 120.469 120.469 123.800 -3.331 18507 8905 1 16 . 1 1 84 84 THR HA H 84 4.751 4.751 4.447 0.304 18507 8906 1 16 . 1 1 84 84 THR C C 84 174.975 174.975 174.095 0.880 18507 8907 1 16 . 1 1 84 84 THR CA C 84 61.446 61.446 62.888 -1.442 18507 8908 1 16 . 1 1 84 84 THR CB C 84 68.959 68.959 68.197 0.762 18507 8909 1 16 . 1 1 84 84 THR H H 84 8.309 8.309 8.318 -0.009 18507 8910 1 16 . 1 1 85 85 SER N N 85 123.544 123.544 121.374 2.170 18507 8911 1 16 . 1 1 85 85 SER HA H 85 4.533 4.533 4.283 0.250 18507 8912 1 16 . 1 1 85 85 SER CA C 85 57.027 57.027 57.825 -0.798 18507 8913 1 16 . 1 1 85 85 SER CB C 85 65.264 65.264 64.535 0.729 18507 8914 1 16 . 1 1 85 85 SER H H 85 9.137 9.137 8.387 0.750 18507 8915 1 16 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.142 -0.050 18507 8916 1 16 . 1 1 86 86 GLN C C 86 176.451 176.451 176.065 0.386 18507 8917 1 16 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.031 0.039 18507 8918 1 16 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.319 -0.184 18507 8919 1 16 . 1 1 87 87 LEU N N 87 117.032 117.032 118.982 -1.950 18507 8920 1 16 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.413 -0.154 18507 8921 1 16 . 1 1 87 87 LEU C C 87 177.470 177.470 177.531 -0.061 18507 8922 1 16 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.503 0.147 18507 8923 1 16 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.936 0.740 18507 8924 1 16 . 1 1 87 87 LEU H H 87 7.692 7.692 8.103 -0.411 18507 8925 1 16 . 1 1 88 88 GLY N N 88 107.770 107.770 108.685 -0.915 18507 8926 1 16 . 1 1 88 88 GLY C C 88 174.029 174.029 173.859 0.170 18507 8927 1 16 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.699 -0.437 18507 8928 1 16 . 1 1 88 88 GLY H H 88 7.932 7.932 8.154 -0.222 18507 8929 1 16 . 1 1 89 89 THR N N 89 112.596 112.596 112.581 0.015 18507 8930 1 16 . 1 1 89 89 THR HA H 89 4.259 4.259 4.517 -0.258 18507 8931 1 16 . 1 1 89 89 THR C C 89 172.837 172.837 174.314 -1.477 18507 8932 1 16 . 1 1 89 89 THR CA C 89 60.743 60.743 59.873 0.870 18507 8933 1 16 . 1 1 89 89 THR CB C 89 69.845 69.845 70.220 -0.375 18507 8934 1 16 . 1 1 89 89 THR H H 89 7.148 7.148 7.212 -0.064 18507 8935 1 16 . 1 1 90 90 ILE N N 90 123.927 123.927 127.385 -3.458 18507 8936 1 16 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.269 0.141 18507 8937 1 16 . 1 1 90 90 ILE C C 90 175.007 175.007 175.131 -0.124 18507 8938 1 16 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.312 0.239 18507 8939 1 16 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.710 2.225 18507 8940 1 16 . 1 1 90 90 ILE H H 90 8.514 8.514 8.795 -0.281 18507 8941 1 16 . 1 1 91 91 ASN N N 91 123.450 123.450 123.475 -0.025 18507 8942 1 16 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.955 0.332 18507 8943 1 16 . 1 1 91 91 ASN C C 91 175.916 175.916 173.648 2.268 18507 8944 1 16 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.621 -0.645 18507 8945 1 16 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.396 0.780 18507 8946 1 16 . 1 1 91 91 ASN H H 91 8.497 8.497 8.432 0.065 18507 8947 1 16 . 1 1 92 92 ASN N N 92 115.675 115.675 117.155 -1.480 18507 8948 1 16 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.599 1.012 18507 8949 1 16 . 1 1 92 92 ASN C C 92 173.765 173.765 173.660 0.105 18507 8950 1 16 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.776 1.036 18507 8951 1 16 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.075 2.668 18507 8952 1 16 . 1 1 92 92 ASN H H 92 8.721 8.721 8.476 0.245 18507 8953 1 16 . 1 1 93 93 LEU N N 93 120.001 120.001 119.640 0.361 18507 8954 1 16 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.777 0.560 18507 8955 1 16 . 1 1 93 93 LEU C C 93 175.864 175.864 175.155 0.709 18507 8956 1 16 . 1 1 93 93 LEU CA C 93 53.522 53.522 53.986 -0.464 18507 8957 1 16 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.684 1.439 18507 8958 1 16 . 1 1 93 93 LEU H H 93 7.661 7.661 7.704 -0.043 18507 8959 1 16 . 1 1 94 94 ILE N N 94 124.682 124.682 124.787 -0.105 18507 8960 1 16 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.531 0.316 18507 8961 1 16 . 1 1 94 94 ILE C C 94 172.078 172.078 173.227 -1.149 18507 8962 1 16 . 1 1 94 94 ILE CA C 94 59.351 59.351 59.876 -0.525 18507 8963 1 16 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.619 -0.528 18507 8964 1 16 . 1 1 94 94 ILE H H 94 9.282 9.282 9.149 0.133 18507 8965 1 16 . 1 1 95 95 HIS N N 95 126.782 126.782 125.483 1.299 18507 8966 1 16 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.154 -0.044 18507 8967 1 16 . 1 1 95 95 HIS C C 95 174.655 174.655 174.437 0.218 18507 8968 1 16 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.794 -0.460 18507 8969 1 16 . 1 1 95 95 HIS CB C 95 31.399 31.399 31.151 0.248 18507 8970 1 16 . 1 1 95 95 HIS H H 95 8.690 8.690 8.510 0.180 18507 8971 1 16 . 1 1 96 96 VAL N N 96 128.616 128.616 125.451 3.165 18507 8972 1 16 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.335 -0.220 18507 8973 1 16 . 1 1 96 96 VAL C C 96 175.515 175.515 175.612 -0.097 18507 8974 1 16 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.123 1.379 18507 8975 1 16 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.084 -0.752 18507 8976 1 16 . 1 1 96 96 VAL H H 96 9.082 9.082 9.195 -0.113 18507 8977 1 16 . 1 1 97 97 LYS N N 97 128.692 128.692 125.203 3.489 18507 8978 1 16 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.673 -0.123 18507 8979 1 16 . 1 1 97 97 LYS C C 97 176.019 176.019 175.553 0.466 18507 8980 1 16 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.494 0.597 18507 8981 1 16 . 1 1 97 97 LYS CB C 97 34.588 34.588 34.793 -0.205 18507 8982 1 16 . 1 1 97 97 LYS H H 97 8.708 8.708 8.542 0.166 18507 8983 1 16 . 1 1 98 98 LYS N N 98 122.635 122.635 118.895 3.740 18507 8984 1 16 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.607 -0.485 18507 8985 1 16 . 1 1 98 98 LYS C C 98 176.947 176.947 175.716 1.231 18507 8986 1 16 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.747 1.485 18507 8987 1 16 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.573 -0.724 18507 8988 1 16 . 1 1 98 98 LYS H H 98 8.717 8.717 8.563 0.154 18507 8989 1 16 . 1 1 99 99 SER N N 99 116.737 116.737 115.502 1.235 18507 8990 1 16 . 1 1 99 99 SER HA H 99 4.357 4.357 4.474 -0.117 18507 8991 1 16 . 1 1 99 99 SER C C 99 174.335 174.335 174.669 -0.334 18507 8992 1 16 . 1 1 99 99 SER CA C 99 58.240 58.240 57.942 0.298 18507 8993 1 16 . 1 1 99 99 SER CB C 99 63.664 63.664 63.531 0.133 18507 8994 1 16 . 1 1 99 99 SER H H 99 8.393 8.393 8.797 -0.404 18507 8995 1 16 . 1 1 100 100 ASP N N 100 122.287 122.287 120.902 1.385 18507 8996 1 16 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.315 0.211 18507 8997 1 16 . 1 1 100 100 ASP C C 100 175.823 175.823 176.520 -0.697 18507 8998 1 16 . 1 1 100 100 ASP CA C 100 54.813 54.813 56.765 -1.952 18507 8999 1 16 . 1 1 100 100 ASP CB C 100 40.938 40.938 40.751 0.187 18507 9000 1 16 . 1 1 100 100 ASP H H 100 8.288 8.288 8.505 -0.217 18507 9001 1 16 . 1 1 101 101 PHE N N 101 118.668 118.668 114.065 4.603 18507 9002 1 16 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.351 0.224 18507 9003 1 16 . 1 1 101 101 PHE C C 101 175.279 175.279 176.432 -1.153 18507 9004 1 16 . 1 1 101 101 PHE CA C 101 57.462 57.462 58.321 -0.859 18507 9005 1 16 . 1 1 101 101 PHE CB C 101 39.557 39.557 38.615 0.942 18507 9006 1 16 . 1 1 101 101 PHE H H 101 7.923 7.923 8.088 -0.165 18507 9007 1 16 . 1 1 102 102 GLU N N 102 122.081 122.081 118.995 3.086 18507 9008 1 16 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.734 0.446 18507 9009 1 16 . 1 1 102 102 GLU C C 102 175.388 175.388 176.437 -1.049 18507 9010 1 16 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.701 -1.393 18507 9011 1 16 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.346 1.239 18507 9012 1 16 . 1 1 102 102 GLU H H 102 8.138 8.138 7.247 0.891 18507 9013 1 16 . 1 1 103 103 VAL N N 103 120.545 120.545 117.399 3.146 18507 9014 1 16 . 1 1 103 103 VAL HA H 103 4.024 4.024 4.248 -0.224 18507 9015 1 16 . 1 1 103 103 VAL C C 103 175.359 175.359 174.721 0.638 18507 9016 1 16 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.261 0.412 18507 9017 1 16 . 1 1 103 103 VAL CB C 103 33.098 33.098 33.478 -0.380 18507 9018 1 16 . 1 1 103 103 VAL H H 103 7.934 7.934 7.206 0.728 18507 9019 1 16 . 1 1 104 104 PHE N N 104 124.359 124.359 123.673 0.686 18507 9020 1 16 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.615 0.080 18507 9021 1 16 . 1 1 104 104 PHE C C 104 174.530 174.530 176.071 -1.541 18507 9022 1 16 . 1 1 104 104 PHE CA C 104 57.140 57.140 58.863 -1.723 18507 9023 1 16 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.589 0.375 18507 9024 1 16 . 1 1 104 104 PHE H H 104 8.340 8.340 8.531 -0.191 18507 9025 1 17 . 1 1 2 2 ALA N N 2 129.609 129.609 123.519 6.090 18507 9026 1 17 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.213 0.123 18507 9027 1 17 . 1 1 2 2 ALA C C 2 177.730 177.730 176.598 1.132 18507 9028 1 17 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.713 -0.123 18507 9029 1 17 . 1 1 2 2 ALA CB C 2 19.509 19.509 18.026 1.483 18507 9030 1 17 . 1 1 2 2 ALA H H 2 8.252 8.252 8.242 0.010 18507 9031 1 17 . 1 1 3 3 MET N N 3 119.597 119.597 115.601 3.996 18507 9032 1 17 . 1 1 3 3 MET HA H 3 4.457 4.457 4.716 -0.259 18507 9033 1 17 . 1 1 3 3 MET C C 3 176.640 176.640 176.035 0.605 18507 9034 1 17 . 1 1 3 3 MET CA C 3 55.433 55.433 55.060 0.373 18507 9035 1 17 . 1 1 3 3 MET CB C 3 32.141 32.141 33.935 -1.794 18507 9036 1 17 . 1 1 3 3 MET H H 3 8.526 8.526 7.719 0.807 18507 9037 1 17 . 1 1 4 4 GLY N N 4 110.104 110.104 107.942 2.162 18507 9038 1 17 . 1 1 4 4 GLY C C 4 173.846 173.846 174.613 -0.767 18507 9039 1 17 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.938 0.351 18507 9040 1 17 . 1 1 4 4 GLY H H 4 8.388 8.388 8.492 -0.104 18507 9041 1 17 . 1 1 5 5 ILE N N 5 120.177 120.177 121.563 -1.386 18507 9042 1 17 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.234 -0.092 18507 9043 1 17 . 1 1 5 5 ILE C C 5 176.245 176.245 175.944 0.301 18507 9044 1 17 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.137 0.569 18507 9045 1 17 . 1 1 5 5 ILE CB C 5 38.686 38.686 36.119 2.567 18507 9046 1 17 . 1 1 5 5 ILE H H 5 7.995 7.995 7.905 0.090 18507 9047 1 17 . 1 1 6 6 ARG N N 6 125.295 125.295 128.380 -3.085 18507 9048 1 17 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.507 -0.160 18507 9049 1 17 . 1 1 6 6 ARG C C 6 174.908 174.908 175.002 -0.094 18507 9050 1 17 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.256 0.556 18507 9051 1 17 . 1 1 6 6 ARG CB C 6 30.829 30.829 29.027 1.802 18507 9052 1 17 . 1 1 6 6 ARG H H 6 8.451 8.451 8.538 -0.087 18507 9053 1 17 . 1 1 7 7 ASN N N 7 125.979 125.979 118.944 7.035 18507 9054 1 17 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.747 -0.264 18507 9055 1 17 . 1 1 7 7 ASN C C 7 175.993 175.993 174.998 0.995 18507 9056 1 17 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.729 1.970 18507 9057 1 17 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.967 0.777 18507 9058 1 17 . 1 1 7 7 ASN H H 7 8.072 8.072 8.002 0.070 18507 9059 1 17 . 1 1 8 8 SER N N 8 120.939 120.939 117.942 2.997 18507 9060 1 17 . 1 1 8 8 SER C C 8 174.402 174.402 174.279 0.123 18507 9061 1 17 . 1 1 8 8 SER CA C 8 58.678 58.678 59.027 -0.349 18507 9062 1 17 . 1 1 8 8 SER CB C 8 63.735 63.735 63.624 0.111 18507 9063 1 17 . 1 1 8 8 SER H H 8 8.363 8.363 8.570 -0.207 18507 9064 1 17 . 1 1 9 9 ASP N N 9 122.169 122.169 125.741 -3.572 18507 9065 1 17 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.598 0.014 18507 9066 1 17 . 1 1 9 9 ASP C C 9 176.302 176.302 176.362 -0.060 18507 9067 1 17 . 1 1 9 9 ASP CA C 9 54.667 54.667 56.021 -1.354 18507 9068 1 17 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.411 -0.319 18507 9069 1 17 . 1 1 9 9 ASP H H 9 8.334 8.334 8.721 -0.387 18507 9070 1 17 . 1 1 10 10 SER N N 10 115.330 115.330 110.669 4.661 18507 9071 1 17 . 1 1 10 10 SER HA H 10 4.408 4.408 4.530 -0.122 18507 9072 1 17 . 1 1 10 10 SER C C 10 174.338 174.338 172.887 1.451 18507 9073 1 17 . 1 1 10 10 SER CA C 10 58.421 58.421 57.339 1.082 18507 9074 1 17 . 1 1 10 10 SER CB C 10 63.749 63.749 64.001 -0.252 18507 9075 1 17 . 1 1 10 10 SER H H 10 8.130 8.130 7.815 0.315 18507 9076 1 17 . 1 1 11 11 VAL N N 11 121.719 121.719 119.691 2.028 18507 9077 1 17 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.469 -0.381 18507 9078 1 17 . 1 1 11 11 VAL C C 11 175.837 175.837 174.665 1.172 18507 9079 1 17 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.978 -0.006 18507 9080 1 17 . 1 1 11 11 VAL CB C 11 32.508 32.508 32.768 -0.260 18507 9081 1 17 . 1 1 11 11 VAL H H 11 8.040 8.040 8.372 -0.332 18507 9082 1 17 . 1 1 12 12 LYS N N 12 126.544 126.544 128.832 -2.288 18507 9083 1 17 . 1 1 12 12 LYS H H 12 8.349 8.349 8.515 -0.166 18507 9084 1 17 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.332 0.127 18507 9085 1 17 . 1 1 13 13 PRO C C 13 177.038 177.038 176.718 0.320 18507 9086 1 17 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.572 -0.704 18507 9087 1 17 . 1 1 13 13 PRO CB C 13 32.182 32.182 32.016 0.166 18507 9088 1 17 . 1 1 14 14 THR N N 14 114.515 114.515 110.872 3.643 18507 9089 1 17 . 1 1 14 14 THR HA H 14 4.255 4.255 4.506 -0.251 18507 9090 1 17 . 1 1 14 14 THR C C 14 174.477 174.477 173.492 0.985 18507 9091 1 17 . 1 1 14 14 THR CA C 14 61.813 61.813 61.801 0.012 18507 9092 1 17 . 1 1 14 14 THR CB C 14 69.675 69.675 70.298 -0.623 18507 9093 1 17 . 1 1 14 14 THR H H 14 8.234 8.234 7.729 0.505 18507 9094 1 17 . 1 1 15 15 GLN N N 15 122.586 122.586 122.336 0.250 18507 9095 1 17 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.336 0.010 18507 9096 1 17 . 1 1 15 15 GLN C C 15 175.452 175.452 174.442 1.010 18507 9097 1 17 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.339 -0.777 18507 9098 1 17 . 1 1 15 15 GLN CB C 15 29.535 29.535 30.530 -0.995 18507 9099 1 17 . 1 1 15 15 GLN H H 15 8.380 8.380 8.470 -0.090 18507 9100 1 17 . 1 1 16 16 GLN N N 16 122.137 122.137 124.033 -1.896 18507 9101 1 17 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.766 -0.506 18507 9102 1 17 . 1 1 16 16 GLN C C 16 175.050 175.050 173.861 1.189 18507 9103 1 17 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.197 0.345 18507 9104 1 17 . 1 1 16 16 GLN CB C 16 29.726 29.726 30.069 -0.343 18507 9105 1 17 . 1 1 16 16 GLN H H 16 8.457 8.457 8.679 -0.222 18507 9106 1 17 . 1 1 17 17 ALA N N 17 125.292 125.292 124.257 1.035 18507 9107 1 17 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.481 -0.170 18507 9108 1 17 . 1 1 17 17 ALA C C 17 176.628 176.628 175.943 0.685 18507 9109 1 17 . 1 1 17 17 ALA CA C 17 51.712 51.712 52.246 -0.534 18507 9110 1 17 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.555 -0.588 18507 9111 1 17 . 1 1 17 17 ALA H H 17 8.323 8.323 8.365 -0.042 18507 9112 1 17 . 1 1 18 18 ARG N N 18 122.106 122.106 121.756 0.350 18507 9113 1 17 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.683 -0.062 18507 9114 1 17 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.801 -0.575 18507 9115 1 17 . 1 1 18 18 ARG CB C 18 30.775 30.775 31.076 -0.301 18507 9116 1 17 . 1 1 18 18 ARG H H 18 8.591 8.591 8.582 0.009 18507 9117 1 17 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.451 0.133 18507 9118 1 17 . 1 1 19 19 PRO C C 19 176.098 176.098 176.290 -0.192 18507 9119 1 17 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.493 0.468 18507 9120 1 17 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.268 -0.123 18507 9121 1 17 . 1 1 20 20 THR N N 20 121.694 121.694 113.455 8.239 18507 9122 1 17 . 1 1 20 20 THR HA H 20 4.228 4.228 4.300 -0.072 18507 9123 1 17 . 1 1 20 20 THR C C 20 172.413 172.413 174.364 -1.951 18507 9124 1 17 . 1 1 20 20 THR CA C 20 62.891 62.891 60.422 2.469 18507 9125 1 17 . 1 1 20 20 THR CB C 20 71.036 71.036 69.806 1.230 18507 9126 1 17 . 1 1 20 20 THR H H 20 9.046 9.046 8.199 0.847 18507 9127 1 17 . 1 1 21 21 VAL N N 21 127.141 127.141 125.551 1.590 18507 9128 1 17 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.228 0.319 18507 9129 1 17 . 1 1 21 21 VAL C C 21 175.345 175.345 174.774 0.571 18507 9130 1 17 . 1 1 21 21 VAL CA C 21 61.780 61.780 61.388 0.392 18507 9131 1 17 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.337 0.922 18507 9132 1 17 . 1 1 21 21 VAL H H 21 8.572 8.572 8.314 0.258 18507 9133 1 17 . 1 1 22 22 ILE N N 22 130.341 130.341 127.517 2.824 18507 9134 1 17 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.488 -0.195 18507 9135 1 17 . 1 1 22 22 ILE C C 22 173.794 173.794 174.528 -0.734 18507 9136 1 17 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.557 -1.107 18507 9137 1 17 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.511 -2.847 18507 9138 1 17 . 1 1 22 22 ILE H H 22 8.913 8.913 8.177 0.736 18507 9139 1 17 . 1 1 23 23 ARG N N 23 125.596 125.596 125.641 -0.045 18507 9140 1 17 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.147 0.362 18507 9141 1 17 . 1 1 23 23 ARG C C 23 174.125 174.125 174.528 -0.403 18507 9142 1 17 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.134 -1.129 18507 9143 1 17 . 1 1 23 23 ARG CB C 23 34.584 34.584 32.086 2.498 18507 9144 1 17 . 1 1 23 23 ARG H H 23 8.595 8.595 8.715 -0.120 18507 9145 1 17 . 1 1 24 24 TRP N N 24 123.124 123.124 127.866 -4.742 18507 9146 1 17 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.833 -0.046 18507 9147 1 17 . 1 1 24 24 TRP C C 24 177.208 177.208 173.776 3.432 18507 9148 1 17 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.068 -0.094 18507 9149 1 17 . 1 1 24 24 TRP CB C 24 32.407 32.407 31.644 0.763 18507 9150 1 17 . 1 1 24 24 TRP H H 24 9.098 9.098 9.126 -0.028 18507 9151 1 17 . 1 1 25 25 SER N N 25 123.623 123.623 120.436 3.187 18507 9152 1 17 . 1 1 25 25 SER HA H 25 4.827 4.827 4.707 0.120 18507 9153 1 17 . 1 1 25 25 SER CA C 25 58.442 58.442 57.053 1.389 18507 9154 1 17 . 1 1 25 25 SER CB C 25 63.993 63.993 64.176 -0.183 18507 9155 1 17 . 1 1 25 25 SER H H 25 8.837 8.837 8.045 0.792 18507 9156 1 17 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.400 -0.259 18507 9157 1 17 . 1 1 26 26 GLU C C 26 175.915 175.915 176.424 -0.509 18507 9158 1 17 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.279 -1.016 18507 9159 1 17 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.576 -1.292 18507 9160 1 17 . 1 1 27 27 GLY N N 27 109.186 109.186 108.556 0.630 18507 9161 1 17 . 1 1 27 27 GLY C C 27 173.380 173.380 174.440 -1.060 18507 9162 1 17 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.226 -0.594 18507 9163 1 17 . 1 1 27 27 GLY H H 27 8.434 8.434 8.631 -0.197 18507 9164 1 17 . 1 1 28 28 GLY N N 28 106.478 106.478 108.164 -1.686 18507 9165 1 17 . 1 1 28 28 GLY C C 28 172.572 172.572 174.618 -2.046 18507 9166 1 17 . 1 1 28 28 GLY CA C 28 43.697 43.697 43.963 -0.266 18507 9167 1 17 . 1 1 28 28 GLY H H 28 7.948 7.948 7.917 0.031 18507 9168 1 17 . 1 1 29 29 LYS N N 29 120.742 120.742 118.291 2.451 18507 9169 1 17 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.543 0.072 18507 9170 1 17 . 1 1 29 29 LYS C C 29 177.173 177.173 175.777 1.396 18507 9171 1 17 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.769 1.182 18507 9172 1 17 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.684 0.151 18507 9173 1 17 . 1 1 29 29 LYS H H 29 10.077 10.077 8.490 1.587 18507 9174 1 17 . 1 1 30 30 GLU N N 30 121.578 121.578 117.155 4.423 18507 9175 1 17 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.432 -0.235 18507 9176 1 17 . 1 1 30 30 GLU C C 30 173.541 173.541 173.519 0.022 18507 9177 1 17 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.547 0.433 18507 9178 1 17 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.720 0.753 18507 9179 1 17 . 1 1 30 30 GLU H H 30 8.810 8.810 7.849 0.961 18507 9180 1 17 . 1 1 31 31 VAL N N 31 124.182 124.182 122.122 2.060 18507 9181 1 17 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.807 -0.267 18507 9182 1 17 . 1 1 31 31 VAL C C 31 173.552 173.552 174.257 -0.705 18507 9183 1 17 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.779 0.456 18507 9184 1 17 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.398 1.863 18507 9185 1 17 . 1 1 31 31 VAL H H 31 7.704 7.704 8.245 -0.541 18507 9186 1 17 . 1 1 32 32 PHE N N 32 123.930 123.930 124.871 -0.941 18507 9187 1 17 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.432 0.135 18507 9188 1 17 . 1 1 32 32 PHE C C 32 174.872 174.872 174.440 0.432 18507 9189 1 17 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.355 -1.370 18507 9190 1 17 . 1 1 32 32 PHE CB C 32 44.349 44.349 44.093 0.256 18507 9191 1 17 . 1 1 32 32 PHE H H 32 8.856 8.856 8.319 0.537 18507 9192 1 17 . 1 1 33 33 ILE N N 33 116.493 116.493 121.255 -4.762 18507 9193 1 17 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.632 -0.152 18507 9194 1 17 . 1 1 33 33 ILE C C 33 174.067 174.067 174.288 -0.221 18507 9195 1 17 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.141 0.368 18507 9196 1 17 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.723 1.571 18507 9197 1 17 . 1 1 33 33 ILE H H 33 9.316 9.316 9.193 0.123 18507 9198 1 17 . 1 1 34 34 SER N N 34 116.962 116.962 122.406 -5.444 18507 9199 1 17 . 1 1 34 34 SER HA H 34 4.496 4.496 4.832 -0.336 18507 9200 1 17 . 1 1 34 34 SER C C 34 170.691 170.691 172.337 -1.646 18507 9201 1 17 . 1 1 34 34 SER CA C 34 57.343 57.343 57.431 -0.088 18507 9202 1 17 . 1 1 34 34 SER CB C 34 67.249 67.249 66.459 0.790 18507 9203 1 17 . 1 1 34 34 SER H H 34 8.518 8.518 8.514 0.004 18507 9204 1 17 . 1 1 35 35 GLY N N 35 106.806 106.806 107.878 -1.072 18507 9205 1 17 . 1 1 35 35 GLY C C 35 172.451 172.451 172.368 0.083 18507 9206 1 17 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.362 1.699 18507 9207 1 17 . 1 1 35 35 GLY H H 35 7.200 7.200 6.846 0.354 18507 9208 1 17 . 1 1 36 36 SER N N 36 115.550 115.550 115.882 -0.332 18507 9209 1 17 . 1 1 36 36 SER HA H 36 3.388 3.388 4.290 -0.902 18507 9210 1 17 . 1 1 36 36 SER C C 36 177.094 177.094 176.907 0.187 18507 9211 1 17 . 1 1 36 36 SER CA C 36 60.882 60.882 60.819 0.063 18507 9212 1 17 . 1 1 36 36 SER CB C 36 61.978 61.978 63.470 -1.492 18507 9213 1 17 . 1 1 36 36 SER H H 36 8.952 8.952 7.877 1.075 18507 9214 1 17 . 1 1 37 37 PHE N N 37 118.633 118.633 119.042 -0.409 18507 9215 1 17 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.272 0.189 18507 9216 1 17 . 1 1 37 37 PHE C C 37 175.254 175.254 175.713 -0.459 18507 9217 1 17 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.075 -1.319 18507 9218 1 17 . 1 1 37 37 PHE CB C 37 37.763 37.763 38.206 -0.443 18507 9219 1 17 . 1 1 37 37 PHE H H 37 6.475 6.475 7.817 -1.342 18507 9220 1 17 . 1 1 38 38 ASN N N 38 119.885 119.885 116.238 3.647 18507 9221 1 17 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.692 0.248 18507 9222 1 17 . 1 1 38 38 ASN C C 38 175.954 175.954 175.008 0.946 18507 9223 1 17 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.828 -0.547 18507 9224 1 17 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.808 -2.607 18507 9225 1 17 . 1 1 38 38 ASN H H 38 6.610 6.610 6.995 -0.385 18507 9226 1 17 . 1 1 39 39 ASN N N 39 117.264 117.264 118.296 -1.032 18507 9227 1 17 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.482 -0.172 18507 9228 1 17 . 1 1 39 39 ASN C C 39 173.171 173.171 174.821 -1.650 18507 9229 1 17 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.495 0.293 18507 9230 1 17 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.282 -0.288 18507 9231 1 17 . 1 1 39 39 ASN H H 39 7.822 7.822 7.739 0.083 18507 9232 1 17 . 1 1 40 40 TRP N N 40 113.463 113.463 113.030 0.433 18507 9233 1 17 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.185 -0.184 18507 9234 1 17 . 1 1 40 40 TRP C C 40 177.457 177.457 175.261 2.196 18507 9235 1 17 . 1 1 40 40 TRP CA C 40 57.585 57.585 58.244 -0.659 18507 9236 1 17 . 1 1 40 40 TRP CB C 40 24.787 24.787 25.895 -1.108 18507 9237 1 17 . 1 1 40 40 TRP H H 40 8.300 8.300 7.680 0.620 18507 9238 1 17 . 1 1 41 41 SER N N 41 113.321 113.321 112.211 1.110 18507 9239 1 17 . 1 1 41 41 SER HA H 41 4.216 4.216 4.579 -0.363 18507 9240 1 17 . 1 1 41 41 SER C C 41 174.913 174.913 174.462 0.451 18507 9241 1 17 . 1 1 41 41 SER CA C 41 60.460 60.460 59.260 1.200 18507 9242 1 17 . 1 1 41 41 SER CB C 41 64.591 64.591 65.337 -0.745 18507 9243 1 17 . 1 1 41 41 SER H H 41 7.549 7.549 8.385 -0.836 18507 9244 1 17 . 1 1 42 42 THR N N 42 112.097 112.097 115.056 -2.959 18507 9245 1 17 . 1 1 42 42 THR HA H 42 4.576 4.576 4.392 0.184 18507 9246 1 17 . 1 1 42 42 THR C C 42 174.798 174.798 172.320 2.478 18507 9247 1 17 . 1 1 42 42 THR CA C 42 59.920 59.920 62.066 -2.146 18507 9248 1 17 . 1 1 42 42 THR CB C 42 71.457 71.457 70.425 1.032 18507 9249 1 17 . 1 1 42 42 THR H H 42 7.088 7.088 8.048 -0.960 18507 9250 1 17 . 1 1 43 43 LYS N N 43 122.104 122.104 126.433 -4.329 18507 9251 1 17 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.929 -0.257 18507 9252 1 17 . 1 1 43 43 LYS C C 43 174.839 174.839 176.489 -1.650 18507 9253 1 17 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.660 0.633 18507 9254 1 17 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.621 -0.283 18507 9255 1 17 . 1 1 43 43 LYS H H 43 8.466 8.466 8.289 0.177 18507 9256 1 17 . 1 1 44 44 ILE N N 44 128.655 128.655 127.171 1.484 18507 9257 1 17 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.553 0.075 18507 9258 1 17 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.332 0.240 18507 9259 1 17 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.714 1.390 18507 9260 1 17 . 1 1 44 44 ILE H H 44 9.596 9.596 9.097 0.499 18507 9261 1 17 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.432 -0.127 18507 9262 1 17 . 1 1 45 45 PRO C C 45 174.315 174.315 176.121 -1.806 18507 9263 1 17 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.583 0.148 18507 9264 1 17 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.351 -0.105 18507 9265 1 17 . 1 1 46 46 LEU N N 46 122.198 122.198 125.245 -3.047 18507 9266 1 17 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.588 -0.075 18507 9267 1 17 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.898 1.655 18507 9268 1 17 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.874 -0.064 18507 9269 1 17 . 1 1 46 46 LEU H H 46 8.157 8.157 7.558 0.599 18507 9270 1 17 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.880 0.470 18507 9271 1 17 . 1 1 47 47 ILE C C 47 175.903 175.903 176.085 -0.182 18507 9272 1 17 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.096 -1.681 18507 9273 1 17 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.766 2.630 18507 9274 1 17 . 1 1 48 48 LYS N N 48 128.033 128.033 128.999 -0.966 18507 9275 1 17 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.826 0.080 18507 9276 1 17 . 1 1 48 48 LYS C C 48 176.252 176.252 175.616 0.636 18507 9277 1 17 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.996 -0.294 18507 9278 1 17 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.519 0.077 18507 9279 1 17 . 1 1 48 48 LYS H H 48 8.661 8.661 8.316 0.345 18507 9280 1 17 . 1 1 49 49 SER N N 49 122.194 122.194 118.763 3.431 18507 9281 1 17 . 1 1 49 49 SER HA H 49 4.367 4.367 4.663 -0.296 18507 9282 1 17 . 1 1 49 49 SER CA C 49 56.282 56.282 56.137 0.145 18507 9283 1 17 . 1 1 49 49 SER CB C 49 62.849 62.849 65.210 -2.361 18507 9284 1 17 . 1 1 49 49 SER H H 49 8.638 8.638 8.158 0.480 18507 9285 1 17 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.296 -0.254 18507 9286 1 17 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.169 -0.185 18507 9287 1 17 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.997 -2.100 18507 9288 1 17 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.647 0.068 18507 9289 1 17 . 1 1 51 51 ASN C C 51 174.091 174.091 174.216 -0.125 18507 9290 1 17 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.072 -0.296 18507 9291 1 17 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.239 -0.105 18507 9292 1 17 . 1 1 52 52 ASP N N 52 119.149 119.149 114.031 5.118 18507 9293 1 17 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.488 0.474 18507 9294 1 17 . 1 1 52 52 ASP C C 52 174.069 174.069 174.189 -0.120 18507 9295 1 17 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.364 0.180 18507 9296 1 17 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.242 1.314 18507 9297 1 17 . 1 1 52 52 ASP H H 52 8.031 8.031 7.462 0.569 18507 9298 1 17 . 1 1 53 53 PHE N N 53 118.169 118.169 117.425 0.744 18507 9299 1 17 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.806 0.344 18507 9300 1 17 . 1 1 53 53 PHE C C 53 175.583 175.583 176.022 -0.439 18507 9301 1 17 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.603 -1.231 18507 9302 1 17 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.413 1.478 18507 9303 1 17 . 1 1 53 53 PHE H H 53 8.534 8.534 8.737 -0.203 18507 9304 1 17 . 1 1 54 54 VAL N N 54 118.983 118.983 114.334 4.649 18507 9305 1 17 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.797 0.528 18507 9306 1 17 . 1 1 54 54 VAL CA C 54 60.134 60.134 59.756 0.378 18507 9307 1 17 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.247 0.502 18507 9308 1 17 . 1 1 54 54 VAL H H 54 9.324 9.324 8.124 1.200 18507 9309 1 17 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.861 -0.154 18507 9310 1 17 . 1 1 55 55 ALA C C 55 174.786 174.786 175.571 -0.785 18507 9311 1 17 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.629 0.258 18507 9312 1 17 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.406 -0.718 18507 9313 1 17 . 1 1 56 56 ILE N N 56 120.457 120.457 120.346 0.111 18507 9314 1 17 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.351 0.201 18507 9315 1 17 . 1 1 56 56 ILE C C 56 175.419 175.419 174.344 1.075 18507 9316 1 17 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.686 1.236 18507 9317 1 17 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.209 0.282 18507 9318 1 17 . 1 1 56 56 ILE H H 56 8.239 8.239 8.343 -0.104 18507 9319 1 17 . 1 1 57 57 LEU N N 57 127.392 127.392 123.597 3.795 18507 9320 1 17 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.678 -0.172 18507 9321 1 17 . 1 1 57 57 LEU C C 57 175.108 175.108 175.186 -0.078 18507 9322 1 17 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.712 0.031 18507 9323 1 17 . 1 1 57 57 LEU CB C 57 45.170 45.170 46.002 -0.832 18507 9324 1 17 . 1 1 57 57 LEU H H 57 8.828 8.828 7.903 0.925 18507 9325 1 17 . 1 1 58 58 ASP N N 58 124.255 124.255 120.720 3.535 18507 9326 1 17 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.734 -0.106 18507 9327 1 17 . 1 1 58 58 ASP C C 58 175.066 175.066 175.646 -0.580 18507 9328 1 17 . 1 1 58 58 ASP CA C 58 52.941 52.941 53.972 -1.031 18507 9329 1 17 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.610 -0.903 18507 9330 1 17 . 1 1 58 58 ASP H H 58 8.571 8.571 8.350 0.221 18507 9331 1 17 . 1 1 59 59 LEU N N 59 124.092 124.092 125.092 -1.000 18507 9332 1 17 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.767 -0.232 18507 9333 1 17 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.208 -0.335 18507 9334 1 17 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.153 -0.119 18507 9335 1 17 . 1 1 59 59 LEU H H 59 7.681 7.681 7.834 -0.153 18507 9336 1 17 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.493 0.108 18507 9337 1 17 . 1 1 60 60 PRO C C 60 175.599 175.599 176.100 -0.501 18507 9338 1 17 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.056 -0.574 18507 9339 1 17 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.645 0.022 18507 9340 1 17 . 1 1 61 61 GLU N N 61 119.164 119.164 121.810 -2.646 18507 9341 1 17 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.953 -0.094 18507 9342 1 17 . 1 1 61 61 GLU C C 61 176.121 176.121 176.088 0.033 18507 9343 1 17 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.742 -0.284 18507 9344 1 17 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.439 0.809 18507 9345 1 17 . 1 1 61 61 GLU H H 61 8.500 8.500 8.588 -0.088 18507 9346 1 17 . 1 1 62 62 GLY N N 62 111.529 111.529 115.158 -3.629 18507 9347 1 17 . 1 1 62 62 GLY C C 62 171.313 171.313 171.729 -0.416 18507 9348 1 17 . 1 1 62 62 GLY CA C 62 43.469 43.469 44.937 -1.468 18507 9349 1 17 . 1 1 62 62 GLY H H 62 8.845 8.845 8.663 0.182 18507 9350 1 17 . 1 1 63 63 GLU N N 63 119.100 119.100 122.308 -3.208 18507 9351 1 17 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.558 0.224 18507 9352 1 17 . 1 1 63 63 GLU C C 63 175.530 175.530 173.941 1.589 18507 9353 1 17 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.575 0.403 18507 9354 1 17 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.062 -0.679 18507 9355 1 17 . 1 1 63 63 GLU H H 63 8.015 8.015 8.135 -0.120 18507 9356 1 17 . 1 1 64 64 HIS N N 64 121.786 121.786 120.819 0.967 18507 9357 1 17 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.066 -0.249 18507 9358 1 17 . 1 1 64 64 HIS C C 64 174.358 174.358 173.422 0.936 18507 9359 1 17 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.668 0.302 18507 9360 1 17 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.201 0.908 18507 9361 1 17 . 1 1 64 64 HIS H H 64 8.830 8.830 8.835 -0.005 18507 9362 1 17 . 1 1 65 65 GLN N N 65 121.667 121.667 118.941 2.726 18507 9363 1 17 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.993 0.768 18507 9364 1 17 . 1 1 65 65 GLN C C 65 175.833 175.833 174.726 1.107 18507 9365 1 17 . 1 1 65 65 GLN CA C 65 53.833 53.833 54.953 -1.120 18507 9366 1 17 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.930 0.335 18507 9367 1 17 . 1 1 65 65 GLN H H 65 8.637 8.637 8.995 -0.358 18507 9368 1 17 . 1 1 66 66 TYR N N 66 116.908 116.908 120.532 -3.624 18507 9369 1 17 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.425 -0.250 18507 9370 1 17 . 1 1 66 66 TYR C C 66 171.751 171.751 174.003 -2.252 18507 9371 1 17 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.673 2.310 18507 9372 1 17 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.561 -0.831 18507 9373 1 17 . 1 1 66 66 TYR H H 66 8.894 8.894 7.743 1.151 18507 9374 1 17 . 1 1 67 67 LYS N N 67 118.307 118.307 118.035 0.272 18507 9375 1 17 . 1 1 67 67 LYS HA H 67 4.633 4.633 5.019 -0.386 18507 9376 1 17 . 1 1 67 67 LYS C C 67 173.317 173.317 175.031 -1.714 18507 9377 1 17 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.867 2.009 18507 9378 1 17 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.920 0.280 18507 9379 1 17 . 1 1 67 67 LYS H H 67 8.927 8.927 8.344 0.583 18507 9380 1 17 . 1 1 68 68 PHE N N 68 118.691 118.691 122.476 -3.785 18507 9381 1 17 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.186 0.345 18507 9382 1 17 . 1 1 68 68 PHE C C 68 173.861 173.861 175.252 -1.391 18507 9383 1 17 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.343 0.605 18507 9384 1 17 . 1 1 68 68 PHE CB C 68 41.272 41.272 40.978 0.294 18507 9385 1 17 . 1 1 68 68 PHE H H 68 8.436 8.436 8.334 0.102 18507 9386 1 17 . 1 1 69 69 PHE N N 69 125.718 125.718 124.753 0.965 18507 9387 1 17 . 1 1 69 69 PHE HA H 69 4.723 4.723 5.040 -0.317 18507 9388 1 17 . 1 1 69 69 PHE C C 69 174.574 174.574 173.259 1.315 18507 9389 1 17 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.426 -0.590 18507 9390 1 17 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.392 -0.236 18507 9391 1 17 . 1 1 69 69 PHE H H 69 9.000 9.000 8.860 0.140 18507 9392 1 17 . 1 1 70 70 VAL N N 70 126.808 126.808 125.686 1.122 18507 9393 1 17 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.704 -0.381 18507 9394 1 17 . 1 1 70 70 VAL C C 70 175.641 175.641 175.536 0.105 18507 9395 1 17 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.090 1.418 18507 9396 1 17 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.508 -1.038 18507 9397 1 17 . 1 1 70 70 VAL H H 70 8.688 8.688 7.677 1.011 18507 9398 1 17 . 1 1 71 71 ASP N N 71 128.747 128.747 126.159 2.588 18507 9399 1 17 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.168 0.067 18507 9400 1 17 . 1 1 71 71 ASP C C 71 176.119 176.119 176.217 -0.098 18507 9401 1 17 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.692 0.957 18507 9402 1 17 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.146 -0.517 18507 9403 1 17 . 1 1 71 71 ASP H H 71 8.890 8.890 9.072 -0.182 18507 9404 1 17 . 1 1 72 72 GLY N N 72 100.856 100.856 104.116 -3.260 18507 9405 1 17 . 1 1 72 72 GLY C C 72 173.149 173.149 173.355 -0.206 18507 9406 1 17 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.341 -0.086 18507 9407 1 17 . 1 1 72 72 GLY H H 72 7.437 7.437 8.442 -1.005 18507 9408 1 17 . 1 1 73 73 GLN N N 73 117.716 117.716 114.363 3.353 18507 9409 1 17 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.397 0.083 18507 9410 1 17 . 1 1 73 73 GLN C C 73 173.981 173.981 173.111 0.870 18507 9411 1 17 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.108 0.177 18507 9412 1 17 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.598 1.312 18507 9413 1 17 . 1 1 73 73 GLN H H 73 6.923 6.923 6.590 0.333 18507 9414 1 17 . 1 1 74 74 TRP N N 74 123.738 123.738 120.935 2.803 18507 9415 1 17 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.177 0.636 18507 9416 1 17 . 1 1 74 74 TRP C C 74 177.239 177.239 176.881 0.358 18507 9417 1 17 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.157 -0.369 18507 9418 1 17 . 1 1 74 74 TRP CB C 74 29.918 29.918 30.211 -0.293 18507 9419 1 17 . 1 1 74 74 TRP H H 74 8.836 8.836 8.631 0.205 18507 9420 1 17 . 1 1 75 75 VAL N N 75 121.900 121.900 121.093 0.807 18507 9421 1 17 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.787 0.199 18507 9422 1 17 . 1 1 75 75 VAL C C 75 172.903 172.903 173.798 -0.895 18507 9423 1 17 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.178 1.447 18507 9424 1 17 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.846 0.808 18507 9425 1 17 . 1 1 75 75 VAL H H 75 10.049 10.049 8.827 1.222 18507 9426 1 17 . 1 1 76 76 HIS N N 76 119.400 119.400 116.987 2.413 18507 9427 1 17 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.243 0.335 18507 9428 1 17 . 1 1 76 76 HIS C C 76 173.084 173.084 173.733 -0.649 18507 9429 1 17 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.244 0.016 18507 9430 1 17 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.688 0.119 18507 9431 1 17 . 1 1 76 76 HIS H H 76 7.758 7.758 8.151 -0.393 18507 9432 1 17 . 1 1 77 77 ASP N N 77 121.057 121.057 122.424 -1.367 18507 9433 1 17 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.085 0.019 18507 9434 1 17 . 1 1 77 77 ASP CA C 77 50.464 50.464 51.033 -0.569 18507 9435 1 17 . 1 1 77 77 ASP CB C 77 42.269 42.269 41.487 0.782 18507 9436 1 17 . 1 1 77 77 ASP H H 77 10.717 10.717 9.233 1.484 18507 9437 1 17 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.550 -0.015 18507 9438 1 17 . 1 1 78 78 PRO C C 78 177.387 177.387 177.459 -0.072 18507 9439 1 17 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.268 -0.671 18507 9440 1 17 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.169 0.157 18507 9441 1 17 . 1 1 79 79 SER N N 79 116.058 116.058 113.256 2.802 18507 9442 1 17 . 1 1 79 79 SER HA H 79 4.477 4.477 4.485 -0.008 18507 9443 1 17 . 1 1 79 79 SER C C 79 173.819 173.819 174.581 -0.762 18507 9444 1 17 . 1 1 79 79 SER CA C 79 59.369 59.369 58.796 0.573 18507 9445 1 17 . 1 1 79 79 SER CB C 79 63.875 63.875 63.480 0.395 18507 9446 1 17 . 1 1 79 79 SER H H 79 8.853 8.853 8.413 0.440 18507 9447 1 17 . 1 1 80 80 GLU N N 80 122.620 122.620 120.872 1.748 18507 9448 1 17 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.722 0.237 18507 9449 1 17 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.379 0.022 18507 9450 1 17 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.619 0.002 18507 9451 1 17 . 1 1 80 80 GLU H H 80 7.332 7.332 7.670 -0.338 18507 9452 1 17 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.444 -0.005 18507 9453 1 17 . 1 1 81 81 PRO C C 81 177.020 177.020 175.363 1.657 18507 9454 1 17 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.022 0.674 18507 9455 1 17 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.476 -2.257 18507 9456 1 17 . 1 1 82 82 VAL N N 82 114.720 114.720 119.727 -5.007 18507 9457 1 17 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.942 0.525 18507 9458 1 17 . 1 1 82 82 VAL C C 82 175.787 175.787 175.195 0.592 18507 9459 1 17 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.684 -1.085 18507 9460 1 17 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.433 3.325 18507 9461 1 17 . 1 1 82 82 VAL H H 82 8.221 8.221 7.783 0.438 18507 9462 1 17 . 1 1 83 83 VAL N N 83 117.999 117.999 124.908 -6.909 18507 9463 1 17 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.529 -0.119 18507 9464 1 17 . 1 1 83 83 VAL C C 83 173.384 173.384 174.462 -1.078 18507 9465 1 17 . 1 1 83 83 VAL CA C 83 59.533 59.533 59.551 -0.018 18507 9466 1 17 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.536 -1.231 18507 9467 1 17 . 1 1 83 83 VAL H H 83 8.898 8.898 9.072 -0.174 18507 9468 1 17 . 1 1 84 84 THR N N 84 120.469 120.469 122.876 -2.407 18507 9469 1 17 . 1 1 84 84 THR HA H 84 4.751 4.751 4.388 0.363 18507 9470 1 17 . 1 1 84 84 THR C C 84 174.975 174.975 174.141 0.834 18507 9471 1 17 . 1 1 84 84 THR CA C 84 61.446 61.446 63.308 -1.862 18507 9472 1 17 . 1 1 84 84 THR CB C 84 68.959 68.959 68.951 0.008 18507 9473 1 17 . 1 1 84 84 THR H H 84 8.309 8.309 8.352 -0.043 18507 9474 1 17 . 1 1 85 85 SER N N 85 123.544 123.544 122.072 1.472 18507 9475 1 17 . 1 1 85 85 SER HA H 85 4.533 4.533 4.355 0.178 18507 9476 1 17 . 1 1 85 85 SER CA C 85 57.027 57.027 57.465 -0.438 18507 9477 1 17 . 1 1 85 85 SER CB C 85 65.264 65.264 64.713 0.551 18507 9478 1 17 . 1 1 85 85 SER H H 85 9.137 9.137 8.106 1.031 18507 9479 1 17 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.193 -0.101 18507 9480 1 17 . 1 1 86 86 GLN C C 86 176.451 176.451 176.782 -0.331 18507 9481 1 17 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.128 -0.058 18507 9482 1 17 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.503 -0.368 18507 9483 1 17 . 1 1 87 87 LEU N N 87 117.032 117.032 118.060 -1.028 18507 9484 1 17 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.493 -0.234 18507 9485 1 17 . 1 1 87 87 LEU C C 87 177.470 177.470 177.543 -0.073 18507 9486 1 17 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.044 0.606 18507 9487 1 17 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.683 0.993 18507 9488 1 17 . 1 1 87 87 LEU H H 87 7.692 7.692 7.617 0.075 18507 9489 1 17 . 1 1 88 88 GLY N N 88 107.770 107.770 107.545 0.225 18507 9490 1 17 . 1 1 88 88 GLY C C 88 174.029 174.029 175.123 -1.094 18507 9491 1 17 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.841 -0.579 18507 9492 1 17 . 1 1 88 88 GLY H H 88 7.932 7.932 7.500 0.432 18507 9493 1 17 . 1 1 89 89 THR N N 89 112.596 112.596 114.587 -1.991 18507 9494 1 17 . 1 1 89 89 THR HA H 89 4.259 4.259 4.349 -0.090 18507 9495 1 17 . 1 1 89 89 THR C C 89 172.837 172.837 174.775 -1.938 18507 9496 1 17 . 1 1 89 89 THR CA C 89 60.743 60.743 61.462 -0.719 18507 9497 1 17 . 1 1 89 89 THR CB C 89 69.845 69.845 68.823 1.022 18507 9498 1 17 . 1 1 89 89 THR H H 89 7.148 7.148 7.372 -0.224 18507 9499 1 17 . 1 1 90 90 ILE N N 90 123.927 123.927 128.712 -4.785 18507 9500 1 17 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.121 0.289 18507 9501 1 17 . 1 1 90 90 ILE C C 90 175.007 175.007 175.114 -0.107 18507 9502 1 17 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.877 -0.326 18507 9503 1 17 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.327 2.608 18507 9504 1 17 . 1 1 90 90 ILE H H 90 8.514 8.514 8.589 -0.075 18507 9505 1 17 . 1 1 91 91 ASN N N 91 123.450 123.450 124.032 -0.582 18507 9506 1 17 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.962 0.325 18507 9507 1 17 . 1 1 91 91 ASN C C 91 175.916 175.916 173.758 2.158 18507 9508 1 17 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.442 -0.466 18507 9509 1 17 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.266 0.910 18507 9510 1 17 . 1 1 91 91 ASN H H 91 8.497 8.497 8.886 -0.389 18507 9511 1 17 . 1 1 92 92 ASN N N 92 115.675 115.675 117.691 -2.016 18507 9512 1 17 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.779 0.832 18507 9513 1 17 . 1 1 92 92 ASN C C 92 173.765 173.765 174.388 -0.623 18507 9514 1 17 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.653 1.159 18507 9515 1 17 . 1 1 92 92 ASN CB C 92 41.743 41.743 38.738 3.005 18507 9516 1 17 . 1 1 92 92 ASN H H 92 8.721 8.721 8.385 0.336 18507 9517 1 17 . 1 1 93 93 LEU N N 93 120.001 120.001 120.268 -0.267 18507 9518 1 17 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.701 0.636 18507 9519 1 17 . 1 1 93 93 LEU C C 93 175.864 175.864 175.132 0.732 18507 9520 1 17 . 1 1 93 93 LEU CA C 93 53.522 53.522 53.567 -0.045 18507 9521 1 17 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.754 1.369 18507 9522 1 17 . 1 1 93 93 LEU H H 93 7.661 7.661 8.152 -0.491 18507 9523 1 17 . 1 1 94 94 ILE N N 94 124.682 124.682 123.035 1.647 18507 9524 1 17 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.754 0.093 18507 9525 1 17 . 1 1 94 94 ILE C C 94 172.078 172.078 173.266 -1.188 18507 9526 1 17 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.752 -1.401 18507 9527 1 17 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.290 -0.199 18507 9528 1 17 . 1 1 94 94 ILE H H 94 9.282 9.282 9.246 0.036 18507 9529 1 17 . 1 1 95 95 HIS N N 95 126.782 126.782 126.560 0.222 18507 9530 1 17 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.126 -0.016 18507 9531 1 17 . 1 1 95 95 HIS C C 95 174.655 174.655 174.166 0.489 18507 9532 1 17 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.956 -0.622 18507 9533 1 17 . 1 1 95 95 HIS CB C 95 31.399 31.399 31.635 -0.236 18507 9534 1 17 . 1 1 95 95 HIS H H 95 8.690 8.690 8.715 -0.025 18507 9535 1 17 . 1 1 96 96 VAL N N 96 128.616 128.616 124.404 4.212 18507 9536 1 17 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.324 -0.209 18507 9537 1 17 . 1 1 96 96 VAL C C 96 175.515 175.515 175.623 -0.108 18507 9538 1 17 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.685 0.817 18507 9539 1 17 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.462 -1.130 18507 9540 1 17 . 1 1 96 96 VAL H H 96 9.082 9.082 8.808 0.274 18507 9541 1 17 . 1 1 97 97 LYS N N 97 128.692 128.692 125.922 2.770 18507 9542 1 17 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.526 0.024 18507 9543 1 17 . 1 1 97 97 LYS C C 97 176.019 176.019 175.950 0.069 18507 9544 1 17 . 1 1 97 97 LYS CA C 97 55.091 55.091 55.005 0.086 18507 9545 1 17 . 1 1 97 97 LYS CB C 97 34.588 34.588 33.981 0.607 18507 9546 1 17 . 1 1 97 97 LYS H H 97 8.708 8.708 8.537 0.171 18507 9547 1 17 . 1 1 98 98 LYS N N 98 122.635 122.635 119.067 3.568 18507 9548 1 17 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.399 -0.277 18507 9549 1 17 . 1 1 98 98 LYS C C 98 176.947 176.947 176.371 0.576 18507 9550 1 17 . 1 1 98 98 LYS CA C 98 57.232 57.232 56.215 1.017 18507 9551 1 17 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.086 -0.236 18507 9552 1 17 . 1 1 98 98 LYS H H 98 8.717 8.717 8.236 0.481 18507 9553 1 17 . 1 1 99 99 SER N N 99 116.737 116.737 114.432 2.305 18507 9554 1 17 . 1 1 99 99 SER HA H 99 4.357 4.357 4.700 -0.343 18507 9555 1 17 . 1 1 99 99 SER C C 99 174.335 174.335 173.859 0.476 18507 9556 1 17 . 1 1 99 99 SER CA C 99 58.240 58.240 58.379 -0.139 18507 9557 1 17 . 1 1 99 99 SER CB C 99 63.664 63.664 63.974 -0.310 18507 9558 1 17 . 1 1 99 99 SER H H 99 8.393 8.393 8.541 -0.148 18507 9559 1 17 . 1 1 100 100 ASP N N 100 122.287 122.287 121.609 0.678 18507 9560 1 17 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.720 -0.194 18507 9561 1 17 . 1 1 100 100 ASP C C 100 175.823 175.823 176.613 -0.790 18507 9562 1 17 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.268 0.545 18507 9563 1 17 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.189 -0.251 18507 9564 1 17 . 1 1 100 100 ASP H H 100 8.288 8.288 8.234 0.054 18507 9565 1 17 . 1 1 101 101 PHE N N 101 118.668 118.668 119.799 -1.131 18507 9566 1 17 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.294 0.281 18507 9567 1 17 . 1 1 101 101 PHE C C 101 175.279 175.279 176.849 -1.570 18507 9568 1 17 . 1 1 101 101 PHE CA C 101 57.462 57.462 60.414 -2.952 18507 9569 1 17 . 1 1 101 101 PHE CB C 101 39.557 39.557 39.559 -0.002 18507 9570 1 17 . 1 1 101 101 PHE H H 101 7.923 7.923 7.953 -0.030 18507 9571 1 17 . 1 1 102 102 GLU N N 102 122.081 122.081 119.357 2.724 18507 9572 1 17 . 1 1 102 102 GLU HA H 102 4.180 4.180 4.226 -0.046 18507 9573 1 17 . 1 1 102 102 GLU C C 102 175.388 175.388 176.637 -1.249 18507 9574 1 17 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.886 -1.578 18507 9575 1 17 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.884 0.701 18507 9576 1 17 . 1 1 102 102 GLU H H 102 8.138 8.138 8.788 -0.650 18507 9577 1 17 . 1 1 103 103 VAL N N 103 120.545 120.545 119.694 0.851 18507 9578 1 17 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.993 0.031 18507 9579 1 17 . 1 1 103 103 VAL C C 103 175.359 175.359 175.515 -0.156 18507 9580 1 17 . 1 1 103 103 VAL CA C 103 61.673 61.673 62.219 -0.546 18507 9581 1 17 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.201 0.897 18507 9582 1 17 . 1 1 103 103 VAL H H 103 7.934 7.934 7.655 0.279 18507 9583 1 17 . 1 1 104 104 PHE N N 104 124.359 124.359 122.570 1.789 18507 9584 1 17 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.810 -0.115 18507 9585 1 17 . 1 1 104 104 PHE C C 104 174.530 174.530 175.912 -1.382 18507 9586 1 17 . 1 1 104 104 PHE CA C 104 57.140 57.140 57.561 -0.421 18507 9587 1 17 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.939 0.025 18507 9588 1 17 . 1 1 104 104 PHE H H 104 8.340 8.340 8.184 0.156 18507 9589 1 18 . 1 1 2 2 ALA N N 2 129.609 129.609 123.104 6.505 18507 9590 1 18 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.181 0.155 18507 9591 1 18 . 1 1 2 2 ALA C C 2 177.730 177.730 176.928 0.802 18507 9592 1 18 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.582 0.008 18507 9593 1 18 . 1 1 2 2 ALA CB C 2 19.509 19.509 18.511 0.998 18507 9594 1 18 . 1 1 2 2 ALA H H 2 8.252 8.252 8.067 0.185 18507 9595 1 18 . 1 1 3 3 MET N N 3 119.597 119.597 119.142 0.455 18507 9596 1 18 . 1 1 3 3 MET HA H 3 4.457 4.457 4.561 -0.104 18507 9597 1 18 . 1 1 3 3 MET C C 3 176.640 176.640 176.345 0.295 18507 9598 1 18 . 1 1 3 3 MET CA C 3 55.433 55.433 54.956 0.477 18507 9599 1 18 . 1 1 3 3 MET CB C 3 32.141 32.141 31.652 0.489 18507 9600 1 18 . 1 1 3 3 MET H H 3 8.526 8.526 8.075 0.451 18507 9601 1 18 . 1 1 4 4 GLY N N 4 110.104 110.104 114.188 -4.084 18507 9602 1 18 . 1 1 4 4 GLY C C 4 173.846 173.846 174.275 -0.429 18507 9603 1 18 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.870 0.419 18507 9604 1 18 . 1 1 4 4 GLY H H 4 8.388 8.388 8.464 -0.076 18507 9605 1 18 . 1 1 5 5 ILE N N 5 120.177 120.177 120.615 -0.438 18507 9606 1 18 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.315 -0.173 18507 9607 1 18 . 1 1 5 5 ILE C C 5 176.245 176.245 176.164 0.081 18507 9608 1 18 . 1 1 5 5 ILE CA C 5 60.706 60.706 61.001 -0.295 18507 9609 1 18 . 1 1 5 5 ILE CB C 5 38.686 38.686 38.805 -0.119 18507 9610 1 18 . 1 1 5 5 ILE H H 5 7.995 7.995 7.988 0.007 18507 9611 1 18 . 1 1 6 6 ARG N N 6 125.295 125.295 125.309 -0.014 18507 9612 1 18 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.548 -0.201 18507 9613 1 18 . 1 1 6 6 ARG C C 6 174.908 174.908 175.697 -0.789 18507 9614 1 18 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.072 0.740 18507 9615 1 18 . 1 1 6 6 ARG CB C 6 30.829 30.829 31.637 -0.808 18507 9616 1 18 . 1 1 6 6 ARG H H 6 8.451 8.451 8.444 0.007 18507 9617 1 18 . 1 1 7 7 ASN N N 7 125.979 125.979 120.033 5.946 18507 9618 1 18 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.699 -0.216 18507 9619 1 18 . 1 1 7 7 ASN C C 7 175.993 175.993 175.006 0.987 18507 9620 1 18 . 1 1 7 7 ASN CA C 7 54.699 54.699 53.377 1.322 18507 9621 1 18 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.036 1.708 18507 9622 1 18 . 1 1 7 7 ASN H H 7 8.072 8.072 8.413 -0.341 18507 9623 1 18 . 1 1 8 8 SER N N 8 120.939 120.939 119.752 1.187 18507 9624 1 18 . 1 1 8 8 SER C C 8 174.402 174.402 174.142 0.260 18507 9625 1 18 . 1 1 8 8 SER CA C 8 58.678 58.678 57.823 0.855 18507 9626 1 18 . 1 1 8 8 SER CB C 8 63.735 63.735 64.958 -1.223 18507 9627 1 18 . 1 1 8 8 SER H H 8 8.363 8.363 8.462 -0.099 18507 9628 1 18 . 1 1 9 9 ASP N N 9 122.169 122.169 120.582 1.587 18507 9629 1 18 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.665 -0.053 18507 9630 1 18 . 1 1 9 9 ASP C C 9 176.302 176.302 176.531 -0.229 18507 9631 1 18 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.775 -0.108 18507 9632 1 18 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.387 -0.295 18507 9633 1 18 . 1 1 9 9 ASP H H 9 8.334 8.334 8.490 -0.156 18507 9634 1 18 . 1 1 10 10 SER N N 10 115.330 115.330 114.122 1.208 18507 9635 1 18 . 1 1 10 10 SER HA H 10 4.408 4.408 4.593 -0.185 18507 9636 1 18 . 1 1 10 10 SER C C 10 174.338 174.338 172.712 1.626 18507 9637 1 18 . 1 1 10 10 SER CA C 10 58.421 58.421 58.248 0.173 18507 9638 1 18 . 1 1 10 10 SER CB C 10 63.749 63.749 64.767 -1.018 18507 9639 1 18 . 1 1 10 10 SER H H 10 8.130 8.130 7.941 0.189 18507 9640 1 18 . 1 1 11 11 VAL N N 11 121.719 121.719 121.870 -0.151 18507 9641 1 18 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.126 -0.038 18507 9642 1 18 . 1 1 11 11 VAL C C 11 175.837 175.837 173.984 1.853 18507 9643 1 18 . 1 1 11 11 VAL CA C 11 61.972 61.972 62.768 -0.796 18507 9644 1 18 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.665 -1.157 18507 9645 1 18 . 1 1 11 11 VAL H H 11 8.040 8.040 8.151 -0.111 18507 9646 1 18 . 1 1 12 12 LYS N N 12 126.544 126.544 126.064 0.480 18507 9647 1 18 . 1 1 12 12 LYS H H 12 8.349 8.349 8.379 -0.030 18507 9648 1 18 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.409 0.050 18507 9649 1 18 . 1 1 13 13 PRO C C 13 177.038 177.038 176.810 0.228 18507 9650 1 18 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.364 -0.496 18507 9651 1 18 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.835 0.347 18507 9652 1 18 . 1 1 14 14 THR N N 14 114.515 114.515 115.509 -0.994 18507 9653 1 18 . 1 1 14 14 THR HA H 14 4.255 4.255 4.156 0.099 18507 9654 1 18 . 1 1 14 14 THR C C 14 174.477 174.477 174.987 -0.510 18507 9655 1 18 . 1 1 14 14 THR CA C 14 61.813 61.813 62.833 -1.020 18507 9656 1 18 . 1 1 14 14 THR CB C 14 69.675 69.675 69.400 0.275 18507 9657 1 18 . 1 1 14 14 THR H H 14 8.234 8.234 7.713 0.521 18507 9658 1 18 . 1 1 15 15 GLN N N 15 122.586 122.586 120.904 1.682 18507 9659 1 18 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.129 0.217 18507 9660 1 18 . 1 1 15 15 GLN C C 15 175.452 175.452 175.975 -0.523 18507 9661 1 18 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.822 -1.260 18507 9662 1 18 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.515 0.020 18507 9663 1 18 . 1 1 15 15 GLN H H 15 8.380 8.380 8.400 -0.020 18507 9664 1 18 . 1 1 16 16 GLN N N 16 122.137 122.137 119.459 2.678 18507 9665 1 18 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.475 -0.215 18507 9666 1 18 . 1 1 16 16 GLN C C 16 175.050 175.050 174.574 0.476 18507 9667 1 18 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.232 0.310 18507 9668 1 18 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.464 0.262 18507 9669 1 18 . 1 1 16 16 GLN H H 16 8.457 8.457 8.524 -0.067 18507 9670 1 18 . 1 1 17 17 ALA N N 17 125.292 125.292 123.435 1.857 18507 9671 1 18 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.463 -0.152 18507 9672 1 18 . 1 1 17 17 ALA C C 17 176.628 176.628 175.877 0.751 18507 9673 1 18 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.777 -0.065 18507 9674 1 18 . 1 1 17 17 ALA CB C 17 19.967 19.967 21.031 -1.064 18507 9675 1 18 . 1 1 17 17 ALA H H 17 8.323 8.323 8.322 0.001 18507 9676 1 18 . 1 1 18 18 ARG N N 18 122.106 122.106 120.494 1.612 18507 9677 1 18 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.706 -0.085 18507 9678 1 18 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.457 -0.231 18507 9679 1 18 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.733 0.042 18507 9680 1 18 . 1 1 18 18 ARG H H 18 8.591 8.591 8.655 -0.064 18507 9681 1 18 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.471 0.113 18507 9682 1 18 . 1 1 19 19 PRO C C 19 176.098 176.098 176.228 -0.130 18507 9683 1 18 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.543 0.418 18507 9684 1 18 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.343 -0.198 18507 9685 1 18 . 1 1 20 20 THR N N 20 121.694 121.694 113.656 8.038 18507 9686 1 18 . 1 1 20 20 THR HA H 20 4.228 4.228 4.363 -0.135 18507 9687 1 18 . 1 1 20 20 THR C C 20 172.413 172.413 174.540 -2.127 18507 9688 1 18 . 1 1 20 20 THR CA C 20 62.891 62.891 59.976 2.915 18507 9689 1 18 . 1 1 20 20 THR CB C 20 71.036 71.036 69.852 1.184 18507 9690 1 18 . 1 1 20 20 THR H H 20 9.046 9.046 8.137 0.909 18507 9691 1 18 . 1 1 21 21 VAL N N 21 127.141 127.141 125.714 1.427 18507 9692 1 18 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.206 0.341 18507 9693 1 18 . 1 1 21 21 VAL C C 21 175.345 175.345 174.443 0.902 18507 9694 1 18 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.118 -0.338 18507 9695 1 18 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.960 0.299 18507 9696 1 18 . 1 1 21 21 VAL H H 21 8.572 8.572 8.368 0.204 18507 9697 1 18 . 1 1 22 22 ILE N N 22 130.341 130.341 126.167 4.174 18507 9698 1 18 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.594 -0.301 18507 9699 1 18 . 1 1 22 22 ILE C C 22 173.794 173.794 174.430 -0.636 18507 9700 1 18 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.086 -0.635 18507 9701 1 18 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.529 -2.865 18507 9702 1 18 . 1 1 22 22 ILE H H 22 8.913 8.913 8.169 0.744 18507 9703 1 18 . 1 1 23 23 ARG N N 23 125.596 125.596 125.254 0.342 18507 9704 1 18 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.107 0.402 18507 9705 1 18 . 1 1 23 23 ARG C C 23 174.125 174.125 174.536 -0.411 18507 9706 1 18 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.019 -1.014 18507 9707 1 18 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.920 2.664 18507 9708 1 18 . 1 1 23 23 ARG H H 23 8.595 8.595 8.678 -0.083 18507 9709 1 18 . 1 1 24 24 TRP N N 24 123.124 123.124 128.111 -4.987 18507 9710 1 18 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.936 -0.149 18507 9711 1 18 . 1 1 24 24 TRP C C 24 177.208 177.208 173.784 3.424 18507 9712 1 18 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.414 -0.440 18507 9713 1 18 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.378 0.029 18507 9714 1 18 . 1 1 24 24 TRP H H 24 9.098 9.098 9.125 -0.027 18507 9715 1 18 . 1 1 25 25 SER N N 25 123.623 123.623 121.604 2.019 18507 9716 1 18 . 1 1 25 25 SER HA H 25 4.827 4.827 4.679 0.148 18507 9717 1 18 . 1 1 25 25 SER CA C 25 58.442 58.442 57.142 1.300 18507 9718 1 18 . 1 1 25 25 SER CB C 25 63.993 63.993 64.342 -0.349 18507 9719 1 18 . 1 1 25 25 SER H H 25 8.837 8.837 8.135 0.702 18507 9720 1 18 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.436 -0.295 18507 9721 1 18 . 1 1 26 26 GLU C C 26 175.915 175.915 176.348 -0.433 18507 9722 1 18 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.626 -1.362 18507 9723 1 18 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.464 -1.180 18507 9724 1 18 . 1 1 27 27 GLY N N 27 109.186 109.186 107.603 1.583 18507 9725 1 18 . 1 1 27 27 GLY C C 27 173.380 173.380 174.759 -1.379 18507 9726 1 18 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.187 -0.555 18507 9727 1 18 . 1 1 27 27 GLY H H 27 8.434 8.434 8.688 -0.254 18507 9728 1 18 . 1 1 28 28 GLY N N 28 106.478 106.478 108.174 -1.696 18507 9729 1 18 . 1 1 28 28 GLY C C 28 172.572 172.572 174.409 -1.837 18507 9730 1 18 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.142 -0.445 18507 9731 1 18 . 1 1 28 28 GLY H H 28 7.948 7.948 7.917 0.031 18507 9732 1 18 . 1 1 29 29 LYS N N 29 120.742 120.742 118.304 2.438 18507 9733 1 18 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.491 0.124 18507 9734 1 18 . 1 1 29 29 LYS C C 29 177.173 177.173 176.307 0.866 18507 9735 1 18 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.766 1.185 18507 9736 1 18 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.392 0.443 18507 9737 1 18 . 1 1 29 29 LYS H H 29 10.077 10.077 8.418 1.659 18507 9738 1 18 . 1 1 30 30 GLU N N 30 121.578 121.578 118.464 3.114 18507 9739 1 18 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.378 -0.181 18507 9740 1 18 . 1 1 30 30 GLU C C 30 173.541 173.541 173.808 -0.267 18507 9741 1 18 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.450 0.530 18507 9742 1 18 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.910 0.563 18507 9743 1 18 . 1 1 30 30 GLU H H 30 8.810 8.810 7.867 0.943 18507 9744 1 18 . 1 1 31 31 VAL N N 31 124.182 124.182 122.240 1.942 18507 9745 1 18 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.689 -0.149 18507 9746 1 18 . 1 1 31 31 VAL C C 31 173.552 173.552 174.091 -0.539 18507 9747 1 18 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.485 0.750 18507 9748 1 18 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.119 2.142 18507 9749 1 18 . 1 1 31 31 VAL H H 31 7.704 7.704 8.230 -0.526 18507 9750 1 18 . 1 1 32 32 PHE N N 32 123.930 123.930 124.722 -0.792 18507 9751 1 18 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.491 0.076 18507 9752 1 18 . 1 1 32 32 PHE C C 32 174.872 174.872 174.414 0.458 18507 9753 1 18 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.212 -1.227 18507 9754 1 18 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.972 0.377 18507 9755 1 18 . 1 1 32 32 PHE H H 32 8.856 8.856 8.254 0.602 18507 9756 1 18 . 1 1 33 33 ILE N N 33 116.493 116.493 120.505 -4.012 18507 9757 1 18 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.501 -0.021 18507 9758 1 18 . 1 1 33 33 ILE C C 33 174.067 174.067 174.132 -0.065 18507 9759 1 18 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.284 0.225 18507 9760 1 18 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.872 1.422 18507 9761 1 18 . 1 1 33 33 ILE H H 33 9.316 9.316 9.198 0.118 18507 9762 1 18 . 1 1 34 34 SER N N 34 116.962 116.962 121.618 -4.656 18507 9763 1 18 . 1 1 34 34 SER HA H 34 4.496 4.496 4.779 -0.283 18507 9764 1 18 . 1 1 34 34 SER C C 34 170.691 170.691 171.833 -1.142 18507 9765 1 18 . 1 1 34 34 SER CA C 34 57.343 57.343 57.008 0.334 18507 9766 1 18 . 1 1 34 34 SER CB C 34 67.249 67.249 65.183 2.066 18507 9767 1 18 . 1 1 34 34 SER H H 34 8.518 8.518 8.622 -0.104 18507 9768 1 18 . 1 1 35 35 GLY N N 35 106.806 106.806 109.018 -2.212 18507 9769 1 18 . 1 1 35 35 GLY C C 35 172.451 172.451 172.408 0.043 18507 9770 1 18 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.609 1.452 18507 9771 1 18 . 1 1 35 35 GLY H H 35 7.200 7.200 6.905 0.295 18507 9772 1 18 . 1 1 36 36 SER N N 36 115.550 115.550 116.049 -0.499 18507 9773 1 18 . 1 1 36 36 SER HA H 36 3.388 3.388 4.413 -1.025 18507 9774 1 18 . 1 1 36 36 SER C C 36 177.094 177.094 176.988 0.106 18507 9775 1 18 . 1 1 36 36 SER CA C 36 60.882 60.882 60.837 0.045 18507 9776 1 18 . 1 1 36 36 SER CB C 36 61.978 61.978 63.586 -1.608 18507 9777 1 18 . 1 1 36 36 SER H H 36 8.952 8.952 8.024 0.928 18507 9778 1 18 . 1 1 37 37 PHE N N 37 118.633 118.633 117.689 0.944 18507 9779 1 18 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.326 0.135 18507 9780 1 18 . 1 1 37 37 PHE C C 37 175.254 175.254 175.449 -0.195 18507 9781 1 18 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.112 -1.356 18507 9782 1 18 . 1 1 37 37 PHE CB C 37 37.763 37.763 38.039 -0.276 18507 9783 1 18 . 1 1 37 37 PHE H H 37 6.475 6.475 7.869 -1.394 18507 9784 1 18 . 1 1 38 38 ASN N N 38 119.885 119.885 116.312 3.573 18507 9785 1 18 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.698 0.242 18507 9786 1 18 . 1 1 38 38 ASN C C 38 175.954 175.954 174.941 1.013 18507 9787 1 18 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.936 -0.655 18507 9788 1 18 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.794 -2.594 18507 9789 1 18 . 1 1 38 38 ASN H H 38 6.610 6.610 7.103 -0.493 18507 9790 1 18 . 1 1 39 39 ASN N N 39 117.264 117.264 118.367 -1.103 18507 9791 1 18 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.506 -0.196 18507 9792 1 18 . 1 1 39 39 ASN C C 39 173.171 173.171 174.904 -1.733 18507 9793 1 18 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.407 0.381 18507 9794 1 18 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.293 -0.299 18507 9795 1 18 . 1 1 39 39 ASN H H 39 7.822 7.822 7.609 0.213 18507 9796 1 18 . 1 1 40 40 TRP N N 40 113.463 113.463 114.129 -0.666 18507 9797 1 18 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.160 -0.159 18507 9798 1 18 . 1 1 40 40 TRP C C 40 177.457 177.457 175.598 1.859 18507 9799 1 18 . 1 1 40 40 TRP CA C 40 57.585 57.585 58.074 -0.489 18507 9800 1 18 . 1 1 40 40 TRP CB C 40 24.787 24.787 25.965 -1.178 18507 9801 1 18 . 1 1 40 40 TRP H H 40 8.300 8.300 7.679 0.621 18507 9802 1 18 . 1 1 41 41 SER N N 41 113.321 113.321 113.368 -0.047 18507 9803 1 18 . 1 1 41 41 SER HA H 41 4.216 4.216 4.616 -0.400 18507 9804 1 18 . 1 1 41 41 SER C C 41 174.913 174.913 174.227 0.686 18507 9805 1 18 . 1 1 41 41 SER CA C 41 60.460 60.460 58.735 1.725 18507 9806 1 18 . 1 1 41 41 SER CB C 41 64.591 64.591 64.365 0.226 18507 9807 1 18 . 1 1 41 41 SER H H 41 7.549 7.549 8.475 -0.926 18507 9808 1 18 . 1 1 42 42 THR N N 42 112.097 112.097 114.103 -2.006 18507 9809 1 18 . 1 1 42 42 THR HA H 42 4.576 4.576 4.345 0.231 18507 9810 1 18 . 1 1 42 42 THR C C 42 174.798 174.798 172.397 2.401 18507 9811 1 18 . 1 1 42 42 THR CA C 42 59.920 59.920 61.534 -1.614 18507 9812 1 18 . 1 1 42 42 THR CB C 42 71.457 71.457 70.058 1.399 18507 9813 1 18 . 1 1 42 42 THR H H 42 7.088 7.088 7.745 -0.657 18507 9814 1 18 . 1 1 43 43 LYS N N 43 122.104 122.104 126.287 -4.183 18507 9815 1 18 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.495 0.177 18507 9816 1 18 . 1 1 43 43 LYS C C 43 174.839 174.839 176.119 -1.280 18507 9817 1 18 . 1 1 43 43 LYS CA C 43 55.293 55.293 55.245 0.048 18507 9818 1 18 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.285 0.053 18507 9819 1 18 . 1 1 43 43 LYS H H 43 8.466 8.466 8.313 0.153 18507 9820 1 18 . 1 1 44 44 ILE N N 44 128.655 128.655 127.423 1.232 18507 9821 1 18 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.545 0.083 18507 9822 1 18 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.345 0.227 18507 9823 1 18 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.720 1.384 18507 9824 1 18 . 1 1 44 44 ILE H H 44 9.596 9.596 9.030 0.566 18507 9825 1 18 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.378 -0.073 18507 9826 1 18 . 1 1 45 45 PRO C C 45 174.315 174.315 176.074 -1.759 18507 9827 1 18 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.560 0.171 18507 9828 1 18 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.363 -0.117 18507 9829 1 18 . 1 1 46 46 LEU N N 46 122.198 122.198 124.776 -2.578 18507 9830 1 18 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.430 0.083 18507 9831 1 18 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.834 1.719 18507 9832 1 18 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.889 -0.079 18507 9833 1 18 . 1 1 46 46 LEU H H 46 8.157 8.157 7.588 0.569 18507 9834 1 18 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.868 0.482 18507 9835 1 18 . 1 1 47 47 ILE C C 47 175.903 175.903 176.047 -0.144 18507 9836 1 18 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.070 -1.656 18507 9837 1 18 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.714 2.682 18507 9838 1 18 . 1 1 48 48 LYS N N 48 128.033 128.033 128.999 -0.966 18507 9839 1 18 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.842 0.064 18507 9840 1 18 . 1 1 48 48 LYS C C 48 176.252 176.252 175.664 0.588 18507 9841 1 18 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.905 -0.203 18507 9842 1 18 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.807 -0.211 18507 9843 1 18 . 1 1 48 48 LYS H H 48 8.661 8.661 8.412 0.249 18507 9844 1 18 . 1 1 49 49 SER N N 49 122.194 122.194 119.800 2.394 18507 9845 1 18 . 1 1 49 49 SER HA H 49 4.367 4.367 4.685 -0.318 18507 9846 1 18 . 1 1 49 49 SER CA C 49 56.282 56.282 56.138 0.144 18507 9847 1 18 . 1 1 49 49 SER CB C 49 62.849 62.849 64.781 -1.932 18507 9848 1 18 . 1 1 49 49 SER H H 49 8.638 8.638 8.157 0.481 18507 9849 1 18 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.325 -0.283 18507 9850 1 18 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.516 -0.532 18507 9851 1 18 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.902 -2.005 18507 9852 1 18 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.648 0.067 18507 9853 1 18 . 1 1 51 51 ASN C C 51 174.091 174.091 174.318 -0.227 18507 9854 1 18 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.162 -0.386 18507 9855 1 18 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.243 -0.109 18507 9856 1 18 . 1 1 52 52 ASP N N 52 119.149 119.149 115.477 3.672 18507 9857 1 18 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.476 0.486 18507 9858 1 18 . 1 1 52 52 ASP C C 52 174.069 174.069 173.980 0.089 18507 9859 1 18 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.392 0.152 18507 9860 1 18 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.017 1.539 18507 9861 1 18 . 1 1 52 52 ASP H H 52 8.031 8.031 7.440 0.591 18507 9862 1 18 . 1 1 53 53 PHE N N 53 118.169 118.169 117.230 0.939 18507 9863 1 18 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.660 0.490 18507 9864 1 18 . 1 1 53 53 PHE C C 53 175.583 175.583 175.736 -0.153 18507 9865 1 18 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.215 -0.843 18507 9866 1 18 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.400 1.491 18507 9867 1 18 . 1 1 53 53 PHE H H 53 8.534 8.534 8.835 -0.301 18507 9868 1 18 . 1 1 54 54 VAL N N 54 118.983 118.983 121.228 -2.245 18507 9869 1 18 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.605 0.720 18507 9870 1 18 . 1 1 54 54 VAL CA C 54 60.134 60.134 61.375 -1.241 18507 9871 1 18 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.498 0.251 18507 9872 1 18 . 1 1 54 54 VAL H H 54 9.324 9.324 8.089 1.235 18507 9873 1 18 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.622 0.085 18507 9874 1 18 . 1 1 55 55 ALA C C 55 174.786 174.786 175.745 -0.959 18507 9875 1 18 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.407 0.479 18507 9876 1 18 . 1 1 55 55 ALA CB C 55 21.688 21.688 21.641 0.047 18507 9877 1 18 . 1 1 56 56 ILE N N 56 120.457 120.457 119.965 0.492 18507 9878 1 18 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.327 0.225 18507 9879 1 18 . 1 1 56 56 ILE C C 56 175.419 175.419 174.388 1.031 18507 9880 1 18 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.617 1.306 18507 9881 1 18 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.455 0.036 18507 9882 1 18 . 1 1 56 56 ILE H H 56 8.239 8.239 8.319 -0.080 18507 9883 1 18 . 1 1 57 57 LEU N N 57 127.392 127.392 122.878 4.514 18507 9884 1 18 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.705 -0.199 18507 9885 1 18 . 1 1 57 57 LEU C C 57 175.108 175.108 175.070 0.038 18507 9886 1 18 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.326 0.416 18507 9887 1 18 . 1 1 57 57 LEU CB C 57 45.170 45.170 46.150 -0.980 18507 9888 1 18 . 1 1 57 57 LEU H H 57 8.828 8.828 7.785 1.043 18507 9889 1 18 . 1 1 58 58 ASP N N 58 124.255 124.255 120.087 4.168 18507 9890 1 18 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.716 -0.088 18507 9891 1 18 . 1 1 58 58 ASP C C 58 175.066 175.066 175.823 -0.757 18507 9892 1 18 . 1 1 58 58 ASP CA C 58 52.941 52.941 53.826 -0.885 18507 9893 1 18 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.255 -0.548 18507 9894 1 18 . 1 1 58 58 ASP H H 58 8.571 8.571 8.352 0.219 18507 9895 1 18 . 1 1 59 59 LEU N N 59 124.092 124.092 124.405 -0.313 18507 9896 1 18 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.794 -0.259 18507 9897 1 18 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.214 -0.341 18507 9898 1 18 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.849 -0.815 18507 9899 1 18 . 1 1 59 59 LEU H H 59 7.681 7.681 8.277 -0.596 18507 9900 1 18 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.524 0.077 18507 9901 1 18 . 1 1 60 60 PRO C C 60 175.599 175.599 176.432 -0.833 18507 9902 1 18 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.245 -0.763 18507 9903 1 18 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.546 0.122 18507 9904 1 18 . 1 1 61 61 GLU N N 61 119.164 119.164 121.632 -2.468 18507 9905 1 18 . 1 1 61 61 GLU HA H 61 3.859 3.859 4.013 -0.154 18507 9906 1 18 . 1 1 61 61 GLU C C 61 176.121 176.121 176.262 -0.141 18507 9907 1 18 . 1 1 61 61 GLU CA C 61 57.458 57.458 58.739 -1.281 18507 9908 1 18 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.678 0.571 18507 9909 1 18 . 1 1 61 61 GLU H H 61 8.500 8.500 8.641 -0.141 18507 9910 1 18 . 1 1 62 62 GLY N N 62 111.529 111.529 113.552 -2.023 18507 9911 1 18 . 1 1 62 62 GLY C C 62 171.313 171.313 171.694 -0.381 18507 9912 1 18 . 1 1 62 62 GLY CA C 62 43.469 43.469 44.956 -1.487 18507 9913 1 18 . 1 1 62 62 GLY H H 62 8.845 8.845 7.612 1.233 18507 9914 1 18 . 1 1 63 63 GLU N N 63 119.100 119.100 122.052 -2.952 18507 9915 1 18 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.480 0.302 18507 9916 1 18 . 1 1 63 63 GLU C C 63 175.530 175.530 173.995 1.535 18507 9917 1 18 . 1 1 63 63 GLU CA C 63 54.978 54.978 55.197 -0.219 18507 9918 1 18 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.481 -1.098 18507 9919 1 18 . 1 1 63 63 GLU H H 63 8.015 8.015 8.057 -0.042 18507 9920 1 18 . 1 1 64 64 HIS N N 64 121.786 121.786 120.867 0.919 18507 9921 1 18 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.101 -0.284 18507 9922 1 18 . 1 1 64 64 HIS C C 64 174.358 174.358 173.388 0.970 18507 9923 1 18 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.657 0.313 18507 9924 1 18 . 1 1 64 64 HIS CB C 64 34.109 34.109 32.911 1.198 18507 9925 1 18 . 1 1 64 64 HIS H H 64 8.830 8.830 9.109 -0.279 18507 9926 1 18 . 1 1 65 65 GLN N N 65 121.667 121.667 118.039 3.628 18507 9927 1 18 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.845 0.916 18507 9928 1 18 . 1 1 65 65 GLN C C 65 175.833 175.833 174.404 1.429 18507 9929 1 18 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.418 -1.585 18507 9930 1 18 . 1 1 65 65 GLN CB C 65 32.265 32.265 32.161 0.103 18507 9931 1 18 . 1 1 65 65 GLN H H 65 8.637 8.637 9.134 -0.497 18507 9932 1 18 . 1 1 66 66 TYR N N 66 116.908 116.908 119.406 -2.498 18507 9933 1 18 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.313 -0.138 18507 9934 1 18 . 1 1 66 66 TYR C C 66 171.751 171.751 173.973 -2.222 18507 9935 1 18 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.805 2.178 18507 9936 1 18 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.777 -1.047 18507 9937 1 18 . 1 1 66 66 TYR H H 66 8.894 8.894 7.674 1.220 18507 9938 1 18 . 1 1 67 67 LYS N N 67 118.307 118.307 117.951 0.356 18507 9939 1 18 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.814 -0.180 18507 9940 1 18 . 1 1 67 67 LYS C C 67 173.317 173.317 174.886 -1.569 18507 9941 1 18 . 1 1 67 67 LYS CA C 67 56.876 56.876 55.246 1.630 18507 9942 1 18 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.788 0.411 18507 9943 1 18 . 1 1 67 67 LYS H H 67 8.927 8.927 8.391 0.536 18507 9944 1 18 . 1 1 68 68 PHE N N 68 118.691 118.691 122.517 -3.826 18507 9945 1 18 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.346 0.185 18507 9946 1 18 . 1 1 68 68 PHE C C 68 173.861 173.861 175.574 -1.713 18507 9947 1 18 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.387 0.561 18507 9948 1 18 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.126 0.146 18507 9949 1 18 . 1 1 68 68 PHE H H 68 8.436 8.436 8.314 0.122 18507 9950 1 18 . 1 1 69 69 PHE N N 69 125.718 125.718 123.759 1.959 18507 9951 1 18 . 1 1 69 69 PHE HA H 69 4.723 4.723 5.048 -0.325 18507 9952 1 18 . 1 1 69 69 PHE C C 69 174.574 174.574 173.250 1.324 18507 9953 1 18 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.804 -0.968 18507 9954 1 18 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.696 -0.540 18507 9955 1 18 . 1 1 69 69 PHE H H 69 9.000 9.000 8.691 0.309 18507 9956 1 18 . 1 1 70 70 VAL N N 70 126.808 126.808 125.468 1.340 18507 9957 1 18 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.722 -0.399 18507 9958 1 18 . 1 1 70 70 VAL C C 70 175.641 175.641 175.263 0.378 18507 9959 1 18 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.722 0.786 18507 9960 1 18 . 1 1 70 70 VAL CB C 70 33.470 33.470 35.076 -1.606 18507 9961 1 18 . 1 1 70 70 VAL H H 70 8.688 8.688 7.871 0.817 18507 9962 1 18 . 1 1 71 71 ASP N N 71 128.747 128.747 124.230 4.517 18507 9963 1 18 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.155 0.080 18507 9964 1 18 . 1 1 71 71 ASP C C 71 176.119 176.119 176.308 -0.189 18507 9965 1 18 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.924 0.725 18507 9966 1 18 . 1 1 71 71 ASP CB C 71 39.629 39.629 38.622 1.007 18507 9967 1 18 . 1 1 71 71 ASP H H 71 8.890 8.890 9.032 -0.142 18507 9968 1 18 . 1 1 72 72 GLY N N 72 100.856 100.856 104.071 -3.215 18507 9969 1 18 . 1 1 72 72 GLY C C 72 173.149 173.149 173.153 -0.004 18507 9970 1 18 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.338 -0.083 18507 9971 1 18 . 1 1 72 72 GLY H H 72 7.437 7.437 8.493 -1.056 18507 9972 1 18 . 1 1 73 73 GLN N N 73 117.716 117.716 113.625 4.091 18507 9973 1 18 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.395 0.085 18507 9974 1 18 . 1 1 73 73 GLN C C 73 173.981 173.981 173.012 0.969 18507 9975 1 18 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.058 0.227 18507 9976 1 18 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.563 1.347 18507 9977 1 18 . 1 1 73 73 GLN H H 73 6.923 6.923 6.402 0.521 18507 9978 1 18 . 1 1 74 74 TRP N N 74 123.738 123.738 121.287 2.451 18507 9979 1 18 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.089 0.724 18507 9980 1 18 . 1 1 74 74 TRP C C 74 177.239 177.239 177.207 0.032 18507 9981 1 18 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.475 -0.687 18507 9982 1 18 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.821 0.097 18507 9983 1 18 . 1 1 74 74 TRP H H 74 8.836 8.836 8.697 0.139 18507 9984 1 18 . 1 1 75 75 VAL N N 75 121.900 121.900 119.869 2.031 18507 9985 1 18 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.873 0.113 18507 9986 1 18 . 1 1 75 75 VAL C C 75 172.903 172.903 174.035 -1.132 18507 9987 1 18 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.438 1.187 18507 9988 1 18 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.611 1.043 18507 9989 1 18 . 1 1 75 75 VAL H H 75 10.049 10.049 8.783 1.266 18507 9990 1 18 . 1 1 76 76 HIS N N 76 119.400 119.400 116.047 3.353 18507 9991 1 18 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.273 0.305 18507 9992 1 18 . 1 1 76 76 HIS C C 76 173.084 173.084 173.362 -0.278 18507 9993 1 18 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.666 -0.406 18507 9994 1 18 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.557 0.250 18507 9995 1 18 . 1 1 76 76 HIS H H 76 7.758 7.758 8.374 -0.616 18507 9996 1 18 . 1 1 77 77 ASP N N 77 121.057 121.057 121.381 -0.324 18507 9997 1 18 . 1 1 77 77 ASP HA H 77 5.104 5.104 4.900 0.204 18507 9998 1 18 . 1 1 77 77 ASP CA C 77 50.464 50.464 51.621 -1.157 18507 9999 1 18 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.700 -0.430 18507 10000 1 18 . 1 1 77 77 ASP H H 77 10.717 10.717 9.103 1.614 18507 10001 1 18 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.606 -0.071 18507 10002 1 18 . 1 1 78 78 PRO C C 78 177.387 177.387 177.585 -0.198 18507 10003 1 18 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.253 -0.656 18507 10004 1 18 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.563 -0.237 18507 10005 1 18 . 1 1 79 79 SER N N 79 116.058 116.058 113.431 2.627 18507 10006 1 18 . 1 1 79 79 SER HA H 79 4.477 4.477 4.411 0.066 18507 10007 1 18 . 1 1 79 79 SER C C 79 173.819 173.819 174.745 -0.926 18507 10008 1 18 . 1 1 79 79 SER CA C 79 59.369 59.369 59.600 -0.231 18507 10009 1 18 . 1 1 79 79 SER CB C 79 63.875 63.875 63.614 0.261 18507 10010 1 18 . 1 1 79 79 SER H H 79 8.853 8.853 8.076 0.777 18507 10011 1 18 . 1 1 80 80 GLU N N 80 122.620 122.620 120.595 2.025 18507 10012 1 18 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.686 0.273 18507 10013 1 18 . 1 1 80 80 GLU CA C 80 53.401 53.401 54.484 -1.083 18507 10014 1 18 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.191 0.429 18507 10015 1 18 . 1 1 80 80 GLU H H 80 7.332 7.332 7.418 -0.086 18507 10016 1 18 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.472 -0.033 18507 10017 1 18 . 1 1 81 81 PRO C C 81 177.020 177.020 175.492 1.528 18507 10018 1 18 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.214 0.482 18507 10019 1 18 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.232 -2.013 18507 10020 1 18 . 1 1 82 82 VAL N N 82 114.720 114.720 116.574 -1.854 18507 10021 1 18 . 1 1 82 82 VAL HA H 82 5.467 5.467 5.014 0.453 18507 10022 1 18 . 1 1 82 82 VAL C C 82 175.787 175.787 174.824 0.963 18507 10023 1 18 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.067 -0.468 18507 10024 1 18 . 1 1 82 82 VAL CB C 82 36.758 36.758 34.201 2.557 18507 10025 1 18 . 1 1 82 82 VAL H H 82 8.221 8.221 7.830 0.391 18507 10026 1 18 . 1 1 83 83 VAL N N 83 117.999 117.999 121.544 -3.545 18507 10027 1 18 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.441 -0.031 18507 10028 1 18 . 1 1 83 83 VAL C C 83 173.384 173.384 174.099 -0.715 18507 10029 1 18 . 1 1 83 83 VAL CA C 83 59.533 59.533 59.807 -0.274 18507 10030 1 18 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.439 -1.134 18507 10031 1 18 . 1 1 83 83 VAL H H 83 8.898 8.898 8.915 -0.017 18507 10032 1 18 . 1 1 84 84 THR N N 84 120.469 120.469 123.233 -2.764 18507 10033 1 18 . 1 1 84 84 THR HA H 84 4.751 4.751 4.506 0.245 18507 10034 1 18 . 1 1 84 84 THR C C 84 174.975 174.975 174.312 0.663 18507 10035 1 18 . 1 1 84 84 THR CA C 84 61.446 61.446 62.407 -0.961 18507 10036 1 18 . 1 1 84 84 THR CB C 84 68.959 68.959 68.263 0.696 18507 10037 1 18 . 1 1 84 84 THR H H 84 8.309 8.309 8.309 0.000 18507 10038 1 18 . 1 1 85 85 SER N N 85 123.544 123.544 121.908 1.636 18507 10039 1 18 . 1 1 85 85 SER HA H 85 4.533 4.533 4.370 0.163 18507 10040 1 18 . 1 1 85 85 SER CA C 85 57.027 57.027 57.658 -0.631 18507 10041 1 18 . 1 1 85 85 SER CB C 85 65.264 65.264 64.537 0.727 18507 10042 1 18 . 1 1 85 85 SER H H 85 9.137 9.137 8.172 0.965 18507 10043 1 18 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.185 -0.093 18507 10044 1 18 . 1 1 86 86 GLN C C 86 176.451 176.451 176.244 0.207 18507 10045 1 18 . 1 1 86 86 GLN CA C 86 58.070 58.070 57.927 0.143 18507 10046 1 18 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.194 -0.059 18507 10047 1 18 . 1 1 87 87 LEU N N 87 117.032 117.032 119.492 -2.460 18507 10048 1 18 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.464 -0.205 18507 10049 1 18 . 1 1 87 87 LEU C C 87 177.470 177.470 177.286 0.184 18507 10050 1 18 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.344 0.306 18507 10051 1 18 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.820 0.856 18507 10052 1 18 . 1 1 87 87 LEU H H 87 7.692 7.692 8.066 -0.374 18507 10053 1 18 . 1 1 88 88 GLY N N 88 107.770 107.770 108.575 -0.805 18507 10054 1 18 . 1 1 88 88 GLY C C 88 174.029 174.029 174.155 -0.126 18507 10055 1 18 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.759 -0.497 18507 10056 1 18 . 1 1 88 88 GLY H H 88 7.932 7.932 7.698 0.234 18507 10057 1 18 . 1 1 89 89 THR N N 89 112.596 112.596 113.371 -0.775 18507 10058 1 18 . 1 1 89 89 THR HA H 89 4.259 4.259 4.542 -0.283 18507 10059 1 18 . 1 1 89 89 THR C C 89 172.837 172.837 174.615 -1.778 18507 10060 1 18 . 1 1 89 89 THR CA C 89 60.743 60.743 60.099 0.644 18507 10061 1 18 . 1 1 89 89 THR CB C 89 69.845 69.845 69.896 -0.051 18507 10062 1 18 . 1 1 89 89 THR H H 89 7.148 7.148 7.249 -0.101 18507 10063 1 18 . 1 1 90 90 ILE N N 90 123.927 123.927 127.757 -3.830 18507 10064 1 18 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.195 0.215 18507 10065 1 18 . 1 1 90 90 ILE C C 90 175.007 175.007 175.192 -0.185 18507 10066 1 18 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.492 0.059 18507 10067 1 18 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.506 2.429 18507 10068 1 18 . 1 1 90 90 ILE H H 90 8.514 8.514 8.820 -0.306 18507 10069 1 18 . 1 1 91 91 ASN N N 91 123.450 123.450 123.460 -0.010 18507 10070 1 18 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.971 0.316 18507 10071 1 18 . 1 1 91 91 ASN C C 91 175.916 175.916 173.742 2.174 18507 10072 1 18 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.574 -0.598 18507 10073 1 18 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.241 0.935 18507 10074 1 18 . 1 1 91 91 ASN H H 91 8.497 8.497 8.558 -0.061 18507 10075 1 18 . 1 1 92 92 ASN N N 92 115.675 115.675 117.788 -2.113 18507 10076 1 18 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.681 0.930 18507 10077 1 18 . 1 1 92 92 ASN C C 92 173.765 173.765 174.422 -0.657 18507 10078 1 18 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.890 0.922 18507 10079 1 18 . 1 1 92 92 ASN CB C 92 41.743 41.743 38.694 3.049 18507 10080 1 18 . 1 1 92 92 ASN H H 92 8.721 8.721 8.332 0.389 18507 10081 1 18 . 1 1 93 93 LEU N N 93 120.001 120.001 120.474 -0.473 18507 10082 1 18 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.638 0.699 18507 10083 1 18 . 1 1 93 93 LEU C C 93 175.864 175.864 175.116 0.748 18507 10084 1 18 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.419 -0.897 18507 10085 1 18 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.679 1.444 18507 10086 1 18 . 1 1 93 93 LEU H H 93 7.661 7.661 7.897 -0.236 18507 10087 1 18 . 1 1 94 94 ILE N N 94 124.682 124.682 126.651 -1.969 18507 10088 1 18 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.690 0.157 18507 10089 1 18 . 1 1 94 94 ILE C C 94 172.078 172.078 173.440 -1.362 18507 10090 1 18 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.417 -1.066 18507 10091 1 18 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.210 -0.119 18507 10092 1 18 . 1 1 94 94 ILE H H 94 9.282 9.282 9.331 -0.049 18507 10093 1 18 . 1 1 95 95 HIS N N 95 126.782 126.782 128.755 -1.973 18507 10094 1 18 . 1 1 95 95 HIS HA H 95 5.110 5.110 4.975 0.135 18507 10095 1 18 . 1 1 95 95 HIS C C 95 174.655 174.655 173.713 0.942 18507 10096 1 18 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.658 -0.324 18507 10097 1 18 . 1 1 95 95 HIS CB C 95 31.399 31.399 29.787 1.612 18507 10098 1 18 . 1 1 95 95 HIS H H 95 8.690 8.690 8.748 -0.058 18507 10099 1 18 . 1 1 96 96 VAL N N 96 128.616 128.616 126.429 2.187 18507 10100 1 18 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.264 -0.149 18507 10101 1 18 . 1 1 96 96 VAL C C 96 175.515 175.515 175.252 0.263 18507 10102 1 18 . 1 1 96 96 VAL CA C 96 62.502 62.502 62.404 0.098 18507 10103 1 18 . 1 1 96 96 VAL CB C 96 32.332 32.332 32.839 -0.506 18507 10104 1 18 . 1 1 96 96 VAL H H 96 9.082 9.082 8.204 0.878 18507 10105 1 18 . 1 1 97 97 LYS N N 97 128.692 128.692 123.839 4.853 18507 10106 1 18 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.720 -0.170 18507 10107 1 18 . 1 1 97 97 LYS C C 97 176.019 176.019 174.933 1.086 18507 10108 1 18 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.364 0.728 18507 10109 1 18 . 1 1 97 97 LYS CB C 97 34.588 34.588 35.747 -1.159 18507 10110 1 18 . 1 1 97 97 LYS H H 97 8.708 8.708 8.297 0.411 18507 10111 1 18 . 1 1 98 98 LYS N N 98 122.635 122.635 119.663 2.972 18507 10112 1 18 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.630 -0.508 18507 10113 1 18 . 1 1 98 98 LYS C C 98 176.947 176.947 176.088 0.859 18507 10114 1 18 . 1 1 98 98 LYS CA C 98 57.232 57.232 56.423 0.809 18507 10115 1 18 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.234 -0.385 18507 10116 1 18 . 1 1 98 98 LYS H H 98 8.717 8.717 8.520 0.197 18507 10117 1 18 . 1 1 99 99 SER N N 99 116.737 116.737 114.574 2.163 18507 10118 1 18 . 1 1 99 99 SER HA H 99 4.357 4.357 4.435 -0.078 18507 10119 1 18 . 1 1 99 99 SER C C 99 174.335 174.335 173.929 0.406 18507 10120 1 18 . 1 1 99 99 SER CA C 99 58.240 58.240 58.245 -0.005 18507 10121 1 18 . 1 1 99 99 SER CB C 99 63.664 63.664 63.865 -0.201 18507 10122 1 18 . 1 1 99 99 SER H H 99 8.393 8.393 8.692 -0.299 18507 10123 1 18 . 1 1 100 100 ASP N N 100 122.287 122.287 121.977 0.310 18507 10124 1 18 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.583 -0.057 18507 10125 1 18 . 1 1 100 100 ASP C C 100 175.823 175.823 177.294 -1.471 18507 10126 1 18 . 1 1 100 100 ASP CA C 100 54.813 54.813 55.843 -1.030 18507 10127 1 18 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.150 -0.212 18507 10128 1 18 . 1 1 100 100 ASP H H 100 8.288 8.288 8.346 -0.058 18507 10129 1 18 . 1 1 101 101 PHE N N 101 118.668 118.668 114.269 4.399 18507 10130 1 18 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.588 -0.013 18507 10131 1 18 . 1 1 101 101 PHE C C 101 175.279 175.279 176.153 -0.874 18507 10132 1 18 . 1 1 101 101 PHE CA C 101 57.462 57.462 58.757 -1.295 18507 10133 1 18 . 1 1 101 101 PHE CB C 101 39.557 39.557 38.743 0.814 18507 10134 1 18 . 1 1 101 101 PHE H H 101 7.923 7.923 7.666 0.257 18507 10135 1 18 . 1 1 102 102 GLU N N 102 122.081 122.081 118.429 3.652 18507 10136 1 18 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.811 0.369 18507 10137 1 18 . 1 1 102 102 GLU C C 102 175.388 175.388 176.533 -1.145 18507 10138 1 18 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.631 -1.323 18507 10139 1 18 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.276 1.309 18507 10140 1 18 . 1 1 102 102 GLU H H 102 8.138 8.138 7.407 0.731 18507 10141 1 18 . 1 1 103 103 VAL N N 103 120.545 120.545 118.845 1.700 18507 10142 1 18 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.977 0.047 18507 10143 1 18 . 1 1 103 103 VAL C C 103 175.359 175.359 175.796 -0.437 18507 10144 1 18 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.606 0.067 18507 10145 1 18 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.628 0.470 18507 10146 1 18 . 1 1 103 103 VAL H H 103 7.934 7.934 7.363 0.571 18507 10147 1 18 . 1 1 104 104 PHE N N 104 124.359 124.359 124.131 0.228 18507 10148 1 18 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.660 0.035 18507 10149 1 18 . 1 1 104 104 PHE C C 104 174.530 174.530 175.575 -1.045 18507 10150 1 18 . 1 1 104 104 PHE CA C 104 57.140 57.140 57.853 -0.713 18507 10151 1 18 . 1 1 104 104 PHE CB C 104 39.964 39.964 38.729 1.235 18507 10152 1 18 . 1 1 104 104 PHE H H 104 8.340 8.340 8.083 0.257 18507 10153 1 19 . 1 1 2 2 ALA N N 2 129.609 129.609 123.857 5.752 18507 10154 1 19 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.653 -0.317 18507 10155 1 19 . 1 1 2 2 ALA C C 2 177.730 177.730 178.187 -0.457 18507 10156 1 19 . 1 1 2 2 ALA CA C 2 52.590 52.590 51.714 0.876 18507 10157 1 19 . 1 1 2 2 ALA CB C 2 19.509 19.509 19.517 -0.008 18507 10158 1 19 . 1 1 2 2 ALA H H 2 8.252 8.252 8.225 0.027 18507 10159 1 19 . 1 1 3 3 MET N N 3 119.597 119.597 121.547 -1.950 18507 10160 1 19 . 1 1 3 3 MET HA H 3 4.457 4.457 4.356 0.101 18507 10161 1 19 . 1 1 3 3 MET C C 3 176.640 176.640 176.772 -0.132 18507 10162 1 19 . 1 1 3 3 MET CA C 3 55.433 55.433 55.737 -0.304 18507 10163 1 19 . 1 1 3 3 MET CB C 3 32.141 32.141 32.843 -0.702 18507 10164 1 19 . 1 1 3 3 MET H H 3 8.526 8.526 8.730 -0.204 18507 10165 1 19 . 1 1 4 4 GLY N N 4 110.104 110.104 108.814 1.290 18507 10166 1 19 . 1 1 4 4 GLY C C 4 173.846 173.846 173.274 0.572 18507 10167 1 19 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.461 0.829 18507 10168 1 19 . 1 1 4 4 GLY H H 4 8.388 8.388 8.007 0.381 18507 10169 1 19 . 1 1 5 5 ILE N N 5 120.177 120.177 122.991 -2.814 18507 10170 1 19 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.420 -0.278 18507 10171 1 19 . 1 1 5 5 ILE C C 5 176.245 176.245 175.647 0.598 18507 10172 1 19 . 1 1 5 5 ILE CA C 5 60.706 60.706 61.109 -0.403 18507 10173 1 19 . 1 1 5 5 ILE CB C 5 38.686 38.686 38.522 0.164 18507 10174 1 19 . 1 1 5 5 ILE H H 5 7.995 7.995 8.124 -0.129 18507 10175 1 19 . 1 1 6 6 ARG N N 6 125.295 125.295 128.438 -3.143 18507 10176 1 19 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.562 -0.215 18507 10177 1 19 . 1 1 6 6 ARG C C 6 174.908 174.908 175.627 -0.719 18507 10178 1 19 . 1 1 6 6 ARG CA C 6 55.812 55.812 54.864 0.948 18507 10179 1 19 . 1 1 6 6 ARG CB C 6 30.829 30.829 31.197 -0.368 18507 10180 1 19 . 1 1 6 6 ARG H H 6 8.451 8.451 8.333 0.118 18507 10181 1 19 . 1 1 7 7 ASN N N 7 125.979 125.979 116.380 9.599 18507 10182 1 19 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.466 0.017 18507 10183 1 19 . 1 1 7 7 ASN C C 7 175.993 175.993 175.252 0.741 18507 10184 1 19 . 1 1 7 7 ASN CA C 7 54.699 54.699 53.786 0.913 18507 10185 1 19 . 1 1 7 7 ASN CB C 7 40.744 40.744 37.319 3.425 18507 10186 1 19 . 1 1 7 7 ASN H H 7 8.072 8.072 8.827 -0.755 18507 10187 1 19 . 1 1 8 8 SER N N 8 120.939 120.939 113.909 7.030 18507 10188 1 19 . 1 1 8 8 SER C C 8 174.402 174.402 175.089 -0.687 18507 10189 1 19 . 1 1 8 8 SER CA C 8 58.678 58.678 60.284 -1.606 18507 10190 1 19 . 1 1 8 8 SER CB C 8 63.735 63.735 63.484 0.251 18507 10191 1 19 . 1 1 8 8 SER H H 8 8.363 8.363 8.417 -0.054 18507 10192 1 19 . 1 1 9 9 ASP N N 9 122.169 122.169 119.535 2.634 18507 10193 1 19 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.629 -0.017 18507 10194 1 19 . 1 1 9 9 ASP C C 9 176.302 176.302 175.465 0.837 18507 10195 1 19 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.198 0.469 18507 10196 1 19 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.170 -0.078 18507 10197 1 19 . 1 1 9 9 ASP H H 9 8.334 8.334 7.963 0.371 18507 10198 1 19 . 1 1 10 10 SER N N 10 115.330 115.330 116.140 -0.810 18507 10199 1 19 . 1 1 10 10 SER HA H 10 4.408 4.408 4.157 0.251 18507 10200 1 19 . 1 1 10 10 SER C C 10 174.338 174.338 172.961 1.377 18507 10201 1 19 . 1 1 10 10 SER CA C 10 58.421 58.421 58.661 -0.240 18507 10202 1 19 . 1 1 10 10 SER CB C 10 63.749 63.749 62.882 0.867 18507 10203 1 19 . 1 1 10 10 SER H H 10 8.130 8.130 8.147 -0.017 18507 10204 1 19 . 1 1 11 11 VAL N N 11 121.719 121.719 121.142 0.577 18507 10205 1 19 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.173 -0.085 18507 10206 1 19 . 1 1 11 11 VAL C C 11 175.837 175.837 175.541 0.296 18507 10207 1 19 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.846 0.126 18507 10208 1 19 . 1 1 11 11 VAL CB C 11 32.508 32.508 32.430 0.078 18507 10209 1 19 . 1 1 11 11 VAL H H 11 8.040 8.040 8.119 -0.079 18507 10210 1 19 . 1 1 12 12 LYS N N 12 126.544 126.544 125.218 1.326 18507 10211 1 19 . 1 1 12 12 LYS H H 12 8.349 8.349 8.587 -0.238 18507 10212 1 19 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.415 0.044 18507 10213 1 19 . 1 1 13 13 PRO C C 13 177.038 177.038 176.600 0.438 18507 10214 1 19 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.586 -0.718 18507 10215 1 19 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.883 0.299 18507 10216 1 19 . 1 1 14 14 THR N N 14 114.515 114.515 110.495 4.020 18507 10217 1 19 . 1 1 14 14 THR HA H 14 4.255 4.255 4.494 -0.239 18507 10218 1 19 . 1 1 14 14 THR C C 14 174.477 174.477 173.948 0.529 18507 10219 1 19 . 1 1 14 14 THR CA C 14 61.813 61.813 60.582 1.231 18507 10220 1 19 . 1 1 14 14 THR CB C 14 69.675 69.675 71.245 -1.570 18507 10221 1 19 . 1 1 14 14 THR H H 14 8.234 8.234 7.567 0.667 18507 10222 1 19 . 1 1 15 15 GLN N N 15 122.586 122.586 120.757 1.829 18507 10223 1 19 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.525 -0.179 18507 10224 1 19 . 1 1 15 15 GLN C C 15 175.452 175.452 175.596 -0.144 18507 10225 1 19 . 1 1 15 15 GLN CA C 15 55.562 55.562 55.349 0.213 18507 10226 1 19 . 1 1 15 15 GLN CB C 15 29.535 29.535 30.183 -0.648 18507 10227 1 19 . 1 1 15 15 GLN H H 15 8.380 8.380 8.372 0.008 18507 10228 1 19 . 1 1 16 16 GLN N N 16 122.137 122.137 121.199 0.938 18507 10229 1 19 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.573 -0.313 18507 10230 1 19 . 1 1 16 16 GLN C C 16 175.050 175.050 174.193 0.857 18507 10231 1 19 . 1 1 16 16 GLN CA C 16 55.542 55.542 54.989 0.553 18507 10232 1 19 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.422 0.304 18507 10233 1 19 . 1 1 16 16 GLN H H 16 8.457 8.457 8.601 -0.144 18507 10234 1 19 . 1 1 17 17 ALA N N 17 125.292 125.292 125.093 0.199 18507 10235 1 19 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.476 -0.165 18507 10236 1 19 . 1 1 17 17 ALA C C 17 176.628 176.628 175.743 0.885 18507 10237 1 19 . 1 1 17 17 ALA CA C 17 51.712 51.712 52.109 -0.397 18507 10238 1 19 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.743 -0.776 18507 10239 1 19 . 1 1 17 17 ALA H H 17 8.323 8.323 8.366 -0.043 18507 10240 1 19 . 1 1 18 18 ARG N N 18 122.106 122.106 122.179 -0.073 18507 10241 1 19 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.675 -0.054 18507 10242 1 19 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.812 -0.586 18507 10243 1 19 . 1 1 18 18 ARG CB C 18 30.775 30.775 31.199 -0.424 18507 10244 1 19 . 1 1 18 18 ARG H H 18 8.591 8.591 8.620 -0.029 18507 10245 1 19 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.448 0.136 18507 10246 1 19 . 1 1 19 19 PRO C C 19 176.098 176.098 176.215 -0.117 18507 10247 1 19 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.517 0.444 18507 10248 1 19 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.351 -0.206 18507 10249 1 19 . 1 1 20 20 THR N N 20 121.694 121.694 113.781 7.913 18507 10250 1 19 . 1 1 20 20 THR HA H 20 4.228 4.228 4.276 -0.048 18507 10251 1 19 . 1 1 20 20 THR C C 20 172.413 172.413 174.264 -1.851 18507 10252 1 19 . 1 1 20 20 THR CA C 20 62.891 62.891 60.068 2.823 18507 10253 1 19 . 1 1 20 20 THR CB C 20 71.036 71.036 69.816 1.220 18507 10254 1 19 . 1 1 20 20 THR H H 20 9.046 9.046 8.145 0.901 18507 10255 1 19 . 1 1 21 21 VAL N N 21 127.141 127.141 124.805 2.336 18507 10256 1 19 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.228 0.319 18507 10257 1 19 . 1 1 21 21 VAL C C 21 175.345 175.345 174.751 0.594 18507 10258 1 19 . 1 1 21 21 VAL CA C 21 61.780 61.780 61.700 0.080 18507 10259 1 19 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.578 0.680 18507 10260 1 19 . 1 1 21 21 VAL H H 21 8.572 8.572 8.338 0.234 18507 10261 1 19 . 1 1 22 22 ILE N N 22 130.341 130.341 127.760 2.581 18507 10262 1 19 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.528 -0.235 18507 10263 1 19 . 1 1 22 22 ILE C C 22 173.794 173.794 174.368 -0.574 18507 10264 1 19 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.656 -1.205 18507 10265 1 19 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.276 -2.612 18507 10266 1 19 . 1 1 22 22 ILE H H 22 8.913 8.913 8.178 0.735 18507 10267 1 19 . 1 1 23 23 ARG N N 23 125.596 125.596 125.216 0.380 18507 10268 1 19 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.069 0.440 18507 10269 1 19 . 1 1 23 23 ARG C C 23 174.125 174.125 174.496 -0.371 18507 10270 1 19 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.062 -1.057 18507 10271 1 19 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.856 2.728 18507 10272 1 19 . 1 1 23 23 ARG H H 23 8.595 8.595 8.679 -0.084 18507 10273 1 19 . 1 1 24 24 TRP N N 24 123.124 123.124 127.587 -4.463 18507 10274 1 19 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.844 -0.057 18507 10275 1 19 . 1 1 24 24 TRP C C 24 177.208 177.208 173.799 3.409 18507 10276 1 19 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.206 -0.232 18507 10277 1 19 . 1 1 24 24 TRP CB C 24 32.407 32.407 31.832 0.575 18507 10278 1 19 . 1 1 24 24 TRP H H 24 9.098 9.098 8.853 0.245 18507 10279 1 19 . 1 1 25 25 SER N N 25 123.623 123.623 122.414 1.209 18507 10280 1 19 . 1 1 25 25 SER HA H 25 4.827 4.827 4.582 0.245 18507 10281 1 19 . 1 1 25 25 SER CA C 25 58.442 58.442 57.322 1.120 18507 10282 1 19 . 1 1 25 25 SER CB C 25 63.993 63.993 64.814 -0.821 18507 10283 1 19 . 1 1 25 25 SER H H 25 8.837 8.837 7.947 0.890 18507 10284 1 19 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.384 -0.243 18507 10285 1 19 . 1 1 26 26 GLU C C 26 175.915 175.915 175.953 -0.038 18507 10286 1 19 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.526 -1.262 18507 10287 1 19 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.831 -1.547 18507 10288 1 19 . 1 1 27 27 GLY N N 27 109.186 109.186 109.528 -0.342 18507 10289 1 19 . 1 1 27 27 GLY C C 27 173.380 173.380 173.865 -0.485 18507 10290 1 19 . 1 1 27 27 GLY CA C 27 44.632 44.632 44.882 -0.250 18507 10291 1 19 . 1 1 27 27 GLY H H 27 8.434 8.434 8.339 0.095 18507 10292 1 19 . 1 1 28 28 GLY N N 28 106.478 106.478 106.239 0.239 18507 10293 1 19 . 1 1 28 28 GLY C C 28 172.572 172.572 174.451 -1.879 18507 10294 1 19 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.453 -0.756 18507 10295 1 19 . 1 1 28 28 GLY H H 28 7.948 7.948 7.888 0.060 18507 10296 1 19 . 1 1 29 29 LYS N N 29 120.742 120.742 117.666 3.076 18507 10297 1 19 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.476 0.139 18507 10298 1 19 . 1 1 29 29 LYS C C 29 177.173 177.173 175.670 1.503 18507 10299 1 19 . 1 1 29 29 LYS CA C 29 57.951 57.951 57.069 0.882 18507 10300 1 19 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.871 -0.036 18507 10301 1 19 . 1 1 29 29 LYS H H 29 10.077 10.077 8.653 1.424 18507 10302 1 19 . 1 1 30 30 GLU N N 30 121.578 121.578 117.245 4.333 18507 10303 1 19 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.448 -0.251 18507 10304 1 19 . 1 1 30 30 GLU C C 30 173.541 173.541 173.805 -0.264 18507 10305 1 19 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.225 0.755 18507 10306 1 19 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.603 0.870 18507 10307 1 19 . 1 1 30 30 GLU H H 30 8.810 8.810 8.012 0.798 18507 10308 1 19 . 1 1 31 31 VAL N N 31 124.182 124.182 121.871 2.311 18507 10309 1 19 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.578 -0.038 18507 10310 1 19 . 1 1 31 31 VAL C C 31 173.552 173.552 174.228 -0.676 18507 10311 1 19 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.443 0.792 18507 10312 1 19 . 1 1 31 31 VAL CB C 31 35.261 35.261 32.963 2.298 18507 10313 1 19 . 1 1 31 31 VAL H H 31 7.704 7.704 8.238 -0.534 18507 10314 1 19 . 1 1 32 32 PHE N N 32 123.930 123.930 124.485 -0.555 18507 10315 1 19 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.374 0.193 18507 10316 1 19 . 1 1 32 32 PHE C C 32 174.872 174.872 174.391 0.481 18507 10317 1 19 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.480 -1.495 18507 10318 1 19 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.912 0.437 18507 10319 1 19 . 1 1 32 32 PHE H H 32 8.856 8.856 8.106 0.750 18507 10320 1 19 . 1 1 33 33 ILE N N 33 116.493 116.493 121.211 -4.718 18507 10321 1 19 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.552 -0.072 18507 10322 1 19 . 1 1 33 33 ILE C C 33 174.067 174.067 174.075 -0.008 18507 10323 1 19 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.195 0.314 18507 10324 1 19 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.913 1.381 18507 10325 1 19 . 1 1 33 33 ILE H H 33 9.316 9.316 9.246 0.070 18507 10326 1 19 . 1 1 34 34 SER N N 34 116.962 116.962 121.902 -4.940 18507 10327 1 19 . 1 1 34 34 SER HA H 34 4.496 4.496 4.780 -0.284 18507 10328 1 19 . 1 1 34 34 SER C C 34 170.691 170.691 171.844 -1.153 18507 10329 1 19 . 1 1 34 34 SER CA C 34 57.343 57.343 56.922 0.420 18507 10330 1 19 . 1 1 34 34 SER CB C 34 67.249 67.249 65.230 2.019 18507 10331 1 19 . 1 1 34 34 SER H H 34 8.518 8.518 8.605 -0.087 18507 10332 1 19 . 1 1 35 35 GLY N N 35 106.806 106.806 108.896 -2.090 18507 10333 1 19 . 1 1 35 35 GLY C C 35 172.451 172.451 172.314 0.137 18507 10334 1 19 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.252 1.809 18507 10335 1 19 . 1 1 35 35 GLY H H 35 7.200 7.200 7.197 0.003 18507 10336 1 19 . 1 1 36 36 SER N N 36 115.550 115.550 116.154 -0.604 18507 10337 1 19 . 1 1 36 36 SER HA H 36 3.388 3.388 4.268 -0.880 18507 10338 1 19 . 1 1 36 36 SER C C 36 177.094 177.094 176.951 0.143 18507 10339 1 19 . 1 1 36 36 SER CA C 36 60.882 60.882 60.894 -0.012 18507 10340 1 19 . 1 1 36 36 SER CB C 36 61.978 61.978 63.395 -1.417 18507 10341 1 19 . 1 1 36 36 SER H H 36 8.952 8.952 7.873 1.079 18507 10342 1 19 . 1 1 37 37 PHE N N 37 118.633 118.633 118.222 0.411 18507 10343 1 19 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.278 0.183 18507 10344 1 19 . 1 1 37 37 PHE C C 37 175.254 175.254 175.470 -0.216 18507 10345 1 19 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.306 -1.550 18507 10346 1 19 . 1 1 37 37 PHE CB C 37 37.763 37.763 38.038 -0.275 18507 10347 1 19 . 1 1 37 37 PHE H H 37 6.475 6.475 8.017 -1.542 18507 10348 1 19 . 1 1 38 38 ASN N N 38 119.885 119.885 116.111 3.774 18507 10349 1 19 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.677 0.263 18507 10350 1 19 . 1 1 38 38 ASN C C 38 175.954 175.954 175.007 0.947 18507 10351 1 19 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.744 -0.463 18507 10352 1 19 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.755 -2.554 18507 10353 1 19 . 1 1 38 38 ASN H H 38 6.610 6.610 6.945 -0.335 18507 10354 1 19 . 1 1 39 39 ASN N N 39 117.264 117.264 118.389 -1.125 18507 10355 1 19 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.469 -0.159 18507 10356 1 19 . 1 1 39 39 ASN C C 39 173.171 173.171 174.841 -1.670 18507 10357 1 19 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.519 0.269 18507 10358 1 19 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.178 -0.184 18507 10359 1 19 . 1 1 39 39 ASN H H 39 7.822 7.822 7.899 -0.077 18507 10360 1 19 . 1 1 40 40 TRP N N 40 113.463 113.463 113.984 -0.521 18507 10361 1 19 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.207 -0.206 18507 10362 1 19 . 1 1 40 40 TRP C C 40 177.457 177.457 176.359 1.098 18507 10363 1 19 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.776 -0.192 18507 10364 1 19 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.564 -1.778 18507 10365 1 19 . 1 1 40 40 TRP H H 40 8.300 8.300 7.697 0.603 18507 10366 1 19 . 1 1 41 41 SER N N 41 113.321 113.321 114.299 -0.978 18507 10367 1 19 . 1 1 41 41 SER HA H 41 4.216 4.216 4.619 -0.403 18507 10368 1 19 . 1 1 41 41 SER C C 41 174.913 174.913 174.233 0.680 18507 10369 1 19 . 1 1 41 41 SER CA C 41 60.460 60.460 58.848 1.612 18507 10370 1 19 . 1 1 41 41 SER CB C 41 64.591 64.591 64.109 0.482 18507 10371 1 19 . 1 1 41 41 SER H H 41 7.549 7.549 8.345 -0.796 18507 10372 1 19 . 1 1 42 42 THR N N 42 112.097 112.097 114.736 -2.639 18507 10373 1 19 . 1 1 42 42 THR HA H 42 4.576 4.576 4.360 0.216 18507 10374 1 19 . 1 1 42 42 THR C C 42 174.798 174.798 172.325 2.473 18507 10375 1 19 . 1 1 42 42 THR CA C 42 59.920 59.920 61.573 -1.653 18507 10376 1 19 . 1 1 42 42 THR CB C 42 71.457 71.457 70.059 1.398 18507 10377 1 19 . 1 1 42 42 THR H H 42 7.088 7.088 7.708 -0.620 18507 10378 1 19 . 1 1 43 43 LYS N N 43 122.104 122.104 126.006 -3.902 18507 10379 1 19 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.678 -0.006 18507 10380 1 19 . 1 1 43 43 LYS C C 43 174.839 174.839 176.137 -1.298 18507 10381 1 19 . 1 1 43 43 LYS CA C 43 55.293 55.293 55.135 0.158 18507 10382 1 19 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.356 -0.018 18507 10383 1 19 . 1 1 43 43 LYS H H 43 8.466 8.466 8.295 0.171 18507 10384 1 19 . 1 1 44 44 ILE N N 44 128.655 128.655 126.692 1.963 18507 10385 1 19 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.546 0.082 18507 10386 1 19 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.292 0.280 18507 10387 1 19 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.636 1.468 18507 10388 1 19 . 1 1 44 44 ILE H H 44 9.596 9.596 9.149 0.447 18507 10389 1 19 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.450 -0.145 18507 10390 1 19 . 1 1 45 45 PRO C C 45 174.315 174.315 176.086 -1.771 18507 10391 1 19 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.581 0.150 18507 10392 1 19 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.375 -0.129 18507 10393 1 19 . 1 1 46 46 LEU N N 46 122.198 122.198 125.643 -3.445 18507 10394 1 19 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.489 0.024 18507 10395 1 19 . 1 1 46 46 LEU CA C 46 55.553 55.553 54.165 1.388 18507 10396 1 19 . 1 1 46 46 LEU CB C 46 42.810 42.810 43.045 -0.235 18507 10397 1 19 . 1 1 46 46 LEU H H 46 8.157 8.157 7.507 0.650 18507 10398 1 19 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.920 0.430 18507 10399 1 19 . 1 1 47 47 ILE C C 47 175.903 175.903 176.004 -0.101 18507 10400 1 19 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.791 -2.377 18507 10401 1 19 . 1 1 47 47 ILE CB C 47 39.396 39.396 38.214 1.182 18507 10402 1 19 . 1 1 48 48 LYS N N 48 128.033 128.033 129.074 -1.041 18507 10403 1 19 . 1 1 48 48 LYS HA H 48 3.906 3.906 4.083 -0.177 18507 10404 1 19 . 1 1 48 48 LYS C C 48 176.252 176.252 175.819 0.433 18507 10405 1 19 . 1 1 48 48 LYS CA C 48 56.702 56.702 57.052 -0.350 18507 10406 1 19 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.690 -0.094 18507 10407 1 19 . 1 1 48 48 LYS H H 48 8.661 8.661 8.322 0.339 18507 10408 1 19 . 1 1 49 49 SER N N 49 122.194 122.194 118.724 3.470 18507 10409 1 19 . 1 1 49 49 SER HA H 49 4.367 4.367 4.689 -0.322 18507 10410 1 19 . 1 1 49 49 SER CA C 49 56.282 56.282 56.135 0.147 18507 10411 1 19 . 1 1 49 49 SER CB C 49 62.849 62.849 65.668 -2.820 18507 10412 1 19 . 1 1 49 49 SER H H 49 8.638 8.638 8.027 0.611 18507 10413 1 19 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.309 -0.267 18507 10414 1 19 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.081 -0.097 18507 10415 1 19 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.794 -1.897 18507 10416 1 19 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.343 0.372 18507 10417 1 19 . 1 1 51 51 ASN C C 51 174.091 174.091 174.376 -0.285 18507 10418 1 19 . 1 1 51 51 ASN CA C 51 53.776 53.776 53.748 0.028 18507 10419 1 19 . 1 1 51 51 ASN CB C 51 39.134 39.134 38.850 0.284 18507 10420 1 19 . 1 1 52 52 ASP N N 52 119.149 119.149 114.590 4.559 18507 10421 1 19 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.374 0.588 18507 10422 1 19 . 1 1 52 52 ASP C C 52 174.069 174.069 174.178 -0.109 18507 10423 1 19 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.156 0.388 18507 10424 1 19 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.222 1.334 18507 10425 1 19 . 1 1 52 52 ASP H H 52 8.031 8.031 7.439 0.592 18507 10426 1 19 . 1 1 53 53 PHE N N 53 118.169 118.169 116.910 1.259 18507 10427 1 19 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.945 0.205 18507 10428 1 19 . 1 1 53 53 PHE C C 53 175.583 175.583 175.862 -0.279 18507 10429 1 19 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.077 -0.705 18507 10430 1 19 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.480 1.411 18507 10431 1 19 . 1 1 53 53 PHE H H 53 8.534 8.534 8.219 0.315 18507 10432 1 19 . 1 1 54 54 VAL N N 54 118.983 118.983 120.409 -1.426 18507 10433 1 19 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.571 0.754 18507 10434 1 19 . 1 1 54 54 VAL CA C 54 60.134 60.134 61.228 -1.095 18507 10435 1 19 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.681 0.068 18507 10436 1 19 . 1 1 54 54 VAL H H 54 9.324 9.324 8.238 1.086 18507 10437 1 19 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.729 -0.022 18507 10438 1 19 . 1 1 55 55 ALA C C 55 174.786 174.786 175.760 -0.974 18507 10439 1 19 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.253 0.634 18507 10440 1 19 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.068 -0.380 18507 10441 1 19 . 1 1 56 56 ILE N N 56 120.457 120.457 120.234 0.223 18507 10442 1 19 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.330 0.222 18507 10443 1 19 . 1 1 56 56 ILE C C 56 175.419 175.419 174.387 1.032 18507 10444 1 19 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.632 1.290 18507 10445 1 19 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.504 -0.013 18507 10446 1 19 . 1 1 56 56 ILE H H 56 8.239 8.239 8.341 -0.102 18507 10447 1 19 . 1 1 57 57 LEU N N 57 127.392 127.392 123.512 3.880 18507 10448 1 19 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.688 -0.182 18507 10449 1 19 . 1 1 57 57 LEU C C 57 175.108 175.108 175.193 -0.085 18507 10450 1 19 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.691 0.051 18507 10451 1 19 . 1 1 57 57 LEU CB C 57 45.170 45.170 46.044 -0.874 18507 10452 1 19 . 1 1 57 57 LEU H H 57 8.828 8.828 7.908 0.920 18507 10453 1 19 . 1 1 58 58 ASP N N 58 124.255 124.255 120.793 3.462 18507 10454 1 19 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.731 -0.103 18507 10455 1 19 . 1 1 58 58 ASP C C 58 175.066 175.066 175.635 -0.569 18507 10456 1 19 . 1 1 58 58 ASP CA C 58 52.941 52.941 53.950 -1.009 18507 10457 1 19 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.514 -0.807 18507 10458 1 19 . 1 1 58 58 ASP H H 58 8.571 8.571 8.364 0.207 18507 10459 1 19 . 1 1 59 59 LEU N N 59 124.092 124.092 125.121 -1.029 18507 10460 1 19 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.771 -0.236 18507 10461 1 19 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.194 -0.321 18507 10462 1 19 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.258 -0.223 18507 10463 1 19 . 1 1 59 59 LEU H H 59 7.681 7.681 7.850 -0.169 18507 10464 1 19 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.488 0.113 18507 10465 1 19 . 1 1 60 60 PRO C C 60 175.599 175.599 176.192 -0.593 18507 10466 1 19 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.100 -0.618 18507 10467 1 19 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.518 0.150 18507 10468 1 19 . 1 1 61 61 GLU N N 61 119.164 119.164 122.511 -3.347 18507 10469 1 19 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.900 -0.041 18507 10470 1 19 . 1 1 61 61 GLU C C 61 176.121 176.121 175.661 0.460 18507 10471 1 19 . 1 1 61 61 GLU CA C 61 57.458 57.458 58.036 -0.578 18507 10472 1 19 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.249 1.000 18507 10473 1 19 . 1 1 61 61 GLU H H 61 8.500 8.500 8.590 -0.090 18507 10474 1 19 . 1 1 62 62 GLY N N 62 111.529 111.529 114.720 -3.191 18507 10475 1 19 . 1 1 62 62 GLY C C 62 171.313 171.313 171.760 -0.447 18507 10476 1 19 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.127 -1.658 18507 10477 1 19 . 1 1 62 62 GLY H H 62 8.845 8.845 8.464 0.381 18507 10478 1 19 . 1 1 63 63 GLU N N 63 119.100 119.100 122.591 -3.491 18507 10479 1 19 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.574 0.208 18507 10480 1 19 . 1 1 63 63 GLU C C 63 175.530 175.530 174.291 1.239 18507 10481 1 19 . 1 1 63 63 GLU CA C 63 54.978 54.978 55.028 -0.050 18507 10482 1 19 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.163 -0.780 18507 10483 1 19 . 1 1 63 63 GLU H H 63 8.015 8.015 8.103 -0.088 18507 10484 1 19 . 1 1 64 64 HIS N N 64 121.786 121.786 121.013 0.773 18507 10485 1 19 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.066 -0.249 18507 10486 1 19 . 1 1 64 64 HIS C C 64 174.358 174.358 173.505 0.853 18507 10487 1 19 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.795 0.175 18507 10488 1 19 . 1 1 64 64 HIS CB C 64 34.109 34.109 32.804 1.305 18507 10489 1 19 . 1 1 64 64 HIS H H 64 8.830 8.830 8.832 -0.002 18507 10490 1 19 . 1 1 65 65 GLN N N 65 121.667 121.667 118.686 2.981 18507 10491 1 19 . 1 1 65 65 GLN HA H 65 5.761 5.761 5.017 0.744 18507 10492 1 19 . 1 1 65 65 GLN C C 65 175.833 175.833 174.472 1.361 18507 10493 1 19 . 1 1 65 65 GLN CA C 65 53.833 53.833 54.992 -1.159 18507 10494 1 19 . 1 1 65 65 GLN CB C 65 32.265 32.265 32.027 0.238 18507 10495 1 19 . 1 1 65 65 GLN H H 65 8.637 8.637 8.543 0.094 18507 10496 1 19 . 1 1 66 66 TYR N N 66 116.908 116.908 120.384 -3.476 18507 10497 1 19 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.384 -0.209 18507 10498 1 19 . 1 1 66 66 TYR C C 66 171.751 171.751 173.877 -2.126 18507 10499 1 19 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.723 2.260 18507 10500 1 19 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.709 -0.980 18507 10501 1 19 . 1 1 66 66 TYR H H 66 8.894 8.894 7.680 1.214 18507 10502 1 19 . 1 1 67 67 LYS N N 67 118.307 118.307 118.034 0.273 18507 10503 1 19 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.680 -0.047 18507 10504 1 19 . 1 1 67 67 LYS C C 67 173.317 173.317 174.957 -1.640 18507 10505 1 19 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.950 1.925 18507 10506 1 19 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.903 0.297 18507 10507 1 19 . 1 1 67 67 LYS H H 67 8.927 8.927 8.515 0.412 18507 10508 1 19 . 1 1 68 68 PHE N N 68 118.691 118.691 122.444 -3.753 18507 10509 1 19 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.227 0.304 18507 10510 1 19 . 1 1 68 68 PHE C C 68 173.861 173.861 175.385 -1.524 18507 10511 1 19 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.458 0.490 18507 10512 1 19 . 1 1 68 68 PHE CB C 68 41.272 41.272 40.986 0.286 18507 10513 1 19 . 1 1 68 68 PHE H H 68 8.436 8.436 8.292 0.144 18507 10514 1 19 . 1 1 69 69 PHE N N 69 125.718 125.718 124.028 1.690 18507 10515 1 19 . 1 1 69 69 PHE HA H 69 4.723 4.723 5.013 -0.290 18507 10516 1 19 . 1 1 69 69 PHE C C 69 174.574 174.574 173.376 1.198 18507 10517 1 19 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.481 -0.645 18507 10518 1 19 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.510 -0.353 18507 10519 1 19 . 1 1 69 69 PHE H H 69 9.000 9.000 8.693 0.307 18507 10520 1 19 . 1 1 70 70 VAL N N 70 126.808 126.808 125.319 1.489 18507 10521 1 19 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.570 -0.247 18507 10522 1 19 . 1 1 70 70 VAL C C 70 175.641 175.641 175.274 0.367 18507 10523 1 19 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.793 0.715 18507 10524 1 19 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.978 -1.508 18507 10525 1 19 . 1 1 70 70 VAL H H 70 8.688 8.688 8.122 0.566 18507 10526 1 19 . 1 1 71 71 ASP N N 71 128.747 128.747 124.470 4.277 18507 10527 1 19 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.137 0.098 18507 10528 1 19 . 1 1 71 71 ASP C C 71 176.119 176.119 176.290 -0.171 18507 10529 1 19 . 1 1 71 71 ASP CA C 71 55.649 55.649 55.059 0.590 18507 10530 1 19 . 1 1 71 71 ASP CB C 71 39.629 39.629 38.678 0.951 18507 10531 1 19 . 1 1 71 71 ASP H H 71 8.890 8.890 9.212 -0.322 18507 10532 1 19 . 1 1 72 72 GLY N N 72 100.856 100.856 103.416 -2.560 18507 10533 1 19 . 1 1 72 72 GLY C C 72 173.149 173.149 173.131 0.018 18507 10534 1 19 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.101 0.154 18507 10535 1 19 . 1 1 72 72 GLY H H 72 7.437 7.437 8.360 -0.923 18507 10536 1 19 . 1 1 73 73 GLN N N 73 117.716 117.716 114.392 3.324 18507 10537 1 19 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.416 0.064 18507 10538 1 19 . 1 1 73 73 GLN C C 73 173.981 173.981 173.178 0.803 18507 10539 1 19 . 1 1 73 73 GLN CA C 73 53.285 53.285 52.974 0.311 18507 10540 1 19 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.790 1.120 18507 10541 1 19 . 1 1 73 73 GLN H H 73 6.923 6.923 6.690 0.233 18507 10542 1 19 . 1 1 74 74 TRP N N 74 123.738 123.738 121.968 1.770 18507 10543 1 19 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.281 0.532 18507 10544 1 19 . 1 1 74 74 TRP C C 74 177.239 177.239 177.080 0.159 18507 10545 1 19 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.272 -0.484 18507 10546 1 19 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.912 0.006 18507 10547 1 19 . 1 1 74 74 TRP H H 74 8.836 8.836 8.745 0.091 18507 10548 1 19 . 1 1 75 75 VAL N N 75 121.900 121.900 120.835 1.065 18507 10549 1 19 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.784 0.202 18507 10550 1 19 . 1 1 75 75 VAL C C 75 172.903 172.903 173.982 -1.079 18507 10551 1 19 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.174 1.451 18507 10552 1 19 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.607 1.047 18507 10553 1 19 . 1 1 75 75 VAL H H 75 10.049 10.049 8.708 1.341 18507 10554 1 19 . 1 1 76 76 HIS N N 76 119.400 119.400 116.857 2.543 18507 10555 1 19 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.211 0.367 18507 10556 1 19 . 1 1 76 76 HIS C C 76 173.084 173.084 173.620 -0.536 18507 10557 1 19 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.065 0.195 18507 10558 1 19 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.619 0.188 18507 10559 1 19 . 1 1 76 76 HIS H H 76 7.758 7.758 8.134 -0.376 18507 10560 1 19 . 1 1 77 77 ASP N N 77 121.057 121.057 120.785 0.272 18507 10561 1 19 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.087 0.017 18507 10562 1 19 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.903 -0.439 18507 10563 1 19 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.296 -0.027 18507 10564 1 19 . 1 1 77 77 ASP H H 77 10.717 10.717 8.973 1.744 18507 10565 1 19 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.574 -0.039 18507 10566 1 19 . 1 1 78 78 PRO C C 78 177.387 177.387 177.443 -0.056 18507 10567 1 19 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.312 -0.715 18507 10568 1 19 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.192 0.134 18507 10569 1 19 . 1 1 79 79 SER N N 79 116.058 116.058 112.829 3.229 18507 10570 1 19 . 1 1 79 79 SER HA H 79 4.477 4.477 4.483 -0.006 18507 10571 1 19 . 1 1 79 79 SER C C 79 173.819 173.819 174.901 -1.082 18507 10572 1 19 . 1 1 79 79 SER CA C 79 59.369 59.369 59.625 -0.256 18507 10573 1 19 . 1 1 79 79 SER CB C 79 63.875 63.875 63.400 0.475 18507 10574 1 19 . 1 1 79 79 SER H H 79 8.853 8.853 8.347 0.506 18507 10575 1 19 . 1 1 80 80 GLU N N 80 122.620 122.620 120.243 2.377 18507 10576 1 19 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.703 0.256 18507 10577 1 19 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.597 -0.196 18507 10578 1 19 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.024 0.596 18507 10579 1 19 . 1 1 80 80 GLU H H 80 7.332 7.332 7.916 -0.584 18507 10580 1 19 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.433 0.006 18507 10581 1 19 . 1 1 81 81 PRO C C 81 177.020 177.020 175.889 1.131 18507 10582 1 19 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.066 0.630 18507 10583 1 19 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.508 -2.289 18507 10584 1 19 . 1 1 82 82 VAL N N 82 114.720 114.720 117.743 -3.023 18507 10585 1 19 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.830 0.637 18507 10586 1 19 . 1 1 82 82 VAL C C 82 175.787 175.787 175.080 0.707 18507 10587 1 19 . 1 1 82 82 VAL CA C 82 58.599 58.599 60.397 -1.798 18507 10588 1 19 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.780 2.978 18507 10589 1 19 . 1 1 82 82 VAL H H 82 8.221 8.221 7.687 0.534 18507 10590 1 19 . 1 1 83 83 VAL N N 83 117.999 117.999 122.579 -4.580 18507 10591 1 19 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.427 -0.017 18507 10592 1 19 . 1 1 83 83 VAL C C 83 173.384 173.384 174.275 -0.891 18507 10593 1 19 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.726 -1.193 18507 10594 1 19 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.635 -1.330 18507 10595 1 19 . 1 1 83 83 VAL H H 83 8.898 8.898 8.797 0.101 18507 10596 1 19 . 1 1 84 84 THR N N 84 120.469 120.469 123.586 -3.117 18507 10597 1 19 . 1 1 84 84 THR HA H 84 4.751 4.751 4.363 0.388 18507 10598 1 19 . 1 1 84 84 THR C C 84 174.975 174.975 174.008 0.967 18507 10599 1 19 . 1 1 84 84 THR CA C 84 61.446 61.446 62.820 -1.374 18507 10600 1 19 . 1 1 84 84 THR CB C 84 68.959 68.959 68.812 0.147 18507 10601 1 19 . 1 1 84 84 THR H H 84 8.309 8.309 8.369 -0.060 18507 10602 1 19 . 1 1 85 85 SER N N 85 123.544 123.544 120.391 3.153 18507 10603 1 19 . 1 1 85 85 SER HA H 85 4.533 4.533 4.328 0.205 18507 10604 1 19 . 1 1 85 85 SER CA C 85 57.027 57.027 58.605 -1.578 18507 10605 1 19 . 1 1 85 85 SER CB C 85 65.264 65.264 64.305 0.959 18507 10606 1 19 . 1 1 85 85 SER H H 85 9.137 9.137 8.404 0.733 18507 10607 1 19 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.097 -0.005 18507 10608 1 19 . 1 1 86 86 GLN C C 86 176.451 176.451 175.654 0.797 18507 10609 1 19 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.208 -0.138 18507 10610 1 19 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.187 -0.052 18507 10611 1 19 . 1 1 87 87 LEU N N 87 117.032 117.032 119.224 -2.192 18507 10612 1 19 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.417 -0.158 18507 10613 1 19 . 1 1 87 87 LEU C C 87 177.470 177.470 177.438 0.032 18507 10614 1 19 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.346 0.304 18507 10615 1 19 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.118 1.558 18507 10616 1 19 . 1 1 87 87 LEU H H 87 7.692 7.692 7.442 0.250 18507 10617 1 19 . 1 1 88 88 GLY N N 88 107.770 107.770 107.661 0.109 18507 10618 1 19 . 1 1 88 88 GLY C C 88 174.029 174.029 173.938 0.091 18507 10619 1 19 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.826 -0.564 18507 10620 1 19 . 1 1 88 88 GLY H H 88 7.932 7.932 7.890 0.042 18507 10621 1 19 . 1 1 89 89 THR N N 89 112.596 112.596 111.023 1.573 18507 10622 1 19 . 1 1 89 89 THR HA H 89 4.259 4.259 4.523 -0.264 18507 10623 1 19 . 1 1 89 89 THR C C 89 172.837 172.837 174.167 -1.330 18507 10624 1 19 . 1 1 89 89 THR CA C 89 60.743 60.743 59.635 1.108 18507 10625 1 19 . 1 1 89 89 THR CB C 89 69.845 69.845 70.568 -0.723 18507 10626 1 19 . 1 1 89 89 THR H H 89 7.148 7.148 7.361 -0.213 18507 10627 1 19 . 1 1 90 90 ILE N N 90 123.927 123.927 125.621 -1.694 18507 10628 1 19 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.177 0.233 18507 10629 1 19 . 1 1 90 90 ILE C C 90 175.007 175.007 175.491 -0.484 18507 10630 1 19 . 1 1 90 90 ILE CA C 90 60.551 60.551 61.202 -0.651 18507 10631 1 19 . 1 1 90 90 ILE CB C 90 38.935 38.935 37.145 1.790 18507 10632 1 19 . 1 1 90 90 ILE H H 90 8.514 8.514 8.798 -0.284 18507 10633 1 19 . 1 1 91 91 ASN N N 91 123.450 123.450 121.097 2.353 18507 10634 1 19 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.915 0.372 18507 10635 1 19 . 1 1 91 91 ASN C C 91 175.916 175.916 173.504 2.412 18507 10636 1 19 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.977 -1.001 18507 10637 1 19 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.169 1.007 18507 10638 1 19 . 1 1 91 91 ASN H H 91 8.497 8.497 8.708 -0.211 18507 10639 1 19 . 1 1 92 92 ASN N N 92 115.675 115.675 117.230 -1.555 18507 10640 1 19 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.612 0.999 18507 10641 1 19 . 1 1 92 92 ASN C C 92 173.765 173.765 173.687 0.078 18507 10642 1 19 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.775 1.037 18507 10643 1 19 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.087 2.656 18507 10644 1 19 . 1 1 92 92 ASN H H 92 8.721 8.721 8.498 0.223 18507 10645 1 19 . 1 1 93 93 LEU N N 93 120.001 120.001 120.101 -0.100 18507 10646 1 19 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.901 0.436 18507 10647 1 19 . 1 1 93 93 LEU C C 93 175.864 175.864 175.385 0.479 18507 10648 1 19 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.138 -0.616 18507 10649 1 19 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.560 1.563 18507 10650 1 19 . 1 1 93 93 LEU H H 93 7.661 7.661 7.832 -0.171 18507 10651 1 19 . 1 1 94 94 ILE N N 94 124.682 124.682 125.938 -1.256 18507 10652 1 19 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.819 0.028 18507 10653 1 19 . 1 1 94 94 ILE C C 94 172.078 172.078 173.788 -1.710 18507 10654 1 19 . 1 1 94 94 ILE CA C 94 59.351 59.351 59.893 -0.542 18507 10655 1 19 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.497 -0.406 18507 10656 1 19 . 1 1 94 94 ILE H H 94 9.282 9.282 9.402 -0.120 18507 10657 1 19 . 1 1 95 95 HIS N N 95 126.782 126.782 126.482 0.300 18507 10658 1 19 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.097 0.013 18507 10659 1 19 . 1 1 95 95 HIS C C 95 174.655 174.655 174.158 0.497 18507 10660 1 19 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.755 -0.421 18507 10661 1 19 . 1 1 95 95 HIS CB C 95 31.399 31.399 31.316 0.083 18507 10662 1 19 . 1 1 95 95 HIS H H 95 8.690 8.690 8.725 -0.035 18507 10663 1 19 . 1 1 96 96 VAL N N 96 128.616 128.616 124.393 4.223 18507 10664 1 19 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.332 -0.217 18507 10665 1 19 . 1 1 96 96 VAL C C 96 175.515 175.515 175.131 0.384 18507 10666 1 19 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.831 0.671 18507 10667 1 19 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.324 -0.992 18507 10668 1 19 . 1 1 96 96 VAL H H 96 9.082 9.082 8.599 0.483 18507 10669 1 19 . 1 1 97 97 LYS N N 97 128.692 128.692 124.750 3.942 18507 10670 1 19 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.737 -0.187 18507 10671 1 19 . 1 1 97 97 LYS C C 97 176.019 176.019 175.069 0.950 18507 10672 1 19 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.453 0.638 18507 10673 1 19 . 1 1 97 97 LYS CB C 97 34.588 34.588 34.836 -0.248 18507 10674 1 19 . 1 1 97 97 LYS H H 97 8.708 8.708 8.260 0.448 18507 10675 1 19 . 1 1 98 98 LYS N N 98 122.635 122.635 121.208 1.427 18507 10676 1 19 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.355 -0.233 18507 10677 1 19 . 1 1 98 98 LYS C C 98 176.947 176.947 176.348 0.599 18507 10678 1 19 . 1 1 98 98 LYS CA C 98 57.232 57.232 56.539 0.693 18507 10679 1 19 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.143 -0.294 18507 10680 1 19 . 1 1 98 98 LYS H H 98 8.717 8.717 8.321 0.396 18507 10681 1 19 . 1 1 99 99 SER N N 99 116.737 116.737 115.202 1.535 18507 10682 1 19 . 1 1 99 99 SER HA H 99 4.357 4.357 4.730 -0.373 18507 10683 1 19 . 1 1 99 99 SER C C 99 174.335 174.335 174.122 0.213 18507 10684 1 19 . 1 1 99 99 SER CA C 99 58.240 58.240 57.809 0.431 18507 10685 1 19 . 1 1 99 99 SER CB C 99 63.664 63.664 63.395 0.269 18507 10686 1 19 . 1 1 99 99 SER H H 99 8.393 8.393 8.690 -0.297 18507 10687 1 19 . 1 1 100 100 ASP N N 100 122.287 122.287 119.764 2.523 18507 10688 1 19 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.700 -0.174 18507 10689 1 19 . 1 1 100 100 ASP C C 100 175.823 175.823 176.007 -0.184 18507 10690 1 19 . 1 1 100 100 ASP CA C 100 54.813 54.813 55.411 -0.598 18507 10691 1 19 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.077 -0.139 18507 10692 1 19 . 1 1 100 100 ASP H H 100 8.288 8.288 8.350 -0.062 18507 10693 1 19 . 1 1 101 101 PHE N N 101 118.668 118.668 118.702 -0.034 18507 10694 1 19 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.209 0.366 18507 10695 1 19 . 1 1 101 101 PHE C C 101 175.279 175.279 177.015 -1.736 18507 10696 1 19 . 1 1 101 101 PHE CA C 101 57.462 57.462 60.804 -3.342 18507 10697 1 19 . 1 1 101 101 PHE CB C 101 39.557 39.557 39.736 -0.179 18507 10698 1 19 . 1 1 101 101 PHE H H 101 7.923 7.923 8.185 -0.262 18507 10699 1 19 . 1 1 102 102 GLU N N 102 122.081 122.081 117.887 4.194 18507 10700 1 19 . 1 1 102 102 GLU HA H 102 4.180 4.180 4.235 -0.055 18507 10701 1 19 . 1 1 102 102 GLU C C 102 175.388 175.388 176.451 -1.063 18507 10702 1 19 . 1 1 102 102 GLU CA C 102 56.308 56.308 58.017 -1.709 18507 10703 1 19 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.962 0.623 18507 10704 1 19 . 1 1 102 102 GLU H H 102 8.138 8.138 8.754 -0.616 18507 10705 1 19 . 1 1 103 103 VAL N N 103 120.545 120.545 119.743 0.802 18507 10706 1 19 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.981 0.043 18507 10707 1 19 . 1 1 103 103 VAL C C 103 175.359 175.359 175.639 -0.280 18507 10708 1 19 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.945 -0.272 18507 10709 1 19 . 1 1 103 103 VAL CB C 103 33.098 33.098 31.999 1.099 18507 10710 1 19 . 1 1 103 103 VAL H H 103 7.934 7.934 7.524 0.410 18507 10711 1 19 . 1 1 104 104 PHE N N 104 124.359 124.359 124.316 0.043 18507 10712 1 19 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.534 0.161 18507 10713 1 19 . 1 1 104 104 PHE C C 104 174.530 174.530 175.878 -1.348 18507 10714 1 19 . 1 1 104 104 PHE CA C 104 57.140 57.140 58.373 -1.233 18507 10715 1 19 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.188 0.776 18507 10716 1 19 . 1 1 104 104 PHE H H 104 8.340 8.340 8.406 -0.066 18507 10717 1 20 . 1 1 2 2 ALA N N 2 129.609 129.609 123.624 5.985 18507 10718 1 20 . 1 1 2 2 ALA HA H 2 4.336 4.336 3.970 0.366 18507 10719 1 20 . 1 1 2 2 ALA C C 2 177.730 177.730 177.609 0.121 18507 10720 1 20 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.331 0.259 18507 10721 1 20 . 1 1 2 2 ALA CB C 2 19.509 19.509 18.090 1.419 18507 10722 1 20 . 1 1 2 2 ALA H H 2 8.252 8.252 8.192 0.060 18507 10723 1 20 . 1 1 3 3 MET N N 3 119.597 119.597 118.215 1.382 18507 10724 1 20 . 1 1 3 3 MET HA H 3 4.457 4.457 4.305 0.152 18507 10725 1 20 . 1 1 3 3 MET C C 3 176.640 176.640 177.527 -0.887 18507 10726 1 20 . 1 1 3 3 MET CA C 3 55.433 55.433 55.737 -0.304 18507 10727 1 20 . 1 1 3 3 MET CB C 3 32.141 32.141 32.387 -0.246 18507 10728 1 20 . 1 1 3 3 MET H H 3 8.526 8.526 8.286 0.240 18507 10729 1 20 . 1 1 4 4 GLY N N 4 110.104 110.104 107.540 2.564 18507 10730 1 20 . 1 1 4 4 GLY C C 4 173.846 173.846 173.770 0.076 18507 10731 1 20 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.005 1.284 18507 10732 1 20 . 1 1 4 4 GLY H H 4 8.388 8.388 7.630 0.758 18507 10733 1 20 . 1 1 5 5 ILE N N 5 120.177 120.177 119.682 0.495 18507 10734 1 20 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.058 0.084 18507 10735 1 20 . 1 1 5 5 ILE C C 5 176.245 176.245 175.880 0.365 18507 10736 1 20 . 1 1 5 5 ILE CA C 5 60.706 60.706 61.440 -0.734 18507 10737 1 20 . 1 1 5 5 ILE CB C 5 38.686 38.686 38.511 0.175 18507 10738 1 20 . 1 1 5 5 ILE H H 5 7.995 7.995 8.288 -0.293 18507 10739 1 20 . 1 1 6 6 ARG N N 6 125.295 125.295 128.362 -3.067 18507 10740 1 20 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.661 -0.314 18507 10741 1 20 . 1 1 6 6 ARG C C 6 174.908 174.908 175.027 -0.119 18507 10742 1 20 . 1 1 6 6 ARG CA C 6 55.812 55.812 54.621 1.190 18507 10743 1 20 . 1 1 6 6 ARG CB C 6 30.829 30.829 32.398 -1.569 18507 10744 1 20 . 1 1 6 6 ARG H H 6 8.451 8.451 8.394 0.057 18507 10745 1 20 . 1 1 7 7 ASN N N 7 125.979 125.979 119.039 6.940 18507 10746 1 20 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.578 -0.095 18507 10747 1 20 . 1 1 7 7 ASN C C 7 175.993 175.993 176.031 -0.038 18507 10748 1 20 . 1 1 7 7 ASN CA C 7 54.699 54.699 53.798 0.901 18507 10749 1 20 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.035 1.709 18507 10750 1 20 . 1 1 7 7 ASN H H 7 8.072 8.072 8.556 -0.484 18507 10751 1 20 . 1 1 8 8 SER N N 8 120.939 120.939 112.902 8.037 18507 10752 1 20 . 1 1 8 8 SER C C 8 174.402 174.402 174.123 0.279 18507 10753 1 20 . 1 1 8 8 SER CA C 8 58.678 58.678 59.329 -0.651 18507 10754 1 20 . 1 1 8 8 SER CB C 8 63.735 63.735 62.380 1.355 18507 10755 1 20 . 1 1 8 8 SER H H 8 8.363 8.363 8.566 -0.203 18507 10756 1 20 . 1 1 9 9 ASP N N 9 122.169 122.169 121.336 0.833 18507 10757 1 20 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.517 0.095 18507 10758 1 20 . 1 1 9 9 ASP C C 9 176.302 176.302 176.188 0.114 18507 10759 1 20 . 1 1 9 9 ASP CA C 9 54.667 54.667 55.404 -0.737 18507 10760 1 20 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.170 -0.078 18507 10761 1 20 . 1 1 9 9 ASP H H 9 8.334 8.334 8.510 -0.176 18507 10762 1 20 . 1 1 10 10 SER N N 10 115.330 115.330 113.951 1.379 18507 10763 1 20 . 1 1 10 10 SER HA H 10 4.408 4.408 4.285 0.123 18507 10764 1 20 . 1 1 10 10 SER C C 10 174.338 174.338 173.387 0.951 18507 10765 1 20 . 1 1 10 10 SER CA C 10 58.421 58.421 58.444 -0.023 18507 10766 1 20 . 1 1 10 10 SER CB C 10 63.749 63.749 63.534 0.215 18507 10767 1 20 . 1 1 10 10 SER H H 10 8.130 8.130 7.916 0.214 18507 10768 1 20 . 1 1 11 11 VAL N N 11 121.719 121.719 124.012 -2.293 18507 10769 1 20 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.261 -0.173 18507 10770 1 20 . 1 1 11 11 VAL C C 11 175.837 175.837 174.829 1.008 18507 10771 1 20 . 1 1 11 11 VAL CA C 11 61.972 61.972 62.364 -0.392 18507 10772 1 20 . 1 1 11 11 VAL CB C 11 32.508 32.508 32.000 0.508 18507 10773 1 20 . 1 1 11 11 VAL H H 11 8.040 8.040 8.419 -0.379 18507 10774 1 20 . 1 1 12 12 LYS N N 12 126.544 126.544 127.765 -1.221 18507 10775 1 20 . 1 1 12 12 LYS H H 12 8.349 8.349 8.535 -0.186 18507 10776 1 20 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.368 0.091 18507 10777 1 20 . 1 1 13 13 PRO C C 13 177.038 177.038 176.738 0.300 18507 10778 1 20 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.420 -0.552 18507 10779 1 20 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.717 0.465 18507 10780 1 20 . 1 1 14 14 THR N N 14 114.515 114.515 114.711 -0.196 18507 10781 1 20 . 1 1 14 14 THR HA H 14 4.255 4.255 4.364 -0.109 18507 10782 1 20 . 1 1 14 14 THR C C 14 174.477 174.477 174.245 0.232 18507 10783 1 20 . 1 1 14 14 THR CA C 14 61.813 61.813 61.667 0.146 18507 10784 1 20 . 1 1 14 14 THR CB C 14 69.675 69.675 68.332 1.343 18507 10785 1 20 . 1 1 14 14 THR H H 14 8.234 8.234 7.699 0.535 18507 10786 1 20 . 1 1 15 15 GLN N N 15 122.586 122.586 121.744 0.842 18507 10787 1 20 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.379 -0.033 18507 10788 1 20 . 1 1 15 15 GLN C C 15 175.452 175.452 175.064 0.388 18507 10789 1 20 . 1 1 15 15 GLN CA C 15 55.562 55.562 55.682 -0.120 18507 10790 1 20 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.601 -0.066 18507 10791 1 20 . 1 1 15 15 GLN H H 15 8.380 8.380 8.000 0.380 18507 10792 1 20 . 1 1 16 16 GLN N N 16 122.137 122.137 125.109 -2.972 18507 10793 1 20 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.438 -0.178 18507 10794 1 20 . 1 1 16 16 GLN C C 16 175.050 175.050 174.135 0.915 18507 10795 1 20 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.486 0.056 18507 10796 1 20 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.630 0.096 18507 10797 1 20 . 1 1 16 16 GLN H H 16 8.457 8.457 8.623 -0.166 18507 10798 1 20 . 1 1 17 17 ALA N N 17 125.292 125.292 125.077 0.215 18507 10799 1 20 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.486 -0.175 18507 10800 1 20 . 1 1 17 17 ALA C C 17 176.628 176.628 175.946 0.682 18507 10801 1 20 . 1 1 17 17 ALA CA C 17 51.712 51.712 52.151 -0.439 18507 10802 1 20 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.819 -0.852 18507 10803 1 20 . 1 1 17 17 ALA H H 17 8.323 8.323 8.432 -0.109 18507 10804 1 20 . 1 1 18 18 ARG N N 18 122.106 122.106 121.322 0.784 18507 10805 1 20 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.700 -0.079 18507 10806 1 20 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.549 -0.323 18507 10807 1 20 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.589 0.186 18507 10808 1 20 . 1 1 18 18 ARG H H 18 8.591 8.591 8.635 -0.044 18507 10809 1 20 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.479 0.105 18507 10810 1 20 . 1 1 19 19 PRO C C 19 176.098 176.098 176.312 -0.214 18507 10811 1 20 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.457 0.504 18507 10812 1 20 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.274 -0.129 18507 10813 1 20 . 1 1 20 20 THR N N 20 121.694 121.694 113.575 8.119 18507 10814 1 20 . 1 1 20 20 THR HA H 20 4.228 4.228 4.362 -0.134 18507 10815 1 20 . 1 1 20 20 THR C C 20 172.413 172.413 174.111 -1.698 18507 10816 1 20 . 1 1 20 20 THR CA C 20 62.891 62.891 60.133 2.759 18507 10817 1 20 . 1 1 20 20 THR CB C 20 71.036 71.036 70.270 0.766 18507 10818 1 20 . 1 1 20 20 THR H H 20 9.046 9.046 8.182 0.864 18507 10819 1 20 . 1 1 21 21 VAL N N 21 127.141 127.141 126.453 0.688 18507 10820 1 20 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.192 0.355 18507 10821 1 20 . 1 1 21 21 VAL C C 21 175.345 175.345 174.571 0.774 18507 10822 1 20 . 1 1 21 21 VAL CA C 21 61.780 61.780 62.131 -0.351 18507 10823 1 20 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.043 1.216 18507 10824 1 20 . 1 1 21 21 VAL H H 21 8.572 8.572 8.352 0.220 18507 10825 1 20 . 1 1 22 22 ILE N N 22 130.341 130.341 127.632 2.709 18507 10826 1 20 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.497 -0.204 18507 10827 1 20 . 1 1 22 22 ILE C C 22 173.794 173.794 174.268 -0.474 18507 10828 1 20 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.596 -1.145 18507 10829 1 20 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.661 -2.997 18507 10830 1 20 . 1 1 22 22 ILE H H 22 8.913 8.913 8.139 0.774 18507 10831 1 20 . 1 1 23 23 ARG N N 23 125.596 125.596 125.282 0.314 18507 10832 1 20 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.107 0.402 18507 10833 1 20 . 1 1 23 23 ARG C C 23 174.125 174.125 174.573 -0.448 18507 10834 1 20 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.334 -1.329 18507 10835 1 20 . 1 1 23 23 ARG CB C 23 34.584 34.584 31.965 2.619 18507 10836 1 20 . 1 1 23 23 ARG H H 23 8.595 8.595 8.614 -0.019 18507 10837 1 20 . 1 1 24 24 TRP N N 24 123.124 123.124 127.500 -4.376 18507 10838 1 20 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.803 -0.016 18507 10839 1 20 . 1 1 24 24 TRP C C 24 177.208 177.208 173.768 3.440 18507 10840 1 20 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.050 -0.076 18507 10841 1 20 . 1 1 24 24 TRP CB C 24 32.407 32.407 31.736 0.671 18507 10842 1 20 . 1 1 24 24 TRP H H 24 9.098 9.098 8.622 0.476 18507 10843 1 20 . 1 1 25 25 SER N N 25 123.623 123.623 121.378 2.245 18507 10844 1 20 . 1 1 25 25 SER HA H 25 4.827 4.827 4.502 0.325 18507 10845 1 20 . 1 1 25 25 SER CA C 25 58.442 58.442 57.030 1.412 18507 10846 1 20 . 1 1 25 25 SER CB C 25 63.993 63.993 63.835 0.158 18507 10847 1 20 . 1 1 25 25 SER H H 25 8.837 8.837 7.966 0.871 18507 10848 1 20 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.458 -0.317 18507 10849 1 20 . 1 1 26 26 GLU C C 26 175.915 175.915 176.028 -0.113 18507 10850 1 20 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.533 -1.269 18507 10851 1 20 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.506 -1.222 18507 10852 1 20 . 1 1 27 27 GLY N N 27 109.186 109.186 107.775 1.411 18507 10853 1 20 . 1 1 27 27 GLY C C 27 173.380 173.380 174.736 -1.356 18507 10854 1 20 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.227 -0.595 18507 10855 1 20 . 1 1 27 27 GLY H H 27 8.434 8.434 8.768 -0.334 18507 10856 1 20 . 1 1 28 28 GLY N N 28 106.478 106.478 108.591 -2.113 18507 10857 1 20 . 1 1 28 28 GLY C C 28 172.572 172.572 174.976 -2.404 18507 10858 1 20 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.343 -0.646 18507 10859 1 20 . 1 1 28 28 GLY H H 28 7.948 7.948 7.893 0.055 18507 10860 1 20 . 1 1 29 29 LYS N N 29 120.742 120.742 118.254 2.488 18507 10861 1 20 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.482 0.133 18507 10862 1 20 . 1 1 29 29 LYS C C 29 177.173 177.173 176.243 0.930 18507 10863 1 20 . 1 1 29 29 LYS CA C 29 57.951 57.951 57.084 0.867 18507 10864 1 20 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.527 0.308 18507 10865 1 20 . 1 1 29 29 LYS H H 29 10.077 10.077 8.279 1.798 18507 10866 1 20 . 1 1 30 30 GLU N N 30 121.578 121.578 118.060 3.518 18507 10867 1 20 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.430 -0.233 18507 10868 1 20 . 1 1 30 30 GLU C C 30 173.541 173.541 173.638 -0.097 18507 10869 1 20 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.338 0.642 18507 10870 1 20 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.928 0.545 18507 10871 1 20 . 1 1 30 30 GLU H H 30 8.810 8.810 7.677 1.133 18507 10872 1 20 . 1 1 31 31 VAL N N 31 124.182 124.182 121.938 2.244 18507 10873 1 20 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.566 -0.026 18507 10874 1 20 . 1 1 31 31 VAL C C 31 173.552 173.552 174.216 -0.664 18507 10875 1 20 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.933 0.302 18507 10876 1 20 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.416 1.845 18507 10877 1 20 . 1 1 31 31 VAL H H 31 7.704 7.704 8.248 -0.544 18507 10878 1 20 . 1 1 32 32 PHE N N 32 123.930 123.930 124.792 -0.862 18507 10879 1 20 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.385 0.182 18507 10880 1 20 . 1 1 32 32 PHE C C 32 174.872 174.872 174.370 0.502 18507 10881 1 20 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.445 -1.460 18507 10882 1 20 . 1 1 32 32 PHE CB C 32 44.349 44.349 44.053 0.296 18507 10883 1 20 . 1 1 32 32 PHE H H 32 8.856 8.856 8.124 0.732 18507 10884 1 20 . 1 1 33 33 ILE N N 33 116.493 116.493 121.329 -4.836 18507 10885 1 20 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.495 -0.015 18507 10886 1 20 . 1 1 33 33 ILE C C 33 174.067 174.067 174.144 -0.077 18507 10887 1 20 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.172 0.336 18507 10888 1 20 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.803 1.491 18507 10889 1 20 . 1 1 33 33 ILE H H 33 9.316 9.316 9.205 0.111 18507 10890 1 20 . 1 1 34 34 SER N N 34 116.962 116.962 121.468 -4.506 18507 10891 1 20 . 1 1 34 34 SER HA H 34 4.496 4.496 4.797 -0.301 18507 10892 1 20 . 1 1 34 34 SER C C 34 170.691 170.691 172.010 -1.319 18507 10893 1 20 . 1 1 34 34 SER CA C 34 57.343 57.343 57.208 0.135 18507 10894 1 20 . 1 1 34 34 SER CB C 34 67.249 67.249 65.293 1.956 18507 10895 1 20 . 1 1 34 34 SER H H 34 8.518 8.518 8.568 -0.050 18507 10896 1 20 . 1 1 35 35 GLY N N 35 106.806 106.806 109.226 -2.420 18507 10897 1 20 . 1 1 35 35 GLY C C 35 172.451 172.451 172.272 0.179 18507 10898 1 20 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.447 1.614 18507 10899 1 20 . 1 1 35 35 GLY H H 35 7.200 7.200 7.115 0.084 18507 10900 1 20 . 1 1 36 36 SER N N 36 115.550 115.550 116.029 -0.479 18507 10901 1 20 . 1 1 36 36 SER HA H 36 3.388 3.388 4.286 -0.898 18507 10902 1 20 . 1 1 36 36 SER C C 36 177.094 177.094 176.968 0.126 18507 10903 1 20 . 1 1 36 36 SER CA C 36 60.882 60.882 60.901 -0.019 18507 10904 1 20 . 1 1 36 36 SER CB C 36 61.978 61.978 63.478 -1.500 18507 10905 1 20 . 1 1 36 36 SER H H 36 8.952 8.952 7.866 1.086 18507 10906 1 20 . 1 1 37 37 PHE N N 37 118.633 118.633 117.815 0.818 18507 10907 1 20 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.289 0.172 18507 10908 1 20 . 1 1 37 37 PHE C C 37 175.254 175.254 175.497 -0.243 18507 10909 1 20 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.237 -1.481 18507 10910 1 20 . 1 1 37 37 PHE CB C 37 37.763 37.763 38.056 -0.293 18507 10911 1 20 . 1 1 37 37 PHE H H 37 6.475 6.475 8.003 -1.528 18507 10912 1 20 . 1 1 38 38 ASN N N 38 119.885 119.885 116.142 3.743 18507 10913 1 20 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.676 0.264 18507 10914 1 20 . 1 1 38 38 ASN C C 38 175.954 175.954 174.974 0.980 18507 10915 1 20 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.773 -0.492 18507 10916 1 20 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.756 -2.555 18507 10917 1 20 . 1 1 38 38 ASN H H 38 6.610 6.610 6.972 -0.362 18507 10918 1 20 . 1 1 39 39 ASN N N 39 117.264 117.264 118.450 -1.186 18507 10919 1 20 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.474 -0.164 18507 10920 1 20 . 1 1 39 39 ASN C C 39 173.171 173.171 174.875 -1.704 18507 10921 1 20 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.461 0.327 18507 10922 1 20 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.159 -0.165 18507 10923 1 20 . 1 1 39 39 ASN H H 39 7.822 7.822 7.843 -0.021 18507 10924 1 20 . 1 1 40 40 TRP N N 40 113.463 113.463 113.309 0.154 18507 10925 1 20 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.155 -0.154 18507 10926 1 20 . 1 1 40 40 TRP C C 40 177.457 177.457 176.867 0.590 18507 10927 1 20 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.946 -0.361 18507 10928 1 20 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.422 -1.635 18507 10929 1 20 . 1 1 40 40 TRP H H 40 8.300 8.300 7.713 0.587 18507 10930 1 20 . 1 1 41 41 SER N N 41 113.321 113.321 114.254 -0.933 18507 10931 1 20 . 1 1 41 41 SER HA H 41 4.216 4.216 4.573 -0.357 18507 10932 1 20 . 1 1 41 41 SER C C 41 174.913 174.913 173.547 1.366 18507 10933 1 20 . 1 1 41 41 SER CA C 41 60.460 60.460 58.573 1.887 18507 10934 1 20 . 1 1 41 41 SER CB C 41 64.591 64.591 64.022 0.569 18507 10935 1 20 . 1 1 41 41 SER H H 41 7.549 7.549 8.308 -0.759 18507 10936 1 20 . 1 1 42 42 THR N N 42 112.097 112.097 114.125 -2.028 18507 10937 1 20 . 1 1 42 42 THR HA H 42 4.576 4.576 4.440 0.136 18507 10938 1 20 . 1 1 42 42 THR C C 42 174.798 174.798 172.341 2.457 18507 10939 1 20 . 1 1 42 42 THR CA C 42 59.920 59.920 61.332 -1.412 18507 10940 1 20 . 1 1 42 42 THR CB C 42 71.457 71.457 70.063 1.394 18507 10941 1 20 . 1 1 42 42 THR H H 42 7.088 7.088 7.732 -0.644 18507 10942 1 20 . 1 1 43 43 LYS N N 43 122.104 122.104 126.920 -4.816 18507 10943 1 20 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.693 -0.021 18507 10944 1 20 . 1 1 43 43 LYS C C 43 174.839 174.839 176.102 -1.263 18507 10945 1 20 . 1 1 43 43 LYS CA C 43 55.293 55.293 55.304 -0.011 18507 10946 1 20 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.353 -0.015 18507 10947 1 20 . 1 1 43 43 LYS H H 43 8.466 8.466 8.352 0.114 18507 10948 1 20 . 1 1 44 44 ILE N N 44 128.655 128.655 126.716 1.939 18507 10949 1 20 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.529 0.099 18507 10950 1 20 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.263 0.309 18507 10951 1 20 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.602 1.502 18507 10952 1 20 . 1 1 44 44 ILE H H 44 9.596 9.596 9.146 0.450 18507 10953 1 20 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.405 -0.100 18507 10954 1 20 . 1 1 45 45 PRO C C 45 174.315 174.315 176.111 -1.796 18507 10955 1 20 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.551 0.180 18507 10956 1 20 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.276 -0.030 18507 10957 1 20 . 1 1 46 46 LEU N N 46 122.198 122.198 126.203 -4.005 18507 10958 1 20 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.490 0.023 18507 10959 1 20 . 1 1 46 46 LEU CA C 46 55.553 55.553 54.209 1.344 18507 10960 1 20 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.524 0.286 18507 10961 1 20 . 1 1 46 46 LEU H H 46 8.157 8.157 7.502 0.655 18507 10962 1 20 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.837 0.513 18507 10963 1 20 . 1 1 47 47 ILE C C 47 175.903 175.903 175.877 0.026 18507 10964 1 20 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.536 -2.122 18507 10965 1 20 . 1 1 47 47 ILE CB C 47 39.396 39.396 37.847 1.549 18507 10966 1 20 . 1 1 48 48 LYS N N 48 128.033 128.033 128.982 -0.949 18507 10967 1 20 . 1 1 48 48 LYS HA H 48 3.906 3.906 4.071 -0.165 18507 10968 1 20 . 1 1 48 48 LYS C C 48 176.252 176.252 175.910 0.342 18507 10969 1 20 . 1 1 48 48 LYS CA C 48 56.702 56.702 57.293 -0.591 18507 10970 1 20 . 1 1 48 48 LYS CB C 48 32.596 32.596 33.026 -0.430 18507 10971 1 20 . 1 1 48 48 LYS H H 48 8.661 8.661 8.445 0.216 18507 10972 1 20 . 1 1 49 49 SER N N 49 122.194 122.194 118.598 3.596 18507 10973 1 20 . 1 1 49 49 SER HA H 49 4.367 4.367 4.634 -0.267 18507 10974 1 20 . 1 1 49 49 SER CA C 49 56.282 56.282 56.784 -0.502 18507 10975 1 20 . 1 1 49 49 SER CB C 49 62.849 62.849 64.589 -1.740 18507 10976 1 20 . 1 1 49 49 SER H H 49 8.638 8.638 8.211 0.427 18507 10977 1 20 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.430 -0.388 18507 10978 1 20 . 1 1 50 50 HIS CA C 50 57.984 57.984 57.057 0.927 18507 10979 1 20 . 1 1 50 50 HIS CB C 50 27.897 27.897 30.258 -2.361 18507 10980 1 20 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.690 0.025 18507 10981 1 20 . 1 1 51 51 ASN C C 51 174.091 174.091 175.178 -1.087 18507 10982 1 20 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.009 -0.233 18507 10983 1 20 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.787 -0.653 18507 10984 1 20 . 1 1 52 52 ASP N N 52 119.149 119.149 114.750 4.399 18507 10985 1 20 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.454 0.508 18507 10986 1 20 . 1 1 52 52 ASP C C 52 174.069 174.069 174.760 -0.691 18507 10987 1 20 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.029 0.515 18507 10988 1 20 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.145 1.411 18507 10989 1 20 . 1 1 52 52 ASP H H 52 8.031 8.031 7.578 0.453 18507 10990 1 20 . 1 1 53 53 PHE N N 53 118.169 118.169 116.562 1.607 18507 10991 1 20 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.665 0.485 18507 10992 1 20 . 1 1 53 53 PHE C C 53 175.583 175.583 175.634 -0.051 18507 10993 1 20 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.248 -0.876 18507 10994 1 20 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.339 1.552 18507 10995 1 20 . 1 1 53 53 PHE H H 53 8.534 8.534 8.115 0.419 18507 10996 1 20 . 1 1 54 54 VAL N N 54 118.983 118.983 119.797 -0.814 18507 10997 1 20 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.507 0.818 18507 10998 1 20 . 1 1 54 54 VAL CA C 54 60.134 60.134 61.206 -1.072 18507 10999 1 20 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.721 0.028 18507 11000 1 20 . 1 1 54 54 VAL H H 54 9.324 9.324 8.084 1.240 18507 11001 1 20 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.718 -0.011 18507 11002 1 20 . 1 1 55 55 ALA C C 55 174.786 174.786 175.593 -0.807 18507 11003 1 20 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.229 0.658 18507 11004 1 20 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.103 -0.415 18507 11005 1 20 . 1 1 56 56 ILE N N 56 120.457 120.457 120.251 0.206 18507 11006 1 20 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.331 0.221 18507 11007 1 20 . 1 1 56 56 ILE C C 56 175.419 175.419 174.377 1.042 18507 11008 1 20 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.596 1.327 18507 11009 1 20 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.716 -0.225 18507 11010 1 20 . 1 1 56 56 ILE H H 56 8.239 8.239 8.332 -0.093 18507 11011 1 20 . 1 1 57 57 LEU N N 57 127.392 127.392 123.304 4.088 18507 11012 1 20 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.692 -0.186 18507 11013 1 20 . 1 1 57 57 LEU C C 57 175.108 175.108 175.214 -0.106 18507 11014 1 20 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.624 0.118 18507 11015 1 20 . 1 1 57 57 LEU CB C 57 45.170 45.170 46.069 -0.899 18507 11016 1 20 . 1 1 57 57 LEU H H 57 8.828 8.828 7.914 0.914 18507 11017 1 20 . 1 1 58 58 ASP N N 58 124.255 124.255 120.598 3.657 18507 11018 1 20 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.688 -0.060 18507 11019 1 20 . 1 1 58 58 ASP C C 58 175.066 175.066 175.669 -0.603 18507 11020 1 20 . 1 1 58 58 ASP CA C 58 52.941 52.941 53.984 -1.043 18507 11021 1 20 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.291 -0.584 18507 11022 1 20 . 1 1 58 58 ASP H H 58 8.571 8.571 8.379 0.192 18507 11023 1 20 . 1 1 59 59 LEU N N 59 124.092 124.092 125.028 -0.936 18507 11024 1 20 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.769 -0.234 18507 11025 1 20 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.276 -0.403 18507 11026 1 20 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.032 0.002 18507 11027 1 20 . 1 1 59 59 LEU H H 59 7.681 7.681 8.200 -0.519 18507 11028 1 20 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.484 0.117 18507 11029 1 20 . 1 1 60 60 PRO C C 60 175.599 175.599 176.112 -0.513 18507 11030 1 20 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.069 -0.587 18507 11031 1 20 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.613 0.055 18507 11032 1 20 . 1 1 61 61 GLU N N 61 119.164 119.164 121.821 -2.657 18507 11033 1 20 . 1 1 61 61 GLU HA H 61 3.859 3.859 3.914 -0.055 18507 11034 1 20 . 1 1 61 61 GLU C C 61 176.121 176.121 175.864 0.257 18507 11035 1 20 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.714 -0.256 18507 11036 1 20 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.249 1.000 18507 11037 1 20 . 1 1 61 61 GLU H H 61 8.500 8.500 8.575 -0.075 18507 11038 1 20 . 1 1 62 62 GLY N N 62 111.529 111.529 114.914 -3.385 18507 11039 1 20 . 1 1 62 62 GLY C C 62 171.313 171.313 171.633 -0.320 18507 11040 1 20 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.104 -1.635 18507 11041 1 20 . 1 1 62 62 GLY H H 62 8.845 8.845 8.238 0.607 18507 11042 1 20 . 1 1 63 63 GLU N N 63 119.100 119.100 122.511 -3.411 18507 11043 1 20 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.748 0.034 18507 11044 1 20 . 1 1 63 63 GLU C C 63 175.530 175.530 174.474 1.056 18507 11045 1 20 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.980 -0.002 18507 11046 1 20 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.582 -1.199 18507 11047 1 20 . 1 1 63 63 GLU H H 63 8.015 8.015 8.220 -0.205 18507 11048 1 20 . 1 1 64 64 HIS N N 64 121.786 121.786 121.500 0.286 18507 11049 1 20 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.098 -0.281 18507 11050 1 20 . 1 1 64 64 HIS C C 64 174.358 174.358 173.554 0.804 18507 11051 1 20 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.711 0.259 18507 11052 1 20 . 1 1 64 64 HIS CB C 64 34.109 34.109 32.962 1.147 18507 11053 1 20 . 1 1 64 64 HIS H H 64 8.830 8.830 8.922 -0.092 18507 11054 1 20 . 1 1 65 65 GLN N N 65 121.667 121.667 119.080 2.587 18507 11055 1 20 . 1 1 65 65 GLN HA H 65 5.761 5.761 5.015 0.746 18507 11056 1 20 . 1 1 65 65 GLN C C 65 175.833 175.833 174.590 1.243 18507 11057 1 20 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.049 -1.216 18507 11058 1 20 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.719 0.546 18507 11059 1 20 . 1 1 65 65 GLN H H 65 8.637 8.637 8.711 -0.074 18507 11060 1 20 . 1 1 66 66 TYR N N 66 116.908 116.908 120.678 -3.770 18507 11061 1 20 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.295 -0.120 18507 11062 1 20 . 1 1 66 66 TYR C C 66 171.751 171.751 173.735 -1.984 18507 11063 1 20 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.767 2.216 18507 11064 1 20 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.689 -0.959 18507 11065 1 20 . 1 1 66 66 TYR H H 66 8.894 8.894 7.763 1.131 18507 11066 1 20 . 1 1 67 67 LYS N N 67 118.307 118.307 118.159 0.148 18507 11067 1 20 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.747 -0.114 18507 11068 1 20 . 1 1 67 67 LYS C C 67 173.317 173.317 175.022 -1.705 18507 11069 1 20 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.739 2.137 18507 11070 1 20 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.988 0.212 18507 11071 1 20 . 1 1 67 67 LYS H H 67 8.927 8.927 8.654 0.273 18507 11072 1 20 . 1 1 68 68 PHE N N 68 118.691 118.691 122.256 -3.565 18507 11073 1 20 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.201 0.330 18507 11074 1 20 . 1 1 68 68 PHE C C 68 173.861 173.861 175.475 -1.614 18507 11075 1 20 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.519 0.429 18507 11076 1 20 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.023 0.249 18507 11077 1 20 . 1 1 68 68 PHE H H 68 8.436 8.436 8.289 0.147 18507 11078 1 20 . 1 1 69 69 PHE N N 69 125.718 125.718 123.671 2.047 18507 11079 1 20 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.996 -0.273 18507 11080 1 20 . 1 1 69 69 PHE C C 69 174.574 174.574 173.250 1.324 18507 11081 1 20 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.603 -0.767 18507 11082 1 20 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.792 -0.636 18507 11083 1 20 . 1 1 69 69 PHE H H 69 9.000 9.000 8.532 0.468 18507 11084 1 20 . 1 1 70 70 VAL N N 70 126.808 126.808 125.179 1.629 18507 11085 1 20 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.612 -0.289 18507 11086 1 20 . 1 1 70 70 VAL C C 70 175.641 175.641 175.586 0.055 18507 11087 1 20 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.762 0.746 18507 11088 1 20 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.647 -1.177 18507 11089 1 20 . 1 1 70 70 VAL H H 70 8.688 8.688 8.063 0.625 18507 11090 1 20 . 1 1 71 71 ASP N N 71 128.747 128.747 125.457 3.290 18507 11091 1 20 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.198 0.037 18507 11092 1 20 . 1 1 71 71 ASP C C 71 176.119 176.119 176.287 -0.168 18507 11093 1 20 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.849 0.800 18507 11094 1 20 . 1 1 71 71 ASP CB C 71 39.629 39.629 40.033 -0.404 18507 11095 1 20 . 1 1 71 71 ASP H H 71 8.890 8.890 9.101 -0.211 18507 11096 1 20 . 1 1 72 72 GLY N N 72 100.856 100.856 104.091 -3.235 18507 11097 1 20 . 1 1 72 72 GLY C C 72 173.149 173.149 173.107 0.042 18507 11098 1 20 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.177 0.078 18507 11099 1 20 . 1 1 72 72 GLY H H 72 7.437 7.437 8.384 -0.947 18507 11100 1 20 . 1 1 73 73 GLN N N 73 117.716 117.716 113.956 3.760 18507 11101 1 20 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.338 0.142 18507 11102 1 20 . 1 1 73 73 GLN C C 73 173.981 173.981 173.045 0.936 18507 11103 1 20 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.034 0.251 18507 11104 1 20 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.640 1.270 18507 11105 1 20 . 1 1 73 73 GLN H H 73 6.923 6.923 6.510 0.413 18507 11106 1 20 . 1 1 74 74 TRP N N 74 123.738 123.738 121.886 1.852 18507 11107 1 20 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.211 0.602 18507 11108 1 20 . 1 1 74 74 TRP C C 74 177.239 177.239 177.127 0.112 18507 11109 1 20 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.358 -0.570 18507 11110 1 20 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.852 0.066 18507 11111 1 20 . 1 1 74 74 TRP H H 74 8.836 8.836 8.729 0.107 18507 11112 1 20 . 1 1 75 75 VAL N N 75 121.900 121.900 119.030 2.870 18507 11113 1 20 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.573 0.413 18507 11114 1 20 . 1 1 75 75 VAL C C 75 172.903 172.903 173.946 -1.043 18507 11115 1 20 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.853 0.772 18507 11116 1 20 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.651 1.003 18507 11117 1 20 . 1 1 75 75 VAL H H 75 10.049 10.049 8.676 1.373 18507 11118 1 20 . 1 1 76 76 HIS N N 76 119.400 119.400 115.055 4.345 18507 11119 1 20 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.230 0.348 18507 11120 1 20 . 1 1 76 76 HIS C C 76 173.084 173.084 173.697 -0.613 18507 11121 1 20 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.352 -0.092 18507 11122 1 20 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.841 -0.034 18507 11123 1 20 . 1 1 76 76 HIS H H 76 7.758 7.758 8.051 -0.293 18507 11124 1 20 . 1 1 77 77 ASP N N 77 121.057 121.057 121.891 -0.834 18507 11125 1 20 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.272 -0.168 18507 11126 1 20 . 1 1 77 77 ASP CA C 77 50.464 50.464 50.484 -0.020 18507 11127 1 20 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.971 -0.702 18507 11128 1 20 . 1 1 77 77 ASP H H 77 10.717 10.717 8.985 1.732 18507 11129 1 20 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.593 -0.058 18507 11130 1 20 . 1 1 78 78 PRO C C 78 177.387 177.387 177.388 -0.001 18507 11131 1 20 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.557 -0.960 18507 11132 1 20 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.581 -0.256 18507 11133 1 20 . 1 1 79 79 SER N N 79 116.058 116.058 113.486 2.572 18507 11134 1 20 . 1 1 79 79 SER HA H 79 4.477 4.477 4.444 0.033 18507 11135 1 20 . 1 1 79 79 SER C C 79 173.819 173.819 174.757 -0.938 18507 11136 1 20 . 1 1 79 79 SER CA C 79 59.369 59.369 59.287 0.082 18507 11137 1 20 . 1 1 79 79 SER CB C 79 63.875 63.875 63.489 0.386 18507 11138 1 20 . 1 1 79 79 SER H H 79 8.853 8.853 8.323 0.530 18507 11139 1 20 . 1 1 80 80 GLU N N 80 122.620 122.620 120.597 2.023 18507 11140 1 20 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.682 0.277 18507 11141 1 20 . 1 1 80 80 GLU CA C 80 53.401 53.401 54.182 -0.781 18507 11142 1 20 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.271 0.349 18507 11143 1 20 . 1 1 80 80 GLU H H 80 7.332 7.332 7.493 -0.161 18507 11144 1 20 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.485 -0.046 18507 11145 1 20 . 1 1 81 81 PRO C C 81 177.020 177.020 175.529 1.491 18507 11146 1 20 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.143 0.553 18507 11147 1 20 . 1 1 81 81 PRO CB C 81 28.219 28.219 29.857 -1.637 18507 11148 1 20 . 1 1 82 82 VAL N N 82 114.720 114.720 116.729 -2.009 18507 11149 1 20 . 1 1 82 82 VAL HA H 82 5.467 5.467 5.008 0.459 18507 11150 1 20 . 1 1 82 82 VAL C C 82 175.787 175.787 175.086 0.701 18507 11151 1 20 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.615 -1.016 18507 11152 1 20 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.941 2.817 18507 11153 1 20 . 1 1 82 82 VAL H H 82 8.221 8.221 7.948 0.273 18507 11154 1 20 . 1 1 83 83 VAL N N 83 117.999 117.999 121.706 -3.707 18507 11155 1 20 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.469 -0.059 18507 11156 1 20 . 1 1 83 83 VAL C C 83 173.384 173.384 174.233 -0.849 18507 11157 1 20 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.339 -0.806 18507 11158 1 20 . 1 1 83 83 VAL CB C 83 35.305 35.305 35.704 -0.399 18507 11159 1 20 . 1 1 83 83 VAL H H 83 8.898 8.898 8.880 0.018 18507 11160 1 20 . 1 1 84 84 THR N N 84 120.469 120.469 123.037 -2.568 18507 11161 1 20 . 1 1 84 84 THR HA H 84 4.751 4.751 4.398 0.353 18507 11162 1 20 . 1 1 84 84 THR C C 84 174.975 174.975 174.323 0.652 18507 11163 1 20 . 1 1 84 84 THR CA C 84 61.446 61.446 62.747 -1.301 18507 11164 1 20 . 1 1 84 84 THR CB C 84 68.959 68.959 68.759 0.200 18507 11165 1 20 . 1 1 84 84 THR H H 84 8.309 8.309 8.393 -0.084 18507 11166 1 20 . 1 1 85 85 SER N N 85 123.544 123.544 122.360 1.184 18507 11167 1 20 . 1 1 85 85 SER HA H 85 4.533 4.533 4.311 0.222 18507 11168 1 20 . 1 1 85 85 SER CA C 85 57.027 57.027 58.018 -0.991 18507 11169 1 20 . 1 1 85 85 SER CB C 85 65.264 65.264 64.745 0.519 18507 11170 1 20 . 1 1 85 85 SER H H 85 9.137 9.137 8.549 0.588 18507 11171 1 20 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.225 -0.133 18507 11172 1 20 . 1 1 86 86 GLN C C 86 176.451 176.451 175.726 0.725 18507 11173 1 20 . 1 1 86 86 GLN CA C 86 58.070 58.070 57.747 0.323 18507 11174 1 20 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.308 -0.173 18507 11175 1 20 . 1 1 87 87 LEU N N 87 117.032 117.032 118.890 -1.858 18507 11176 1 20 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.527 -0.268 18507 11177 1 20 . 1 1 87 87 LEU C C 87 177.470 177.470 177.408 0.062 18507 11178 1 20 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.170 0.480 18507 11179 1 20 . 1 1 87 87 LEU CB C 87 41.676 41.676 41.135 0.541 18507 11180 1 20 . 1 1 87 87 LEU H H 87 7.692 7.692 8.058 -0.366 18507 11181 1 20 . 1 1 88 88 GLY N N 88 107.770 107.770 108.354 -0.584 18507 11182 1 20 . 1 1 88 88 GLY C C 88 174.029 174.029 174.384 -0.355 18507 11183 1 20 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.536 -0.274 18507 11184 1 20 . 1 1 88 88 GLY H H 88 7.932 7.932 7.703 0.229 18507 11185 1 20 . 1 1 89 89 THR N N 89 112.596 112.596 114.062 -1.466 18507 11186 1 20 . 1 1 89 89 THR HA H 89 4.259 4.259 4.626 -0.367 18507 11187 1 20 . 1 1 89 89 THR C C 89 172.837 172.837 174.232 -1.395 18507 11188 1 20 . 1 1 89 89 THR CA C 89 60.743 60.743 60.126 0.617 18507 11189 1 20 . 1 1 89 89 THR CB C 89 69.845 69.845 70.109 -0.264 18507 11190 1 20 . 1 1 89 89 THR H H 89 7.148 7.148 7.314 -0.166 18507 11191 1 20 . 1 1 90 90 ILE N N 90 123.927 123.927 126.552 -2.625 18507 11192 1 20 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.287 0.123 18507 11193 1 20 . 1 1 90 90 ILE C C 90 175.007 175.007 175.160 -0.153 18507 11194 1 20 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.545 0.006 18507 11195 1 20 . 1 1 90 90 ILE CB C 90 38.935 38.935 37.380 1.554 18507 11196 1 20 . 1 1 90 90 ILE H H 90 8.514 8.514 8.802 -0.288 18507 11197 1 20 . 1 1 91 91 ASN N N 91 123.450 123.450 121.365 2.085 18507 11198 1 20 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.909 0.378 18507 11199 1 20 . 1 1 91 91 ASN C C 91 175.916 175.916 173.429 2.487 18507 11200 1 20 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.946 -0.970 18507 11201 1 20 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.220 0.956 18507 11202 1 20 . 1 1 91 91 ASN H H 91 8.497 8.497 8.594 -0.097 18507 11203 1 20 . 1 1 92 92 ASN N N 92 115.675 115.675 118.154 -2.479 18507 11204 1 20 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.778 0.833 18507 11205 1 20 . 1 1 92 92 ASN C C 92 173.765 173.765 174.421 -0.656 18507 11206 1 20 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.566 1.246 18507 11207 1 20 . 1 1 92 92 ASN CB C 92 41.743 41.743 39.008 2.735 18507 11208 1 20 . 1 1 92 92 ASN H H 92 8.721 8.721 8.342 0.379 18507 11209 1 20 . 1 1 93 93 LEU N N 93 120.001 120.001 120.974 -0.973 18507 11210 1 20 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.631 0.706 18507 11211 1 20 . 1 1 93 93 LEU C C 93 175.864 175.864 174.962 0.902 18507 11212 1 20 . 1 1 93 93 LEU CA C 93 53.522 53.522 53.858 -0.336 18507 11213 1 20 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.310 1.813 18507 11214 1 20 . 1 1 93 93 LEU H H 93 7.661 7.661 8.075 -0.414 18507 11215 1 20 . 1 1 94 94 ILE N N 94 124.682 124.682 124.863 -0.181 18507 11216 1 20 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.634 0.213 18507 11217 1 20 . 1 1 94 94 ILE C C 94 172.078 172.078 173.228 -1.150 18507 11218 1 20 . 1 1 94 94 ILE CA C 94 59.351 59.351 59.696 -0.345 18507 11219 1 20 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.333 -0.242 18507 11220 1 20 . 1 1 94 94 ILE H H 94 9.282 9.282 9.161 0.121 18507 11221 1 20 . 1 1 95 95 HIS N N 95 126.782 126.782 126.284 0.498 18507 11222 1 20 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.149 -0.039 18507 11223 1 20 . 1 1 95 95 HIS C C 95 174.655 174.655 174.352 0.303 18507 11224 1 20 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.545 -0.211 18507 11225 1 20 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.515 0.884 18507 11226 1 20 . 1 1 95 95 HIS H H 95 8.690 8.690 8.731 -0.041 18507 11227 1 20 . 1 1 96 96 VAL N N 96 128.616 128.616 124.675 3.941 18507 11228 1 20 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.262 -0.147 18507 11229 1 20 . 1 1 96 96 VAL C C 96 175.515 175.515 175.776 -0.261 18507 11230 1 20 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.521 0.981 18507 11231 1 20 . 1 1 96 96 VAL CB C 96 32.332 32.332 32.805 -0.473 18507 11232 1 20 . 1 1 96 96 VAL H H 96 9.082 9.082 8.487 0.595 18507 11233 1 20 . 1 1 97 97 LYS N N 97 128.692 128.692 125.666 3.026 18507 11234 1 20 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.593 -0.043 18507 11235 1 20 . 1 1 97 97 LYS C C 97 176.019 176.019 175.850 0.169 18507 11236 1 20 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.644 0.447 18507 11237 1 20 . 1 1 97 97 LYS CB C 97 34.588 34.588 34.798 -0.210 18507 11238 1 20 . 1 1 97 97 LYS H H 97 8.708 8.708 8.380 0.328 18507 11239 1 20 . 1 1 98 98 LYS N N 98 122.635 122.635 118.902 3.733 18507 11240 1 20 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.469 -0.347 18507 11241 1 20 . 1 1 98 98 LYS C C 98 176.947 176.947 175.527 1.420 18507 11242 1 20 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.972 1.260 18507 11243 1 20 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.395 -0.546 18507 11244 1 20 . 1 1 98 98 LYS H H 98 8.717 8.717 8.264 0.453 18507 11245 1 20 . 1 1 99 99 SER N N 99 116.737 116.737 113.995 2.742 18507 11246 1 20 . 1 1 99 99 SER HA H 99 4.357 4.357 4.683 -0.326 18507 11247 1 20 . 1 1 99 99 SER C C 99 174.335 174.335 173.678 0.657 18507 11248 1 20 . 1 1 99 99 SER CA C 99 58.240 58.240 58.122 0.118 18507 11249 1 20 . 1 1 99 99 SER CB C 99 63.664 63.664 63.672 -0.007 18507 11250 1 20 . 1 1 99 99 SER H H 99 8.393 8.393 8.591 -0.198 18507 11251 1 20 . 1 1 100 100 ASP N N 100 122.287 122.287 119.211 3.076 18507 11252 1 20 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.686 -0.160 18507 11253 1 20 . 1 1 100 100 ASP C C 100 175.823 175.823 176.797 -0.974 18507 11254 1 20 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.466 0.347 18507 11255 1 20 . 1 1 100 100 ASP CB C 100 40.938 40.938 40.783 0.154 18507 11256 1 20 . 1 1 100 100 ASP H H 100 8.288 8.288 8.411 -0.123 18507 11257 1 20 . 1 1 101 101 PHE N N 101 118.668 118.668 119.038 -0.370 18507 11258 1 20 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.516 0.059 18507 11259 1 20 . 1 1 101 101 PHE C C 101 175.279 175.279 175.612 -0.333 18507 11260 1 20 . 1 1 101 101 PHE CA C 101 57.462 57.462 59.010 -1.548 18507 11261 1 20 . 1 1 101 101 PHE CB C 101 39.557 39.557 40.090 -0.533 18507 11262 1 20 . 1 1 101 101 PHE H H 101 7.923 7.923 7.724 0.199 18507 11263 1 20 . 1 1 102 102 GLU N N 102 122.081 122.081 119.488 2.593 18507 11264 1 20 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.844 0.336 18507 11265 1 20 . 1 1 102 102 GLU C C 102 175.388 175.388 176.244 -0.856 18507 11266 1 20 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.841 -1.533 18507 11267 1 20 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.607 0.978 18507 11268 1 20 . 1 1 102 102 GLU H H 102 8.138 8.138 8.428 -0.290 18507 11269 1 20 . 1 1 103 103 VAL N N 103 120.545 120.545 118.181 2.364 18507 11270 1 20 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.940 0.084 18507 11271 1 20 . 1 1 103 103 VAL C C 103 175.359 175.359 175.331 0.028 18507 11272 1 20 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.663 0.010 18507 11273 1 20 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.537 0.561 18507 11274 1 20 . 1 1 103 103 VAL H H 103 7.934 7.934 7.260 0.674 18507 11275 1 20 . 1 1 104 104 PHE N N 104 124.359 124.359 123.442 0.917 18507 11276 1 20 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.437 0.258 18507 11277 1 20 . 1 1 104 104 PHE C C 104 174.530 174.530 176.373 -1.843 18507 11278 1 20 . 1 1 104 104 PHE CA C 104 57.140 57.140 59.162 -2.022 18507 11279 1 20 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.020 0.945 18507 11280 1 20 . 1 1 104 104 PHE H H 104 8.340 8.340 8.370 -0.030 18507 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 91 3.128 -0.917 3.007 18507 2 1 1 "Average Difference" HA 107 0.388 0.013 0.390 18507 3 1 1 "Average Difference" C 91 1.057 0.036 1.062 18507 4 1 1 "Average Difference" CA 102 0.943 -0.012 0.948 18507 5 1 1 "Average Difference" CB 95 1.186 -0.133 1.185 18507 6 1 1 "Average Difference" HN 91 0.655 -0.117 0.648 18507 7 1 2 "Average Difference" N 91 2.861 -0.633 2.806 18507 8 1 2 "Average Difference" HA 107 0.366 -0.009 0.367 18507 9 1 2 "Average Difference" C 91 1.036 0.002 1.042 18507 10 1 2 "Average Difference" CA 102 1.009 0.038 1.013 18507 11 1 2 "Average Difference" CB 95 1.138 -0.111 1.138 18507 12 1 2 "Average Difference" HN 91 0.552 -0.163 0.531 18507 13 1 3 "Average Difference" N 91 2.920 -0.482 2.896 18507 14 1 3 "Average Difference" HA 107 0.373 0.005 0.375 18507 15 1 3 "Average Difference" C 91 1.001 0.054 1.005 18507 16 1 3 "Average Difference" CA 102 0.963 0.058 0.966 18507 17 1 3 "Average Difference" CB 95 1.141 -0.126 1.140 18507 18 1 3 "Average Difference" HN 91 0.556 -0.133 0.543 18507 19 1 4 "Average Difference" N 91 2.983 -0.736 2.906 18507 20 1 4 "Average Difference" HA 107 0.361 -0.011 0.363 18507 21 1 4 "Average Difference" C 91 0.998 0.005 1.003 18507 22 1 4 "Average Difference" CA 102 0.992 0.069 0.994 18507 23 1 4 "Average Difference" CB 95 1.136 -0.184 1.127 18507 24 1 4 "Average Difference" HN 91 0.551 -0.156 0.531 18507 25 1 5 "Average Difference" N 91 2.991 -0.607 2.945 18507 26 1 5 "Average Difference" HA 107 0.386 -0.007 0.388 18507 27 1 5 "Average Difference" C 91 1.053 -0.068 1.057 18507 28 1 5 "Average Difference" CA 102 0.975 0.042 0.978 18507 29 1 5 "Average Difference" CB 95 1.166 -0.218 1.151 18507 30 1 5 "Average Difference" HN 91 0.568 -0.161 0.548 18507 31 1 6 "Average Difference" N 91 2.857 -0.522 2.824 18507 32 1 6 "Average Difference" HA 107 0.375 0.006 0.376 18507 33 1 6 "Average Difference" C 91 1.096 -0.044 1.101 18507 34 1 6 "Average Difference" CA 102 0.934 0.014 0.938 18507 35 1 6 "Average Difference" CB 95 1.183 -0.139 1.181 18507 36 1 6 "Average Difference" HN 91 0.575 -0.155 0.557 18507 37 1 7 "Average Difference" N 91 2.725 -0.485 2.697 18507 38 1 7 "Average Difference" HA 107 0.370 -0.008 0.371 18507 39 1 7 "Average Difference" C 91 1.067 -0.029 1.072 18507 40 1 7 "Average Difference" CA 102 0.958 0.088 0.959 18507 41 1 7 "Average Difference" CB 95 1.094 -0.108 1.095 18507 42 1 7 "Average Difference" HN 91 0.587 -0.195 0.556 18507 43 1 8 "Average Difference" N 91 2.884 -0.530 2.850 18507 44 1 8 "Average Difference" HA 107 0.377 0.011 0.379 18507 45 1 8 "Average Difference" C 91 1.067 -0.066 1.071 18507 46 1 8 "Average Difference" CA 102 0.960 -0.042 0.964 18507 47 1 8 "Average Difference" CB 95 1.166 -0.128 1.165 18507 48 1 8 "Average Difference" HN 91 0.566 -0.145 0.551 18507 49 1 9 "Average Difference" N 91 2.848 -0.538 2.813 18507 50 1 9 "Average Difference" HA 107 0.383 0.012 0.384 18507 51 1 9 "Average Difference" C 91 0.987 -0.020 0.993 18507 52 1 9 "Average Difference" CA 102 1.032 0.098 1.033 18507 53 1 9 "Average Difference" CB 95 1.154 -0.122 1.154 18507 54 1 9 "Average Difference" HN 91 0.585 -0.172 0.563 18507 55 1 10 "Average Difference" N 91 2.832 -0.632 2.776 18507 56 1 10 "Average Difference" HA 107 0.381 -0.008 0.383 18507 57 1 10 "Average Difference" C 91 1.021 -0.011 1.026 18507 58 1 10 "Average Difference" CA 102 1.010 -0.020 1.015 18507 59 1 10 "Average Difference" CB 95 1.138 -0.202 1.126 18507 60 1 10 "Average Difference" HN 91 0.595 -0.169 0.574 18507 61 1 11 "Average Difference" N 91 2.745 -0.462 2.721 18507 62 1 11 "Average Difference" HA 107 0.384 -0.009 0.386 18507 63 1 11 "Average Difference" C 91 1.062 -0.004 1.068 18507 64 1 11 "Average Difference" CA 102 0.947 0.038 0.950 18507 65 1 11 "Average Difference" CB 95 1.172 -0.181 1.164 18507 66 1 11 "Average Difference" HN 91 0.547 -0.165 0.525 18507 67 1 12 "Average Difference" N 91 2.930 -0.522 2.899 18507 68 1 12 "Average Difference" HA 107 0.380 -0.006 0.382 18507 69 1 12 "Average Difference" C 91 1.066 -0.032 1.072 18507 70 1 12 "Average Difference" CA 102 1.014 0.057 1.018 18507 71 1 12 "Average Difference" CB 95 1.099 -0.084 1.102 18507 72 1 12 "Average Difference" HN 91 0.585 -0.167 0.563 18507 73 1 13 "Average Difference" N 91 2.945 -0.597 2.900 18507 74 1 13 "Average Difference" HA 107 0.383 0.003 0.385 18507 75 1 13 "Average Difference" C 91 1.120 -0.077 1.124 18507 76 1 13 "Average Difference" CA 102 1.007 0.060 1.010 18507 77 1 13 "Average Difference" CB 95 1.123 -0.068 1.127 18507 78 1 13 "Average Difference" HN 91 0.565 -0.170 0.542 18507 79 1 14 "Average Difference" N 91 2.997 -0.661 2.940 18507 80 1 14 "Average Difference" HA 107 0.391 0.010 0.392 18507 81 1 14 "Average Difference" C 91 1.034 -0.041 1.039 18507 82 1 14 "Average Difference" CA 102 0.960 0.044 0.964 18507 83 1 14 "Average Difference" CB 95 1.137 -0.115 1.138 18507 84 1 14 "Average Difference" HN 91 0.621 -0.133 0.610 18507 85 1 15 "Average Difference" N 91 2.864 -0.554 2.825 18507 86 1 15 "Average Difference" HA 107 0.358 -0.009 0.359 18507 87 1 15 "Average Difference" C 91 1.056 0.027 1.062 18507 88 1 15 "Average Difference" CA 102 0.909 0.032 0.913 18507 89 1 15 "Average Difference" CB 95 1.210 -0.121 1.210 18507 90 1 15 "Average Difference" HN 91 0.584 -0.174 0.560 18507 91 1 16 "Average Difference" N 91 2.995 -0.627 2.945 18507 92 1 16 "Average Difference" HA 107 0.383 -0.000 0.384 18507 93 1 16 "Average Difference" C 91 1.037 -0.032 1.042 18507 94 1 16 "Average Difference" CA 102 1.021 -0.042 1.026 18507 95 1 16 "Average Difference" CB 95 1.169 -0.156 1.165 18507 96 1 16 "Average Difference" HN 91 0.591 -0.177 0.567 18507 97 1 17 "Average Difference" N 91 3.018 -0.441 3.002 18507 98 1 17 "Average Difference" HA 107 0.364 0.018 0.365 18507 99 1 17 "Average Difference" C 91 1.080 0.012 1.086 18507 100 1 17 "Average Difference" CA 102 0.954 0.030 0.958 18507 101 1 17 "Average Difference" CB 95 1.175 -0.154 1.171 18507 102 1 17 "Average Difference" HN 91 0.551 -0.156 0.531 18507 103 1 18 "Average Difference" N 91 2.745 -0.517 2.711 18507 104 1 18 "Average Difference" HA 107 0.382 -0.010 0.384 18507 105 1 18 "Average Difference" C 91 1.062 0.006 1.068 18507 106 1 18 "Average Difference" CA 102 0.894 0.089 0.894 18507 107 1 18 "Average Difference" CB 95 1.163 -0.166 1.157 18507 108 1 18 "Average Difference" HN 91 0.584 -0.192 0.554 18507 109 1 19 "Average Difference" N 91 2.964 -0.603 2.918 18507 110 1 19 "Average Difference" HA 107 0.371 -0.010 0.373 18507 111 1 19 "Average Difference" C 91 1.008 -0.007 1.013 18507 112 1 19 "Average Difference" CA 102 1.003 0.082 1.005 18507 113 1 19 "Average Difference" CB 95 1.176 -0.155 1.172 18507 114 1 19 "Average Difference" HN 91 0.548 -0.161 0.527 18507 115 1 20 "Average Difference" N 91 2.897 -0.509 2.868 18507 116 1 20 "Average Difference" HA 107 0.373 -0.020 0.374 18507 117 1 20 "Average Difference" C 91 1.014 0.026 1.019 18507 118 1 20 "Average Difference" CA 102 0.930 0.057 0.933 18507 119 1 20 "Average Difference" CB 95 1.104 -0.190 1.093 18507 120 1 20 "Average Difference" HN 91 0.571 -0.179 0.545 18507 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 18507 _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 ALA N N 2 129.609 129.609 123.307 6.302 18507 2 1 . 1 1 2 2 ALA HA H 2 4.336 4.336 4.588 -0.252 18507 3 1 . 1 1 2 2 ALA C C 2 177.730 177.730 177.200 0.530 18507 4 1 . 1 1 2 2 ALA CA C 2 52.590 52.590 52.220 0.370 18507 5 1 . 1 1 2 2 ALA CB C 2 19.509 19.509 19.609 -0.100 18507 6 1 . 1 1 2 2 ALA H H 2 8.252 8.252 8.355 -0.103 18507 7 1 . 1 1 3 3 MET N N 3 119.597 119.597 119.534 0.063 18507 8 1 . 1 1 3 3 MET HA H 3 4.457 4.457 4.616 -0.159 18507 9 1 . 1 1 3 3 MET C C 3 176.640 176.640 176.192 0.448 18507 10 1 . 1 1 3 3 MET CA C 3 55.433 55.433 55.655 -0.222 18507 11 1 . 1 1 3 3 MET CB C 3 32.141 32.141 33.144 -1.003 18507 12 1 . 1 1 3 3 MET H H 3 8.526 8.526 8.451 0.075 18507 13 1 . 1 1 4 4 GLY N N 4 110.104 110.104 110.552 -0.448 18507 14 1 . 1 1 4 4 GLY C C 4 173.846 173.846 173.475 0.371 18507 15 1 . 1 1 4 4 GLY CA C 4 45.289 45.289 44.757 0.532 18507 16 1 . 1 1 4 4 GLY H H 4 8.388 8.388 8.380 0.008 18507 17 1 . 1 1 5 5 ILE N N 5 120.177 120.177 120.546 -0.369 18507 18 1 . 1 1 5 5 ILE HA H 5 4.142 4.142 4.375 -0.233 18507 19 1 . 1 1 5 5 ILE C C 5 176.245 176.245 175.470 0.775 18507 20 1 . 1 1 5 5 ILE CA C 5 60.706 60.706 60.669 0.037 18507 21 1 . 1 1 5 5 ILE CB C 5 38.686 38.686 39.026 -0.340 18507 22 1 . 1 1 5 5 ILE H H 5 7.995 7.995 8.101 -0.106 18507 23 1 . 1 1 6 6 ARG N N 6 125.295 125.295 125.390 -0.095 18507 24 1 . 1 1 6 6 ARG HA H 6 4.347 4.347 4.539 -0.192 18507 25 1 . 1 1 6 6 ARG C C 6 174.908 174.908 175.283 -0.375 18507 26 1 . 1 1 6 6 ARG CA C 6 55.812 55.812 55.636 0.176 18507 27 1 . 1 1 6 6 ARG CB C 6 30.829 30.829 30.631 0.198 18507 28 1 . 1 1 6 6 ARG H H 6 8.451 8.451 8.494 -0.043 18507 29 1 . 1 1 7 7 ASN N N 7 125.979 125.979 119.326 6.653 18507 30 1 . 1 1 7 7 ASN HA H 7 4.483 4.483 4.789 -0.306 18507 31 1 . 1 1 7 7 ASN C C 7 175.993 175.993 174.776 1.217 18507 32 1 . 1 1 7 7 ASN CA C 7 54.699 54.699 52.940 1.759 18507 33 1 . 1 1 7 7 ASN CB C 7 40.744 40.744 39.565 1.179 18507 34 1 . 1 1 7 7 ASN H H 7 8.072 8.072 8.347 -0.275 18507 35 1 . 1 1 8 8 SER N N 8 120.939 120.939 115.516 5.423 18507 36 1 . 1 1 8 8 SER C C 8 174.402 174.402 174.085 0.317 18507 37 1 . 1 1 8 8 SER CA C 8 58.678 58.678 58.430 0.249 18507 38 1 . 1 1 8 8 SER CB C 8 63.735 63.735 63.828 -0.093 18507 39 1 . 1 1 8 8 SER H H 8 8.363 8.363 8.471 -0.108 18507 40 1 . 1 1 9 9 ASP N N 9 122.169 122.169 121.508 0.661 18507 41 1 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.604 0.008 18507 42 1 . 1 1 9 9 ASP C C 9 176.302 176.302 176.298 0.004 18507 43 1 . 1 1 9 9 ASP CA C 9 54.667 54.667 54.829 -0.162 18507 44 1 . 1 1 9 9 ASP CB C 9 41.092 41.092 41.105 -0.013 18507 45 1 . 1 1 9 9 ASP H H 9 8.334 8.334 8.495 -0.161 18507 46 1 . 1 1 10 10 SER N N 10 115.330 115.330 115.256 0.074 18507 47 1 . 1 1 10 10 SER HA H 10 4.408 4.408 4.426 -0.018 18507 48 1 . 1 1 10 10 SER C C 10 174.338 174.338 173.366 0.972 18507 49 1 . 1 1 10 10 SER CA C 10 58.421 58.421 58.302 0.119 18507 50 1 . 1 1 10 10 SER CB C 10 63.749 63.749 63.633 0.117 18507 51 1 . 1 1 10 10 SER H H 10 8.130 8.130 8.077 0.053 18507 52 1 . 1 1 11 11 VAL N N 11 121.719 121.719 120.203 1.516 18507 53 1 . 1 1 11 11 VAL HA H 11 4.088 4.088 4.325 -0.237 18507 54 1 . 1 1 11 11 VAL C C 11 175.837 175.837 174.627 1.210 18507 55 1 . 1 1 11 11 VAL CA C 11 61.972 61.972 61.726 0.246 18507 56 1 . 1 1 11 11 VAL CB C 11 32.508 32.508 33.113 -0.605 18507 57 1 . 1 1 11 11 VAL H H 11 8.040 8.040 8.113 -0.073 18507 58 1 . 1 1 12 12 LYS N N 12 126.544 126.544 125.960 0.583 18507 59 1 . 1 1 12 12 LYS H H 12 8.349 8.349 8.428 -0.079 18507 60 1 . 1 1 13 13 PRO HA H 13 4.459 4.459 4.393 0.066 18507 61 1 . 1 1 13 13 PRO C C 13 177.038 177.038 176.733 0.305 18507 62 1 . 1 1 13 13 PRO CA C 13 62.868 62.868 63.548 -0.680 18507 63 1 . 1 1 13 13 PRO CB C 13 32.182 32.182 31.885 0.297 18507 64 1 . 1 1 14 14 THR N N 14 114.515 114.515 113.180 1.335 18507 65 1 . 1 1 14 14 THR HA H 14 4.255 4.255 4.316 -0.061 18507 66 1 . 1 1 14 14 THR C C 14 174.477 174.477 174.350 0.127 18507 67 1 . 1 1 14 14 THR CA C 14 61.813 61.813 61.786 0.027 18507 68 1 . 1 1 14 14 THR CB C 14 69.675 69.675 69.737 -0.062 18507 69 1 . 1 1 14 14 THR H H 14 8.234 8.234 7.703 0.531 18507 70 1 . 1 1 15 15 GLN N N 15 122.586 122.586 121.071 1.515 18507 71 1 . 1 1 15 15 GLN HA H 15 4.346 4.346 4.308 0.038 18507 72 1 . 1 1 15 15 GLN C C 15 175.452 175.452 175.581 -0.129 18507 73 1 . 1 1 15 15 GLN CA C 15 55.562 55.562 56.091 -0.529 18507 74 1 . 1 1 15 15 GLN CB C 15 29.535 29.535 29.691 -0.156 18507 75 1 . 1 1 15 15 GLN H H 15 8.380 8.380 8.394 -0.014 18507 76 1 . 1 1 16 16 GLN N N 16 122.137 122.137 120.657 1.480 18507 77 1 . 1 1 16 16 GLN HA H 16 4.260 4.260 4.443 -0.183 18507 78 1 . 1 1 16 16 GLN C C 16 175.050 175.050 174.464 0.586 18507 79 1 . 1 1 16 16 GLN CA C 16 55.542 55.542 55.540 0.002 18507 80 1 . 1 1 16 16 GLN CB C 16 29.726 29.726 29.640 0.086 18507 81 1 . 1 1 16 16 GLN H H 16 8.457 8.457 8.522 -0.065 18507 82 1 . 1 1 17 17 ALA N N 17 125.292 125.292 124.289 1.003 18507 83 1 . 1 1 17 17 ALA HA H 17 4.311 4.311 4.491 -0.180 18507 84 1 . 1 1 17 17 ALA C C 17 176.628 176.628 176.032 0.596 18507 85 1 . 1 1 17 17 ALA CA C 17 51.712 51.712 51.918 -0.206 18507 86 1 . 1 1 17 17 ALA CB C 17 19.967 19.967 20.857 -0.890 18507 87 1 . 1 1 17 17 ALA H H 17 8.323 8.323 8.342 -0.019 18507 88 1 . 1 1 18 18 ARG N N 18 122.106 122.106 121.230 0.876 18507 89 1 . 1 1 18 18 ARG HA H 18 4.621 4.621 4.672 -0.051 18507 90 1 . 1 1 18 18 ARG CA C 18 53.226 53.226 53.752 -0.526 18507 91 1 . 1 1 18 18 ARG CB C 18 30.775 30.775 30.675 0.100 18507 92 1 . 1 1 18 18 ARG H H 18 8.591 8.591 8.648 -0.057 18507 93 1 . 1 1 19 19 PRO HA H 19 4.584 4.584 4.477 0.107 18507 94 1 . 1 1 19 19 PRO C C 19 176.098 176.098 176.284 -0.186 18507 95 1 . 1 1 19 19 PRO CA C 19 62.961 62.961 62.504 0.457 18507 96 1 . 1 1 19 19 PRO CB C 19 32.145 32.145 32.309 -0.164 18507 97 1 . 1 1 20 20 THR N N 20 121.694 121.694 113.596 8.098 18507 98 1 . 1 1 20 20 THR HA H 20 4.228 4.228 4.322 -0.094 18507 99 1 . 1 1 20 20 THR C C 20 172.413 172.413 174.330 -1.917 18507 100 1 . 1 1 20 20 THR CA C 20 62.891 62.891 60.257 2.634 18507 101 1 . 1 1 20 20 THR CB C 20 71.036 71.036 69.947 1.089 18507 102 1 . 1 1 20 20 THR H H 20 9.046 9.046 8.165 0.881 18507 103 1 . 1 1 21 21 VAL N N 21 127.141 127.141 125.600 1.541 18507 104 1 . 1 1 21 21 VAL HA H 21 4.547 4.547 4.197 0.350 18507 105 1 . 1 1 21 21 VAL C C 21 175.345 175.345 174.574 0.771 18507 106 1 . 1 1 21 21 VAL CA C 21 61.780 61.780 61.931 -0.151 18507 107 1 . 1 1 21 21 VAL CB C 21 32.259 32.259 31.565 0.694 18507 108 1 . 1 1 21 21 VAL H H 21 8.572 8.572 8.346 0.226 18507 109 1 . 1 1 22 22 ILE N N 22 130.341 130.341 127.091 3.250 18507 110 1 . 1 1 22 22 ILE HA H 22 4.293 4.293 4.530 -0.237 18507 111 1 . 1 1 22 22 ILE C C 22 173.794 173.794 174.425 -0.631 18507 112 1 . 1 1 22 22 ILE CA C 22 59.451 59.451 60.595 -1.144 18507 113 1 . 1 1 22 22 ILE CB C 22 39.664 39.664 42.367 -2.703 18507 114 1 . 1 1 22 22 ILE H H 22 8.913 8.913 8.149 0.764 18507 115 1 . 1 1 23 23 ARG N N 23 125.596 125.596 125.781 -0.185 18507 116 1 . 1 1 23 23 ARG HA H 23 5.509 5.509 5.108 0.401 18507 117 1 . 1 1 23 23 ARG C C 23 174.125 174.125 174.486 -0.361 18507 118 1 . 1 1 23 23 ARG CA C 23 54.005 54.005 55.258 -1.253 18507 119 1 . 1 1 23 23 ARG CB C 23 34.584 34.584 32.353 2.232 18507 120 1 . 1 1 23 23 ARG H H 23 8.595 8.595 8.761 -0.166 18507 121 1 . 1 1 24 24 TRP N N 24 123.124 123.124 127.965 -4.841 18507 122 1 . 1 1 24 24 TRP HA H 24 4.787 4.787 4.896 -0.109 18507 123 1 . 1 1 24 24 TRP C C 24 177.208 177.208 173.746 3.462 18507 124 1 . 1 1 24 24 TRP CA C 24 55.974 55.974 56.256 -0.282 18507 125 1 . 1 1 24 24 TRP CB C 24 32.407 32.407 32.282 0.125 18507 126 1 . 1 1 24 24 TRP H H 24 9.098 9.098 9.027 0.071 18507 127 1 . 1 1 25 25 SER N N 25 123.623 123.623 121.218 2.405 18507 128 1 . 1 1 25 25 SER HA H 25 4.827 4.827 4.651 0.176 18507 129 1 . 1 1 25 25 SER CA C 25 58.442 58.442 57.107 1.335 18507 130 1 . 1 1 25 25 SER CB C 25 63.993 63.993 64.411 -0.418 18507 131 1 . 1 1 25 25 SER H H 25 8.837 8.837 7.977 0.860 18507 132 1 . 1 1 26 26 GLU HA H 26 4.141 4.141 4.415 -0.274 18507 133 1 . 1 1 26 26 GLU C C 26 175.915 175.915 176.180 -0.265 18507 134 1 . 1 1 26 26 GLU CA C 26 55.264 55.264 56.593 -1.329 18507 135 1 . 1 1 26 26 GLU CB C 26 29.284 29.284 30.542 -1.258 18507 136 1 . 1 1 27 27 GLY N N 27 109.186 109.186 108.324 0.862 18507 137 1 . 1 1 27 27 GLY C C 27 173.380 173.380 174.486 -1.106 18507 138 1 . 1 1 27 27 GLY CA C 27 44.632 44.632 45.070 -0.438 18507 139 1 . 1 1 27 27 GLY H H 27 8.434 8.434 8.543 -0.109 18507 140 1 . 1 1 28 28 GLY N N 28 106.478 106.478 107.955 -1.477 18507 141 1 . 1 1 28 28 GLY C C 28 172.572 172.572 174.617 -2.045 18507 142 1 . 1 1 28 28 GLY CA C 28 43.697 43.697 44.189 -0.492 18507 143 1 . 1 1 28 28 GLY H H 28 7.948 7.948 7.917 0.031 18507 144 1 . 1 1 29 29 LYS N N 29 120.742 120.742 118.314 2.428 18507 145 1 . 1 1 29 29 LYS HA H 29 4.615 4.615 4.469 0.146 18507 146 1 . 1 1 29 29 LYS C C 29 177.173 177.173 176.048 1.125 18507 147 1 . 1 1 29 29 LYS CA C 29 57.951 57.951 56.933 1.018 18507 148 1 . 1 1 29 29 LYS CB C 29 33.835 33.835 33.410 0.424 18507 149 1 . 1 1 29 29 LYS H H 29 10.077 10.077 8.382 1.695 18507 150 1 . 1 1 30 30 GLU N N 30 121.578 121.578 117.947 3.631 18507 151 1 . 1 1 30 30 GLU HA H 30 4.197 4.197 4.421 -0.224 18507 152 1 . 1 1 30 30 GLU C C 30 173.541 173.541 173.670 -0.129 18507 153 1 . 1 1 30 30 GLU CA C 30 55.980 55.980 55.452 0.528 18507 154 1 . 1 1 30 30 GLU CB C 30 32.473 32.473 31.878 0.595 18507 155 1 . 1 1 30 30 GLU H H 30 8.810 8.810 7.789 1.021 18507 156 1 . 1 1 31 31 VAL N N 31 124.182 124.182 122.016 2.166 18507 157 1 . 1 1 31 31 VAL HA H 31 4.540 4.540 4.679 -0.139 18507 158 1 . 1 1 31 31 VAL C C 31 173.552 173.552 174.145 -0.593 18507 159 1 . 1 1 31 31 VAL CA C 31 61.235 61.235 60.441 0.794 18507 160 1 . 1 1 31 31 VAL CB C 31 35.261 35.261 33.314 1.947 18507 161 1 . 1 1 31 31 VAL H H 31 7.704 7.704 8.265 -0.561 18507 162 1 . 1 1 32 32 PHE N N 32 123.930 123.930 124.529 -0.599 18507 163 1 . 1 1 32 32 PHE HA H 32 5.567 5.567 5.416 0.151 18507 164 1 . 1 1 32 32 PHE C C 32 174.872 174.872 174.402 0.470 18507 165 1 . 1 1 32 32 PHE CA C 32 54.985 54.985 56.380 -1.395 18507 166 1 . 1 1 32 32 PHE CB C 32 44.349 44.349 43.977 0.372 18507 167 1 . 1 1 32 32 PHE H H 32 8.856 8.856 8.181 0.675 18507 168 1 . 1 1 33 33 ILE N N 33 116.493 116.493 121.198 -4.705 18507 169 1 . 1 1 33 33 ILE HA H 33 5.480 5.480 5.549 -0.069 18507 170 1 . 1 1 33 33 ILE C C 33 174.067 174.067 174.175 -0.108 18507 171 1 . 1 1 33 33 ILE CA C 33 59.509 59.509 59.179 0.330 18507 172 1 . 1 1 33 33 ILE CB C 33 43.294 43.294 41.798 1.496 18507 173 1 . 1 1 33 33 ILE H H 33 9.316 9.316 9.181 0.135 18507 174 1 . 1 1 34 34 SER N N 34 116.962 116.962 121.839 -4.877 18507 175 1 . 1 1 34 34 SER HA H 34 4.496 4.496 4.801 -0.305 18507 176 1 . 1 1 34 34 SER C C 34 170.691 170.691 172.052 -1.361 18507 177 1 . 1 1 34 34 SER CA C 34 57.343 57.343 57.150 0.192 18507 178 1 . 1 1 34 34 SER CB C 34 67.249 67.249 65.592 1.657 18507 179 1 . 1 1 34 34 SER H H 34 8.518 8.518 8.577 -0.059 18507 180 1 . 1 1 35 35 GLY N N 35 106.806 106.806 108.822 -2.016 18507 181 1 . 1 1 35 35 GLY C C 35 172.451 172.451 172.234 0.217 18507 182 1 . 1 1 35 35 GLY CA C 35 45.061 45.061 43.391 1.670 18507 183 1 . 1 1 35 35 GLY H H 35 7.200 7.200 7.009 0.191 18507 184 1 . 1 1 36 36 SER N N 36 115.550 115.550 116.242 -0.692 18507 185 1 . 1 1 36 36 SER HA H 36 3.388 3.388 4.308 -0.920 18507 186 1 . 1 1 36 36 SER C C 36 177.094 177.094 176.913 0.181 18507 187 1 . 1 1 36 36 SER CA C 36 60.882 60.882 60.596 0.286 18507 188 1 . 1 1 36 36 SER CB C 36 61.978 61.978 63.465 -1.487 18507 189 1 . 1 1 36 36 SER H H 36 8.952 8.952 7.931 1.021 18507 190 1 . 1 1 37 37 PHE N N 37 118.633 118.633 117.522 1.111 18507 191 1 . 1 1 37 37 PHE HA H 37 4.461 4.461 4.278 0.183 18507 192 1 . 1 1 37 37 PHE C C 37 175.254 175.254 175.568 -0.314 18507 193 1 . 1 1 37 37 PHE CA C 37 56.756 56.756 58.349 -1.593 18507 194 1 . 1 1 37 37 PHE CB C 37 37.763 37.763 37.972 -0.209 18507 195 1 . 1 1 37 37 PHE H H 37 6.475 6.475 8.009 -1.534 18507 196 1 . 1 1 38 38 ASN N N 38 119.885 119.885 116.094 3.791 18507 197 1 . 1 1 38 38 ASN HA H 38 4.940 4.940 4.681 0.259 18507 198 1 . 1 1 38 38 ASN C C 38 175.954 175.954 174.966 0.988 18507 199 1 . 1 1 38 38 ASN CA C 38 51.281 51.281 51.794 -0.513 18507 200 1 . 1 1 38 38 ASN CB C 38 37.201 37.201 39.727 -2.526 18507 201 1 . 1 1 38 38 ASN H H 38 6.610 6.610 6.988 -0.378 18507 202 1 . 1 1 39 39 ASN N N 39 117.264 117.264 118.422 -1.158 18507 203 1 . 1 1 39 39 ASN HA H 39 4.310 4.310 4.478 -0.168 18507 204 1 . 1 1 39 39 ASN C C 39 173.171 173.171 174.851 -1.680 18507 205 1 . 1 1 39 39 ASN CA C 39 54.788 54.788 54.448 0.340 18507 206 1 . 1 1 39 39 ASN CB C 39 36.994 36.994 37.180 -0.186 18507 207 1 . 1 1 39 39 ASN H H 39 7.822 7.822 7.823 -0.000 18507 208 1 . 1 1 40 40 TRP N N 40 113.463 113.463 113.622 -0.159 18507 209 1 . 1 1 40 40 TRP HA H 40 4.001 4.001 4.170 -0.169 18507 210 1 . 1 1 40 40 TRP C C 40 177.457 177.457 176.304 1.153 18507 211 1 . 1 1 40 40 TRP CA C 40 57.585 57.585 57.989 -0.404 18507 212 1 . 1 1 40 40 TRP CB C 40 24.787 24.787 26.330 -1.543 18507 213 1 . 1 1 40 40 TRP H H 40 8.300 8.300 7.671 0.629 18507 214 1 . 1 1 41 41 SER N N 41 113.321 113.321 114.131 -0.810 18507 215 1 . 1 1 41 41 SER HA H 41 4.216 4.216 4.604 -0.388 18507 216 1 . 1 1 41 41 SER C C 41 174.913 174.913 174.104 0.809 18507 217 1 . 1 1 41 41 SER CA C 41 60.460 60.460 58.849 1.611 18507 218 1 . 1 1 41 41 SER CB C 41 64.591 64.591 64.235 0.356 18507 219 1 . 1 1 41 41 SER H H 41 7.549 7.549 8.381 -0.832 18507 220 1 . 1 1 42 42 THR N N 42 112.097 112.097 114.752 -2.655 18507 221 1 . 1 1 42 42 THR HA H 42 4.576 4.576 4.384 0.192 18507 222 1 . 1 1 42 42 THR C C 42 174.798 174.798 172.338 2.460 18507 223 1 . 1 1 42 42 THR CA C 42 59.920 59.920 61.769 -1.849 18507 224 1 . 1 1 42 42 THR CB C 42 71.457 71.457 70.244 1.213 18507 225 1 . 1 1 42 42 THR H H 42 7.088 7.088 7.780 -0.692 18507 226 1 . 1 1 43 43 LYS N N 43 122.104 122.104 126.225 -4.121 18507 227 1 . 1 1 43 43 LYS HA H 43 4.672 4.672 4.730 -0.058 18507 228 1 . 1 1 43 43 LYS C C 43 174.839 174.839 176.227 -1.388 18507 229 1 . 1 1 43 43 LYS CA C 43 55.293 55.293 54.969 0.325 18507 230 1 . 1 1 43 43 LYS CB C 43 33.338 33.338 33.441 -0.103 18507 231 1 . 1 1 43 43 LYS H H 43 8.466 8.466 8.288 0.178 18507 232 1 . 1 1 44 44 ILE N N 44 128.655 128.655 126.827 1.828 18507 233 1 . 1 1 44 44 ILE HA H 44 4.628 4.628 4.551 0.077 18507 234 1 . 1 1 44 44 ILE CA C 44 58.572 58.572 58.275 0.297 18507 235 1 . 1 1 44 44 ILE CB C 44 40.104 40.104 38.681 1.423 18507 236 1 . 1 1 44 44 ILE H H 44 9.596 9.596 9.089 0.507 18507 237 1 . 1 1 45 45 PRO HA H 45 4.305 4.305 4.374 -0.069 18507 238 1 . 1 1 45 45 PRO C C 45 174.315 174.315 176.087 -1.772 18507 239 1 . 1 1 45 45 PRO CA C 45 62.731 62.731 62.553 0.178 18507 240 1 . 1 1 45 45 PRO CB C 45 32.246 32.246 32.340 -0.094 18507 241 1 . 1 1 46 46 LEU N N 46 122.198 122.198 125.140 -2.942 18507 242 1 . 1 1 46 46 LEU HA H 46 4.513 4.513 4.527 -0.014 18507 243 1 . 1 1 46 46 LEU CA C 46 55.553 55.553 53.921 1.632 18507 244 1 . 1 1 46 46 LEU CB C 46 42.810 42.810 42.964 -0.154 18507 245 1 . 1 1 46 46 LEU H H 46 8.157 8.157 7.526 0.631 18507 246 1 . 1 1 47 47 ILE HA H 47 4.350 4.350 3.881 0.469 18507 247 1 . 1 1 47 47 ILE C C 47 175.903 175.903 176.078 -0.175 18507 248 1 . 1 1 47 47 ILE CA C 47 59.414 59.414 61.170 -1.756 18507 249 1 . 1 1 47 47 ILE CB C 47 39.396 39.396 36.998 2.398 18507 250 1 . 1 1 48 48 LYS N N 48 128.033 128.033 128.971 -0.938 18507 251 1 . 1 1 48 48 LYS HA H 48 3.906 3.906 3.950 -0.044 18507 252 1 . 1 1 48 48 LYS C C 48 176.252 176.252 175.752 0.500 18507 253 1 . 1 1 48 48 LYS CA C 48 56.702 56.702 56.979 -0.277 18507 254 1 . 1 1 48 48 LYS CB C 48 32.596 32.596 32.674 -0.078 18507 255 1 . 1 1 48 48 LYS H H 48 8.661 8.661 8.380 0.282 18507 256 1 . 1 1 49 49 SER N N 49 122.194 122.194 119.004 3.190 18507 257 1 . 1 1 49 49 SER HA H 49 4.367 4.367 4.636 -0.270 18507 258 1 . 1 1 49 49 SER CA C 49 56.282 56.282 56.267 0.015 18507 259 1 . 1 1 49 49 SER CB C 49 62.849 62.849 64.906 -2.058 18507 260 1 . 1 1 49 49 SER H H 49 8.638 8.638 8.110 0.528 18507 261 1 . 1 1 50 50 HIS HA H 50 4.042 4.042 4.349 -0.307 18507 262 1 . 1 1 50 50 HIS CA C 50 57.984 57.984 58.111 -0.127 18507 263 1 . 1 1 50 50 HIS CB C 50 27.897 27.897 29.962 -2.065 18507 264 1 . 1 1 51 51 ASN HA H 51 4.715 4.715 4.594 0.121 18507 265 1 . 1 1 51 51 ASN C C 51 174.091 174.091 174.403 -0.312 18507 266 1 . 1 1 51 51 ASN CA C 51 53.776 53.776 54.073 -0.297 18507 267 1 . 1 1 51 51 ASN CB C 51 39.134 39.134 39.333 -0.199 18507 268 1 . 1 1 52 52 ASP N N 52 119.149 119.149 114.717 4.432 18507 269 1 . 1 1 52 52 ASP HA H 52 4.962 4.962 4.467 0.495 18507 270 1 . 1 1 52 52 ASP C C 52 174.069 174.069 174.151 -0.082 18507 271 1 . 1 1 52 52 ASP CA C 52 53.544 53.544 53.282 0.262 18507 272 1 . 1 1 52 52 ASP CB C 52 43.556 43.556 42.193 1.363 18507 273 1 . 1 1 52 52 ASP H H 52 8.031 8.031 7.453 0.578 18507 274 1 . 1 1 53 53 PHE N N 53 118.169 118.169 117.423 0.746 18507 275 1 . 1 1 53 53 PHE HA H 53 5.150 5.150 4.757 0.393 18507 276 1 . 1 1 53 53 PHE C C 53 175.583 175.583 175.846 -0.263 18507 277 1 . 1 1 53 53 PHE CA C 53 57.372 57.372 58.313 -0.941 18507 278 1 . 1 1 53 53 PHE CB C 53 41.891 41.891 40.349 1.542 18507 279 1 . 1 1 53 53 PHE H H 53 8.534 8.534 8.597 -0.063 18507 280 1 . 1 1 54 54 VAL N N 54 118.983 118.983 116.699 2.284 18507 281 1 . 1 1 54 54 VAL HA H 54 5.325 5.325 4.755 0.570 18507 282 1 . 1 1 54 54 VAL CA C 54 60.134 60.134 60.149 -0.015 18507 283 1 . 1 1 54 54 VAL CB C 54 36.749 36.749 36.366 0.383 18507 284 1 . 1 1 54 54 VAL H H 54 9.324 9.324 8.122 1.202 18507 285 1 . 1 1 55 55 ALA HA H 55 4.707 4.707 4.777 -0.070 18507 286 1 . 1 1 55 55 ALA C C 55 174.786 174.786 175.574 -0.788 18507 287 1 . 1 1 55 55 ALA CA C 55 50.887 50.887 50.461 0.426 18507 288 1 . 1 1 55 55 ALA CB C 55 21.688 21.688 22.275 -0.587 18507 289 1 . 1 1 56 56 ILE N N 56 120.457 120.457 120.446 0.010 18507 290 1 . 1 1 56 56 ILE HA H 56 4.552 4.552 4.357 0.195 18507 291 1 . 1 1 56 56 ILE C C 56 175.419 175.419 174.445 0.974 18507 292 1 . 1 1 56 56 ILE CA C 56 60.922 60.922 59.741 1.181 18507 293 1 . 1 1 56 56 ILE CB C 56 38.491 38.491 38.498 -0.007 18507 294 1 . 1 1 56 56 ILE H H 56 8.239 8.239 8.457 -0.218 18507 295 1 . 1 1 57 57 LEU N N 57 127.392 127.392 123.072 4.320 18507 296 1 . 1 1 57 57 LEU HA H 57 4.506 4.506 4.657 -0.151 18507 297 1 . 1 1 57 57 LEU C C 57 175.108 175.108 175.153 -0.045 18507 298 1 . 1 1 57 57 LEU CA C 57 52.742 52.742 52.804 -0.062 18507 299 1 . 1 1 57 57 LEU CB C 57 45.170 45.170 45.763 -0.594 18507 300 1 . 1 1 57 57 LEU H H 57 8.828 8.828 7.880 0.948 18507 301 1 . 1 1 58 58 ASP N N 58 124.255 124.255 121.298 2.957 18507 302 1 . 1 1 58 58 ASP HA H 58 4.628 4.628 4.722 -0.094 18507 303 1 . 1 1 58 58 ASP C C 58 175.066 175.066 175.756 -0.690 18507 304 1 . 1 1 58 58 ASP CA C 58 52.941 52.941 54.228 -1.287 18507 305 1 . 1 1 58 58 ASP CB C 58 39.707 39.707 40.402 -0.695 18507 306 1 . 1 1 58 58 ASP H H 58 8.571 8.571 8.317 0.254 18507 307 1 . 1 1 59 59 LEU N N 59 124.092 124.092 125.167 -1.075 18507 308 1 . 1 1 59 59 LEU HA H 59 4.535 4.535 4.765 -0.230 18507 309 1 . 1 1 59 59 LEU CA C 59 50.873 50.873 51.284 -0.411 18507 310 1 . 1 1 59 59 LEU CB C 59 43.034 43.034 43.387 -0.353 18507 311 1 . 1 1 59 59 LEU H H 59 7.681 7.681 8.063 -0.382 18507 312 1 . 1 1 60 60 PRO HA H 60 4.601 4.601 4.494 0.107 18507 313 1 . 1 1 60 60 PRO C C 60 175.599 175.599 176.085 -0.486 18507 314 1 . 1 1 60 60 PRO CA C 60 61.482 61.482 62.120 -0.638 18507 315 1 . 1 1 60 60 PRO CB C 60 32.668 32.668 32.616 0.052 18507 316 1 . 1 1 61 61 GLU N N 61 119.164 119.164 121.870 -2.706 18507 317 1 . 1 1 61 61 GLU HA H 61 3.859 3.859 4.009 -0.150 18507 318 1 . 1 1 61 61 GLU C C 61 176.121 176.121 175.775 0.346 18507 319 1 . 1 1 61 61 GLU CA C 61 57.458 57.458 57.740 -0.282 18507 320 1 . 1 1 61 61 GLU CB C 61 30.249 30.249 29.083 1.166 18507 321 1 . 1 1 61 61 GLU H H 61 8.500 8.500 8.603 -0.103 18507 322 1 . 1 1 62 62 GLY N N 62 111.529 111.529 114.581 -3.052 18507 323 1 . 1 1 62 62 GLY C C 62 171.313 171.313 171.585 -0.272 18507 324 1 . 1 1 62 62 GLY CA C 62 43.469 43.469 45.113 -1.644 18507 325 1 . 1 1 62 62 GLY H H 62 8.845 8.845 8.160 0.685 18507 326 1 . 1 1 63 63 GLU N N 63 119.100 119.100 122.066 -2.966 18507 327 1 . 1 1 63 63 GLU HA H 63 4.782 4.782 4.683 0.099 18507 328 1 . 1 1 63 63 GLU C C 63 175.530 175.530 174.596 0.934 18507 329 1 . 1 1 63 63 GLU CA C 63 54.978 54.978 54.802 0.176 18507 330 1 . 1 1 63 63 GLU CB C 63 31.383 31.383 32.107 -0.724 18507 331 1 . 1 1 63 63 GLU H H 63 8.015 8.015 8.210 -0.195 18507 332 1 . 1 1 64 64 HIS N N 64 121.786 121.786 121.734 0.052 18507 333 1 . 1 1 64 64 HIS HA H 64 4.817 4.817 5.041 -0.224 18507 334 1 . 1 1 64 64 HIS C C 64 174.358 174.358 173.381 0.977 18507 335 1 . 1 1 64 64 HIS CA C 64 54.970 54.970 54.459 0.511 18507 336 1 . 1 1 64 64 HIS CB C 64 34.109 34.109 33.156 0.953 18507 337 1 . 1 1 64 64 HIS H H 64 8.830 8.830 8.973 -0.143 18507 338 1 . 1 1 65 65 GLN N N 65 121.667 121.667 118.605 3.062 18507 339 1 . 1 1 65 65 GLN HA H 65 5.761 5.761 4.905 0.856 18507 340 1 . 1 1 65 65 GLN C C 65 175.833 175.833 174.601 1.232 18507 341 1 . 1 1 65 65 GLN CA C 65 53.833 53.833 55.051 -1.218 18507 342 1 . 1 1 65 65 GLN CB C 65 32.265 32.265 31.743 0.522 18507 343 1 . 1 1 65 65 GLN H H 65 8.637 8.637 8.884 -0.247 18507 344 1 . 1 1 66 66 TYR N N 66 116.908 116.908 120.324 -3.416 18507 345 1 . 1 1 66 66 TYR HA H 66 5.175 5.175 5.341 -0.166 18507 346 1 . 1 1 66 66 TYR C C 66 171.751 171.751 173.927 -2.176 18507 347 1 . 1 1 66 66 TYR CA C 66 56.983 56.983 54.746 2.237 18507 348 1 . 1 1 66 66 TYR CB C 66 40.730 40.730 41.637 -0.907 18507 349 1 . 1 1 66 66 TYR H H 66 8.894 8.894 7.755 1.139 18507 350 1 . 1 1 67 67 LYS N N 67 118.307 118.307 118.014 0.293 18507 351 1 . 1 1 67 67 LYS HA H 67 4.633 4.633 4.773 -0.140 18507 352 1 . 1 1 67 67 LYS C C 67 173.317 173.317 174.971 -1.654 18507 353 1 . 1 1 67 67 LYS CA C 67 56.876 56.876 54.989 1.887 18507 354 1 . 1 1 67 67 LYS CB C 67 37.200 37.200 36.871 0.329 18507 355 1 . 1 1 67 67 LYS H H 67 8.927 8.927 8.450 0.477 18507 356 1 . 1 1 68 68 PHE N N 68 118.691 118.691 122.460 -3.769 18507 357 1 . 1 1 68 68 PHE HA H 68 5.531 5.531 5.245 0.286 18507 358 1 . 1 1 68 68 PHE C C 68 173.861 173.861 175.448 -1.587 18507 359 1 . 1 1 68 68 PHE CA C 68 56.948 56.948 56.491 0.457 18507 360 1 . 1 1 68 68 PHE CB C 68 41.272 41.272 41.053 0.219 18507 361 1 . 1 1 68 68 PHE H H 68 8.436 8.436 8.304 0.132 18507 362 1 . 1 1 69 69 PHE N N 69 125.718 125.718 123.911 1.807 18507 363 1 . 1 1 69 69 PHE HA H 69 4.723 4.723 4.982 -0.259 18507 364 1 . 1 1 69 69 PHE C C 69 174.574 174.574 173.271 1.303 18507 365 1 . 1 1 69 69 PHE CA C 69 55.836 55.836 56.565 -0.729 18507 366 1 . 1 1 69 69 PHE CB C 69 40.156 40.156 40.640 -0.484 18507 367 1 . 1 1 69 69 PHE H H 69 9.000 9.000 8.697 0.303 18507 368 1 . 1 1 70 70 VAL N N 70 126.808 126.808 125.426 1.382 18507 369 1 . 1 1 70 70 VAL HA H 70 4.323 4.323 4.608 -0.285 18507 370 1 . 1 1 70 70 VAL C C 70 175.641 175.641 175.527 0.114 18507 371 1 . 1 1 70 70 VAL CA C 70 60.508 60.508 59.436 1.072 18507 372 1 . 1 1 70 70 VAL CB C 70 33.470 33.470 34.615 -1.145 18507 373 1 . 1 1 70 70 VAL H H 70 8.688 8.688 7.995 0.693 18507 374 1 . 1 1 71 71 ASP N N 71 128.747 128.747 125.490 3.257 18507 375 1 . 1 1 71 71 ASP HA H 71 4.235 4.235 4.173 0.062 18507 376 1 . 1 1 71 71 ASP C C 71 176.119 176.119 176.269 -0.150 18507 377 1 . 1 1 71 71 ASP CA C 71 55.649 55.649 54.879 0.770 18507 378 1 . 1 1 71 71 ASP CB C 71 39.629 39.629 39.802 -0.173 18507 379 1 . 1 1 71 71 ASP H H 71 8.890 8.890 9.101 -0.211 18507 380 1 . 1 1 72 72 GLY N N 72 100.856 100.856 103.971 -3.115 18507 381 1 . 1 1 72 72 GLY C C 72 173.149 173.149 173.176 -0.027 18507 382 1 . 1 1 72 72 GLY CA C 72 45.255 45.255 45.206 0.049 18507 383 1 . 1 1 72 72 GLY H H 72 7.437 7.437 8.391 -0.954 18507 384 1 . 1 1 73 73 GLN N N 73 117.716 117.716 114.162 3.554 18507 385 1 . 1 1 73 73 GLN HA H 73 4.480 4.480 4.374 0.106 18507 386 1 . 1 1 73 73 GLN C C 73 173.981 173.981 173.102 0.879 18507 387 1 . 1 1 73 73 GLN CA C 73 53.285 53.285 53.037 0.248 18507 388 1 . 1 1 73 73 GLN CB C 73 31.910 31.910 30.667 1.243 18507 389 1 . 1 1 73 73 GLN H H 73 6.923 6.923 6.558 0.366 18507 390 1 . 1 1 74 74 TRP N N 74 123.738 123.738 121.826 1.912 18507 391 1 . 1 1 74 74 TRP HA H 74 5.813 5.813 5.198 0.615 18507 392 1 . 1 1 74 74 TRP C C 74 177.239 177.239 177.088 0.151 18507 393 1 . 1 1 74 74 TRP CA C 74 56.788 56.788 57.307 -0.519 18507 394 1 . 1 1 74 74 TRP CB C 74 29.918 29.918 29.907 0.011 18507 395 1 . 1 1 74 74 TRP H H 74 8.836 8.836 8.719 0.117 18507 396 1 . 1 1 75 75 VAL N N 75 121.900 121.900 119.729 2.171 18507 397 1 . 1 1 75 75 VAL HA H 75 4.986 4.986 4.690 0.297 18507 398 1 . 1 1 75 75 VAL C C 75 172.903 172.903 173.974 -1.071 18507 399 1 . 1 1 75 75 VAL CA C 75 60.625 60.625 59.466 1.159 18507 400 1 . 1 1 75 75 VAL CB C 75 36.654 36.654 35.516 1.138 18507 401 1 . 1 1 75 75 VAL H H 75 10.049 10.049 8.732 1.317 18507 402 1 . 1 1 76 76 HIS N N 76 119.400 119.400 115.798 3.602 18507 403 1 . 1 1 76 76 HIS HA H 76 5.578 5.578 5.234 0.344 18507 404 1 . 1 1 76 76 HIS C C 76 173.084 173.084 173.561 -0.477 18507 405 1 . 1 1 76 76 HIS CA C 76 54.260 54.260 54.297 -0.037 18507 406 1 . 1 1 76 76 HIS CB C 76 32.807 32.807 32.671 0.136 18507 407 1 . 1 1 76 76 HIS H H 76 7.758 7.758 8.156 -0.398 18507 408 1 . 1 1 77 77 ASP N N 77 121.057 121.057 121.824 -0.767 18507 409 1 . 1 1 77 77 ASP HA H 77 5.104 5.104 5.150 -0.046 18507 410 1 . 1 1 77 77 ASP CA C 77 50.464 50.464 51.062 -0.598 18507 411 1 . 1 1 77 77 ASP CB C 77 42.269 42.269 42.598 -0.329 18507 412 1 . 1 1 77 77 ASP H H 77 10.717 10.717 8.989 1.728 18507 413 1 . 1 1 78 78 PRO HA H 78 4.535 4.535 4.565 -0.030 18507 414 1 . 1 1 78 78 PRO C C 78 177.387 177.387 177.452 -0.065 18507 415 1 . 1 1 78 78 PRO CA C 78 63.597 63.597 64.344 -0.747 18507 416 1 . 1 1 78 78 PRO CB C 78 32.326 32.326 32.493 -0.167 18507 417 1 . 1 1 79 79 SER N N 79 116.058 116.058 113.216 2.842 18507 418 1 . 1 1 79 79 SER HA H 79 4.477 4.477 4.440 0.037 18507 419 1 . 1 1 79 79 SER C C 79 173.819 173.819 174.915 -1.096 18507 420 1 . 1 1 79 79 SER CA C 79 59.369 59.369 59.228 0.141 18507 421 1 . 1 1 79 79 SER CB C 79 63.875 63.875 63.495 0.380 18507 422 1 . 1 1 79 79 SER H H 79 8.853 8.853 8.205 0.648 18507 423 1 . 1 1 80 80 GLU N N 80 122.620 122.620 120.574 2.046 18507 424 1 . 1 1 80 80 GLU HA H 80 4.959 4.959 4.699 0.260 18507 425 1 . 1 1 80 80 GLU CA C 80 53.401 53.401 53.996 -0.595 18507 426 1 . 1 1 80 80 GLU CB C 80 30.620 30.620 30.107 0.513 18507 427 1 . 1 1 80 80 GLU H H 80 7.332 7.332 7.561 -0.229 18507 428 1 . 1 1 81 81 PRO HA H 81 4.439 4.439 4.464 -0.025 18507 429 1 . 1 1 81 81 PRO C C 81 177.020 177.020 175.692 1.327 18507 430 1 . 1 1 81 81 PRO CA C 81 63.696 63.696 63.048 0.648 18507 431 1 . 1 1 81 81 PRO CB C 81 28.219 28.219 30.238 -2.019 18507 432 1 . 1 1 82 82 VAL N N 82 114.720 114.720 117.515 -2.795 18507 433 1 . 1 1 82 82 VAL HA H 82 5.467 5.467 4.913 0.554 18507 434 1 . 1 1 82 82 VAL C C 82 175.787 175.787 174.984 0.803 18507 435 1 . 1 1 82 82 VAL CA C 82 58.599 58.599 59.642 -1.044 18507 436 1 . 1 1 82 82 VAL CB C 82 36.758 36.758 33.724 3.034 18507 437 1 . 1 1 82 82 VAL H H 82 8.221 8.221 7.888 0.333 18507 438 1 . 1 1 83 83 VAL N N 83 117.999 117.999 122.471 -4.472 18507 439 1 . 1 1 83 83 VAL HA H 83 4.410 4.410 4.450 -0.041 18507 440 1 . 1 1 83 83 VAL C C 83 173.384 173.384 174.334 -0.950 18507 441 1 . 1 1 83 83 VAL CA C 83 59.533 59.533 60.283 -0.750 18507 442 1 . 1 1 83 83 VAL CB C 83 35.305 35.305 36.026 -0.721 18507 443 1 . 1 1 83 83 VAL H H 83 8.898 8.898 8.869 0.029 18507 444 1 . 1 1 84 84 THR N N 84 120.469 120.469 123.266 -2.797 18507 445 1 . 1 1 84 84 THR HA H 84 4.751 4.751 4.447 0.304 18507 446 1 . 1 1 84 84 THR C C 84 174.975 174.975 174.119 0.856 18507 447 1 . 1 1 84 84 THR CA C 84 61.446 61.446 62.724 -1.278 18507 448 1 . 1 1 84 84 THR CB C 84 68.959 68.959 68.482 0.477 18507 449 1 . 1 1 84 84 THR H H 84 8.309 8.309 8.355 -0.046 18507 450 1 . 1 1 85 85 SER N N 85 123.544 123.544 121.507 2.037 18507 451 1 . 1 1 85 85 SER HA H 85 4.533 4.533 4.308 0.225 18507 452 1 . 1 1 85 85 SER CA C 85 57.027 57.027 57.915 -0.888 18507 453 1 . 1 1 85 85 SER CB C 85 65.264 65.264 64.484 0.780 18507 454 1 . 1 1 85 85 SER H H 85 9.137 9.137 8.411 0.726 18507 455 1 . 1 1 86 86 GLN HA H 86 4.092 4.092 4.153 -0.061 18507 456 1 . 1 1 86 86 GLN C C 86 176.451 176.451 175.952 0.499 18507 457 1 . 1 1 86 86 GLN CA C 86 58.070 58.070 58.045 0.025 18507 458 1 . 1 1 86 86 GLN CB C 86 28.135 28.135 28.254 -0.119 18507 459 1 . 1 1 87 87 LEU N N 87 117.032 117.032 119.143 -2.111 18507 460 1 . 1 1 87 87 LEU HA H 87 4.259 4.259 4.450 -0.191 18507 461 1 . 1 1 87 87 LEU C C 87 177.470 177.470 177.465 0.005 18507 462 1 . 1 1 87 87 LEU CA C 87 54.650 54.650 54.307 0.343 18507 463 1 . 1 1 87 87 LEU CB C 87 41.676 41.676 40.697 0.979 18507 464 1 . 1 1 87 87 LEU H H 87 7.692 7.692 7.793 -0.101 18507 465 1 . 1 1 88 88 GLY N N 88 107.770 107.770 108.340 -0.570 18507 466 1 . 1 1 88 88 GLY C C 88 174.029 174.029 174.097 -0.068 18507 467 1 . 1 1 88 88 GLY CA C 88 45.262 45.262 45.730 -0.468 18507 468 1 . 1 1 88 88 GLY H H 88 7.932 7.932 7.963 -0.032 18507 469 1 . 1 1 89 89 THR N N 89 112.596 112.596 112.772 -0.176 18507 470 1 . 1 1 89 89 THR HA H 89 4.259 4.259 4.555 -0.296 18507 471 1 . 1 1 89 89 THR C C 89 172.837 172.837 174.390 -1.553 18507 472 1 . 1 1 89 89 THR CA C 89 60.743 60.743 59.913 0.830 18507 473 1 . 1 1 89 89 THR CB C 89 69.845 69.845 70.141 -0.296 18507 474 1 . 1 1 89 89 THR H H 89 7.148 7.148 7.322 -0.175 18507 475 1 . 1 1 90 90 ILE N N 90 123.927 123.927 126.965 -3.038 18507 476 1 . 1 1 90 90 ILE HA H 90 4.410 4.410 4.207 0.203 18507 477 1 . 1 1 90 90 ILE C C 90 175.007 175.007 175.265 -0.258 18507 478 1 . 1 1 90 90 ILE CA C 90 60.551 60.551 60.720 -0.169 18507 479 1 . 1 1 90 90 ILE CB C 90 38.935 38.935 36.867 2.068 18507 480 1 . 1 1 90 90 ILE H H 90 8.514 8.514 8.790 -0.276 18507 481 1 . 1 1 91 91 ASN N N 91 123.450 123.450 122.351 1.099 18507 482 1 . 1 1 91 91 ASN HA H 91 5.287 5.287 4.923 0.364 18507 483 1 . 1 1 91 91 ASN C C 91 175.916 175.916 173.603 2.313 18507 484 1 . 1 1 91 91 ASN CA C 91 50.976 50.976 51.740 -0.764 18507 485 1 . 1 1 91 91 ASN CB C 91 42.176 42.176 41.284 0.892 18507 486 1 . 1 1 91 91 ASN H H 91 8.497 8.497 8.634 -0.137 18507 487 1 . 1 1 92 92 ASN N N 92 115.675 115.675 117.561 -1.886 18507 488 1 . 1 1 92 92 ASN HA H 92 5.611 5.611 4.682 0.929 18507 489 1 . 1 1 92 92 ASN C C 92 173.765 173.765 173.924 -0.159 18507 490 1 . 1 1 92 92 ASN CA C 92 54.812 54.812 53.793 1.019 18507 491 1 . 1 1 92 92 ASN CB C 92 41.743 41.743 38.991 2.752 18507 492 1 . 1 1 92 92 ASN H H 92 8.721 8.721 8.401 0.320 18507 493 1 . 1 1 93 93 LEU N N 93 120.001 120.001 120.036 -0.035 18507 494 1 . 1 1 93 93 LEU HA H 93 5.337 5.337 4.717 0.620 18507 495 1 . 1 1 93 93 LEU C C 93 175.864 175.864 175.034 0.830 18507 496 1 . 1 1 93 93 LEU CA C 93 53.522 53.522 54.124 -0.602 18507 497 1 . 1 1 93 93 LEU CB C 93 47.123 47.123 45.563 1.560 18507 498 1 . 1 1 93 93 LEU H H 93 7.661 7.661 7.955 -0.294 18507 499 1 . 1 1 94 94 ILE N N 94 124.682 124.682 124.927 -0.245 18507 500 1 . 1 1 94 94 ILE HA H 94 4.847 4.847 4.598 0.249 18507 501 1 . 1 1 94 94 ILE C C 94 172.078 172.078 173.260 -1.182 18507 502 1 . 1 1 94 94 ILE CA C 94 59.351 59.351 60.123 -0.772 18507 503 1 . 1 1 94 94 ILE CB C 94 42.091 42.091 42.499 -0.408 18507 504 1 . 1 1 94 94 ILE H H 94 9.282 9.282 9.223 0.059 18507 505 1 . 1 1 95 95 HIS N N 95 126.782 126.782 126.569 0.213 18507 506 1 . 1 1 95 95 HIS HA H 95 5.110 5.110 5.120 -0.010 18507 507 1 . 1 1 95 95 HIS C C 95 174.655 174.655 174.246 0.409 18507 508 1 . 1 1 95 95 HIS CA C 95 54.334 54.334 54.605 -0.271 18507 509 1 . 1 1 95 95 HIS CB C 95 31.399 31.399 30.732 0.667 18507 510 1 . 1 1 95 95 HIS H H 95 8.690 8.690 8.598 0.092 18507 511 1 . 1 1 96 96 VAL N N 96 128.616 128.616 125.109 3.507 18507 512 1 . 1 1 96 96 VAL HA H 96 4.115 4.115 4.300 -0.186 18507 513 1 . 1 1 96 96 VAL C C 96 175.515 175.515 175.423 0.092 18507 514 1 . 1 1 96 96 VAL CA C 96 62.502 62.502 61.761 0.741 18507 515 1 . 1 1 96 96 VAL CB C 96 32.332 32.332 33.054 -0.722 18507 516 1 . 1 1 96 96 VAL H H 96 9.082 9.082 8.639 0.443 18507 517 1 . 1 1 97 97 LYS N N 97 128.692 128.692 125.340 3.352 18507 518 1 . 1 1 97 97 LYS HA H 97 4.550 4.550 4.640 -0.090 18507 519 1 . 1 1 97 97 LYS C C 97 176.019 176.019 175.344 0.675 18507 520 1 . 1 1 97 97 LYS CA C 97 55.091 55.091 54.467 0.624 18507 521 1 . 1 1 97 97 LYS CB C 97 34.588 34.588 34.989 -0.400 18507 522 1 . 1 1 97 97 LYS H H 97 8.708 8.708 8.381 0.327 18507 523 1 . 1 1 98 98 LYS N N 98 122.635 122.635 119.785 2.850 18507 524 1 . 1 1 98 98 LYS HA H 98 4.122 4.122 4.518 -0.396 18507 525 1 . 1 1 98 98 LYS C C 98 176.947 176.947 176.132 0.815 18507 526 1 . 1 1 98 98 LYS CA C 98 57.232 57.232 55.993 1.239 18507 527 1 . 1 1 98 98 LYS CB C 98 32.849 32.849 33.499 -0.650 18507 528 1 . 1 1 98 98 LYS H H 98 8.717 8.717 8.330 0.387 18507 529 1 . 1 1 99 99 SER N N 99 116.737 116.737 114.997 1.740 18507 530 1 . 1 1 99 99 SER HA H 99 4.357 4.357 4.651 -0.294 18507 531 1 . 1 1 99 99 SER C C 99 174.335 174.335 174.032 0.303 18507 532 1 . 1 1 99 99 SER CA C 99 58.240 58.240 58.097 0.143 18507 533 1 . 1 1 99 99 SER CB C 99 63.664 63.664 63.632 0.032 18507 534 1 . 1 1 99 99 SER H H 99 8.393 8.393 8.646 -0.253 18507 535 1 . 1 1 100 100 ASP N N 100 122.287 122.287 120.675 1.612 18507 536 1 . 1 1 100 100 ASP HA H 100 4.526 4.526 4.668 -0.142 18507 537 1 . 1 1 100 100 ASP C C 100 175.823 175.823 176.565 -0.742 18507 538 1 . 1 1 100 100 ASP CA C 100 54.813 54.813 54.793 0.020 18507 539 1 . 1 1 100 100 ASP CB C 100 40.938 40.938 41.117 -0.179 18507 540 1 . 1 1 100 100 ASP H H 100 8.288 8.288 8.364 -0.076 18507 541 1 . 1 1 101 101 PHE N N 101 118.668 118.668 118.056 0.612 18507 542 1 . 1 1 101 101 PHE HA H 101 4.575 4.575 4.396 0.179 18507 543 1 . 1 1 101 101 PHE C C 101 175.279 175.279 176.343 -1.064 18507 544 1 . 1 1 101 101 PHE CA C 101 57.462 57.462 59.553 -2.091 18507 545 1 . 1 1 101 101 PHE CB C 101 39.557 39.557 39.468 0.089 18507 546 1 . 1 1 101 101 PHE H H 101 7.923 7.923 7.855 0.068 18507 547 1 . 1 1 102 102 GLU N N 102 122.081 122.081 118.717 3.364 18507 548 1 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.873 0.307 18507 549 1 . 1 1 102 102 GLU C C 102 175.388 175.388 176.454 -1.066 18507 550 1 . 1 1 102 102 GLU CA C 102 56.308 56.308 57.837 -1.529 18507 551 1 . 1 1 102 102 GLU CB C 102 30.585 30.585 29.440 1.145 18507 552 1 . 1 1 102 102 GLU H H 102 8.138 8.138 8.236 -0.098 18507 553 1 . 1 1 103 103 VAL N N 103 120.545 120.545 119.172 1.373 18507 554 1 . 1 1 103 103 VAL HA H 103 4.024 4.024 3.974 0.050 18507 555 1 . 1 1 103 103 VAL C C 103 175.359 175.359 175.438 -0.079 18507 556 1 . 1 1 103 103 VAL CA C 103 61.673 61.673 61.843 -0.170 18507 557 1 . 1 1 103 103 VAL CB C 103 33.098 33.098 32.332 0.766 18507 558 1 . 1 1 103 103 VAL H H 103 7.934 7.934 7.431 0.503 18507 559 1 . 1 1 104 104 PHE N N 104 124.359 124.359 123.895 0.464 18507 560 1 . 1 1 104 104 PHE HA H 104 4.695 4.695 4.592 0.103 18507 561 1 . 1 1 104 104 PHE C C 104 174.530 174.530 175.872 -1.342 18507 562 1 . 1 1 104 104 PHE CA C 104 57.140 57.140 58.351 -1.211 18507 563 1 . 1 1 104 104 PHE CB C 104 39.964 39.964 39.363 0.601 18507 564 1 . 1 1 104 104 PHE H H 104 8.340 8.340 8.402 -0.062 18507 stop_ save_