data_19415 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19415 _Entry.PDB_ID 2MBV 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 19415 _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 78 78 ILE N N 78 124.415 124.415 121.820 2.595 19415 2 1 1 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.119 -0.077 19415 3 1 1 . 1 1 78 78 ILE C C 78 175.260 175.260 175.122 0.138 19415 4 1 1 . 1 1 78 78 ILE CA C 78 60.727 60.727 62.251 -1.524 19415 5 1 1 . 1 1 78 78 ILE CB C 78 38.922 38.922 37.527 1.395 19415 6 1 1 . 1 1 78 78 ILE H H 78 8.025 8.025 7.778 0.247 19415 7 1 1 . 1 1 79 79 ARG N N 79 125.999 125.999 125.237 0.762 19415 8 1 1 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.406 -0.191 19415 9 1 1 . 1 1 79 79 ARG C C 79 175.494 175.494 176.523 -1.029 19415 10 1 1 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.534 0.322 19415 11 1 1 . 1 1 79 79 ARG CB C 79 30.774 30.774 31.099 -0.325 19415 12 1 1 . 1 1 79 79 ARG H H 79 8.249 8.249 8.007 0.242 19415 13 1 1 . 1 1 80 80 LEU N N 80 124.427 124.427 120.257 4.170 19415 14 1 1 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.771 -0.479 19415 15 1 1 . 1 1 80 80 LEU C C 80 176.785 176.785 175.667 1.118 19415 16 1 1 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.551 1.269 19415 17 1 1 . 1 1 80 80 LEU CB C 80 42.520 42.520 40.546 1.974 19415 18 1 1 . 1 1 80 80 LEU H H 80 8.190 8.190 7.661 0.529 19415 19 1 1 . 1 1 81 81 PHE N N 81 120.462 120.462 118.600 1.862 19415 20 1 1 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.018 0.606 19415 21 1 1 . 1 1 81 81 PHE C C 81 176.212 176.212 175.367 0.845 19415 22 1 1 . 1 1 81 81 PHE CA C 81 57.570 57.570 59.337 -1.767 19415 23 1 1 . 1 1 81 81 PHE CB C 81 39.802 39.802 37.740 2.062 19415 24 1 1 . 1 1 81 81 PHE H H 81 8.244 8.244 7.642 0.602 19415 25 1 1 . 1 1 82 82 GLY N N 82 110.003 110.003 106.553 3.450 19415 26 1 1 . 1 1 82 82 GLY C C 82 173.730 173.730 172.514 1.216 19415 27 1 1 . 1 1 82 82 GLY CA C 82 45.415 45.415 44.781 0.635 19415 28 1 1 . 1 1 82 82 GLY H H 82 8.351 8.351 7.873 0.478 19415 29 1 1 . 1 1 83 83 ASN N N 83 118.840 118.840 120.771 -1.931 19415 30 1 1 . 1 1 83 83 ASN HA H 83 4.794 4.794 5.012 -0.218 19415 31 1 1 . 1 1 83 83 ASN C C 83 175.312 175.312 175.170 0.142 19415 32 1 1 . 1 1 83 83 ASN CA C 83 52.996 52.996 52.703 0.293 19415 33 1 1 . 1 1 83 83 ASN CB C 83 39.137 39.137 38.343 0.794 19415 34 1 1 . 1 1 83 83 ASN H H 83 8.325 8.325 8.478 -0.153 19415 35 1 1 . 1 1 84 84 SER N N 84 116.555 116.555 117.526 -0.971 19415 36 1 1 . 1 1 84 84 SER CA C 84 58.823 58.823 59.052 -0.229 19415 37 1 1 . 1 1 84 84 SER CB C 84 63.887 63.887 65.243 -1.356 19415 38 1 1 . 1 1 84 84 SER H H 84 8.463 8.463 8.706 -0.243 19415 39 1 1 . 1 1 85 85 GLY N N 85 109.826 109.826 109.111 0.715 19415 40 1 1 . 1 1 85 85 GLY C C 85 172.709 172.709 171.602 1.107 19415 41 1 1 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.780 -0.627 19415 42 1 1 . 1 1 85 85 GLY H H 85 8.341 8.341 7.689 0.652 19415 43 1 1 . 1 1 86 86 ALA N N 86 122.100 122.100 122.420 -0.320 19415 44 1 1 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.656 -0.209 19415 45 1 1 . 1 1 86 86 ALA C C 86 175.383 175.383 175.027 0.356 19415 46 1 1 . 1 1 86 86 ALA CA C 86 50.523 50.523 51.040 -0.517 19415 47 1 1 . 1 1 86 86 ALA CB C 86 20.712 20.712 22.378 -1.667 19415 48 1 1 . 1 1 86 86 ALA H H 86 7.703 7.703 8.025 -0.322 19415 49 1 1 . 1 1 87 87 CYS N N 87 121.922 121.922 118.854 3.068 19415 50 1 1 . 1 1 87 87 CYS HA H 87 4.197 4.197 5.222 -1.025 19415 51 1 1 . 1 1 87 87 CYS C C 87 178.454 178.454 176.702 1.752 19415 52 1 1 . 1 1 87 87 CYS CA C 87 58.515 58.515 55.830 2.685 19415 53 1 1 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.955 2.645 19415 54 1 1 . 1 1 87 87 CYS H H 87 7.968 7.968 8.626 -0.658 19415 55 1 1 . 1 1 88 88 SER N N 88 126.804 126.804 120.892 5.912 19415 56 1 1 . 1 1 88 88 SER HA H 88 4.174 4.174 4.459 -0.285 19415 57 1 1 . 1 1 88 88 SER C C 88 173.647 173.647 175.781 -2.134 19415 58 1 1 . 1 1 88 88 SER CA C 88 62.158 62.158 60.499 1.659 19415 59 1 1 . 1 1 88 88 SER CB C 88 63.401 63.401 63.030 0.371 19415 60 1 1 . 1 1 88 88 SER H H 88 9.202 9.202 8.293 0.909 19415 61 1 1 . 1 1 89 89 ALA N N 89 123.763 123.763 123.499 0.264 19415 62 1 1 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.406 0.430 19415 63 1 1 . 1 1 89 89 ALA C C 89 178.007 178.007 178.299 -0.292 19415 64 1 1 . 1 1 89 89 ALA CA C 89 53.933 53.933 54.592 -0.659 19415 65 1 1 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.229 2.016 19415 66 1 1 . 1 1 89 89 ALA H H 89 8.964 8.964 7.889 1.075 19415 67 1 1 . 1 1 90 90 CYS N N 90 115.099 115.099 111.670 3.429 19415 68 1 1 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.926 0.106 19415 69 1 1 . 1 1 90 90 CYS C C 90 177.164 177.164 175.969 1.195 19415 70 1 1 . 1 1 90 90 CYS CA C 90 58.754 58.754 58.288 0.466 19415 71 1 1 . 1 1 90 90 CYS CB C 90 31.688 31.688 30.428 1.260 19415 72 1 1 . 1 1 90 90 CYS H H 90 8.078 8.078 8.208 -0.130 19415 73 1 1 . 1 1 91 91 GLY N N 91 112.869 112.869 111.099 1.770 19415 74 1 1 . 1 1 91 91 GLY C C 91 173.725 173.725 175.082 -1.357 19415 75 1 1 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.762 0.541 19415 76 1 1 . 1 1 91 91 GLY H H 91 7.996 7.996 8.013 -0.017 19415 77 1 1 . 1 1 92 92 GLN N N 92 119.848 119.848 122.266 -2.418 19415 78 1 1 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.357 0.218 19415 79 1 1 . 1 1 92 92 GLN C C 92 176.015 176.015 175.197 0.818 19415 80 1 1 . 1 1 92 92 GLN CA C 92 54.954 54.954 54.487 0.467 19415 81 1 1 . 1 1 92 92 GLN CB C 92 30.026 30.026 27.039 2.987 19415 82 1 1 . 1 1 92 92 GLN H H 92 8.341 8.341 7.839 0.502 19415 83 1 1 . 1 1 93 93 SER N N 93 116.734 116.734 114.657 2.077 19415 84 1 1 . 1 1 93 93 SER C C 93 173.776 173.776 173.479 0.297 19415 85 1 1 . 1 1 93 93 SER CA C 93 59.491 59.491 59.766 -0.275 19415 86 1 1 . 1 1 93 93 SER CB C 93 63.707 63.707 62.900 0.807 19415 87 1 1 . 1 1 93 93 SER H H 93 8.656 8.656 8.538 0.118 19415 88 1 1 . 1 1 94 94 ILE N N 94 126.045 126.045 124.115 1.930 19415 89 1 1 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.794 -0.452 19415 90 1 1 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.754 -0.229 19415 91 1 1 . 1 1 94 94 ILE CB C 94 39.907 39.907 38.676 1.231 19415 92 1 1 . 1 1 94 94 ILE H H 94 8.281 8.281 8.108 0.173 19415 93 1 1 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.702 -0.229 19415 94 1 1 . 1 1 95 95 PRO C C 95 176.605 176.605 176.887 -0.282 19415 95 1 1 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.233 0.619 19415 96 1 1 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.502 0.289 19415 97 1 1 . 1 1 96 96 ALA N N 96 122.591 122.591 123.828 -1.237 19415 98 1 1 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.218 -0.218 19415 99 1 1 . 1 1 96 96 ALA C C 96 177.763 177.763 178.362 -0.599 19415 100 1 1 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.790 0.815 19415 101 1 1 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.584 0.522 19415 102 1 1 . 1 1 96 96 ALA H H 96 8.400 8.400 8.445 -0.045 19415 103 1 1 . 1 1 97 97 SER N N 97 107.288 107.288 113.472 -6.184 19415 104 1 1 . 1 1 97 97 SER HA H 97 4.270 4.270 4.334 -0.064 19415 105 1 1 . 1 1 97 97 SER C C 97 174.625 174.625 174.164 0.461 19415 106 1 1 . 1 1 97 97 SER CA C 97 58.532 58.532 59.257 -0.725 19415 107 1 1 . 1 1 97 97 SER CB C 97 63.538 63.538 63.550 -0.012 19415 108 1 1 . 1 1 97 97 SER H H 97 7.796 7.796 8.017 -0.221 19415 109 1 1 . 1 1 98 98 GLU N N 98 124.231 124.231 121.456 2.775 19415 110 1 1 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.443 -0.186 19415 111 1 1 . 1 1 98 98 GLU C C 98 175.476 175.476 175.207 0.269 19415 112 1 1 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.349 1.172 19415 113 1 1 . 1 1 98 98 GLU CB C 98 31.081 31.081 30.674 0.407 19415 114 1 1 . 1 1 98 98 GLU H H 98 7.649 7.649 7.974 -0.325 19415 115 1 1 . 1 1 99 99 LEU N N 99 122.696 122.696 125.849 -3.153 19415 116 1 1 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.200 0.305 19415 117 1 1 . 1 1 99 99 LEU C C 99 176.253 176.253 176.363 -0.110 19415 118 1 1 . 1 1 99 99 LEU CA C 99 54.635 54.635 55.144 -0.509 19415 119 1 1 . 1 1 99 99 LEU CB C 99 42.967 42.967 42.110 0.857 19415 120 1 1 . 1 1 99 99 LEU H H 99 8.250 8.250 8.629 -0.379 19415 121 1 1 . 1 1 100 100 VAL N N 100 112.933 112.933 116.141 -3.208 19415 122 1 1 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.581 0.322 19415 123 1 1 . 1 1 100 100 VAL C C 100 175.544 175.544 174.952 0.592 19415 124 1 1 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.842 -1.095 19415 125 1 1 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.599 1.299 19415 126 1 1 . 1 1 100 100 VAL H H 100 8.934 8.934 8.822 0.112 19415 127 1 1 . 1 1 101 101 MET N N 101 116.964 116.964 123.654 -6.690 19415 128 1 1 . 1 1 101 101 MET HA H 101 4.676 4.676 4.766 -0.090 19415 129 1 1 . 1 1 101 101 MET C C 101 175.197 175.197 174.980 0.217 19415 130 1 1 . 1 1 101 101 MET CA C 101 52.397 52.397 54.853 -2.456 19415 131 1 1 . 1 1 101 101 MET CB C 101 34.490 34.490 32.965 1.526 19415 132 1 1 . 1 1 101 101 MET H H 101 8.299 8.299 8.772 -0.473 19415 133 1 1 . 1 1 102 102 ARG N N 102 122.278 122.278 124.835 -2.557 19415 134 1 1 . 1 1 102 102 ARG HA H 102 5.154 5.154 5.339 -0.185 19415 135 1 1 . 1 1 102 102 ARG C C 102 175.008 175.008 174.586 0.422 19415 136 1 1 . 1 1 102 102 ARG CA C 102 54.850 54.850 54.695 0.155 19415 137 1 1 . 1 1 102 102 ARG CB C 102 32.335 32.335 32.046 0.289 19415 138 1 1 . 1 1 102 102 ARG H H 102 8.112 8.112 8.272 -0.160 19415 139 1 1 . 1 1 103 103 ALA N N 103 123.373 123.373 127.634 -4.261 19415 140 1 1 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.600 -0.001 19415 141 1 1 . 1 1 103 103 ALA C C 103 176.137 176.137 178.765 -2.628 19415 142 1 1 . 1 1 103 103 ALA CA C 103 52.049 52.049 51.391 0.658 19415 143 1 1 . 1 1 103 103 ALA CB C 103 21.835 21.835 19.419 2.416 19415 144 1 1 . 1 1 103 103 ALA H H 103 8.129 8.129 8.406 -0.277 19415 145 1 1 . 1 1 104 104 GLN N N 104 120.352 120.352 119.639 0.713 19415 146 1 1 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.184 -0.382 19415 147 1 1 . 1 1 104 104 GLN C C 104 175.032 175.032 176.853 -1.821 19415 148 1 1 . 1 1 104 104 GLN CA C 104 56.385 56.385 58.364 -1.979 19415 149 1 1 . 1 1 104 104 GLN CB C 104 25.801 25.801 29.189 -3.389 19415 150 1 1 . 1 1 104 104 GLN H H 104 9.312 9.312 8.371 0.941 19415 151 1 1 . 1 1 105 105 GLY N N 105 105.580 105.580 104.619 0.961 19415 152 1 1 . 1 1 105 105 GLY C C 105 173.414 173.414 173.310 0.104 19415 153 1 1 . 1 1 105 105 GLY CA C 105 45.475 45.475 44.946 0.529 19415 154 1 1 . 1 1 105 105 GLY H H 105 8.493 8.493 8.493 0.000 19415 155 1 1 . 1 1 106 106 ASN N N 106 120.347 120.347 119.244 1.103 19415 156 1 1 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.929 -0.109 19415 157 1 1 . 1 1 106 106 ASN C C 106 174.060 174.060 173.069 0.991 19415 158 1 1 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.234 -0.457 19415 159 1 1 . 1 1 106 106 ASN CB C 106 41.604 41.604 41.357 0.247 19415 160 1 1 . 1 1 106 106 ASN H H 106 8.085 8.085 7.773 0.312 19415 161 1 1 . 1 1 107 107 VAL N N 107 118.992 118.992 118.059 0.933 19415 162 1 1 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.816 -0.042 19415 163 1 1 . 1 1 107 107 VAL C C 107 173.066 173.066 174.005 -0.939 19415 164 1 1 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.226 0.350 19415 165 1 1 . 1 1 107 107 VAL CB C 107 34.475 34.475 32.699 1.776 19415 166 1 1 . 1 1 107 107 VAL H H 107 8.207 8.207 8.319 -0.112 19415 167 1 1 . 1 1 108 108 TYR N N 108 121.397 121.397 122.540 -1.143 19415 168 1 1 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.751 1.179 19415 169 1 1 . 1 1 108 108 TYR C C 108 177.709 177.709 174.435 3.274 19415 170 1 1 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.393 -0.391 19415 171 1 1 . 1 1 108 108 TYR CB C 108 42.938 42.938 43.324 -0.386 19415 172 1 1 . 1 1 108 108 TYR H H 108 8.681 8.681 8.861 -0.180 19415 173 1 1 . 1 1 109 109 HIS N N 109 120.399 120.399 118.878 1.521 19415 174 1 1 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.623 0.134 19415 175 1 1 . 1 1 109 109 HIS C C 109 178.297 178.297 176.610 1.687 19415 176 1 1 . 1 1 109 109 HIS CA C 109 59.269 59.269 56.558 2.711 19415 177 1 1 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.504 -0.065 19415 178 1 1 . 1 1 109 109 HIS H H 109 8.681 8.681 8.679 0.002 19415 179 1 1 . 1 1 110 110 LEU N N 110 124.629 124.629 119.808 4.821 19415 180 1 1 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.142 -0.260 19415 181 1 1 . 1 1 110 110 LEU C C 110 180.956 180.956 178.083 2.873 19415 182 1 1 . 1 1 110 110 LEU CA C 110 60.072 60.072 58.069 2.003 19415 183 1 1 . 1 1 110 110 LEU CB C 110 40.482 40.482 41.560 -1.078 19415 184 1 1 . 1 1 110 110 LEU H H 110 8.924 8.924 8.737 0.187 19415 185 1 1 . 1 1 111 111 LYS N N 111 112.542 112.542 115.158 -2.616 19415 186 1 1 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.267 -0.271 19415 187 1 1 . 1 1 111 111 LYS C C 111 176.711 176.711 176.509 0.202 19415 188 1 1 . 1 1 111 111 LYS CA C 111 57.937 57.937 57.999 -0.062 19415 189 1 1 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.867 -0.158 19415 190 1 1 . 1 1 111 111 LYS H H 111 8.586 8.586 8.278 0.308 19415 191 1 1 . 1 1 112 112 CYS N N 112 117.897 117.897 117.443 0.454 19415 192 1 1 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.651 -0.259 19415 193 1 1 . 1 1 112 112 CYS C C 112 173.923 173.923 175.447 -1.524 19415 194 1 1 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.450 1.805 19415 195 1 1 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.594 4.840 19415 196 1 1 . 1 1 112 112 CYS H H 112 7.439 7.439 7.271 0.168 19415 197 1 1 . 1 1 113 113 PHE N N 113 126.150 126.150 125.320 0.830 19415 198 1 1 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.446 -0.365 19415 199 1 1 . 1 1 113 113 PHE C C 113 172.777 172.777 174.123 -1.346 19415 200 1 1 . 1 1 113 113 PHE CA C 113 57.131 57.131 55.822 1.309 19415 201 1 1 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.053 -0.244 19415 202 1 1 . 1 1 113 113 PHE H H 113 7.467 7.467 8.019 -0.552 19415 203 1 1 . 1 1 114 114 THR N N 114 112.302 112.302 113.933 -1.631 19415 204 1 1 . 1 1 114 114 THR HA H 114 4.577 4.577 5.081 -0.504 19415 205 1 1 . 1 1 114 114 THR C C 114 172.592 172.592 174.052 -1.460 19415 206 1 1 . 1 1 114 114 THR CA C 114 57.922 57.922 59.715 -1.793 19415 207 1 1 . 1 1 114 114 THR CB C 114 72.187 72.187 71.954 0.233 19415 208 1 1 . 1 1 114 114 THR H H 114 6.895 6.895 8.000 -1.105 19415 209 1 1 . 1 1 115 115 CYS N N 115 121.388 121.388 119.289 2.099 19415 210 1 1 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.677 -0.887 19415 211 1 1 . 1 1 115 115 CYS C C 115 177.309 177.309 176.455 0.854 19415 212 1 1 . 1 1 115 115 CYS CA C 115 59.284 59.284 57.368 1.915 19415 213 1 1 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.941 2.680 19415 214 1 1 . 1 1 115 115 CYS H H 115 7.981 7.981 8.432 -0.451 19415 215 1 1 . 1 1 116 116 SER N N 116 127.333 127.333 118.483 8.850 19415 216 1 1 . 1 1 116 116 SER HA H 116 4.066 4.066 4.617 -0.551 19415 217 1 1 . 1 1 116 116 SER C C 116 174.522 174.522 175.279 -0.757 19415 218 1 1 . 1 1 116 116 SER CA C 116 61.507 61.507 59.709 1.798 19415 219 1 1 . 1 1 116 116 SER CB C 116 63.619 63.619 62.508 1.111 19415 220 1 1 . 1 1 116 116 SER H H 116 9.064 9.064 8.740 0.324 19415 221 1 1 . 1 1 117 117 THR N N 117 121.020 121.020 114.890 6.130 19415 222 1 1 . 1 1 117 117 THR HA H 117 4.384 4.384 4.519 -0.135 19415 223 1 1 . 1 1 117 117 THR C C 117 174.713 174.713 175.455 -0.742 19415 224 1 1 . 1 1 117 117 THR CA C 117 65.378 65.378 64.083 1.295 19415 225 1 1 . 1 1 117 117 THR CB C 117 69.656 69.656 69.923 -0.267 19415 226 1 1 . 1 1 117 117 THR H H 117 8.939 8.939 8.385 0.554 19415 227 1 1 . 1 1 118 118 CYS N N 118 120.215 120.215 117.098 3.117 19415 228 1 1 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.933 -0.585 19415 229 1 1 . 1 1 118 118 CYS C C 118 176.041 176.041 174.139 1.902 19415 230 1 1 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.647 1.840 19415 231 1 1 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.265 0.559 19415 232 1 1 . 1 1 118 118 CYS H H 118 8.180 8.180 7.908 0.272 19415 233 1 1 . 1 1 119 119 ARG N N 119 114.664 114.664 119.291 -4.627 19415 234 1 1 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.103 0.008 19415 235 1 1 . 1 1 119 119 ARG C C 119 174.910 174.910 174.609 0.301 19415 236 1 1 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.495 1.078 19415 237 1 1 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.715 -1.357 19415 238 1 1 . 1 1 119 119 ARG H H 119 7.545 7.545 8.170 -0.625 19415 239 1 1 . 1 1 120 120 ASN N N 120 118.962 118.962 118.326 0.636 19415 240 1 1 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.680 0.072 19415 241 1 1 . 1 1 120 120 ASN C C 120 175.950 175.950 174.881 1.069 19415 242 1 1 . 1 1 120 120 ASN CA C 120 53.504 53.504 52.650 0.854 19415 243 1 1 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.999 -0.701 19415 244 1 1 . 1 1 120 120 ASN H H 120 8.232 8.232 8.098 0.134 19415 245 1 1 . 1 1 121 121 ARG N N 121 122.104 122.104 125.991 -3.887 19415 246 1 1 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.442 -0.457 19415 247 1 1 . 1 1 121 121 ARG C C 121 175.638 175.638 176.027 -0.389 19415 248 1 1 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.462 0.722 19415 249 1 1 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.545 0.022 19415 250 1 1 . 1 1 121 121 ARG H H 121 8.603 8.603 8.552 0.051 19415 251 1 1 . 1 1 122 122 LEU N N 122 127.225 127.225 128.578 -1.353 19415 252 1 1 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.305 0.224 19415 253 1 1 . 1 1 122 122 LEU C C 122 175.345 175.345 175.751 -0.406 19415 254 1 1 . 1 1 122 122 LEU CA C 122 53.827 53.827 54.835 -1.008 19415 255 1 1 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.074 -0.502 19415 256 1 1 . 1 1 122 122 LEU H H 122 8.094 8.094 8.367 -0.273 19415 257 1 1 . 1 1 123 123 VAL N N 123 121.030 121.030 118.498 2.532 19415 258 1 1 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.447 0.028 19415 259 1 1 . 1 1 123 123 VAL C C 123 173.190 173.190 173.670 -0.480 19415 260 1 1 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.001 1.030 19415 261 1 1 . 1 1 123 123 VAL CB C 123 31.454 31.454 33.847 -2.393 19415 262 1 1 . 1 1 123 123 VAL H H 123 8.416 8.416 7.910 0.506 19415 263 1 1 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.283 -0.643 19415 264 1 1 . 1 1 124 124 PRO C C 124 177.425 177.425 177.171 0.254 19415 265 1 1 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.732 0.300 19415 266 1 1 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.357 0.878 19415 267 1 1 . 1 1 125 125 GLY N N 125 113.120 113.120 113.131 -0.011 19415 268 1 1 . 1 1 125 125 GLY C C 125 174.384 174.384 173.612 0.772 19415 269 1 1 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.717 0.386 19415 270 1 1 . 1 1 125 125 GLY H H 125 8.574 8.574 8.504 0.070 19415 271 1 1 . 1 1 126 126 ASP N N 126 122.488 122.488 120.469 2.019 19415 272 1 1 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.943 -0.220 19415 273 1 1 . 1 1 126 126 ASP C C 126 176.558 176.558 174.393 2.165 19415 274 1 1 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.564 1.760 19415 275 1 1 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.842 -2.240 19415 276 1 1 . 1 1 126 126 ASP H H 126 8.476 8.476 8.179 0.297 19415 277 1 1 . 1 1 127 127 ARG N N 127 122.074 122.074 119.684 2.390 19415 278 1 1 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.167 -0.120 19415 279 1 1 . 1 1 127 127 ARG C C 127 175.671 175.671 175.529 0.142 19415 280 1 1 . 1 1 127 127 ARG CA C 127 55.559 55.559 55.992 -0.433 19415 281 1 1 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.275 -0.413 19415 282 1 1 . 1 1 127 127 ARG H H 127 8.697 8.697 8.429 0.268 19415 283 1 1 . 1 1 128 128 PHE N N 128 120.179 120.179 122.070 -1.891 19415 284 1 1 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.737 0.457 19415 285 1 1 . 1 1 128 128 PHE C C 128 171.304 171.304 172.633 -1.329 19415 286 1 1 . 1 1 128 128 PHE CA C 128 55.427 55.427 55.214 0.213 19415 287 1 1 . 1 1 128 128 PHE CB C 128 43.513 43.513 41.889 1.624 19415 288 1 1 . 1 1 128 128 PHE H H 128 8.869 8.869 8.799 0.070 19415 289 1 1 . 1 1 129 129 HIS N N 129 118.586 118.586 117.067 1.519 19415 290 1 1 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.544 0.137 19415 291 1 1 . 1 1 129 129 HIS C C 129 173.764 173.764 172.714 1.050 19415 292 1 1 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.605 0.205 19415 293 1 1 . 1 1 129 129 HIS CB C 129 34.983 34.983 34.193 0.790 19415 294 1 1 . 1 1 129 129 HIS H H 129 9.292 9.292 8.708 0.584 19415 295 1 1 . 1 1 130 130 TYR N N 130 125.995 125.995 127.079 -1.084 19415 296 1 1 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.489 0.230 19415 297 1 1 . 1 1 130 130 TYR C C 130 174.625 174.625 174.189 0.436 19415 298 1 1 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.594 -0.412 19415 299 1 1 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.268 1.011 19415 300 1 1 . 1 1 130 130 TYR H H 130 8.865 8.865 8.529 0.336 19415 301 1 1 . 1 1 131 131 ILE N N 131 126.610 126.610 126.612 -0.002 19415 302 1 1 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.322 0.001 19415 303 1 1 . 1 1 131 131 ILE C C 131 175.516 175.516 175.159 0.357 19415 304 1 1 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.405 -0.678 19415 305 1 1 . 1 1 131 131 ILE CB C 131 41.170 41.170 40.444 0.726 19415 306 1 1 . 1 1 131 131 ILE H H 131 8.889 8.889 8.190 0.699 19415 307 1 1 . 1 1 132 132 ASN N N 132 126.614 126.614 122.908 3.706 19415 308 1 1 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.367 -0.006 19415 309 1 1 . 1 1 132 132 ASN C C 132 175.421 175.421 175.280 0.141 19415 310 1 1 . 1 1 132 132 ASN CA C 132 53.933 53.933 54.237 -0.304 19415 311 1 1 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.544 -0.204 19415 312 1 1 . 1 1 132 132 ASN H H 132 9.375 9.375 9.216 0.159 19415 313 1 1 . 1 1 133 133 GLY N N 133 102.667 102.667 102.097 0.570 19415 314 1 1 . 1 1 133 133 GLY C C 133 173.969 173.969 173.364 0.605 19415 315 1 1 . 1 1 133 133 GLY CA C 133 45.395 45.395 44.843 0.552 19415 316 1 1 . 1 1 133 133 GLY H H 133 7.417 7.417 8.162 -0.745 19415 317 1 1 . 1 1 134 134 SER N N 134 117.123 117.123 114.343 2.780 19415 318 1 1 . 1 1 134 134 SER HA H 134 4.743 4.743 4.655 0.088 19415 319 1 1 . 1 1 134 134 SER C C 134 170.825 170.825 172.710 -1.885 19415 320 1 1 . 1 1 134 134 SER CA C 134 57.754 57.754 56.744 1.010 19415 321 1 1 . 1 1 134 134 SER CB C 134 66.060 66.060 66.376 -0.316 19415 322 1 1 . 1 1 134 134 SER H H 134 7.639 7.639 7.051 0.588 19415 323 1 1 . 1 1 135 135 LEU N N 135 122.242 122.242 121.913 0.329 19415 324 1 1 . 1 1 135 135 LEU HA H 135 5.214 5.214 5.052 0.162 19415 325 1 1 . 1 1 135 135 LEU C C 135 177.735 177.735 175.178 2.557 19415 326 1 1 . 1 1 135 135 LEU CA C 135 53.429 53.429 53.762 -0.333 19415 327 1 1 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.514 2.171 19415 328 1 1 . 1 1 135 135 LEU H H 135 8.236 8.236 8.213 0.023 19415 329 1 1 . 1 1 136 136 PHE N N 136 118.689 118.689 119.906 -1.217 19415 330 1 1 . 1 1 136 136 PHE HA H 136 5.990 5.990 4.990 1.000 19415 331 1 1 . 1 1 136 136 PHE C C 136 175.971 175.971 174.994 0.977 19415 332 1 1 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.466 0.438 19415 333 1 1 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.078 1.251 19415 334 1 1 . 1 1 136 136 PHE H H 136 9.221 9.221 8.922 0.299 19415 335 1 1 . 1 1 137 137 CYS N N 137 121.328 121.328 117.162 4.166 19415 336 1 1 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.059 -0.093 19415 337 1 1 . 1 1 137 137 CYS C C 137 175.030 175.030 175.063 -0.033 19415 338 1 1 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.288 1.265 19415 339 1 1 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.717 -1.492 19415 340 1 1 . 1 1 137 137 CYS H H 137 9.716 9.716 9.663 0.053 19415 341 1 1 . 1 1 138 138 GLU N N 138 118.055 118.055 121.180 -3.125 19415 342 1 1 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.120 0.023 19415 343 1 1 . 1 1 138 138 GLU C C 138 178.535 178.535 177.709 0.826 19415 344 1 1 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.263 0.306 19415 345 1 1 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.814 0.082 19415 346 1 1 . 1 1 138 138 GLU H H 138 8.476 8.476 8.903 -0.427 19415 347 1 1 . 1 1 139 139 HIS N N 139 117.190 117.190 118.806 -1.616 19415 348 1 1 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.442 -0.012 19415 349 1 1 . 1 1 139 139 HIS C C 139 175.584 175.584 176.533 -0.949 19415 350 1 1 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.759 -0.629 19415 351 1 1 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.114 -1.168 19415 352 1 1 . 1 1 139 139 HIS H H 139 8.365 8.365 7.903 0.462 19415 353 1 1 . 1 1 140 140 ASP N N 140 118.373 118.373 118.289 0.084 19415 354 1 1 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.493 0.463 19415 355 1 1 . 1 1 140 140 ASP C C 140 174.258 174.258 176.319 -2.061 19415 356 1 1 . 1 1 140 140 ASP CA C 140 54.319 54.319 54.629 -0.310 19415 357 1 1 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.347 0.970 19415 358 1 1 . 1 1 140 140 ASP H H 140 8.082 8.082 7.759 0.323 19415 359 1 1 . 1 1 141 141 ARG N N 141 121.880 121.880 119.665 2.215 19415 360 1 1 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.923 -0.307 19415 361 1 1 . 1 1 141 141 ARG C C 141 173.939 173.939 173.166 0.773 19415 362 1 1 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.508 -0.786 19415 363 1 1 . 1 1 141 141 ARG CB C 141 29.423 29.423 29.184 0.239 19415 364 1 1 . 1 1 141 141 ARG H H 141 7.120 7.120 7.838 -0.718 19415 365 1 1 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.182 0.068 19415 366 1 1 . 1 1 142 142 PRO C C 142 176.688 176.688 176.389 0.299 19415 367 1 1 . 1 1 142 142 PRO CA C 142 62.699 62.699 63.310 -0.611 19415 368 1 1 . 1 1 142 142 PRO CB C 142 31.249 31.249 30.975 0.274 19415 369 1 1 . 1 1 143 143 THR N N 143 115.472 115.472 118.058 -2.586 19415 370 1 1 . 1 1 143 143 THR HA H 143 3.924 3.924 4.097 -0.173 19415 371 1 1 . 1 1 143 143 THR C C 143 174.890 174.890 176.359 -1.469 19415 372 1 1 . 1 1 143 143 THR CA C 143 63.099 63.099 63.149 -0.050 19415 373 1 1 . 1 1 143 143 THR CB C 143 69.197 69.197 68.616 0.581 19415 374 1 1 . 1 1 143 143 THR H H 143 8.015 8.015 8.087 -0.072 19415 375 1 1 . 1 1 144 144 ALA N N 144 124.502 124.502 125.496 -0.994 19415 376 1 1 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.224 -0.024 19415 377 1 1 . 1 1 144 144 ALA C C 144 177.656 177.656 177.440 0.216 19415 378 1 1 . 1 1 144 144 ALA CA C 144 52.807 52.807 53.878 -1.071 19415 379 1 1 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.621 0.384 19415 380 1 1 . 1 1 144 144 ALA H H 144 8.130 8.130 8.056 0.074 19415 381 1 1 . 1 1 145 145 LEU N N 145 119.506 119.506 118.811 0.695 19415 382 1 1 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.522 -0.246 19415 383 1 1 . 1 1 145 145 LEU C C 145 177.574 177.574 174.997 2.577 19415 384 1 1 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.026 1.040 19415 385 1 1 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.793 -0.562 19415 386 1 1 . 1 1 145 145 LEU H H 145 7.897 7.897 7.356 0.541 19415 387 1 1 . 1 1 146 146 ILE N N 146 120.683 120.683 121.468 -0.785 19415 388 1 1 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.362 -0.307 19415 389 1 1 . 1 1 146 146 ILE C C 146 176.259 176.259 174.088 2.171 19415 390 1 1 . 1 1 146 146 ILE CA C 146 61.486 61.486 60.031 1.455 19415 391 1 1 . 1 1 146 146 ILE CB C 146 38.629 38.629 40.121 -1.492 19415 392 1 1 . 1 1 146 146 ILE H H 146 7.842 7.842 7.855 -0.013 19415 393 1 1 . 1 1 405 405 ALA N N 405 133.214 133.214 128.144 5.070 19415 394 1 1 . 1 1 405 405 ALA HA H 405 4.471 4.471 3.297 1.174 19415 395 1 1 . 1 1 405 405 ALA CA C 405 50.818 50.818 50.716 0.102 19415 396 1 1 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.376 -1.329 19415 397 1 1 . 1 1 405 405 ALA H H 405 9.651 9.651 8.386 1.265 19415 398 1 1 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.410 0.177 19415 399 1 1 . 1 1 406 406 PRO C C 406 174.175 174.175 175.686 -1.511 19415 400 1 1 . 1 1 406 406 PRO CA C 406 61.942 61.942 62.704 -0.762 19415 401 1 1 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.385 0.604 19415 402 1 1 . 1 1 407 407 PHE N N 407 113.077 113.077 117.163 -4.086 19415 403 1 1 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.740 -0.236 19415 404 1 1 . 1 1 407 407 PHE C C 407 174.954 174.954 174.433 0.521 19415 405 1 1 . 1 1 407 407 PHE CA C 407 57.263 57.263 55.337 1.927 19415 406 1 1 . 1 1 407 407 PHE CB C 407 38.318 38.318 40.050 -1.732 19415 407 1 1 . 1 1 407 407 PHE H H 407 7.899 7.899 8.407 -0.508 19415 408 1 1 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.692 0.061 19415 409 1 1 . 1 1 408 408 PRO C C 408 175.865 175.865 175.462 0.403 19415 410 1 1 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.034 0.892 19415 411 1 1 . 1 1 408 408 PRO CB C 408 33.457 33.457 32.036 1.421 19415 412 1 1 . 1 1 409 409 GLU N N 409 119.349 119.349 123.614 -4.265 19415 413 1 1 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.612 0.111 19415 414 1 1 . 1 1 409 409 GLU C C 409 174.291 174.291 175.441 -1.150 19415 415 1 1 . 1 1 409 409 GLU CA C 409 54.180 54.180 53.980 0.200 19415 416 1 1 . 1 1 409 409 GLU CB C 409 34.429 34.429 33.355 1.074 19415 417 1 1 . 1 1 409 409 GLU H H 409 8.813 8.813 8.887 -0.074 19415 418 1 1 . 1 1 410 410 ALA N N 410 124.017 124.017 122.656 1.361 19415 419 1 1 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.388 -0.057 19415 420 1 1 . 1 1 410 410 ALA C C 410 178.181 178.181 176.935 1.246 19415 421 1 1 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.989 -0.748 19415 422 1 1 . 1 1 410 410 ALA CB C 410 19.102 19.102 18.929 0.173 19415 423 1 1 . 1 1 410 410 ALA H H 410 8.562 8.562 8.677 -0.115 19415 424 1 1 . 1 1 411 411 ALA N N 411 124.837 124.837 128.144 -3.307 19415 425 1 1 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.368 -0.439 19415 426 1 1 . 1 1 411 411 ALA C C 411 178.042 178.042 176.601 1.441 19415 427 1 1 . 1 1 411 411 ALA CA C 411 54.247 54.247 52.728 1.519 19415 428 1 1 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.439 -0.709 19415 429 1 1 . 1 1 411 411 ALA H H 411 8.475 8.475 8.777 -0.302 19415 430 1 1 . 1 1 412 412 LEU N N 412 119.893 119.893 120.612 -0.719 19415 431 1 1 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.795 -0.087 19415 432 1 1 . 1 1 412 412 LEU C C 412 174.281 174.281 174.342 -0.061 19415 433 1 1 . 1 1 412 412 LEU CA C 412 52.130 52.130 51.654 0.476 19415 434 1 1 . 1 1 412 412 LEU CB C 412 42.645 42.645 44.257 -1.612 19415 435 1 1 . 1 1 412 412 LEU H H 412 8.075 8.075 7.891 0.184 19415 436 1 1 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.811 -0.358 19415 437 1 1 . 1 1 413 413 PRO C C 413 177.094 177.094 176.064 1.030 19415 438 1 1 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.028 0.973 19415 439 1 1 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.294 -0.115 19415 440 1 1 . 1 1 414 414 THR N N 414 114.256 114.256 116.577 -2.321 19415 441 1 1 . 1 1 414 414 THR HA H 414 4.294 4.294 4.398 -0.104 19415 442 1 1 . 1 1 414 414 THR C C 414 174.480 174.480 174.522 -0.042 19415 443 1 1 . 1 1 414 414 THR CA C 414 61.757 61.757 61.470 0.287 19415 444 1 1 . 1 1 414 414 THR CB C 414 69.712 69.712 69.643 0.069 19415 445 1 1 . 1 1 414 414 THR H H 414 8.177 8.177 8.083 0.094 19415 446 1 1 . 1 1 415 415 SER N N 415 117.918 117.918 118.404 -0.486 19415 447 1 1 . 1 1 415 415 SER HA H 415 4.424 4.424 4.455 -0.031 19415 448 1 1 . 1 1 415 415 SER C C 415 173.689 173.689 173.412 0.277 19415 449 1 1 . 1 1 415 415 SER CA C 415 58.072 58.072 59.147 -1.075 19415 450 1 1 . 1 1 415 415 SER CB C 415 63.852 63.852 63.983 -0.131 19415 451 1 1 . 1 1 415 415 SER H H 415 8.193 8.193 8.503 -0.310 19415 452 1 1 . 1 1 416 416 HIS N N 416 121.537 121.537 124.092 -2.555 19415 453 1 1 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.632 0.310 19415 454 1 1 . 1 1 416 416 HIS C C 416 172.547 172.547 173.483 -0.936 19415 455 1 1 . 1 1 416 416 HIS CA C 416 53.702 53.702 53.199 0.503 19415 456 1 1 . 1 1 416 416 HIS CB C 416 29.462 29.462 31.022 -1.560 19415 457 1 1 . 1 1 416 416 HIS H H 416 8.373 8.373 8.376 -0.003 19415 458 1 1 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.573 -0.152 19415 459 1 1 . 1 1 417 417 PRO C C 417 176.060 176.060 176.905 -0.845 19415 460 1 1 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.809 0.639 19415 461 1 1 . 1 1 417 417 PRO CB C 417 32.159 32.159 31.929 0.230 19415 462 1 1 . 1 1 902 902 GLY N N 902 108.524 108.524 111.089 -2.565 19415 463 1 1 . 1 1 902 902 GLY CA C 902 45.359 45.359 45.317 0.042 19415 464 1 1 . 1 1 902 902 GLY H H 902 8.196 8.196 7.825 0.371 19415 465 1 1 . 1 1 903 903 SER N N 903 115.821 115.821 119.567 -3.746 19415 466 1 1 . 1 1 903 903 SER HA H 903 4.403 4.403 4.483 -0.080 19415 467 1 1 . 1 1 903 903 SER CA C 903 58.602 58.602 58.705 -0.103 19415 468 1 1 . 1 1 903 903 SER CB C 903 63.762 63.762 63.747 0.015 19415 469 1 1 . 1 1 903 903 SER H H 903 8.354 8.354 8.443 -0.089 19415 470 1 1 . 1 1 904 904 GLY N N 904 110.847 110.847 110.509 0.338 19415 471 1 1 . 1 1 904 904 GLY C C 904 174.889 174.889 174.077 0.812 19415 472 1 1 . 1 1 904 904 GLY CA C 904 45.594 45.594 44.596 0.999 19415 473 1 1 . 1 1 904 904 GLY H H 904 8.558 8.558 8.539 0.019 19415 474 1 1 . 1 1 905 905 GLY N N 905 108.922 108.922 110.252 -1.330 19415 475 1 1 . 1 1 905 905 GLY C C 905 174.452 174.452 174.363 0.089 19415 476 1 1 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.556 0.993 19415 477 1 1 . 1 1 905 905 GLY H H 905 8.307 8.307 7.702 0.605 19415 478 1 1 . 1 1 906 906 SER N N 906 115.224 115.224 118.175 -2.951 19415 479 1 1 . 1 1 906 906 SER HA H 906 4.552 4.552 4.401 0.151 19415 480 1 1 . 1 1 906 906 SER C C 906 175.108 175.108 175.493 -0.385 19415 481 1 1 . 1 1 906 906 SER CA C 906 58.647 58.647 58.518 0.129 19415 482 1 1 . 1 1 906 906 SER CB C 906 64.091 64.091 63.694 0.397 19415 483 1 1 . 1 1 906 906 SER H H 906 8.362 8.362 8.096 0.266 19415 484 1 1 . 1 1 907 907 GLY N N 907 110.875 110.875 112.524 -1.649 19415 485 1 1 . 1 1 907 907 GLY C C 907 173.335 173.335 173.562 -0.227 19415 486 1 1 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.485 0.525 19415 487 1 1 . 1 1 907 907 GLY H H 907 8.437 8.437 8.733 -0.296 19415 488 1 2 . 1 1 78 78 ILE N N 78 124.415 124.415 124.277 0.138 19415 489 1 2 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.241 -0.199 19415 490 1 2 . 1 1 78 78 ILE C C 78 175.260 175.260 175.504 -0.244 19415 491 1 2 . 1 1 78 78 ILE CA C 78 60.727 60.727 62.234 -1.507 19415 492 1 2 . 1 1 78 78 ILE CB C 78 38.922 38.922 36.756 2.166 19415 493 1 2 . 1 1 78 78 ILE H H 78 8.025 8.025 8.134 -0.109 19415 494 1 2 . 1 1 79 79 ARG N N 79 125.999 125.999 123.327 2.672 19415 495 1 2 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.508 -0.293 19415 496 1 2 . 1 1 79 79 ARG C C 79 175.494 175.494 175.049 0.445 19415 497 1 2 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.683 0.173 19415 498 1 2 . 1 1 79 79 ARG CB C 79 30.774 30.774 30.535 0.239 19415 499 1 2 . 1 1 79 79 ARG H H 79 8.249 8.249 7.951 0.298 19415 500 1 2 . 1 1 80 80 LEU N N 80 124.427 124.427 116.064 8.363 19415 501 1 2 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.775 -0.483 19415 502 1 2 . 1 1 80 80 LEU C C 80 176.785 176.785 175.641 1.144 19415 503 1 2 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.419 1.401 19415 504 1 2 . 1 1 80 80 LEU CB C 80 42.520 42.520 44.059 -1.539 19415 505 1 2 . 1 1 80 80 LEU H H 80 8.190 8.190 7.342 0.848 19415 506 1 2 . 1 1 81 81 PHE N N 81 120.462 120.462 119.044 1.418 19415 507 1 2 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.614 0.010 19415 508 1 2 . 1 1 81 81 PHE C C 81 176.212 176.212 175.923 0.289 19415 509 1 2 . 1 1 81 81 PHE CA C 81 57.570 57.570 59.577 -2.007 19415 510 1 2 . 1 1 81 81 PHE CB C 81 39.802 39.802 39.664 0.138 19415 511 1 2 . 1 1 81 81 PHE H H 81 8.244 8.244 8.756 -0.512 19415 512 1 2 . 1 1 82 82 GLY N N 82 110.003 110.003 105.324 4.679 19415 513 1 2 . 1 1 82 82 GLY C C 82 173.730 173.730 172.468 1.262 19415 514 1 2 . 1 1 82 82 GLY CA C 82 45.415 45.415 45.083 0.332 19415 515 1 2 . 1 1 82 82 GLY H H 82 8.351 8.351 7.897 0.454 19415 516 1 2 . 1 1 83 83 ASN N N 83 118.840 118.840 115.865 2.975 19415 517 1 2 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.917 -0.123 19415 518 1 2 . 1 1 83 83 ASN C C 83 175.312 175.312 175.974 -0.662 19415 519 1 2 . 1 1 83 83 ASN CA C 83 52.996 52.996 52.839 0.157 19415 520 1 2 . 1 1 83 83 ASN CB C 83 39.137 39.137 39.732 -0.595 19415 521 1 2 . 1 1 83 83 ASN H H 83 8.325 8.325 7.905 0.420 19415 522 1 2 . 1 1 84 84 SER N N 84 116.555 116.555 116.677 -0.122 19415 523 1 2 . 1 1 84 84 SER CA C 84 58.823 58.823 59.735 -0.912 19415 524 1 2 . 1 1 84 84 SER CB C 84 63.887 63.887 63.551 0.336 19415 525 1 2 . 1 1 84 84 SER H H 84 8.463 8.463 8.519 -0.056 19415 526 1 2 . 1 1 85 85 GLY N N 85 109.826 109.826 108.848 0.978 19415 527 1 2 . 1 1 85 85 GLY C C 85 172.709 172.709 172.043 0.666 19415 528 1 2 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.052 0.101 19415 529 1 2 . 1 1 85 85 GLY H H 85 8.341 8.341 7.765 0.576 19415 530 1 2 . 1 1 86 86 ALA N N 86 122.100 122.100 124.065 -1.965 19415 531 1 2 . 1 1 86 86 ALA HA H 86 4.447 4.447 5.352 -0.905 19415 532 1 2 . 1 1 86 86 ALA C C 86 175.383 175.383 176.542 -1.159 19415 533 1 2 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.195 0.328 19415 534 1 2 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.615 -0.903 19415 535 1 2 . 1 1 86 86 ALA H H 86 7.703 7.703 8.456 -0.753 19415 536 1 2 . 1 1 87 87 CYS N N 87 121.922 121.922 122.270 -0.348 19415 537 1 2 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.835 -0.638 19415 538 1 2 . 1 1 87 87 CYS C C 87 178.454 178.454 177.080 1.374 19415 539 1 2 . 1 1 87 87 CYS CA C 87 58.515 58.515 58.261 0.254 19415 540 1 2 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.461 3.139 19415 541 1 2 . 1 1 87 87 CYS H H 87 7.968 7.968 8.832 -0.864 19415 542 1 2 . 1 1 88 88 SER N N 88 126.804 126.804 122.678 4.126 19415 543 1 2 . 1 1 88 88 SER HA H 88 4.174 4.174 4.758 -0.584 19415 544 1 2 . 1 1 88 88 SER C C 88 173.647 173.647 176.577 -2.930 19415 545 1 2 . 1 1 88 88 SER CA C 88 62.158 62.158 61.283 0.875 19415 546 1 2 . 1 1 88 88 SER CB C 88 63.401 63.401 63.147 0.254 19415 547 1 2 . 1 1 88 88 SER H H 88 9.202 9.202 8.536 0.666 19415 548 1 2 . 1 1 89 89 ALA N N 89 123.763 123.763 124.076 -0.313 19415 549 1 2 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.481 0.355 19415 550 1 2 . 1 1 89 89 ALA C C 89 178.007 178.007 178.685 -0.678 19415 551 1 2 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.986 -0.053 19415 552 1 2 . 1 1 89 89 ALA CB C 89 21.245 21.245 18.916 2.329 19415 553 1 2 . 1 1 89 89 ALA H H 89 8.964 8.964 8.055 0.909 19415 554 1 2 . 1 1 90 90 CYS N N 90 115.099 115.099 117.182 -2.083 19415 555 1 2 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.421 0.611 19415 556 1 2 . 1 1 90 90 CYS C C 90 177.164 177.164 176.048 1.116 19415 557 1 2 . 1 1 90 90 CYS CA C 90 58.754 58.754 60.825 -2.071 19415 558 1 2 . 1 1 90 90 CYS CB C 90 31.688 31.688 27.990 3.698 19415 559 1 2 . 1 1 90 90 CYS H H 90 8.078 8.078 8.154 -0.076 19415 560 1 2 . 1 1 91 91 GLY N N 91 112.869 112.869 105.374 7.495 19415 561 1 2 . 1 1 91 91 GLY C C 91 173.725 173.725 174.033 -0.308 19415 562 1 2 . 1 1 91 91 GLY CA C 91 46.303 46.303 44.916 1.387 19415 563 1 2 . 1 1 91 91 GLY H H 91 7.996 7.996 8.258 -0.262 19415 564 1 2 . 1 1 92 92 GLN N N 92 119.848 119.848 120.314 -0.466 19415 565 1 2 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.529 0.046 19415 566 1 2 . 1 1 92 92 GLN C C 92 176.015 176.015 175.986 0.029 19415 567 1 2 . 1 1 92 92 GLN CA C 92 54.954 54.954 55.469 -0.515 19415 568 1 2 . 1 1 92 92 GLN CB C 92 30.026 30.026 29.716 0.310 19415 569 1 2 . 1 1 92 92 GLN H H 92 8.341 8.341 8.112 0.229 19415 570 1 2 . 1 1 93 93 SER N N 93 116.734 116.734 113.902 2.832 19415 571 1 2 . 1 1 93 93 SER C C 93 173.776 173.776 174.925 -1.149 19415 572 1 2 . 1 1 93 93 SER CA C 93 59.491 59.491 58.346 1.145 19415 573 1 2 . 1 1 93 93 SER CB C 93 63.707 63.707 64.149 -0.442 19415 574 1 2 . 1 1 93 93 SER H H 93 8.656 8.656 8.480 0.176 19415 575 1 2 . 1 1 94 94 ILE N N 94 126.045 126.045 122.094 3.951 19415 576 1 2 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.761 -0.419 19415 577 1 2 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.740 -0.215 19415 578 1 2 . 1 1 94 94 ILE CB C 94 39.907 39.907 39.487 0.420 19415 579 1 2 . 1 1 94 94 ILE H H 94 8.281 8.281 8.081 0.200 19415 580 1 2 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.753 -0.280 19415 581 1 2 . 1 1 95 95 PRO C C 95 176.605 176.605 176.902 -0.297 19415 582 1 2 . 1 1 95 95 PRO CA C 95 62.852 62.852 61.689 1.163 19415 583 1 2 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.869 -0.078 19415 584 1 2 . 1 1 96 96 ALA N N 96 122.591 122.591 123.690 -1.099 19415 585 1 2 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.255 -0.255 19415 586 1 2 . 1 1 96 96 ALA C C 96 177.763 177.763 178.337 -0.574 19415 587 1 2 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.881 0.724 19415 588 1 2 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.928 0.178 19415 589 1 2 . 1 1 96 96 ALA H H 96 8.400 8.400 8.290 0.110 19415 590 1 2 . 1 1 97 97 SER N N 97 107.288 107.288 112.858 -5.570 19415 591 1 2 . 1 1 97 97 SER HA H 97 4.270 4.270 4.441 -0.171 19415 592 1 2 . 1 1 97 97 SER C C 97 174.625 174.625 173.970 0.655 19415 593 1 2 . 1 1 97 97 SER CA C 97 58.532 58.532 59.063 -0.531 19415 594 1 2 . 1 1 97 97 SER CB C 97 63.538 63.538 63.730 -0.192 19415 595 1 2 . 1 1 97 97 SER H H 97 7.796 7.796 8.060 -0.264 19415 596 1 2 . 1 1 98 98 GLU N N 98 124.231 124.231 122.011 2.220 19415 597 1 2 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.418 -0.161 19415 598 1 2 . 1 1 98 98 GLU C C 98 175.476 175.476 175.236 0.240 19415 599 1 2 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.529 0.992 19415 600 1 2 . 1 1 98 98 GLU CB C 98 31.081 31.081 30.217 0.864 19415 601 1 2 . 1 1 98 98 GLU H H 98 7.649 7.649 7.981 -0.332 19415 602 1 2 . 1 1 99 99 LEU N N 99 122.696 122.696 126.525 -3.829 19415 603 1 2 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.340 0.165 19415 604 1 2 . 1 1 99 99 LEU C C 99 176.253 176.253 176.505 -0.252 19415 605 1 2 . 1 1 99 99 LEU CA C 99 54.635 54.635 55.413 -0.778 19415 606 1 2 . 1 1 99 99 LEU CB C 99 42.967 42.967 41.981 0.986 19415 607 1 2 . 1 1 99 99 LEU H H 99 8.250 8.250 8.608 -0.358 19415 608 1 2 . 1 1 100 100 VAL N N 100 112.933 112.933 115.789 -2.856 19415 609 1 2 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.548 0.355 19415 610 1 2 . 1 1 100 100 VAL C C 100 175.544 175.544 173.967 1.577 19415 611 1 2 . 1 1 100 100 VAL CA C 100 58.747 58.747 58.601 0.146 19415 612 1 2 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.685 1.212 19415 613 1 2 . 1 1 100 100 VAL H H 100 8.934 8.934 9.049 -0.115 19415 614 1 2 . 1 1 101 101 MET N N 101 116.964 116.964 121.512 -4.548 19415 615 1 2 . 1 1 101 101 MET HA H 101 4.676 4.676 4.654 0.022 19415 616 1 2 . 1 1 101 101 MET C C 101 175.197 175.197 174.584 0.613 19415 617 1 2 . 1 1 101 101 MET CA C 101 52.397 52.397 53.920 -1.524 19415 618 1 2 . 1 1 101 101 MET CB C 101 34.490 34.490 33.836 0.654 19415 619 1 2 . 1 1 101 101 MET H H 101 8.299 8.299 7.971 0.328 19415 620 1 2 . 1 1 102 102 ARG N N 102 122.278 122.278 123.461 -1.183 19415 621 1 2 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.570 0.584 19415 622 1 2 . 1 1 102 102 ARG C C 102 175.008 175.008 174.792 0.216 19415 623 1 2 . 1 1 102 102 ARG CA C 102 54.850 54.850 54.598 0.252 19415 624 1 2 . 1 1 102 102 ARG CB C 102 32.335 32.335 31.627 0.708 19415 625 1 2 . 1 1 102 102 ARG H H 102 8.112 8.112 8.499 -0.387 19415 626 1 2 . 1 1 103 103 ALA N N 103 123.373 123.373 126.515 -3.142 19415 627 1 2 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.773 -0.174 19415 628 1 2 . 1 1 103 103 ALA C C 103 176.137 176.137 175.744 0.393 19415 629 1 2 . 1 1 103 103 ALA CA C 103 52.049 52.049 50.626 1.423 19415 630 1 2 . 1 1 103 103 ALA CB C 103 21.835 21.835 20.669 1.166 19415 631 1 2 . 1 1 103 103 ALA H H 103 8.129 8.129 8.529 -0.400 19415 632 1 2 . 1 1 104 104 GLN N N 104 120.352 120.352 119.102 1.250 19415 633 1 2 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.442 -0.640 19415 634 1 2 . 1 1 104 104 GLN C C 104 175.032 175.032 175.968 -0.936 19415 635 1 2 . 1 1 104 104 GLN CA C 104 56.385 56.385 55.772 0.613 19415 636 1 2 . 1 1 104 104 GLN CB C 104 25.801 25.801 27.251 -1.450 19415 637 1 2 . 1 1 104 104 GLN H H 104 9.312 9.312 8.586 0.726 19415 638 1 2 . 1 1 105 105 GLY N N 105 105.580 105.580 112.704 -7.124 19415 639 1 2 . 1 1 105 105 GLY C C 105 173.414 173.414 173.686 -0.272 19415 640 1 2 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.104 0.371 19415 641 1 2 . 1 1 105 105 GLY H H 105 8.493 8.493 8.387 0.106 19415 642 1 2 . 1 1 106 106 ASN N N 106 120.347 120.347 118.808 1.539 19415 643 1 2 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.892 -0.072 19415 644 1 2 . 1 1 106 106 ASN C C 106 174.060 174.060 172.589 1.471 19415 645 1 2 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.475 -0.698 19415 646 1 2 . 1 1 106 106 ASN CB C 106 41.604 41.604 41.143 0.461 19415 647 1 2 . 1 1 106 106 ASN H H 106 8.085 8.085 7.854 0.231 19415 648 1 2 . 1 1 107 107 VAL N N 107 118.992 118.992 119.004 -0.012 19415 649 1 2 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.162 0.612 19415 650 1 2 . 1 1 107 107 VAL C C 107 173.066 173.066 173.084 -0.018 19415 651 1 2 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.282 0.294 19415 652 1 2 . 1 1 107 107 VAL CB C 107 34.475 34.475 33.747 0.728 19415 653 1 2 . 1 1 107 107 VAL H H 107 8.207 8.207 8.198 0.009 19415 654 1 2 . 1 1 108 108 TYR N N 108 121.397 121.397 123.201 -1.804 19415 655 1 2 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.960 0.970 19415 656 1 2 . 1 1 108 108 TYR C C 108 177.709 177.709 175.923 1.786 19415 657 1 2 . 1 1 108 108 TYR CA C 108 56.002 56.002 55.474 0.528 19415 658 1 2 . 1 1 108 108 TYR CB C 108 42.938 42.938 40.923 2.015 19415 659 1 2 . 1 1 108 108 TYR H H 108 8.681 8.681 8.705 -0.024 19415 660 1 2 . 1 1 109 109 HIS N N 109 120.399 120.399 117.751 2.648 19415 661 1 2 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.763 -0.005 19415 662 1 2 . 1 1 109 109 HIS C C 109 178.297 178.297 175.796 2.501 19415 663 1 2 . 1 1 109 109 HIS CA C 109 59.269 59.269 55.491 3.778 19415 664 1 2 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.451 -0.012 19415 665 1 2 . 1 1 109 109 HIS H H 109 8.681 8.681 8.713 -0.032 19415 666 1 2 . 1 1 110 110 LEU N N 110 124.629 124.629 120.001 4.628 19415 667 1 2 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.408 -0.526 19415 668 1 2 . 1 1 110 110 LEU C C 110 180.956 180.956 177.848 3.108 19415 669 1 2 . 1 1 110 110 LEU CA C 110 60.072 60.072 56.902 3.170 19415 670 1 2 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.444 -1.962 19415 671 1 2 . 1 1 110 110 LEU H H 110 8.924 8.924 8.854 0.070 19415 672 1 2 . 1 1 111 111 LYS N N 111 112.542 112.542 118.577 -6.035 19415 673 1 2 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.169 -0.173 19415 674 1 2 . 1 1 111 111 LYS C C 111 176.711 176.711 177.044 -0.333 19415 675 1 2 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.539 -0.602 19415 676 1 2 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.504 0.205 19415 677 1 2 . 1 1 111 111 LYS H H 111 8.586 8.586 8.412 0.174 19415 678 1 2 . 1 1 112 112 CYS N N 112 117.897 117.897 115.552 2.345 19415 679 1 2 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.561 -0.169 19415 680 1 2 . 1 1 112 112 CYS C C 112 173.923 173.923 175.902 -1.979 19415 681 1 2 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.492 1.763 19415 682 1 2 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.278 5.156 19415 683 1 2 . 1 1 112 112 CYS H H 112 7.439 7.439 8.252 -0.813 19415 684 1 2 . 1 1 113 113 PHE N N 113 126.150 126.150 125.116 1.034 19415 685 1 2 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.302 -0.221 19415 686 1 2 . 1 1 113 113 PHE C C 113 172.777 172.777 174.291 -1.514 19415 687 1 2 . 1 1 113 113 PHE CA C 113 57.131 57.131 56.766 0.365 19415 688 1 2 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.093 -0.284 19415 689 1 2 . 1 1 113 113 PHE H H 113 7.467 7.467 8.111 -0.644 19415 690 1 2 . 1 1 114 114 THR N N 114 112.302 112.302 114.772 -2.470 19415 691 1 2 . 1 1 114 114 THR HA H 114 4.577 4.577 4.762 -0.185 19415 692 1 2 . 1 1 114 114 THR C C 114 172.592 172.592 173.012 -0.420 19415 693 1 2 . 1 1 114 114 THR CA C 114 57.922 57.922 59.560 -1.638 19415 694 1 2 . 1 1 114 114 THR CB C 114 72.187 72.187 71.749 0.438 19415 695 1 2 . 1 1 114 114 THR H H 114 6.895 6.895 7.769 -0.874 19415 696 1 2 . 1 1 115 115 CYS N N 115 121.388 121.388 120.744 0.644 19415 697 1 2 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.327 -0.537 19415 698 1 2 . 1 1 115 115 CYS C C 115 177.309 177.309 176.250 1.059 19415 699 1 2 . 1 1 115 115 CYS CA C 115 59.284 59.284 59.605 -0.320 19415 700 1 2 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.980 2.641 19415 701 1 2 . 1 1 115 115 CYS H H 115 7.981 7.981 8.592 -0.611 19415 702 1 2 . 1 1 116 116 SER N N 116 127.333 127.333 122.871 4.462 19415 703 1 2 . 1 1 116 116 SER HA H 116 4.066 4.066 4.582 -0.516 19415 704 1 2 . 1 1 116 116 SER C C 116 174.522 174.522 174.956 -0.434 19415 705 1 2 . 1 1 116 116 SER CA C 116 61.507 61.507 60.806 0.701 19415 706 1 2 . 1 1 116 116 SER CB C 116 63.619 63.619 63.339 0.280 19415 707 1 2 . 1 1 116 116 SER H H 116 9.064 9.064 8.966 0.098 19415 708 1 2 . 1 1 117 117 THR N N 117 121.020 121.020 116.538 4.482 19415 709 1 2 . 1 1 117 117 THR HA H 117 4.384 4.384 4.502 -0.118 19415 710 1 2 . 1 1 117 117 THR C C 117 174.713 174.713 175.282 -0.569 19415 711 1 2 . 1 1 117 117 THR CA C 117 65.378 65.378 64.551 0.827 19415 712 1 2 . 1 1 117 117 THR CB C 117 69.656 69.656 70.082 -0.426 19415 713 1 2 . 1 1 117 117 THR H H 117 8.939 8.939 8.168 0.771 19415 714 1 2 . 1 1 118 118 CYS N N 118 120.215 120.215 117.464 2.751 19415 715 1 2 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.986 -0.638 19415 716 1 2 . 1 1 118 118 CYS C C 118 176.041 176.041 173.620 2.421 19415 717 1 2 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.371 2.116 19415 718 1 2 . 1 1 118 118 CYS CB C 118 29.824 29.824 28.735 1.089 19415 719 1 2 . 1 1 118 118 CYS H H 118 8.180 8.180 7.919 0.261 19415 720 1 2 . 1 1 119 119 ARG N N 119 114.664 114.664 117.529 -2.865 19415 721 1 2 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.086 0.025 19415 722 1 2 . 1 1 119 119 ARG C C 119 174.910 174.910 174.832 0.078 19415 723 1 2 . 1 1 119 119 ARG CA C 119 57.573 57.573 57.105 0.468 19415 724 1 2 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.380 -1.022 19415 725 1 2 . 1 1 119 119 ARG H H 119 7.545 7.545 8.045 -0.500 19415 726 1 2 . 1 1 120 120 ASN N N 120 118.962 118.962 117.847 1.115 19415 727 1 2 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.503 0.249 19415 728 1 2 . 1 1 120 120 ASN C C 120 175.950 175.950 175.756 0.194 19415 729 1 2 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.501 0.004 19415 730 1 2 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.179 0.119 19415 731 1 2 . 1 1 120 120 ASN H H 120 8.232 8.232 8.092 0.140 19415 732 1 2 . 1 1 121 121 ARG N N 121 122.104 122.104 126.508 -4.404 19415 733 1 2 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.439 -0.454 19415 734 1 2 . 1 1 121 121 ARG C C 121 175.638 175.638 175.954 -0.316 19415 735 1 2 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.212 0.972 19415 736 1 2 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.280 0.287 19415 737 1 2 . 1 1 121 121 ARG H H 121 8.603 8.603 8.506 0.097 19415 738 1 2 . 1 1 122 122 LEU N N 122 127.225 127.225 127.495 -0.270 19415 739 1 2 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.323 0.206 19415 740 1 2 . 1 1 122 122 LEU C C 122 175.345 175.345 176.254 -0.909 19415 741 1 2 . 1 1 122 122 LEU CA C 122 53.827 53.827 54.962 -1.135 19415 742 1 2 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.488 -0.916 19415 743 1 2 . 1 1 122 122 LEU H H 122 8.094 8.094 7.917 0.177 19415 744 1 2 . 1 1 123 123 VAL N N 123 121.030 121.030 114.971 6.059 19415 745 1 2 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.587 -0.112 19415 746 1 2 . 1 1 123 123 VAL C C 123 173.190 173.190 173.896 -0.706 19415 747 1 2 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.381 0.650 19415 748 1 2 . 1 1 123 123 VAL CB C 123 31.454 31.454 34.218 -2.764 19415 749 1 2 . 1 1 123 123 VAL H H 123 8.416 8.416 7.998 0.418 19415 750 1 2 . 1 1 124 124 PRO HA H 124 3.640 3.640 3.841 -0.201 19415 751 1 2 . 1 1 124 124 PRO C C 124 177.425 177.425 176.775 0.650 19415 752 1 2 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.461 0.571 19415 753 1 2 . 1 1 124 124 PRO CB C 124 31.235 31.235 29.752 1.483 19415 754 1 2 . 1 1 125 125 GLY N N 125 113.120 113.120 113.742 -0.622 19415 755 1 2 . 1 1 125 125 GLY C C 125 174.384 174.384 174.035 0.349 19415 756 1 2 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.996 0.107 19415 757 1 2 . 1 1 125 125 GLY H H 125 8.574 8.574 8.555 0.019 19415 758 1 2 . 1 1 126 126 ASP N N 126 122.488 122.488 121.376 1.112 19415 759 1 2 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.963 -0.240 19415 760 1 2 . 1 1 126 126 ASP C C 126 176.558 176.558 174.852 1.706 19415 761 1 2 . 1 1 126 126 ASP CA C 126 54.324 54.324 53.033 1.291 19415 762 1 2 . 1 1 126 126 ASP CB C 126 41.602 41.602 42.109 -0.507 19415 763 1 2 . 1 1 126 126 ASP H H 126 8.476 8.476 7.991 0.485 19415 764 1 2 . 1 1 127 127 ARG N N 127 122.074 122.074 118.022 4.052 19415 765 1 2 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.293 -0.246 19415 766 1 2 . 1 1 127 127 ARG C C 127 175.671 175.671 174.484 1.187 19415 767 1 2 . 1 1 127 127 ARG CA C 127 55.559 55.559 54.913 0.646 19415 768 1 2 . 1 1 127 127 ARG CB C 127 30.862 30.862 33.539 -2.677 19415 769 1 2 . 1 1 127 127 ARG H H 127 8.697 8.697 8.257 0.440 19415 770 1 2 . 1 1 128 128 PHE N N 128 120.179 120.179 119.577 0.602 19415 771 1 2 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.745 0.449 19415 772 1 2 . 1 1 128 128 PHE C C 128 171.304 171.304 172.690 -1.386 19415 773 1 2 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.212 -0.785 19415 774 1 2 . 1 1 128 128 PHE CB C 128 43.513 43.513 41.736 1.777 19415 775 1 2 . 1 1 128 128 PHE H H 128 8.869 8.869 9.029 -0.160 19415 776 1 2 . 1 1 129 129 HIS N N 129 118.586 118.586 122.571 -3.985 19415 777 1 2 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.744 -0.063 19415 778 1 2 . 1 1 129 129 HIS C C 129 173.764 173.764 173.444 0.320 19415 779 1 2 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.866 -0.056 19415 780 1 2 . 1 1 129 129 HIS CB C 129 34.983 34.983 32.422 2.561 19415 781 1 2 . 1 1 129 129 HIS H H 129 9.292 9.292 8.846 0.446 19415 782 1 2 . 1 1 130 130 TYR N N 130 125.995 125.995 127.457 -1.462 19415 783 1 2 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.457 0.262 19415 784 1 2 . 1 1 130 130 TYR C C 130 174.625 174.625 174.307 0.318 19415 785 1 2 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.340 -0.158 19415 786 1 2 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.336 0.943 19415 787 1 2 . 1 1 130 130 TYR H H 130 8.865 8.865 8.589 0.276 19415 788 1 2 . 1 1 131 131 ILE N N 131 126.610 126.610 126.032 0.578 19415 789 1 2 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.208 0.115 19415 790 1 2 . 1 1 131 131 ILE C C 131 175.516 175.516 175.573 -0.057 19415 791 1 2 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.456 -0.729 19415 792 1 2 . 1 1 131 131 ILE CB C 131 41.170 41.170 39.450 1.720 19415 793 1 2 . 1 1 131 131 ILE H H 131 8.889 8.889 8.365 0.524 19415 794 1 2 . 1 1 132 132 ASN N N 132 126.614 126.614 126.083 0.531 19415 795 1 2 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.412 -0.051 19415 796 1 2 . 1 1 132 132 ASN C C 132 175.421 175.421 175.730 -0.309 19415 797 1 2 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.299 0.634 19415 798 1 2 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.718 -0.378 19415 799 1 2 . 1 1 132 132 ASN H H 132 9.375 9.375 9.080 0.295 19415 800 1 2 . 1 1 133 133 GLY N N 133 102.667 102.667 102.680 -0.013 19415 801 1 2 . 1 1 133 133 GLY C C 133 173.969 173.969 173.104 0.865 19415 802 1 2 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.291 0.104 19415 803 1 2 . 1 1 133 133 GLY H H 133 7.417 7.417 8.102 -0.685 19415 804 1 2 . 1 1 134 134 SER N N 134 117.123 117.123 113.890 3.233 19415 805 1 2 . 1 1 134 134 SER HA H 134 4.743 4.743 4.536 0.207 19415 806 1 2 . 1 1 134 134 SER C C 134 170.825 170.825 172.777 -1.952 19415 807 1 2 . 1 1 134 134 SER CA C 134 57.754 57.754 57.147 0.607 19415 808 1 2 . 1 1 134 134 SER CB C 134 66.060 66.060 65.581 0.479 19415 809 1 2 . 1 1 134 134 SER H H 134 7.639 7.639 7.156 0.483 19415 810 1 2 . 1 1 135 135 LEU N N 135 122.242 122.242 124.947 -2.705 19415 811 1 2 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.976 0.238 19415 812 1 2 . 1 1 135 135 LEU C C 135 177.735 177.735 175.698 2.037 19415 813 1 2 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.557 -1.129 19415 814 1 2 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.173 2.512 19415 815 1 2 . 1 1 135 135 LEU H H 135 8.236 8.236 8.273 -0.037 19415 816 1 2 . 1 1 136 136 PHE N N 136 118.689 118.689 121.480 -2.791 19415 817 1 2 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.077 0.913 19415 818 1 2 . 1 1 136 136 PHE C C 136 175.971 175.971 175.043 0.928 19415 819 1 2 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.357 0.547 19415 820 1 2 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.646 0.683 19415 821 1 2 . 1 1 136 136 PHE H H 136 9.221 9.221 9.059 0.162 19415 822 1 2 . 1 1 137 137 CYS N N 137 121.328 121.328 118.098 3.230 19415 823 1 2 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.097 -0.131 19415 824 1 2 . 1 1 137 137 CYS C C 137 175.030 175.030 174.849 0.181 19415 825 1 2 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.626 0.927 19415 826 1 2 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.138 -0.913 19415 827 1 2 . 1 1 137 137 CYS H H 137 9.716 9.716 9.185 0.531 19415 828 1 2 . 1 1 138 138 GLU N N 138 118.055 118.055 119.863 -1.808 19415 829 1 2 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.303 -0.160 19415 830 1 2 . 1 1 138 138 GLU C C 138 178.535 178.535 177.862 0.673 19415 831 1 2 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.108 0.461 19415 832 1 2 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.651 0.244 19415 833 1 2 . 1 1 138 138 GLU H H 138 8.476 8.476 8.822 -0.345 19415 834 1 2 . 1 1 139 139 HIS N N 139 117.190 117.190 118.332 -1.142 19415 835 1 2 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.394 0.036 19415 836 1 2 . 1 1 139 139 HIS C C 139 175.584 175.584 176.212 -0.628 19415 837 1 2 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.757 -0.627 19415 838 1 2 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.408 -1.462 19415 839 1 2 . 1 1 139 139 HIS H H 139 8.365 8.365 7.868 0.497 19415 840 1 2 . 1 1 140 140 ASP N N 140 118.373 118.373 117.143 1.230 19415 841 1 2 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.527 0.429 19415 842 1 2 . 1 1 140 140 ASP C C 140 174.258 174.258 176.505 -2.247 19415 843 1 2 . 1 1 140 140 ASP CA C 140 54.319 54.319 54.717 -0.398 19415 844 1 2 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.616 0.701 19415 845 1 2 . 1 1 140 140 ASP H H 140 8.082 8.082 8.113 -0.031 19415 846 1 2 . 1 1 141 141 ARG N N 141 121.880 121.880 120.640 1.240 19415 847 1 2 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.729 -0.113 19415 848 1 2 . 1 1 141 141 ARG C C 141 173.939 173.939 173.580 0.359 19415 849 1 2 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.712 -0.990 19415 850 1 2 . 1 1 141 141 ARG CB C 141 29.423 29.423 28.952 0.471 19415 851 1 2 . 1 1 141 141 ARG H H 141 7.120 7.120 7.862 -0.742 19415 852 1 2 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.246 0.004 19415 853 1 2 . 1 1 142 142 PRO C C 142 176.688 176.688 176.906 -0.218 19415 854 1 2 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.903 -0.204 19415 855 1 2 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.028 0.221 19415 856 1 2 . 1 1 143 143 THR N N 143 115.472 115.472 118.317 -2.845 19415 857 1 2 . 1 1 143 143 THR HA H 143 3.924 3.924 4.249 -0.325 19415 858 1 2 . 1 1 143 143 THR C C 143 174.890 174.890 175.177 -0.287 19415 859 1 2 . 1 1 143 143 THR CA C 143 63.099 63.099 63.304 -0.205 19415 860 1 2 . 1 1 143 143 THR CB C 143 69.197 69.197 68.393 0.804 19415 861 1 2 . 1 1 143 143 THR H H 143 8.015 8.015 8.058 -0.043 19415 862 1 2 . 1 1 144 144 ALA N N 144 124.502 124.502 122.988 1.514 19415 863 1 2 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.347 -0.147 19415 864 1 2 . 1 1 144 144 ALA C C 144 177.656 177.656 177.669 -0.013 19415 865 1 2 . 1 1 144 144 ALA CA C 144 52.807 52.807 53.556 -0.749 19415 866 1 2 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.444 0.561 19415 867 1 2 . 1 1 144 144 ALA H H 144 8.130 8.130 8.134 -0.004 19415 868 1 2 . 1 1 145 145 LEU N N 145 119.506 119.506 117.594 1.912 19415 869 1 2 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.424 -0.148 19415 870 1 2 . 1 1 145 145 LEU C C 145 177.574 177.574 177.093 0.481 19415 871 1 2 . 1 1 145 145 LEU CA C 145 55.067 55.067 55.537 -0.470 19415 872 1 2 . 1 1 145 145 LEU CB C 145 42.231 42.231 43.694 -1.463 19415 873 1 2 . 1 1 145 145 LEU H H 145 7.897 7.897 7.434 0.463 19415 874 1 2 . 1 1 146 146 ILE N N 146 120.683 120.683 117.121 3.562 19415 875 1 2 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.103 -0.048 19415 876 1 2 . 1 1 146 146 ILE C C 146 176.259 176.259 175.627 0.632 19415 877 1 2 . 1 1 146 146 ILE CA C 146 61.486 61.486 60.899 0.587 19415 878 1 2 . 1 1 146 146 ILE CB C 146 38.629 38.629 37.904 0.725 19415 879 1 2 . 1 1 146 146 ILE H H 146 7.842 7.842 7.380 0.462 19415 880 1 2 . 1 1 405 405 ALA N N 405 133.214 133.214 122.355 10.859 19415 881 1 2 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.553 -0.082 19415 882 1 2 . 1 1 405 405 ALA CA C 405 50.818 50.818 52.273 -1.455 19415 883 1 2 . 1 1 405 405 ALA CB C 405 17.047 17.047 19.441 -2.394 19415 884 1 2 . 1 1 405 405 ALA H H 405 9.651 9.651 7.983 1.668 19415 885 1 2 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.502 0.085 19415 886 1 2 . 1 1 406 406 PRO C C 406 174.175 174.175 175.885 -1.710 19415 887 1 2 . 1 1 406 406 PRO CA C 406 61.942 61.942 63.133 -1.191 19415 888 1 2 . 1 1 406 406 PRO CB C 406 32.989 32.989 31.862 1.127 19415 889 1 2 . 1 1 407 407 PHE N N 407 113.077 113.077 114.636 -1.559 19415 890 1 2 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.238 0.266 19415 891 1 2 . 1 1 407 407 PHE C C 407 174.954 174.954 173.253 1.701 19415 892 1 2 . 1 1 407 407 PHE CA C 407 57.263 57.263 57.319 -0.056 19415 893 1 2 . 1 1 407 407 PHE CB C 407 38.318 38.318 38.913 -0.596 19415 894 1 2 . 1 1 407 407 PHE H H 407 7.899 7.899 7.454 0.445 19415 895 1 2 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.570 0.183 19415 896 1 2 . 1 1 408 408 PRO C C 408 175.865 175.865 175.626 0.239 19415 897 1 2 . 1 1 408 408 PRO CA C 408 62.926 62.926 63.099 -0.173 19415 898 1 2 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.938 1.519 19415 899 1 2 . 1 1 409 409 GLU N N 409 119.349 119.349 124.301 -4.952 19415 900 1 2 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.627 0.096 19415 901 1 2 . 1 1 409 409 GLU C C 409 174.291 174.291 174.781 -0.490 19415 902 1 2 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.677 -0.497 19415 903 1 2 . 1 1 409 409 GLU CB C 409 34.429 34.429 34.404 0.025 19415 904 1 2 . 1 1 409 409 GLU H H 409 8.813 8.813 8.936 -0.123 19415 905 1 2 . 1 1 410 410 ALA N N 410 124.017 124.017 121.275 2.742 19415 906 1 2 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.802 -0.471 19415 907 1 2 . 1 1 410 410 ALA C C 410 178.181 178.181 176.624 1.557 19415 908 1 2 . 1 1 410 410 ALA CA C 410 52.241 52.241 51.618 0.623 19415 909 1 2 . 1 1 410 410 ALA CB C 410 19.102 19.102 20.705 -1.603 19415 910 1 2 . 1 1 410 410 ALA H H 410 8.562 8.562 8.517 0.045 19415 911 1 2 . 1 1 411 411 ALA N N 411 124.837 124.837 127.087 -2.250 19415 912 1 2 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.303 -0.374 19415 913 1 2 . 1 1 411 411 ALA C C 411 178.042 178.042 176.841 1.201 19415 914 1 2 . 1 1 411 411 ALA CA C 411 54.247 54.247 52.701 1.546 19415 915 1 2 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.053 -0.323 19415 916 1 2 . 1 1 411 411 ALA H H 411 8.475 8.475 8.433 0.042 19415 917 1 2 . 1 1 412 412 LEU N N 412 119.893 119.893 120.359 -0.466 19415 918 1 2 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.766 -0.058 19415 919 1 2 . 1 1 412 412 LEU C C 412 174.281 174.281 174.480 -0.199 19415 920 1 2 . 1 1 412 412 LEU CA C 412 52.130 52.130 51.780 0.350 19415 921 1 2 . 1 1 412 412 LEU CB C 412 42.645 42.645 43.957 -1.312 19415 922 1 2 . 1 1 412 412 LEU H H 412 8.075 8.075 8.018 0.057 19415 923 1 2 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.439 0.014 19415 924 1 2 . 1 1 413 413 PRO C C 413 177.094 177.094 176.185 0.909 19415 925 1 2 . 1 1 413 413 PRO CA C 413 63.001 63.001 63.009 -0.008 19415 926 1 2 . 1 1 413 413 PRO CB C 413 32.179 32.179 31.916 0.263 19415 927 1 2 . 1 1 414 414 THR N N 414 114.256 114.256 119.063 -4.807 19415 928 1 2 . 1 1 414 414 THR HA H 414 4.294 4.294 4.169 0.125 19415 929 1 2 . 1 1 414 414 THR C C 414 174.480 174.480 176.108 -1.628 19415 930 1 2 . 1 1 414 414 THR CA C 414 61.757 61.757 63.708 -1.951 19415 931 1 2 . 1 1 414 414 THR CB C 414 69.712 69.712 69.419 0.293 19415 932 1 2 . 1 1 414 414 THR H H 414 8.177 8.177 8.226 -0.049 19415 933 1 2 . 1 1 415 415 SER N N 415 117.918 117.918 121.977 -4.059 19415 934 1 2 . 1 1 415 415 SER HA H 415 4.424 4.424 4.412 0.012 19415 935 1 2 . 1 1 415 415 SER C C 415 173.689 173.689 173.680 0.009 19415 936 1 2 . 1 1 415 415 SER CA C 415 58.072 58.072 58.479 -0.407 19415 937 1 2 . 1 1 415 415 SER CB C 415 63.852 63.852 62.129 1.723 19415 938 1 2 . 1 1 415 415 SER H H 415 8.193 8.193 8.777 -0.584 19415 939 1 2 . 1 1 416 416 HIS N N 416 121.537 121.537 125.957 -4.420 19415 940 1 2 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.909 0.033 19415 941 1 2 . 1 1 416 416 HIS C C 416 172.547 172.547 174.756 -2.209 19415 942 1 2 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.277 -0.575 19415 943 1 2 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.552 -1.090 19415 944 1 2 . 1 1 416 416 HIS H H 416 8.373 8.373 8.123 0.250 19415 945 1 2 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.422 -0.001 19415 946 1 2 . 1 1 417 417 PRO C C 417 176.060 176.060 176.754 -0.694 19415 947 1 2 . 1 1 417 417 PRO CA C 417 63.448 63.448 63.238 0.210 19415 948 1 2 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.698 -0.539 19415 949 1 2 . 1 1 902 902 GLY N N 902 108.524 108.524 111.140 -2.616 19415 950 1 2 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.678 0.681 19415 951 1 2 . 1 1 902 902 GLY H H 902 8.196 8.196 7.941 0.255 19415 952 1 2 . 1 1 903 903 SER N N 903 115.821 115.821 121.042 -5.221 19415 953 1 2 . 1 1 903 903 SER HA H 903 4.403 4.403 4.462 -0.059 19415 954 1 2 . 1 1 903 903 SER CA C 903 58.602 58.602 57.833 0.769 19415 955 1 2 . 1 1 903 903 SER CB C 903 63.762 63.762 61.956 1.806 19415 956 1 2 . 1 1 903 903 SER H H 903 8.354 8.354 8.380 -0.026 19415 957 1 2 . 1 1 904 904 GLY N N 904 110.847 110.847 112.835 -1.988 19415 958 1 2 . 1 1 904 904 GLY C C 904 174.889 174.889 174.306 0.583 19415 959 1 2 . 1 1 904 904 GLY CA C 904 45.594 45.594 45.711 -0.117 19415 960 1 2 . 1 1 904 904 GLY H H 904 8.558 8.558 8.527 0.031 19415 961 1 2 . 1 1 905 905 GLY N N 905 108.922 108.922 112.204 -3.282 19415 962 1 2 . 1 1 905 905 GLY C C 905 174.452 174.452 173.133 1.319 19415 963 1 2 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.918 0.631 19415 964 1 2 . 1 1 905 905 GLY H H 905 8.307 8.307 8.081 0.226 19415 965 1 2 . 1 1 906 906 SER N N 906 115.224 115.224 117.996 -2.772 19415 966 1 2 . 1 1 906 906 SER HA H 906 4.552 4.552 4.668 -0.116 19415 967 1 2 . 1 1 906 906 SER C C 906 175.108 175.108 173.733 1.375 19415 968 1 2 . 1 1 906 906 SER CA C 906 58.647 58.647 57.903 0.744 19415 969 1 2 . 1 1 906 906 SER CB C 906 64.091 64.091 66.335 -2.244 19415 970 1 2 . 1 1 906 906 SER H H 906 8.362 8.362 8.229 0.133 19415 971 1 2 . 1 1 907 907 GLY N N 907 110.875 110.875 109.974 0.901 19415 972 1 2 . 1 1 907 907 GLY C C 907 173.335 173.335 173.026 0.309 19415 973 1 2 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.650 0.360 19415 974 1 2 . 1 1 907 907 GLY H H 907 8.437 8.437 8.243 0.194 19415 975 1 3 . 1 1 78 78 ILE N N 78 124.415 124.415 119.296 5.119 19415 976 1 3 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.592 -0.550 19415 977 1 3 . 1 1 78 78 ILE C C 78 175.260 175.260 175.361 -0.101 19415 978 1 3 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.391 -0.664 19415 979 1 3 . 1 1 78 78 ILE CB C 78 38.922 38.922 37.856 1.066 19415 980 1 3 . 1 1 78 78 ILE H H 78 8.025 8.025 7.880 0.145 19415 981 1 3 . 1 1 79 79 ARG N N 79 125.999 125.999 126.735 -0.736 19415 982 1 3 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.412 -0.197 19415 983 1 3 . 1 1 79 79 ARG C C 79 175.494 175.494 175.254 0.240 19415 984 1 3 . 1 1 79 79 ARG CA C 79 55.856 55.856 56.485 -0.629 19415 985 1 3 . 1 1 79 79 ARG CB C 79 30.774 30.774 31.585 -0.812 19415 986 1 3 . 1 1 79 79 ARG H H 79 8.249 8.249 8.810 -0.561 19415 987 1 3 . 1 1 80 80 LEU N N 80 124.427 124.427 115.974 8.453 19415 988 1 3 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.905 -0.613 19415 989 1 3 . 1 1 80 80 LEU C C 80 176.785 176.785 176.224 0.561 19415 990 1 3 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.625 1.195 19415 991 1 3 . 1 1 80 80 LEU CB C 80 42.520 42.520 44.043 -1.523 19415 992 1 3 . 1 1 80 80 LEU H H 80 8.190 8.190 7.675 0.515 19415 993 1 3 . 1 1 81 81 PHE N N 81 120.462 120.462 121.358 -0.896 19415 994 1 3 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.572 0.052 19415 995 1 3 . 1 1 81 81 PHE C C 81 176.212 176.212 175.667 0.545 19415 996 1 3 . 1 1 81 81 PHE CA C 81 57.570 57.570 58.172 -0.602 19415 997 1 3 . 1 1 81 81 PHE CB C 81 39.802 39.802 37.030 2.772 19415 998 1 3 . 1 1 81 81 PHE H H 81 8.244 8.244 8.634 -0.390 19415 999 1 3 . 1 1 82 82 GLY N N 82 110.003 110.003 113.836 -3.833 19415 1000 1 3 . 1 1 82 82 GLY C C 82 173.730 173.730 172.806 0.924 19415 1001 1 3 . 1 1 82 82 GLY CA C 82 45.415 45.415 45.287 0.128 19415 1002 1 3 . 1 1 82 82 GLY H H 82 8.351 8.351 7.958 0.393 19415 1003 1 3 . 1 1 83 83 ASN N N 83 118.840 118.840 119.587 -0.747 19415 1004 1 3 . 1 1 83 83 ASN HA H 83 4.794 4.794 5.109 -0.315 19415 1005 1 3 . 1 1 83 83 ASN C C 83 175.312 175.312 174.312 1.000 19415 1006 1 3 . 1 1 83 83 ASN CA C 83 52.996 52.996 52.500 0.496 19415 1007 1 3 . 1 1 83 83 ASN CB C 83 39.137 39.137 39.330 -0.192 19415 1008 1 3 . 1 1 83 83 ASN H H 83 8.325 8.325 8.648 -0.323 19415 1009 1 3 . 1 1 84 84 SER N N 84 116.555 116.555 115.760 0.795 19415 1010 1 3 . 1 1 84 84 SER CA C 84 58.823 58.823 58.389 0.434 19415 1011 1 3 . 1 1 84 84 SER CB C 84 63.887 63.887 64.455 -0.568 19415 1012 1 3 . 1 1 84 84 SER H H 84 8.463 8.463 7.913 0.550 19415 1013 1 3 . 1 1 85 85 GLY N N 85 109.826 109.826 109.955 -0.129 19415 1014 1 3 . 1 1 85 85 GLY C C 85 172.709 172.709 172.518 0.191 19415 1015 1 3 . 1 1 85 85 GLY CA C 85 45.153 45.153 44.655 0.498 19415 1016 1 3 . 1 1 85 85 GLY H H 85 8.341 8.341 7.959 0.382 19415 1017 1 3 . 1 1 86 86 ALA N N 86 122.100 122.100 127.048 -4.948 19415 1018 1 3 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.975 -0.528 19415 1019 1 3 . 1 1 86 86 ALA C C 86 175.383 175.383 175.367 0.016 19415 1020 1 3 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.242 0.281 19415 1021 1 3 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.764 -1.052 19415 1022 1 3 . 1 1 86 86 ALA H H 86 7.703 7.703 8.069 -0.366 19415 1023 1 3 . 1 1 87 87 CYS N N 87 121.922 121.922 119.079 2.843 19415 1024 1 3 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.437 -0.240 19415 1025 1 3 . 1 1 87 87 CYS C C 87 178.454 178.454 176.341 2.113 19415 1026 1 3 . 1 1 87 87 CYS CA C 87 58.515 58.515 58.072 0.443 19415 1027 1 3 . 1 1 87 87 CYS CB C 87 31.600 31.600 29.311 2.289 19415 1028 1 3 . 1 1 87 87 CYS H H 87 7.968 7.968 8.358 -0.390 19415 1029 1 3 . 1 1 88 88 SER N N 88 126.804 126.804 121.442 5.362 19415 1030 1 3 . 1 1 88 88 SER HA H 88 4.174 4.174 4.394 -0.220 19415 1031 1 3 . 1 1 88 88 SER C C 88 173.647 173.647 175.031 -1.384 19415 1032 1 3 . 1 1 88 88 SER CA C 88 62.158 62.158 60.765 1.393 19415 1033 1 3 . 1 1 88 88 SER CB C 88 63.401 63.401 62.932 0.469 19415 1034 1 3 . 1 1 88 88 SER H H 88 9.202 9.202 8.478 0.724 19415 1035 1 3 . 1 1 89 89 ALA N N 89 123.763 123.763 123.736 0.027 19415 1036 1 3 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.708 0.128 19415 1037 1 3 . 1 1 89 89 ALA C C 89 178.007 178.007 178.283 -0.276 19415 1038 1 3 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.442 0.491 19415 1039 1 3 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.101 2.144 19415 1040 1 3 . 1 1 89 89 ALA H H 89 8.964 8.964 7.793 1.171 19415 1041 1 3 . 1 1 90 90 CYS N N 90 115.099 115.099 117.785 -2.686 19415 1042 1 3 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.561 0.471 19415 1043 1 3 . 1 1 90 90 CYS C C 90 177.164 177.164 176.381 0.783 19415 1044 1 3 . 1 1 90 90 CYS CA C 90 58.754 58.754 59.958 -1.204 19415 1045 1 3 . 1 1 90 90 CYS CB C 90 31.688 31.688 28.532 3.156 19415 1046 1 3 . 1 1 90 90 CYS H H 90 8.078 8.078 8.050 0.028 19415 1047 1 3 . 1 1 91 91 GLY N N 91 112.869 112.869 105.528 7.341 19415 1048 1 3 . 1 1 91 91 GLY C C 91 173.725 173.725 173.689 0.036 19415 1049 1 3 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.272 1.031 19415 1050 1 3 . 1 1 91 91 GLY H H 91 7.996 7.996 8.300 -0.304 19415 1051 1 3 . 1 1 92 92 GLN N N 92 119.848 119.848 119.708 0.140 19415 1052 1 3 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.448 0.127 19415 1053 1 3 . 1 1 92 92 GLN C C 92 176.015 176.015 176.469 -0.454 19415 1054 1 3 . 1 1 92 92 GLN CA C 92 54.954 54.954 55.733 -0.779 19415 1055 1 3 . 1 1 92 92 GLN CB C 92 30.026 30.026 29.683 0.343 19415 1056 1 3 . 1 1 92 92 GLN H H 92 8.341 8.341 8.086 0.255 19415 1057 1 3 . 1 1 93 93 SER N N 93 116.734 116.734 118.073 -1.339 19415 1058 1 3 . 1 1 93 93 SER C C 93 173.776 173.776 174.916 -1.140 19415 1059 1 3 . 1 1 93 93 SER CA C 93 59.491 59.491 59.483 0.008 19415 1060 1 3 . 1 1 93 93 SER CB C 93 63.707 63.707 63.835 -0.128 19415 1061 1 3 . 1 1 93 93 SER H H 93 8.656 8.656 8.780 -0.124 19415 1062 1 3 . 1 1 94 94 ILE N N 94 126.045 126.045 124.710 1.335 19415 1063 1 3 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.516 -0.174 19415 1064 1 3 . 1 1 94 94 ILE CA C 94 58.525 58.525 59.269 -0.744 19415 1065 1 3 . 1 1 94 94 ILE CB C 94 39.907 39.907 39.062 0.845 19415 1066 1 3 . 1 1 94 94 ILE H H 94 8.281 8.281 8.638 -0.357 19415 1067 1 3 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.588 -0.115 19415 1068 1 3 . 1 1 95 95 PRO C C 95 176.605 176.605 176.893 -0.288 19415 1069 1 3 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.212 0.640 19415 1070 1 3 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.345 0.446 19415 1071 1 3 . 1 1 96 96 ALA N N 96 122.591 122.591 126.180 -3.589 19415 1072 1 3 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.262 -0.262 19415 1073 1 3 . 1 1 96 96 ALA C C 96 177.763 177.763 177.316 0.447 19415 1074 1 3 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.785 0.820 19415 1075 1 3 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.355 0.751 19415 1076 1 3 . 1 1 96 96 ALA H H 96 8.400 8.400 8.508 -0.108 19415 1077 1 3 . 1 1 97 97 SER N N 97 107.288 107.288 112.395 -5.107 19415 1078 1 3 . 1 1 97 97 SER HA H 97 4.270 4.270 4.640 -0.370 19415 1079 1 3 . 1 1 97 97 SER C C 97 174.625 174.625 173.742 0.883 19415 1080 1 3 . 1 1 97 97 SER CA C 97 58.532 58.532 58.322 0.210 19415 1081 1 3 . 1 1 97 97 SER CB C 97 63.538 63.538 63.523 0.015 19415 1082 1 3 . 1 1 97 97 SER H H 97 7.796 7.796 8.157 -0.361 19415 1083 1 3 . 1 1 98 98 GLU N N 98 124.231 124.231 121.676 2.555 19415 1084 1 3 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.597 -0.340 19415 1085 1 3 . 1 1 98 98 GLU C C 98 175.476 175.476 174.485 0.991 19415 1086 1 3 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.222 1.299 19415 1087 1 3 . 1 1 98 98 GLU CB C 98 31.081 31.081 33.764 -2.683 19415 1088 1 3 . 1 1 98 98 GLU H H 98 7.649 7.649 7.514 0.135 19415 1089 1 3 . 1 1 99 99 LEU N N 99 122.696 122.696 122.765 -0.069 19415 1090 1 3 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.814 -0.309 19415 1091 1 3 . 1 1 99 99 LEU C C 99 176.253 176.253 176.113 0.140 19415 1092 1 3 . 1 1 99 99 LEU CA C 99 54.635 54.635 53.674 0.961 19415 1093 1 3 . 1 1 99 99 LEU CB C 99 42.967 42.967 42.592 0.375 19415 1094 1 3 . 1 1 99 99 LEU H H 99 8.250 8.250 8.435 -0.185 19415 1095 1 3 . 1 1 100 100 VAL N N 100 112.933 112.933 118.572 -5.639 19415 1096 1 3 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.498 0.405 19415 1097 1 3 . 1 1 100 100 VAL C C 100 175.544 175.544 174.460 1.084 19415 1098 1 3 . 1 1 100 100 VAL CA C 100 58.747 58.747 58.968 -0.221 19415 1099 1 3 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.911 0.987 19415 1100 1 3 . 1 1 100 100 VAL H H 100 8.934 8.934 8.804 0.130 19415 1101 1 3 . 1 1 101 101 MET N N 101 116.964 116.964 122.416 -5.452 19415 1102 1 3 . 1 1 101 101 MET HA H 101 4.676 4.676 4.413 0.263 19415 1103 1 3 . 1 1 101 101 MET C C 101 175.197 175.197 174.861 0.336 19415 1104 1 3 . 1 1 101 101 MET CA C 101 52.397 52.397 55.535 -3.138 19415 1105 1 3 . 1 1 101 101 MET CB C 101 34.490 34.490 34.421 0.069 19415 1106 1 3 . 1 1 101 101 MET H H 101 8.299 8.299 8.597 -0.298 19415 1107 1 3 . 1 1 102 102 ARG N N 102 122.278 122.278 119.055 3.223 19415 1108 1 3 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.771 0.383 19415 1109 1 3 . 1 1 102 102 ARG C C 102 175.008 175.008 173.765 1.243 19415 1110 1 3 . 1 1 102 102 ARG CA C 102 54.850 54.850 54.247 0.603 19415 1111 1 3 . 1 1 102 102 ARG CB C 102 32.335 32.335 32.764 -0.430 19415 1112 1 3 . 1 1 102 102 ARG H H 102 8.112 8.112 8.112 0.000 19415 1113 1 3 . 1 1 103 103 ALA N N 103 123.373 123.373 124.262 -0.889 19415 1114 1 3 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.724 -0.125 19415 1115 1 3 . 1 1 103 103 ALA C C 103 176.137 176.137 176.360 -0.223 19415 1116 1 3 . 1 1 103 103 ALA CA C 103 52.049 52.049 51.300 0.749 19415 1117 1 3 . 1 1 103 103 ALA CB C 103 21.835 21.835 20.051 1.784 19415 1118 1 3 . 1 1 103 103 ALA H H 103 8.129 8.129 8.148 -0.019 19415 1119 1 3 . 1 1 104 104 GLN N N 104 120.352 120.352 118.545 1.807 19415 1120 1 3 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.450 -0.648 19415 1121 1 3 . 1 1 104 104 GLN C C 104 175.032 175.032 175.884 -0.852 19415 1122 1 3 . 1 1 104 104 GLN CA C 104 56.385 56.385 57.944 -1.560 19415 1123 1 3 . 1 1 104 104 GLN CB C 104 25.801 25.801 29.157 -3.356 19415 1124 1 3 . 1 1 104 104 GLN H H 104 9.312 9.312 8.885 0.427 19415 1125 1 3 . 1 1 105 105 GLY N N 105 105.580 105.580 107.714 -2.134 19415 1126 1 3 . 1 1 105 105 GLY C C 105 173.414 173.414 174.176 -0.762 19415 1127 1 3 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.280 0.195 19415 1128 1 3 . 1 1 105 105 GLY H H 105 8.493 8.493 8.093 0.400 19415 1129 1 3 . 1 1 106 106 ASN N N 106 120.347 120.347 120.155 0.192 19415 1130 1 3 . 1 1 106 106 ASN HA H 106 4.820 4.820 5.356 -0.536 19415 1131 1 3 . 1 1 106 106 ASN C C 106 174.060 174.060 173.741 0.319 19415 1132 1 3 . 1 1 106 106 ASN CA C 106 51.777 51.777 51.930 -0.153 19415 1133 1 3 . 1 1 106 106 ASN CB C 106 41.604 41.604 41.322 0.282 19415 1134 1 3 . 1 1 106 106 ASN H H 106 8.085 8.085 7.970 0.115 19415 1135 1 3 . 1 1 107 107 VAL N N 107 118.992 118.992 115.442 3.550 19415 1136 1 3 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.178 0.596 19415 1137 1 3 . 1 1 107 107 VAL C C 107 173.066 173.066 174.324 -1.258 19415 1138 1 3 . 1 1 107 107 VAL CA C 107 60.576 60.576 61.117 -0.541 19415 1139 1 3 . 1 1 107 107 VAL CB C 107 34.475 34.475 32.440 2.035 19415 1140 1 3 . 1 1 107 107 VAL H H 107 8.207 8.207 7.564 0.643 19415 1141 1 3 . 1 1 108 108 TYR N N 108 121.397 121.397 121.149 0.248 19415 1142 1 3 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.886 1.044 19415 1143 1 3 . 1 1 108 108 TYR C C 108 177.709 177.709 175.548 2.161 19415 1144 1 3 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.071 -0.069 19415 1145 1 3 . 1 1 108 108 TYR CB C 108 42.938 42.938 41.556 1.381 19415 1146 1 3 . 1 1 108 108 TYR H H 108 8.681 8.681 8.531 0.150 19415 1147 1 3 . 1 1 109 109 HIS N N 109 120.399 120.399 117.129 3.270 19415 1148 1 3 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.723 0.034 19415 1149 1 3 . 1 1 109 109 HIS C C 109 178.297 178.297 176.254 2.043 19415 1150 1 3 . 1 1 109 109 HIS CA C 109 59.269 59.269 54.487 4.782 19415 1151 1 3 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.553 -0.114 19415 1152 1 3 . 1 1 109 109 HIS H H 109 8.681 8.681 8.737 -0.056 19415 1153 1 3 . 1 1 110 110 LEU N N 110 124.629 124.629 116.088 8.541 19415 1154 1 3 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.571 -0.689 19415 1155 1 3 . 1 1 110 110 LEU C C 110 180.956 180.956 177.764 3.192 19415 1156 1 3 . 1 1 110 110 LEU CA C 110 60.072 60.072 56.731 3.341 19415 1157 1 3 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.413 -1.931 19415 1158 1 3 . 1 1 110 110 LEU H H 110 8.924 8.924 8.541 0.383 19415 1159 1 3 . 1 1 111 111 LYS N N 111 112.542 112.542 116.559 -4.017 19415 1160 1 3 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.203 -0.207 19415 1161 1 3 . 1 1 111 111 LYS C C 111 176.711 176.711 178.033 -1.322 19415 1162 1 3 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.643 -0.706 19415 1163 1 3 . 1 1 111 111 LYS CB C 111 31.709 31.709 32.170 -0.461 19415 1164 1 3 . 1 1 111 111 LYS H H 111 8.586 8.586 7.964 0.622 19415 1165 1 3 . 1 1 112 112 CYS N N 112 117.897 117.897 115.546 2.351 19415 1166 1 3 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.610 -0.218 19415 1167 1 3 . 1 1 112 112 CYS C C 112 173.923 173.923 175.988 -2.065 19415 1168 1 3 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.791 1.464 19415 1169 1 3 . 1 1 112 112 CYS CB C 112 31.434 31.434 25.857 5.577 19415 1170 1 3 . 1 1 112 112 CYS H H 112 7.439 7.439 8.473 -1.034 19415 1171 1 3 . 1 1 113 113 PHE N N 113 126.150 126.150 124.615 1.535 19415 1172 1 3 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.406 -0.325 19415 1173 1 3 . 1 1 113 113 PHE C C 113 172.777 172.777 174.144 -1.367 19415 1174 1 3 . 1 1 113 113 PHE CA C 113 57.131 57.131 55.826 1.305 19415 1175 1 3 . 1 1 113 113 PHE CB C 113 36.809 36.809 36.816 -0.007 19415 1176 1 3 . 1 1 113 113 PHE H H 113 7.467 7.467 8.232 -0.765 19415 1177 1 3 . 1 1 114 114 THR N N 114 112.302 112.302 112.533 -0.231 19415 1178 1 3 . 1 1 114 114 THR HA H 114 4.577 4.577 4.734 -0.157 19415 1179 1 3 . 1 1 114 114 THR C C 114 172.592 172.592 173.051 -0.459 19415 1180 1 3 . 1 1 114 114 THR CA C 114 57.922 57.922 59.710 -1.788 19415 1181 1 3 . 1 1 114 114 THR CB C 114 72.187 72.187 71.809 0.378 19415 1182 1 3 . 1 1 114 114 THR H H 114 6.895 6.895 7.827 -0.932 19415 1183 1 3 . 1 1 115 115 CYS N N 115 121.388 121.388 122.991 -1.603 19415 1184 1 3 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.357 -0.567 19415 1185 1 3 . 1 1 115 115 CYS C C 115 177.309 177.309 176.430 0.879 19415 1186 1 3 . 1 1 115 115 CYS CA C 115 59.284 59.284 59.571 -0.287 19415 1187 1 3 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.210 3.411 19415 1188 1 3 . 1 1 115 115 CYS H H 115 7.981 7.981 8.538 -0.557 19415 1189 1 3 . 1 1 116 116 SER N N 116 127.333 127.333 125.262 2.071 19415 1190 1 3 . 1 1 116 116 SER HA H 116 4.066 4.066 4.453 -0.387 19415 1191 1 3 . 1 1 116 116 SER C C 116 174.522 174.522 174.962 -0.440 19415 1192 1 3 . 1 1 116 116 SER CA C 116 61.507 61.507 61.300 0.207 19415 1193 1 3 . 1 1 116 116 SER CB C 116 63.619 63.619 63.130 0.489 19415 1194 1 3 . 1 1 116 116 SER H H 116 9.064 9.064 9.149 -0.085 19415 1195 1 3 . 1 1 117 117 THR N N 117 121.020 121.020 116.875 4.145 19415 1196 1 3 . 1 1 117 117 THR HA H 117 4.384 4.384 4.515 -0.131 19415 1197 1 3 . 1 1 117 117 THR C C 117 174.713 174.713 175.291 -0.578 19415 1198 1 3 . 1 1 117 117 THR CA C 117 65.378 65.378 63.665 1.713 19415 1199 1 3 . 1 1 117 117 THR CB C 117 69.656 69.656 69.270 0.385 19415 1200 1 3 . 1 1 117 117 THR H H 117 8.939 8.939 8.128 0.811 19415 1201 1 3 . 1 1 118 118 CYS N N 118 120.215 120.215 117.718 2.497 19415 1202 1 3 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.840 -0.492 19415 1203 1 3 . 1 1 118 118 CYS C C 118 176.041 176.041 174.949 1.092 19415 1204 1 3 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.180 2.307 19415 1205 1 3 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.451 0.373 19415 1206 1 3 . 1 1 118 118 CYS H H 118 8.180 8.180 7.657 0.523 19415 1207 1 3 . 1 1 119 119 ARG N N 119 114.664 114.664 119.215 -4.551 19415 1208 1 3 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.194 -0.083 19415 1209 1 3 . 1 1 119 119 ARG C C 119 174.910 174.910 175.013 -0.103 19415 1210 1 3 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.992 0.581 19415 1211 1 3 . 1 1 119 119 ARG CB C 119 26.358 26.358 28.534 -2.176 19415 1212 1 3 . 1 1 119 119 ARG H H 119 7.545 7.545 8.243 -0.698 19415 1213 1 3 . 1 1 120 120 ASN N N 120 118.962 118.962 118.644 0.318 19415 1214 1 3 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.535 0.217 19415 1215 1 3 . 1 1 120 120 ASN C C 120 175.950 175.950 174.934 1.016 19415 1216 1 3 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.346 0.158 19415 1217 1 3 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.140 0.158 19415 1218 1 3 . 1 1 120 120 ASN H H 120 8.232 8.232 7.739 0.493 19415 1219 1 3 . 1 1 121 121 ARG N N 121 122.104 122.104 127.574 -5.470 19415 1220 1 3 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.175 -0.190 19415 1221 1 3 . 1 1 121 121 ARG C C 121 175.638 175.638 176.027 -0.389 19415 1222 1 3 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.499 0.684 19415 1223 1 3 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.316 0.251 19415 1224 1 3 . 1 1 121 121 ARG H H 121 8.603 8.603 8.454 0.149 19415 1225 1 3 . 1 1 122 122 LEU N N 122 127.225 127.225 128.014 -0.789 19415 1226 1 3 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.197 0.332 19415 1227 1 3 . 1 1 122 122 LEU C C 122 175.345 175.345 176.233 -0.888 19415 1228 1 3 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.388 -1.561 19415 1229 1 3 . 1 1 122 122 LEU CB C 122 41.572 41.572 41.949 -0.377 19415 1230 1 3 . 1 1 122 122 LEU H H 122 8.094 8.094 8.022 0.072 19415 1231 1 3 . 1 1 123 123 VAL N N 123 121.030 121.030 123.542 -2.512 19415 1232 1 3 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.423 0.052 19415 1233 1 3 . 1 1 123 123 VAL C C 123 173.190 173.190 173.830 -0.640 19415 1234 1 3 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.864 0.167 19415 1235 1 3 . 1 1 123 123 VAL CB C 123 31.454 31.454 33.105 -1.651 19415 1236 1 3 . 1 1 123 123 VAL H H 123 8.416 8.416 8.477 -0.061 19415 1237 1 3 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.252 -0.612 19415 1238 1 3 . 1 1 124 124 PRO C C 124 177.425 177.425 177.361 0.064 19415 1239 1 3 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.147 0.885 19415 1240 1 3 . 1 1 124 124 PRO CB C 124 31.235 31.235 29.887 1.348 19415 1241 1 3 . 1 1 125 125 GLY N N 125 113.120 113.120 114.095 -0.975 19415 1242 1 3 . 1 1 125 125 GLY C C 125 174.384 174.384 173.853 0.531 19415 1243 1 3 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.928 0.175 19415 1244 1 3 . 1 1 125 125 GLY H H 125 8.574 8.574 8.529 0.045 19415 1245 1 3 . 1 1 126 126 ASP N N 126 122.488 122.488 120.216 2.272 19415 1246 1 3 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.943 -0.220 19415 1247 1 3 . 1 1 126 126 ASP C C 126 176.558 176.558 174.917 1.641 19415 1248 1 3 . 1 1 126 126 ASP CA C 126 54.324 54.324 51.995 2.329 19415 1249 1 3 . 1 1 126 126 ASP CB C 126 41.602 41.602 42.716 -1.114 19415 1250 1 3 . 1 1 126 126 ASP H H 126 8.476 8.476 8.272 0.204 19415 1251 1 3 . 1 1 127 127 ARG N N 127 122.074 122.074 119.453 2.621 19415 1252 1 3 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.072 -0.025 19415 1253 1 3 . 1 1 127 127 ARG C C 127 175.671 175.671 175.346 0.325 19415 1254 1 3 . 1 1 127 127 ARG CA C 127 55.559 55.559 56.949 -1.390 19415 1255 1 3 . 1 1 127 127 ARG CB C 127 30.862 30.862 30.384 0.478 19415 1256 1 3 . 1 1 127 127 ARG H H 127 8.697 8.697 8.456 0.241 19415 1257 1 3 . 1 1 128 128 PHE N N 128 120.179 120.179 121.442 -1.263 19415 1258 1 3 . 1 1 128 128 PHE HA H 128 5.194 5.194 5.026 0.168 19415 1259 1 3 . 1 1 128 128 PHE C C 128 171.304 171.304 173.367 -2.063 19415 1260 1 3 . 1 1 128 128 PHE CA C 128 55.427 55.427 57.147 -1.720 19415 1261 1 3 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.346 1.167 19415 1262 1 3 . 1 1 128 128 PHE H H 128 8.869 8.869 8.612 0.257 19415 1263 1 3 . 1 1 129 129 HIS N N 129 118.586 118.586 117.112 1.474 19415 1264 1 3 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.363 0.318 19415 1265 1 3 . 1 1 129 129 HIS C C 129 173.764 173.764 172.595 1.169 19415 1266 1 3 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.974 -0.164 19415 1267 1 3 . 1 1 129 129 HIS CB C 129 34.983 34.983 34.626 0.357 19415 1268 1 3 . 1 1 129 129 HIS H H 129 9.292 9.292 8.560 0.732 19415 1269 1 3 . 1 1 130 130 TYR N N 130 125.995 125.995 127.323 -1.328 19415 1270 1 3 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.246 0.473 19415 1271 1 3 . 1 1 130 130 TYR C C 130 174.625 174.625 174.630 -0.005 19415 1272 1 3 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.523 -0.341 19415 1273 1 3 . 1 1 130 130 TYR CB C 130 40.279 40.279 38.998 1.281 19415 1274 1 3 . 1 1 130 130 TYR H H 130 8.865 8.865 8.494 0.371 19415 1275 1 3 . 1 1 131 131 ILE N N 131 126.610 126.610 128.954 -2.344 19415 1276 1 3 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.264 0.059 19415 1277 1 3 . 1 1 131 131 ILE C C 131 175.516 175.516 175.273 0.243 19415 1278 1 3 . 1 1 131 131 ILE CA C 131 59.727 59.727 59.484 0.243 19415 1279 1 3 . 1 1 131 131 ILE CB C 131 41.170 41.170 37.690 3.480 19415 1280 1 3 . 1 1 131 131 ILE H H 131 8.889 8.889 8.639 0.250 19415 1281 1 3 . 1 1 132 132 ASN N N 132 126.614 126.614 127.506 -0.892 19415 1282 1 3 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.328 0.033 19415 1283 1 3 . 1 1 132 132 ASN C C 132 175.421 175.421 175.543 -0.122 19415 1284 1 3 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.473 0.460 19415 1285 1 3 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.864 -0.524 19415 1286 1 3 . 1 1 132 132 ASN H H 132 9.375 9.375 9.192 0.183 19415 1287 1 3 . 1 1 133 133 GLY N N 133 102.667 102.667 103.335 -0.668 19415 1288 1 3 . 1 1 133 133 GLY C C 133 173.969 173.969 172.995 0.974 19415 1289 1 3 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.203 0.192 19415 1290 1 3 . 1 1 133 133 GLY H H 133 7.417 7.417 7.936 -0.519 19415 1291 1 3 . 1 1 134 134 SER N N 134 117.123 117.123 114.080 3.043 19415 1292 1 3 . 1 1 134 134 SER HA H 134 4.743 4.743 4.458 0.285 19415 1293 1 3 . 1 1 134 134 SER C C 134 170.825 170.825 172.657 -1.832 19415 1294 1 3 . 1 1 134 134 SER CA C 134 57.754 57.754 57.272 0.482 19415 1295 1 3 . 1 1 134 134 SER CB C 134 66.060 66.060 65.632 0.428 19415 1296 1 3 . 1 1 134 134 SER H H 134 7.639 7.639 7.173 0.466 19415 1297 1 3 . 1 1 135 135 LEU N N 135 122.242 122.242 125.549 -3.307 19415 1298 1 3 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.976 0.238 19415 1299 1 3 . 1 1 135 135 LEU C C 135 177.735 177.735 175.636 2.099 19415 1300 1 3 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.298 -0.869 19415 1301 1 3 . 1 1 135 135 LEU CB C 135 44.685 44.685 41.987 2.698 19415 1302 1 3 . 1 1 135 135 LEU H H 135 8.236 8.236 8.359 -0.123 19415 1303 1 3 . 1 1 136 136 PHE N N 136 118.689 118.689 121.931 -3.242 19415 1304 1 3 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.034 0.956 19415 1305 1 3 . 1 1 136 136 PHE C C 136 175.971 175.971 175.027 0.944 19415 1306 1 3 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.141 0.763 19415 1307 1 3 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.574 0.755 19415 1308 1 3 . 1 1 136 136 PHE H H 136 9.221 9.221 8.962 0.259 19415 1309 1 3 . 1 1 137 137 CYS N N 137 121.328 121.328 116.942 4.386 19415 1310 1 3 . 1 1 137 137 CYS HA H 137 4.966 4.966 4.985 -0.019 19415 1311 1 3 . 1 1 137 137 CYS C C 137 175.030 175.030 174.426 0.604 19415 1312 1 3 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.507 1.046 19415 1313 1 3 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.276 -1.051 19415 1314 1 3 . 1 1 137 137 CYS H H 137 9.716 9.716 8.435 1.281 19415 1315 1 3 . 1 1 138 138 GLU N N 138 118.055 118.055 120.083 -2.028 19415 1316 1 3 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.213 -0.070 19415 1317 1 3 . 1 1 138 138 GLU C C 138 178.535 178.535 178.270 0.265 19415 1318 1 3 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.266 0.303 19415 1319 1 3 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.712 0.183 19415 1320 1 3 . 1 1 138 138 GLU H H 138 8.476 8.476 8.887 -0.411 19415 1321 1 3 . 1 1 139 139 HIS N N 139 117.190 117.190 119.797 -2.607 19415 1322 1 3 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.387 0.043 19415 1323 1 3 . 1 1 139 139 HIS C C 139 175.584 175.584 175.962 -0.378 19415 1324 1 3 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.773 -0.643 19415 1325 1 3 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.558 -1.612 19415 1326 1 3 . 1 1 139 139 HIS H H 139 8.365 8.365 7.827 0.538 19415 1327 1 3 . 1 1 140 140 ASP N N 140 118.373 118.373 117.405 0.968 19415 1328 1 3 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.503 0.453 19415 1329 1 3 . 1 1 140 140 ASP C C 140 174.258 174.258 175.503 -1.245 19415 1330 1 3 . 1 1 140 140 ASP CA C 140 54.319 54.319 52.452 1.867 19415 1331 1 3 . 1 1 140 140 ASP CB C 140 42.317 42.317 40.182 2.135 19415 1332 1 3 . 1 1 140 140 ASP H H 140 8.082 8.082 7.752 0.330 19415 1333 1 3 . 1 1 141 141 ARG N N 141 121.880 121.880 121.638 0.242 19415 1334 1 3 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.792 -0.176 19415 1335 1 3 . 1 1 141 141 ARG C C 141 173.939 173.939 174.408 -0.469 19415 1336 1 3 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.993 -1.271 19415 1337 1 3 . 1 1 141 141 ARG CB C 141 29.423 29.423 30.285 -0.862 19415 1338 1 3 . 1 1 141 141 ARG H H 141 7.120 7.120 7.124 -0.004 19415 1339 1 3 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.554 -0.304 19415 1340 1 3 . 1 1 142 142 PRO C C 142 176.688 176.688 175.475 1.213 19415 1341 1 3 . 1 1 142 142 PRO CA C 142 62.699 62.699 61.287 1.412 19415 1342 1 3 . 1 1 142 142 PRO CB C 142 31.249 31.249 30.670 0.579 19415 1343 1 3 . 1 1 143 143 THR N N 143 115.472 115.472 116.760 -1.288 19415 1344 1 3 . 1 1 143 143 THR HA H 143 3.924 3.924 4.439 -0.515 19415 1345 1 3 . 1 1 143 143 THR C C 143 174.890 174.890 174.251 0.639 19415 1346 1 3 . 1 1 143 143 THR CA C 143 63.099 63.099 59.933 3.166 19415 1347 1 3 . 1 1 143 143 THR CB C 143 69.197 69.197 70.853 -1.656 19415 1348 1 3 . 1 1 143 143 THR H H 143 8.015 8.015 7.499 0.516 19415 1349 1 3 . 1 1 144 144 ALA N N 144 124.502 124.502 124.289 0.213 19415 1350 1 3 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.059 0.141 19415 1351 1 3 . 1 1 144 144 ALA C C 144 177.656 177.656 177.094 0.562 19415 1352 1 3 . 1 1 144 144 ALA CA C 144 52.807 52.807 54.324 -1.517 19415 1353 1 3 . 1 1 144 144 ALA CB C 144 19.005 19.005 17.415 1.590 19415 1354 1 3 . 1 1 144 144 ALA H H 144 8.130 8.130 8.772 -0.642 19415 1355 1 3 . 1 1 145 145 LEU N N 145 119.506 119.506 122.019 -2.513 19415 1356 1 3 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.507 -0.231 19415 1357 1 3 . 1 1 145 145 LEU C C 145 177.574 177.574 176.169 1.405 19415 1358 1 3 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.752 0.315 19415 1359 1 3 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.525 -0.294 19415 1360 1 3 . 1 1 145 145 LEU H H 145 7.897 7.897 8.043 -0.146 19415 1361 1 3 . 1 1 146 146 ILE N N 146 120.683 120.683 116.645 4.038 19415 1362 1 3 . 1 1 146 146 ILE HA H 146 4.055 4.055 3.667 0.388 19415 1363 1 3 . 1 1 146 146 ILE C C 146 176.259 176.259 174.867 1.392 19415 1364 1 3 . 1 1 146 146 ILE CA C 146 61.486 61.486 61.912 -0.426 19415 1365 1 3 . 1 1 146 146 ILE CB C 146 38.629 38.629 35.618 3.011 19415 1366 1 3 . 1 1 146 146 ILE H H 146 7.842 7.842 7.943 -0.101 19415 1367 1 3 . 1 1 405 405 ALA N N 405 133.214 133.214 129.413 3.801 19415 1368 1 3 . 1 1 405 405 ALA HA H 405 4.471 4.471 3.814 0.657 19415 1369 1 3 . 1 1 405 405 ALA CA C 405 50.818 50.818 49.821 0.997 19415 1370 1 3 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.712 -1.665 19415 1371 1 3 . 1 1 405 405 ALA H H 405 9.651 9.651 8.796 0.855 19415 1372 1 3 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.652 -0.065 19415 1373 1 3 . 1 1 406 406 PRO C C 406 174.175 174.175 176.232 -2.057 19415 1374 1 3 . 1 1 406 406 PRO CA C 406 61.942 61.942 62.629 -0.687 19415 1375 1 3 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.108 0.881 19415 1376 1 3 . 1 1 407 407 PHE N N 407 113.077 113.077 118.110 -5.033 19415 1377 1 3 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.695 -0.191 19415 1378 1 3 . 1 1 407 407 PHE C C 407 174.954 174.954 173.788 1.166 19415 1379 1 3 . 1 1 407 407 PHE CA C 407 57.263 57.263 56.203 1.060 19415 1380 1 3 . 1 1 407 407 PHE CB C 407 38.318 38.318 40.200 -1.882 19415 1381 1 3 . 1 1 407 407 PHE H H 407 7.899 7.899 8.438 -0.539 19415 1382 1 3 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.645 0.108 19415 1383 1 3 . 1 1 408 408 PRO C C 408 175.865 175.865 175.358 0.507 19415 1384 1 3 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.266 0.660 19415 1385 1 3 . 1 1 408 408 PRO CB C 408 33.457 33.457 32.178 1.279 19415 1386 1 3 . 1 1 409 409 GLU N N 409 119.349 119.349 124.432 -5.083 19415 1387 1 3 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.590 0.133 19415 1388 1 3 . 1 1 409 409 GLU C C 409 174.291 174.291 175.495 -1.204 19415 1389 1 3 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.250 -0.070 19415 1390 1 3 . 1 1 409 409 GLU CB C 409 34.429 34.429 32.887 1.542 19415 1391 1 3 . 1 1 409 409 GLU H H 409 8.813 8.813 8.416 0.397 19415 1392 1 3 . 1 1 410 410 ALA N N 410 124.017 124.017 121.183 2.834 19415 1393 1 3 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.794 -0.463 19415 1394 1 3 . 1 1 410 410 ALA C C 410 178.181 178.181 176.749 1.432 19415 1395 1 3 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.880 -0.639 19415 1396 1 3 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.693 -0.591 19415 1397 1 3 . 1 1 410 410 ALA H H 410 8.562 8.562 8.464 0.098 19415 1398 1 3 . 1 1 411 411 ALA N N 411 124.837 124.837 123.666 1.171 19415 1399 1 3 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.578 -0.649 19415 1400 1 3 . 1 1 411 411 ALA C C 411 178.042 178.042 176.115 1.927 19415 1401 1 3 . 1 1 411 411 ALA CA C 411 54.247 54.247 51.543 2.704 19415 1402 1 3 . 1 1 411 411 ALA CB C 411 18.730 18.730 20.563 -1.833 19415 1403 1 3 . 1 1 411 411 ALA H H 411 8.475 8.475 8.421 0.054 19415 1404 1 3 . 1 1 412 412 LEU N N 412 119.893 119.893 122.329 -2.436 19415 1405 1 3 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.604 0.104 19415 1406 1 3 . 1 1 412 412 LEU C C 412 174.281 174.281 175.330 -1.049 19415 1407 1 3 . 1 1 412 412 LEU CA C 412 52.130 52.130 52.809 -0.679 19415 1408 1 3 . 1 1 412 412 LEU CB C 412 42.645 42.645 42.241 0.404 19415 1409 1 3 . 1 1 412 412 LEU H H 412 8.075 8.075 8.194 -0.119 19415 1410 1 3 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.696 -0.243 19415 1411 1 3 . 1 1 413 413 PRO C C 413 177.094 177.094 176.287 0.807 19415 1412 1 3 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.404 0.597 19415 1413 1 3 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.567 -0.388 19415 1414 1 3 . 1 1 414 414 THR N N 414 114.256 114.256 116.610 -2.354 19415 1415 1 3 . 1 1 414 414 THR HA H 414 4.294 4.294 4.473 -0.179 19415 1416 1 3 . 1 1 414 414 THR C C 414 174.480 174.480 174.932 -0.452 19415 1417 1 3 . 1 1 414 414 THR CA C 414 61.757 61.757 63.048 -1.291 19415 1418 1 3 . 1 1 414 414 THR CB C 414 69.712 69.712 69.640 0.072 19415 1419 1 3 . 1 1 414 414 THR H H 414 8.177 8.177 8.264 -0.087 19415 1420 1 3 . 1 1 415 415 SER N N 415 117.918 117.918 118.528 -0.610 19415 1421 1 3 . 1 1 415 415 SER HA H 415 4.424 4.424 4.098 0.326 19415 1422 1 3 . 1 1 415 415 SER C C 415 173.689 173.689 174.127 -0.438 19415 1423 1 3 . 1 1 415 415 SER CA C 415 58.072 58.072 61.469 -3.397 19415 1424 1 3 . 1 1 415 415 SER CB C 415 63.852 63.852 62.412 1.440 19415 1425 1 3 . 1 1 415 415 SER H H 415 8.193 8.193 8.632 -0.439 19415 1426 1 3 . 1 1 416 416 HIS N N 416 121.537 121.537 121.967 -0.430 19415 1427 1 3 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.935 0.007 19415 1428 1 3 . 1 1 416 416 HIS C C 416 172.547 172.547 173.401 -0.854 19415 1429 1 3 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.086 -0.383 19415 1430 1 3 . 1 1 416 416 HIS CB C 416 29.462 29.462 32.032 -2.571 19415 1431 1 3 . 1 1 416 416 HIS H H 416 8.373 8.373 8.235 0.138 19415 1432 1 3 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.643 -0.222 19415 1433 1 3 . 1 1 417 417 PRO C C 417 176.060 176.060 176.320 -0.260 19415 1434 1 3 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.724 0.724 19415 1435 1 3 . 1 1 417 417 PRO CB C 417 32.159 32.159 29.912 2.247 19415 1436 1 3 . 1 1 902 902 GLY N N 902 108.524 108.524 109.360 -0.836 19415 1437 1 3 . 1 1 902 902 GLY CA C 902 45.359 45.359 45.046 0.313 19415 1438 1 3 . 1 1 902 902 GLY H H 902 8.196 8.196 8.064 0.132 19415 1439 1 3 . 1 1 903 903 SER N N 903 115.821 115.821 121.429 -5.608 19415 1440 1 3 . 1 1 903 903 SER HA H 903 4.403 4.403 4.086 0.317 19415 1441 1 3 . 1 1 903 903 SER CA C 903 58.602 58.602 60.389 -1.787 19415 1442 1 3 . 1 1 903 903 SER CB C 903 63.762 63.762 63.266 0.496 19415 1443 1 3 . 1 1 903 903 SER H H 903 8.354 8.354 8.578 -0.224 19415 1444 1 3 . 1 1 904 904 GLY N N 904 110.847 110.847 107.478 3.369 19415 1445 1 3 . 1 1 904 904 GLY C C 904 174.889 174.889 173.167 1.722 19415 1446 1 3 . 1 1 904 904 GLY CA C 904 45.594 45.594 44.199 1.395 19415 1447 1 3 . 1 1 904 904 GLY H H 904 8.558 8.558 7.857 0.701 19415 1448 1 3 . 1 1 905 905 GLY N N 905 108.922 108.922 107.330 1.592 19415 1449 1 3 . 1 1 905 905 GLY C C 905 174.452 174.452 175.303 -0.851 19415 1450 1 3 . 1 1 905 905 GLY CA C 905 45.549 45.549 45.474 0.075 19415 1451 1 3 . 1 1 905 905 GLY H H 905 8.307 8.307 8.313 -0.006 19415 1452 1 3 . 1 1 906 906 SER N N 906 115.224 115.224 122.267 -7.043 19415 1453 1 3 . 1 1 906 906 SER HA H 906 4.552 4.552 4.208 0.344 19415 1454 1 3 . 1 1 906 906 SER C C 906 175.108 175.108 175.703 -0.595 19415 1455 1 3 . 1 1 906 906 SER CA C 906 58.647 58.647 59.489 -0.842 19415 1456 1 3 . 1 1 906 906 SER CB C 906 64.091 64.091 63.556 0.536 19415 1457 1 3 . 1 1 906 906 SER H H 906 8.362 8.362 8.162 0.200 19415 1458 1 3 . 1 1 907 907 GLY N N 907 110.875 110.875 110.302 0.573 19415 1459 1 3 . 1 1 907 907 GLY C C 907 173.335 173.335 172.875 0.460 19415 1460 1 3 . 1 1 907 907 GLY CA C 907 45.010 45.010 45.419 -0.409 19415 1461 1 3 . 1 1 907 907 GLY H H 907 8.437 8.437 8.943 -0.506 19415 1462 1 4 . 1 1 78 78 ILE N N 78 124.415 124.415 123.820 0.595 19415 1463 1 4 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.157 -0.115 19415 1464 1 4 . 1 1 78 78 ILE C C 78 175.260 175.260 176.271 -1.011 19415 1465 1 4 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.681 -0.954 19415 1466 1 4 . 1 1 78 78 ILE CB C 78 38.922 38.922 38.328 0.594 19415 1467 1 4 . 1 1 78 78 ILE H H 78 8.025 8.025 8.628 -0.603 19415 1468 1 4 . 1 1 79 79 ARG N N 79 125.999 125.999 125.868 0.131 19415 1469 1 4 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.370 -0.155 19415 1470 1 4 . 1 1 79 79 ARG C C 79 175.494 175.494 174.954 0.540 19415 1471 1 4 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.782 0.074 19415 1472 1 4 . 1 1 79 79 ARG CB C 79 30.774 30.774 31.481 -0.707 19415 1473 1 4 . 1 1 79 79 ARG H H 79 8.249 8.249 8.315 -0.066 19415 1474 1 4 . 1 1 80 80 LEU N N 80 124.427 124.427 120.199 4.228 19415 1475 1 4 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.350 -0.058 19415 1476 1 4 . 1 1 80 80 LEU C C 80 176.785 176.785 176.605 0.180 19415 1477 1 4 . 1 1 80 80 LEU CA C 80 54.820 54.820 54.228 0.591 19415 1478 1 4 . 1 1 80 80 LEU CB C 80 42.520 42.520 41.906 0.614 19415 1479 1 4 . 1 1 80 80 LEU H H 80 8.190 8.190 7.479 0.711 19415 1480 1 4 . 1 1 81 81 PHE N N 81 120.462 120.462 123.427 -2.965 19415 1481 1 4 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.354 0.270 19415 1482 1 4 . 1 1 81 81 PHE C C 81 176.212 176.212 176.414 -0.202 19415 1483 1 4 . 1 1 81 81 PHE CA C 81 57.570 57.570 58.273 -0.703 19415 1484 1 4 . 1 1 81 81 PHE CB C 81 39.802 39.802 36.981 2.821 19415 1485 1 4 . 1 1 81 81 PHE H H 81 8.244 8.244 7.934 0.310 19415 1486 1 4 . 1 1 82 82 GLY N N 82 110.003 110.003 115.134 -5.131 19415 1487 1 4 . 1 1 82 82 GLY C C 82 173.730 173.730 173.671 0.059 19415 1488 1 4 . 1 1 82 82 GLY CA C 82 45.415 45.415 45.097 0.318 19415 1489 1 4 . 1 1 82 82 GLY H H 82 8.351 8.351 8.482 -0.131 19415 1490 1 4 . 1 1 83 83 ASN N N 83 118.840 118.840 119.349 -0.509 19415 1491 1 4 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.789 0.005 19415 1492 1 4 . 1 1 83 83 ASN C C 83 175.312 175.312 174.674 0.638 19415 1493 1 4 . 1 1 83 83 ASN CA C 83 52.996 52.996 53.056 -0.060 19415 1494 1 4 . 1 1 83 83 ASN CB C 83 39.137 39.137 39.151 -0.014 19415 1495 1 4 . 1 1 83 83 ASN H H 83 8.325 8.325 8.114 0.211 19415 1496 1 4 . 1 1 84 84 SER N N 84 116.555 116.555 114.854 1.701 19415 1497 1 4 . 1 1 84 84 SER CA C 84 58.823 58.823 60.623 -1.800 19415 1498 1 4 . 1 1 84 84 SER CB C 84 63.887 63.887 62.287 1.600 19415 1499 1 4 . 1 1 84 84 SER H H 84 8.463 8.463 8.802 -0.339 19415 1500 1 4 . 1 1 85 85 GLY N N 85 109.826 109.826 111.499 -1.673 19415 1501 1 4 . 1 1 85 85 GLY C C 85 172.709 172.709 172.590 0.119 19415 1502 1 4 . 1 1 85 85 GLY CA C 85 45.153 45.153 44.656 0.497 19415 1503 1 4 . 1 1 85 85 GLY H H 85 8.341 8.341 8.158 0.183 19415 1504 1 4 . 1 1 86 86 ALA N N 86 122.100 122.100 125.023 -2.923 19415 1505 1 4 . 1 1 86 86 ALA HA H 86 4.447 4.447 5.076 -0.629 19415 1506 1 4 . 1 1 86 86 ALA C C 86 175.383 175.383 175.287 0.096 19415 1507 1 4 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.339 0.184 19415 1508 1 4 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.968 -1.256 19415 1509 1 4 . 1 1 86 86 ALA H H 86 7.703 7.703 7.806 -0.103 19415 1510 1 4 . 1 1 87 87 CYS N N 87 121.922 121.922 118.704 3.218 19415 1511 1 4 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.810 -0.613 19415 1512 1 4 . 1 1 87 87 CYS C C 87 178.454 178.454 175.504 2.950 19415 1513 1 4 . 1 1 87 87 CYS CA C 87 58.515 58.515 56.153 2.362 19415 1514 1 4 . 1 1 87 87 CYS CB C 87 31.600 31.600 30.213 1.387 19415 1515 1 4 . 1 1 87 87 CYS H H 87 7.968 7.968 8.177 -0.209 19415 1516 1 4 . 1 1 88 88 SER N N 88 126.804 126.804 119.966 6.838 19415 1517 1 4 . 1 1 88 88 SER HA H 88 4.174 4.174 4.216 -0.042 19415 1518 1 4 . 1 1 88 88 SER C C 88 173.647 173.647 175.203 -1.556 19415 1519 1 4 . 1 1 88 88 SER CA C 88 62.158 62.158 60.581 1.577 19415 1520 1 4 . 1 1 88 88 SER CB C 88 63.401 63.401 62.822 0.579 19415 1521 1 4 . 1 1 88 88 SER H H 88 9.202 9.202 8.112 1.090 19415 1522 1 4 . 1 1 89 89 ALA N N 89 123.763 123.763 123.124 0.639 19415 1523 1 4 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.507 0.329 19415 1524 1 4 . 1 1 89 89 ALA C C 89 178.007 178.007 178.806 -0.799 19415 1525 1 4 . 1 1 89 89 ALA CA C 89 53.933 53.933 54.346 -0.413 19415 1526 1 4 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.475 1.770 19415 1527 1 4 . 1 1 89 89 ALA H H 89 8.964 8.964 7.808 1.156 19415 1528 1 4 . 1 1 90 90 CYS N N 90 115.099 115.099 113.527 1.572 19415 1529 1 4 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.907 0.125 19415 1530 1 4 . 1 1 90 90 CYS C C 90 177.164 177.164 176.163 1.001 19415 1531 1 4 . 1 1 90 90 CYS CA C 90 58.754 58.754 58.321 0.433 19415 1532 1 4 . 1 1 90 90 CYS CB C 90 31.688 31.688 29.800 1.888 19415 1533 1 4 . 1 1 90 90 CYS H H 90 8.078 8.078 7.855 0.223 19415 1534 1 4 . 1 1 91 91 GLY N N 91 112.869 112.869 110.180 2.689 19415 1535 1 4 . 1 1 91 91 GLY C C 91 173.725 173.725 173.230 0.495 19415 1536 1 4 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.102 1.201 19415 1537 1 4 . 1 1 91 91 GLY H H 91 7.996 7.996 8.221 -0.225 19415 1538 1 4 . 1 1 92 92 GLN N N 92 119.848 119.848 118.902 0.946 19415 1539 1 4 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.433 0.142 19415 1540 1 4 . 1 1 92 92 GLN C C 92 176.015 176.015 175.627 0.388 19415 1541 1 4 . 1 1 92 92 GLN CA C 92 54.954 54.954 54.013 0.941 19415 1542 1 4 . 1 1 92 92 GLN CB C 92 30.026 30.026 30.601 -0.575 19415 1543 1 4 . 1 1 92 92 GLN H H 92 8.341 8.341 7.586 0.755 19415 1544 1 4 . 1 1 93 93 SER N N 93 116.734 116.734 116.819 -0.085 19415 1545 1 4 . 1 1 93 93 SER C C 93 173.776 173.776 174.890 -1.114 19415 1546 1 4 . 1 1 93 93 SER CA C 93 59.491 59.491 59.482 0.009 19415 1547 1 4 . 1 1 93 93 SER CB C 93 63.707 63.707 64.095 -0.388 19415 1548 1 4 . 1 1 93 93 SER H H 93 8.656 8.656 8.545 0.111 19415 1549 1 4 . 1 1 94 94 ILE N N 94 126.045 126.045 123.208 2.837 19415 1550 1 4 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.681 -0.339 19415 1551 1 4 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.672 -0.147 19415 1552 1 4 . 1 1 94 94 ILE CB C 94 39.907 39.907 38.621 1.286 19415 1553 1 4 . 1 1 94 94 ILE H H 94 8.281 8.281 8.335 -0.054 19415 1554 1 4 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.617 -0.144 19415 1555 1 4 . 1 1 95 95 PRO C C 95 176.605 176.605 176.972 -0.367 19415 1556 1 4 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.525 0.327 19415 1557 1 4 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.578 0.213 19415 1558 1 4 . 1 1 96 96 ALA N N 96 122.591 122.591 126.251 -3.660 19415 1559 1 4 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.196 -0.196 19415 1560 1 4 . 1 1 96 96 ALA C C 96 177.763 177.763 177.632 0.131 19415 1561 1 4 . 1 1 96 96 ALA CA C 96 54.605 54.605 54.085 0.520 19415 1562 1 4 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.363 0.743 19415 1563 1 4 . 1 1 96 96 ALA H H 96 8.400 8.400 8.583 -0.183 19415 1564 1 4 . 1 1 97 97 SER N N 97 107.288 107.288 112.798 -5.510 19415 1565 1 4 . 1 1 97 97 SER HA H 97 4.270 4.270 4.524 -0.254 19415 1566 1 4 . 1 1 97 97 SER C C 97 174.625 174.625 174.295 0.330 19415 1567 1 4 . 1 1 97 97 SER CA C 97 58.532 58.532 58.636 -0.104 19415 1568 1 4 . 1 1 97 97 SER CB C 97 63.538 63.538 63.580 -0.042 19415 1569 1 4 . 1 1 97 97 SER H H 97 7.796 7.796 8.342 -0.546 19415 1570 1 4 . 1 1 98 98 GLU N N 98 124.231 124.231 121.892 2.339 19415 1571 1 4 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.622 -0.365 19415 1572 1 4 . 1 1 98 98 GLU C C 98 175.476 175.476 174.797 0.679 19415 1573 1 4 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.251 1.270 19415 1574 1 4 . 1 1 98 98 GLU CB C 98 31.081 31.081 32.925 -1.844 19415 1575 1 4 . 1 1 98 98 GLU H H 98 7.649 7.649 7.557 0.092 19415 1576 1 4 . 1 1 99 99 LEU N N 99 122.696 122.696 120.222 2.474 19415 1577 1 4 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.877 -0.372 19415 1578 1 4 . 1 1 99 99 LEU C C 99 176.253 176.253 175.427 0.826 19415 1579 1 4 . 1 1 99 99 LEU CA C 99 54.635 54.635 53.710 0.925 19415 1580 1 4 . 1 1 99 99 LEU CB C 99 42.967 42.967 43.994 -1.027 19415 1581 1 4 . 1 1 99 99 LEU H H 99 8.250 8.250 8.320 -0.070 19415 1582 1 4 . 1 1 100 100 VAL N N 100 112.933 112.933 116.635 -3.702 19415 1583 1 4 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.740 0.163 19415 1584 1 4 . 1 1 100 100 VAL C C 100 175.544 175.544 175.591 -0.047 19415 1585 1 4 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.739 -0.992 19415 1586 1 4 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.393 1.505 19415 1587 1 4 . 1 1 100 100 VAL H H 100 8.934 8.934 8.616 0.318 19415 1588 1 4 . 1 1 101 101 MET N N 101 116.964 116.964 123.706 -6.742 19415 1589 1 4 . 1 1 101 101 MET HA H 101 4.676 4.676 4.386 0.290 19415 1590 1 4 . 1 1 101 101 MET C C 101 175.197 175.197 175.196 0.001 19415 1591 1 4 . 1 1 101 101 MET CA C 101 52.397 52.397 53.897 -1.500 19415 1592 1 4 . 1 1 101 101 MET CB C 101 34.490 34.490 31.191 3.299 19415 1593 1 4 . 1 1 101 101 MET H H 101 8.299 8.299 8.866 -0.567 19415 1594 1 4 . 1 1 102 102 ARG N N 102 122.278 122.278 126.779 -4.501 19415 1595 1 4 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.865 0.289 19415 1596 1 4 . 1 1 102 102 ARG C C 102 175.008 175.008 174.706 0.302 19415 1597 1 4 . 1 1 102 102 ARG CA C 102 54.850 54.850 55.672 -0.822 19415 1598 1 4 . 1 1 102 102 ARG CB C 102 32.335 32.335 31.361 0.974 19415 1599 1 4 . 1 1 102 102 ARG H H 102 8.112 8.112 8.465 -0.353 19415 1600 1 4 . 1 1 103 103 ALA N N 103 123.373 123.373 130.755 -7.382 19415 1601 1 4 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.501 0.098 19415 1602 1 4 . 1 1 103 103 ALA C C 103 176.137 176.137 177.718 -1.581 19415 1603 1 4 . 1 1 103 103 ALA CA C 103 52.049 52.049 52.575 -0.526 19415 1604 1 4 . 1 1 103 103 ALA CB C 103 21.835 21.835 20.086 1.749 19415 1605 1 4 . 1 1 103 103 ALA H H 103 8.129 8.129 8.301 -0.172 19415 1606 1 4 . 1 1 104 104 GLN N N 104 120.352 120.352 118.891 1.461 19415 1607 1 4 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.693 -0.891 19415 1608 1 4 . 1 1 104 104 GLN C C 104 175.032 175.032 176.231 -1.199 19415 1609 1 4 . 1 1 104 104 GLN CA C 104 56.385 56.385 55.023 1.362 19415 1610 1 4 . 1 1 104 104 GLN CB C 104 25.801 25.801 29.157 -3.356 19415 1611 1 4 . 1 1 104 104 GLN H H 104 9.312 9.312 8.755 0.557 19415 1612 1 4 . 1 1 105 105 GLY N N 105 105.580 105.580 108.138 -2.558 19415 1613 1 4 . 1 1 105 105 GLY C C 105 173.414 173.414 173.901 -0.487 19415 1614 1 4 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.368 0.107 19415 1615 1 4 . 1 1 105 105 GLY H H 105 8.493 8.493 8.601 -0.108 19415 1616 1 4 . 1 1 106 106 ASN N N 106 120.347 120.347 119.530 0.817 19415 1617 1 4 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.730 0.090 19415 1618 1 4 . 1 1 106 106 ASN C C 106 174.060 174.060 173.665 0.395 19415 1619 1 4 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.199 -0.422 19415 1620 1 4 . 1 1 106 106 ASN CB C 106 41.604 41.604 39.457 2.147 19415 1621 1 4 . 1 1 106 106 ASN H H 106 8.085 8.085 7.631 0.454 19415 1622 1 4 . 1 1 107 107 VAL N N 107 118.992 118.992 114.375 4.617 19415 1623 1 4 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.976 -0.202 19415 1624 1 4 . 1 1 107 107 VAL C C 107 173.066 173.066 173.786 -0.720 19415 1625 1 4 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.410 0.166 19415 1626 1 4 . 1 1 107 107 VAL CB C 107 34.475 34.475 33.955 0.520 19415 1627 1 4 . 1 1 107 107 VAL H H 107 8.207 8.207 8.113 0.094 19415 1628 1 4 . 1 1 108 108 TYR N N 108 121.397 121.397 120.619 0.778 19415 1629 1 4 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.675 1.255 19415 1630 1 4 . 1 1 108 108 TYR C C 108 177.709 177.709 174.654 3.055 19415 1631 1 4 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.729 -0.727 19415 1632 1 4 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.559 0.379 19415 1633 1 4 . 1 1 108 108 TYR H H 108 8.681 8.681 8.253 0.428 19415 1634 1 4 . 1 1 109 109 HIS N N 109 120.399 120.399 118.893 1.506 19415 1635 1 4 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.753 0.004 19415 1636 1 4 . 1 1 109 109 HIS C C 109 178.297 178.297 176.221 2.076 19415 1637 1 4 . 1 1 109 109 HIS CA C 109 59.269 59.269 55.964 3.305 19415 1638 1 4 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.548 -0.109 19415 1639 1 4 . 1 1 109 109 HIS H H 109 8.681 8.681 8.756 -0.075 19415 1640 1 4 . 1 1 110 110 LEU N N 110 124.629 124.629 121.002 3.627 19415 1641 1 4 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.005 -0.123 19415 1642 1 4 . 1 1 110 110 LEU C C 110 180.956 180.956 178.325 2.631 19415 1643 1 4 . 1 1 110 110 LEU CA C 110 60.072 60.072 58.348 1.724 19415 1644 1 4 . 1 1 110 110 LEU CB C 110 40.482 40.482 41.908 -1.426 19415 1645 1 4 . 1 1 110 110 LEU H H 110 8.924 8.924 8.789 0.135 19415 1646 1 4 . 1 1 111 111 LYS N N 111 112.542 112.542 116.851 -4.309 19415 1647 1 4 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.231 -0.234 19415 1648 1 4 . 1 1 111 111 LYS C C 111 176.711 176.711 176.824 -0.113 19415 1649 1 4 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.518 -0.581 19415 1650 1 4 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.701 0.008 19415 1651 1 4 . 1 1 111 111 LYS H H 111 8.586 8.586 8.531 0.055 19415 1652 1 4 . 1 1 112 112 CYS N N 112 117.897 117.897 116.611 1.286 19415 1653 1 4 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.727 -0.335 19415 1654 1 4 . 1 1 112 112 CYS C C 112 173.923 173.923 175.489 -1.566 19415 1655 1 4 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.885 1.370 19415 1656 1 4 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.136 5.298 19415 1657 1 4 . 1 1 112 112 CYS H H 112 7.439 7.439 8.040 -0.601 19415 1658 1 4 . 1 1 113 113 PHE N N 113 126.150 126.150 125.120 1.030 19415 1659 1 4 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.436 -0.355 19415 1660 1 4 . 1 1 113 113 PHE C C 113 172.777 172.777 173.883 -1.106 19415 1661 1 4 . 1 1 113 113 PHE CA C 113 57.131 57.131 55.828 1.303 19415 1662 1 4 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.655 -0.846 19415 1663 1 4 . 1 1 113 113 PHE H H 113 7.467 7.467 7.738 -0.271 19415 1664 1 4 . 1 1 114 114 THR N N 114 112.302 112.302 115.877 -3.575 19415 1665 1 4 . 1 1 114 114 THR HA H 114 4.577 4.577 4.739 -0.162 19415 1666 1 4 . 1 1 114 114 THR C C 114 172.592 172.592 173.215 -0.623 19415 1667 1 4 . 1 1 114 114 THR CA C 114 57.922 57.922 59.471 -1.549 19415 1668 1 4 . 1 1 114 114 THR CB C 114 72.187 72.187 71.863 0.324 19415 1669 1 4 . 1 1 114 114 THR H H 114 6.895 6.895 7.571 -0.676 19415 1670 1 4 . 1 1 115 115 CYS N N 115 121.388 121.388 121.576 -0.188 19415 1671 1 4 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.469 -0.679 19415 1672 1 4 . 1 1 115 115 CYS C C 115 177.309 177.309 176.382 0.927 19415 1673 1 4 . 1 1 115 115 CYS CA C 115 59.284 59.284 57.842 1.442 19415 1674 1 4 . 1 1 115 115 CYS CB C 115 31.621 31.621 29.902 1.719 19415 1675 1 4 . 1 1 115 115 CYS H H 115 7.981 7.981 8.584 -0.603 19415 1676 1 4 . 1 1 116 116 SER N N 116 127.333 127.333 121.838 5.495 19415 1677 1 4 . 1 1 116 116 SER HA H 116 4.066 4.066 4.564 -0.498 19415 1678 1 4 . 1 1 116 116 SER C C 116 174.522 174.522 175.368 -0.846 19415 1679 1 4 . 1 1 116 116 SER CA C 116 61.507 61.507 61.057 0.450 19415 1680 1 4 . 1 1 116 116 SER CB C 116 63.619 63.619 63.475 0.144 19415 1681 1 4 . 1 1 116 116 SER H H 116 9.064 9.064 8.976 0.088 19415 1682 1 4 . 1 1 117 117 THR N N 117 121.020 121.020 117.757 3.263 19415 1683 1 4 . 1 1 117 117 THR HA H 117 4.384 4.384 4.441 -0.057 19415 1684 1 4 . 1 1 117 117 THR C C 117 174.713 174.713 176.060 -1.347 19415 1685 1 4 . 1 1 117 117 THR CA C 117 65.378 65.378 64.866 0.512 19415 1686 1 4 . 1 1 117 117 THR CB C 117 69.656 69.656 69.918 -0.262 19415 1687 1 4 . 1 1 117 117 THR H H 117 8.939 8.939 8.006 0.933 19415 1688 1 4 . 1 1 118 118 CYS N N 118 120.215 120.215 117.082 3.133 19415 1689 1 4 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.873 -0.525 19415 1690 1 4 . 1 1 118 118 CYS C C 118 176.041 176.041 174.053 1.988 19415 1691 1 4 . 1 1 118 118 CYS CA C 118 59.487 59.487 58.065 1.422 19415 1692 1 4 . 1 1 118 118 CYS CB C 118 29.824 29.824 28.095 1.729 19415 1693 1 4 . 1 1 118 118 CYS H H 118 8.180 8.180 8.041 0.139 19415 1694 1 4 . 1 1 119 119 ARG N N 119 114.664 114.664 119.791 -5.127 19415 1695 1 4 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.202 -0.091 19415 1696 1 4 . 1 1 119 119 ARG C C 119 174.910 174.910 174.282 0.628 19415 1697 1 4 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.332 1.241 19415 1698 1 4 . 1 1 119 119 ARG CB C 119 26.358 26.358 28.125 -1.767 19415 1699 1 4 . 1 1 119 119 ARG H H 119 7.545 7.545 7.791 -0.246 19415 1700 1 4 . 1 1 120 120 ASN N N 120 118.962 118.962 117.286 1.676 19415 1701 1 4 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.594 0.158 19415 1702 1 4 . 1 1 120 120 ASN C C 120 175.950 175.950 175.222 0.728 19415 1703 1 4 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.099 0.405 19415 1704 1 4 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.192 0.106 19415 1705 1 4 . 1 1 120 120 ASN H H 120 8.232 8.232 8.281 -0.049 19415 1706 1 4 . 1 1 121 121 ARG N N 121 122.104 122.104 128.361 -6.257 19415 1707 1 4 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.331 -0.346 19415 1708 1 4 . 1 1 121 121 ARG C C 121 175.638 175.638 175.873 -0.235 19415 1709 1 4 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.071 1.113 19415 1710 1 4 . 1 1 121 121 ARG CB C 121 30.567 30.567 29.862 0.705 19415 1711 1 4 . 1 1 121 121 ARG H H 121 8.603 8.603 8.453 0.150 19415 1712 1 4 . 1 1 122 122 LEU N N 122 127.225 127.225 127.817 -0.592 19415 1713 1 4 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.177 0.352 19415 1714 1 4 . 1 1 122 122 LEU C C 122 175.345 175.345 175.758 -0.413 19415 1715 1 4 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.229 -1.402 19415 1716 1 4 . 1 1 122 122 LEU CB C 122 41.572 41.572 41.668 -0.096 19415 1717 1 4 . 1 1 122 122 LEU H H 122 8.094 8.094 7.571 0.523 19415 1718 1 4 . 1 1 123 123 VAL N N 123 121.030 121.030 121.123 -0.093 19415 1719 1 4 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.427 0.048 19415 1720 1 4 . 1 1 123 123 VAL C C 123 173.190 173.190 173.673 -0.483 19415 1721 1 4 . 1 1 123 123 VAL CA C 123 59.031 59.031 57.997 1.034 19415 1722 1 4 . 1 1 123 123 VAL CB C 123 31.454 31.454 36.434 -4.980 19415 1723 1 4 . 1 1 123 123 VAL H H 123 8.416 8.416 8.184 0.232 19415 1724 1 4 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.200 -0.560 19415 1725 1 4 . 1 1 124 124 PRO C C 124 177.425 177.425 177.383 0.042 19415 1726 1 4 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.534 0.498 19415 1727 1 4 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.000 1.235 19415 1728 1 4 . 1 1 125 125 GLY N N 125 113.120 113.120 114.338 -1.218 19415 1729 1 4 . 1 1 125 125 GLY C C 125 174.384 174.384 174.026 0.358 19415 1730 1 4 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.834 0.269 19415 1731 1 4 . 1 1 125 125 GLY H H 125 8.574 8.574 8.450 0.124 19415 1732 1 4 . 1 1 126 126 ASP N N 126 122.488 122.488 121.455 1.033 19415 1733 1 4 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.880 -0.157 19415 1734 1 4 . 1 1 126 126 ASP C C 126 176.558 176.558 174.283 2.275 19415 1735 1 4 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.582 1.742 19415 1736 1 4 . 1 1 126 126 ASP CB C 126 41.602 41.602 42.297 -0.695 19415 1737 1 4 . 1 1 126 126 ASP H H 126 8.476 8.476 8.299 0.177 19415 1738 1 4 . 1 1 127 127 ARG N N 127 122.074 122.074 117.064 5.010 19415 1739 1 4 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.164 -0.117 19415 1740 1 4 . 1 1 127 127 ARG C C 127 175.671 175.671 174.157 1.514 19415 1741 1 4 . 1 1 127 127 ARG CA C 127 55.559 55.559 54.456 1.103 19415 1742 1 4 . 1 1 127 127 ARG CB C 127 30.862 30.862 33.455 -2.593 19415 1743 1 4 . 1 1 127 127 ARG H H 127 8.697 8.697 8.169 0.528 19415 1744 1 4 . 1 1 128 128 PHE N N 128 120.179 120.179 118.245 1.934 19415 1745 1 4 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.776 0.418 19415 1746 1 4 . 1 1 128 128 PHE C C 128 171.304 171.304 173.038 -1.734 19415 1747 1 4 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.938 -1.511 19415 1748 1 4 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.073 1.440 19415 1749 1 4 . 1 1 128 128 PHE H H 128 8.869 8.869 8.559 0.310 19415 1750 1 4 . 1 1 129 129 HIS N N 129 118.586 118.586 122.108 -3.522 19415 1751 1 4 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.553 0.128 19415 1752 1 4 . 1 1 129 129 HIS C C 129 173.764 173.764 172.671 1.093 19415 1753 1 4 . 1 1 129 129 HIS CA C 129 54.810 54.810 55.067 -0.257 19415 1754 1 4 . 1 1 129 129 HIS CB C 129 34.983 34.983 33.073 1.910 19415 1755 1 4 . 1 1 129 129 HIS H H 129 9.292 9.292 8.884 0.408 19415 1756 1 4 . 1 1 130 130 TYR N N 130 125.995 125.995 127.468 -1.473 19415 1757 1 4 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.285 0.434 19415 1758 1 4 . 1 1 130 130 TYR C C 130 174.625 174.625 174.870 -0.245 19415 1759 1 4 . 1 1 130 130 TYR CA C 130 56.182 56.182 55.884 0.298 19415 1760 1 4 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.074 1.205 19415 1761 1 4 . 1 1 130 130 TYR H H 130 8.865 8.865 8.635 0.230 19415 1762 1 4 . 1 1 131 131 ILE N N 131 126.610 126.610 127.826 -1.216 19415 1763 1 4 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.330 -0.007 19415 1764 1 4 . 1 1 131 131 ILE C C 131 175.516 175.516 175.320 0.196 19415 1765 1 4 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.413 -0.686 19415 1766 1 4 . 1 1 131 131 ILE CB C 131 41.170 41.170 37.631 3.539 19415 1767 1 4 . 1 1 131 131 ILE H H 131 8.889 8.889 8.484 0.405 19415 1768 1 4 . 1 1 132 132 ASN N N 132 126.614 126.614 127.175 -0.561 19415 1769 1 4 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.292 0.069 19415 1770 1 4 . 1 1 132 132 ASN C C 132 175.421 175.421 174.758 0.663 19415 1771 1 4 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.969 -0.036 19415 1772 1 4 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.877 -0.536 19415 1773 1 4 . 1 1 132 132 ASN H H 132 9.375 9.375 9.255 0.120 19415 1774 1 4 . 1 1 133 133 GLY N N 133 102.667 102.667 102.410 0.257 19415 1775 1 4 . 1 1 133 133 GLY C C 133 173.969 173.969 172.962 1.007 19415 1776 1 4 . 1 1 133 133 GLY CA C 133 45.395 45.395 44.477 0.917 19415 1777 1 4 . 1 1 133 133 GLY H H 133 7.417 7.417 7.804 -0.387 19415 1778 1 4 . 1 1 134 134 SER N N 134 117.123 117.123 115.061 2.062 19415 1779 1 4 . 1 1 134 134 SER HA H 134 4.743 4.743 4.561 0.182 19415 1780 1 4 . 1 1 134 134 SER C C 134 170.825 170.825 172.978 -2.153 19415 1781 1 4 . 1 1 134 134 SER CA C 134 57.754 57.754 57.056 0.698 19415 1782 1 4 . 1 1 134 134 SER CB C 134 66.060 66.060 65.379 0.681 19415 1783 1 4 . 1 1 134 134 SER H H 134 7.639 7.639 7.413 0.226 19415 1784 1 4 . 1 1 135 135 LEU N N 135 122.242 122.242 126.868 -4.626 19415 1785 1 4 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.943 0.271 19415 1786 1 4 . 1 1 135 135 LEU C C 135 177.735 177.735 175.228 2.507 19415 1787 1 4 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.459 -1.030 19415 1788 1 4 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.296 2.389 19415 1789 1 4 . 1 1 135 135 LEU H H 135 8.236 8.236 8.634 -0.398 19415 1790 1 4 . 1 1 136 136 PHE N N 136 118.689 118.689 120.908 -2.219 19415 1791 1 4 . 1 1 136 136 PHE HA H 136 5.990 5.990 4.986 1.004 19415 1792 1 4 . 1 1 136 136 PHE C C 136 175.971 175.971 174.568 1.403 19415 1793 1 4 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.511 0.393 19415 1794 1 4 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.390 0.939 19415 1795 1 4 . 1 1 136 136 PHE H H 136 9.221 9.221 9.017 0.204 19415 1796 1 4 . 1 1 137 137 CYS N N 137 121.328 121.328 116.916 4.412 19415 1797 1 4 . 1 1 137 137 CYS HA H 137 4.966 4.966 4.955 0.011 19415 1798 1 4 . 1 1 137 137 CYS C C 137 175.030 175.030 174.220 0.810 19415 1799 1 4 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.628 0.925 19415 1800 1 4 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.365 -1.140 19415 1801 1 4 . 1 1 137 137 CYS H H 137 9.716 9.716 9.205 0.511 19415 1802 1 4 . 1 1 138 138 GLU N N 138 118.055 118.055 118.766 -0.711 19415 1803 1 4 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.357 -0.214 19415 1804 1 4 . 1 1 138 138 GLU C C 138 178.535 178.535 177.366 1.169 19415 1805 1 4 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.042 0.527 19415 1806 1 4 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.227 0.667 19415 1807 1 4 . 1 1 138 138 GLU H H 138 8.476 8.476 8.843 -0.367 19415 1808 1 4 . 1 1 139 139 HIS N N 139 117.190 117.190 116.707 0.483 19415 1809 1 4 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.532 -0.102 19415 1810 1 4 . 1 1 139 139 HIS C C 139 175.584 175.584 175.632 -0.048 19415 1811 1 4 . 1 1 139 139 HIS CA C 139 58.130 58.130 57.300 0.830 19415 1812 1 4 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.177 -1.231 19415 1813 1 4 . 1 1 139 139 HIS H H 139 8.365 8.365 7.789 0.576 19415 1814 1 4 . 1 1 140 140 ASP N N 140 118.373 118.373 116.561 1.812 19415 1815 1 4 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.641 0.315 19415 1816 1 4 . 1 1 140 140 ASP C C 140 174.258 174.258 176.526 -2.268 19415 1817 1 4 . 1 1 140 140 ASP CA C 140 54.319 54.319 54.633 -0.314 19415 1818 1 4 . 1 1 140 140 ASP CB C 140 42.317 42.317 42.956 -0.639 19415 1819 1 4 . 1 1 140 140 ASP H H 140 8.082 8.082 7.636 0.446 19415 1820 1 4 . 1 1 141 141 ARG N N 141 121.880 121.880 121.780 0.100 19415 1821 1 4 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.927 -0.311 19415 1822 1 4 . 1 1 141 141 ARG C C 141 173.939 173.939 173.774 0.165 19415 1823 1 4 . 1 1 141 141 ARG CA C 141 54.722 54.722 56.424 -1.702 19415 1824 1 4 . 1 1 141 141 ARG CB C 141 29.423 29.423 28.740 0.683 19415 1825 1 4 . 1 1 141 141 ARG H H 141 7.120 7.120 8.284 -1.164 19415 1826 1 4 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.440 -0.190 19415 1827 1 4 . 1 1 142 142 PRO C C 142 176.688 176.688 175.636 1.052 19415 1828 1 4 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.140 0.559 19415 1829 1 4 . 1 1 142 142 PRO CB C 142 31.249 31.249 32.198 -0.949 19415 1830 1 4 . 1 1 143 143 THR N N 143 115.472 115.472 111.118 4.354 19415 1831 1 4 . 1 1 143 143 THR HA H 143 3.924 3.924 4.031 -0.107 19415 1832 1 4 . 1 1 143 143 THR C C 143 174.890 174.890 174.694 0.196 19415 1833 1 4 . 1 1 143 143 THR CA C 143 63.099 63.099 62.544 0.555 19415 1834 1 4 . 1 1 143 143 THR CB C 143 69.197 69.197 68.749 0.448 19415 1835 1 4 . 1 1 143 143 THR H H 143 8.015 8.015 7.802 0.213 19415 1836 1 4 . 1 1 144 144 ALA N N 144 124.502 124.502 129.021 -4.519 19415 1837 1 4 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.294 -0.094 19415 1838 1 4 . 1 1 144 144 ALA C C 144 177.656 177.656 176.806 0.850 19415 1839 1 4 . 1 1 144 144 ALA CA C 144 52.807 52.807 52.697 0.110 19415 1840 1 4 . 1 1 144 144 ALA CB C 144 19.005 19.005 17.745 1.260 19415 1841 1 4 . 1 1 144 144 ALA H H 144 8.130 8.130 8.826 -0.696 19415 1842 1 4 . 1 1 145 145 LEU N N 145 119.506 119.506 117.939 1.567 19415 1843 1 4 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.406 -0.130 19415 1844 1 4 . 1 1 145 145 LEU C C 145 177.574 177.574 176.549 1.025 19415 1845 1 4 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.871 0.196 19415 1846 1 4 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.969 -0.739 19415 1847 1 4 . 1 1 145 145 LEU H H 145 7.897 7.897 7.802 0.095 19415 1848 1 4 . 1 1 146 146 ILE N N 146 120.683 120.683 120.027 0.656 19415 1849 1 4 . 1 1 146 146 ILE HA H 146 4.055 4.055 3.869 0.186 19415 1850 1 4 . 1 1 146 146 ILE C C 146 176.259 176.259 175.337 0.922 19415 1851 1 4 . 1 1 146 146 ILE CA C 146 61.486 61.486 61.812 -0.326 19415 1852 1 4 . 1 1 146 146 ILE CB C 146 38.629 38.629 38.596 0.033 19415 1853 1 4 . 1 1 146 146 ILE H H 146 7.842 7.842 7.595 0.247 19415 1854 1 4 . 1 1 405 405 ALA N N 405 133.214 133.214 128.489 4.725 19415 1855 1 4 . 1 1 405 405 ALA HA H 405 4.471 4.471 3.985 0.486 19415 1856 1 4 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.130 -0.312 19415 1857 1 4 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.632 -1.585 19415 1858 1 4 . 1 1 405 405 ALA H H 405 9.651 9.651 8.564 1.087 19415 1859 1 4 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.463 0.124 19415 1860 1 4 . 1 1 406 406 PRO C C 406 174.175 174.175 175.547 -1.372 19415 1861 1 4 . 1 1 406 406 PRO CA C 406 61.942 61.942 62.561 -0.619 19415 1862 1 4 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.501 0.488 19415 1863 1 4 . 1 1 407 407 PHE N N 407 113.077 113.077 115.112 -2.035 19415 1864 1 4 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.817 -0.313 19415 1865 1 4 . 1 1 407 407 PHE C C 407 174.954 174.954 173.990 0.964 19415 1866 1 4 . 1 1 407 407 PHE CA C 407 57.263 57.263 54.887 2.376 19415 1867 1 4 . 1 1 407 407 PHE CB C 407 38.318 38.318 40.807 -2.489 19415 1868 1 4 . 1 1 407 407 PHE H H 407 7.899 7.899 8.406 -0.507 19415 1869 1 4 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.505 0.248 19415 1870 1 4 . 1 1 408 408 PRO C C 408 175.865 175.865 175.663 0.202 19415 1871 1 4 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.506 0.420 19415 1872 1 4 . 1 1 408 408 PRO CB C 408 33.457 33.457 32.310 1.147 19415 1873 1 4 . 1 1 409 409 GLU N N 409 119.349 119.349 124.124 -4.775 19415 1874 1 4 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.551 0.172 19415 1875 1 4 . 1 1 409 409 GLU C C 409 174.291 174.291 175.576 -1.285 19415 1876 1 4 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.855 -0.675 19415 1877 1 4 . 1 1 409 409 GLU CB C 409 34.429 34.429 34.116 0.313 19415 1878 1 4 . 1 1 409 409 GLU H H 409 8.813 8.813 8.609 0.204 19415 1879 1 4 . 1 1 410 410 ALA N N 410 124.017 124.017 125.857 -1.840 19415 1880 1 4 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.475 -0.144 19415 1881 1 4 . 1 1 410 410 ALA C C 410 178.181 178.181 176.568 1.613 19415 1882 1 4 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.736 -0.495 19415 1883 1 4 . 1 1 410 410 ALA CB C 410 19.102 19.102 18.710 0.392 19415 1884 1 4 . 1 1 410 410 ALA H H 410 8.562 8.562 8.477 0.085 19415 1885 1 4 . 1 1 411 411 ALA N N 411 124.837 124.837 128.561 -3.724 19415 1886 1 4 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.534 -0.605 19415 1887 1 4 . 1 1 411 411 ALA C C 411 178.042 178.042 176.836 1.206 19415 1888 1 4 . 1 1 411 411 ALA CA C 411 54.247 54.247 51.292 2.955 19415 1889 1 4 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.803 -1.073 19415 1890 1 4 . 1 1 411 411 ALA H H 411 8.475 8.475 8.135 0.340 19415 1891 1 4 . 1 1 412 412 LEU N N 412 119.893 119.893 118.395 1.498 19415 1892 1 4 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.630 0.078 19415 1893 1 4 . 1 1 412 412 LEU C C 412 174.281 174.281 174.973 -0.692 19415 1894 1 4 . 1 1 412 412 LEU CA C 412 52.130 52.130 53.250 -1.120 19415 1895 1 4 . 1 1 412 412 LEU CB C 412 42.645 42.645 40.865 1.780 19415 1896 1 4 . 1 1 412 412 LEU H H 412 8.075 8.075 7.987 0.088 19415 1897 1 4 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.847 -0.394 19415 1898 1 4 . 1 1 413 413 PRO C C 413 177.094 177.094 176.951 0.143 19415 1899 1 4 . 1 1 413 413 PRO CA C 413 63.001 63.001 61.971 1.030 19415 1900 1 4 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.763 -0.584 19415 1901 1 4 . 1 1 414 414 THR N N 414 114.256 114.256 115.292 -1.036 19415 1902 1 4 . 1 1 414 414 THR HA H 414 4.294 4.294 4.262 0.032 19415 1903 1 4 . 1 1 414 414 THR C C 414 174.480 174.480 174.938 -0.458 19415 1904 1 4 . 1 1 414 414 THR CA C 414 61.757 61.757 61.968 -0.211 19415 1905 1 4 . 1 1 414 414 THR CB C 414 69.712 69.712 69.927 -0.215 19415 1906 1 4 . 1 1 414 414 THR H H 414 8.177 8.177 8.135 0.042 19415 1907 1 4 . 1 1 415 415 SER N N 415 117.918 117.918 119.576 -1.658 19415 1908 1 4 . 1 1 415 415 SER HA H 415 4.424 4.424 4.370 0.054 19415 1909 1 4 . 1 1 415 415 SER C C 415 173.689 173.689 174.302 -0.613 19415 1910 1 4 . 1 1 415 415 SER CA C 415 58.072 58.072 59.037 -0.965 19415 1911 1 4 . 1 1 415 415 SER CB C 415 63.852 63.852 63.719 0.133 19415 1912 1 4 . 1 1 415 415 SER H H 415 8.193 8.193 8.618 -0.425 19415 1913 1 4 . 1 1 416 416 HIS N N 416 121.537 121.537 124.644 -3.107 19415 1914 1 4 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.689 0.253 19415 1915 1 4 . 1 1 416 416 HIS C C 416 172.547 172.547 174.161 -1.614 19415 1916 1 4 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.754 -1.052 19415 1917 1 4 . 1 1 416 416 HIS CB C 416 29.462 29.462 29.920 -0.458 19415 1918 1 4 . 1 1 416 416 HIS H H 416 8.373 8.373 8.362 0.011 19415 1919 1 4 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.503 -0.082 19415 1920 1 4 . 1 1 417 417 PRO C C 417 176.060 176.060 176.470 -0.410 19415 1921 1 4 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.658 0.790 19415 1922 1 4 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.449 -0.290 19415 1923 1 4 . 1 1 902 902 GLY N N 902 108.524 108.524 108.458 0.066 19415 1924 1 4 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.023 1.337 19415 1925 1 4 . 1 1 902 902 GLY H H 902 8.196 8.196 8.239 -0.043 19415 1926 1 4 . 1 1 903 903 SER N N 903 115.821 115.821 117.983 -2.162 19415 1927 1 4 . 1 1 903 903 SER HA H 903 4.403 4.403 4.273 0.130 19415 1928 1 4 . 1 1 903 903 SER CA C 903 58.602 58.602 58.354 0.248 19415 1929 1 4 . 1 1 903 903 SER CB C 903 63.762 63.762 61.691 2.071 19415 1930 1 4 . 1 1 903 903 SER H H 903 8.354 8.354 8.728 -0.374 19415 1931 1 4 . 1 1 904 904 GLY N N 904 110.847 110.847 114.788 -3.941 19415 1932 1 4 . 1 1 904 904 GLY C C 904 174.889 174.889 174.341 0.548 19415 1933 1 4 . 1 1 904 904 GLY CA C 904 45.594 45.594 46.341 -0.747 19415 1934 1 4 . 1 1 904 904 GLY H H 904 8.558 8.558 8.543 0.015 19415 1935 1 4 . 1 1 905 905 GLY N N 905 108.922 108.922 110.294 -1.372 19415 1936 1 4 . 1 1 905 905 GLY C C 905 174.452 174.452 173.593 0.859 19415 1937 1 4 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.734 0.815 19415 1938 1 4 . 1 1 905 905 GLY H H 905 8.307 8.307 8.062 0.245 19415 1939 1 4 . 1 1 906 906 SER N N 906 115.224 115.224 116.462 -1.238 19415 1940 1 4 . 1 1 906 906 SER HA H 906 4.552 4.552 4.719 -0.167 19415 1941 1 4 . 1 1 906 906 SER C C 906 175.108 175.108 174.543 0.565 19415 1942 1 4 . 1 1 906 906 SER CA C 906 58.647 58.647 57.459 1.188 19415 1943 1 4 . 1 1 906 906 SER CB C 906 64.091 64.091 63.764 0.327 19415 1944 1 4 . 1 1 906 906 SER H H 906 8.362 8.362 7.552 0.810 19415 1945 1 4 . 1 1 907 907 GLY N N 907 110.875 110.875 112.124 -1.249 19415 1946 1 4 . 1 1 907 907 GLY C C 907 173.335 173.335 174.405 -1.070 19415 1947 1 4 . 1 1 907 907 GLY CA C 907 45.010 45.010 46.262 -1.252 19415 1948 1 4 . 1 1 907 907 GLY H H 907 8.437 8.437 9.615 -1.178 19415 1949 1 5 . 1 1 78 78 ILE N N 78 124.415 124.415 122.279 2.136 19415 1950 1 5 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.624 -0.582 19415 1951 1 5 . 1 1 78 78 ILE C C 78 175.260 175.260 175.702 -0.442 19415 1952 1 5 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.204 -0.477 19415 1953 1 5 . 1 1 78 78 ILE CB C 78 38.922 38.922 39.724 -0.802 19415 1954 1 5 . 1 1 78 78 ILE H H 78 8.025 8.025 8.425 -0.400 19415 1955 1 5 . 1 1 79 79 ARG N N 79 125.999 125.999 124.460 1.539 19415 1956 1 5 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.658 -0.443 19415 1957 1 5 . 1 1 79 79 ARG C C 79 175.494 175.494 174.672 0.822 19415 1958 1 5 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.829 0.027 19415 1959 1 5 . 1 1 79 79 ARG CB C 79 30.774 30.774 32.209 -1.435 19415 1960 1 5 . 1 1 79 79 ARG H H 79 8.249 8.249 8.925 -0.676 19415 1961 1 5 . 1 1 80 80 LEU N N 80 124.427 124.427 116.887 7.540 19415 1962 1 5 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.552 -0.260 19415 1963 1 5 . 1 1 80 80 LEU C C 80 176.785 176.785 175.524 1.261 19415 1964 1 5 . 1 1 80 80 LEU CA C 80 54.820 54.820 54.472 0.348 19415 1965 1 5 . 1 1 80 80 LEU CB C 80 42.520 42.520 44.929 -2.409 19415 1966 1 5 . 1 1 80 80 LEU H H 80 8.190 8.190 7.461 0.729 19415 1967 1 5 . 1 1 81 81 PHE N N 81 120.462 120.462 122.980 -2.518 19415 1968 1 5 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.526 0.098 19415 1969 1 5 . 1 1 81 81 PHE C C 81 176.212 176.212 176.232 -0.020 19415 1970 1 5 . 1 1 81 81 PHE CA C 81 57.570 57.570 60.300 -2.730 19415 1971 1 5 . 1 1 81 81 PHE CB C 81 39.802 39.802 39.445 0.357 19415 1972 1 5 . 1 1 81 81 PHE H H 81 8.244 8.244 9.082 -0.838 19415 1973 1 5 . 1 1 82 82 GLY N N 82 110.003 110.003 103.496 6.507 19415 1974 1 5 . 1 1 82 82 GLY C C 82 173.730 173.730 173.489 0.241 19415 1975 1 5 . 1 1 82 82 GLY CA C 82 45.415 45.415 44.333 1.082 19415 1976 1 5 . 1 1 82 82 GLY H H 82 8.351 8.351 7.845 0.506 19415 1977 1 5 . 1 1 83 83 ASN N N 83 118.840 118.840 117.208 1.632 19415 1978 1 5 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.424 0.370 19415 1979 1 5 . 1 1 83 83 ASN C C 83 175.312 175.312 173.793 1.519 19415 1980 1 5 . 1 1 83 83 ASN CA C 83 52.996 52.996 53.864 -0.868 19415 1981 1 5 . 1 1 83 83 ASN CB C 83 39.137 39.137 38.089 1.048 19415 1982 1 5 . 1 1 83 83 ASN H H 83 8.325 8.325 8.415 -0.090 19415 1983 1 5 . 1 1 84 84 SER N N 84 116.555 116.555 118.711 -2.156 19415 1984 1 5 . 1 1 84 84 SER CA C 84 58.823 58.823 57.653 1.170 19415 1985 1 5 . 1 1 84 84 SER CB C 84 63.887 63.887 65.397 -1.510 19415 1986 1 5 . 1 1 84 84 SER H H 84 8.463 8.463 7.996 0.467 19415 1987 1 5 . 1 1 85 85 GLY N N 85 109.826 109.826 110.114 -0.288 19415 1988 1 5 . 1 1 85 85 GLY C C 85 172.709 172.709 173.043 -0.334 19415 1989 1 5 . 1 1 85 85 GLY CA C 85 45.153 45.153 44.850 0.303 19415 1990 1 5 . 1 1 85 85 GLY H H 85 8.341 8.341 8.429 -0.088 19415 1991 1 5 . 1 1 86 86 ALA N N 86 122.100 122.100 127.161 -5.061 19415 1992 1 5 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.641 -0.194 19415 1993 1 5 . 1 1 86 86 ALA C C 86 175.383 175.383 176.194 -0.811 19415 1994 1 5 . 1 1 86 86 ALA CA C 86 50.523 50.523 49.882 0.641 19415 1995 1 5 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.477 -0.766 19415 1996 1 5 . 1 1 86 86 ALA H H 86 7.703 7.703 7.720 -0.017 19415 1997 1 5 . 1 1 87 87 CYS N N 87 121.922 121.922 121.774 0.148 19415 1998 1 5 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.734 -0.537 19415 1999 1 5 . 1 1 87 87 CYS C C 87 178.454 178.454 176.256 2.198 19415 2000 1 5 . 1 1 87 87 CYS CA C 87 58.515 58.515 57.052 1.463 19415 2001 1 5 . 1 1 87 87 CYS CB C 87 31.600 31.600 27.355 4.245 19415 2002 1 5 . 1 1 87 87 CYS H H 87 7.968 7.968 8.664 -0.696 19415 2003 1 5 . 1 1 88 88 SER N N 88 126.804 126.804 122.118 4.686 19415 2004 1 5 . 1 1 88 88 SER HA H 88 4.174 4.174 4.195 -0.021 19415 2005 1 5 . 1 1 88 88 SER C C 88 173.647 173.647 175.178 -1.531 19415 2006 1 5 . 1 1 88 88 SER CA C 88 62.158 62.158 59.857 2.301 19415 2007 1 5 . 1 1 88 88 SER CB C 88 63.401 63.401 62.935 0.466 19415 2008 1 5 . 1 1 88 88 SER H H 88 9.202 9.202 8.201 1.001 19415 2009 1 5 . 1 1 89 89 ALA N N 89 123.763 123.763 122.913 0.850 19415 2010 1 5 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.314 0.522 19415 2011 1 5 . 1 1 89 89 ALA C C 89 178.007 178.007 178.223 -0.216 19415 2012 1 5 . 1 1 89 89 ALA CA C 89 53.933 53.933 54.300 -0.367 19415 2013 1 5 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.297 1.948 19415 2014 1 5 . 1 1 89 89 ALA H H 89 8.964 8.964 7.578 1.386 19415 2015 1 5 . 1 1 90 90 CYS N N 90 115.099 115.099 113.150 1.949 19415 2016 1 5 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.731 0.301 19415 2017 1 5 . 1 1 90 90 CYS C C 90 177.164 177.164 176.099 1.065 19415 2018 1 5 . 1 1 90 90 CYS CA C 90 58.754 58.754 58.950 -0.196 19415 2019 1 5 . 1 1 90 90 CYS CB C 90 31.688 31.688 28.527 3.161 19415 2020 1 5 . 1 1 90 90 CYS H H 90 8.078 8.078 7.674 0.404 19415 2021 1 5 . 1 1 91 91 GLY N N 91 112.869 112.869 109.066 3.803 19415 2022 1 5 . 1 1 91 91 GLY C C 91 173.725 173.725 173.213 0.512 19415 2023 1 5 . 1 1 91 91 GLY CA C 91 46.303 46.303 44.560 1.743 19415 2024 1 5 . 1 1 91 91 GLY H H 91 7.996 7.996 8.338 -0.342 19415 2025 1 5 . 1 1 92 92 GLN N N 92 119.848 119.848 121.037 -1.189 19415 2026 1 5 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.367 0.208 19415 2027 1 5 . 1 1 92 92 GLN C C 92 176.015 176.015 175.368 0.647 19415 2028 1 5 . 1 1 92 92 GLN CA C 92 54.954 54.954 55.212 -0.258 19415 2029 1 5 . 1 1 92 92 GLN CB C 92 30.026 30.026 29.434 0.592 19415 2030 1 5 . 1 1 92 92 GLN H H 92 8.341 8.341 7.787 0.554 19415 2031 1 5 . 1 1 93 93 SER N N 93 116.734 116.734 120.998 -4.264 19415 2032 1 5 . 1 1 93 93 SER C C 93 173.776 173.776 175.068 -1.292 19415 2033 1 5 . 1 1 93 93 SER CA C 93 59.491 59.491 58.493 0.998 19415 2034 1 5 . 1 1 93 93 SER CB C 93 63.707 63.707 63.655 0.052 19415 2035 1 5 . 1 1 93 93 SER H H 93 8.656 8.656 8.554 0.102 19415 2036 1 5 . 1 1 94 94 ILE N N 94 126.045 126.045 127.096 -1.051 19415 2037 1 5 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.257 0.085 19415 2038 1 5 . 1 1 94 94 ILE CA C 94 58.525 58.525 59.946 -1.421 19415 2039 1 5 . 1 1 94 94 ILE CB C 94 39.907 39.907 38.065 1.842 19415 2040 1 5 . 1 1 94 94 ILE H H 94 8.281 8.281 8.442 -0.161 19415 2041 1 5 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.638 -0.165 19415 2042 1 5 . 1 1 95 95 PRO C C 95 176.605 176.605 177.245 -0.640 19415 2043 1 5 . 1 1 95 95 PRO CA C 95 62.852 62.852 61.978 0.874 19415 2044 1 5 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.177 0.614 19415 2045 1 5 . 1 1 96 96 ALA N N 96 122.591 122.591 122.875 -0.284 19415 2046 1 5 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.229 -0.229 19415 2047 1 5 . 1 1 96 96 ALA C C 96 177.763 177.763 177.377 0.386 19415 2048 1 5 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.660 0.945 19415 2049 1 5 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.367 0.739 19415 2050 1 5 . 1 1 96 96 ALA H H 96 8.400 8.400 8.521 -0.121 19415 2051 1 5 . 1 1 97 97 SER N N 97 107.288 107.288 113.041 -5.753 19415 2052 1 5 . 1 1 97 97 SER HA H 97 4.270 4.270 4.422 -0.152 19415 2053 1 5 . 1 1 97 97 SER C C 97 174.625 174.625 174.815 -0.190 19415 2054 1 5 . 1 1 97 97 SER CA C 97 58.532 58.532 58.960 -0.428 19415 2055 1 5 . 1 1 97 97 SER CB C 97 63.538 63.538 63.487 0.050 19415 2056 1 5 . 1 1 97 97 SER H H 97 7.796 7.796 8.366 -0.570 19415 2057 1 5 . 1 1 98 98 GLU N N 98 124.231 124.231 121.927 2.304 19415 2058 1 5 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.400 -0.143 19415 2059 1 5 . 1 1 98 98 GLU C C 98 175.476 175.476 174.455 1.021 19415 2060 1 5 . 1 1 98 98 GLU CA C 98 56.521 56.521 56.401 0.120 19415 2061 1 5 . 1 1 98 98 GLU CB C 98 31.081 31.081 31.424 -0.343 19415 2062 1 5 . 1 1 98 98 GLU H H 98 7.649 7.649 7.434 0.215 19415 2063 1 5 . 1 1 99 99 LEU N N 99 122.696 122.696 119.577 3.119 19415 2064 1 5 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.861 -0.356 19415 2065 1 5 . 1 1 99 99 LEU C C 99 176.253 176.253 175.713 0.540 19415 2066 1 5 . 1 1 99 99 LEU CA C 99 54.635 54.635 53.695 0.940 19415 2067 1 5 . 1 1 99 99 LEU CB C 99 42.967 42.967 43.537 -0.570 19415 2068 1 5 . 1 1 99 99 LEU H H 99 8.250 8.250 8.509 -0.259 19415 2069 1 5 . 1 1 100 100 VAL N N 100 112.933 112.933 116.909 -3.976 19415 2070 1 5 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.874 0.029 19415 2071 1 5 . 1 1 100 100 VAL C C 100 175.544 175.544 174.856 0.688 19415 2072 1 5 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.486 -0.739 19415 2073 1 5 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.659 1.239 19415 2074 1 5 . 1 1 100 100 VAL H H 100 8.934 8.934 9.013 -0.079 19415 2075 1 5 . 1 1 101 101 MET N N 101 116.964 116.964 121.506 -4.542 19415 2076 1 5 . 1 1 101 101 MET HA H 101 4.676 4.676 5.111 -0.435 19415 2077 1 5 . 1 1 101 101 MET C C 101 175.197 175.197 175.422 -0.225 19415 2078 1 5 . 1 1 101 101 MET CA C 101 52.397 52.397 54.001 -1.604 19415 2079 1 5 . 1 1 101 101 MET CB C 101 34.490 34.490 35.351 -0.861 19415 2080 1 5 . 1 1 101 101 MET H H 101 8.299 8.299 9.013 -0.714 19415 2081 1 5 . 1 1 102 102 ARG N N 102 122.278 122.278 121.747 0.531 19415 2082 1 5 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.541 0.613 19415 2083 1 5 . 1 1 102 102 ARG C C 102 175.008 175.008 175.572 -0.564 19415 2084 1 5 . 1 1 102 102 ARG CA C 102 54.850 54.850 55.599 -0.749 19415 2085 1 5 . 1 1 102 102 ARG CB C 102 32.335 32.335 30.440 1.895 19415 2086 1 5 . 1 1 102 102 ARG H H 102 8.112 8.112 8.741 -0.629 19415 2087 1 5 . 1 1 103 103 ALA N N 103 123.373 123.373 128.682 -5.309 19415 2088 1 5 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.207 0.392 19415 2089 1 5 . 1 1 103 103 ALA C C 103 176.137 176.137 177.305 -1.168 19415 2090 1 5 . 1 1 103 103 ALA CA C 103 52.049 52.049 53.417 -1.368 19415 2091 1 5 . 1 1 103 103 ALA CB C 103 21.835 21.835 19.477 2.358 19415 2092 1 5 . 1 1 103 103 ALA H H 103 8.129 8.129 8.939 -0.810 19415 2093 1 5 . 1 1 104 104 GLN N N 104 120.352 120.352 116.427 3.925 19415 2094 1 5 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.487 -0.685 19415 2095 1 5 . 1 1 104 104 GLN C C 104 175.032 175.032 177.087 -2.055 19415 2096 1 5 . 1 1 104 104 GLN CA C 104 56.385 56.385 55.203 1.183 19415 2097 1 5 . 1 1 104 104 GLN CB C 104 25.801 25.801 29.279 -3.478 19415 2098 1 5 . 1 1 104 104 GLN H H 104 9.312 9.312 7.552 1.760 19415 2099 1 5 . 1 1 105 105 GLY N N 105 105.580 105.580 107.389 -1.809 19415 2100 1 5 . 1 1 105 105 GLY C C 105 173.414 173.414 174.817 -1.403 19415 2101 1 5 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.064 0.411 19415 2102 1 5 . 1 1 105 105 GLY H H 105 8.493 8.493 8.415 0.078 19415 2103 1 5 . 1 1 106 106 ASN N N 106 120.347 120.347 117.756 2.591 19415 2104 1 5 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.953 -0.133 19415 2105 1 5 . 1 1 106 106 ASN C C 106 174.060 174.060 174.103 -0.043 19415 2106 1 5 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.159 -0.382 19415 2107 1 5 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.892 0.712 19415 2108 1 5 . 1 1 106 106 ASN H H 106 8.085 8.085 8.308 -0.223 19415 2109 1 5 . 1 1 107 107 VAL N N 107 118.992 118.992 115.935 3.057 19415 2110 1 5 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.847 -0.073 19415 2111 1 5 . 1 1 107 107 VAL C C 107 173.066 173.066 174.433 -1.367 19415 2112 1 5 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.272 0.304 19415 2113 1 5 . 1 1 107 107 VAL CB C 107 34.475 34.475 33.196 1.279 19415 2114 1 5 . 1 1 107 107 VAL H H 107 8.207 8.207 8.206 0.001 19415 2115 1 5 . 1 1 108 108 TYR N N 108 121.397 121.397 118.738 2.659 19415 2116 1 5 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.684 1.246 19415 2117 1 5 . 1 1 108 108 TYR C C 108 177.709 177.709 174.664 3.045 19415 2118 1 5 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.461 -0.459 19415 2119 1 5 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.624 0.313 19415 2120 1 5 . 1 1 108 108 TYR H H 108 8.681 8.681 8.674 0.007 19415 2121 1 5 . 1 1 109 109 HIS N N 109 120.399 120.399 121.140 -0.741 19415 2122 1 5 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.633 0.124 19415 2123 1 5 . 1 1 109 109 HIS C C 109 178.297 178.297 177.230 1.067 19415 2124 1 5 . 1 1 109 109 HIS CA C 109 59.269 59.269 57.884 1.385 19415 2125 1 5 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.081 0.358 19415 2126 1 5 . 1 1 109 109 HIS H H 109 8.681 8.681 8.707 -0.026 19415 2127 1 5 . 1 1 110 110 LEU N N 110 124.629 124.629 122.076 2.553 19415 2128 1 5 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.227 -0.345 19415 2129 1 5 . 1 1 110 110 LEU C C 110 180.956 180.956 177.534 3.422 19415 2130 1 5 . 1 1 110 110 LEU CA C 110 60.072 60.072 58.442 1.630 19415 2131 1 5 . 1 1 110 110 LEU CB C 110 40.482 40.482 41.894 -1.412 19415 2132 1 5 . 1 1 110 110 LEU H H 110 8.924 8.924 8.605 0.319 19415 2133 1 5 . 1 1 111 111 LYS N N 111 112.542 112.542 116.172 -3.630 19415 2134 1 5 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.202 -0.206 19415 2135 1 5 . 1 1 111 111 LYS C C 111 176.711 176.711 177.075 -0.364 19415 2136 1 5 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.270 -0.333 19415 2137 1 5 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.766 -0.057 19415 2138 1 5 . 1 1 111 111 LYS H H 111 8.586 8.586 8.265 0.321 19415 2139 1 5 . 1 1 112 112 CYS N N 112 117.897 117.897 116.974 0.923 19415 2140 1 5 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.729 -0.337 19415 2141 1 5 . 1 1 112 112 CYS C C 112 173.923 173.923 175.838 -1.915 19415 2142 1 5 . 1 1 112 112 CYS CA C 112 60.255 60.255 59.722 0.533 19415 2143 1 5 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.677 4.757 19415 2144 1 5 . 1 1 112 112 CYS H H 112 7.439 7.439 8.180 -0.741 19415 2145 1 5 . 1 1 113 113 PHE N N 113 126.150 126.150 125.655 0.495 19415 2146 1 5 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.400 -0.319 19415 2147 1 5 . 1 1 113 113 PHE C C 113 172.777 172.777 174.220 -1.443 19415 2148 1 5 . 1 1 113 113 PHE CA C 113 57.131 57.131 56.401 0.730 19415 2149 1 5 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.170 -0.361 19415 2150 1 5 . 1 1 113 113 PHE H H 113 7.467 7.467 8.442 -0.975 19415 2151 1 5 . 1 1 114 114 THR N N 114 112.302 112.302 116.052 -3.750 19415 2152 1 5 . 1 1 114 114 THR HA H 114 4.577 4.577 5.201 -0.624 19415 2153 1 5 . 1 1 114 114 THR C C 114 172.592 172.592 173.916 -1.324 19415 2154 1 5 . 1 1 114 114 THR CA C 114 57.922 57.922 59.769 -1.847 19415 2155 1 5 . 1 1 114 114 THR CB C 114 72.187 72.187 72.106 0.081 19415 2156 1 5 . 1 1 114 114 THR H H 114 6.895 6.895 8.007 -1.112 19415 2157 1 5 . 1 1 115 115 CYS N N 115 121.388 121.388 117.742 3.646 19415 2158 1 5 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.606 -0.816 19415 2159 1 5 . 1 1 115 115 CYS C C 115 177.309 177.309 176.385 0.924 19415 2160 1 5 . 1 1 115 115 CYS CA C 115 59.284 59.284 57.560 1.724 19415 2161 1 5 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.086 3.535 19415 2162 1 5 . 1 1 115 115 CYS H H 115 7.981 7.981 8.464 -0.483 19415 2163 1 5 . 1 1 116 116 SER N N 116 127.333 127.333 118.478 8.855 19415 2164 1 5 . 1 1 116 116 SER HA H 116 4.066 4.066 4.577 -0.511 19415 2165 1 5 . 1 1 116 116 SER C C 116 174.522 174.522 175.355 -0.833 19415 2166 1 5 . 1 1 116 116 SER CA C 116 61.507 61.507 59.914 1.593 19415 2167 1 5 . 1 1 116 116 SER CB C 116 63.619 63.619 62.695 0.924 19415 2168 1 5 . 1 1 116 116 SER H H 116 9.064 9.064 9.060 0.004 19415 2169 1 5 . 1 1 117 117 THR N N 117 121.020 121.020 117.132 3.888 19415 2170 1 5 . 1 1 117 117 THR HA H 117 4.384 4.384 4.468 -0.084 19415 2171 1 5 . 1 1 117 117 THR C C 117 174.713 174.713 175.365 -0.652 19415 2172 1 5 . 1 1 117 117 THR CA C 117 65.378 65.378 64.190 1.188 19415 2173 1 5 . 1 1 117 117 THR CB C 117 69.656 69.656 69.160 0.496 19415 2174 1 5 . 1 1 117 117 THR H H 117 8.939 8.939 8.520 0.419 19415 2175 1 5 . 1 1 118 118 CYS N N 118 120.215 120.215 116.679 3.536 19415 2176 1 5 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.874 -0.526 19415 2177 1 5 . 1 1 118 118 CYS C C 118 176.041 176.041 174.490 1.551 19415 2178 1 5 . 1 1 118 118 CYS CA C 118 59.487 59.487 58.525 0.962 19415 2179 1 5 . 1 1 118 118 CYS CB C 118 29.824 29.824 30.298 -0.474 19415 2180 1 5 . 1 1 118 118 CYS H H 118 8.180 8.180 7.900 0.280 19415 2181 1 5 . 1 1 119 119 ARG N N 119 114.664 114.664 120.109 -5.445 19415 2182 1 5 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.133 -0.022 19415 2183 1 5 . 1 1 119 119 ARG C C 119 174.910 174.910 174.362 0.548 19415 2184 1 5 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.516 1.057 19415 2185 1 5 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.223 -0.865 19415 2186 1 5 . 1 1 119 119 ARG H H 119 7.545 7.545 8.223 -0.678 19415 2187 1 5 . 1 1 120 120 ASN N N 120 118.962 118.962 117.804 1.158 19415 2188 1 5 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.823 -0.071 19415 2189 1 5 . 1 1 120 120 ASN C C 120 175.950 175.950 174.520 1.430 19415 2190 1 5 . 1 1 120 120 ASN CA C 120 53.504 53.504 52.069 1.435 19415 2191 1 5 . 1 1 120 120 ASN CB C 120 39.298 39.298 40.802 -1.504 19415 2192 1 5 . 1 1 120 120 ASN H H 120 8.232 8.232 8.189 0.043 19415 2193 1 5 . 1 1 121 121 ARG N N 121 122.104 122.104 122.980 -0.876 19415 2194 1 5 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.515 -0.530 19415 2195 1 5 . 1 1 121 121 ARG C C 121 175.638 175.638 176.091 -0.453 19415 2196 1 5 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.210 0.974 19415 2197 1 5 . 1 1 121 121 ARG CB C 121 30.567 30.567 31.000 -0.433 19415 2198 1 5 . 1 1 121 121 ARG H H 121 8.603 8.603 8.456 0.147 19415 2199 1 5 . 1 1 122 122 LEU N N 122 127.225 127.225 127.489 -0.264 19415 2200 1 5 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.311 0.218 19415 2201 1 5 . 1 1 122 122 LEU C C 122 175.345 175.345 175.538 -0.193 19415 2202 1 5 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.080 -1.253 19415 2203 1 5 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.882 -1.310 19415 2204 1 5 . 1 1 122 122 LEU H H 122 8.094 8.094 8.164 -0.070 19415 2205 1 5 . 1 1 123 123 VAL N N 123 121.030 121.030 113.562 7.468 19415 2206 1 5 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.595 -0.120 19415 2207 1 5 . 1 1 123 123 VAL C C 123 173.190 173.190 173.883 -0.693 19415 2208 1 5 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.025 1.006 19415 2209 1 5 . 1 1 123 123 VAL CB C 123 31.454 31.454 33.624 -2.170 19415 2210 1 5 . 1 1 123 123 VAL H H 123 8.416 8.416 8.228 0.188 19415 2211 1 5 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.378 -0.738 19415 2212 1 5 . 1 1 124 124 PRO C C 124 177.425 177.425 178.135 -0.710 19415 2213 1 5 . 1 1 124 124 PRO CA C 124 64.032 64.032 64.102 -0.070 19415 2214 1 5 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.783 0.452 19415 2215 1 5 . 1 1 125 125 GLY N N 125 113.120 113.120 114.744 -1.624 19415 2216 1 5 . 1 1 125 125 GLY C C 125 174.384 174.384 174.052 0.332 19415 2217 1 5 . 1 1 125 125 GLY CA C 125 45.103 45.103 45.138 -0.035 19415 2218 1 5 . 1 1 125 125 GLY H H 125 8.574 8.574 8.502 0.072 19415 2219 1 5 . 1 1 126 126 ASP N N 126 122.488 122.488 120.260 2.228 19415 2220 1 5 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.986 -0.263 19415 2221 1 5 . 1 1 126 126 ASP C C 126 176.558 176.558 174.947 1.611 19415 2222 1 5 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.591 1.733 19415 2223 1 5 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.307 -1.706 19415 2224 1 5 . 1 1 126 126 ASP H H 126 8.476 8.476 8.171 0.305 19415 2225 1 5 . 1 1 127 127 ARG N N 127 122.074 122.074 118.185 3.889 19415 2226 1 5 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.030 0.017 19415 2227 1 5 . 1 1 127 127 ARG C C 127 175.671 175.671 175.960 -0.289 19415 2228 1 5 . 1 1 127 127 ARG CA C 127 55.559 55.559 56.363 -0.804 19415 2229 1 5 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.530 -0.668 19415 2230 1 5 . 1 1 127 127 ARG H H 127 8.697 8.697 8.477 0.220 19415 2231 1 5 . 1 1 128 128 PHE N N 128 120.179 120.179 120.507 -0.328 19415 2232 1 5 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.909 0.285 19415 2233 1 5 . 1 1 128 128 PHE C C 128 171.304 171.304 172.753 -1.449 19415 2234 1 5 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.550 -1.123 19415 2235 1 5 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.112 1.401 19415 2236 1 5 . 1 1 128 128 PHE H H 128 8.869 8.869 9.032 -0.163 19415 2237 1 5 . 1 1 129 129 HIS N N 129 118.586 118.586 121.452 -2.866 19415 2238 1 5 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.649 0.032 19415 2239 1 5 . 1 1 129 129 HIS C C 129 173.764 173.764 173.033 0.731 19415 2240 1 5 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.761 0.049 19415 2241 1 5 . 1 1 129 129 HIS CB C 129 34.983 34.983 33.071 1.912 19415 2242 1 5 . 1 1 129 129 HIS H H 129 9.292 9.292 9.080 0.212 19415 2243 1 5 . 1 1 130 130 TYR N N 130 125.995 125.995 127.457 -1.462 19415 2244 1 5 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.488 0.231 19415 2245 1 5 . 1 1 130 130 TYR C C 130 174.625 174.625 174.564 0.061 19415 2246 1 5 . 1 1 130 130 TYR CA C 130 56.182 56.182 57.073 -0.891 19415 2247 1 5 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.050 1.230 19415 2248 1 5 . 1 1 130 130 TYR H H 130 8.865 8.865 8.625 0.240 19415 2249 1 5 . 1 1 131 131 ILE N N 131 126.610 126.610 126.984 -0.374 19415 2250 1 5 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.325 -0.002 19415 2251 1 5 . 1 1 131 131 ILE C C 131 175.516 175.516 175.141 0.375 19415 2252 1 5 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.449 -0.722 19415 2253 1 5 . 1 1 131 131 ILE CB C 131 41.170 41.170 40.816 0.354 19415 2254 1 5 . 1 1 131 131 ILE H H 131 8.889 8.889 8.038 0.851 19415 2255 1 5 . 1 1 132 132 ASN N N 132 126.614 126.614 127.322 -0.708 19415 2256 1 5 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.450 -0.089 19415 2257 1 5 . 1 1 132 132 ASN C C 132 175.421 175.421 175.094 0.327 19415 2258 1 5 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.714 0.219 19415 2259 1 5 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.655 -0.315 19415 2260 1 5 . 1 1 132 132 ASN H H 132 9.375 9.375 9.368 0.007 19415 2261 1 5 . 1 1 133 133 GLY N N 133 102.667 102.667 102.926 -0.259 19415 2262 1 5 . 1 1 133 133 GLY C C 133 173.969 173.969 173.409 0.560 19415 2263 1 5 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.426 -0.031 19415 2264 1 5 . 1 1 133 133 GLY H H 133 7.417 7.417 8.598 -1.181 19415 2265 1 5 . 1 1 134 134 SER N N 134 117.123 117.123 113.609 3.514 19415 2266 1 5 . 1 1 134 134 SER HA H 134 4.743 4.743 4.212 0.531 19415 2267 1 5 . 1 1 134 134 SER C C 134 170.825 170.825 171.971 -1.146 19415 2268 1 5 . 1 1 134 134 SER CA C 134 57.754 57.754 56.712 1.042 19415 2269 1 5 . 1 1 134 134 SER CB C 134 66.060 66.060 66.167 -0.107 19415 2270 1 5 . 1 1 134 134 SER H H 134 7.639 7.639 6.620 1.019 19415 2271 1 5 . 1 1 135 135 LEU N N 135 122.242 122.242 123.248 -1.006 19415 2272 1 5 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.615 0.599 19415 2273 1 5 . 1 1 135 135 LEU C C 135 177.735 177.735 175.079 2.656 19415 2274 1 5 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.244 -0.815 19415 2275 1 5 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.499 2.186 19415 2276 1 5 . 1 1 135 135 LEU H H 135 8.236 8.236 7.731 0.505 19415 2277 1 5 . 1 1 136 136 PHE N N 136 118.689 118.689 121.481 -2.792 19415 2278 1 5 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.046 0.944 19415 2279 1 5 . 1 1 136 136 PHE C C 136 175.971 175.971 175.804 0.167 19415 2280 1 5 . 1 1 136 136 PHE CA C 136 56.904 56.904 55.629 1.275 19415 2281 1 5 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.021 1.308 19415 2282 1 5 . 1 1 136 136 PHE H H 136 9.221 9.221 9.166 0.055 19415 2283 1 5 . 1 1 137 137 CYS N N 137 121.328 121.328 118.123 3.205 19415 2284 1 5 . 1 1 137 137 CYS HA H 137 4.966 4.966 4.818 0.148 19415 2285 1 5 . 1 1 137 137 CYS C C 137 175.030 175.030 175.394 -0.364 19415 2286 1 5 . 1 1 137 137 CYS CA C 137 57.553 57.553 57.474 0.079 19415 2287 1 5 . 1 1 137 137 CYS CB C 137 30.225 30.225 29.553 0.672 19415 2288 1 5 . 1 1 137 137 CYS H H 137 9.716 9.716 9.171 0.545 19415 2289 1 5 . 1 1 138 138 GLU N N 138 118.055 118.055 122.071 -4.016 19415 2290 1 5 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.195 -0.052 19415 2291 1 5 . 1 1 138 138 GLU C C 138 178.535 178.535 177.049 1.486 19415 2292 1 5 . 1 1 138 138 GLU CA C 138 59.569 59.569 58.745 0.824 19415 2293 1 5 . 1 1 138 138 GLU CB C 138 29.895 29.895 30.140 -0.245 19415 2294 1 5 . 1 1 138 138 GLU H H 138 8.476 8.476 9.069 -0.593 19415 2295 1 5 . 1 1 139 139 HIS N N 139 117.190 117.190 117.524 -0.334 19415 2296 1 5 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.527 -0.097 19415 2297 1 5 . 1 1 139 139 HIS C C 139 175.584 175.584 174.906 0.678 19415 2298 1 5 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.546 -0.416 19415 2299 1 5 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.311 -1.365 19415 2300 1 5 . 1 1 139 139 HIS H H 139 8.365 8.365 8.386 -0.021 19415 2301 1 5 . 1 1 140 140 ASP N N 140 118.373 118.373 118.489 -0.116 19415 2302 1 5 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.727 0.229 19415 2303 1 5 . 1 1 140 140 ASP C C 140 174.258 174.258 175.106 -0.848 19415 2304 1 5 . 1 1 140 140 ASP CA C 140 54.319 54.319 53.234 1.085 19415 2305 1 5 . 1 1 140 140 ASP CB C 140 42.317 42.317 40.106 2.211 19415 2306 1 5 . 1 1 140 140 ASP H H 140 8.082 8.082 8.261 -0.179 19415 2307 1 5 . 1 1 141 141 ARG N N 141 121.880 121.880 122.105 -0.225 19415 2308 1 5 . 1 1 141 141 ARG HA H 141 3.616 3.616 4.104 -0.488 19415 2309 1 5 . 1 1 141 141 ARG C C 141 173.939 173.939 173.962 -0.023 19415 2310 1 5 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.882 -1.160 19415 2311 1 5 . 1 1 141 141 ARG CB C 141 29.423 29.423 30.202 -0.779 19415 2312 1 5 . 1 1 141 141 ARG H H 141 7.120 7.120 7.610 -0.490 19415 2313 1 5 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.353 -0.103 19415 2314 1 5 . 1 1 142 142 PRO C C 142 176.688 176.688 176.808 -0.120 19415 2315 1 5 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.752 -0.053 19415 2316 1 5 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.895 -0.646 19415 2317 1 5 . 1 1 143 143 THR N N 143 115.472 115.472 114.944 0.528 19415 2318 1 5 . 1 1 143 143 THR HA H 143 3.924 3.924 4.237 -0.313 19415 2319 1 5 . 1 1 143 143 THR C C 143 174.890 174.890 174.763 0.127 19415 2320 1 5 . 1 1 143 143 THR CA C 143 63.099 63.099 62.548 0.551 19415 2321 1 5 . 1 1 143 143 THR CB C 143 69.197 69.197 68.966 0.231 19415 2322 1 5 . 1 1 143 143 THR H H 143 8.015 8.015 8.190 -0.175 19415 2323 1 5 . 1 1 144 144 ALA N N 144 124.502 124.502 124.610 -0.108 19415 2324 1 5 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.380 -0.180 19415 2325 1 5 . 1 1 144 144 ALA C C 144 177.656 177.656 176.944 0.712 19415 2326 1 5 . 1 1 144 144 ALA CA C 144 52.807 52.807 52.501 0.306 19415 2327 1 5 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.963 0.042 19415 2328 1 5 . 1 1 144 144 ALA H H 144 8.130 8.130 7.533 0.597 19415 2329 1 5 . 1 1 145 145 LEU N N 145 119.506 119.506 120.922 -1.416 19415 2330 1 5 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.335 -0.059 19415 2331 1 5 . 1 1 145 145 LEU C C 145 177.574 177.574 175.280 2.294 19415 2332 1 5 . 1 1 145 145 LEU CA C 145 55.067 55.067 55.624 -0.557 19415 2333 1 5 . 1 1 145 145 LEU CB C 145 42.231 42.231 40.679 1.552 19415 2334 1 5 . 1 1 145 145 LEU H H 145 7.897 7.897 8.097 -0.200 19415 2335 1 5 . 1 1 146 146 ILE N N 146 120.683 120.683 118.776 1.907 19415 2336 1 5 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.346 -0.291 19415 2337 1 5 . 1 1 146 146 ILE C C 146 176.259 176.259 175.003 1.256 19415 2338 1 5 . 1 1 146 146 ILE CA C 146 61.486 61.486 59.022 2.464 19415 2339 1 5 . 1 1 146 146 ILE CB C 146 38.629 38.629 40.669 -2.040 19415 2340 1 5 . 1 1 146 146 ILE H H 146 7.842 7.842 7.556 0.286 19415 2341 1 5 . 1 1 405 405 ALA N N 405 133.214 133.214 128.409 4.805 19415 2342 1 5 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.303 0.168 19415 2343 1 5 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.416 -0.598 19415 2344 1 5 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.836 -1.789 19415 2345 1 5 . 1 1 405 405 ALA H H 405 9.651 9.651 8.916 0.735 19415 2346 1 5 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.277 0.310 19415 2347 1 5 . 1 1 406 406 PRO C C 406 174.175 174.175 176.713 -2.538 19415 2348 1 5 . 1 1 406 406 PRO CA C 406 61.942 61.942 65.038 -3.096 19415 2349 1 5 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.231 0.758 19415 2350 1 5 . 1 1 407 407 PHE N N 407 113.077 113.077 113.179 -0.102 19415 2351 1 5 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.579 -0.075 19415 2352 1 5 . 1 1 407 407 PHE C C 407 174.954 174.954 172.802 2.152 19415 2353 1 5 . 1 1 407 407 PHE CA C 407 57.263 57.263 56.136 1.127 19415 2354 1 5 . 1 1 407 407 PHE CB C 407 38.318 38.318 41.067 -2.749 19415 2355 1 5 . 1 1 407 407 PHE H H 407 7.899 7.899 7.620 0.279 19415 2356 1 5 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.617 0.136 19415 2357 1 5 . 1 1 408 408 PRO C C 408 175.865 175.865 175.071 0.794 19415 2358 1 5 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.254 0.672 19415 2359 1 5 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.120 2.337 19415 2360 1 5 . 1 1 409 409 GLU N N 409 119.349 119.349 123.989 -4.640 19415 2361 1 5 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.649 0.074 19415 2362 1 5 . 1 1 409 409 GLU C C 409 174.291 174.291 175.033 -0.742 19415 2363 1 5 . 1 1 409 409 GLU CA C 409 54.180 54.180 53.679 0.501 19415 2364 1 5 . 1 1 409 409 GLU CB C 409 34.429 34.429 32.540 1.889 19415 2365 1 5 . 1 1 409 409 GLU H H 409 8.813 8.813 8.730 0.083 19415 2366 1 5 . 1 1 410 410 ALA N N 410 124.017 124.017 122.985 1.032 19415 2367 1 5 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.721 -0.390 19415 2368 1 5 . 1 1 410 410 ALA C C 410 178.181 178.181 177.310 0.871 19415 2369 1 5 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.204 0.037 19415 2370 1 5 . 1 1 410 410 ALA CB C 410 19.102 19.102 18.597 0.505 19415 2371 1 5 . 1 1 410 410 ALA H H 410 8.562 8.562 8.432 0.130 19415 2372 1 5 . 1 1 411 411 ALA N N 411 124.837 124.837 128.340 -3.503 19415 2373 1 5 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.473 -0.544 19415 2374 1 5 . 1 1 411 411 ALA C C 411 178.042 178.042 176.903 1.139 19415 2375 1 5 . 1 1 411 411 ALA CA C 411 54.247 54.247 50.907 3.340 19415 2376 1 5 . 1 1 411 411 ALA CB C 411 18.730 18.730 20.337 -1.607 19415 2377 1 5 . 1 1 411 411 ALA H H 411 8.475 8.475 8.196 0.279 19415 2378 1 5 . 1 1 412 412 LEU N N 412 119.893 119.893 120.376 -0.483 19415 2379 1 5 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.352 0.356 19415 2380 1 5 . 1 1 412 412 LEU C C 412 174.281 174.281 175.309 -1.028 19415 2381 1 5 . 1 1 412 412 LEU CA C 412 52.130 52.130 53.481 -1.351 19415 2382 1 5 . 1 1 412 412 LEU CB C 412 42.645 42.645 40.798 1.847 19415 2383 1 5 . 1 1 412 412 LEU H H 412 8.075 8.075 8.126 -0.051 19415 2384 1 5 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.570 -0.117 19415 2385 1 5 . 1 1 413 413 PRO C C 413 177.094 177.094 177.199 -0.105 19415 2386 1 5 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.596 0.405 19415 2387 1 5 . 1 1 413 413 PRO CB C 413 32.179 32.179 31.987 0.192 19415 2388 1 5 . 1 1 414 414 THR N N 414 114.256 114.256 117.555 -3.299 19415 2389 1 5 . 1 1 414 414 THR HA H 414 4.294 4.294 4.528 -0.234 19415 2390 1 5 . 1 1 414 414 THR C C 414 174.480 174.480 174.798 -0.318 19415 2391 1 5 . 1 1 414 414 THR CA C 414 61.757 61.757 61.926 -0.169 19415 2392 1 5 . 1 1 414 414 THR CB C 414 69.712 69.712 70.702 -0.990 19415 2393 1 5 . 1 1 414 414 THR H H 414 8.177 8.177 8.205 -0.028 19415 2394 1 5 . 1 1 415 415 SER N N 415 117.918 117.918 116.293 1.625 19415 2395 1 5 . 1 1 415 415 SER HA H 415 4.424 4.424 4.087 0.337 19415 2396 1 5 . 1 1 415 415 SER C C 415 173.689 173.689 173.644 0.045 19415 2397 1 5 . 1 1 415 415 SER CA C 415 58.072 58.072 59.928 -1.856 19415 2398 1 5 . 1 1 415 415 SER CB C 415 63.852 63.852 62.687 1.165 19415 2399 1 5 . 1 1 415 415 SER H H 415 8.193 8.193 8.402 -0.209 19415 2400 1 5 . 1 1 416 416 HIS N N 416 121.537 121.537 121.509 0.028 19415 2401 1 5 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.850 0.092 19415 2402 1 5 . 1 1 416 416 HIS C C 416 172.547 172.547 172.995 -0.448 19415 2403 1 5 . 1 1 416 416 HIS CA C 416 53.702 53.702 53.223 0.479 19415 2404 1 5 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.353 -0.891 19415 2405 1 5 . 1 1 416 416 HIS H H 416 8.373 8.373 8.443 -0.070 19415 2406 1 5 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.573 -0.152 19415 2407 1 5 . 1 1 417 417 PRO C C 417 176.060 176.060 176.359 -0.299 19415 2408 1 5 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.964 0.484 19415 2409 1 5 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.512 -0.353 19415 2410 1 5 . 1 1 902 902 GLY N N 902 108.524 108.524 107.798 0.726 19415 2411 1 5 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.861 0.498 19415 2412 1 5 . 1 1 902 902 GLY H H 902 8.196 8.196 8.415 -0.219 19415 2413 1 5 . 1 1 903 903 SER N N 903 115.821 115.821 117.075 -1.254 19415 2414 1 5 . 1 1 903 903 SER HA H 903 4.403 4.403 4.524 -0.121 19415 2415 1 5 . 1 1 903 903 SER CA C 903 58.602 58.602 57.978 0.624 19415 2416 1 5 . 1 1 903 903 SER CB C 903 63.762 63.762 62.997 0.765 19415 2417 1 5 . 1 1 903 903 SER H H 903 8.354 8.354 7.715 0.639 19415 2418 1 5 . 1 1 904 904 GLY N N 904 110.847 110.847 111.966 -1.119 19415 2419 1 5 . 1 1 904 904 GLY C C 904 174.889 174.889 175.589 -0.700 19415 2420 1 5 . 1 1 904 904 GLY CA C 904 45.594 45.594 45.507 0.087 19415 2421 1 5 . 1 1 904 904 GLY H H 904 8.558 8.558 8.287 0.271 19415 2422 1 5 . 1 1 905 905 GLY N N 905 108.922 108.922 111.210 -2.288 19415 2423 1 5 . 1 1 905 905 GLY C C 905 174.452 174.452 174.491 -0.039 19415 2424 1 5 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.728 0.821 19415 2425 1 5 . 1 1 905 905 GLY H H 905 8.307 8.307 7.953 0.354 19415 2426 1 5 . 1 1 906 906 SER N N 906 115.224 115.224 116.378 -1.154 19415 2427 1 5 . 1 1 906 906 SER HA H 906 4.552 4.552 4.434 0.118 19415 2428 1 5 . 1 1 906 906 SER C C 906 175.108 175.108 175.151 -0.043 19415 2429 1 5 . 1 1 906 906 SER CA C 906 58.647 58.647 58.612 0.035 19415 2430 1 5 . 1 1 906 906 SER CB C 906 64.091 64.091 64.273 -0.182 19415 2431 1 5 . 1 1 906 906 SER H H 906 8.362 8.362 7.807 0.555 19415 2432 1 5 . 1 1 907 907 GLY N N 907 110.875 110.875 109.487 1.388 19415 2433 1 5 . 1 1 907 907 GLY C C 907 173.335 173.335 173.119 0.216 19415 2434 1 5 . 1 1 907 907 GLY CA C 907 45.010 45.010 43.915 1.095 19415 2435 1 5 . 1 1 907 907 GLY H H 907 8.437 8.437 7.403 1.034 19415 2436 1 6 . 1 1 78 78 ILE N N 78 124.415 124.415 120.623 3.792 19415 2437 1 6 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.550 -0.508 19415 2438 1 6 . 1 1 78 78 ILE C C 78 175.260 175.260 176.254 -0.994 19415 2439 1 6 . 1 1 78 78 ILE CA C 78 60.727 60.727 60.682 0.045 19415 2440 1 6 . 1 1 78 78 ILE CB C 78 38.922 38.922 37.489 1.433 19415 2441 1 6 . 1 1 78 78 ILE H H 78 8.025 8.025 7.872 0.153 19415 2442 1 6 . 1 1 79 79 ARG N N 79 125.999 125.999 127.106 -1.107 19415 2443 1 6 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.301 -0.086 19415 2444 1 6 . 1 1 79 79 ARG C C 79 175.494 175.494 176.671 -1.177 19415 2445 1 6 . 1 1 79 79 ARG CA C 79 55.856 55.856 57.943 -2.087 19415 2446 1 6 . 1 1 79 79 ARG CB C 79 30.774 30.774 30.651 0.123 19415 2447 1 6 . 1 1 79 79 ARG H H 79 8.249 8.249 8.685 -0.436 19415 2448 1 6 . 1 1 80 80 LEU N N 80 124.427 124.427 118.798 5.629 19415 2449 1 6 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.373 -0.081 19415 2450 1 6 . 1 1 80 80 LEU C C 80 176.785 176.785 175.803 0.982 19415 2451 1 6 . 1 1 80 80 LEU CA C 80 54.820 54.820 54.569 0.251 19415 2452 1 6 . 1 1 80 80 LEU CB C 80 42.520 42.520 42.168 0.352 19415 2453 1 6 . 1 1 80 80 LEU H H 80 8.190 8.190 8.078 0.112 19415 2454 1 6 . 1 1 81 81 PHE N N 81 120.462 120.462 119.833 0.629 19415 2455 1 6 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.114 0.510 19415 2456 1 6 . 1 1 81 81 PHE C C 81 176.212 176.212 175.889 0.323 19415 2457 1 6 . 1 1 81 81 PHE CA C 81 57.570 57.570 58.419 -0.849 19415 2458 1 6 . 1 1 81 81 PHE CB C 81 39.802 39.802 37.109 2.693 19415 2459 1 6 . 1 1 81 81 PHE H H 81 8.244 8.244 7.574 0.670 19415 2460 1 6 . 1 1 82 82 GLY N N 82 110.003 110.003 110.438 -0.435 19415 2461 1 6 . 1 1 82 82 GLY C C 82 173.730 173.730 174.206 -0.476 19415 2462 1 6 . 1 1 82 82 GLY CA C 82 45.415 45.415 45.352 0.063 19415 2463 1 6 . 1 1 82 82 GLY H H 82 8.351 8.351 8.886 -0.535 19415 2464 1 6 . 1 1 83 83 ASN N N 83 118.840 118.840 117.008 1.832 19415 2465 1 6 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.482 0.312 19415 2466 1 6 . 1 1 83 83 ASN C C 83 175.312 175.312 175.159 0.153 19415 2467 1 6 . 1 1 83 83 ASN CA C 83 52.996 52.996 53.793 -0.797 19415 2468 1 6 . 1 1 83 83 ASN CB C 83 39.137 39.137 38.368 0.769 19415 2469 1 6 . 1 1 83 83 ASN H H 83 8.325 8.325 7.834 0.491 19415 2470 1 6 . 1 1 84 84 SER N N 84 116.555 116.555 114.495 2.060 19415 2471 1 6 . 1 1 84 84 SER CA C 84 58.823 58.823 59.756 -0.933 19415 2472 1 6 . 1 1 84 84 SER CB C 84 63.887 63.887 64.743 -0.856 19415 2473 1 6 . 1 1 84 84 SER H H 84 8.463 8.463 7.944 0.519 19415 2474 1 6 . 1 1 85 85 GLY N N 85 109.826 109.826 109.120 0.706 19415 2475 1 6 . 1 1 85 85 GLY C C 85 172.709 172.709 171.913 0.796 19415 2476 1 6 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.357 -0.204 19415 2477 1 6 . 1 1 85 85 GLY H H 85 8.341 8.341 7.794 0.547 19415 2478 1 6 . 1 1 86 86 ALA N N 86 122.100 122.100 122.493 -0.393 19415 2479 1 6 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.745 -0.298 19415 2480 1 6 . 1 1 86 86 ALA C C 86 175.383 175.383 175.436 -0.053 19415 2481 1 6 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.685 -0.162 19415 2482 1 6 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.679 -0.967 19415 2483 1 6 . 1 1 86 86 ALA H H 86 7.703 7.703 7.928 -0.225 19415 2484 1 6 . 1 1 87 87 CYS N N 87 121.922 121.922 118.419 3.503 19415 2485 1 6 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.804 -0.607 19415 2486 1 6 . 1 1 87 87 CYS C C 87 178.454 178.454 175.482 2.972 19415 2487 1 6 . 1 1 87 87 CYS CA C 87 58.515 58.515 56.344 2.171 19415 2488 1 6 . 1 1 87 87 CYS CB C 87 31.600 31.600 29.837 1.763 19415 2489 1 6 . 1 1 87 87 CYS H H 87 7.968 7.968 8.287 -0.319 19415 2490 1 6 . 1 1 88 88 SER N N 88 126.804 126.804 120.031 6.773 19415 2491 1 6 . 1 1 88 88 SER HA H 88 4.174 4.174 4.421 -0.247 19415 2492 1 6 . 1 1 88 88 SER C C 88 173.647 173.647 174.537 -0.890 19415 2493 1 6 . 1 1 88 88 SER CA C 88 62.158 62.158 60.103 2.055 19415 2494 1 6 . 1 1 88 88 SER CB C 88 63.401 63.401 62.860 0.541 19415 2495 1 6 . 1 1 88 88 SER H H 88 9.202 9.202 8.535 0.667 19415 2496 1 6 . 1 1 89 89 ALA N N 89 123.763 123.763 123.687 0.076 19415 2497 1 6 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.424 0.412 19415 2498 1 6 . 1 1 89 89 ALA C C 89 178.007 178.007 178.489 -0.482 19415 2499 1 6 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.878 0.055 19415 2500 1 6 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.378 1.867 19415 2501 1 6 . 1 1 89 89 ALA H H 89 8.964 8.964 8.031 0.933 19415 2502 1 6 . 1 1 90 90 CYS N N 90 115.099 115.099 114.023 1.076 19415 2503 1 6 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.859 0.173 19415 2504 1 6 . 1 1 90 90 CYS C C 90 177.164 177.164 176.491 0.673 19415 2505 1 6 . 1 1 90 90 CYS CA C 90 58.754 58.754 58.747 0.007 19415 2506 1 6 . 1 1 90 90 CYS CB C 90 31.688 31.688 29.686 2.002 19415 2507 1 6 . 1 1 90 90 CYS H H 90 8.078 8.078 8.050 0.028 19415 2508 1 6 . 1 1 91 91 GLY N N 91 112.869 112.869 110.368 2.501 19415 2509 1 6 . 1 1 91 91 GLY C C 91 173.725 173.725 173.935 -0.210 19415 2510 1 6 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.127 1.176 19415 2511 1 6 . 1 1 91 91 GLY H H 91 7.996 7.996 8.151 -0.155 19415 2512 1 6 . 1 1 92 92 GLN N N 92 119.848 119.848 120.293 -0.445 19415 2513 1 6 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.473 0.102 19415 2514 1 6 . 1 1 92 92 GLN C C 92 176.015 176.015 176.367 -0.352 19415 2515 1 6 . 1 1 92 92 GLN CA C 92 54.954 54.954 55.587 -0.633 19415 2516 1 6 . 1 1 92 92 GLN CB C 92 30.026 30.026 30.479 -0.453 19415 2517 1 6 . 1 1 92 92 GLN H H 92 8.341 8.341 7.696 0.645 19415 2518 1 6 . 1 1 93 93 SER N N 93 116.734 116.734 115.397 1.337 19415 2519 1 6 . 1 1 93 93 SER C C 93 173.776 173.776 174.899 -1.123 19415 2520 1 6 . 1 1 93 93 SER CA C 93 59.491 59.491 58.944 0.547 19415 2521 1 6 . 1 1 93 93 SER CB C 93 63.707 63.707 63.797 -0.090 19415 2522 1 6 . 1 1 93 93 SER H H 93 8.656 8.656 8.575 0.081 19415 2523 1 6 . 1 1 94 94 ILE N N 94 126.045 126.045 121.722 4.323 19415 2524 1 6 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.890 -0.548 19415 2525 1 6 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.478 0.047 19415 2526 1 6 . 1 1 94 94 ILE CB C 94 39.907 39.907 38.980 0.927 19415 2527 1 6 . 1 1 94 94 ILE H H 94 8.281 8.281 8.553 -0.272 19415 2528 1 6 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.667 -0.194 19415 2529 1 6 . 1 1 95 95 PRO C C 95 176.605 176.605 177.738 -1.133 19415 2530 1 6 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.009 0.843 19415 2531 1 6 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.231 0.560 19415 2532 1 6 . 1 1 96 96 ALA N N 96 122.591 122.591 124.350 -1.759 19415 2533 1 6 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.164 -0.164 19415 2534 1 6 . 1 1 96 96 ALA C C 96 177.763 177.763 177.608 0.155 19415 2535 1 6 . 1 1 96 96 ALA CA C 96 54.605 54.605 54.002 0.603 19415 2536 1 6 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.415 0.691 19415 2537 1 6 . 1 1 96 96 ALA H H 96 8.400 8.400 8.636 -0.237 19415 2538 1 6 . 1 1 97 97 SER N N 97 107.288 107.288 111.820 -4.532 19415 2539 1 6 . 1 1 97 97 SER HA H 97 4.270 4.270 4.415 -0.145 19415 2540 1 6 . 1 1 97 97 SER C C 97 174.625 174.625 174.615 0.010 19415 2541 1 6 . 1 1 97 97 SER CA C 97 58.532 58.532 58.384 0.148 19415 2542 1 6 . 1 1 97 97 SER CB C 97 63.538 63.538 63.484 0.054 19415 2543 1 6 . 1 1 97 97 SER H H 97 7.796 7.796 8.039 -0.243 19415 2544 1 6 . 1 1 98 98 GLU N N 98 124.231 124.231 122.125 2.106 19415 2545 1 6 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.538 -0.281 19415 2546 1 6 . 1 1 98 98 GLU C C 98 175.476 175.476 174.354 1.122 19415 2547 1 6 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.675 0.846 19415 2548 1 6 . 1 1 98 98 GLU CB C 98 31.081 31.081 31.860 -0.779 19415 2549 1 6 . 1 1 98 98 GLU H H 98 7.649 7.649 7.540 0.109 19415 2550 1 6 . 1 1 99 99 LEU N N 99 122.696 122.696 123.484 -0.788 19415 2551 1 6 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.571 -0.066 19415 2552 1 6 . 1 1 99 99 LEU C C 99 176.253 176.253 175.708 0.545 19415 2553 1 6 . 1 1 99 99 LEU CA C 99 54.635 54.635 54.011 0.624 19415 2554 1 6 . 1 1 99 99 LEU CB C 99 42.967 42.967 43.935 -0.968 19415 2555 1 6 . 1 1 99 99 LEU H H 99 8.250 8.250 8.468 -0.218 19415 2556 1 6 . 1 1 100 100 VAL N N 100 112.933 112.933 116.434 -3.501 19415 2557 1 6 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.655 0.248 19415 2558 1 6 . 1 1 100 100 VAL C C 100 175.544 175.544 175.256 0.288 19415 2559 1 6 . 1 1 100 100 VAL CA C 100 58.747 58.747 58.877 -0.130 19415 2560 1 6 . 1 1 100 100 VAL CB C 100 35.898 35.898 33.070 2.828 19415 2561 1 6 . 1 1 100 100 VAL H H 100 8.934 8.934 8.953 -0.019 19415 2562 1 6 . 1 1 101 101 MET N N 101 116.964 116.964 125.484 -8.520 19415 2563 1 6 . 1 1 101 101 MET HA H 101 4.676 4.676 4.581 0.095 19415 2564 1 6 . 1 1 101 101 MET C C 101 175.197 175.197 174.834 0.363 19415 2565 1 6 . 1 1 101 101 MET CA C 101 52.397 52.397 55.160 -2.763 19415 2566 1 6 . 1 1 101 101 MET CB C 101 34.490 34.490 32.642 1.848 19415 2567 1 6 . 1 1 101 101 MET H H 101 8.299 8.299 8.977 -0.678 19415 2568 1 6 . 1 1 102 102 ARG N N 102 122.278 122.278 125.682 -3.404 19415 2569 1 6 . 1 1 102 102 ARG HA H 102 5.154 5.154 5.135 0.019 19415 2570 1 6 . 1 1 102 102 ARG C C 102 175.008 175.008 174.342 0.666 19415 2571 1 6 . 1 1 102 102 ARG CA C 102 54.850 54.850 54.983 -0.133 19415 2572 1 6 . 1 1 102 102 ARG CB C 102 32.335 32.335 32.469 -0.134 19415 2573 1 6 . 1 1 102 102 ARG H H 102 8.112 8.112 8.443 -0.331 19415 2574 1 6 . 1 1 103 103 ALA N N 103 123.373 123.373 129.175 -5.802 19415 2575 1 6 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.469 0.130 19415 2576 1 6 . 1 1 103 103 ALA C C 103 176.137 176.137 177.574 -1.437 19415 2577 1 6 . 1 1 103 103 ALA CA C 103 52.049 52.049 52.947 -0.898 19415 2578 1 6 . 1 1 103 103 ALA CB C 103 21.835 21.835 18.937 2.898 19415 2579 1 6 . 1 1 103 103 ALA H H 103 8.129 8.129 8.528 -0.399 19415 2580 1 6 . 1 1 104 104 GLN N N 104 120.352 120.352 119.978 0.374 19415 2581 1 6 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.361 -0.559 19415 2582 1 6 . 1 1 104 104 GLN C C 104 175.032 175.032 177.275 -2.243 19415 2583 1 6 . 1 1 104 104 GLN CA C 104 56.385 56.385 57.128 -0.743 19415 2584 1 6 . 1 1 104 104 GLN CB C 104 25.801 25.801 29.424 -3.623 19415 2585 1 6 . 1 1 104 104 GLN H H 104 9.312 9.312 8.352 0.960 19415 2586 1 6 . 1 1 105 105 GLY N N 105 105.580 105.580 106.590 -1.010 19415 2587 1 6 . 1 1 105 105 GLY C C 105 173.414 173.414 174.393 -0.979 19415 2588 1 6 . 1 1 105 105 GLY CA C 105 45.475 45.475 44.532 0.943 19415 2589 1 6 . 1 1 105 105 GLY H H 105 8.493 8.493 8.609 -0.116 19415 2590 1 6 . 1 1 106 106 ASN N N 106 120.347 120.347 118.778 1.569 19415 2591 1 6 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.851 -0.031 19415 2592 1 6 . 1 1 106 106 ASN C C 106 174.060 174.060 173.350 0.710 19415 2593 1 6 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.295 -0.518 19415 2594 1 6 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.981 0.623 19415 2595 1 6 . 1 1 106 106 ASN H H 106 8.085 8.085 7.900 0.185 19415 2596 1 6 . 1 1 107 107 VAL N N 107 118.992 118.992 114.505 4.487 19415 2597 1 6 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.785 -0.011 19415 2598 1 6 . 1 1 107 107 VAL C C 107 173.066 173.066 173.462 -0.396 19415 2599 1 6 . 1 1 107 107 VAL CA C 107 60.576 60.576 59.897 0.679 19415 2600 1 6 . 1 1 107 107 VAL CB C 107 34.475 34.475 34.472 0.003 19415 2601 1 6 . 1 1 107 107 VAL H H 107 8.207 8.207 8.010 0.197 19415 2602 1 6 . 1 1 108 108 TYR N N 108 121.397 121.397 119.793 1.604 19415 2603 1 6 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.790 1.140 19415 2604 1 6 . 1 1 108 108 TYR C C 108 177.709 177.709 174.815 2.894 19415 2605 1 6 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.299 -0.297 19415 2606 1 6 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.234 0.704 19415 2607 1 6 . 1 1 108 108 TYR H H 108 8.681 8.681 8.558 0.123 19415 2608 1 6 . 1 1 109 109 HIS N N 109 120.399 120.399 119.344 1.055 19415 2609 1 6 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.539 0.218 19415 2610 1 6 . 1 1 109 109 HIS C C 109 178.297 178.297 176.520 1.777 19415 2611 1 6 . 1 1 109 109 HIS CA C 109 59.269 59.269 57.516 1.753 19415 2612 1 6 . 1 1 109 109 HIS CB C 109 31.439 31.439 30.773 0.666 19415 2613 1 6 . 1 1 109 109 HIS H H 109 8.681 8.681 8.719 -0.038 19415 2614 1 6 . 1 1 110 110 LEU N N 110 124.629 124.629 119.521 5.108 19415 2615 1 6 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.118 -0.236 19415 2616 1 6 . 1 1 110 110 LEU C C 110 180.956 180.956 178.295 2.661 19415 2617 1 6 . 1 1 110 110 LEU CA C 110 60.072 60.072 58.020 2.051 19415 2618 1 6 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.399 -1.917 19415 2619 1 6 . 1 1 110 110 LEU H H 110 8.924 8.924 8.696 0.228 19415 2620 1 6 . 1 1 111 111 LYS N N 111 112.542 112.542 114.316 -1.774 19415 2621 1 6 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.279 -0.283 19415 2622 1 6 . 1 1 111 111 LYS C C 111 176.711 176.711 176.373 0.338 19415 2623 1 6 . 1 1 111 111 LYS CA C 111 57.937 57.937 57.624 0.312 19415 2624 1 6 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.454 0.255 19415 2625 1 6 . 1 1 111 111 LYS H H 111 8.586 8.586 8.361 0.225 19415 2626 1 6 . 1 1 112 112 CYS N N 112 117.897 117.897 116.733 1.164 19415 2627 1 6 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.870 -0.478 19415 2628 1 6 . 1 1 112 112 CYS C C 112 173.923 173.923 175.275 -1.352 19415 2629 1 6 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.728 1.527 19415 2630 1 6 . 1 1 112 112 CYS CB C 112 31.434 31.434 28.000 3.434 19415 2631 1 6 . 1 1 112 112 CYS H H 112 7.439 7.439 7.961 -0.522 19415 2632 1 6 . 1 1 113 113 PHE N N 113 126.150 126.150 125.512 0.638 19415 2633 1 6 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.432 -0.351 19415 2634 1 6 . 1 1 113 113 PHE C C 113 172.777 172.777 173.561 -0.784 19415 2635 1 6 . 1 1 113 113 PHE CA C 113 57.131 57.131 56.624 0.507 19415 2636 1 6 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.104 -0.295 19415 2637 1 6 . 1 1 113 113 PHE H H 113 7.467 7.467 8.325 -0.858 19415 2638 1 6 . 1 1 114 114 THR N N 114 112.302 112.302 112.628 -0.326 19415 2639 1 6 . 1 1 114 114 THR HA H 114 4.577 4.577 5.319 -0.742 19415 2640 1 6 . 1 1 114 114 THR C C 114 172.592 172.592 174.020 -1.428 19415 2641 1 6 . 1 1 114 114 THR CA C 114 57.922 57.922 59.118 -1.196 19415 2642 1 6 . 1 1 114 114 THR CB C 114 72.187 72.187 72.153 0.034 19415 2643 1 6 . 1 1 114 114 THR H H 114 6.895 6.895 7.945 -1.050 19415 2644 1 6 . 1 1 115 115 CYS N N 115 121.388 121.388 118.658 2.730 19415 2645 1 6 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.542 -0.752 19415 2646 1 6 . 1 1 115 115 CYS C C 115 177.309 177.309 176.476 0.833 19415 2647 1 6 . 1 1 115 115 CYS CA C 115 59.284 59.284 57.251 2.033 19415 2648 1 6 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.356 3.265 19415 2649 1 6 . 1 1 115 115 CYS H H 115 7.981 7.981 8.230 -0.249 19415 2650 1 6 . 1 1 116 116 SER N N 116 127.333 127.333 117.646 9.687 19415 2651 1 6 . 1 1 116 116 SER HA H 116 4.066 4.066 4.469 -0.403 19415 2652 1 6 . 1 1 116 116 SER C C 116 174.522 174.522 175.387 -0.865 19415 2653 1 6 . 1 1 116 116 SER CA C 116 61.507 61.507 60.390 1.117 19415 2654 1 6 . 1 1 116 116 SER CB C 116 63.619 63.619 62.674 0.945 19415 2655 1 6 . 1 1 116 116 SER H H 116 9.064 9.064 8.471 0.593 19415 2656 1 6 . 1 1 117 117 THR N N 117 121.020 121.020 115.715 5.305 19415 2657 1 6 . 1 1 117 117 THR HA H 117 4.384 4.384 4.424 -0.040 19415 2658 1 6 . 1 1 117 117 THR C C 117 174.713 174.713 175.147 -0.434 19415 2659 1 6 . 1 1 117 117 THR CA C 117 65.378 65.378 64.082 1.296 19415 2660 1 6 . 1 1 117 117 THR CB C 117 69.656 69.656 69.329 0.327 19415 2661 1 6 . 1 1 117 117 THR H H 117 8.939 8.939 8.546 0.393 19415 2662 1 6 . 1 1 118 118 CYS N N 118 120.215 120.215 116.997 3.218 19415 2663 1 6 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.898 -0.550 19415 2664 1 6 . 1 1 118 118 CYS C C 118 176.041 176.041 174.041 2.000 19415 2665 1 6 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.554 1.933 19415 2666 1 6 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.629 0.195 19415 2667 1 6 . 1 1 118 118 CYS H H 118 8.180 8.180 7.742 0.438 19415 2668 1 6 . 1 1 119 119 ARG N N 119 114.664 114.664 118.937 -4.273 19415 2669 1 6 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.080 0.031 19415 2670 1 6 . 1 1 119 119 ARG C C 119 174.910 174.910 174.811 0.099 19415 2671 1 6 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.486 1.087 19415 2672 1 6 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.642 -1.284 19415 2673 1 6 . 1 1 119 119 ARG H H 119 7.545 7.545 8.079 -0.534 19415 2674 1 6 . 1 1 120 120 ASN N N 120 118.962 118.962 118.374 0.588 19415 2675 1 6 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.625 0.127 19415 2676 1 6 . 1 1 120 120 ASN C C 120 175.950 175.950 174.878 1.072 19415 2677 1 6 . 1 1 120 120 ASN CA C 120 53.504 53.504 52.804 0.700 19415 2678 1 6 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.765 -0.467 19415 2679 1 6 . 1 1 120 120 ASN H H 120 8.232 8.232 8.109 0.123 19415 2680 1 6 . 1 1 121 121 ARG N N 121 122.104 122.104 125.884 -3.780 19415 2681 1 6 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.398 -0.413 19415 2682 1 6 . 1 1 121 121 ARG C C 121 175.638 175.638 176.043 -0.405 19415 2683 1 6 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.343 0.841 19415 2684 1 6 . 1 1 121 121 ARG CB C 121 30.567 30.567 29.890 0.677 19415 2685 1 6 . 1 1 121 121 ARG H H 121 8.603 8.603 8.453 0.150 19415 2686 1 6 . 1 1 122 122 LEU N N 122 127.225 127.225 128.644 -1.419 19415 2687 1 6 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.268 0.261 19415 2688 1 6 . 1 1 122 122 LEU C C 122 175.345 175.345 175.811 -0.466 19415 2689 1 6 . 1 1 122 122 LEU CA C 122 53.827 53.827 54.963 -1.136 19415 2690 1 6 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.255 -0.684 19415 2691 1 6 . 1 1 122 122 LEU H H 122 8.094 8.094 8.356 -0.262 19415 2692 1 6 . 1 1 123 123 VAL N N 123 121.030 121.030 117.579 3.451 19415 2693 1 6 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.585 -0.110 19415 2694 1 6 . 1 1 123 123 VAL C C 123 173.190 173.190 173.842 -0.652 19415 2695 1 6 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.200 0.831 19415 2696 1 6 . 1 1 123 123 VAL CB C 123 31.454 31.454 33.250 -1.796 19415 2697 1 6 . 1 1 123 123 VAL H H 123 8.416 8.416 8.093 0.323 19415 2698 1 6 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.411 -0.771 19415 2699 1 6 . 1 1 124 124 PRO C C 124 177.425 177.425 177.201 0.224 19415 2700 1 6 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.272 0.760 19415 2701 1 6 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.413 0.822 19415 2702 1 6 . 1 1 125 125 GLY N N 125 113.120 113.120 112.816 0.304 19415 2703 1 6 . 1 1 125 125 GLY C C 125 174.384 174.384 173.942 0.442 19415 2704 1 6 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.892 0.211 19415 2705 1 6 . 1 1 125 125 GLY H H 125 8.574 8.574 8.394 0.180 19415 2706 1 6 . 1 1 126 126 ASP N N 126 122.488 122.488 120.068 2.420 19415 2707 1 6 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.990 -0.267 19415 2708 1 6 . 1 1 126 126 ASP C C 126 176.558 176.558 174.718 1.840 19415 2709 1 6 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.650 1.674 19415 2710 1 6 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.485 -1.883 19415 2711 1 6 . 1 1 126 126 ASP H H 126 8.476 8.476 8.135 0.341 19415 2712 1 6 . 1 1 127 127 ARG N N 127 122.074 122.074 119.482 2.592 19415 2713 1 6 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.081 -0.034 19415 2714 1 6 . 1 1 127 127 ARG C C 127 175.671 175.671 175.275 0.396 19415 2715 1 6 . 1 1 127 127 ARG CA C 127 55.559 55.559 56.164 -0.605 19415 2716 1 6 . 1 1 127 127 ARG CB C 127 30.862 30.862 32.481 -1.619 19415 2717 1 6 . 1 1 127 127 ARG H H 127 8.697 8.697 8.521 0.176 19415 2718 1 6 . 1 1 128 128 PHE N N 128 120.179 120.179 121.388 -1.209 19415 2719 1 6 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.938 0.256 19415 2720 1 6 . 1 1 128 128 PHE C C 128 171.304 171.304 172.810 -1.506 19415 2721 1 6 . 1 1 128 128 PHE CA C 128 55.427 55.427 55.748 -0.321 19415 2722 1 6 . 1 1 128 128 PHE CB C 128 43.513 43.513 41.921 1.592 19415 2723 1 6 . 1 1 128 128 PHE H H 128 8.869 8.869 9.237 -0.368 19415 2724 1 6 . 1 1 129 129 HIS N N 129 118.586 118.586 119.732 -1.146 19415 2725 1 6 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.619 0.062 19415 2726 1 6 . 1 1 129 129 HIS C C 129 173.764 173.764 172.882 0.882 19415 2727 1 6 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.750 0.060 19415 2728 1 6 . 1 1 129 129 HIS CB C 129 34.983 34.983 33.312 1.671 19415 2729 1 6 . 1 1 129 129 HIS H H 129 9.292 9.292 8.950 0.342 19415 2730 1 6 . 1 1 130 130 TYR N N 130 125.995 125.995 128.400 -2.405 19415 2731 1 6 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.466 0.253 19415 2732 1 6 . 1 1 130 130 TYR C C 130 174.625 174.625 174.558 0.067 19415 2733 1 6 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.662 -0.480 19415 2734 1 6 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.132 1.147 19415 2735 1 6 . 1 1 130 130 TYR H H 130 8.865 8.865 8.390 0.475 19415 2736 1 6 . 1 1 131 131 ILE N N 131 126.610 126.610 127.221 -0.611 19415 2737 1 6 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.321 0.002 19415 2738 1 6 . 1 1 131 131 ILE C C 131 175.516 175.516 175.324 0.192 19415 2739 1 6 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.226 -0.499 19415 2740 1 6 . 1 1 131 131 ILE CB C 131 41.170 41.170 39.221 1.949 19415 2741 1 6 . 1 1 131 131 ILE H H 131 8.889 8.889 8.006 0.883 19415 2742 1 6 . 1 1 132 132 ASN N N 132 126.614 126.614 127.627 -1.013 19415 2743 1 6 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.399 -0.038 19415 2744 1 6 . 1 1 132 132 ASN C C 132 175.421 175.421 175.027 0.394 19415 2745 1 6 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.707 0.226 19415 2746 1 6 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.771 -0.431 19415 2747 1 6 . 1 1 132 132 ASN H H 132 9.375 9.375 9.274 0.101 19415 2748 1 6 . 1 1 133 133 GLY N N 133 102.667 102.667 102.525 0.142 19415 2749 1 6 . 1 1 133 133 GLY C C 133 173.969 173.969 173.232 0.737 19415 2750 1 6 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.038 0.357 19415 2751 1 6 . 1 1 133 133 GLY H H 133 7.417 7.417 8.067 -0.650 19415 2752 1 6 . 1 1 134 134 SER N N 134 117.123 117.123 113.990 3.133 19415 2753 1 6 . 1 1 134 134 SER HA H 134 4.743 4.743 4.454 0.289 19415 2754 1 6 . 1 1 134 134 SER C C 134 170.825 170.825 172.338 -1.513 19415 2755 1 6 . 1 1 134 134 SER CA C 134 57.754 57.754 57.021 0.733 19415 2756 1 6 . 1 1 134 134 SER CB C 134 66.060 66.060 65.910 0.150 19415 2757 1 6 . 1 1 134 134 SER H H 134 7.639 7.639 6.978 0.661 19415 2758 1 6 . 1 1 135 135 LEU N N 135 122.242 122.242 123.717 -1.475 19415 2759 1 6 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.824 0.390 19415 2760 1 6 . 1 1 135 135 LEU C C 135 177.735 177.735 174.983 2.752 19415 2761 1 6 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.046 -0.617 19415 2762 1 6 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.659 2.026 19415 2763 1 6 . 1 1 135 135 LEU H H 135 8.236 8.236 8.534 -0.298 19415 2764 1 6 . 1 1 136 136 PHE N N 136 118.689 118.689 119.830 -1.141 19415 2765 1 6 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.086 0.904 19415 2766 1 6 . 1 1 136 136 PHE C C 136 175.971 175.971 175.280 0.691 19415 2767 1 6 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.356 0.548 19415 2768 1 6 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.374 0.955 19415 2769 1 6 . 1 1 136 136 PHE H H 136 9.221 9.221 8.831 0.390 19415 2770 1 6 . 1 1 137 137 CYS N N 137 121.328 121.328 117.461 3.867 19415 2771 1 6 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.123 -0.157 19415 2772 1 6 . 1 1 137 137 CYS C C 137 175.030 175.030 175.597 -0.567 19415 2773 1 6 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.215 1.338 19415 2774 1 6 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.069 -0.844 19415 2775 1 6 . 1 1 137 137 CYS H H 137 9.716 9.716 9.006 0.710 19415 2776 1 6 . 1 1 138 138 GLU N N 138 118.055 118.055 120.115 -2.060 19415 2777 1 6 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.143 -0.000 19415 2778 1 6 . 1 1 138 138 GLU C C 138 178.535 178.535 177.633 0.902 19415 2779 1 6 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.492 0.077 19415 2780 1 6 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.893 0.002 19415 2781 1 6 . 1 1 138 138 GLU H H 138 8.476 8.476 8.948 -0.472 19415 2782 1 6 . 1 1 139 139 HIS N N 139 117.190 117.190 117.094 0.096 19415 2783 1 6 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.422 0.008 19415 2784 1 6 . 1 1 139 139 HIS C C 139 175.584 175.584 176.156 -0.572 19415 2785 1 6 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.170 -0.040 19415 2786 1 6 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.000 -1.054 19415 2787 1 6 . 1 1 139 139 HIS H H 139 8.365 8.365 7.728 0.637 19415 2788 1 6 . 1 1 140 140 ASP N N 140 118.373 118.373 118.900 -0.527 19415 2789 1 6 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.444 0.512 19415 2790 1 6 . 1 1 140 140 ASP C C 140 174.258 174.258 176.543 -2.285 19415 2791 1 6 . 1 1 140 140 ASP CA C 140 54.319 54.319 56.298 -1.979 19415 2792 1 6 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.962 0.355 19415 2793 1 6 . 1 1 140 140 ASP H H 140 8.082 8.082 7.809 0.273 19415 2794 1 6 . 1 1 141 141 ARG N N 141 121.880 121.880 117.312 4.568 19415 2795 1 6 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.295 0.321 19415 2796 1 6 . 1 1 141 141 ARG C C 141 173.939 173.939 173.217 0.722 19415 2797 1 6 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.794 -1.073 19415 2798 1 6 . 1 1 141 141 ARG CB C 141 29.423 29.423 28.840 0.583 19415 2799 1 6 . 1 1 141 141 ARG H H 141 7.120 7.120 7.637 -0.517 19415 2800 1 6 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.227 0.023 19415 2801 1 6 . 1 1 142 142 PRO C C 142 176.688 176.688 176.941 -0.253 19415 2802 1 6 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.668 0.031 19415 2803 1 6 . 1 1 142 142 PRO CB C 142 31.249 31.249 30.198 1.051 19415 2804 1 6 . 1 1 143 143 THR N N 143 115.472 115.472 120.080 -4.608 19415 2805 1 6 . 1 1 143 143 THR HA H 143 3.924 3.924 4.146 -0.222 19415 2806 1 6 . 1 1 143 143 THR C C 143 174.890 174.890 173.650 1.240 19415 2807 1 6 . 1 1 143 143 THR CA C 143 63.099 63.099 62.471 0.627 19415 2808 1 6 . 1 1 143 143 THR CB C 143 69.197 69.197 67.133 2.064 19415 2809 1 6 . 1 1 143 143 THR H H 143 8.015 8.015 8.030 -0.015 19415 2810 1 6 . 1 1 144 144 ALA N N 144 124.502 124.502 125.811 -1.309 19415 2811 1 6 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.447 -0.247 19415 2812 1 6 . 1 1 144 144 ALA C C 144 177.656 177.656 176.981 0.675 19415 2813 1 6 . 1 1 144 144 ALA CA C 144 52.807 52.807 52.824 -0.017 19415 2814 1 6 . 1 1 144 144 ALA CB C 144 19.005 19.005 20.372 -1.367 19415 2815 1 6 . 1 1 144 144 ALA H H 144 8.130 8.130 8.592 -0.462 19415 2816 1 6 . 1 1 145 145 LEU N N 145 119.506 119.506 121.576 -2.070 19415 2817 1 6 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.440 -0.164 19415 2818 1 6 . 1 1 145 145 LEU C C 145 177.574 177.574 175.886 1.688 19415 2819 1 6 . 1 1 145 145 LEU CA C 145 55.067 55.067 53.882 1.185 19415 2820 1 6 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.285 -0.054 19415 2821 1 6 . 1 1 145 145 LEU H H 145 7.897 7.897 8.164 -0.267 19415 2822 1 6 . 1 1 146 146 ILE N N 146 120.683 120.683 115.229 5.454 19415 2823 1 6 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.219 -0.164 19415 2824 1 6 . 1 1 146 146 ILE C C 146 176.259 176.259 175.988 0.271 19415 2825 1 6 . 1 1 146 146 ILE CA C 146 61.486 61.486 60.247 1.239 19415 2826 1 6 . 1 1 146 146 ILE CB C 146 38.629 38.629 38.746 -0.117 19415 2827 1 6 . 1 1 146 146 ILE H H 146 7.842 7.842 7.440 0.402 19415 2828 1 6 . 1 1 405 405 ALA N N 405 133.214 133.214 129.344 3.870 19415 2829 1 6 . 1 1 405 405 ALA HA H 405 4.471 4.471 3.515 0.956 19415 2830 1 6 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.004 -0.186 19415 2831 1 6 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.539 -1.492 19415 2832 1 6 . 1 1 405 405 ALA H H 405 9.651 9.651 8.531 1.120 19415 2833 1 6 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.362 0.225 19415 2834 1 6 . 1 1 406 406 PRO C C 406 174.175 174.175 175.437 -1.262 19415 2835 1 6 . 1 1 406 406 PRO CA C 406 61.942 61.942 62.535 -0.593 19415 2836 1 6 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.549 0.440 19415 2837 1 6 . 1 1 407 407 PHE N N 407 113.077 113.077 117.891 -4.814 19415 2838 1 6 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.545 -0.041 19415 2839 1 6 . 1 1 407 407 PHE C C 407 174.954 174.954 174.979 -0.025 19415 2840 1 6 . 1 1 407 407 PHE CA C 407 57.263 57.263 55.797 1.466 19415 2841 1 6 . 1 1 407 407 PHE CB C 407 38.318 38.318 38.737 -0.419 19415 2842 1 6 . 1 1 407 407 PHE H H 407 7.899 7.899 8.314 -0.415 19415 2843 1 6 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.524 0.229 19415 2844 1 6 . 1 1 408 408 PRO C C 408 175.865 175.865 175.617 0.248 19415 2845 1 6 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.819 0.107 19415 2846 1 6 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.581 1.876 19415 2847 1 6 . 1 1 409 409 GLU N N 409 119.349 119.349 124.018 -4.669 19415 2848 1 6 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.596 0.127 19415 2849 1 6 . 1 1 409 409 GLU C C 409 174.291 174.291 175.311 -1.020 19415 2850 1 6 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.078 0.102 19415 2851 1 6 . 1 1 409 409 GLU CB C 409 34.429 34.429 33.208 1.221 19415 2852 1 6 . 1 1 409 409 GLU H H 409 8.813 8.813 8.712 0.101 19415 2853 1 6 . 1 1 410 410 ALA N N 410 124.017 124.017 123.346 0.671 19415 2854 1 6 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.541 -0.210 19415 2855 1 6 . 1 1 410 410 ALA C C 410 178.181 178.181 176.671 1.510 19415 2856 1 6 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.655 -0.414 19415 2857 1 6 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.409 -0.307 19415 2858 1 6 . 1 1 410 410 ALA H H 410 8.562 8.562 8.477 0.085 19415 2859 1 6 . 1 1 411 411 ALA N N 411 124.837 124.837 126.330 -1.493 19415 2860 1 6 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.482 -0.553 19415 2861 1 6 . 1 1 411 411 ALA C C 411 178.042 178.042 176.410 1.632 19415 2862 1 6 . 1 1 411 411 ALA CA C 411 54.247 54.247 52.326 1.921 19415 2863 1 6 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.220 -0.490 19415 2864 1 6 . 1 1 411 411 ALA H H 411 8.475 8.475 8.380 0.095 19415 2865 1 6 . 1 1 412 412 LEU N N 412 119.893 119.893 122.342 -2.449 19415 2866 1 6 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.715 -0.007 19415 2867 1 6 . 1 1 412 412 LEU C C 412 174.281 174.281 174.668 -0.387 19415 2868 1 6 . 1 1 412 412 LEU CA C 412 52.130 52.130 51.437 0.693 19415 2869 1 6 . 1 1 412 412 LEU CB C 412 42.645 42.645 43.580 -0.935 19415 2870 1 6 . 1 1 412 412 LEU H H 412 8.075 8.075 8.013 0.062 19415 2871 1 6 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.743 -0.290 19415 2872 1 6 . 1 1 413 413 PRO C C 413 177.094 177.094 177.163 -0.069 19415 2873 1 6 . 1 1 413 413 PRO CA C 413 63.001 63.001 61.943 1.058 19415 2874 1 6 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.162 0.017 19415 2875 1 6 . 1 1 414 414 THR N N 414 114.256 114.256 122.003 -7.747 19415 2876 1 6 . 1 1 414 414 THR HA H 414 4.294 4.294 4.169 0.125 19415 2877 1 6 . 1 1 414 414 THR C C 414 174.480 174.480 174.356 0.124 19415 2878 1 6 . 1 1 414 414 THR CA C 414 61.757 61.757 63.954 -2.197 19415 2879 1 6 . 1 1 414 414 THR CB C 414 69.712 69.712 69.052 0.660 19415 2880 1 6 . 1 1 414 414 THR H H 414 8.177 8.177 8.547 -0.370 19415 2881 1 6 . 1 1 415 415 SER N N 415 117.918 117.918 121.230 -3.312 19415 2882 1 6 . 1 1 415 415 SER HA H 415 4.424 4.424 4.573 -0.149 19415 2883 1 6 . 1 1 415 415 SER C C 415 173.689 173.689 173.904 -0.215 19415 2884 1 6 . 1 1 415 415 SER CA C 415 58.072 58.072 57.133 0.939 19415 2885 1 6 . 1 1 415 415 SER CB C 415 63.852 63.852 64.899 -1.047 19415 2886 1 6 . 1 1 415 415 SER H H 415 8.193 8.193 8.733 -0.540 19415 2887 1 6 . 1 1 416 416 HIS N N 416 121.537 121.537 120.875 0.662 19415 2888 1 6 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.564 0.378 19415 2889 1 6 . 1 1 416 416 HIS C C 416 172.547 172.547 174.041 -1.494 19415 2890 1 6 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.793 -1.091 19415 2891 1 6 . 1 1 416 416 HIS CB C 416 29.462 29.462 29.656 -0.194 19415 2892 1 6 . 1 1 416 416 HIS H H 416 8.373 8.373 8.442 -0.069 19415 2893 1 6 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.415 0.006 19415 2894 1 6 . 1 1 417 417 PRO C C 417 176.060 176.060 175.883 0.177 19415 2895 1 6 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.823 0.625 19415 2896 1 6 . 1 1 417 417 PRO CB C 417 32.159 32.159 30.576 1.583 19415 2897 1 6 . 1 1 902 902 GLY N N 902 108.524 108.524 111.187 -2.663 19415 2898 1 6 . 1 1 902 902 GLY CA C 902 45.359 45.359 45.393 -0.034 19415 2899 1 6 . 1 1 902 902 GLY H H 902 8.196 8.196 7.856 0.340 19415 2900 1 6 . 1 1 903 903 SER N N 903 115.821 115.821 117.334 -1.513 19415 2901 1 6 . 1 1 903 903 SER HA H 903 4.403 4.403 4.122 0.281 19415 2902 1 6 . 1 1 903 903 SER CA C 903 58.602 58.602 59.114 -0.512 19415 2903 1 6 . 1 1 903 903 SER CB C 903 63.762 63.762 61.684 2.078 19415 2904 1 6 . 1 1 903 903 SER H H 903 8.354 8.354 8.464 -0.110 19415 2905 1 6 . 1 1 904 904 GLY N N 904 110.847 110.847 107.835 3.012 19415 2906 1 6 . 1 1 904 904 GLY C C 904 174.889 174.889 174.753 0.136 19415 2907 1 6 . 1 1 904 904 GLY CA C 904 45.594 45.594 44.685 0.909 19415 2908 1 6 . 1 1 904 904 GLY H H 904 8.558 8.558 8.074 0.484 19415 2909 1 6 . 1 1 905 905 GLY N N 905 108.922 108.922 111.931 -3.009 19415 2910 1 6 . 1 1 905 905 GLY C C 905 174.452 174.452 174.224 0.228 19415 2911 1 6 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.252 1.297 19415 2912 1 6 . 1 1 905 905 GLY H H 905 8.307 8.307 8.540 -0.233 19415 2913 1 6 . 1 1 906 906 SER N N 906 115.224 115.224 117.382 -2.158 19415 2914 1 6 . 1 1 906 906 SER HA H 906 4.552 4.552 4.273 0.279 19415 2915 1 6 . 1 1 906 906 SER C C 906 175.108 175.108 174.247 0.861 19415 2916 1 6 . 1 1 906 906 SER CA C 906 58.647 58.647 59.844 -1.197 19415 2917 1 6 . 1 1 906 906 SER CB C 906 64.091 64.091 63.900 0.191 19415 2918 1 6 . 1 1 906 906 SER H H 906 8.362 8.362 7.602 0.760 19415 2919 1 6 . 1 1 907 907 GLY N N 907 110.875 110.875 111.712 -0.837 19415 2920 1 6 . 1 1 907 907 GLY C C 907 173.335 173.335 173.106 0.229 19415 2921 1 6 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.112 0.898 19415 2922 1 6 . 1 1 907 907 GLY H H 907 8.437 8.437 8.299 0.138 19415 2923 1 7 . 1 1 78 78 ILE N N 78 124.415 124.415 123.236 1.179 19415 2924 1 7 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.322 -0.280 19415 2925 1 7 . 1 1 78 78 ILE C C 78 175.260 175.260 175.470 -0.210 19415 2926 1 7 . 1 1 78 78 ILE CA C 78 60.727 60.727 62.269 -1.542 19415 2927 1 7 . 1 1 78 78 ILE CB C 78 38.922 38.922 37.882 1.040 19415 2928 1 7 . 1 1 78 78 ILE H H 78 8.025 8.025 8.794 -0.769 19415 2929 1 7 . 1 1 79 79 ARG N N 79 125.999 125.999 125.561 0.438 19415 2930 1 7 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.501 -0.286 19415 2931 1 7 . 1 1 79 79 ARG C C 79 175.494 175.494 175.039 0.455 19415 2932 1 7 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.590 0.266 19415 2933 1 7 . 1 1 79 79 ARG CB C 79 30.774 30.774 30.814 -0.040 19415 2934 1 7 . 1 1 79 79 ARG H H 79 8.249 8.249 8.667 -0.418 19415 2935 1 7 . 1 1 80 80 LEU N N 80 124.427 124.427 116.660 7.767 19415 2936 1 7 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.767 -0.475 19415 2937 1 7 . 1 1 80 80 LEU C C 80 176.785 176.785 175.106 1.679 19415 2938 1 7 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.128 1.692 19415 2939 1 7 . 1 1 80 80 LEU CB C 80 42.520 42.520 44.749 -2.229 19415 2940 1 7 . 1 1 80 80 LEU H H 80 8.190 8.190 7.360 0.830 19415 2941 1 7 . 1 1 81 81 PHE N N 81 120.462 120.462 118.696 1.766 19415 2942 1 7 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.782 -0.158 19415 2943 1 7 . 1 1 81 81 PHE C C 81 176.212 176.212 177.102 -0.890 19415 2944 1 7 . 1 1 81 81 PHE CA C 81 57.570 57.570 57.846 -0.276 19415 2945 1 7 . 1 1 81 81 PHE CB C 81 39.802 39.802 40.423 -0.621 19415 2946 1 7 . 1 1 81 81 PHE H H 81 8.244 8.244 8.720 -0.476 19415 2947 1 7 . 1 1 82 82 GLY N N 82 110.003 110.003 113.524 -3.521 19415 2948 1 7 . 1 1 82 82 GLY C C 82 173.730 173.730 174.981 -1.251 19415 2949 1 7 . 1 1 82 82 GLY CA C 82 45.415 45.415 45.993 -0.578 19415 2950 1 7 . 1 1 82 82 GLY H H 82 8.351 8.351 8.828 -0.477 19415 2951 1 7 . 1 1 83 83 ASN N N 83 118.840 118.840 117.315 1.525 19415 2952 1 7 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.405 0.389 19415 2953 1 7 . 1 1 83 83 ASN C C 83 175.312 175.312 173.969 1.343 19415 2954 1 7 . 1 1 83 83 ASN CA C 83 52.996 52.996 54.089 -1.093 19415 2955 1 7 . 1 1 83 83 ASN CB C 83 39.137 39.137 37.877 1.260 19415 2956 1 7 . 1 1 83 83 ASN H H 83 8.325 8.325 8.204 0.121 19415 2957 1 7 . 1 1 84 84 SER N N 84 116.555 116.555 115.315 1.240 19415 2958 1 7 . 1 1 84 84 SER CA C 84 58.823 58.823 57.354 1.469 19415 2959 1 7 . 1 1 84 84 SER CB C 84 63.887 63.887 63.580 0.307 19415 2960 1 7 . 1 1 84 84 SER H H 84 8.463 8.463 7.992 0.471 19415 2961 1 7 . 1 1 85 85 GLY N N 85 109.826 109.826 109.436 0.390 19415 2962 1 7 . 1 1 85 85 GLY C C 85 172.709 172.709 172.020 0.689 19415 2963 1 7 . 1 1 85 85 GLY CA C 85 45.153 45.153 44.929 0.224 19415 2964 1 7 . 1 1 85 85 GLY H H 85 8.341 8.341 8.203 0.138 19415 2965 1 7 . 1 1 86 86 ALA N N 86 122.100 122.100 125.535 -3.435 19415 2966 1 7 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.884 -0.437 19415 2967 1 7 . 1 1 86 86 ALA C C 86 175.383 175.383 175.930 -0.547 19415 2968 1 7 . 1 1 86 86 ALA CA C 86 50.523 50.523 49.979 0.544 19415 2969 1 7 . 1 1 86 86 ALA CB C 86 20.712 20.712 22.323 -1.611 19415 2970 1 7 . 1 1 86 86 ALA H H 86 7.703 7.703 7.853 -0.150 19415 2971 1 7 . 1 1 87 87 CYS N N 87 121.922 121.922 119.259 2.663 19415 2972 1 7 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.402 -0.205 19415 2973 1 7 . 1 1 87 87 CYS C C 87 178.454 178.454 176.716 1.738 19415 2974 1 7 . 1 1 87 87 CYS CA C 87 58.515 58.515 58.789 -0.274 19415 2975 1 7 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.489 3.111 19415 2976 1 7 . 1 1 87 87 CYS H H 87 7.968 7.968 8.512 -0.544 19415 2977 1 7 . 1 1 88 88 SER N N 88 126.804 126.804 121.236 5.568 19415 2978 1 7 . 1 1 88 88 SER HA H 88 4.174 4.174 4.657 -0.483 19415 2979 1 7 . 1 1 88 88 SER C C 88 173.647 173.647 174.130 -0.483 19415 2980 1 7 . 1 1 88 88 SER CA C 88 62.158 62.158 59.739 2.419 19415 2981 1 7 . 1 1 88 88 SER CB C 88 63.401 63.401 63.113 0.288 19415 2982 1 7 . 1 1 88 88 SER H H 88 9.202 9.202 8.350 0.852 19415 2983 1 7 . 1 1 89 89 ALA N N 89 123.763 123.763 122.800 0.963 19415 2984 1 7 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.750 0.086 19415 2985 1 7 . 1 1 89 89 ALA C C 89 178.007 178.007 177.961 0.046 19415 2986 1 7 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.292 0.641 19415 2987 1 7 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.591 1.654 19415 2988 1 7 . 1 1 89 89 ALA H H 89 8.964 8.964 7.619 1.345 19415 2989 1 7 . 1 1 90 90 CYS N N 90 115.099 115.099 115.258 -0.159 19415 2990 1 7 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.688 0.344 19415 2991 1 7 . 1 1 90 90 CYS C C 90 177.164 177.164 176.229 0.935 19415 2992 1 7 . 1 1 90 90 CYS CA C 90 58.754 58.754 59.689 -0.935 19415 2993 1 7 . 1 1 90 90 CYS CB C 90 31.688 31.688 28.508 3.180 19415 2994 1 7 . 1 1 90 90 CYS H H 90 8.078 8.078 7.848 0.230 19415 2995 1 7 . 1 1 91 91 GLY N N 91 112.869 112.869 106.961 5.908 19415 2996 1 7 . 1 1 91 91 GLY C C 91 173.725 173.725 172.847 0.878 19415 2997 1 7 . 1 1 91 91 GLY CA C 91 46.303 46.303 44.648 1.655 19415 2998 1 7 . 1 1 91 91 GLY H H 91 7.996 7.996 8.248 -0.252 19415 2999 1 7 . 1 1 92 92 GLN N N 92 119.848 119.848 121.736 -1.888 19415 3000 1 7 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.315 0.260 19415 3001 1 7 . 1 1 92 92 GLN C C 92 176.015 176.015 176.184 -0.169 19415 3002 1 7 . 1 1 92 92 GLN CA C 92 54.954 54.954 55.680 -0.726 19415 3003 1 7 . 1 1 92 92 GLN CB C 92 30.026 30.026 29.285 0.741 19415 3004 1 7 . 1 1 92 92 GLN H H 92 8.341 8.341 7.638 0.703 19415 3005 1 7 . 1 1 93 93 SER N N 93 116.734 116.734 122.121 -5.387 19415 3006 1 7 . 1 1 93 93 SER C C 93 173.776 173.776 175.187 -1.411 19415 3007 1 7 . 1 1 93 93 SER CA C 93 59.491 59.491 59.668 -0.177 19415 3008 1 7 . 1 1 93 93 SER CB C 93 63.707 63.707 63.398 0.309 19415 3009 1 7 . 1 1 93 93 SER H H 93 8.656 8.656 8.629 0.027 19415 3010 1 7 . 1 1 94 94 ILE N N 94 126.045 126.045 128.305 -2.260 19415 3011 1 7 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.268 0.074 19415 3012 1 7 . 1 1 94 94 ILE CA C 94 58.525 58.525 60.330 -1.805 19415 3013 1 7 . 1 1 94 94 ILE CB C 94 39.907 39.907 37.689 2.218 19415 3014 1 7 . 1 1 94 94 ILE H H 94 8.281 8.281 8.484 -0.203 19415 3015 1 7 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.646 -0.173 19415 3016 1 7 . 1 1 95 95 PRO C C 95 176.605 176.605 177.198 -0.593 19415 3017 1 7 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.127 0.725 19415 3018 1 7 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.629 0.162 19415 3019 1 7 . 1 1 96 96 ALA N N 96 122.591 122.591 122.607 -0.016 19415 3020 1 7 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.246 -0.246 19415 3021 1 7 . 1 1 96 96 ALA C C 96 177.763 177.763 177.417 0.346 19415 3022 1 7 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.724 0.881 19415 3023 1 7 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.331 0.775 19415 3024 1 7 . 1 1 96 96 ALA H H 96 8.400 8.400 8.386 0.014 19415 3025 1 7 . 1 1 97 97 SER N N 97 107.288 107.288 112.119 -4.831 19415 3026 1 7 . 1 1 97 97 SER HA H 97 4.270 4.270 4.600 -0.330 19415 3027 1 7 . 1 1 97 97 SER C C 97 174.625 174.625 173.853 0.772 19415 3028 1 7 . 1 1 97 97 SER CA C 97 58.532 58.532 58.364 0.169 19415 3029 1 7 . 1 1 97 97 SER CB C 97 63.538 63.538 63.500 0.038 19415 3030 1 7 . 1 1 97 97 SER H H 97 7.796 7.796 7.888 -0.092 19415 3031 1 7 . 1 1 98 98 GLU N N 98 124.231 124.231 122.435 1.796 19415 3032 1 7 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.624 -0.367 19415 3033 1 7 . 1 1 98 98 GLU C C 98 175.476 175.476 174.426 1.050 19415 3034 1 7 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.576 0.945 19415 3035 1 7 . 1 1 98 98 GLU CB C 98 31.081 31.081 32.489 -1.408 19415 3036 1 7 . 1 1 98 98 GLU H H 98 7.649 7.649 7.602 0.047 19415 3037 1 7 . 1 1 99 99 LEU N N 99 122.696 122.696 123.960 -1.264 19415 3038 1 7 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.788 -0.283 19415 3039 1 7 . 1 1 99 99 LEU C C 99 176.253 176.253 176.065 0.188 19415 3040 1 7 . 1 1 99 99 LEU CA C 99 54.635 54.635 54.144 0.491 19415 3041 1 7 . 1 1 99 99 LEU CB C 99 42.967 42.967 43.310 -0.343 19415 3042 1 7 . 1 1 99 99 LEU H H 99 8.250 8.250 8.653 -0.403 19415 3043 1 7 . 1 1 100 100 VAL N N 100 112.933 112.933 117.718 -4.785 19415 3044 1 7 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.687 0.216 19415 3045 1 7 . 1 1 100 100 VAL C C 100 175.544 175.544 174.814 0.730 19415 3046 1 7 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.391 -0.644 19415 3047 1 7 . 1 1 100 100 VAL CB C 100 35.898 35.898 33.351 2.547 19415 3048 1 7 . 1 1 100 100 VAL H H 100 8.934 8.934 9.146 -0.212 19415 3049 1 7 . 1 1 101 101 MET N N 101 116.964 116.964 125.878 -8.914 19415 3050 1 7 . 1 1 101 101 MET HA H 101 4.676 4.676 4.425 0.251 19415 3051 1 7 . 1 1 101 101 MET C C 101 175.197 175.197 174.996 0.201 19415 3052 1 7 . 1 1 101 101 MET CA C 101 52.397 52.397 54.806 -2.409 19415 3053 1 7 . 1 1 101 101 MET CB C 101 34.490 34.490 33.568 0.922 19415 3054 1 7 . 1 1 101 101 MET H H 101 8.299 8.299 8.878 -0.579 19415 3055 1 7 . 1 1 102 102 ARG N N 102 122.278 122.278 125.819 -3.541 19415 3056 1 7 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.421 0.733 19415 3057 1 7 . 1 1 102 102 ARG C C 102 175.008 175.008 175.145 -0.137 19415 3058 1 7 . 1 1 102 102 ARG CA C 102 54.850 54.850 55.558 -0.708 19415 3059 1 7 . 1 1 102 102 ARG CB C 102 32.335 32.335 30.295 2.040 19415 3060 1 7 . 1 1 102 102 ARG H H 102 8.112 8.112 8.275 -0.163 19415 3061 1 7 . 1 1 103 103 ALA N N 103 123.373 123.373 127.956 -4.583 19415 3062 1 7 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.414 0.185 19415 3063 1 7 . 1 1 103 103 ALA C C 103 176.137 176.137 176.787 -0.650 19415 3064 1 7 . 1 1 103 103 ALA CA C 103 52.049 52.049 52.531 -0.482 19415 3065 1 7 . 1 1 103 103 ALA CB C 103 21.835 21.835 20.424 1.411 19415 3066 1 7 . 1 1 103 103 ALA H H 103 8.129 8.129 8.497 -0.368 19415 3067 1 7 . 1 1 104 104 GLN N N 104 120.352 120.352 116.079 4.273 19415 3068 1 7 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.405 -0.603 19415 3069 1 7 . 1 1 104 104 GLN C C 104 175.032 175.032 175.853 -0.821 19415 3070 1 7 . 1 1 104 104 GLN CA C 104 56.385 56.385 55.974 0.411 19415 3071 1 7 . 1 1 104 104 GLN CB C 104 25.801 25.801 29.234 -3.433 19415 3072 1 7 . 1 1 104 104 GLN H H 104 9.312 9.312 7.552 1.760 19415 3073 1 7 . 1 1 105 105 GLY N N 105 105.580 105.580 108.372 -2.792 19415 3074 1 7 . 1 1 105 105 GLY C C 105 173.414 173.414 174.401 -0.987 19415 3075 1 7 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.035 0.440 19415 3076 1 7 . 1 1 105 105 GLY H H 105 8.493 8.493 8.591 -0.098 19415 3077 1 7 . 1 1 106 106 ASN N N 106 120.347 120.347 118.243 2.104 19415 3078 1 7 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.729 0.091 19415 3079 1 7 . 1 1 106 106 ASN C C 106 174.060 174.060 173.579 0.481 19415 3080 1 7 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.602 -0.825 19415 3081 1 7 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.675 0.929 19415 3082 1 7 . 1 1 106 106 ASN H H 106 8.085 8.085 7.616 0.469 19415 3083 1 7 . 1 1 107 107 VAL N N 107 118.992 118.992 116.663 2.329 19415 3084 1 7 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.615 0.159 19415 3085 1 7 . 1 1 107 107 VAL C C 107 173.066 173.066 174.229 -1.163 19415 3086 1 7 . 1 1 107 107 VAL CA C 107 60.576 60.576 59.988 0.588 19415 3087 1 7 . 1 1 107 107 VAL CB C 107 34.475 34.475 33.856 0.619 19415 3088 1 7 . 1 1 107 107 VAL H H 107 8.207 8.207 7.580 0.627 19415 3089 1 7 . 1 1 108 108 TYR N N 108 121.397 121.397 120.824 0.573 19415 3090 1 7 . 1 1 108 108 TYR HA H 108 5.930 5.930 5.043 0.887 19415 3091 1 7 . 1 1 108 108 TYR C C 108 177.709 177.709 175.825 1.884 19415 3092 1 7 . 1 1 108 108 TYR CA C 108 56.002 56.002 55.496 0.506 19415 3093 1 7 . 1 1 108 108 TYR CB C 108 42.938 42.938 41.875 1.063 19415 3094 1 7 . 1 1 108 108 TYR H H 108 8.681 8.681 8.229 0.452 19415 3095 1 7 . 1 1 109 109 HIS N N 109 120.399 120.399 117.761 2.638 19415 3096 1 7 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.676 0.081 19415 3097 1 7 . 1 1 109 109 HIS C C 109 178.297 178.297 176.566 1.731 19415 3098 1 7 . 1 1 109 109 HIS CA C 109 59.269 59.269 56.856 2.413 19415 3099 1 7 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.559 -0.120 19415 3100 1 7 . 1 1 109 109 HIS H H 109 8.681 8.681 8.609 0.072 19415 3101 1 7 . 1 1 110 110 LEU N N 110 124.629 124.629 116.424 8.205 19415 3102 1 7 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.310 -0.428 19415 3103 1 7 . 1 1 110 110 LEU C C 110 180.956 180.956 178.699 2.257 19415 3104 1 7 . 1 1 110 110 LEU CA C 110 60.072 60.072 57.829 2.243 19415 3105 1 7 . 1 1 110 110 LEU CB C 110 40.482 40.482 41.776 -1.294 19415 3106 1 7 . 1 1 110 110 LEU H H 110 8.924 8.924 8.256 0.668 19415 3107 1 7 . 1 1 111 111 LYS N N 111 112.542 112.542 117.373 -4.831 19415 3108 1 7 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.284 -0.288 19415 3109 1 7 . 1 1 111 111 LYS C C 111 176.711 176.711 176.374 0.337 19415 3110 1 7 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.028 -0.091 19415 3111 1 7 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.370 0.339 19415 3112 1 7 . 1 1 111 111 LYS H H 111 8.586 8.586 8.203 0.383 19415 3113 1 7 . 1 1 112 112 CYS N N 112 117.897 117.897 116.661 1.236 19415 3114 1 7 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.727 -0.335 19415 3115 1 7 . 1 1 112 112 CYS C C 112 173.923 173.923 174.786 -0.863 19415 3116 1 7 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.465 1.790 19415 3117 1 7 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.210 5.224 19415 3118 1 7 . 1 1 112 112 CYS H H 112 7.439 7.439 8.043 -0.604 19415 3119 1 7 . 1 1 113 113 PHE N N 113 126.150 126.150 125.177 0.973 19415 3120 1 7 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.426 -0.345 19415 3121 1 7 . 1 1 113 113 PHE C C 113 172.777 172.777 173.579 -0.802 19415 3122 1 7 . 1 1 113 113 PHE CA C 113 57.131 57.131 55.428 1.703 19415 3123 1 7 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.470 -0.661 19415 3124 1 7 . 1 1 113 113 PHE H H 113 7.467 7.467 7.961 -0.494 19415 3125 1 7 . 1 1 114 114 THR N N 114 112.302 112.302 113.943 -1.641 19415 3126 1 7 . 1 1 114 114 THR HA H 114 4.577 4.577 5.006 -0.429 19415 3127 1 7 . 1 1 114 114 THR C C 114 172.592 172.592 173.954 -1.362 19415 3128 1 7 . 1 1 114 114 THR CA C 114 57.922 57.922 59.667 -1.745 19415 3129 1 7 . 1 1 114 114 THR CB C 114 72.187 72.187 72.067 0.120 19415 3130 1 7 . 1 1 114 114 THR H H 114 6.895 6.895 7.619 -0.724 19415 3131 1 7 . 1 1 115 115 CYS N N 115 121.388 121.388 117.842 3.546 19415 3132 1 7 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.574 -0.784 19415 3133 1 7 . 1 1 115 115 CYS C C 115 177.309 177.309 176.300 1.009 19415 3134 1 7 . 1 1 115 115 CYS CA C 115 59.284 59.284 57.501 1.783 19415 3135 1 7 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.346 3.276 19415 3136 1 7 . 1 1 115 115 CYS H H 115 7.981 7.981 8.212 -0.231 19415 3137 1 7 . 1 1 116 116 SER N N 116 127.333 127.333 117.616 9.717 19415 3138 1 7 . 1 1 116 116 SER HA H 116 4.066 4.066 4.568 -0.502 19415 3139 1 7 . 1 1 116 116 SER C C 116 174.522 174.522 175.117 -0.595 19415 3140 1 7 . 1 1 116 116 SER CA C 116 61.507 61.507 59.843 1.664 19415 3141 1 7 . 1 1 116 116 SER CB C 116 63.619 63.619 62.491 1.128 19415 3142 1 7 . 1 1 116 116 SER H H 116 9.064 9.064 8.566 0.498 19415 3143 1 7 . 1 1 117 117 THR N N 117 121.020 121.020 114.905 6.115 19415 3144 1 7 . 1 1 117 117 THR HA H 117 4.384 4.384 4.519 -0.135 19415 3145 1 7 . 1 1 117 117 THR C C 117 174.713 174.713 175.325 -0.612 19415 3146 1 7 . 1 1 117 117 THR CA C 117 65.378 65.378 63.987 1.391 19415 3147 1 7 . 1 1 117 117 THR CB C 117 69.656 69.656 70.004 -0.348 19415 3148 1 7 . 1 1 117 117 THR H H 117 8.939 8.939 8.392 0.547 19415 3149 1 7 . 1 1 118 118 CYS N N 118 120.215 120.215 117.143 3.072 19415 3150 1 7 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.900 -0.552 19415 3151 1 7 . 1 1 118 118 CYS C C 118 176.041 176.041 174.341 1.700 19415 3152 1 7 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.610 1.877 19415 3153 1 7 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.324 0.500 19415 3154 1 7 . 1 1 118 118 CYS H H 118 8.180 8.180 7.848 0.332 19415 3155 1 7 . 1 1 119 119 ARG N N 119 114.664 114.664 119.070 -4.406 19415 3156 1 7 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.037 0.074 19415 3157 1 7 . 1 1 119 119 ARG C C 119 174.910 174.910 174.719 0.191 19415 3158 1 7 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.691 0.882 19415 3159 1 7 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.946 -1.588 19415 3160 1 7 . 1 1 119 119 ARG H H 119 7.545 7.545 8.107 -0.562 19415 3161 1 7 . 1 1 120 120 ASN N N 120 118.962 118.962 118.020 0.942 19415 3162 1 7 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.563 0.189 19415 3163 1 7 . 1 1 120 120 ASN C C 120 175.950 175.950 175.331 0.619 19415 3164 1 7 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.474 0.031 19415 3165 1 7 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.395 -0.097 19415 3166 1 7 . 1 1 120 120 ASN H H 120 8.232 8.232 7.940 0.292 19415 3167 1 7 . 1 1 121 121 ARG N N 121 122.104 122.104 126.165 -4.061 19415 3168 1 7 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.334 -0.349 19415 3169 1 7 . 1 1 121 121 ARG C C 121 175.638 175.638 176.254 -0.616 19415 3170 1 7 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.512 0.672 19415 3171 1 7 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.544 0.023 19415 3172 1 7 . 1 1 121 121 ARG H H 121 8.603 8.603 8.591 0.012 19415 3173 1 7 . 1 1 122 122 LEU N N 122 127.225 127.225 127.438 -0.213 19415 3174 1 7 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.311 0.218 19415 3175 1 7 . 1 1 122 122 LEU C C 122 175.345 175.345 175.615 -0.270 19415 3176 1 7 . 1 1 122 122 LEU CA C 122 53.827 53.827 54.965 -1.138 19415 3177 1 7 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.840 -1.268 19415 3178 1 7 . 1 1 122 122 LEU H H 122 8.094 8.094 8.017 0.077 19415 3179 1 7 . 1 1 123 123 VAL N N 123 121.030 121.030 119.411 1.619 19415 3180 1 7 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.452 0.023 19415 3181 1 7 . 1 1 123 123 VAL C C 123 173.190 173.190 173.706 -0.516 19415 3182 1 7 . 1 1 123 123 VAL CA C 123 59.031 59.031 59.079 -0.048 19415 3183 1 7 . 1 1 123 123 VAL CB C 123 31.454 31.454 34.401 -2.947 19415 3184 1 7 . 1 1 123 123 VAL H H 123 8.416 8.416 8.333 0.083 19415 3185 1 7 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.207 -0.567 19415 3186 1 7 . 1 1 124 124 PRO C C 124 177.425 177.425 177.420 0.005 19415 3187 1 7 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.227 0.805 19415 3188 1 7 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.291 0.945 19415 3189 1 7 . 1 1 125 125 GLY N N 125 113.120 113.120 114.255 -1.135 19415 3190 1 7 . 1 1 125 125 GLY C C 125 174.384 174.384 173.681 0.703 19415 3191 1 7 . 1 1 125 125 GLY CA C 125 45.103 45.103 45.066 0.037 19415 3192 1 7 . 1 1 125 125 GLY H H 125 8.574 8.574 8.656 -0.082 19415 3193 1 7 . 1 1 126 126 ASP N N 126 122.488 122.488 119.863 2.625 19415 3194 1 7 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.942 -0.219 19415 3195 1 7 . 1 1 126 126 ASP C C 126 176.558 176.558 174.683 1.875 19415 3196 1 7 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.561 1.763 19415 3197 1 7 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.651 -2.049 19415 3198 1 7 . 1 1 126 126 ASP H H 126 8.476 8.476 8.231 0.245 19415 3199 1 7 . 1 1 127 127 ARG N N 127 122.074 122.074 118.836 3.238 19415 3200 1 7 . 1 1 127 127 ARG HA H 127 5.047 5.047 4.296 0.751 19415 3201 1 7 . 1 1 127 127 ARG C C 127 175.671 175.671 175.579 0.092 19415 3202 1 7 . 1 1 127 127 ARG CA C 127 55.559 55.559 57.442 -1.883 19415 3203 1 7 . 1 1 127 127 ARG CB C 127 30.862 30.862 30.243 0.619 19415 3204 1 7 . 1 1 127 127 ARG H H 127 8.697 8.697 8.492 0.205 19415 3205 1 7 . 1 1 128 128 PHE N N 128 120.179 120.179 122.835 -2.656 19415 3206 1 7 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.825 0.369 19415 3207 1 7 . 1 1 128 128 PHE C C 128 171.304 171.304 172.604 -1.300 19415 3208 1 7 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.531 -1.104 19415 3209 1 7 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.745 0.768 19415 3210 1 7 . 1 1 128 128 PHE H H 128 8.869 8.869 9.048 -0.179 19415 3211 1 7 . 1 1 129 129 HIS N N 129 118.586 118.586 119.371 -0.785 19415 3212 1 7 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.601 0.080 19415 3213 1 7 . 1 1 129 129 HIS C C 129 173.764 173.764 172.938 0.826 19415 3214 1 7 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.817 -0.007 19415 3215 1 7 . 1 1 129 129 HIS CB C 129 34.983 34.983 34.142 0.841 19415 3216 1 7 . 1 1 129 129 HIS H H 129 9.292 9.292 8.921 0.371 19415 3217 1 7 . 1 1 130 130 TYR N N 130 125.995 125.995 127.686 -1.691 19415 3218 1 7 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.431 0.288 19415 3219 1 7 . 1 1 130 130 TYR C C 130 174.625 174.625 174.458 0.167 19415 3220 1 7 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.291 -0.109 19415 3221 1 7 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.667 0.612 19415 3222 1 7 . 1 1 130 130 TYR H H 130 8.865 8.865 7.756 1.109 19415 3223 1 7 . 1 1 131 131 ILE N N 131 126.610 126.610 128.227 -1.617 19415 3224 1 7 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.243 0.080 19415 3225 1 7 . 1 1 131 131 ILE C C 131 175.516 175.516 175.265 0.251 19415 3226 1 7 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.351 -0.624 19415 3227 1 7 . 1 1 131 131 ILE CB C 131 41.170 41.170 38.624 2.546 19415 3228 1 7 . 1 1 131 131 ILE H H 131 8.889 8.889 8.545 0.344 19415 3229 1 7 . 1 1 132 132 ASN N N 132 126.614 126.614 127.263 -0.649 19415 3230 1 7 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.351 0.010 19415 3231 1 7 . 1 1 132 132 ASN C C 132 175.421 175.421 174.885 0.536 19415 3232 1 7 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.745 0.188 19415 3233 1 7 . 1 1 132 132 ASN CB C 132 37.340 37.340 38.052 -0.712 19415 3234 1 7 . 1 1 132 132 ASN H H 132 9.375 9.375 9.192 0.183 19415 3235 1 7 . 1 1 133 133 GLY N N 133 102.667 102.667 101.612 1.055 19415 3236 1 7 . 1 1 133 133 GLY C C 133 173.969 173.969 173.395 0.574 19415 3237 1 7 . 1 1 133 133 GLY CA C 133 45.395 45.395 44.544 0.851 19415 3238 1 7 . 1 1 133 133 GLY H H 133 7.417 7.417 7.888 -0.471 19415 3239 1 7 . 1 1 134 134 SER N N 134 117.123 117.123 115.559 1.564 19415 3240 1 7 . 1 1 134 134 SER HA H 134 4.743 4.743 4.431 0.312 19415 3241 1 7 . 1 1 134 134 SER C C 134 170.825 170.825 173.104 -2.279 19415 3242 1 7 . 1 1 134 134 SER CA C 134 57.754 57.754 57.377 0.377 19415 3243 1 7 . 1 1 134 134 SER CB C 134 66.060 66.060 65.272 0.788 19415 3244 1 7 . 1 1 134 134 SER H H 134 7.639 7.639 6.813 0.826 19415 3245 1 7 . 1 1 135 135 LEU N N 135 122.242 122.242 126.317 -4.075 19415 3246 1 7 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.875 0.339 19415 3247 1 7 . 1 1 135 135 LEU C C 135 177.735 177.735 175.188 2.547 19415 3248 1 7 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.541 -1.112 19415 3249 1 7 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.157 2.528 19415 3250 1 7 . 1 1 135 135 LEU H H 135 8.236 8.236 8.716 -0.480 19415 3251 1 7 . 1 1 136 136 PHE N N 136 118.689 118.689 121.406 -2.717 19415 3252 1 7 . 1 1 136 136 PHE HA H 136 5.990 5.990 4.974 1.016 19415 3253 1 7 . 1 1 136 136 PHE C C 136 175.971 175.971 175.074 0.897 19415 3254 1 7 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.375 0.529 19415 3255 1 7 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.359 0.970 19415 3256 1 7 . 1 1 136 136 PHE H H 136 9.221 9.221 9.077 0.144 19415 3257 1 7 . 1 1 137 137 CYS N N 137 121.328 121.328 117.109 4.219 19415 3258 1 7 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.035 -0.069 19415 3259 1 7 . 1 1 137 137 CYS C C 137 175.030 175.030 175.192 -0.162 19415 3260 1 7 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.221 1.331 19415 3261 1 7 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.497 -1.272 19415 3262 1 7 . 1 1 137 137 CYS H H 137 9.716 9.716 8.595 1.121 19415 3263 1 7 . 1 1 138 138 GLU N N 138 118.055 118.055 121.722 -3.667 19415 3264 1 7 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.135 0.008 19415 3265 1 7 . 1 1 138 138 GLU C C 138 178.535 178.535 176.711 1.824 19415 3266 1 7 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.281 0.288 19415 3267 1 7 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.742 0.152 19415 3268 1 7 . 1 1 138 138 GLU H H 138 8.476 8.476 8.968 -0.492 19415 3269 1 7 . 1 1 139 139 HIS N N 139 117.190 117.190 117.536 -0.346 19415 3270 1 7 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.460 -0.030 19415 3271 1 7 . 1 1 139 139 HIS C C 139 175.584 175.584 176.361 -0.777 19415 3272 1 7 . 1 1 139 139 HIS CA C 139 58.130 58.130 57.713 0.417 19415 3273 1 7 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.340 -1.394 19415 3274 1 7 . 1 1 139 139 HIS H H 139 8.365 8.365 7.757 0.608 19415 3275 1 7 . 1 1 140 140 ASP N N 140 118.373 118.373 119.903 -1.530 19415 3276 1 7 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.462 0.494 19415 3277 1 7 . 1 1 140 140 ASP C C 140 174.258 174.258 176.140 -1.882 19415 3278 1 7 . 1 1 140 140 ASP CA C 140 54.319 54.319 56.376 -2.057 19415 3279 1 7 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.595 0.722 19415 3280 1 7 . 1 1 140 140 ASP H H 140 8.082 8.082 7.758 0.324 19415 3281 1 7 . 1 1 141 141 ARG N N 141 121.880 121.880 119.071 2.809 19415 3282 1 7 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.440 0.176 19415 3283 1 7 . 1 1 141 141 ARG C C 141 173.939 173.939 173.507 0.432 19415 3284 1 7 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.448 -0.726 19415 3285 1 7 . 1 1 141 141 ARG CB C 141 29.423 29.423 29.012 0.411 19415 3286 1 7 . 1 1 141 141 ARG H H 141 7.120 7.120 7.592 -0.472 19415 3287 1 7 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.134 0.116 19415 3288 1 7 . 1 1 142 142 PRO C C 142 176.688 176.688 176.605 0.083 19415 3289 1 7 . 1 1 142 142 PRO CA C 142 62.699 62.699 63.130 -0.431 19415 3290 1 7 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.232 0.017 19415 3291 1 7 . 1 1 143 143 THR N N 143 115.472 115.472 120.150 -4.678 19415 3292 1 7 . 1 1 143 143 THR HA H 143 3.924 3.924 4.190 -0.266 19415 3293 1 7 . 1 1 143 143 THR C C 143 174.890 174.890 173.402 1.488 19415 3294 1 7 . 1 1 143 143 THR CA C 143 63.099 63.099 62.568 0.531 19415 3295 1 7 . 1 1 143 143 THR CB C 143 69.197 69.197 66.748 2.449 19415 3296 1 7 . 1 1 143 143 THR H H 143 8.015 8.015 8.236 -0.221 19415 3297 1 7 . 1 1 144 144 ALA N N 144 124.502 124.502 124.636 -0.134 19415 3298 1 7 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.315 -0.115 19415 3299 1 7 . 1 1 144 144 ALA C C 144 177.656 177.656 176.718 0.938 19415 3300 1 7 . 1 1 144 144 ALA CA C 144 52.807 52.807 52.694 0.113 19415 3301 1 7 . 1 1 144 144 ALA CB C 144 19.005 19.005 19.994 -0.989 19415 3302 1 7 . 1 1 144 144 ALA H H 144 8.130 8.130 8.359 -0.229 19415 3303 1 7 . 1 1 145 145 LEU N N 145 119.506 119.506 122.715 -3.209 19415 3304 1 7 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.536 -0.260 19415 3305 1 7 . 1 1 145 145 LEU C C 145 177.574 177.574 175.378 2.196 19415 3306 1 7 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.797 0.270 19415 3307 1 7 . 1 1 145 145 LEU CB C 145 42.231 42.231 40.272 1.959 19415 3308 1 7 . 1 1 145 145 LEU H H 145 7.897 7.897 8.188 -0.291 19415 3309 1 7 . 1 1 146 146 ILE N N 146 120.683 120.683 122.160 -1.477 19415 3310 1 7 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.421 -0.366 19415 3311 1 7 . 1 1 146 146 ILE C C 146 176.259 176.259 174.935 1.324 19415 3312 1 7 . 1 1 146 146 ILE CA C 146 61.486 61.486 59.263 2.223 19415 3313 1 7 . 1 1 146 146 ILE CB C 146 38.629 38.629 41.567 -2.938 19415 3314 1 7 . 1 1 146 146 ILE H H 146 7.842 7.842 7.597 0.245 19415 3315 1 7 . 1 1 405 405 ALA N N 405 133.214 133.214 130.170 3.044 19415 3316 1 7 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.417 0.054 19415 3317 1 7 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.422 -0.604 19415 3318 1 7 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.878 -1.831 19415 3319 1 7 . 1 1 405 405 ALA H H 405 9.651 9.651 8.800 0.851 19415 3320 1 7 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.553 0.034 19415 3321 1 7 . 1 1 406 406 PRO C C 406 174.175 174.175 176.113 -1.938 19415 3322 1 7 . 1 1 406 406 PRO CA C 406 61.942 61.942 62.261 -0.319 19415 3323 1 7 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.586 0.403 19415 3324 1 7 . 1 1 407 407 PHE N N 407 113.077 113.077 116.764 -3.687 19415 3325 1 7 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.649 -0.145 19415 3326 1 7 . 1 1 407 407 PHE C C 407 174.954 174.954 173.971 0.983 19415 3327 1 7 . 1 1 407 407 PHE CA C 407 57.263 57.263 56.313 0.950 19415 3328 1 7 . 1 1 407 407 PHE CB C 407 38.318 38.318 39.948 -1.630 19415 3329 1 7 . 1 1 407 407 PHE H H 407 7.899 7.899 8.241 -0.342 19415 3330 1 7 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.544 0.209 19415 3331 1 7 . 1 1 408 408 PRO C C 408 175.865 175.865 175.656 0.209 19415 3332 1 7 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.392 0.534 19415 3333 1 7 . 1 1 408 408 PRO CB C 408 33.457 33.457 32.276 1.181 19415 3334 1 7 . 1 1 409 409 GLU N N 409 119.349 119.349 121.786 -2.437 19415 3335 1 7 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.641 0.082 19415 3336 1 7 . 1 1 409 409 GLU C C 409 174.291 174.291 174.926 -0.635 19415 3337 1 7 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.468 -0.288 19415 3338 1 7 . 1 1 409 409 GLU CB C 409 34.429 34.429 34.413 0.017 19415 3339 1 7 . 1 1 409 409 GLU H H 409 8.813 8.813 8.922 -0.109 19415 3340 1 7 . 1 1 410 410 ALA N N 410 124.017 124.017 121.741 2.276 19415 3341 1 7 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.787 -0.456 19415 3342 1 7 . 1 1 410 410 ALA C C 410 178.181 178.181 176.769 1.412 19415 3343 1 7 . 1 1 410 410 ALA CA C 410 52.241 52.241 51.568 0.673 19415 3344 1 7 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.940 -0.838 19415 3345 1 7 . 1 1 410 410 ALA H H 410 8.562 8.562 8.379 0.183 19415 3346 1 7 . 1 1 411 411 ALA N N 411 124.837 124.837 127.252 -2.415 19415 3347 1 7 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.396 -0.467 19415 3348 1 7 . 1 1 411 411 ALA C C 411 178.042 178.042 177.224 0.818 19415 3349 1 7 . 1 1 411 411 ALA CA C 411 54.247 54.247 52.546 1.701 19415 3350 1 7 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.464 -0.734 19415 3351 1 7 . 1 1 411 411 ALA H H 411 8.475 8.475 8.496 -0.021 19415 3352 1 7 . 1 1 412 412 LEU N N 412 119.893 119.893 120.485 -0.592 19415 3353 1 7 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.749 -0.041 19415 3354 1 7 . 1 1 412 412 LEU C C 412 174.281 174.281 174.442 -0.161 19415 3355 1 7 . 1 1 412 412 LEU CA C 412 52.130 52.130 52.440 -0.310 19415 3356 1 7 . 1 1 412 412 LEU CB C 412 42.645 42.645 44.219 -1.574 19415 3357 1 7 . 1 1 412 412 LEU H H 412 8.075 8.075 7.830 0.245 19415 3358 1 7 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.840 -0.387 19415 3359 1 7 . 1 1 413 413 PRO C C 413 177.094 177.094 177.015 0.079 19415 3360 1 7 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.142 0.860 19415 3361 1 7 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.240 -0.061 19415 3362 1 7 . 1 1 414 414 THR N N 414 114.256 114.256 116.557 -2.301 19415 3363 1 7 . 1 1 414 414 THR HA H 414 4.294 4.294 4.559 -0.265 19415 3364 1 7 . 1 1 414 414 THR C C 414 174.480 174.480 174.691 -0.211 19415 3365 1 7 . 1 1 414 414 THR CA C 414 61.757 61.757 61.352 0.405 19415 3366 1 7 . 1 1 414 414 THR CB C 414 69.712 69.712 69.520 0.192 19415 3367 1 7 . 1 1 414 414 THR H H 414 8.177 8.177 7.896 0.281 19415 3368 1 7 . 1 1 415 415 SER N N 415 117.918 117.918 116.924 0.994 19415 3369 1 7 . 1 1 415 415 SER HA H 415 4.424 4.424 4.349 0.075 19415 3370 1 7 . 1 1 415 415 SER C C 415 173.689 173.689 173.902 -0.213 19415 3371 1 7 . 1 1 415 415 SER CA C 415 58.072 58.072 58.536 -0.464 19415 3372 1 7 . 1 1 415 415 SER CB C 415 63.852 63.852 63.672 0.180 19415 3373 1 7 . 1 1 415 415 SER H H 415 8.193 8.193 8.408 -0.215 19415 3374 1 7 . 1 1 416 416 HIS N N 416 121.537 121.537 121.805 -0.268 19415 3375 1 7 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.850 0.092 19415 3376 1 7 . 1 1 416 416 HIS C C 416 172.547 172.547 174.534 -1.987 19415 3377 1 7 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.501 -0.799 19415 3378 1 7 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.135 -0.673 19415 3379 1 7 . 1 1 416 416 HIS H H 416 8.373 8.373 8.495 -0.122 19415 3380 1 7 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.527 -0.106 19415 3381 1 7 . 1 1 417 417 PRO C C 417 176.060 176.060 176.652 -0.592 19415 3382 1 7 . 1 1 417 417 PRO CA C 417 63.448 63.448 63.063 0.385 19415 3383 1 7 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.311 -0.152 19415 3384 1 7 . 1 1 902 902 GLY N N 902 108.524 108.524 108.767 -0.243 19415 3385 1 7 . 1 1 902 902 GLY CA C 902 45.359 45.359 45.929 -0.570 19415 3386 1 7 . 1 1 902 902 GLY H H 902 8.196 8.196 8.582 -0.386 19415 3387 1 7 . 1 1 903 903 SER N N 903 115.821 115.821 115.520 0.301 19415 3388 1 7 . 1 1 903 903 SER HA H 903 4.403 4.403 4.598 -0.195 19415 3389 1 7 . 1 1 903 903 SER CA C 903 58.602 58.602 58.350 0.252 19415 3390 1 7 . 1 1 903 903 SER CB C 903 63.762 63.762 64.432 -0.670 19415 3391 1 7 . 1 1 903 903 SER H H 903 8.354 8.354 8.179 0.175 19415 3392 1 7 . 1 1 904 904 GLY N N 904 110.847 110.847 110.350 0.497 19415 3393 1 7 . 1 1 904 904 GLY C C 904 174.889 174.889 174.242 0.647 19415 3394 1 7 . 1 1 904 904 GLY CA C 904 45.594 45.594 44.711 0.883 19415 3395 1 7 . 1 1 904 904 GLY H H 904 8.558 8.558 8.072 0.486 19415 3396 1 7 . 1 1 905 905 GLY N N 905 108.922 108.922 113.159 -4.237 19415 3397 1 7 . 1 1 905 905 GLY C C 905 174.452 174.452 174.982 -0.530 19415 3398 1 7 . 1 1 905 905 GLY CA C 905 45.549 45.549 45.201 0.348 19415 3399 1 7 . 1 1 905 905 GLY H H 905 8.307 8.307 8.324 -0.017 19415 3400 1 7 . 1 1 906 906 SER N N 906 115.224 115.224 114.412 0.812 19415 3401 1 7 . 1 1 906 906 SER HA H 906 4.552 4.552 4.493 0.059 19415 3402 1 7 . 1 1 906 906 SER C C 906 175.108 175.108 174.884 0.224 19415 3403 1 7 . 1 1 906 906 SER CA C 906 58.647 58.647 59.003 -0.356 19415 3404 1 7 . 1 1 906 906 SER CB C 906 64.091 64.091 63.670 0.421 19415 3405 1 7 . 1 1 906 906 SER H H 906 8.362 8.362 8.290 0.072 19415 3406 1 7 . 1 1 907 907 GLY N N 907 110.875 110.875 107.104 3.771 19415 3407 1 7 . 1 1 907 907 GLY C C 907 173.335 173.335 172.558 0.777 19415 3408 1 7 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.591 0.419 19415 3409 1 7 . 1 1 907 907 GLY H H 907 8.437 8.437 7.449 0.988 19415 3410 1 8 . 1 1 78 78 ILE N N 78 124.415 124.415 124.119 0.296 19415 3411 1 8 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.467 -0.425 19415 3412 1 8 . 1 1 78 78 ILE C C 78 175.260 175.260 176.042 -0.782 19415 3413 1 8 . 1 1 78 78 ILE CA C 78 60.727 60.727 60.689 0.038 19415 3414 1 8 . 1 1 78 78 ILE CB C 78 38.922 38.922 39.487 -0.565 19415 3415 1 8 . 1 1 78 78 ILE H H 78 8.025 8.025 8.534 -0.509 19415 3416 1 8 . 1 1 79 79 ARG N N 79 125.999 125.999 126.045 -0.046 19415 3417 1 8 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.502 -0.287 19415 3418 1 8 . 1 1 79 79 ARG C C 79 175.494 175.494 174.875 0.619 19415 3419 1 8 . 1 1 79 79 ARG CA C 79 55.856 55.856 56.243 -0.387 19415 3420 1 8 . 1 1 79 79 ARG CB C 79 30.774 30.774 28.771 2.003 19415 3421 1 8 . 1 1 79 79 ARG H H 79 8.249 8.249 8.726 -0.477 19415 3422 1 8 . 1 1 80 80 LEU N N 80 124.427 124.427 120.150 4.277 19415 3423 1 8 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.662 -0.370 19415 3424 1 8 . 1 1 80 80 LEU C C 80 176.785 176.785 175.282 1.503 19415 3425 1 8 . 1 1 80 80 LEU CA C 80 54.820 54.820 54.523 0.297 19415 3426 1 8 . 1 1 80 80 LEU CB C 80 42.520 42.520 45.618 -3.098 19415 3427 1 8 . 1 1 80 80 LEU H H 80 8.190 8.190 7.889 0.301 19415 3428 1 8 . 1 1 81 81 PHE N N 81 120.462 120.462 120.102 0.360 19415 3429 1 8 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.827 -0.203 19415 3430 1 8 . 1 1 81 81 PHE C C 81 176.212 176.212 176.846 -0.634 19415 3431 1 8 . 1 1 81 81 PHE CA C 81 57.570 57.570 59.351 -1.781 19415 3432 1 8 . 1 1 81 81 PHE CB C 81 39.802 39.802 39.706 0.096 19415 3433 1 8 . 1 1 81 81 PHE H H 81 8.244 8.244 8.896 -0.652 19415 3434 1 8 . 1 1 82 82 GLY N N 82 110.003 110.003 104.014 5.989 19415 3435 1 8 . 1 1 82 82 GLY C C 82 173.730 173.730 174.172 -0.442 19415 3436 1 8 . 1 1 82 82 GLY CA C 82 45.415 45.415 44.868 0.547 19415 3437 1 8 . 1 1 82 82 GLY H H 82 8.351 8.351 8.224 0.127 19415 3438 1 8 . 1 1 83 83 ASN N N 83 118.840 118.840 117.163 1.677 19415 3439 1 8 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.492 0.302 19415 3440 1 8 . 1 1 83 83 ASN C C 83 175.312 175.312 174.063 1.249 19415 3441 1 8 . 1 1 83 83 ASN CA C 83 52.996 52.996 54.368 -1.372 19415 3442 1 8 . 1 1 83 83 ASN CB C 83 39.137 39.137 37.746 1.391 19415 3443 1 8 . 1 1 83 83 ASN H H 83 8.325 8.325 8.533 -0.208 19415 3444 1 8 . 1 1 84 84 SER N N 84 116.555 116.555 116.049 0.506 19415 3445 1 8 . 1 1 84 84 SER CA C 84 58.823 58.823 58.797 0.026 19415 3446 1 8 . 1 1 84 84 SER CB C 84 63.887 63.887 64.778 -0.891 19415 3447 1 8 . 1 1 84 84 SER H H 84 8.463 8.463 8.389 0.074 19415 3448 1 8 . 1 1 85 85 GLY N N 85 109.826 109.826 110.434 -0.608 19415 3449 1 8 . 1 1 85 85 GLY C C 85 172.709 172.709 172.069 0.640 19415 3450 1 8 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.213 -0.060 19415 3451 1 8 . 1 1 85 85 GLY H H 85 8.341 8.341 7.989 0.352 19415 3452 1 8 . 1 1 86 86 ALA N N 86 122.100 122.100 126.320 -4.220 19415 3453 1 8 . 1 1 86 86 ALA HA H 86 4.447 4.447 5.040 -0.593 19415 3454 1 8 . 1 1 86 86 ALA C C 86 175.383 175.383 176.280 -0.897 19415 3455 1 8 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.069 0.454 19415 3456 1 8 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.913 -1.201 19415 3457 1 8 . 1 1 86 86 ALA H H 86 7.703 7.703 8.094 -0.391 19415 3458 1 8 . 1 1 87 87 CYS N N 87 121.922 121.922 118.965 2.957 19415 3459 1 8 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.698 -0.501 19415 3460 1 8 . 1 1 87 87 CYS C C 87 178.454 178.454 176.841 1.613 19415 3461 1 8 . 1 1 87 87 CYS CA C 87 58.515 58.515 57.993 0.521 19415 3462 1 8 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.021 3.579 19415 3463 1 8 . 1 1 87 87 CYS H H 87 7.968 7.968 8.345 -0.377 19415 3464 1 8 . 1 1 88 88 SER N N 88 126.804 126.804 121.893 4.911 19415 3465 1 8 . 1 1 88 88 SER HA H 88 4.174 4.174 4.353 -0.179 19415 3466 1 8 . 1 1 88 88 SER C C 88 173.647 173.647 174.760 -1.113 19415 3467 1 8 . 1 1 88 88 SER CA C 88 62.158 62.158 60.403 1.755 19415 3468 1 8 . 1 1 88 88 SER CB C 88 63.401 63.401 62.918 0.483 19415 3469 1 8 . 1 1 88 88 SER H H 88 9.202 9.202 8.332 0.870 19415 3470 1 8 . 1 1 89 89 ALA N N 89 123.763 123.763 122.598 1.165 19415 3471 1 8 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.671 0.165 19415 3472 1 8 . 1 1 89 89 ALA C C 89 178.007 178.007 178.245 -0.238 19415 3473 1 8 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.265 0.668 19415 3474 1 8 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.856 1.389 19415 3475 1 8 . 1 1 89 89 ALA H H 89 8.964 8.964 7.825 1.139 19415 3476 1 8 . 1 1 90 90 CYS N N 90 115.099 115.099 117.572 -2.473 19415 3477 1 8 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.643 0.389 19415 3478 1 8 . 1 1 90 90 CYS C C 90 177.164 177.164 174.891 2.273 19415 3479 1 8 . 1 1 90 90 CYS CA C 90 58.754 58.754 59.477 -0.723 19415 3480 1 8 . 1 1 90 90 CYS CB C 90 31.688 31.688 29.060 2.628 19415 3481 1 8 . 1 1 90 90 CYS H H 90 8.078 8.078 7.924 0.154 19415 3482 1 8 . 1 1 91 91 GLY N N 91 112.869 112.869 106.805 6.064 19415 3483 1 8 . 1 1 91 91 GLY C C 91 173.725 173.725 173.065 0.660 19415 3484 1 8 . 1 1 91 91 GLY CA C 91 46.303 46.303 44.943 1.360 19415 3485 1 8 . 1 1 91 91 GLY H H 91 7.996 7.996 8.149 -0.153 19415 3486 1 8 . 1 1 92 92 GLN N N 92 119.848 119.848 118.625 1.223 19415 3487 1 8 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.730 -0.155 19415 3488 1 8 . 1 1 92 92 GLN C C 92 176.015 176.015 174.685 1.330 19415 3489 1 8 . 1 1 92 92 GLN CA C 92 54.954 54.954 54.540 0.414 19415 3490 1 8 . 1 1 92 92 GLN CB C 92 30.026 30.026 31.616 -1.590 19415 3491 1 8 . 1 1 92 92 GLN H H 92 8.341 8.341 8.066 0.275 19415 3492 1 8 . 1 1 93 93 SER N N 93 116.734 116.734 114.808 1.926 19415 3493 1 8 . 1 1 93 93 SER C C 93 173.776 173.776 174.239 -0.463 19415 3494 1 8 . 1 1 93 93 SER CA C 93 59.491 59.491 58.950 0.541 19415 3495 1 8 . 1 1 93 93 SER CB C 93 63.707 63.707 63.783 -0.076 19415 3496 1 8 . 1 1 93 93 SER H H 93 8.656 8.656 8.473 0.183 19415 3497 1 8 . 1 1 94 94 ILE N N 94 126.045 126.045 124.051 1.994 19415 3498 1 8 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.651 -0.309 19415 3499 1 8 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.710 -0.185 19415 3500 1 8 . 1 1 94 94 ILE CB C 94 39.907 39.907 39.329 0.578 19415 3501 1 8 . 1 1 94 94 ILE H H 94 8.281 8.281 9.006 -0.725 19415 3502 1 8 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.675 -0.202 19415 3503 1 8 . 1 1 95 95 PRO C C 95 176.605 176.605 177.393 -0.788 19415 3504 1 8 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.149 0.703 19415 3505 1 8 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.596 0.195 19415 3506 1 8 . 1 1 96 96 ALA N N 96 122.591 122.591 122.209 0.382 19415 3507 1 8 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.250 -0.250 19415 3508 1 8 . 1 1 96 96 ALA C C 96 177.763 177.763 177.807 -0.044 19415 3509 1 8 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.982 0.623 19415 3510 1 8 . 1 1 96 96 ALA CB C 96 19.106 19.106 19.017 0.089 19415 3511 1 8 . 1 1 96 96 ALA H H 96 8.400 8.400 8.389 0.011 19415 3512 1 8 . 1 1 97 97 SER N N 97 107.288 107.288 112.081 -4.793 19415 3513 1 8 . 1 1 97 97 SER HA H 97 4.270 4.270 4.399 -0.129 19415 3514 1 8 . 1 1 97 97 SER C C 97 174.625 174.625 174.644 -0.019 19415 3515 1 8 . 1 1 97 97 SER CA C 97 58.532 58.532 58.171 0.361 19415 3516 1 8 . 1 1 97 97 SER CB C 97 63.538 63.538 63.426 0.112 19415 3517 1 8 . 1 1 97 97 SER H H 97 7.796 7.796 7.976 -0.180 19415 3518 1 8 . 1 1 98 98 GLU N N 98 124.231 124.231 121.822 2.409 19415 3519 1 8 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.480 -0.223 19415 3520 1 8 . 1 1 98 98 GLU C C 98 175.476 175.476 174.746 0.730 19415 3521 1 8 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.892 0.629 19415 3522 1 8 . 1 1 98 98 GLU CB C 98 31.081 31.081 31.367 -0.286 19415 3523 1 8 . 1 1 98 98 GLU H H 98 7.649 7.649 7.385 0.264 19415 3524 1 8 . 1 1 99 99 LEU N N 99 122.696 122.696 122.432 0.264 19415 3525 1 8 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.688 -0.183 19415 3526 1 8 . 1 1 99 99 LEU C C 99 176.253 176.253 175.953 0.300 19415 3527 1 8 . 1 1 99 99 LEU CA C 99 54.635 54.635 53.949 0.686 19415 3528 1 8 . 1 1 99 99 LEU CB C 99 42.967 42.967 43.455 -0.488 19415 3529 1 8 . 1 1 99 99 LEU H H 99 8.250 8.250 8.433 -0.183 19415 3530 1 8 . 1 1 100 100 VAL N N 100 112.933 112.933 116.032 -3.099 19415 3531 1 8 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.563 0.340 19415 3532 1 8 . 1 1 100 100 VAL C C 100 175.544 175.544 174.008 1.536 19415 3533 1 8 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.065 -0.318 19415 3534 1 8 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.440 1.458 19415 3535 1 8 . 1 1 100 100 VAL H H 100 8.934 8.934 9.188 -0.254 19415 3536 1 8 . 1 1 101 101 MET N N 101 116.964 116.964 123.747 -6.783 19415 3537 1 8 . 1 1 101 101 MET HA H 101 4.676 4.676 4.756 -0.080 19415 3538 1 8 . 1 1 101 101 MET C C 101 175.197 175.197 175.144 0.053 19415 3539 1 8 . 1 1 101 101 MET CA C 101 52.397 52.397 54.027 -1.630 19415 3540 1 8 . 1 1 101 101 MET CB C 101 34.490 34.490 33.554 0.936 19415 3541 1 8 . 1 1 101 101 MET H H 101 8.299 8.299 8.015 0.284 19415 3542 1 8 . 1 1 102 102 ARG N N 102 122.278 122.278 125.513 -3.235 19415 3543 1 8 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.422 0.732 19415 3544 1 8 . 1 1 102 102 ARG C C 102 175.008 175.008 175.333 -0.325 19415 3545 1 8 . 1 1 102 102 ARG CA C 102 54.850 54.850 55.965 -1.115 19415 3546 1 8 . 1 1 102 102 ARG CB C 102 32.335 32.335 29.907 2.428 19415 3547 1 8 . 1 1 102 102 ARG H H 102 8.112 8.112 8.452 -0.340 19415 3548 1 8 . 1 1 103 103 ALA N N 103 123.373 123.373 128.952 -5.579 19415 3549 1 8 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.523 0.076 19415 3550 1 8 . 1 1 103 103 ALA C C 103 176.137 176.137 177.470 -1.333 19415 3551 1 8 . 1 1 103 103 ALA CA C 103 52.049 52.049 53.274 -1.225 19415 3552 1 8 . 1 1 103 103 ALA CB C 103 21.835 21.835 19.938 1.897 19415 3553 1 8 . 1 1 103 103 ALA H H 103 8.129 8.129 8.874 -0.745 19415 3554 1 8 . 1 1 104 104 GLN N N 104 120.352 120.352 116.653 3.699 19415 3555 1 8 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.545 -0.743 19415 3556 1 8 . 1 1 104 104 GLN C C 104 175.032 175.032 177.106 -2.074 19415 3557 1 8 . 1 1 104 104 GLN CA C 104 56.385 56.385 55.218 1.167 19415 3558 1 8 . 1 1 104 104 GLN CB C 104 25.801 25.801 29.763 -3.962 19415 3559 1 8 . 1 1 104 104 GLN H H 104 9.312 9.312 7.689 1.623 19415 3560 1 8 . 1 1 105 105 GLY N N 105 105.580 105.580 108.229 -2.649 19415 3561 1 8 . 1 1 105 105 GLY C C 105 173.414 173.414 174.700 -1.286 19415 3562 1 8 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.284 0.191 19415 3563 1 8 . 1 1 105 105 GLY H H 105 8.493 8.493 8.590 -0.097 19415 3564 1 8 . 1 1 106 106 ASN N N 106 120.347 120.347 118.342 2.005 19415 3565 1 8 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.819 0.001 19415 3566 1 8 . 1 1 106 106 ASN C C 106 174.060 174.060 173.554 0.506 19415 3567 1 8 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.340 -0.563 19415 3568 1 8 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.795 0.809 19415 3569 1 8 . 1 1 106 106 ASN H H 106 8.085 8.085 7.723 0.362 19415 3570 1 8 . 1 1 107 107 VAL N N 107 118.992 118.992 118.130 0.862 19415 3571 1 8 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.269 0.505 19415 3572 1 8 . 1 1 107 107 VAL C C 107 173.066 173.066 173.997 -0.931 19415 3573 1 8 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.026 0.550 19415 3574 1 8 . 1 1 107 107 VAL CB C 107 34.475 34.475 32.273 2.202 19415 3575 1 8 . 1 1 107 107 VAL H H 107 8.207 8.207 8.113 0.094 19415 3576 1 8 . 1 1 108 108 TYR N N 108 121.397 121.397 121.167 0.230 19415 3577 1 8 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.818 1.112 19415 3578 1 8 . 1 1 108 108 TYR C C 108 177.709 177.709 175.853 1.856 19415 3579 1 8 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.073 -0.071 19415 3580 1 8 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.488 0.450 19415 3581 1 8 . 1 1 108 108 TYR H H 108 8.681 8.681 7.886 0.795 19415 3582 1 8 . 1 1 109 109 HIS N N 109 120.399 120.399 118.277 2.122 19415 3583 1 8 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.690 0.067 19415 3584 1 8 . 1 1 109 109 HIS C C 109 178.297 178.297 176.151 2.146 19415 3585 1 8 . 1 1 109 109 HIS CA C 109 59.269 59.269 55.911 3.358 19415 3586 1 8 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.312 0.127 19415 3587 1 8 . 1 1 109 109 HIS H H 109 8.681 8.681 8.578 0.103 19415 3588 1 8 . 1 1 110 110 LEU N N 110 124.629 124.629 116.476 8.153 19415 3589 1 8 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.600 -0.718 19415 3590 1 8 . 1 1 110 110 LEU C C 110 180.956 180.956 177.763 3.193 19415 3591 1 8 . 1 1 110 110 LEU CA C 110 60.072 60.072 56.939 3.133 19415 3592 1 8 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.739 -2.257 19415 3593 1 8 . 1 1 110 110 LEU H H 110 8.924 8.924 8.429 0.495 19415 3594 1 8 . 1 1 111 111 LYS N N 111 112.542 112.542 117.032 -4.490 19415 3595 1 8 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.202 -0.206 19415 3596 1 8 . 1 1 111 111 LYS C C 111 176.711 176.711 177.217 -0.506 19415 3597 1 8 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.356 -0.419 19415 3598 1 8 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.711 -0.002 19415 3599 1 8 . 1 1 111 111 LYS H H 111 8.586 8.586 8.270 0.316 19415 3600 1 8 . 1 1 112 112 CYS N N 112 117.897 117.897 115.540 2.357 19415 3601 1 8 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.767 -0.375 19415 3602 1 8 . 1 1 112 112 CYS C C 112 173.923 173.923 175.520 -1.597 19415 3603 1 8 . 1 1 112 112 CYS CA C 112 60.255 60.255 57.440 2.815 19415 3604 1 8 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.353 5.081 19415 3605 1 8 . 1 1 112 112 CYS H H 112 7.439 7.439 8.172 -0.733 19415 3606 1 8 . 1 1 113 113 PHE N N 113 126.150 126.150 125.222 0.928 19415 3607 1 8 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.358 -0.277 19415 3608 1 8 . 1 1 113 113 PHE C C 113 172.777 172.777 173.879 -1.102 19415 3609 1 8 . 1 1 113 113 PHE CA C 113 57.131 57.131 56.217 0.914 19415 3610 1 8 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.374 -0.565 19415 3611 1 8 . 1 1 113 113 PHE H H 113 7.467 7.467 8.294 -0.827 19415 3612 1 8 . 1 1 114 114 THR N N 114 112.302 112.302 115.198 -2.896 19415 3613 1 8 . 1 1 114 114 THR HA H 114 4.577 4.577 5.318 -0.741 19415 3614 1 8 . 1 1 114 114 THR C C 114 172.592 172.592 174.249 -1.657 19415 3615 1 8 . 1 1 114 114 THR CA C 114 57.922 57.922 59.290 -1.368 19415 3616 1 8 . 1 1 114 114 THR CB C 114 72.187 72.187 71.665 0.522 19415 3617 1 8 . 1 1 114 114 THR H H 114 6.895 6.895 7.921 -1.026 19415 3618 1 8 . 1 1 115 115 CYS N N 115 121.388 121.388 120.422 0.966 19415 3619 1 8 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.787 -0.997 19415 3620 1 8 . 1 1 115 115 CYS C C 115 177.309 177.309 176.318 0.991 19415 3621 1 8 . 1 1 115 115 CYS CA C 115 59.284 59.284 57.229 2.055 19415 3622 1 8 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.603 3.018 19415 3623 1 8 . 1 1 115 115 CYS H H 115 7.981 7.981 8.495 -0.514 19415 3624 1 8 . 1 1 116 116 SER N N 116 127.333 127.333 119.719 7.614 19415 3625 1 8 . 1 1 116 116 SER HA H 116 4.066 4.066 4.587 -0.521 19415 3626 1 8 . 1 1 116 116 SER C C 116 174.522 174.522 175.221 -0.699 19415 3627 1 8 . 1 1 116 116 SER CA C 116 61.507 61.507 60.122 1.385 19415 3628 1 8 . 1 1 116 116 SER CB C 116 63.619 63.619 62.756 0.863 19415 3629 1 8 . 1 1 116 116 SER H H 116 9.064 9.064 8.966 0.098 19415 3630 1 8 . 1 1 117 117 THR N N 117 121.020 121.020 116.189 4.831 19415 3631 1 8 . 1 1 117 117 THR HA H 117 4.384 4.384 4.506 -0.122 19415 3632 1 8 . 1 1 117 117 THR C C 117 174.713 174.713 175.491 -0.778 19415 3633 1 8 . 1 1 117 117 THR CA C 117 65.378 65.378 63.829 1.549 19415 3634 1 8 . 1 1 117 117 THR CB C 117 69.656 69.656 69.296 0.360 19415 3635 1 8 . 1 1 117 117 THR H H 117 8.939 8.939 8.302 0.637 19415 3636 1 8 . 1 1 118 118 CYS N N 118 120.215 120.215 117.173 3.042 19415 3637 1 8 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.886 -0.538 19415 3638 1 8 . 1 1 118 118 CYS C C 118 176.041 176.041 174.178 1.863 19415 3639 1 8 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.705 1.782 19415 3640 1 8 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.412 0.412 19415 3641 1 8 . 1 1 118 118 CYS H H 118 8.180 8.180 7.871 0.309 19415 3642 1 8 . 1 1 119 119 ARG N N 119 114.664 114.664 119.278 -4.614 19415 3643 1 8 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.049 0.062 19415 3644 1 8 . 1 1 119 119 ARG C C 119 174.910 174.910 174.573 0.337 19415 3645 1 8 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.629 0.944 19415 3646 1 8 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.935 -1.577 19415 3647 1 8 . 1 1 119 119 ARG H H 119 7.545 7.545 8.055 -0.510 19415 3648 1 8 . 1 1 120 120 ASN N N 120 118.962 118.962 118.556 0.406 19415 3649 1 8 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.631 0.121 19415 3650 1 8 . 1 1 120 120 ASN C C 120 175.950 175.950 175.258 0.692 19415 3651 1 8 . 1 1 120 120 ASN CA C 120 53.504 53.504 52.873 0.631 19415 3652 1 8 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.471 -0.173 19415 3653 1 8 . 1 1 120 120 ASN H H 120 8.232 8.232 8.108 0.124 19415 3654 1 8 . 1 1 121 121 ARG N N 121 122.104 122.104 125.744 -3.640 19415 3655 1 8 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.430 -0.445 19415 3656 1 8 . 1 1 121 121 ARG C C 121 175.638 175.638 176.052 -0.414 19415 3657 1 8 . 1 1 121 121 ARG CA C 121 57.184 57.184 55.663 1.520 19415 3658 1 8 . 1 1 121 121 ARG CB C 121 30.567 30.567 29.621 0.946 19415 3659 1 8 . 1 1 121 121 ARG H H 121 8.603 8.603 8.608 -0.005 19415 3660 1 8 . 1 1 122 122 LEU N N 122 127.225 127.225 127.031 0.194 19415 3661 1 8 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.241 0.288 19415 3662 1 8 . 1 1 122 122 LEU C C 122 175.345 175.345 175.249 0.096 19415 3663 1 8 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.475 -1.648 19415 3664 1 8 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.536 -0.964 19415 3665 1 8 . 1 1 122 122 LEU H H 122 8.094 8.094 8.354 -0.260 19415 3666 1 8 . 1 1 123 123 VAL N N 123 121.030 121.030 119.376 1.654 19415 3667 1 8 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.434 0.041 19415 3668 1 8 . 1 1 123 123 VAL C C 123 173.190 173.190 173.926 -0.736 19415 3669 1 8 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.576 0.455 19415 3670 1 8 . 1 1 123 123 VAL CB C 123 31.454 31.454 35.492 -4.038 19415 3671 1 8 . 1 1 123 123 VAL H H 123 8.416 8.416 8.196 0.220 19415 3672 1 8 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.364 -0.724 19415 3673 1 8 . 1 1 124 124 PRO C C 124 177.425 177.425 177.435 -0.010 19415 3674 1 8 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.546 0.486 19415 3675 1 8 . 1 1 124 124 PRO CB C 124 31.235 31.235 29.968 1.267 19415 3676 1 8 . 1 1 125 125 GLY N N 125 113.120 113.120 114.880 -1.760 19415 3677 1 8 . 1 1 125 125 GLY C C 125 174.384 174.384 174.077 0.307 19415 3678 1 8 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.847 0.256 19415 3679 1 8 . 1 1 125 125 GLY H H 125 8.574 8.574 8.657 -0.083 19415 3680 1 8 . 1 1 126 126 ASP N N 126 122.488 122.488 121.977 0.511 19415 3681 1 8 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.960 -0.237 19415 3682 1 8 . 1 1 126 126 ASP C C 126 176.558 176.558 174.861 1.697 19415 3683 1 8 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.999 1.325 19415 3684 1 8 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.166 -1.565 19415 3685 1 8 . 1 1 126 126 ASP H H 126 8.476 8.476 8.319 0.157 19415 3686 1 8 . 1 1 127 127 ARG N N 127 122.074 122.074 117.826 4.248 19415 3687 1 8 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.323 -0.276 19415 3688 1 8 . 1 1 127 127 ARG C C 127 175.671 175.671 175.754 -0.083 19415 3689 1 8 . 1 1 127 127 ARG CA C 127 55.559 55.559 55.402 0.157 19415 3690 1 8 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.476 -0.614 19415 3691 1 8 . 1 1 127 127 ARG H H 127 8.697 8.697 8.448 0.249 19415 3692 1 8 . 1 1 128 128 PHE N N 128 120.179 120.179 119.087 1.092 19415 3693 1 8 . 1 1 128 128 PHE HA H 128 5.194 5.194 5.055 0.139 19415 3694 1 8 . 1 1 128 128 PHE C C 128 171.304 171.304 172.939 -1.635 19415 3695 1 8 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.268 -0.841 19415 3696 1 8 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.289 1.224 19415 3697 1 8 . 1 1 128 128 PHE H H 128 8.869 8.869 8.922 -0.053 19415 3698 1 8 . 1 1 129 129 HIS N N 129 118.586 118.586 120.800 -2.214 19415 3699 1 8 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.610 0.071 19415 3700 1 8 . 1 1 129 129 HIS C C 129 173.764 173.764 173.450 0.314 19415 3701 1 8 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.756 0.054 19415 3702 1 8 . 1 1 129 129 HIS CB C 129 34.983 34.983 32.500 2.483 19415 3703 1 8 . 1 1 129 129 HIS H H 129 9.292 9.292 8.997 0.295 19415 3704 1 8 . 1 1 130 130 TYR N N 130 125.995 125.995 128.718 -2.723 19415 3705 1 8 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.519 0.200 19415 3706 1 8 . 1 1 130 130 TYR C C 130 174.625 174.625 174.535 0.090 19415 3707 1 8 . 1 1 130 130 TYR CA C 130 56.182 56.182 57.074 -0.892 19415 3708 1 8 . 1 1 130 130 TYR CB C 130 40.279 40.279 38.773 1.506 19415 3709 1 8 . 1 1 130 130 TYR H H 130 8.865 8.865 8.300 0.565 19415 3710 1 8 . 1 1 131 131 ILE N N 131 126.610 126.610 127.305 -0.695 19415 3711 1 8 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.224 0.099 19415 3712 1 8 . 1 1 131 131 ILE C C 131 175.516 175.516 175.182 0.334 19415 3713 1 8 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.432 -0.705 19415 3714 1 8 . 1 1 131 131 ILE CB C 131 41.170 41.170 40.916 0.254 19415 3715 1 8 . 1 1 131 131 ILE H H 131 8.889 8.889 7.910 0.979 19415 3716 1 8 . 1 1 132 132 ASN N N 132 126.614 126.614 124.779 1.835 19415 3717 1 8 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.374 -0.013 19415 3718 1 8 . 1 1 132 132 ASN C C 132 175.421 175.421 175.721 -0.300 19415 3719 1 8 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.403 0.530 19415 3720 1 8 . 1 1 132 132 ASN CB C 132 37.340 37.340 38.169 -0.829 19415 3721 1 8 . 1 1 132 132 ASN H H 132 9.375 9.375 9.143 0.232 19415 3722 1 8 . 1 1 133 133 GLY N N 133 102.667 102.667 102.437 0.230 19415 3723 1 8 . 1 1 133 133 GLY C C 133 173.969 173.969 173.505 0.464 19415 3724 1 8 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.283 0.112 19415 3725 1 8 . 1 1 133 133 GLY H H 133 7.417 7.417 8.158 -0.741 19415 3726 1 8 . 1 1 134 134 SER N N 134 117.123 117.123 114.504 2.619 19415 3727 1 8 . 1 1 134 134 SER HA H 134 4.743 4.743 4.533 0.210 19415 3728 1 8 . 1 1 134 134 SER C C 134 170.825 170.825 172.551 -1.726 19415 3729 1 8 . 1 1 134 134 SER CA C 134 57.754 57.754 57.007 0.747 19415 3730 1 8 . 1 1 134 134 SER CB C 134 66.060 66.060 66.135 -0.076 19415 3731 1 8 . 1 1 134 134 SER H H 134 7.639 7.639 7.010 0.629 19415 3732 1 8 . 1 1 135 135 LEU N N 135 122.242 122.242 122.642 -0.400 19415 3733 1 8 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.818 0.396 19415 3734 1 8 . 1 1 135 135 LEU C C 135 177.735 177.735 175.158 2.577 19415 3735 1 8 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.278 -0.849 19415 3736 1 8 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.159 2.526 19415 3737 1 8 . 1 1 135 135 LEU H H 135 8.236 8.236 8.179 0.057 19415 3738 1 8 . 1 1 136 136 PHE N N 136 118.689 118.689 120.501 -1.812 19415 3739 1 8 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.004 0.986 19415 3740 1 8 . 1 1 136 136 PHE C C 136 175.971 175.971 175.396 0.575 19415 3741 1 8 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.513 0.391 19415 3742 1 8 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.277 1.052 19415 3743 1 8 . 1 1 136 136 PHE H H 136 9.221 9.221 8.925 0.296 19415 3744 1 8 . 1 1 137 137 CYS N N 137 121.328 121.328 116.143 5.185 19415 3745 1 8 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.167 -0.201 19415 3746 1 8 . 1 1 137 137 CYS C C 137 175.030 175.030 175.387 -0.357 19415 3747 1 8 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.279 1.274 19415 3748 1 8 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.765 -1.540 19415 3749 1 8 . 1 1 137 137 CYS H H 137 9.716 9.716 9.458 0.258 19415 3750 1 8 . 1 1 138 138 GLU N N 138 118.055 118.055 120.385 -2.330 19415 3751 1 8 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.340 -0.197 19415 3752 1 8 . 1 1 138 138 GLU C C 138 178.535 178.535 177.122 1.413 19415 3753 1 8 . 1 1 138 138 GLU CA C 138 59.569 59.569 58.265 1.304 19415 3754 1 8 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.639 0.256 19415 3755 1 8 . 1 1 138 138 GLU H H 138 8.476 8.476 9.089 -0.613 19415 3756 1 8 . 1 1 139 139 HIS N N 139 117.190 117.190 117.530 -0.340 19415 3757 1 8 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.452 -0.022 19415 3758 1 8 . 1 1 139 139 HIS C C 139 175.584 175.584 176.106 -0.522 19415 3759 1 8 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.266 -0.135 19415 3760 1 8 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.729 -1.783 19415 3761 1 8 . 1 1 139 139 HIS H H 139 8.365 8.365 7.785 0.580 19415 3762 1 8 . 1 1 140 140 ASP N N 140 118.373 118.373 117.820 0.553 19415 3763 1 8 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.617 0.339 19415 3764 1 8 . 1 1 140 140 ASP C C 140 174.258 174.258 176.257 -1.999 19415 3765 1 8 . 1 1 140 140 ASP CA C 140 54.319 54.319 54.530 -0.211 19415 3766 1 8 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.619 0.698 19415 3767 1 8 . 1 1 140 140 ASP H H 140 8.082 8.082 7.724 0.358 19415 3768 1 8 . 1 1 141 141 ARG N N 141 121.880 121.880 119.945 1.935 19415 3769 1 8 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.651 -0.035 19415 3770 1 8 . 1 1 141 141 ARG C C 141 173.939 173.939 173.666 0.273 19415 3771 1 8 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.881 -1.159 19415 3772 1 8 . 1 1 141 141 ARG CB C 141 29.423 29.423 29.243 0.180 19415 3773 1 8 . 1 1 141 141 ARG H H 141 7.120 7.120 8.222 -1.102 19415 3774 1 8 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.317 -0.067 19415 3775 1 8 . 1 1 142 142 PRO C C 142 176.688 176.688 176.507 0.181 19415 3776 1 8 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.391 0.308 19415 3777 1 8 . 1 1 142 142 PRO CB C 142 31.249 31.249 30.546 0.703 19415 3778 1 8 . 1 1 143 143 THR N N 143 115.472 115.472 119.111 -3.639 19415 3779 1 8 . 1 1 143 143 THR HA H 143 3.924 3.924 4.128 -0.204 19415 3780 1 8 . 1 1 143 143 THR C C 143 174.890 174.890 173.885 1.005 19415 3781 1 8 . 1 1 143 143 THR CA C 143 63.099 63.099 63.064 0.035 19415 3782 1 8 . 1 1 143 143 THR CB C 143 69.197 69.197 66.654 2.543 19415 3783 1 8 . 1 1 143 143 THR H H 143 8.015 8.015 8.255 -0.240 19415 3784 1 8 . 1 1 144 144 ALA N N 144 124.502 124.502 125.134 -0.632 19415 3785 1 8 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.367 -0.167 19415 3786 1 8 . 1 1 144 144 ALA C C 144 177.656 177.656 176.917 0.739 19415 3787 1 8 . 1 1 144 144 ALA CA C 144 52.807 52.807 53.051 -0.244 19415 3788 1 8 . 1 1 144 144 ALA CB C 144 19.005 19.005 19.991 -0.986 19415 3789 1 8 . 1 1 144 144 ALA H H 144 8.130 8.130 8.331 -0.201 19415 3790 1 8 . 1 1 145 145 LEU N N 145 119.506 119.506 122.541 -3.035 19415 3791 1 8 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.388 -0.112 19415 3792 1 8 . 1 1 145 145 LEU C C 145 177.574 177.574 175.286 2.288 19415 3793 1 8 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.794 0.273 19415 3794 1 8 . 1 1 145 145 LEU CB C 145 42.231 42.231 40.973 1.258 19415 3795 1 8 . 1 1 145 145 LEU H H 145 7.897 7.897 8.037 -0.140 19415 3796 1 8 . 1 1 146 146 ILE N N 146 120.683 120.683 116.921 3.762 19415 3797 1 8 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.417 -0.362 19415 3798 1 8 . 1 1 146 146 ILE C C 146 176.259 176.259 175.057 1.202 19415 3799 1 8 . 1 1 146 146 ILE CA C 146 61.486 61.486 59.589 1.897 19415 3800 1 8 . 1 1 146 146 ILE CB C 146 38.629 38.629 40.764 -2.135 19415 3801 1 8 . 1 1 146 146 ILE H H 146 7.842 7.842 7.408 0.434 19415 3802 1 8 . 1 1 405 405 ALA N N 405 133.214 133.214 130.054 3.160 19415 3803 1 8 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.528 -0.057 19415 3804 1 8 . 1 1 405 405 ALA CA C 405 50.818 50.818 50.865 -0.047 19415 3805 1 8 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.464 -1.417 19415 3806 1 8 . 1 1 405 405 ALA H H 405 9.651 9.651 8.776 0.875 19415 3807 1 8 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.361 0.226 19415 3808 1 8 . 1 1 406 406 PRO C C 406 174.175 174.175 176.718 -2.543 19415 3809 1 8 . 1 1 406 406 PRO CA C 406 61.942 61.942 64.403 -2.461 19415 3810 1 8 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.224 0.764 19415 3811 1 8 . 1 1 407 407 PHE N N 407 113.077 113.077 113.239 -0.162 19415 3812 1 8 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.709 -0.205 19415 3813 1 8 . 1 1 407 407 PHE C C 407 174.954 174.954 172.854 2.100 19415 3814 1 8 . 1 1 407 407 PHE CA C 407 57.263 57.263 56.277 0.986 19415 3815 1 8 . 1 1 407 407 PHE CB C 407 38.318 38.318 41.853 -3.535 19415 3816 1 8 . 1 1 407 407 PHE H H 407 7.899 7.899 7.896 0.003 19415 3817 1 8 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.592 0.161 19415 3818 1 8 . 1 1 408 408 PRO C C 408 175.865 175.865 175.581 0.284 19415 3819 1 8 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.832 0.094 19415 3820 1 8 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.391 2.066 19415 3821 1 8 . 1 1 409 409 GLU N N 409 119.349 119.349 124.974 -5.625 19415 3822 1 8 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.633 0.090 19415 3823 1 8 . 1 1 409 409 GLU C C 409 174.291 174.291 175.231 -0.940 19415 3824 1 8 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.547 -0.367 19415 3825 1 8 . 1 1 409 409 GLU CB C 409 34.429 34.429 33.987 0.442 19415 3826 1 8 . 1 1 409 409 GLU H H 409 8.813 8.813 8.840 -0.027 19415 3827 1 8 . 1 1 410 410 ALA N N 410 124.017 124.017 122.911 1.106 19415 3828 1 8 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.685 -0.354 19415 3829 1 8 . 1 1 410 410 ALA C C 410 178.181 178.181 176.871 1.310 19415 3830 1 8 . 1 1 410 410 ALA CA C 410 52.241 52.241 51.972 0.269 19415 3831 1 8 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.184 -0.082 19415 3832 1 8 . 1 1 410 410 ALA H H 410 8.562 8.562 8.452 0.110 19415 3833 1 8 . 1 1 411 411 ALA N N 411 124.837 124.837 128.499 -3.662 19415 3834 1 8 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.248 -0.319 19415 3835 1 8 . 1 1 411 411 ALA C C 411 178.042 178.042 176.821 1.221 19415 3836 1 8 . 1 1 411 411 ALA CA C 411 54.247 54.247 53.128 1.119 19415 3837 1 8 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.179 -0.449 19415 3838 1 8 . 1 1 411 411 ALA H H 411 8.475 8.475 8.414 0.061 19415 3839 1 8 . 1 1 412 412 LEU N N 412 119.893 119.893 121.073 -1.180 19415 3840 1 8 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.734 -0.026 19415 3841 1 8 . 1 1 412 412 LEU C C 412 174.281 174.281 174.559 -0.278 19415 3842 1 8 . 1 1 412 412 LEU CA C 412 52.130 52.130 51.737 0.393 19415 3843 1 8 . 1 1 412 412 LEU CB C 412 42.645 42.645 44.309 -1.664 19415 3844 1 8 . 1 1 412 412 LEU H H 412 8.075 8.075 7.848 0.227 19415 3845 1 8 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.942 -0.489 19415 3846 1 8 . 1 1 413 413 PRO C C 413 177.094 177.094 176.562 0.532 19415 3847 1 8 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.405 0.596 19415 3848 1 8 . 1 1 413 413 PRO CB C 413 32.179 32.179 31.842 0.337 19415 3849 1 8 . 1 1 414 414 THR N N 414 114.256 114.256 117.218 -2.962 19415 3850 1 8 . 1 1 414 414 THR HA H 414 4.294 4.294 4.661 -0.367 19415 3851 1 8 . 1 1 414 414 THR C C 414 174.480 174.480 174.411 0.069 19415 3852 1 8 . 1 1 414 414 THR CA C 414 61.757 61.757 61.215 0.542 19415 3853 1 8 . 1 1 414 414 THR CB C 414 69.712 69.712 71.811 -2.099 19415 3854 1 8 . 1 1 414 414 THR H H 414 8.177 8.177 7.988 0.189 19415 3855 1 8 . 1 1 415 415 SER N N 415 117.918 117.918 114.969 2.949 19415 3856 1 8 . 1 1 415 415 SER HA H 415 4.424 4.424 4.089 0.335 19415 3857 1 8 . 1 1 415 415 SER C C 415 173.689 173.689 173.587 0.102 19415 3858 1 8 . 1 1 415 415 SER CA C 415 58.072 58.072 59.777 -1.705 19415 3859 1 8 . 1 1 415 415 SER CB C 415 63.852 63.852 62.956 0.895 19415 3860 1 8 . 1 1 415 415 SER H H 415 8.193 8.193 8.193 0.000 19415 3861 1 8 . 1 1 416 416 HIS N N 416 121.537 121.537 120.557 0.980 19415 3862 1 8 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.785 0.157 19415 3863 1 8 . 1 1 416 416 HIS C C 416 172.547 172.547 173.798 -1.251 19415 3864 1 8 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.106 -0.404 19415 3865 1 8 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.767 -1.305 19415 3866 1 8 . 1 1 416 416 HIS H H 416 8.373 8.373 8.628 -0.255 19415 3867 1 8 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.361 0.060 19415 3868 1 8 . 1 1 417 417 PRO C C 417 176.060 176.060 177.698 -1.638 19415 3869 1 8 . 1 1 417 417 PRO CA C 417 63.448 63.448 64.123 -0.675 19415 3870 1 8 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.395 -0.236 19415 3871 1 8 . 1 1 902 902 GLY N N 902 108.524 108.524 108.457 0.067 19415 3872 1 8 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.421 0.938 19415 3873 1 8 . 1 1 902 902 GLY H H 902 8.196 8.196 8.086 0.110 19415 3874 1 8 . 1 1 903 903 SER N N 903 115.821 115.821 122.188 -6.367 19415 3875 1 8 . 1 1 903 903 SER HA H 903 4.403 4.403 4.198 0.205 19415 3876 1 8 . 1 1 903 903 SER CA C 903 58.602 58.602 59.230 -0.628 19415 3877 1 8 . 1 1 903 903 SER CB C 903 63.762 63.762 62.724 1.038 19415 3878 1 8 . 1 1 903 903 SER H H 903 8.354 8.354 8.533 -0.179 19415 3879 1 8 . 1 1 904 904 GLY N N 904 110.847 110.847 114.634 -3.787 19415 3880 1 8 . 1 1 904 904 GLY C C 904 174.889 174.889 174.582 0.307 19415 3881 1 8 . 1 1 904 904 GLY CA C 904 45.594 45.594 45.280 0.314 19415 3882 1 8 . 1 1 904 904 GLY H H 904 8.558 8.558 9.109 -0.551 19415 3883 1 8 . 1 1 905 905 GLY N N 905 108.922 108.922 108.303 0.619 19415 3884 1 8 . 1 1 905 905 GLY C C 905 174.452 174.452 173.939 0.513 19415 3885 1 8 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.897 0.652 19415 3886 1 8 . 1 1 905 905 GLY H H 905 8.307 8.307 7.531 0.776 19415 3887 1 8 . 1 1 906 906 SER N N 906 115.224 115.224 114.060 1.164 19415 3888 1 8 . 1 1 906 906 SER HA H 906 4.552 4.552 4.028 0.524 19415 3889 1 8 . 1 1 906 906 SER C C 906 175.108 175.108 173.367 1.741 19415 3890 1 8 . 1 1 906 906 SER CA C 906 58.647 58.647 59.644 -0.997 19415 3891 1 8 . 1 1 906 906 SER CB C 906 64.091 64.091 62.271 1.820 19415 3892 1 8 . 1 1 906 906 SER H H 906 8.362 8.362 8.419 -0.057 19415 3893 1 8 . 1 1 907 907 GLY N N 907 110.875 110.875 106.131 4.744 19415 3894 1 8 . 1 1 907 907 GLY C C 907 173.335 173.335 173.083 0.252 19415 3895 1 8 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.717 0.293 19415 3896 1 8 . 1 1 907 907 GLY H H 907 8.437 8.437 7.694 0.743 19415 3897 1 9 . 1 1 78 78 ILE N N 78 124.415 124.415 121.087 3.328 19415 3898 1 9 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.345 -0.303 19415 3899 1 9 . 1 1 78 78 ILE C C 78 175.260 175.260 174.672 0.588 19415 3900 1 9 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.207 -0.480 19415 3901 1 9 . 1 1 78 78 ILE CB C 78 38.922 38.922 38.930 -0.008 19415 3902 1 9 . 1 1 78 78 ILE H H 78 8.025 8.025 8.067 -0.042 19415 3903 1 9 . 1 1 79 79 ARG N N 79 125.999 125.999 127.418 -1.419 19415 3904 1 9 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.551 -0.336 19415 3905 1 9 . 1 1 79 79 ARG C C 79 175.494 175.494 174.909 0.585 19415 3906 1 9 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.893 -0.037 19415 3907 1 9 . 1 1 79 79 ARG CB C 79 30.774 30.774 32.210 -1.436 19415 3908 1 9 . 1 1 79 79 ARG H H 79 8.249 8.249 8.596 -0.347 19415 3909 1 9 . 1 1 80 80 LEU N N 80 124.427 124.427 120.053 4.374 19415 3910 1 9 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.664 -0.372 19415 3911 1 9 . 1 1 80 80 LEU C C 80 176.785 176.785 176.888 -0.103 19415 3912 1 9 . 1 1 80 80 LEU CA C 80 54.820 54.820 54.577 0.243 19415 3913 1 9 . 1 1 80 80 LEU CB C 80 42.520 42.520 41.656 0.864 19415 3914 1 9 . 1 1 80 80 LEU H H 80 8.190 8.190 7.669 0.521 19415 3915 1 9 . 1 1 81 81 PHE N N 81 120.462 120.462 123.249 -2.787 19415 3916 1 9 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.351 0.273 19415 3917 1 9 . 1 1 81 81 PHE C C 81 176.212 176.212 177.058 -0.846 19415 3918 1 9 . 1 1 81 81 PHE CA C 81 57.570 57.570 60.008 -2.438 19415 3919 1 9 . 1 1 81 81 PHE CB C 81 39.802 39.802 38.971 0.831 19415 3920 1 9 . 1 1 81 81 PHE H H 81 8.244 8.244 8.606 -0.362 19415 3921 1 9 . 1 1 82 82 GLY N N 82 110.003 110.003 105.653 4.350 19415 3922 1 9 . 1 1 82 82 GLY C C 82 173.730 173.730 174.368 -0.638 19415 3923 1 9 . 1 1 82 82 GLY CA C 82 45.415 45.415 44.187 1.228 19415 3924 1 9 . 1 1 82 82 GLY H H 82 8.351 8.351 8.069 0.282 19415 3925 1 9 . 1 1 83 83 ASN N N 83 118.840 118.840 124.364 -5.524 19415 3926 1 9 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.639 0.155 19415 3927 1 9 . 1 1 83 83 ASN C C 83 175.312 175.312 175.691 -0.379 19415 3928 1 9 . 1 1 83 83 ASN CA C 83 52.996 52.996 54.108 -1.112 19415 3929 1 9 . 1 1 83 83 ASN CB C 83 39.137 39.137 38.412 0.725 19415 3930 1 9 . 1 1 83 83 ASN H H 83 8.325 8.325 8.672 -0.347 19415 3931 1 9 . 1 1 84 84 SER N N 84 116.555 116.555 113.615 2.940 19415 3932 1 9 . 1 1 84 84 SER CA C 84 58.823 58.823 59.260 -0.437 19415 3933 1 9 . 1 1 84 84 SER CB C 84 63.887 63.887 64.027 -0.140 19415 3934 1 9 . 1 1 84 84 SER H H 84 8.463 8.463 8.338 0.125 19415 3935 1 9 . 1 1 85 85 GLY N N 85 109.826 109.826 108.076 1.750 19415 3936 1 9 . 1 1 85 85 GLY C C 85 172.709 172.709 171.598 1.111 19415 3937 1 9 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.632 -0.478 19415 3938 1 9 . 1 1 85 85 GLY H H 85 8.341 8.341 7.475 0.866 19415 3939 1 9 . 1 1 86 86 ALA N N 86 122.100 122.100 119.694 2.406 19415 3940 1 9 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.839 -0.392 19415 3941 1 9 . 1 1 86 86 ALA C C 86 175.383 175.383 175.356 0.027 19415 3942 1 9 . 1 1 86 86 ALA CA C 86 50.523 50.523 51.132 -0.609 19415 3943 1 9 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.937 -1.225 19415 3944 1 9 . 1 1 86 86 ALA H H 86 7.703 7.703 8.073 -0.370 19415 3945 1 9 . 1 1 87 87 CYS N N 87 121.922 121.922 118.567 3.355 19415 3946 1 9 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.844 -0.647 19415 3947 1 9 . 1 1 87 87 CYS C C 87 178.454 178.454 176.662 1.792 19415 3948 1 9 . 1 1 87 87 CYS CA C 87 58.515 58.515 57.678 0.837 19415 3949 1 9 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.523 3.078 19415 3950 1 9 . 1 1 87 87 CYS H H 87 7.968 7.968 8.240 -0.272 19415 3951 1 9 . 1 1 88 88 SER N N 88 126.804 126.804 122.821 3.983 19415 3952 1 9 . 1 1 88 88 SER HA H 88 4.174 4.174 4.356 -0.182 19415 3953 1 9 . 1 1 88 88 SER C C 88 173.647 173.647 174.424 -0.777 19415 3954 1 9 . 1 1 88 88 SER CA C 88 62.158 62.158 60.264 1.894 19415 3955 1 9 . 1 1 88 88 SER CB C 88 63.401 63.401 62.340 1.061 19415 3956 1 9 . 1 1 88 88 SER H H 88 9.202 9.202 8.368 0.834 19415 3957 1 9 . 1 1 89 89 ALA N N 89 123.763 123.763 123.054 0.709 19415 3958 1 9 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.553 0.283 19415 3959 1 9 . 1 1 89 89 ALA C C 89 178.007 178.007 178.025 -0.018 19415 3960 1 9 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.394 0.539 19415 3961 1 9 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.924 1.321 19415 3962 1 9 . 1 1 89 89 ALA H H 89 8.964 8.964 7.977 0.987 19415 3963 1 9 . 1 1 90 90 CYS N N 90 115.099 115.099 117.507 -2.408 19415 3964 1 9 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.524 0.508 19415 3965 1 9 . 1 1 90 90 CYS C C 90 177.164 177.164 175.574 1.590 19415 3966 1 9 . 1 1 90 90 CYS CA C 90 58.754 58.754 59.658 -0.904 19415 3967 1 9 . 1 1 90 90 CYS CB C 90 31.688 31.688 28.262 3.426 19415 3968 1 9 . 1 1 90 90 CYS H H 90 8.078 8.078 8.002 0.076 19415 3969 1 9 . 1 1 91 91 GLY N N 91 112.869 112.869 106.284 6.585 19415 3970 1 9 . 1 1 91 91 GLY C C 91 173.725 173.725 173.537 0.188 19415 3971 1 9 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.549 0.754 19415 3972 1 9 . 1 1 91 91 GLY H H 91 7.996 7.996 8.339 -0.343 19415 3973 1 9 . 1 1 92 92 GLN N N 92 119.848 119.848 118.408 1.440 19415 3974 1 9 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.649 -0.074 19415 3975 1 9 . 1 1 92 92 GLN C C 92 176.015 176.015 175.865 0.150 19415 3976 1 9 . 1 1 92 92 GLN CA C 92 54.954 54.954 54.201 0.753 19415 3977 1 9 . 1 1 92 92 GLN CB C 92 30.026 30.026 31.743 -1.717 19415 3978 1 9 . 1 1 92 92 GLN H H 92 8.341 8.341 7.949 0.392 19415 3979 1 9 . 1 1 93 93 SER N N 93 116.734 116.734 119.349 -2.615 19415 3980 1 9 . 1 1 93 93 SER C C 93 173.776 173.776 174.694 -0.918 19415 3981 1 9 . 1 1 93 93 SER CA C 93 59.491 59.491 59.801 -0.310 19415 3982 1 9 . 1 1 93 93 SER CB C 93 63.707 63.707 63.862 -0.155 19415 3983 1 9 . 1 1 93 93 SER H H 93 8.656 8.656 8.806 -0.150 19415 3984 1 9 . 1 1 94 94 ILE N N 94 126.045 126.045 123.015 3.030 19415 3985 1 9 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.650 -0.308 19415 3986 1 9 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.745 -0.220 19415 3987 1 9 . 1 1 94 94 ILE CB C 94 39.907 39.907 39.509 0.398 19415 3988 1 9 . 1 1 94 94 ILE H H 94 8.281 8.281 8.166 0.115 19415 3989 1 9 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.601 -0.128 19415 3990 1 9 . 1 1 95 95 PRO C C 95 176.605 176.605 177.670 -1.065 19415 3991 1 9 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.058 0.794 19415 3992 1 9 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.310 0.481 19415 3993 1 9 . 1 1 96 96 ALA N N 96 122.591 122.591 123.432 -0.841 19415 3994 1 9 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.150 -0.150 19415 3995 1 9 . 1 1 96 96 ALA C C 96 177.763 177.763 177.761 0.002 19415 3996 1 9 . 1 1 96 96 ALA CA C 96 54.605 54.605 54.055 0.550 19415 3997 1 9 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.388 0.718 19415 3998 1 9 . 1 1 96 96 ALA H H 96 8.400 8.400 8.557 -0.157 19415 3999 1 9 . 1 1 97 97 SER N N 97 107.288 107.288 112.464 -5.176 19415 4000 1 9 . 1 1 97 97 SER HA H 97 4.270 4.270 4.407 -0.137 19415 4001 1 9 . 1 1 97 97 SER C C 97 174.625 174.625 174.616 0.009 19415 4002 1 9 . 1 1 97 97 SER CA C 97 58.532 58.532 58.676 -0.144 19415 4003 1 9 . 1 1 97 97 SER CB C 97 63.538 63.538 63.454 0.084 19415 4004 1 9 . 1 1 97 97 SER H H 97 7.796 7.796 8.331 -0.535 19415 4005 1 9 . 1 1 98 98 GLU N N 98 124.231 124.231 121.640 2.591 19415 4006 1 9 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.579 -0.322 19415 4007 1 9 . 1 1 98 98 GLU C C 98 175.476 175.476 174.823 0.653 19415 4008 1 9 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.459 1.062 19415 4009 1 9 . 1 1 98 98 GLU CB C 98 31.081 31.081 32.620 -1.539 19415 4010 1 9 . 1 1 98 98 GLU H H 98 7.649 7.649 7.446 0.203 19415 4011 1 9 . 1 1 99 99 LEU N N 99 122.696 122.696 120.570 2.126 19415 4012 1 9 . 1 1 99 99 LEU HA H 99 4.505 4.505 5.117 -0.612 19415 4013 1 9 . 1 1 99 99 LEU C C 99 176.253 176.253 176.436 -0.183 19415 4014 1 9 . 1 1 99 99 LEU CA C 99 54.635 54.635 53.533 1.102 19415 4015 1 9 . 1 1 99 99 LEU CB C 99 42.967 42.967 44.428 -1.460 19415 4016 1 9 . 1 1 99 99 LEU H H 99 8.250 8.250 8.334 -0.084 19415 4017 1 9 . 1 1 100 100 VAL N N 100 112.933 112.933 115.875 -2.942 19415 4018 1 9 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.895 0.008 19415 4019 1 9 . 1 1 100 100 VAL C C 100 175.544 175.544 174.465 1.079 19415 4020 1 9 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.019 -0.272 19415 4021 1 9 . 1 1 100 100 VAL CB C 100 35.898 35.898 35.138 0.760 19415 4022 1 9 . 1 1 100 100 VAL H H 100 8.934 8.934 9.109 -0.175 19415 4023 1 9 . 1 1 101 101 MET N N 101 116.964 116.964 117.988 -1.024 19415 4024 1 9 . 1 1 101 101 MET HA H 101 4.676 4.676 4.555 0.121 19415 4025 1 9 . 1 1 101 101 MET C C 101 175.197 175.197 174.819 0.378 19415 4026 1 9 . 1 1 101 101 MET CA C 101 52.397 52.397 54.008 -1.611 19415 4027 1 9 . 1 1 101 101 MET CB C 101 34.490 34.490 34.815 -0.324 19415 4028 1 9 . 1 1 101 101 MET H H 101 8.299 8.299 8.680 -0.381 19415 4029 1 9 . 1 1 102 102 ARG N N 102 122.278 122.278 125.012 -2.734 19415 4030 1 9 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.612 0.542 19415 4031 1 9 . 1 1 102 102 ARG C C 102 175.008 175.008 176.335 -1.327 19415 4032 1 9 . 1 1 102 102 ARG CA C 102 54.850 54.850 55.953 -1.103 19415 4033 1 9 . 1 1 102 102 ARG CB C 102 32.335 32.335 30.680 1.655 19415 4034 1 9 . 1 1 102 102 ARG H H 102 8.112 8.112 8.908 -0.796 19415 4035 1 9 . 1 1 103 103 ALA N N 103 123.373 123.373 130.696 -7.323 19415 4036 1 9 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.452 0.147 19415 4037 1 9 . 1 1 103 103 ALA C C 103 176.137 176.137 176.061 0.076 19415 4038 1 9 . 1 1 103 103 ALA CA C 103 52.049 52.049 50.844 1.205 19415 4039 1 9 . 1 1 103 103 ALA CB C 103 21.835 21.835 18.162 3.673 19415 4040 1 9 . 1 1 103 103 ALA H H 103 8.129 8.129 8.992 -0.863 19415 4041 1 9 . 1 1 104 104 GLN N N 104 120.352 120.352 116.877 3.475 19415 4042 1 9 . 1 1 104 104 GLN HA H 104 3.802 3.802 3.943 -0.141 19415 4043 1 9 . 1 1 104 104 GLN C C 104 175.032 175.032 175.597 -0.565 19415 4044 1 9 . 1 1 104 104 GLN CA C 104 56.385 56.385 56.709 -0.324 19415 4045 1 9 . 1 1 104 104 GLN CB C 104 25.801 25.801 26.710 -0.909 19415 4046 1 9 . 1 1 104 104 GLN H H 104 9.312 9.312 8.234 1.078 19415 4047 1 9 . 1 1 105 105 GLY N N 105 105.580 105.580 104.461 1.119 19415 4048 1 9 . 1 1 105 105 GLY C C 105 173.414 173.414 173.888 -0.474 19415 4049 1 9 . 1 1 105 105 GLY CA C 105 45.475 45.475 44.928 0.546 19415 4050 1 9 . 1 1 105 105 GLY H H 105 8.493 8.493 8.300 0.193 19415 4051 1 9 . 1 1 106 106 ASN N N 106 120.347 120.347 120.669 -0.322 19415 4052 1 9 . 1 1 106 106 ASN HA H 106 4.820 4.820 5.207 -0.387 19415 4053 1 9 . 1 1 106 106 ASN C C 106 174.060 174.060 173.789 0.271 19415 4054 1 9 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.845 -1.068 19415 4055 1 9 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.744 0.860 19415 4056 1 9 . 1 1 106 106 ASN H H 106 8.085 8.085 7.931 0.154 19415 4057 1 9 . 1 1 107 107 VAL N N 107 118.992 118.992 115.418 3.574 19415 4058 1 9 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.956 -0.182 19415 4059 1 9 . 1 1 107 107 VAL C C 107 173.066 173.066 174.463 -1.397 19415 4060 1 9 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.320 0.256 19415 4061 1 9 . 1 1 107 107 VAL CB C 107 34.475 34.475 33.226 1.249 19415 4062 1 9 . 1 1 107 107 VAL H H 107 8.207 8.207 8.183 0.024 19415 4063 1 9 . 1 1 108 108 TYR N N 108 121.397 121.397 122.709 -1.312 19415 4064 1 9 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.863 1.067 19415 4065 1 9 . 1 1 108 108 TYR C C 108 177.709 177.709 175.991 1.718 19415 4066 1 9 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.160 -0.158 19415 4067 1 9 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.144 0.794 19415 4068 1 9 . 1 1 108 108 TYR H H 108 8.681 8.681 8.607 0.074 19415 4069 1 9 . 1 1 109 109 HIS N N 109 120.399 120.399 117.676 2.723 19415 4070 1 9 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.961 -0.204 19415 4071 1 9 . 1 1 109 109 HIS C C 109 178.297 178.297 176.436 1.861 19415 4072 1 9 . 1 1 109 109 HIS CA C 109 59.269 59.269 55.804 3.465 19415 4073 1 9 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.322 0.117 19415 4074 1 9 . 1 1 109 109 HIS H H 109 8.681 8.681 8.566 0.115 19415 4075 1 9 . 1 1 110 110 LEU N N 110 124.629 124.629 120.402 4.227 19415 4076 1 9 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.163 -0.281 19415 4077 1 9 . 1 1 110 110 LEU C C 110 180.956 180.956 177.013 3.943 19415 4078 1 9 . 1 1 110 110 LEU CA C 110 60.072 60.072 57.146 2.926 19415 4079 1 9 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.164 -1.682 19415 4080 1 9 . 1 1 110 110 LEU H H 110 8.924 8.924 8.863 0.061 19415 4081 1 9 . 1 1 111 111 LYS N N 111 112.542 112.542 116.931 -4.389 19415 4082 1 9 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.146 -0.150 19415 4083 1 9 . 1 1 111 111 LYS C C 111 176.711 176.711 178.316 -1.605 19415 4084 1 9 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.677 -0.740 19415 4085 1 9 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.486 0.223 19415 4086 1 9 . 1 1 111 111 LYS H H 111 8.586 8.586 8.227 0.359 19415 4087 1 9 . 1 1 112 112 CYS N N 112 117.897 117.897 116.074 1.823 19415 4088 1 9 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.655 -0.263 19415 4089 1 9 . 1 1 112 112 CYS C C 112 173.923 173.923 175.742 -1.819 19415 4090 1 9 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.977 1.278 19415 4091 1 9 . 1 1 112 112 CYS CB C 112 31.434 31.434 25.876 5.558 19415 4092 1 9 . 1 1 112 112 CYS H H 112 7.439 7.439 8.444 -1.005 19415 4093 1 9 . 1 1 113 113 PHE N N 113 126.150 126.150 124.903 1.247 19415 4094 1 9 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.243 -0.162 19415 4095 1 9 . 1 1 113 113 PHE C C 113 172.777 172.777 173.816 -1.039 19415 4096 1 9 . 1 1 113 113 PHE CA C 113 57.131 57.131 57.571 -0.439 19415 4097 1 9 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.029 -0.220 19415 4098 1 9 . 1 1 113 113 PHE H H 113 7.467 7.467 7.881 -0.414 19415 4099 1 9 . 1 1 114 114 THR N N 114 112.302 112.302 113.179 -0.877 19415 4100 1 9 . 1 1 114 114 THR HA H 114 4.577 4.577 4.988 -0.411 19415 4101 1 9 . 1 1 114 114 THR C C 114 172.592 172.592 173.656 -1.064 19415 4102 1 9 . 1 1 114 114 THR CA C 114 57.922 57.922 59.439 -1.517 19415 4103 1 9 . 1 1 114 114 THR CB C 114 72.187 72.187 71.887 0.300 19415 4104 1 9 . 1 1 114 114 THR H H 114 6.895 6.895 7.819 -0.924 19415 4105 1 9 . 1 1 115 115 CYS N N 115 121.388 121.388 117.586 3.802 19415 4106 1 9 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.817 -1.027 19415 4107 1 9 . 1 1 115 115 CYS C C 115 177.309 177.309 176.299 1.010 19415 4108 1 9 . 1 1 115 115 CYS CA C 115 59.284 59.284 57.108 2.176 19415 4109 1 9 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.800 2.821 19415 4110 1 9 . 1 1 115 115 CYS H H 115 7.981 7.981 8.273 -0.292 19415 4111 1 9 . 1 1 116 116 SER N N 116 127.333 127.333 117.690 9.643 19415 4112 1 9 . 1 1 116 116 SER HA H 116 4.066 4.066 4.669 -0.603 19415 4113 1 9 . 1 1 116 116 SER C C 116 174.522 174.522 174.837 -0.315 19415 4114 1 9 . 1 1 116 116 SER CA C 116 61.507 61.507 59.586 1.921 19415 4115 1 9 . 1 1 116 116 SER CB C 116 63.619 63.619 62.534 1.085 19415 4116 1 9 . 1 1 116 116 SER H H 116 9.064 9.064 8.509 0.555 19415 4117 1 9 . 1 1 117 117 THR N N 117 121.020 121.020 116.177 4.843 19415 4118 1 9 . 1 1 117 117 THR HA H 117 4.384 4.384 4.493 -0.109 19415 4119 1 9 . 1 1 117 117 THR C C 117 174.713 174.713 175.108 -0.395 19415 4120 1 9 . 1 1 117 117 THR CA C 117 65.378 65.378 63.708 1.670 19415 4121 1 9 . 1 1 117 117 THR CB C 117 69.656 69.656 69.188 0.468 19415 4122 1 9 . 1 1 117 117 THR H H 117 8.939 8.939 8.314 0.625 19415 4123 1 9 . 1 1 118 118 CYS N N 118 120.215 120.215 117.275 2.940 19415 4124 1 9 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.860 -0.512 19415 4125 1 9 . 1 1 118 118 CYS C C 118 176.041 176.041 174.185 1.856 19415 4126 1 9 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.775 1.712 19415 4127 1 9 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.581 0.242 19415 4128 1 9 . 1 1 118 118 CYS H H 118 8.180 8.180 7.708 0.472 19415 4129 1 9 . 1 1 119 119 ARG N N 119 114.664 114.664 118.973 -4.309 19415 4130 1 9 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.162 -0.051 19415 4131 1 9 . 1 1 119 119 ARG C C 119 174.910 174.910 174.712 0.198 19415 4132 1 9 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.479 1.094 19415 4133 1 9 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.205 -0.847 19415 4134 1 9 . 1 1 119 119 ARG H H 119 7.545 7.545 8.140 -0.595 19415 4135 1 9 . 1 1 120 120 ASN N N 120 118.962 118.962 118.558 0.404 19415 4136 1 9 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.698 0.054 19415 4137 1 9 . 1 1 120 120 ASN C C 120 175.950 175.950 174.906 1.044 19415 4138 1 9 . 1 1 120 120 ASN CA C 120 53.504 53.504 52.908 0.596 19415 4139 1 9 . 1 1 120 120 ASN CB C 120 39.298 39.298 40.314 -1.016 19415 4140 1 9 . 1 1 120 120 ASN H H 120 8.232 8.232 8.130 0.102 19415 4141 1 9 . 1 1 121 121 ARG N N 121 122.104 122.104 125.745 -3.641 19415 4142 1 9 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.216 -0.231 19415 4143 1 9 . 1 1 121 121 ARG C C 121 175.638 175.638 176.280 -0.642 19415 4144 1 9 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.553 0.631 19415 4145 1 9 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.031 0.536 19415 4146 1 9 . 1 1 121 121 ARG H H 121 8.603 8.603 8.634 -0.031 19415 4147 1 9 . 1 1 122 122 LEU N N 122 127.225 127.225 127.961 -0.736 19415 4148 1 9 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.192 0.337 19415 4149 1 9 . 1 1 122 122 LEU C C 122 175.345 175.345 176.480 -1.135 19415 4150 1 9 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.404 -1.577 19415 4151 1 9 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.515 -0.943 19415 4152 1 9 . 1 1 122 122 LEU H H 122 8.094 8.094 7.985 0.109 19415 4153 1 9 . 1 1 123 123 VAL N N 123 121.030 121.030 122.254 -1.224 19415 4154 1 9 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.492 -0.017 19415 4155 1 9 . 1 1 123 123 VAL C C 123 173.190 173.190 174.227 -1.037 19415 4156 1 9 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.496 0.535 19415 4157 1 9 . 1 1 123 123 VAL CB C 123 31.454 31.454 32.930 -1.476 19415 4158 1 9 . 1 1 123 123 VAL H H 123 8.416 8.416 8.415 0.001 19415 4159 1 9 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.253 -0.613 19415 4160 1 9 . 1 1 124 124 PRO C C 124 177.425 177.425 177.308 0.117 19415 4161 1 9 . 1 1 124 124 PRO CA C 124 64.032 64.032 62.921 1.111 19415 4162 1 9 . 1 1 124 124 PRO CB C 124 31.235 31.235 29.996 1.239 19415 4163 1 9 . 1 1 125 125 GLY N N 125 113.120 113.120 114.421 -1.301 19415 4164 1 9 . 1 1 125 125 GLY C C 125 174.384 174.384 173.597 0.787 19415 4165 1 9 . 1 1 125 125 GLY CA C 125 45.103 45.103 45.015 0.088 19415 4166 1 9 . 1 1 125 125 GLY H H 125 8.574 8.574 8.690 -0.116 19415 4167 1 9 . 1 1 126 126 ASP N N 126 122.488 122.488 119.850 2.638 19415 4168 1 9 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.921 -0.198 19415 4169 1 9 . 1 1 126 126 ASP C C 126 176.558 176.558 174.808 1.750 19415 4170 1 9 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.639 1.685 19415 4171 1 9 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.606 -2.004 19415 4172 1 9 . 1 1 126 126 ASP H H 126 8.476 8.476 8.231 0.245 19415 4173 1 9 . 1 1 127 127 ARG N N 127 122.074 122.074 118.499 3.575 19415 4174 1 9 . 1 1 127 127 ARG HA H 127 5.047 5.047 4.679 0.368 19415 4175 1 9 . 1 1 127 127 ARG C C 127 175.671 175.671 175.888 -0.217 19415 4176 1 9 . 1 1 127 127 ARG CA C 127 55.559 55.559 57.740 -2.181 19415 4177 1 9 . 1 1 127 127 ARG CB C 127 30.862 30.862 30.426 0.436 19415 4178 1 9 . 1 1 127 127 ARG H H 127 8.697 8.697 8.520 0.177 19415 4179 1 9 . 1 1 128 128 PHE N N 128 120.179 120.179 121.954 -1.775 19415 4180 1 9 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.991 0.203 19415 4181 1 9 . 1 1 128 128 PHE C C 128 171.304 171.304 172.735 -1.431 19415 4182 1 9 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.777 -1.350 19415 4183 1 9 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.547 0.966 19415 4184 1 9 . 1 1 128 128 PHE H H 128 8.869 8.869 8.873 -0.004 19415 4185 1 9 . 1 1 129 129 HIS N N 129 118.586 118.586 122.464 -3.878 19415 4186 1 9 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.573 0.108 19415 4187 1 9 . 1 1 129 129 HIS C C 129 173.764 173.764 173.019 0.745 19415 4188 1 9 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.654 0.156 19415 4189 1 9 . 1 1 129 129 HIS CB C 129 34.983 34.983 33.394 1.589 19415 4190 1 9 . 1 1 129 129 HIS H H 129 9.292 9.292 8.888 0.404 19415 4191 1 9 . 1 1 130 130 TYR N N 130 125.995 125.995 128.363 -2.368 19415 4192 1 9 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.210 0.509 19415 4193 1 9 . 1 1 130 130 TYR C C 130 174.625 174.625 173.942 0.683 19415 4194 1 9 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.733 -0.551 19415 4195 1 9 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.199 1.080 19415 4196 1 9 . 1 1 130 130 TYR H H 130 8.865 8.865 8.078 0.787 19415 4197 1 9 . 1 1 131 131 ILE N N 131 126.610 126.610 127.719 -1.109 19415 4198 1 9 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.258 0.065 19415 4199 1 9 . 1 1 131 131 ILE C C 131 175.516 175.516 175.176 0.340 19415 4200 1 9 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.250 -0.523 19415 4201 1 9 . 1 1 131 131 ILE CB C 131 41.170 41.170 39.898 1.272 19415 4202 1 9 . 1 1 131 131 ILE H H 131 8.889 8.889 8.895 -0.006 19415 4203 1 9 . 1 1 132 132 ASN N N 132 126.614 126.614 126.958 -0.344 19415 4204 1 9 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.353 0.008 19415 4205 1 9 . 1 1 132 132 ASN C C 132 175.421 175.421 175.103 0.318 19415 4206 1 9 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.432 0.500 19415 4207 1 9 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.891 -0.551 19415 4208 1 9 . 1 1 132 132 ASN H H 132 9.375 9.375 9.175 0.201 19415 4209 1 9 . 1 1 133 133 GLY N N 133 102.667 102.667 102.689 -0.022 19415 4210 1 9 . 1 1 133 133 GLY C C 133 173.969 173.969 173.237 0.732 19415 4211 1 9 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.116 0.279 19415 4212 1 9 . 1 1 133 133 GLY H H 133 7.417 7.417 7.880 -0.463 19415 4213 1 9 . 1 1 134 134 SER N N 134 117.123 117.123 114.186 2.937 19415 4214 1 9 . 1 1 134 134 SER HA H 134 4.743 4.743 4.448 0.295 19415 4215 1 9 . 1 1 134 134 SER C C 134 170.825 170.825 172.592 -1.767 19415 4216 1 9 . 1 1 134 134 SER CA C 134 57.754 57.754 57.363 0.391 19415 4217 1 9 . 1 1 134 134 SER CB C 134 66.060 66.060 66.190 -0.130 19415 4218 1 9 . 1 1 134 134 SER H H 134 7.639 7.639 6.781 0.858 19415 4219 1 9 . 1 1 135 135 LEU N N 135 122.242 122.242 125.245 -3.003 19415 4220 1 9 . 1 1 135 135 LEU HA H 135 5.214 5.214 5.409 -0.195 19415 4221 1 9 . 1 1 135 135 LEU C C 135 177.735 177.735 175.296 2.439 19415 4222 1 9 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.269 -0.840 19415 4223 1 9 . 1 1 135 135 LEU CB C 135 44.685 44.685 43.255 1.430 19415 4224 1 9 . 1 1 135 135 LEU H H 135 8.236 8.236 8.612 -0.376 19415 4225 1 9 . 1 1 136 136 PHE N N 136 118.689 118.689 119.675 -0.986 19415 4226 1 9 . 1 1 136 136 PHE HA H 136 5.990 5.990 4.948 1.042 19415 4227 1 9 . 1 1 136 136 PHE C C 136 175.971 175.971 174.841 1.130 19415 4228 1 9 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.459 0.445 19415 4229 1 9 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.004 1.325 19415 4230 1 9 . 1 1 136 136 PHE H H 136 9.221 9.221 8.740 0.481 19415 4231 1 9 . 1 1 137 137 CYS N N 137 121.328 121.328 117.838 3.490 19415 4232 1 9 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.098 -0.132 19415 4233 1 9 . 1 1 137 137 CYS C C 137 175.030 175.030 174.849 0.181 19415 4234 1 9 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.314 1.239 19415 4235 1 9 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.300 -1.075 19415 4236 1 9 . 1 1 137 137 CYS H H 137 9.716 9.716 9.302 0.414 19415 4237 1 9 . 1 1 138 138 GLU N N 138 118.055 118.055 120.870 -2.815 19415 4238 1 9 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.137 0.006 19415 4239 1 9 . 1 1 138 138 GLU C C 138 178.535 178.535 177.215 1.320 19415 4240 1 9 . 1 1 138 138 GLU CA C 138 59.569 59.569 58.792 0.777 19415 4241 1 9 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.745 0.150 19415 4242 1 9 . 1 1 138 138 GLU H H 138 8.476 8.476 8.790 -0.314 19415 4243 1 9 . 1 1 139 139 HIS N N 139 117.190 117.190 117.106 0.084 19415 4244 1 9 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.422 0.008 19415 4245 1 9 . 1 1 139 139 HIS C C 139 175.584 175.584 176.427 -0.843 19415 4246 1 9 . 1 1 139 139 HIS CA C 139 58.130 58.130 57.833 0.297 19415 4247 1 9 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.606 -1.660 19415 4248 1 9 . 1 1 139 139 HIS H H 139 8.365 8.365 7.725 0.640 19415 4249 1 9 . 1 1 140 140 ASP N N 140 118.373 118.373 116.396 1.977 19415 4250 1 9 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.522 0.434 19415 4251 1 9 . 1 1 140 140 ASP C C 140 174.258 174.258 175.628 -1.370 19415 4252 1 9 . 1 1 140 140 ASP CA C 140 54.319 54.319 53.440 0.879 19415 4253 1 9 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.016 1.301 19415 4254 1 9 . 1 1 140 140 ASP H H 140 8.082 8.082 7.744 0.338 19415 4255 1 9 . 1 1 141 141 ARG N N 141 121.880 121.880 121.810 0.070 19415 4256 1 9 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.777 -0.161 19415 4257 1 9 . 1 1 141 141 ARG C C 141 173.939 173.939 174.535 -0.596 19415 4258 1 9 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.859 -1.137 19415 4259 1 9 . 1 1 141 141 ARG CB C 141 29.423 29.423 30.121 -0.698 19415 4260 1 9 . 1 1 141 141 ARG H H 141 7.120 7.120 7.291 -0.171 19415 4261 1 9 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.489 -0.239 19415 4262 1 9 . 1 1 142 142 PRO C C 142 176.688 176.688 177.143 -0.455 19415 4263 1 9 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.013 0.686 19415 4264 1 9 . 1 1 142 142 PRO CB C 142 31.249 31.249 30.831 0.418 19415 4265 1 9 . 1 1 143 143 THR N N 143 115.472 115.472 120.139 -4.667 19415 4266 1 9 . 1 1 143 143 THR HA H 143 3.924 3.924 3.828 0.096 19415 4267 1 9 . 1 1 143 143 THR C C 143 174.890 174.890 175.469 -0.579 19415 4268 1 9 . 1 1 143 143 THR CA C 143 63.099 63.099 66.161 -3.062 19415 4269 1 9 . 1 1 143 143 THR CB C 143 69.197 69.197 68.343 0.854 19415 4270 1 9 . 1 1 143 143 THR H H 143 8.015 8.015 7.878 0.137 19415 4271 1 9 . 1 1 144 144 ALA N N 144 124.502 124.502 121.123 3.379 19415 4272 1 9 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.164 0.036 19415 4273 1 9 . 1 1 144 144 ALA C C 144 177.656 177.656 178.102 -0.446 19415 4274 1 9 . 1 1 144 144 ALA CA C 144 52.807 52.807 53.741 -0.934 19415 4275 1 9 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.428 0.577 19415 4276 1 9 . 1 1 144 144 ALA H H 144 8.130 8.130 7.903 0.227 19415 4277 1 9 . 1 1 145 145 LEU N N 145 119.506 119.506 117.569 1.937 19415 4278 1 9 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.318 -0.042 19415 4279 1 9 . 1 1 145 145 LEU C C 145 177.574 177.574 176.851 0.723 19415 4280 1 9 . 1 1 145 145 LEU CA C 145 55.067 55.067 55.337 -0.270 19415 4281 1 9 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.420 -0.189 19415 4282 1 9 . 1 1 145 145 LEU H H 145 7.897 7.897 7.728 0.169 19415 4283 1 9 . 1 1 146 146 ILE N N 146 120.683 120.683 113.949 6.734 19415 4284 1 9 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.284 -0.229 19415 4285 1 9 . 1 1 146 146 ILE C C 146 176.259 176.259 175.294 0.965 19415 4286 1 9 . 1 1 146 146 ILE CA C 146 61.486 61.486 59.308 2.178 19415 4287 1 9 . 1 1 146 146 ILE CB C 146 38.629 38.629 39.949 -1.320 19415 4288 1 9 . 1 1 146 146 ILE H H 146 7.842 7.842 7.212 0.630 19415 4289 1 9 . 1 1 405 405 ALA N N 405 133.214 133.214 129.817 3.397 19415 4290 1 9 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.032 0.439 19415 4291 1 9 . 1 1 405 405 ALA CA C 405 50.818 50.818 50.603 0.215 19415 4292 1 9 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.900 -1.853 19415 4293 1 9 . 1 1 405 405 ALA H H 405 9.651 9.651 8.844 0.807 19415 4294 1 9 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.502 0.085 19415 4295 1 9 . 1 1 406 406 PRO C C 406 174.175 174.175 176.091 -1.916 19415 4296 1 9 . 1 1 406 406 PRO CA C 406 61.942 61.942 62.692 -0.750 19415 4297 1 9 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.284 0.705 19415 4298 1 9 . 1 1 407 407 PHE N N 407 113.077 113.077 116.742 -3.665 19415 4299 1 9 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.657 -0.153 19415 4300 1 9 . 1 1 407 407 PHE C C 407 174.954 174.954 174.247 0.707 19415 4301 1 9 . 1 1 407 407 PHE CA C 407 57.263 57.263 55.246 2.017 19415 4302 1 9 . 1 1 407 407 PHE CB C 407 38.318 38.318 39.778 -1.460 19415 4303 1 9 . 1 1 407 407 PHE H H 407 7.899 7.899 8.290 -0.391 19415 4304 1 9 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.496 0.257 19415 4305 1 9 . 1 1 408 408 PRO C C 408 175.865 175.865 175.522 0.343 19415 4306 1 9 . 1 1 408 408 PRO CA C 408 62.926 62.926 63.202 -0.276 19415 4307 1 9 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.685 1.772 19415 4308 1 9 . 1 1 409 409 GLU N N 409 119.349 119.349 124.529 -5.180 19415 4309 1 9 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.620 0.103 19415 4310 1 9 . 1 1 409 409 GLU C C 409 174.291 174.291 175.053 -0.762 19415 4311 1 9 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.624 -0.444 19415 4312 1 9 . 1 1 409 409 GLU CB C 409 34.429 34.429 34.025 0.404 19415 4313 1 9 . 1 1 409 409 GLU H H 409 8.813 8.813 8.979 -0.166 19415 4314 1 9 . 1 1 410 410 ALA N N 410 124.017 124.017 121.841 2.176 19415 4315 1 9 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.890 -0.559 19415 4316 1 9 . 1 1 410 410 ALA C C 410 178.181 178.181 176.273 1.908 19415 4317 1 9 . 1 1 410 410 ALA CA C 410 52.241 52.241 51.092 1.149 19415 4318 1 9 . 1 1 410 410 ALA CB C 410 19.102 19.102 20.899 -1.797 19415 4319 1 9 . 1 1 410 410 ALA H H 410 8.562 8.562 8.459 0.103 19415 4320 1 9 . 1 1 411 411 ALA N N 411 124.837 124.837 127.336 -2.499 19415 4321 1 9 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.360 -0.431 19415 4322 1 9 . 1 1 411 411 ALA C C 411 178.042 178.042 176.564 1.478 19415 4323 1 9 . 1 1 411 411 ALA CA C 411 54.247 54.247 51.582 2.665 19415 4324 1 9 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.070 -0.340 19415 4325 1 9 . 1 1 411 411 ALA H H 411 8.475 8.475 8.236 0.239 19415 4326 1 9 . 1 1 412 412 LEU N N 412 119.893 119.893 121.756 -1.863 19415 4327 1 9 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.596 0.112 19415 4328 1 9 . 1 1 412 412 LEU C C 412 174.281 174.281 175.073 -0.792 19415 4329 1 9 . 1 1 412 412 LEU CA C 412 52.130 52.130 51.522 0.608 19415 4330 1 9 . 1 1 412 412 LEU CB C 412 42.645 42.645 40.953 1.692 19415 4331 1 9 . 1 1 412 412 LEU H H 412 8.075 8.075 8.164 -0.088 19415 4332 1 9 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.856 -0.403 19415 4333 1 9 . 1 1 413 413 PRO C C 413 177.094 177.094 177.151 -0.057 19415 4334 1 9 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.011 0.990 19415 4335 1 9 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.090 0.089 19415 4336 1 9 . 1 1 414 414 THR N N 414 114.256 114.256 116.830 -2.574 19415 4337 1 9 . 1 1 414 414 THR HA H 414 4.294 4.294 4.254 0.040 19415 4338 1 9 . 1 1 414 414 THR C C 414 174.480 174.480 174.900 -0.420 19415 4339 1 9 . 1 1 414 414 THR CA C 414 61.757 61.757 63.203 -1.446 19415 4340 1 9 . 1 1 414 414 THR CB C 414 69.712 69.712 68.769 0.943 19415 4341 1 9 . 1 1 414 414 THR H H 414 8.177 8.177 7.883 0.294 19415 4342 1 9 . 1 1 415 415 SER N N 415 117.918 117.918 121.765 -3.847 19415 4343 1 9 . 1 1 415 415 SER HA H 415 4.424 4.424 4.216 0.208 19415 4344 1 9 . 1 1 415 415 SER C C 415 173.689 173.689 174.414 -0.725 19415 4345 1 9 . 1 1 415 415 SER CA C 415 58.072 58.072 58.771 -0.699 19415 4346 1 9 . 1 1 415 415 SER CB C 415 63.852 63.852 63.301 0.551 19415 4347 1 9 . 1 1 415 415 SER H H 415 8.193 8.193 8.524 -0.331 19415 4348 1 9 . 1 1 416 416 HIS N N 416 121.537 121.537 127.354 -5.817 19415 4349 1 9 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.710 0.232 19415 4350 1 9 . 1 1 416 416 HIS C C 416 172.547 172.547 173.512 -0.965 19415 4351 1 9 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.343 -0.641 19415 4352 1 9 . 1 1 416 416 HIS CB C 416 29.462 29.462 29.938 -0.476 19415 4353 1 9 . 1 1 416 416 HIS H H 416 8.373 8.373 8.232 0.141 19415 4354 1 9 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.544 -0.123 19415 4355 1 9 . 1 1 417 417 PRO C C 417 176.060 176.060 176.722 -0.662 19415 4356 1 9 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.872 0.576 19415 4357 1 9 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.388 -0.229 19415 4358 1 9 . 1 1 902 902 GLY N N 902 108.524 108.524 111.020 -2.496 19415 4359 1 9 . 1 1 902 902 GLY CA C 902 45.359 45.359 46.344 -0.985 19415 4360 1 9 . 1 1 902 902 GLY H H 902 8.196 8.196 8.373 -0.177 19415 4361 1 9 . 1 1 903 903 SER N N 903 115.821 115.821 119.933 -4.112 19415 4362 1 9 . 1 1 903 903 SER HA H 903 4.403 4.403 4.546 -0.143 19415 4363 1 9 . 1 1 903 903 SER CA C 903 58.602 58.602 57.647 0.956 19415 4364 1 9 . 1 1 903 903 SER CB C 903 63.762 63.762 65.184 -1.422 19415 4365 1 9 . 1 1 903 903 SER H H 903 8.354 8.354 8.237 0.117 19415 4366 1 9 . 1 1 904 904 GLY N N 904 110.847 110.847 110.519 0.328 19415 4367 1 9 . 1 1 904 904 GLY C C 904 174.889 174.889 174.763 0.126 19415 4368 1 9 . 1 1 904 904 GLY CA C 904 45.594 45.594 45.084 0.510 19415 4369 1 9 . 1 1 904 904 GLY H H 904 8.558 8.558 8.051 0.507 19415 4370 1 9 . 1 1 905 905 GLY N N 905 108.922 108.922 108.160 0.762 19415 4371 1 9 . 1 1 905 905 GLY C C 905 174.452 174.452 173.621 0.831 19415 4372 1 9 . 1 1 905 905 GLY CA C 905 45.549 45.549 45.377 0.172 19415 4373 1 9 . 1 1 905 905 GLY H H 905 8.307 8.307 8.091 0.216 19415 4374 1 9 . 1 1 906 906 SER N N 906 115.224 115.224 115.816 -0.592 19415 4375 1 9 . 1 1 906 906 SER HA H 906 4.552 4.552 4.838 -0.286 19415 4376 1 9 . 1 1 906 906 SER C C 906 175.108 175.108 173.395 1.713 19415 4377 1 9 . 1 1 906 906 SER CA C 906 58.647 58.647 56.751 1.896 19415 4378 1 9 . 1 1 906 906 SER CB C 906 64.091 64.091 64.883 -0.792 19415 4379 1 9 . 1 1 906 906 SER H H 906 8.362 8.362 7.795 0.567 19415 4380 1 9 . 1 1 907 907 GLY N N 907 110.875 110.875 108.260 2.615 19415 4381 1 9 . 1 1 907 907 GLY C C 907 173.335 173.335 173.501 -0.166 19415 4382 1 9 . 1 1 907 907 GLY CA C 907 45.010 45.010 45.077 -0.067 19415 4383 1 9 . 1 1 907 907 GLY H H 907 8.437 8.437 8.322 0.115 19415 4384 1 10 . 1 1 78 78 ILE N N 78 124.415 124.415 124.171 0.244 19415 4385 1 10 . 1 1 78 78 ILE HA H 78 4.042 4.042 3.964 0.078 19415 4386 1 10 . 1 1 78 78 ILE C C 78 175.260 175.260 174.396 0.864 19415 4387 1 10 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.182 -0.455 19415 4388 1 10 . 1 1 78 78 ILE CB C 78 38.922 38.922 38.421 0.501 19415 4389 1 10 . 1 1 78 78 ILE H H 78 8.025 8.025 8.011 0.014 19415 4390 1 10 . 1 1 79 79 ARG N N 79 125.999 125.999 124.345 1.654 19415 4391 1 10 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.342 -0.127 19415 4392 1 10 . 1 1 79 79 ARG C C 79 175.494 175.494 175.931 -0.437 19415 4393 1 10 . 1 1 79 79 ARG CA C 79 55.856 55.856 56.772 -0.916 19415 4394 1 10 . 1 1 79 79 ARG CB C 79 30.774 30.774 32.733 -1.960 19415 4395 1 10 . 1 1 79 79 ARG H H 79 8.249 8.249 8.475 -0.226 19415 4396 1 10 . 1 1 80 80 LEU N N 80 124.427 124.427 118.650 5.777 19415 4397 1 10 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.625 -0.333 19415 4398 1 10 . 1 1 80 80 LEU C C 80 176.785 176.785 175.911 0.874 19415 4399 1 10 . 1 1 80 80 LEU CA C 80 54.820 54.820 54.379 0.441 19415 4400 1 10 . 1 1 80 80 LEU CB C 80 42.520 42.520 41.764 0.756 19415 4401 1 10 . 1 1 80 80 LEU H H 80 8.190 8.190 8.042 0.148 19415 4402 1 10 . 1 1 81 81 PHE N N 81 120.462 120.462 118.718 1.744 19415 4403 1 10 . 1 1 81 81 PHE HA H 81 4.624 4.624 3.987 0.637 19415 4404 1 10 . 1 1 81 81 PHE C C 81 176.212 176.212 175.024 1.188 19415 4405 1 10 . 1 1 81 81 PHE CA C 81 57.570 57.570 58.264 -0.694 19415 4406 1 10 . 1 1 81 81 PHE CB C 81 39.802 39.802 38.092 1.710 19415 4407 1 10 . 1 1 81 81 PHE H H 81 8.244 8.244 8.131 0.113 19415 4408 1 10 . 1 1 82 82 GLY N N 82 110.003 110.003 112.036 -2.033 19415 4409 1 10 . 1 1 82 82 GLY C C 82 173.730 173.730 172.535 1.195 19415 4410 1 10 . 1 1 82 82 GLY CA C 82 45.415 45.415 45.000 0.415 19415 4411 1 10 . 1 1 82 82 GLY H H 82 8.351 8.351 7.912 0.439 19415 4412 1 10 . 1 1 83 83 ASN N N 83 118.840 118.840 120.289 -1.449 19415 4413 1 10 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.825 -0.031 19415 4414 1 10 . 1 1 83 83 ASN C C 83 175.312 175.312 174.339 0.973 19415 4415 1 10 . 1 1 83 83 ASN CA C 83 52.996 52.996 53.396 -0.400 19415 4416 1 10 . 1 1 83 83 ASN CB C 83 39.137 39.137 39.157 -0.020 19415 4417 1 10 . 1 1 83 83 ASN H H 83 8.325 8.325 8.317 0.008 19415 4418 1 10 . 1 1 84 84 SER N N 84 116.555 116.555 116.899 -0.344 19415 4419 1 10 . 1 1 84 84 SER CA C 84 58.823 58.823 59.042 -0.219 19415 4420 1 10 . 1 1 84 84 SER CB C 84 63.887 63.887 64.725 -0.838 19415 4421 1 10 . 1 1 84 84 SER H H 84 8.463 8.463 8.627 -0.164 19415 4422 1 10 . 1 1 85 85 GLY N N 85 109.826 109.826 109.392 0.434 19415 4423 1 10 . 1 1 85 85 GLY C C 85 172.709 172.709 172.051 0.658 19415 4424 1 10 . 1 1 85 85 GLY CA C 85 45.153 45.153 44.963 0.190 19415 4425 1 10 . 1 1 85 85 GLY H H 85 8.341 8.341 8.238 0.103 19415 4426 1 10 . 1 1 86 86 ALA N N 86 122.100 122.100 123.436 -1.336 19415 4427 1 10 . 1 1 86 86 ALA HA H 86 4.447 4.447 5.231 -0.784 19415 4428 1 10 . 1 1 86 86 ALA C C 86 175.383 175.383 175.969 -0.586 19415 4429 1 10 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.214 0.309 19415 4430 1 10 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.858 -1.146 19415 4431 1 10 . 1 1 86 86 ALA H H 86 7.703 7.703 8.049 -0.346 19415 4432 1 10 . 1 1 87 87 CYS N N 87 121.922 121.922 119.409 2.513 19415 4433 1 10 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.929 -0.732 19415 4434 1 10 . 1 1 87 87 CYS C C 87 178.454 178.454 176.223 2.231 19415 4435 1 10 . 1 1 87 87 CYS CA C 87 58.515 58.515 57.166 1.349 19415 4436 1 10 . 1 1 87 87 CYS CB C 87 31.600 31.600 29.282 2.318 19415 4437 1 10 . 1 1 87 87 CYS H H 87 7.968 7.968 8.524 -0.556 19415 4438 1 10 . 1 1 88 88 SER N N 88 126.804 126.804 121.731 5.073 19415 4439 1 10 . 1 1 88 88 SER HA H 88 4.174 4.174 4.436 -0.262 19415 4440 1 10 . 1 1 88 88 SER C C 88 173.647 173.647 174.707 -1.060 19415 4441 1 10 . 1 1 88 88 SER CA C 88 62.158 62.158 59.967 2.191 19415 4442 1 10 . 1 1 88 88 SER CB C 88 63.401 63.401 62.558 0.843 19415 4443 1 10 . 1 1 88 88 SER H H 88 9.202 9.202 8.325 0.877 19415 4444 1 10 . 1 1 89 89 ALA N N 89 123.763 123.763 122.625 1.138 19415 4445 1 10 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.642 0.194 19415 4446 1 10 . 1 1 89 89 ALA C C 89 178.007 178.007 178.378 -0.371 19415 4447 1 10 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.377 0.556 19415 4448 1 10 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.831 1.414 19415 4449 1 10 . 1 1 89 89 ALA H H 89 8.964 8.964 7.943 1.021 19415 4450 1 10 . 1 1 90 90 CYS N N 90 115.099 115.099 116.850 -1.751 19415 4451 1 10 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.613 0.419 19415 4452 1 10 . 1 1 90 90 CYS C C 90 177.164 177.164 176.318 0.846 19415 4453 1 10 . 1 1 90 90 CYS CA C 90 58.754 58.754 60.505 -1.751 19415 4454 1 10 . 1 1 90 90 CYS CB C 90 31.688 31.688 27.804 3.884 19415 4455 1 10 . 1 1 90 90 CYS H H 90 8.078 8.078 8.387 -0.309 19415 4456 1 10 . 1 1 91 91 GLY N N 91 112.869 112.869 107.033 5.836 19415 4457 1 10 . 1 1 91 91 GLY C C 91 173.725 173.725 174.000 -0.275 19415 4458 1 10 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.454 0.849 19415 4459 1 10 . 1 1 91 91 GLY H H 91 7.996 7.996 8.198 -0.202 19415 4460 1 10 . 1 1 92 92 GLN N N 92 119.848 119.848 119.206 0.642 19415 4461 1 10 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.754 -0.179 19415 4462 1 10 . 1 1 92 92 GLN C C 92 176.015 176.015 176.008 0.007 19415 4463 1 10 . 1 1 92 92 GLN CA C 92 54.954 54.954 54.021 0.933 19415 4464 1 10 . 1 1 92 92 GLN CB C 92 30.026 30.026 30.685 -0.659 19415 4465 1 10 . 1 1 92 92 GLN H H 92 8.341 8.341 8.043 0.298 19415 4466 1 10 . 1 1 93 93 SER N N 93 116.734 116.734 115.145 1.589 19415 4467 1 10 . 1 1 93 93 SER C C 93 173.776 173.776 174.687 -0.911 19415 4468 1 10 . 1 1 93 93 SER CA C 93 59.491 59.491 57.888 1.603 19415 4469 1 10 . 1 1 93 93 SER CB C 93 63.707 63.707 64.322 -0.615 19415 4470 1 10 . 1 1 93 93 SER H H 93 8.656 8.656 8.754 -0.098 19415 4471 1 10 . 1 1 94 94 ILE N N 94 126.045 126.045 121.719 4.326 19415 4472 1 10 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.670 -0.328 19415 4473 1 10 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.657 -0.132 19415 4474 1 10 . 1 1 94 94 ILE CB C 94 39.907 39.907 39.392 0.515 19415 4475 1 10 . 1 1 94 94 ILE H H 94 8.281 8.281 7.932 0.349 19415 4476 1 10 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.635 -0.162 19415 4477 1 10 . 1 1 95 95 PRO C C 95 176.605 176.605 177.693 -1.088 19415 4478 1 10 . 1 1 95 95 PRO CA C 95 62.852 62.852 61.888 0.964 19415 4479 1 10 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.193 0.598 19415 4480 1 10 . 1 1 96 96 ALA N N 96 122.591 122.591 123.806 -1.215 19415 4481 1 10 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.099 -0.099 19415 4482 1 10 . 1 1 96 96 ALA C C 96 177.763 177.763 177.634 0.129 19415 4483 1 10 . 1 1 96 96 ALA CA C 96 54.605 54.605 54.094 0.511 19415 4484 1 10 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.637 0.469 19415 4485 1 10 . 1 1 96 96 ALA H H 96 8.400 8.400 8.719 -0.319 19415 4486 1 10 . 1 1 97 97 SER N N 97 107.288 107.288 111.008 -3.720 19415 4487 1 10 . 1 1 97 97 SER HA H 97 4.270 4.270 4.507 -0.237 19415 4488 1 10 . 1 1 97 97 SER C C 97 174.625 174.625 174.139 0.486 19415 4489 1 10 . 1 1 97 97 SER CA C 97 58.532 58.532 57.911 0.621 19415 4490 1 10 . 1 1 97 97 SER CB C 97 63.538 63.538 63.326 0.212 19415 4491 1 10 . 1 1 97 97 SER H H 97 7.796 7.796 8.019 -0.223 19415 4492 1 10 . 1 1 98 98 GLU N N 98 124.231 124.231 121.771 2.460 19415 4493 1 10 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.581 -0.324 19415 4494 1 10 . 1 1 98 98 GLU C C 98 175.476 175.476 174.342 1.134 19415 4495 1 10 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.494 1.027 19415 4496 1 10 . 1 1 98 98 GLU CB C 98 31.081 31.081 32.996 -1.915 19415 4497 1 10 . 1 1 98 98 GLU H H 98 7.649 7.649 7.574 0.075 19415 4498 1 10 . 1 1 99 99 LEU N N 99 122.696 122.696 121.878 0.818 19415 4499 1 10 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.730 -0.225 19415 4500 1 10 . 1 1 99 99 LEU C C 99 176.253 176.253 175.866 0.387 19415 4501 1 10 . 1 1 99 99 LEU CA C 99 54.635 54.635 54.120 0.515 19415 4502 1 10 . 1 1 99 99 LEU CB C 99 42.967 42.967 43.207 -0.240 19415 4503 1 10 . 1 1 99 99 LEU H H 99 8.250 8.250 8.433 -0.183 19415 4504 1 10 . 1 1 100 100 VAL N N 100 112.933 112.933 115.879 -2.946 19415 4505 1 10 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.506 0.397 19415 4506 1 10 . 1 1 100 100 VAL C C 100 175.544 175.544 173.960 1.584 19415 4507 1 10 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.121 -0.374 19415 4508 1 10 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.660 1.238 19415 4509 1 10 . 1 1 100 100 VAL H H 100 8.934 8.934 8.906 0.028 19415 4510 1 10 . 1 1 101 101 MET N N 101 116.964 116.964 119.109 -2.145 19415 4511 1 10 . 1 1 101 101 MET HA H 101 4.676 4.676 4.691 -0.015 19415 4512 1 10 . 1 1 101 101 MET C C 101 175.197 175.197 175.122 0.075 19415 4513 1 10 . 1 1 101 101 MET CA C 101 52.397 52.397 54.152 -1.755 19415 4514 1 10 . 1 1 101 101 MET CB C 101 34.490 34.490 34.555 -0.065 19415 4515 1 10 . 1 1 101 101 MET H H 101 8.299 8.299 8.564 -0.265 19415 4516 1 10 . 1 1 102 102 ARG N N 102 122.278 122.278 122.430 -0.152 19415 4517 1 10 . 1 1 102 102 ARG HA H 102 5.154 5.154 5.187 -0.033 19415 4518 1 10 . 1 1 102 102 ARG C C 102 175.008 175.008 175.141 -0.133 19415 4519 1 10 . 1 1 102 102 ARG CA C 102 54.850 54.850 54.437 0.413 19415 4520 1 10 . 1 1 102 102 ARG CB C 102 32.335 32.335 32.303 0.032 19415 4521 1 10 . 1 1 102 102 ARG H H 102 8.112 8.112 8.636 -0.523 19415 4522 1 10 . 1 1 103 103 ALA N N 103 123.373 123.373 126.984 -3.611 19415 4523 1 10 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.604 -0.005 19415 4524 1 10 . 1 1 103 103 ALA C C 103 176.137 176.137 176.664 -0.527 19415 4525 1 10 . 1 1 103 103 ALA CA C 103 52.049 52.049 51.986 0.063 19415 4526 1 10 . 1 1 103 103 ALA CB C 103 21.835 21.835 21.113 0.722 19415 4527 1 10 . 1 1 103 103 ALA H H 103 8.129 8.129 8.932 -0.803 19415 4528 1 10 . 1 1 104 104 GLN N N 104 120.352 120.352 121.308 -0.956 19415 4529 1 10 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.017 -0.215 19415 4530 1 10 . 1 1 104 104 GLN C C 104 175.032 175.032 176.217 -1.185 19415 4531 1 10 . 1 1 104 104 GLN CA C 104 56.385 56.385 56.837 -0.452 19415 4532 1 10 . 1 1 104 104 GLN CB C 104 25.801 25.801 27.769 -1.968 19415 4533 1 10 . 1 1 104 104 GLN H H 104 9.312 9.312 9.041 0.271 19415 4534 1 10 . 1 1 105 105 GLY N N 105 105.580 105.580 101.477 4.103 19415 4535 1 10 . 1 1 105 105 GLY C C 105 173.414 173.414 174.293 -0.879 19415 4536 1 10 . 1 1 105 105 GLY CA C 105 45.475 45.475 44.697 0.778 19415 4537 1 10 . 1 1 105 105 GLY H H 105 8.493 8.493 8.050 0.443 19415 4538 1 10 . 1 1 106 106 ASN N N 106 120.347 120.347 121.106 -0.759 19415 4539 1 10 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.736 0.084 19415 4540 1 10 . 1 1 106 106 ASN C C 106 174.060 174.060 173.652 0.408 19415 4541 1 10 . 1 1 106 106 ASN CA C 106 51.777 51.777 53.224 -1.447 19415 4542 1 10 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.154 1.450 19415 4543 1 10 . 1 1 106 106 ASN H H 106 8.085 8.085 7.744 0.341 19415 4544 1 10 . 1 1 107 107 VAL N N 107 118.992 118.992 116.374 2.618 19415 4545 1 10 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.891 -0.117 19415 4546 1 10 . 1 1 107 107 VAL C C 107 173.066 173.066 174.217 -1.151 19415 4547 1 10 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.971 -0.395 19415 4548 1 10 . 1 1 107 107 VAL CB C 107 34.475 34.475 33.459 1.016 19415 4549 1 10 . 1 1 107 107 VAL H H 107 8.207 8.207 7.909 0.298 19415 4550 1 10 . 1 1 108 108 TYR N N 108 121.397 121.397 121.162 0.235 19415 4551 1 10 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.860 1.070 19415 4552 1 10 . 1 1 108 108 TYR C C 108 177.709 177.709 175.646 2.063 19415 4553 1 10 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.257 -0.255 19415 4554 1 10 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.737 0.201 19415 4555 1 10 . 1 1 108 108 TYR H H 108 8.681 8.681 8.928 -0.247 19415 4556 1 10 . 1 1 109 109 HIS N N 109 120.399 120.399 118.603 1.796 19415 4557 1 10 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.745 0.012 19415 4558 1 10 . 1 1 109 109 HIS C C 109 178.297 178.297 176.474 1.823 19415 4559 1 10 . 1 1 109 109 HIS CA C 109 59.269 59.269 55.455 3.814 19415 4560 1 10 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.190 0.249 19415 4561 1 10 . 1 1 109 109 HIS H H 109 8.681 8.681 8.708 -0.027 19415 4562 1 10 . 1 1 110 110 LEU N N 110 124.629 124.629 119.660 4.969 19415 4563 1 10 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.168 -0.286 19415 4564 1 10 . 1 1 110 110 LEU C C 110 180.956 180.956 177.910 3.046 19415 4565 1 10 . 1 1 110 110 LEU CA C 110 60.072 60.072 56.953 3.119 19415 4566 1 10 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.093 -1.611 19415 4567 1 10 . 1 1 110 110 LEU H H 110 8.924 8.924 8.793 0.131 19415 4568 1 10 . 1 1 111 111 LYS N N 111 112.542 112.542 116.951 -4.409 19415 4569 1 10 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.151 -0.155 19415 4570 1 10 . 1 1 111 111 LYS C C 111 176.711 176.711 178.061 -1.350 19415 4571 1 10 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.863 -0.926 19415 4572 1 10 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.918 -0.209 19415 4573 1 10 . 1 1 111 111 LYS H H 111 8.586 8.586 8.111 0.475 19415 4574 1 10 . 1 1 112 112 CYS N N 112 117.897 117.897 115.579 2.318 19415 4575 1 10 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.587 -0.195 19415 4576 1 10 . 1 1 112 112 CYS C C 112 173.923 173.923 175.963 -2.040 19415 4577 1 10 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.834 1.421 19415 4578 1 10 . 1 1 112 112 CYS CB C 112 31.434 31.434 25.889 5.545 19415 4579 1 10 . 1 1 112 112 CYS H H 112 7.439 7.439 8.456 -1.017 19415 4580 1 10 . 1 1 113 113 PHE N N 113 126.150 126.150 124.553 1.597 19415 4581 1 10 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.361 -0.280 19415 4582 1 10 . 1 1 113 113 PHE C C 113 172.777 172.777 173.875 -1.098 19415 4583 1 10 . 1 1 113 113 PHE CA C 113 57.131 57.131 55.969 1.162 19415 4584 1 10 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.216 -0.407 19415 4585 1 10 . 1 1 113 113 PHE H H 113 7.467 7.467 8.112 -0.645 19415 4586 1 10 . 1 1 114 114 THR N N 114 112.302 112.302 114.140 -1.838 19415 4587 1 10 . 1 1 114 114 THR HA H 114 4.577 4.577 4.724 -0.147 19415 4588 1 10 . 1 1 114 114 THR C C 114 172.592 172.592 173.292 -0.700 19415 4589 1 10 . 1 1 114 114 THR CA C 114 57.922 57.922 59.615 -1.693 19415 4590 1 10 . 1 1 114 114 THR CB C 114 72.187 72.187 71.413 0.774 19415 4591 1 10 . 1 1 114 114 THR H H 114 6.895 6.895 7.767 -0.872 19415 4592 1 10 . 1 1 115 115 CYS N N 115 121.388 121.388 123.302 -1.914 19415 4593 1 10 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.637 -0.847 19415 4594 1 10 . 1 1 115 115 CYS C C 115 177.309 177.309 176.232 1.077 19415 4595 1 10 . 1 1 115 115 CYS CA C 115 59.284 59.284 58.606 0.678 19415 4596 1 10 . 1 1 115 115 CYS CB C 115 31.621 31.621 27.884 3.737 19415 4597 1 10 . 1 1 115 115 CYS H H 115 7.981 7.981 8.616 -0.635 19415 4598 1 10 . 1 1 116 116 SER N N 116 127.333 127.333 125.507 1.826 19415 4599 1 10 . 1 1 116 116 SER HA H 116 4.066 4.066 4.515 -0.449 19415 4600 1 10 . 1 1 116 116 SER C C 116 174.522 174.522 174.828 -0.306 19415 4601 1 10 . 1 1 116 116 SER CA C 116 61.507 61.507 60.198 1.309 19415 4602 1 10 . 1 1 116 116 SER CB C 116 63.619 63.619 62.499 1.120 19415 4603 1 10 . 1 1 116 116 SER H H 116 9.064 9.064 8.769 0.295 19415 4604 1 10 . 1 1 117 117 THR N N 117 121.020 121.020 115.183 5.837 19415 4605 1 10 . 1 1 117 117 THR HA H 117 4.384 4.384 4.533 -0.149 19415 4606 1 10 . 1 1 117 117 THR C C 117 174.713 174.713 175.431 -0.718 19415 4607 1 10 . 1 1 117 117 THR CA C 117 65.378 65.378 63.934 1.444 19415 4608 1 10 . 1 1 117 117 THR CB C 117 69.656 69.656 70.032 -0.377 19415 4609 1 10 . 1 1 117 117 THR H H 117 8.939 8.939 8.032 0.907 19415 4610 1 10 . 1 1 118 118 CYS N N 118 120.215 120.215 117.145 3.070 19415 4611 1 10 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.943 -0.595 19415 4612 1 10 . 1 1 118 118 CYS C C 118 176.041 176.041 175.245 0.796 19415 4613 1 10 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.627 1.860 19415 4614 1 10 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.530 0.294 19415 4615 1 10 . 1 1 118 118 CYS H H 118 8.180 8.180 7.835 0.345 19415 4616 1 10 . 1 1 119 119 ARG N N 119 114.664 114.664 120.539 -5.875 19415 4617 1 10 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.213 -0.102 19415 4618 1 10 . 1 1 119 119 ARG C C 119 174.910 174.910 174.930 -0.020 19415 4619 1 10 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.575 0.999 19415 4620 1 10 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.744 -1.386 19415 4621 1 10 . 1 1 119 119 ARG H H 119 7.545 7.545 8.171 -0.626 19415 4622 1 10 . 1 1 120 120 ASN N N 120 118.962 118.962 118.716 0.246 19415 4623 1 10 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.587 0.165 19415 4624 1 10 . 1 1 120 120 ASN C C 120 175.950 175.950 174.794 1.156 19415 4625 1 10 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.951 -0.447 19415 4626 1 10 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.319 -0.021 19415 4627 1 10 . 1 1 120 120 ASN H H 120 8.232 8.232 7.728 0.504 19415 4628 1 10 . 1 1 121 121 ARG N N 121 122.104 122.104 125.206 -3.102 19415 4629 1 10 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.259 -0.274 19415 4630 1 10 . 1 1 121 121 ARG C C 121 175.638 175.638 176.183 -0.545 19415 4631 1 10 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.075 1.109 19415 4632 1 10 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.299 0.268 19415 4633 1 10 . 1 1 121 121 ARG H H 121 8.603 8.603 8.526 0.077 19415 4634 1 10 . 1 1 122 122 LEU N N 122 127.225 127.225 128.736 -1.511 19415 4635 1 10 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.155 0.374 19415 4636 1 10 . 1 1 122 122 LEU C C 122 175.345 175.345 176.020 -0.675 19415 4637 1 10 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.596 -1.769 19415 4638 1 10 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.115 -0.543 19415 4639 1 10 . 1 1 122 122 LEU H H 122 8.094 8.094 7.707 0.387 19415 4640 1 10 . 1 1 123 123 VAL N N 123 121.030 121.030 118.291 2.739 19415 4641 1 10 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.566 -0.091 19415 4642 1 10 . 1 1 123 123 VAL C C 123 173.190 173.190 174.208 -1.018 19415 4643 1 10 . 1 1 123 123 VAL CA C 123 59.031 59.031 57.744 1.287 19415 4644 1 10 . 1 1 123 123 VAL CB C 123 31.454 31.454 33.029 -1.575 19415 4645 1 10 . 1 1 123 123 VAL H H 123 8.416 8.416 8.250 0.166 19415 4646 1 10 . 1 1 124 124 PRO HA H 124 3.640 3.640 3.629 0.011 19415 4647 1 10 . 1 1 124 124 PRO C C 124 177.425 177.425 177.120 0.305 19415 4648 1 10 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.114 0.917 19415 4649 1 10 . 1 1 124 124 PRO CB C 124 31.235 31.235 29.602 1.633 19415 4650 1 10 . 1 1 125 125 GLY N N 125 113.120 113.120 114.093 -0.973 19415 4651 1 10 . 1 1 125 125 GLY C C 125 174.384 174.384 173.773 0.611 19415 4652 1 10 . 1 1 125 125 GLY CA C 125 45.103 45.103 45.019 0.084 19415 4653 1 10 . 1 1 125 125 GLY H H 125 8.574 8.574 8.287 0.287 19415 4654 1 10 . 1 1 126 126 ASP N N 126 122.488 122.488 120.874 1.614 19415 4655 1 10 . 1 1 126 126 ASP HA H 126 4.723 4.723 5.047 -0.324 19415 4656 1 10 . 1 1 126 126 ASP C C 126 176.558 176.558 174.594 1.964 19415 4657 1 10 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.633 1.691 19415 4658 1 10 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.867 -2.265 19415 4659 1 10 . 1 1 126 126 ASP H H 126 8.476 8.476 8.243 0.233 19415 4660 1 10 . 1 1 127 127 ARG N N 127 122.074 122.074 117.878 4.196 19415 4661 1 10 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.021 0.026 19415 4662 1 10 . 1 1 127 127 ARG C C 127 175.671 175.671 175.939 -0.268 19415 4663 1 10 . 1 1 127 127 ARG CA C 127 55.559 55.559 55.939 -0.380 19415 4664 1 10 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.369 -0.506 19415 4665 1 10 . 1 1 127 127 ARG H H 127 8.697 8.697 8.431 0.266 19415 4666 1 10 . 1 1 128 128 PHE N N 128 120.179 120.179 118.499 1.680 19415 4667 1 10 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.882 0.312 19415 4668 1 10 . 1 1 128 128 PHE C C 128 171.304 171.304 173.422 -2.118 19415 4669 1 10 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.197 -0.770 19415 4670 1 10 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.198 1.315 19415 4671 1 10 . 1 1 128 128 PHE H H 128 8.869 8.869 8.801 0.068 19415 4672 1 10 . 1 1 129 129 HIS N N 129 118.586 118.586 121.515 -2.929 19415 4673 1 10 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.667 0.014 19415 4674 1 10 . 1 1 129 129 HIS C C 129 173.764 173.764 173.674 0.090 19415 4675 1 10 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.922 -0.112 19415 4676 1 10 . 1 1 129 129 HIS CB C 129 34.983 34.983 32.122 2.861 19415 4677 1 10 . 1 1 129 129 HIS H H 129 9.292 9.292 9.129 0.163 19415 4678 1 10 . 1 1 130 130 TYR N N 130 125.995 125.995 128.517 -2.522 19415 4679 1 10 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.334 0.385 19415 4680 1 10 . 1 1 130 130 TYR C C 130 174.625 174.625 174.464 0.161 19415 4681 1 10 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.965 -0.783 19415 4682 1 10 . 1 1 130 130 TYR CB C 130 40.279 40.279 38.411 1.868 19415 4683 1 10 . 1 1 130 130 TYR H H 130 8.865 8.865 8.732 0.133 19415 4684 1 10 . 1 1 131 131 ILE N N 131 126.610 126.610 127.759 -1.149 19415 4685 1 10 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.388 -0.065 19415 4686 1 10 . 1 1 131 131 ILE C C 131 175.516 175.516 175.827 -0.311 19415 4687 1 10 . 1 1 131 131 ILE CA C 131 59.727 59.727 58.635 1.092 19415 4688 1 10 . 1 1 131 131 ILE CB C 131 41.170 41.170 37.693 3.477 19415 4689 1 10 . 1 1 131 131 ILE H H 131 8.889 8.889 8.781 0.108 19415 4690 1 10 . 1 1 132 132 ASN N N 132 126.614 126.614 128.110 -1.496 19415 4691 1 10 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.350 0.011 19415 4692 1 10 . 1 1 132 132 ASN C C 132 175.421 175.421 174.800 0.621 19415 4693 1 10 . 1 1 132 132 ASN CA C 132 53.933 53.933 54.146 -0.213 19415 4694 1 10 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.939 -0.599 19415 4695 1 10 . 1 1 132 132 ASN H H 132 9.375 9.375 9.249 0.126 19415 4696 1 10 . 1 1 133 133 GLY N N 133 102.667 102.667 101.788 0.879 19415 4697 1 10 . 1 1 133 133 GLY C C 133 173.969 173.969 172.939 1.030 19415 4698 1 10 . 1 1 133 133 GLY CA C 133 45.395 45.395 44.930 0.465 19415 4699 1 10 . 1 1 133 133 GLY H H 133 7.417 7.417 8.234 -0.817 19415 4700 1 10 . 1 1 134 134 SER N N 134 117.123 117.123 113.823 3.300 19415 4701 1 10 . 1 1 134 134 SER HA H 134 4.743 4.743 4.418 0.325 19415 4702 1 10 . 1 1 134 134 SER C C 134 170.825 170.825 172.726 -1.901 19415 4703 1 10 . 1 1 134 134 SER CA C 134 57.754 57.754 56.831 0.923 19415 4704 1 10 . 1 1 134 134 SER CB C 134 66.060 66.060 66.129 -0.069 19415 4705 1 10 . 1 1 134 134 SER H H 134 7.639 7.639 6.649 0.990 19415 4706 1 10 . 1 1 135 135 LEU N N 135 122.242 122.242 123.480 -1.238 19415 4707 1 10 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.695 0.519 19415 4708 1 10 . 1 1 135 135 LEU C C 135 177.735 177.735 175.161 2.574 19415 4709 1 10 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.566 -1.137 19415 4710 1 10 . 1 1 135 135 LEU CB C 135 44.685 44.685 41.914 2.771 19415 4711 1 10 . 1 1 135 135 LEU H H 135 8.236 8.236 8.644 -0.408 19415 4712 1 10 . 1 1 136 136 PHE N N 136 118.689 118.689 120.725 -2.036 19415 4713 1 10 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.043 0.947 19415 4714 1 10 . 1 1 136 136 PHE C C 136 175.971 175.971 175.501 0.470 19415 4715 1 10 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.446 0.458 19415 4716 1 10 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.439 0.890 19415 4717 1 10 . 1 1 136 136 PHE H H 136 9.221 9.221 8.940 0.281 19415 4718 1 10 . 1 1 137 137 CYS N N 137 121.328 121.328 117.666 3.662 19415 4719 1 10 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.028 -0.062 19415 4720 1 10 . 1 1 137 137 CYS C C 137 175.030 175.030 175.673 -0.643 19415 4721 1 10 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.416 1.137 19415 4722 1 10 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.469 -1.244 19415 4723 1 10 . 1 1 137 137 CYS H H 137 9.716 9.716 8.913 0.803 19415 4724 1 10 . 1 1 138 138 GLU N N 138 118.055 118.055 121.138 -3.083 19415 4725 1 10 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.310 -0.167 19415 4726 1 10 . 1 1 138 138 GLU C C 138 178.535 178.535 177.433 1.102 19415 4727 1 10 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.181 0.388 19415 4728 1 10 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.715 0.180 19415 4729 1 10 . 1 1 138 138 GLU H H 138 8.476 8.476 9.038 -0.562 19415 4730 1 10 . 1 1 139 139 HIS N N 139 117.190 117.190 115.524 1.666 19415 4731 1 10 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.526 -0.096 19415 4732 1 10 . 1 1 139 139 HIS C C 139 175.584 175.584 175.368 0.216 19415 4733 1 10 . 1 1 139 139 HIS CA C 139 58.130 58.130 57.502 0.628 19415 4734 1 10 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.055 -1.109 19415 4735 1 10 . 1 1 139 139 HIS H H 139 8.365 8.365 8.274 0.091 19415 4736 1 10 . 1 1 140 140 ASP N N 140 118.373 118.373 118.188 0.185 19415 4737 1 10 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.779 0.177 19415 4738 1 10 . 1 1 140 140 ASP C C 140 174.258 174.258 175.460 -1.202 19415 4739 1 10 . 1 1 140 140 ASP CA C 140 54.319 54.319 55.140 -0.821 19415 4740 1 10 . 1 1 140 140 ASP CB C 140 42.317 42.317 43.055 -0.738 19415 4741 1 10 . 1 1 140 140 ASP H H 140 8.082 8.082 7.655 0.427 19415 4742 1 10 . 1 1 141 141 ARG N N 141 121.880 121.880 119.005 2.875 19415 4743 1 10 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.866 -0.250 19415 4744 1 10 . 1 1 141 141 ARG C C 141 173.939 173.939 173.027 0.912 19415 4745 1 10 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.499 -0.777 19415 4746 1 10 . 1 1 141 141 ARG CB C 141 29.423 29.423 29.364 0.059 19415 4747 1 10 . 1 1 141 141 ARG H H 141 7.120 7.120 8.024 -0.904 19415 4748 1 10 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.185 0.065 19415 4749 1 10 . 1 1 142 142 PRO C C 142 176.688 176.688 177.147 -0.459 19415 4750 1 10 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.912 -0.213 19415 4751 1 10 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.313 -0.064 19415 4752 1 10 . 1 1 143 143 THR N N 143 115.472 115.472 119.494 -4.022 19415 4753 1 10 . 1 1 143 143 THR HA H 143 3.924 3.924 4.018 -0.093 19415 4754 1 10 . 1 1 143 143 THR C C 143 174.890 174.890 175.861 -0.971 19415 4755 1 10 . 1 1 143 143 THR CA C 143 63.099 63.099 64.790 -1.692 19415 4756 1 10 . 1 1 143 143 THR CB C 143 69.197 69.197 68.574 0.623 19415 4757 1 10 . 1 1 143 143 THR H H 143 8.015 8.015 8.153 -0.138 19415 4758 1 10 . 1 1 144 144 ALA N N 144 124.502 124.502 124.454 0.048 19415 4759 1 10 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.200 0.000 19415 4760 1 10 . 1 1 144 144 ALA C C 144 177.656 177.656 177.683 -0.027 19415 4761 1 10 . 1 1 144 144 ALA CA C 144 52.807 52.807 53.686 -0.879 19415 4762 1 10 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.941 0.064 19415 4763 1 10 . 1 1 144 144 ALA H H 144 8.130 8.130 7.825 0.305 19415 4764 1 10 . 1 1 145 145 LEU N N 145 119.506 119.506 119.350 0.156 19415 4765 1 10 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.483 -0.207 19415 4766 1 10 . 1 1 145 145 LEU C C 145 177.574 177.574 175.964 1.610 19415 4767 1 10 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.446 0.621 19415 4768 1 10 . 1 1 145 145 LEU CB C 145 42.231 42.231 43.265 -1.034 19415 4769 1 10 . 1 1 145 145 LEU H H 145 7.897 7.897 7.435 0.462 19415 4770 1 10 . 1 1 146 146 ILE N N 146 120.683 120.683 120.553 0.130 19415 4771 1 10 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.294 -0.239 19415 4772 1 10 . 1 1 146 146 ILE C C 146 176.259 176.259 175.209 1.050 19415 4773 1 10 . 1 1 146 146 ILE CA C 146 61.486 61.486 59.767 1.720 19415 4774 1 10 . 1 1 146 146 ILE CB C 146 38.629 38.629 36.417 2.212 19415 4775 1 10 . 1 1 146 146 ILE H H 146 7.842 7.842 8.307 -0.465 19415 4776 1 10 . 1 1 405 405 ALA N N 405 133.214 133.214 127.810 5.404 19415 4777 1 10 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.544 -0.073 19415 4778 1 10 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.387 -0.569 19415 4779 1 10 . 1 1 405 405 ALA CB C 405 17.047 17.047 19.045 -1.998 19415 4780 1 10 . 1 1 405 405 ALA H H 405 9.651 9.651 8.614 1.037 19415 4781 1 10 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.431 0.156 19415 4782 1 10 . 1 1 406 406 PRO C C 406 174.175 174.175 176.609 -2.434 19415 4783 1 10 . 1 1 406 406 PRO CA C 406 61.942 61.942 63.393 -1.451 19415 4784 1 10 . 1 1 406 406 PRO CB C 406 32.989 32.989 31.980 1.009 19415 4785 1 10 . 1 1 407 407 PHE N N 407 113.077 113.077 114.946 -1.869 19415 4786 1 10 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.166 0.338 19415 4787 1 10 . 1 1 407 407 PHE C C 407 174.954 174.954 172.868 2.086 19415 4788 1 10 . 1 1 407 407 PHE CA C 407 57.263 57.263 58.276 -1.013 19415 4789 1 10 . 1 1 407 407 PHE CB C 407 38.318 38.318 37.442 0.876 19415 4790 1 10 . 1 1 407 407 PHE H H 407 7.899 7.899 7.412 0.487 19415 4791 1 10 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.730 0.023 19415 4792 1 10 . 1 1 408 408 PRO C C 408 175.865 175.865 175.645 0.220 19415 4793 1 10 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.485 0.441 19415 4794 1 10 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.974 1.483 19415 4795 1 10 . 1 1 409 409 GLU N N 409 119.349 119.349 123.593 -4.244 19415 4796 1 10 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.642 0.081 19415 4797 1 10 . 1 1 409 409 GLU C C 409 174.291 174.291 174.944 -0.653 19415 4798 1 10 . 1 1 409 409 GLU CA C 409 54.180 54.180 53.908 0.272 19415 4799 1 10 . 1 1 409 409 GLU CB C 409 34.429 34.429 32.626 1.803 19415 4800 1 10 . 1 1 409 409 GLU H H 409 8.813 8.813 9.086 -0.273 19415 4801 1 10 . 1 1 410 410 ALA N N 410 124.017 124.017 122.236 1.781 19415 4802 1 10 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.605 -0.274 19415 4803 1 10 . 1 1 410 410 ALA C C 410 178.181 178.181 177.188 0.993 19415 4804 1 10 . 1 1 410 410 ALA CA C 410 52.241 52.241 51.926 0.315 19415 4805 1 10 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.470 -0.368 19415 4806 1 10 . 1 1 410 410 ALA H H 410 8.562 8.562 8.341 0.221 19415 4807 1 10 . 1 1 411 411 ALA N N 411 124.837 124.837 128.444 -3.607 19415 4808 1 10 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.433 -0.504 19415 4809 1 10 . 1 1 411 411 ALA C C 411 178.042 178.042 177.074 0.968 19415 4810 1 10 . 1 1 411 411 ALA CA C 411 54.247 54.247 51.410 2.837 19415 4811 1 10 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.764 -1.034 19415 4812 1 10 . 1 1 411 411 ALA H H 411 8.475 8.475 8.222 0.253 19415 4813 1 10 . 1 1 412 412 LEU N N 412 119.893 119.893 121.530 -1.637 19415 4814 1 10 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.515 0.193 19415 4815 1 10 . 1 1 412 412 LEU C C 412 174.281 174.281 174.728 -0.447 19415 4816 1 10 . 1 1 412 412 LEU CA C 412 52.130 52.130 53.238 -1.108 19415 4817 1 10 . 1 1 412 412 LEU CB C 412 42.645 42.645 41.511 1.134 19415 4818 1 10 . 1 1 412 412 LEU H H 412 8.075 8.075 8.098 -0.023 19415 4819 1 10 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.710 -0.257 19415 4820 1 10 . 1 1 413 413 PRO C C 413 177.094 177.094 177.062 0.032 19415 4821 1 10 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.482 0.519 19415 4822 1 10 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.363 -0.184 19415 4823 1 10 . 1 1 414 414 THR N N 414 114.256 114.256 116.053 -1.797 19415 4824 1 10 . 1 1 414 414 THR HA H 414 4.294 4.294 4.199 0.095 19415 4825 1 10 . 1 1 414 414 THR C C 414 174.480 174.480 175.144 -0.664 19415 4826 1 10 . 1 1 414 414 THR CA C 414 61.757 61.757 62.925 -1.168 19415 4827 1 10 . 1 1 414 414 THR CB C 414 69.712 69.712 69.519 0.193 19415 4828 1 10 . 1 1 414 414 THR H H 414 8.177 8.177 7.984 0.193 19415 4829 1 10 . 1 1 415 415 SER N N 415 117.918 117.918 118.553 -0.635 19415 4830 1 10 . 1 1 415 415 SER HA H 415 4.424 4.424 4.480 -0.056 19415 4831 1 10 . 1 1 415 415 SER C C 415 173.689 173.689 174.839 -1.150 19415 4832 1 10 . 1 1 415 415 SER CA C 415 58.072 58.072 59.130 -1.058 19415 4833 1 10 . 1 1 415 415 SER CB C 415 63.852 63.852 63.793 0.059 19415 4834 1 10 . 1 1 415 415 SER H H 415 8.193 8.193 8.358 -0.165 19415 4835 1 10 . 1 1 416 416 HIS N N 416 121.537 121.537 125.259 -3.722 19415 4836 1 10 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.760 0.182 19415 4837 1 10 . 1 1 416 416 HIS C C 416 172.547 172.547 174.114 -1.567 19415 4838 1 10 . 1 1 416 416 HIS CA C 416 53.702 53.702 53.830 -0.128 19415 4839 1 10 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.049 -0.587 19415 4840 1 10 . 1 1 416 416 HIS H H 416 8.373 8.373 8.584 -0.211 19415 4841 1 10 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.506 -0.085 19415 4842 1 10 . 1 1 417 417 PRO C C 417 176.060 176.060 176.072 -0.012 19415 4843 1 10 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.482 0.966 19415 4844 1 10 . 1 1 417 417 PRO CB C 417 32.159 32.159 31.079 1.079 19415 4845 1 10 . 1 1 902 902 GLY N N 902 108.524 108.524 109.285 -0.761 19415 4846 1 10 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.355 1.004 19415 4847 1 10 . 1 1 902 902 GLY H H 902 8.196 8.196 7.661 0.535 19415 4848 1 10 . 1 1 903 903 SER N N 903 115.821 115.821 116.524 -0.703 19415 4849 1 10 . 1 1 903 903 SER HA H 903 4.403 4.403 4.406 -0.003 19415 4850 1 10 . 1 1 903 903 SER CA C 903 58.602 58.602 58.898 -0.296 19415 4851 1 10 . 1 1 903 903 SER CB C 903 63.762 63.762 63.191 0.571 19415 4852 1 10 . 1 1 903 903 SER H H 903 8.354 8.354 8.228 0.126 19415 4853 1 10 . 1 1 904 904 GLY N N 904 110.847 110.847 110.178 0.669 19415 4854 1 10 . 1 1 904 904 GLY C C 904 174.889 174.889 173.310 1.579 19415 4855 1 10 . 1 1 904 904 GLY CA C 904 45.594 45.594 44.771 0.823 19415 4856 1 10 . 1 1 904 904 GLY H H 904 8.558 8.558 8.049 0.509 19415 4857 1 10 . 1 1 905 905 GLY N N 905 108.922 108.922 110.367 -1.445 19415 4858 1 10 . 1 1 905 905 GLY C C 905 174.452 174.452 175.054 -0.602 19415 4859 1 10 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.778 0.771 19415 4860 1 10 . 1 1 905 905 GLY H H 905 8.307 8.307 8.308 -0.001 19415 4861 1 10 . 1 1 906 906 SER N N 906 115.224 115.224 117.143 -1.919 19415 4862 1 10 . 1 1 906 906 SER HA H 906 4.552 4.552 4.332 0.220 19415 4863 1 10 . 1 1 906 906 SER C C 906 175.108 175.108 175.319 -0.211 19415 4864 1 10 . 1 1 906 906 SER CA C 906 58.647 58.647 59.071 -0.424 19415 4865 1 10 . 1 1 906 906 SER CB C 906 64.091 64.091 63.283 0.808 19415 4866 1 10 . 1 1 906 906 SER H H 906 8.362 8.362 8.236 0.126 19415 4867 1 10 . 1 1 907 907 GLY N N 907 110.875 110.875 111.196 -0.321 19415 4868 1 10 . 1 1 907 907 GLY C C 907 173.335 173.335 174.163 -0.828 19415 4869 1 10 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.699 0.311 19415 4870 1 10 . 1 1 907 907 GLY H H 907 8.437 8.437 8.326 0.111 19415 4871 1 11 . 1 1 78 78 ILE N N 78 124.415 124.415 120.795 3.620 19415 4872 1 11 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.294 -0.252 19415 4873 1 11 . 1 1 78 78 ILE C C 78 175.260 175.260 175.261 -0.001 19415 4874 1 11 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.378 -0.651 19415 4875 1 11 . 1 1 78 78 ILE CB C 78 38.922 38.922 37.319 1.603 19415 4876 1 11 . 1 1 78 78 ILE H H 78 8.025 8.025 7.402 0.623 19415 4877 1 11 . 1 1 79 79 ARG N N 79 125.999 125.999 124.743 1.256 19415 4878 1 11 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.449 -0.234 19415 4879 1 11 . 1 1 79 79 ARG C C 79 175.494 175.494 175.164 0.330 19415 4880 1 11 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.895 -0.039 19415 4881 1 11 . 1 1 79 79 ARG CB C 79 30.774 30.774 31.234 -0.460 19415 4882 1 11 . 1 1 79 79 ARG H H 79 8.249 8.249 8.511 -0.262 19415 4883 1 11 . 1 1 80 80 LEU N N 80 124.427 124.427 117.794 6.633 19415 4884 1 11 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.899 -0.607 19415 4885 1 11 . 1 1 80 80 LEU C C 80 176.785 176.785 177.605 -0.820 19415 4886 1 11 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.737 1.083 19415 4887 1 11 . 1 1 80 80 LEU CB C 80 42.520 42.520 42.131 0.389 19415 4888 1 11 . 1 1 80 80 LEU H H 80 8.190 8.190 7.617 0.573 19415 4889 1 11 . 1 1 81 81 PHE N N 81 120.462 120.462 125.379 -4.917 19415 4890 1 11 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.329 0.295 19415 4891 1 11 . 1 1 81 81 PHE C C 81 176.212 176.212 176.777 -0.565 19415 4892 1 11 . 1 1 81 81 PHE CA C 81 57.570 57.570 60.114 -2.544 19415 4893 1 11 . 1 1 81 81 PHE CB C 81 39.802 39.802 39.035 0.767 19415 4894 1 11 . 1 1 81 81 PHE H H 81 8.244 8.244 9.265 -1.021 19415 4895 1 11 . 1 1 82 82 GLY N N 82 110.003 110.003 102.890 7.113 19415 4896 1 11 . 1 1 82 82 GLY C C 82 173.730 173.730 173.236 0.494 19415 4897 1 11 . 1 1 82 82 GLY CA C 82 45.415 45.415 44.005 1.410 19415 4898 1 11 . 1 1 82 82 GLY H H 82 8.351 8.351 8.450 -0.099 19415 4899 1 11 . 1 1 83 83 ASN N N 83 118.840 118.840 118.280 0.560 19415 4900 1 11 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.391 0.403 19415 4901 1 11 . 1 1 83 83 ASN C C 83 175.312 175.312 175.504 -0.192 19415 4902 1 11 . 1 1 83 83 ASN CA C 83 52.996 52.996 54.227 -1.231 19415 4903 1 11 . 1 1 83 83 ASN CB C 83 39.137 39.137 38.530 0.607 19415 4904 1 11 . 1 1 83 83 ASN H H 83 8.325 8.325 7.599 0.726 19415 4905 1 11 . 1 1 84 84 SER N N 84 116.555 116.555 114.489 2.066 19415 4906 1 11 . 1 1 84 84 SER CA C 84 58.823 58.823 61.004 -2.181 19415 4907 1 11 . 1 1 84 84 SER CB C 84 63.887 63.887 62.877 1.010 19415 4908 1 11 . 1 1 84 84 SER H H 84 8.463 8.463 8.628 -0.165 19415 4909 1 11 . 1 1 85 85 GLY N N 85 109.826 109.826 110.830 -1.004 19415 4910 1 11 . 1 1 85 85 GLY C C 85 172.709 172.709 172.411 0.298 19415 4911 1 11 . 1 1 85 85 GLY CA C 85 45.153 45.153 44.653 0.500 19415 4912 1 11 . 1 1 85 85 GLY H H 85 8.341 8.341 8.123 0.218 19415 4913 1 11 . 1 1 86 86 ALA N N 86 122.100 122.100 126.626 -4.526 19415 4914 1 11 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.372 0.075 19415 4915 1 11 . 1 1 86 86 ALA C C 86 175.383 175.383 175.333 0.050 19415 4916 1 11 . 1 1 86 86 ALA CA C 86 50.523 50.523 51.528 -1.005 19415 4917 1 11 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.047 -0.335 19415 4918 1 11 . 1 1 86 86 ALA H H 86 7.703 7.703 7.897 -0.194 19415 4919 1 11 . 1 1 87 87 CYS N N 87 121.922 121.922 122.722 -0.800 19415 4920 1 11 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.949 -0.752 19415 4921 1 11 . 1 1 87 87 CYS C C 87 178.454 178.454 175.598 2.856 19415 4922 1 11 . 1 1 87 87 CYS CA C 87 58.515 58.515 56.674 1.841 19415 4923 1 11 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.570 3.030 19415 4924 1 11 . 1 1 87 87 CYS H H 87 7.968 7.968 8.196 -0.228 19415 4925 1 11 . 1 1 88 88 SER N N 88 126.804 126.804 122.183 4.621 19415 4926 1 11 . 1 1 88 88 SER HA H 88 4.174 4.174 4.483 -0.309 19415 4927 1 11 . 1 1 88 88 SER C C 88 173.647 173.647 174.324 -0.677 19415 4928 1 11 . 1 1 88 88 SER CA C 88 62.158 62.158 59.685 2.473 19415 4929 1 11 . 1 1 88 88 SER CB C 88 63.401 63.401 62.261 1.140 19415 4930 1 11 . 1 1 88 88 SER H H 88 9.202 9.202 8.423 0.779 19415 4931 1 11 . 1 1 89 89 ALA N N 89 123.763 123.763 123.742 0.021 19415 4932 1 11 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.383 0.453 19415 4933 1 11 . 1 1 89 89 ALA C C 89 178.007 178.007 178.436 -0.429 19415 4934 1 11 . 1 1 89 89 ALA CA C 89 53.933 53.933 54.352 -0.419 19415 4935 1 11 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.629 1.616 19415 4936 1 11 . 1 1 89 89 ALA H H 89 8.964 8.964 7.680 1.284 19415 4937 1 11 . 1 1 90 90 CYS N N 90 115.099 115.099 113.902 1.197 19415 4938 1 11 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.522 0.510 19415 4939 1 11 . 1 1 90 90 CYS C C 90 177.164 177.164 176.450 0.714 19415 4940 1 11 . 1 1 90 90 CYS CA C 90 58.754 58.754 59.958 -1.204 19415 4941 1 11 . 1 1 90 90 CYS CB C 90 31.688 31.688 27.942 3.747 19415 4942 1 11 . 1 1 90 90 CYS H H 90 8.078 8.078 7.868 0.210 19415 4943 1 11 . 1 1 91 91 GLY N N 91 112.869 112.869 108.780 4.089 19415 4944 1 11 . 1 1 91 91 GLY C C 91 173.725 173.725 173.186 0.539 19415 4945 1 11 . 1 1 91 91 GLY CA C 91 46.303 46.303 44.739 1.564 19415 4946 1 11 . 1 1 91 91 GLY H H 91 7.996 7.996 8.351 -0.355 19415 4947 1 11 . 1 1 92 92 GLN N N 92 119.848 119.848 122.138 -2.290 19415 4948 1 11 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.249 0.326 19415 4949 1 11 . 1 1 92 92 GLN C C 92 176.015 176.015 175.680 0.335 19415 4950 1 11 . 1 1 92 92 GLN CA C 92 54.954 54.954 53.797 1.157 19415 4951 1 11 . 1 1 92 92 GLN CB C 92 30.026 30.026 29.068 0.958 19415 4952 1 11 . 1 1 92 92 GLN H H 92 8.341 8.341 7.690 0.651 19415 4953 1 11 . 1 1 93 93 SER N N 93 116.734 116.734 122.838 -6.104 19415 4954 1 11 . 1 1 93 93 SER C C 93 173.776 173.776 174.767 -0.991 19415 4955 1 11 . 1 1 93 93 SER CA C 93 59.491 59.491 59.084 0.408 19415 4956 1 11 . 1 1 93 93 SER CB C 93 63.707 63.707 63.273 0.434 19415 4957 1 11 . 1 1 93 93 SER H H 93 8.656 8.656 8.334 0.322 19415 4958 1 11 . 1 1 94 94 ILE N N 94 126.045 126.045 124.245 1.800 19415 4959 1 11 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.131 0.211 19415 4960 1 11 . 1 1 94 94 ILE CA C 94 58.525 58.525 60.251 -1.726 19415 4961 1 11 . 1 1 94 94 ILE CB C 94 39.907 39.907 37.473 2.434 19415 4962 1 11 . 1 1 94 94 ILE H H 94 8.281 8.281 8.218 0.063 19415 4963 1 11 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.618 -0.145 19415 4964 1 11 . 1 1 95 95 PRO C C 95 176.605 176.605 177.523 -0.918 19415 4965 1 11 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.002 0.850 19415 4966 1 11 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.132 0.659 19415 4967 1 11 . 1 1 96 96 ALA N N 96 122.591 122.591 122.518 0.073 19415 4968 1 11 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.256 -0.256 19415 4969 1 11 . 1 1 96 96 ALA C C 96 177.763 177.763 177.045 0.718 19415 4970 1 11 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.816 0.788 19415 4971 1 11 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.401 0.705 19415 4972 1 11 . 1 1 96 96 ALA H H 96 8.400 8.400 8.605 -0.205 19415 4973 1 11 . 1 1 97 97 SER N N 97 107.288 107.288 112.111 -4.823 19415 4974 1 11 . 1 1 97 97 SER HA H 97 4.270 4.270 4.669 -0.399 19415 4975 1 11 . 1 1 97 97 SER C C 97 174.625 174.625 173.792 0.833 19415 4976 1 11 . 1 1 97 97 SER CA C 97 58.532 58.532 58.256 0.276 19415 4977 1 11 . 1 1 97 97 SER CB C 97 63.538 63.538 63.515 0.023 19415 4978 1 11 . 1 1 97 97 SER H H 97 7.796 7.796 8.136 -0.340 19415 4979 1 11 . 1 1 98 98 GLU N N 98 124.231 124.231 121.798 2.433 19415 4980 1 11 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.582 -0.325 19415 4981 1 11 . 1 1 98 98 GLU C C 98 175.476 175.476 174.427 1.049 19415 4982 1 11 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.894 0.627 19415 4983 1 11 . 1 1 98 98 GLU CB C 98 31.081 31.081 33.012 -1.931 19415 4984 1 11 . 1 1 98 98 GLU H H 98 7.649 7.649 7.529 0.120 19415 4985 1 11 . 1 1 99 99 LEU N N 99 122.696 122.696 120.850 1.846 19415 4986 1 11 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.455 0.050 19415 4987 1 11 . 1 1 99 99 LEU C C 99 176.253 176.253 175.455 0.798 19415 4988 1 11 . 1 1 99 99 LEU CA C 99 54.635 54.635 54.120 0.514 19415 4989 1 11 . 1 1 99 99 LEU CB C 99 42.967 42.967 44.577 -1.610 19415 4990 1 11 . 1 1 99 99 LEU H H 99 8.250 8.250 8.303 -0.053 19415 4991 1 11 . 1 1 100 100 VAL N N 100 112.933 112.933 116.210 -3.277 19415 4992 1 11 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.597 0.306 19415 4993 1 11 . 1 1 100 100 VAL C C 100 175.544 175.544 174.316 1.228 19415 4994 1 11 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.934 -1.187 19415 4995 1 11 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.718 1.180 19415 4996 1 11 . 1 1 100 100 VAL H H 100 8.934 8.934 8.888 0.046 19415 4997 1 11 . 1 1 101 101 MET N N 101 116.964 116.964 121.206 -4.242 19415 4998 1 11 . 1 1 101 101 MET HA H 101 4.676 4.676 4.900 -0.224 19415 4999 1 11 . 1 1 101 101 MET C C 101 175.197 175.197 175.318 -0.121 19415 5000 1 11 . 1 1 101 101 MET CA C 101 52.397 52.397 54.437 -2.040 19415 5001 1 11 . 1 1 101 101 MET CB C 101 34.490 34.490 34.840 -0.350 19415 5002 1 11 . 1 1 101 101 MET H H 101 8.299 8.299 8.918 -0.619 19415 5003 1 11 . 1 1 102 102 ARG N N 102 122.278 122.278 125.725 -3.447 19415 5004 1 11 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.667 0.487 19415 5005 1 11 . 1 1 102 102 ARG C C 102 175.008 175.008 175.902 -0.894 19415 5006 1 11 . 1 1 102 102 ARG CA C 102 54.850 54.850 55.503 -0.653 19415 5007 1 11 . 1 1 102 102 ARG CB C 102 32.335 32.335 29.106 3.229 19415 5008 1 11 . 1 1 102 102 ARG H H 102 8.112 8.112 8.844 -0.732 19415 5009 1 11 . 1 1 103 103 ALA N N 103 123.373 123.373 129.537 -6.164 19415 5010 1 11 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.263 0.336 19415 5011 1 11 . 1 1 103 103 ALA C C 103 176.137 176.137 177.449 -1.312 19415 5012 1 11 . 1 1 103 103 ALA CA C 103 52.049 52.049 54.177 -2.128 19415 5013 1 11 . 1 1 103 103 ALA CB C 103 21.835 21.835 19.612 2.223 19415 5014 1 11 . 1 1 103 103 ALA H H 103 8.129 8.129 8.333 -0.204 19415 5015 1 11 . 1 1 104 104 GLN N N 104 120.352 120.352 116.486 3.866 19415 5016 1 11 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.379 -0.577 19415 5017 1 11 . 1 1 104 104 GLN C C 104 175.032 175.032 175.868 -0.836 19415 5018 1 11 . 1 1 104 104 GLN CA C 104 56.385 56.385 56.055 0.330 19415 5019 1 11 . 1 1 104 104 GLN CB C 104 25.801 25.801 28.982 -3.181 19415 5020 1 11 . 1 1 104 104 GLN H H 104 9.312 9.312 7.795 1.517 19415 5021 1 11 . 1 1 105 105 GLY N N 105 105.580 105.580 114.449 -8.869 19415 5022 1 11 . 1 1 105 105 GLY C C 105 173.414 173.414 174.585 -1.171 19415 5023 1 11 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.806 -0.331 19415 5024 1 11 . 1 1 105 105 GLY H H 105 8.493 8.493 8.731 -0.238 19415 5025 1 11 . 1 1 106 106 ASN N N 106 120.347 120.347 120.937 -0.590 19415 5026 1 11 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.771 0.049 19415 5027 1 11 . 1 1 106 106 ASN C C 106 174.060 174.060 174.053 0.007 19415 5028 1 11 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.719 -0.942 19415 5029 1 11 . 1 1 106 106 ASN CB C 106 41.604 41.604 39.987 1.617 19415 5030 1 11 . 1 1 106 106 ASN H H 106 8.085 8.085 8.136 -0.051 19415 5031 1 11 . 1 1 107 107 VAL N N 107 118.992 118.992 115.754 3.238 19415 5032 1 11 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.830 -0.056 19415 5033 1 11 . 1 1 107 107 VAL C C 107 173.066 173.066 173.975 -0.909 19415 5034 1 11 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.301 0.275 19415 5035 1 11 . 1 1 107 107 VAL CB C 107 34.475 34.475 34.039 0.436 19415 5036 1 11 . 1 1 107 107 VAL H H 107 8.207 8.207 7.634 0.573 19415 5037 1 11 . 1 1 108 108 TYR N N 108 121.397 121.397 120.331 1.066 19415 5038 1 11 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.760 1.170 19415 5039 1 11 . 1 1 108 108 TYR C C 108 177.709 177.709 175.027 2.682 19415 5040 1 11 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.292 -0.290 19415 5041 1 11 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.827 0.111 19415 5042 1 11 . 1 1 108 108 TYR H H 108 8.681 8.681 8.576 0.105 19415 5043 1 11 . 1 1 109 109 HIS N N 109 120.399 120.399 118.252 2.147 19415 5044 1 11 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.619 0.138 19415 5045 1 11 . 1 1 109 109 HIS C C 109 178.297 178.297 176.854 1.443 19415 5046 1 11 . 1 1 109 109 HIS CA C 109 59.269 59.269 56.704 2.565 19415 5047 1 11 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.251 0.188 19415 5048 1 11 . 1 1 109 109 HIS H H 109 8.681 8.681 8.710 -0.029 19415 5049 1 11 . 1 1 110 110 LEU N N 110 124.629 124.629 119.446 5.183 19415 5050 1 11 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.090 -0.208 19415 5051 1 11 . 1 1 110 110 LEU C C 110 180.956 180.956 178.902 2.054 19415 5052 1 11 . 1 1 110 110 LEU CA C 110 60.072 60.072 58.640 1.432 19415 5053 1 11 . 1 1 110 110 LEU CB C 110 40.482 40.482 41.673 -1.191 19415 5054 1 11 . 1 1 110 110 LEU H H 110 8.924 8.924 9.046 -0.122 19415 5055 1 11 . 1 1 111 111 LYS N N 111 112.542 112.542 118.555 -6.013 19415 5056 1 11 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.241 -0.245 19415 5057 1 11 . 1 1 111 111 LYS C C 111 176.711 176.711 178.004 -1.293 19415 5058 1 11 . 1 1 111 111 LYS CA C 111 57.937 57.937 59.042 -1.105 19415 5059 1 11 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.320 0.389 19415 5060 1 11 . 1 1 111 111 LYS H H 111 8.586 8.586 8.264 0.322 19415 5061 1 11 . 1 1 112 112 CYS N N 112 117.897 117.897 116.783 1.114 19415 5062 1 11 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.631 -0.239 19415 5063 1 11 . 1 1 112 112 CYS C C 112 173.923 173.923 175.729 -1.806 19415 5064 1 11 . 1 1 112 112 CYS CA C 112 60.255 60.255 60.194 0.061 19415 5065 1 11 . 1 1 112 112 CYS CB C 112 31.434 31.434 25.771 5.662 19415 5066 1 11 . 1 1 112 112 CYS H H 112 7.439 7.439 8.253 -0.814 19415 5067 1 11 . 1 1 113 113 PHE N N 113 126.150 126.150 124.946 1.204 19415 5068 1 11 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.437 -0.356 19415 5069 1 11 . 1 1 113 113 PHE C C 113 172.777 172.777 174.014 -1.237 19415 5070 1 11 . 1 1 113 113 PHE CA C 113 57.131 57.131 55.818 1.313 19415 5071 1 11 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.294 -0.485 19415 5072 1 11 . 1 1 113 113 PHE H H 113 7.467 7.467 8.148 -0.681 19415 5073 1 11 . 1 1 114 114 THR N N 114 112.302 112.302 116.404 -4.102 19415 5074 1 11 . 1 1 114 114 THR HA H 114 4.577 4.577 5.002 -0.425 19415 5075 1 11 . 1 1 114 114 THR C C 114 172.592 172.592 173.953 -1.361 19415 5076 1 11 . 1 1 114 114 THR CA C 114 57.922 57.922 59.488 -1.566 19415 5077 1 11 . 1 1 114 114 THR CB C 114 72.187 72.187 71.551 0.636 19415 5078 1 11 . 1 1 114 114 THR H H 114 6.895 6.895 7.892 -0.997 19415 5079 1 11 . 1 1 115 115 CYS N N 115 121.388 121.388 120.308 1.080 19415 5080 1 11 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.652 -0.862 19415 5081 1 11 . 1 1 115 115 CYS C C 115 177.309 177.309 176.113 1.196 19415 5082 1 11 . 1 1 115 115 CYS CA C 115 59.284 59.284 57.278 2.006 19415 5083 1 11 . 1 1 115 115 CYS CB C 115 31.621 31.621 29.670 1.951 19415 5084 1 11 . 1 1 115 115 CYS H H 115 7.981 7.981 8.809 -0.828 19415 5085 1 11 . 1 1 116 116 SER N N 116 127.333 127.333 119.685 7.648 19415 5086 1 11 . 1 1 116 116 SER HA H 116 4.066 4.066 4.345 -0.279 19415 5087 1 11 . 1 1 116 116 SER C C 116 174.522 174.522 176.045 -1.523 19415 5088 1 11 . 1 1 116 116 SER CA C 116 61.507 61.507 61.236 0.271 19415 5089 1 11 . 1 1 116 116 SER CB C 116 63.619 63.619 62.818 0.801 19415 5090 1 11 . 1 1 116 116 SER H H 116 9.064 9.064 8.649 0.415 19415 5091 1 11 . 1 1 117 117 THR N N 117 121.020 121.020 117.649 3.371 19415 5092 1 11 . 1 1 117 117 THR HA H 117 4.384 4.384 4.258 0.126 19415 5093 1 11 . 1 1 117 117 THR C C 117 174.713 174.713 175.818 -1.105 19415 5094 1 11 . 1 1 117 117 THR CA C 117 65.378 65.378 64.791 0.587 19415 5095 1 11 . 1 1 117 117 THR CB C 117 69.656 69.656 69.042 0.614 19415 5096 1 11 . 1 1 117 117 THR H H 117 8.939 8.939 8.565 0.374 19415 5097 1 11 . 1 1 118 118 CYS N N 118 120.215 120.215 117.248 2.967 19415 5098 1 11 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.765 -0.417 19415 5099 1 11 . 1 1 118 118 CYS C C 118 176.041 176.041 174.775 1.266 19415 5100 1 11 . 1 1 118 118 CYS CA C 118 59.487 59.487 58.271 1.216 19415 5101 1 11 . 1 1 118 118 CYS CB C 118 29.824 29.824 28.563 1.261 19415 5102 1 11 . 1 1 118 118 CYS H H 118 8.180 8.180 8.009 0.171 19415 5103 1 11 . 1 1 119 119 ARG N N 119 114.664 114.664 118.796 -4.132 19415 5104 1 11 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.193 -0.082 19415 5105 1 11 . 1 1 119 119 ARG C C 119 174.910 174.910 174.868 0.042 19415 5106 1 11 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.313 1.260 19415 5107 1 11 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.258 -0.900 19415 5108 1 11 . 1 1 119 119 ARG H H 119 7.545 7.545 8.222 -0.677 19415 5109 1 11 . 1 1 120 120 ASN N N 120 118.962 118.962 117.898 1.064 19415 5110 1 11 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.694 0.058 19415 5111 1 11 . 1 1 120 120 ASN C C 120 175.950 175.950 174.513 1.437 19415 5112 1 11 . 1 1 120 120 ASN CA C 120 53.504 53.504 52.744 0.760 19415 5113 1 11 . 1 1 120 120 ASN CB C 120 39.298 39.298 40.438 -1.140 19415 5114 1 11 . 1 1 120 120 ASN H H 120 8.232 8.232 8.074 0.158 19415 5115 1 11 . 1 1 121 121 ARG N N 121 122.104 122.104 123.394 -1.290 19415 5116 1 11 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.531 -0.546 19415 5117 1 11 . 1 1 121 121 ARG C C 121 175.638 175.638 175.982 -0.344 19415 5118 1 11 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.141 1.043 19415 5119 1 11 . 1 1 121 121 ARG CB C 121 30.567 30.567 31.146 -0.579 19415 5120 1 11 . 1 1 121 121 ARG H H 121 8.603 8.603 8.426 0.177 19415 5121 1 11 . 1 1 122 122 LEU N N 122 127.225 127.225 128.315 -1.090 19415 5122 1 11 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.312 0.217 19415 5123 1 11 . 1 1 122 122 LEU C C 122 175.345 175.345 175.590 -0.245 19415 5124 1 11 . 1 1 122 122 LEU CA C 122 53.827 53.827 54.803 -0.976 19415 5125 1 11 . 1 1 122 122 LEU CB C 122 41.572 41.572 41.866 -0.294 19415 5126 1 11 . 1 1 122 122 LEU H H 122 8.094 8.094 8.434 -0.340 19415 5127 1 11 . 1 1 123 123 VAL N N 123 121.030 121.030 120.922 0.108 19415 5128 1 11 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.441 0.034 19415 5129 1 11 . 1 1 123 123 VAL C C 123 173.190 173.190 174.033 -0.843 19415 5130 1 11 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.494 0.537 19415 5131 1 11 . 1 1 123 123 VAL CB C 123 31.454 31.454 35.068 -3.614 19415 5132 1 11 . 1 1 123 123 VAL H H 123 8.416 8.416 8.210 0.206 19415 5133 1 11 . 1 1 124 124 PRO HA H 124 3.640 3.640 3.969 -0.329 19415 5134 1 11 . 1 1 124 124 PRO C C 124 177.425 177.425 177.173 0.252 19415 5135 1 11 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.785 0.247 19415 5136 1 11 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.397 0.838 19415 5137 1 11 . 1 1 125 125 GLY N N 125 113.120 113.120 113.022 0.098 19415 5138 1 11 . 1 1 125 125 GLY C C 125 174.384 174.384 173.599 0.785 19415 5139 1 11 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.847 0.256 19415 5140 1 11 . 1 1 125 125 GLY H H 125 8.574 8.574 8.564 0.010 19415 5141 1 11 . 1 1 126 126 ASP N N 126 122.488 122.488 120.709 1.779 19415 5142 1 11 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.947 -0.224 19415 5143 1 11 . 1 1 126 126 ASP C C 126 176.558 176.558 174.965 1.593 19415 5144 1 11 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.601 1.723 19415 5145 1 11 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.015 -1.413 19415 5146 1 11 . 1 1 126 126 ASP H H 126 8.476 8.476 8.184 0.292 19415 5147 1 11 . 1 1 127 127 ARG N N 127 122.074 122.074 119.078 2.996 19415 5148 1 11 . 1 1 127 127 ARG HA H 127 5.047 5.047 4.948 0.099 19415 5149 1 11 . 1 1 127 127 ARG C C 127 175.671 175.671 175.235 0.436 19415 5150 1 11 . 1 1 127 127 ARG CA C 127 55.559 55.559 56.095 -0.536 19415 5151 1 11 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.303 -0.441 19415 5152 1 11 . 1 1 127 127 ARG H H 127 8.697 8.697 8.420 0.277 19415 5153 1 11 . 1 1 128 128 PHE N N 128 120.179 120.179 120.868 -0.689 19415 5154 1 11 . 1 1 128 128 PHE HA H 128 5.194 5.194 5.129 0.065 19415 5155 1 11 . 1 1 128 128 PHE C C 128 171.304 171.304 172.922 -1.618 19415 5156 1 11 . 1 1 128 128 PHE CA C 128 55.427 55.427 55.692 -0.265 19415 5157 1 11 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.593 0.920 19415 5158 1 11 . 1 1 128 128 PHE H H 128 8.869 8.869 9.183 -0.314 19415 5159 1 11 . 1 1 129 129 HIS N N 129 118.586 118.586 118.289 0.297 19415 5160 1 11 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.525 0.156 19415 5161 1 11 . 1 1 129 129 HIS C C 129 173.764 173.764 173.173 0.591 19415 5162 1 11 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.790 0.020 19415 5163 1 11 . 1 1 129 129 HIS CB C 129 34.983 34.983 34.423 0.560 19415 5164 1 11 . 1 1 129 129 HIS H H 129 9.292 9.292 9.138 0.154 19415 5165 1 11 . 1 1 130 130 TYR N N 130 125.995 125.995 125.821 0.174 19415 5166 1 11 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.513 0.206 19415 5167 1 11 . 1 1 130 130 TYR C C 130 174.625 174.625 174.589 0.036 19415 5168 1 11 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.914 -0.732 19415 5169 1 11 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.635 0.644 19415 5170 1 11 . 1 1 130 130 TYR H H 130 8.865 8.865 7.927 0.938 19415 5171 1 11 . 1 1 131 131 ILE N N 131 126.610 126.610 127.949 -1.339 19415 5172 1 11 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.395 -0.072 19415 5173 1 11 . 1 1 131 131 ILE C C 131 175.516 175.516 174.912 0.604 19415 5174 1 11 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.197 -0.470 19415 5175 1 11 . 1 1 131 131 ILE CB C 131 41.170 41.170 39.291 1.879 19415 5176 1 11 . 1 1 131 131 ILE H H 131 8.889 8.889 8.604 0.285 19415 5177 1 11 . 1 1 132 132 ASN N N 132 126.614 126.614 126.549 0.065 19415 5178 1 11 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.395 -0.034 19415 5179 1 11 . 1 1 132 132 ASN C C 132 175.421 175.421 175.682 -0.261 19415 5180 1 11 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.575 0.358 19415 5181 1 11 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.969 -0.629 19415 5182 1 11 . 1 1 132 132 ASN H H 132 9.375 9.375 9.264 0.111 19415 5183 1 11 . 1 1 133 133 GLY N N 133 102.667 102.667 103.524 -0.857 19415 5184 1 11 . 1 1 133 133 GLY C C 133 173.969 173.969 173.080 0.889 19415 5185 1 11 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.460 -0.065 19415 5186 1 11 . 1 1 133 133 GLY H H 133 7.417 7.417 8.218 -0.801 19415 5187 1 11 . 1 1 134 134 SER N N 134 117.123 117.123 114.007 3.116 19415 5188 1 11 . 1 1 134 134 SER HA H 134 4.743 4.743 4.399 0.344 19415 5189 1 11 . 1 1 134 134 SER C C 134 170.825 170.825 172.629 -1.804 19415 5190 1 11 . 1 1 134 134 SER CA C 134 57.754 57.754 57.329 0.425 19415 5191 1 11 . 1 1 134 134 SER CB C 134 66.060 66.060 65.998 0.062 19415 5192 1 11 . 1 1 134 134 SER H H 134 7.639 7.639 6.991 0.648 19415 5193 1 11 . 1 1 135 135 LEU N N 135 122.242 122.242 124.480 -2.238 19415 5194 1 11 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.972 0.242 19415 5195 1 11 . 1 1 135 135 LEU C C 135 177.735 177.735 175.288 2.447 19415 5196 1 11 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.399 -0.970 19415 5197 1 11 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.486 2.199 19415 5198 1 11 . 1 1 135 135 LEU H H 135 8.236 8.236 8.569 -0.333 19415 5199 1 11 . 1 1 136 136 PHE N N 136 118.689 118.689 120.531 -1.842 19415 5200 1 11 . 1 1 136 136 PHE HA H 136 5.990 5.990 4.987 1.003 19415 5201 1 11 . 1 1 136 136 PHE C C 136 175.971 175.971 175.310 0.661 19415 5202 1 11 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.643 0.261 19415 5203 1 11 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.548 0.781 19415 5204 1 11 . 1 1 136 136 PHE H H 136 9.221 9.221 9.132 0.089 19415 5205 1 11 . 1 1 137 137 CYS N N 137 121.328 121.328 118.112 3.216 19415 5206 1 11 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.237 -0.271 19415 5207 1 11 . 1 1 137 137 CYS C C 137 175.030 175.030 175.670 -0.640 19415 5208 1 11 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.018 1.535 19415 5209 1 11 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.673 -1.448 19415 5210 1 11 . 1 1 137 137 CYS H H 137 9.716 9.716 8.915 0.801 19415 5211 1 11 . 1 1 138 138 GLU N N 138 118.055 118.055 121.788 -3.733 19415 5212 1 11 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.144 -0.001 19415 5213 1 11 . 1 1 138 138 GLU C C 138 178.535 178.535 176.881 1.654 19415 5214 1 11 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.094 0.475 19415 5215 1 11 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.719 0.176 19415 5216 1 11 . 1 1 138 138 GLU H H 138 8.476 8.476 8.827 -0.351 19415 5217 1 11 . 1 1 139 139 HIS N N 139 117.190 117.190 117.173 0.017 19415 5218 1 11 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.426 0.004 19415 5219 1 11 . 1 1 139 139 HIS C C 139 175.584 175.584 176.096 -0.512 19415 5220 1 11 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.148 -0.018 19415 5221 1 11 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.049 -1.103 19415 5222 1 11 . 1 1 139 139 HIS H H 139 8.365 8.365 7.867 0.498 19415 5223 1 11 . 1 1 140 140 ASP N N 140 118.373 118.373 119.004 -0.631 19415 5224 1 11 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.535 0.421 19415 5225 1 11 . 1 1 140 140 ASP C C 140 174.258 174.258 176.390 -2.132 19415 5226 1 11 . 1 1 140 140 ASP CA C 140 54.319 54.319 56.520 -2.201 19415 5227 1 11 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.736 0.581 19415 5228 1 11 . 1 1 140 140 ASP H H 140 8.082 8.082 7.819 0.263 19415 5229 1 11 . 1 1 141 141 ARG N N 141 121.880 121.880 118.130 3.750 19415 5230 1 11 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.513 0.103 19415 5231 1 11 . 1 1 141 141 ARG C C 141 173.939 173.939 173.335 0.604 19415 5232 1 11 . 1 1 141 141 ARG CA C 141 54.722 54.722 56.025 -1.303 19415 5233 1 11 . 1 1 141 141 ARG CB C 141 29.423 29.423 29.030 0.393 19415 5234 1 11 . 1 1 141 141 ARG H H 141 7.120 7.120 8.003 -0.883 19415 5235 1 11 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.430 -0.180 19415 5236 1 11 . 1 1 142 142 PRO C C 142 176.688 176.688 176.669 0.019 19415 5237 1 11 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.388 0.311 19415 5238 1 11 . 1 1 142 142 PRO CB C 142 31.249 31.249 30.549 0.700 19415 5239 1 11 . 1 1 143 143 THR N N 143 115.472 115.472 119.724 -4.252 19415 5240 1 11 . 1 1 143 143 THR HA H 143 3.924 3.924 3.838 0.086 19415 5241 1 11 . 1 1 143 143 THR C C 143 174.890 174.890 176.176 -1.286 19415 5242 1 11 . 1 1 143 143 THR CA C 143 63.099 63.099 66.782 -3.683 19415 5243 1 11 . 1 1 143 143 THR CB C 143 69.197 69.197 68.234 0.963 19415 5244 1 11 . 1 1 143 143 THR H H 143 8.015 8.015 8.075 -0.060 19415 5245 1 11 . 1 1 144 144 ALA N N 144 124.502 124.502 121.815 2.687 19415 5246 1 11 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.179 0.021 19415 5247 1 11 . 1 1 144 144 ALA C C 144 177.656 177.656 178.479 -0.823 19415 5248 1 11 . 1 1 144 144 ALA CA C 144 52.807 52.807 53.962 -1.155 19415 5249 1 11 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.046 0.959 19415 5250 1 11 . 1 1 144 144 ALA H H 144 8.130 8.130 8.117 0.013 19415 5251 1 11 . 1 1 145 145 LEU N N 145 119.506 119.506 119.324 0.182 19415 5252 1 11 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.097 0.179 19415 5253 1 11 . 1 1 145 145 LEU C C 145 177.574 177.574 178.434 -0.860 19415 5254 1 11 . 1 1 145 145 LEU CA C 145 55.067 55.067 57.269 -2.202 19415 5255 1 11 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.578 -0.346 19415 5256 1 11 . 1 1 145 145 LEU H H 145 7.897 7.897 7.353 0.544 19415 5257 1 11 . 1 1 146 146 ILE N N 146 120.683 120.683 116.409 4.274 19415 5258 1 11 . 1 1 146 146 ILE HA H 146 4.055 4.055 3.996 0.059 19415 5259 1 11 . 1 1 146 146 ILE C C 146 176.259 176.259 175.767 0.492 19415 5260 1 11 . 1 1 146 146 ILE CA C 146 61.486 61.486 61.261 0.225 19415 5261 1 11 . 1 1 146 146 ILE CB C 146 38.629 38.629 39.138 -0.509 19415 5262 1 11 . 1 1 146 146 ILE H H 146 7.842 7.842 7.669 0.173 19415 5263 1 11 . 1 1 405 405 ALA N N 405 133.214 133.214 127.093 6.121 19415 5264 1 11 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.133 0.338 19415 5265 1 11 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.850 -1.032 19415 5266 1 11 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.687 -1.640 19415 5267 1 11 . 1 1 405 405 ALA H H 405 9.651 9.651 8.463 1.188 19415 5268 1 11 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.497 0.090 19415 5269 1 11 . 1 1 406 406 PRO C C 406 174.175 174.175 176.094 -1.919 19415 5270 1 11 . 1 1 406 406 PRO CA C 406 61.942 61.942 63.211 -1.269 19415 5271 1 11 . 1 1 406 406 PRO CB C 406 32.989 32.989 31.970 1.019 19415 5272 1 11 . 1 1 407 407 PHE N N 407 113.077 113.077 116.233 -3.156 19415 5273 1 11 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.227 0.277 19415 5274 1 11 . 1 1 407 407 PHE C C 407 174.954 174.954 173.999 0.955 19415 5275 1 11 . 1 1 407 407 PHE CA C 407 57.263 57.263 57.565 -0.302 19415 5276 1 11 . 1 1 407 407 PHE CB C 407 38.318 38.318 37.851 0.467 19415 5277 1 11 . 1 1 407 407 PHE H H 407 7.899 7.899 7.494 0.405 19415 5278 1 11 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.841 -0.088 19415 5279 1 11 . 1 1 408 408 PRO C C 408 175.865 175.865 175.542 0.323 19415 5280 1 11 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.517 0.409 19415 5281 1 11 . 1 1 408 408 PRO CB C 408 33.457 33.457 32.826 0.631 19415 5282 1 11 . 1 1 409 409 GLU N N 409 119.349 119.349 121.252 -1.903 19415 5283 1 11 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.522 0.201 19415 5284 1 11 . 1 1 409 409 GLU C C 409 174.291 174.291 174.726 -0.435 19415 5285 1 11 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.472 -0.292 19415 5286 1 11 . 1 1 409 409 GLU CB C 409 34.429 34.429 33.324 1.105 19415 5287 1 11 . 1 1 409 409 GLU H H 409 8.813 8.813 8.924 -0.111 19415 5288 1 11 . 1 1 410 410 ALA N N 410 124.017 124.017 124.747 -0.730 19415 5289 1 11 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.647 -0.316 19415 5290 1 11 . 1 1 410 410 ALA C C 410 178.181 178.181 176.739 1.442 19415 5291 1 11 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.502 -0.261 19415 5292 1 11 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.808 -0.706 19415 5293 1 11 . 1 1 410 410 ALA H H 410 8.562 8.562 8.483 0.079 19415 5294 1 11 . 1 1 411 411 ALA N N 411 124.837 124.837 124.990 -0.153 19415 5295 1 11 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.410 -0.481 19415 5296 1 11 . 1 1 411 411 ALA C C 411 178.042 178.042 176.535 1.507 19415 5297 1 11 . 1 1 411 411 ALA CA C 411 54.247 54.247 51.588 2.659 19415 5298 1 11 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.333 -0.603 19415 5299 1 11 . 1 1 411 411 ALA H H 411 8.475 8.475 8.348 0.127 19415 5300 1 11 . 1 1 412 412 LEU N N 412 119.893 119.893 123.023 -3.130 19415 5301 1 11 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.658 0.050 19415 5302 1 11 . 1 1 412 412 LEU C C 412 174.281 174.281 174.747 -0.466 19415 5303 1 11 . 1 1 412 412 LEU CA C 412 52.130 52.130 52.749 -0.619 19415 5304 1 11 . 1 1 412 412 LEU CB C 412 42.645 42.645 42.397 0.248 19415 5305 1 11 . 1 1 412 412 LEU H H 412 8.075 8.075 8.177 -0.102 19415 5306 1 11 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.447 0.006 19415 5307 1 11 . 1 1 413 413 PRO C C 413 177.094 177.094 176.563 0.531 19415 5308 1 11 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.776 0.225 19415 5309 1 11 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.357 -0.178 19415 5310 1 11 . 1 1 414 414 THR N N 414 114.256 114.256 121.992 -7.736 19415 5311 1 11 . 1 1 414 414 THR HA H 414 4.294 4.294 4.491 -0.197 19415 5312 1 11 . 1 1 414 414 THR C C 414 174.480 174.480 174.568 -0.088 19415 5313 1 11 . 1 1 414 414 THR CA C 414 61.757 61.757 63.597 -1.840 19415 5314 1 11 . 1 1 414 414 THR CB C 414 69.712 69.712 69.743 -0.031 19415 5315 1 11 . 1 1 414 414 THR H H 414 8.177 8.177 7.997 0.180 19415 5316 1 11 . 1 1 415 415 SER N N 415 117.918 117.918 116.982 0.936 19415 5317 1 11 . 1 1 415 415 SER HA H 415 4.424 4.424 4.193 0.231 19415 5318 1 11 . 1 1 415 415 SER C C 415 173.689 173.689 173.523 0.166 19415 5319 1 11 . 1 1 415 415 SER CA C 415 58.072 58.072 59.046 -0.974 19415 5320 1 11 . 1 1 415 415 SER CB C 415 63.852 63.852 63.230 0.622 19415 5321 1 11 . 1 1 415 415 SER H H 415 8.193 8.193 8.213 -0.020 19415 5322 1 11 . 1 1 416 416 HIS N N 416 121.537 121.537 120.726 0.811 19415 5323 1 11 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.816 0.126 19415 5324 1 11 . 1 1 416 416 HIS C C 416 172.547 172.547 174.255 -1.708 19415 5325 1 11 . 1 1 416 416 HIS CA C 416 53.702 53.702 53.782 -0.080 19415 5326 1 11 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.193 -0.731 19415 5327 1 11 . 1 1 416 416 HIS H H 416 8.373 8.373 8.468 -0.095 19415 5328 1 11 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.580 -0.159 19415 5329 1 11 . 1 1 417 417 PRO C C 417 176.060 176.060 176.309 -0.249 19415 5330 1 11 . 1 1 417 417 PRO CA C 417 63.448 63.448 63.029 0.419 19415 5331 1 11 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.139 0.020 19415 5332 1 11 . 1 1 902 902 GLY N N 902 108.524 108.524 108.008 0.516 19415 5333 1 11 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.749 0.610 19415 5334 1 11 . 1 1 902 902 GLY H H 902 8.196 8.196 8.301 -0.105 19415 5335 1 11 . 1 1 903 903 SER N N 903 115.821 115.821 114.116 1.705 19415 5336 1 11 . 1 1 903 903 SER HA H 903 4.403 4.403 4.012 0.391 19415 5337 1 11 . 1 1 903 903 SER CA C 903 58.602 58.602 59.109 -0.507 19415 5338 1 11 . 1 1 903 903 SER CB C 903 63.762 63.762 62.136 1.626 19415 5339 1 11 . 1 1 903 903 SER H H 903 8.354 8.354 8.450 -0.096 19415 5340 1 11 . 1 1 904 904 GLY N N 904 110.847 110.847 110.240 0.607 19415 5341 1 11 . 1 1 904 904 GLY C C 904 174.889 174.889 174.885 0.004 19415 5342 1 11 . 1 1 904 904 GLY CA C 904 45.594 45.594 44.952 0.642 19415 5343 1 11 . 1 1 904 904 GLY H H 904 8.558 8.558 8.156 0.402 19415 5344 1 11 . 1 1 905 905 GLY N N 905 108.922 108.922 110.422 -1.500 19415 5345 1 11 . 1 1 905 905 GLY C C 905 174.452 174.452 173.871 0.581 19415 5346 1 11 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.547 1.002 19415 5347 1 11 . 1 1 905 905 GLY H H 905 8.307 8.307 8.124 0.183 19415 5348 1 11 . 1 1 906 906 SER N N 906 115.224 115.224 112.379 2.845 19415 5349 1 11 . 1 1 906 906 SER HA H 906 4.552 4.552 4.105 0.447 19415 5350 1 11 . 1 1 906 906 SER C C 906 175.108 175.108 173.875 1.233 19415 5351 1 11 . 1 1 906 906 SER CA C 906 58.647 58.647 59.208 -0.561 19415 5352 1 11 . 1 1 906 906 SER CB C 906 64.091 64.091 62.332 1.759 19415 5353 1 11 . 1 1 906 906 SER H H 906 8.362 8.362 7.702 0.660 19415 5354 1 11 . 1 1 907 907 GLY N N 907 110.875 110.875 105.878 4.997 19415 5355 1 11 . 1 1 907 907 GLY C C 907 173.335 173.335 173.409 -0.074 19415 5356 1 11 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.551 0.459 19415 5357 1 11 . 1 1 907 907 GLY H H 907 8.437 8.437 7.859 0.578 19415 5358 1 12 . 1 1 78 78 ILE N N 78 124.415 124.415 119.598 4.817 19415 5359 1 12 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.339 -0.297 19415 5360 1 12 . 1 1 78 78 ILE C C 78 175.260 175.260 174.016 1.244 19415 5361 1 12 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.918 -1.191 19415 5362 1 12 . 1 1 78 78 ILE CB C 78 38.922 38.922 39.416 -0.494 19415 5363 1 12 . 1 1 78 78 ILE H H 78 8.025 8.025 7.602 0.423 19415 5364 1 12 . 1 1 79 79 ARG N N 79 125.999 125.999 128.891 -2.892 19415 5365 1 12 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.613 -0.398 19415 5366 1 12 . 1 1 79 79 ARG C C 79 175.494 175.494 174.374 1.120 19415 5367 1 12 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.996 -0.140 19415 5368 1 12 . 1 1 79 79 ARG CB C 79 30.774 30.774 30.166 0.609 19415 5369 1 12 . 1 1 79 79 ARG H H 79 8.249 8.249 8.733 -0.484 19415 5370 1 12 . 1 1 80 80 LEU N N 80 124.427 124.427 113.467 10.960 19415 5371 1 12 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.672 -0.380 19415 5372 1 12 . 1 1 80 80 LEU C C 80 176.785 176.785 174.902 1.883 19415 5373 1 12 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.843 0.977 19415 5374 1 12 . 1 1 80 80 LEU CB C 80 42.520 42.520 44.012 -1.492 19415 5375 1 12 . 1 1 80 80 LEU H H 80 8.190 8.190 7.413 0.777 19415 5376 1 12 . 1 1 81 81 PHE N N 81 120.462 120.462 122.701 -2.239 19415 5377 1 12 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.654 -0.030 19415 5378 1 12 . 1 1 81 81 PHE C C 81 176.212 176.212 175.292 0.920 19415 5379 1 12 . 1 1 81 81 PHE CA C 81 57.570 57.570 56.220 1.350 19415 5380 1 12 . 1 1 81 81 PHE CB C 81 39.802 39.802 37.271 2.531 19415 5381 1 12 . 1 1 81 81 PHE H H 81 8.244 8.244 8.198 0.046 19415 5382 1 12 . 1 1 82 82 GLY N N 82 110.003 110.003 113.487 -3.484 19415 5383 1 12 . 1 1 82 82 GLY C C 82 173.730 173.730 172.631 1.099 19415 5384 1 12 . 1 1 82 82 GLY CA C 82 45.415 45.415 45.007 0.409 19415 5385 1 12 . 1 1 82 82 GLY H H 82 8.351 8.351 8.154 0.197 19415 5386 1 12 . 1 1 83 83 ASN N N 83 118.840 118.840 119.953 -1.113 19415 5387 1 12 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.848 -0.054 19415 5388 1 12 . 1 1 83 83 ASN C C 83 175.312 175.312 173.639 1.673 19415 5389 1 12 . 1 1 83 83 ASN CA C 83 52.996 52.996 52.382 0.614 19415 5390 1 12 . 1 1 83 83 ASN CB C 83 39.137 39.137 41.024 -1.887 19415 5391 1 12 . 1 1 83 83 ASN H H 83 8.325 8.325 8.499 -0.174 19415 5392 1 12 . 1 1 84 84 SER N N 84 116.555 116.555 115.200 1.355 19415 5393 1 12 . 1 1 84 84 SER CA C 84 58.823 58.823 59.352 -0.529 19415 5394 1 12 . 1 1 84 84 SER CB C 84 63.887 63.887 61.993 1.894 19415 5395 1 12 . 1 1 84 84 SER H H 84 8.463 8.463 8.784 -0.321 19415 5396 1 12 . 1 1 85 85 GLY N N 85 109.826 109.826 108.035 1.791 19415 5397 1 12 . 1 1 85 85 GLY C C 85 172.709 172.709 171.703 1.006 19415 5398 1 12 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.035 0.118 19415 5399 1 12 . 1 1 85 85 GLY H H 85 8.341 8.341 8.197 0.144 19415 5400 1 12 . 1 1 86 86 ALA N N 86 122.100 122.100 124.250 -2.150 19415 5401 1 12 . 1 1 86 86 ALA HA H 86 4.447 4.447 5.061 -0.614 19415 5402 1 12 . 1 1 86 86 ALA C C 86 175.383 175.383 176.035 -0.652 19415 5403 1 12 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.391 0.133 19415 5404 1 12 . 1 1 86 86 ALA CB C 86 20.712 20.712 22.185 -1.473 19415 5405 1 12 . 1 1 86 86 ALA H H 86 7.703 7.703 7.596 0.107 19415 5406 1 12 . 1 1 87 87 CYS N N 87 121.922 121.922 120.545 1.377 19415 5407 1 12 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.533 -0.336 19415 5408 1 12 . 1 1 87 87 CYS C C 87 178.454 178.454 176.493 1.961 19415 5409 1 12 . 1 1 87 87 CYS CA C 87 58.515 58.515 58.615 -0.100 19415 5410 1 12 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.074 3.526 19415 5411 1 12 . 1 1 87 87 CYS H H 87 7.968 7.968 8.341 -0.373 19415 5412 1 12 . 1 1 88 88 SER N N 88 126.804 126.804 122.894 3.910 19415 5413 1 12 . 1 1 88 88 SER HA H 88 4.174 4.174 4.495 -0.321 19415 5414 1 12 . 1 1 88 88 SER C C 88 173.647 173.647 173.846 -0.199 19415 5415 1 12 . 1 1 88 88 SER CA C 88 62.158 62.158 59.273 2.885 19415 5416 1 12 . 1 1 88 88 SER CB C 88 63.401 63.401 62.442 0.959 19415 5417 1 12 . 1 1 88 88 SER H H 88 9.202 9.202 8.312 0.890 19415 5418 1 12 . 1 1 89 89 ALA N N 89 123.763 123.763 123.370 0.393 19415 5419 1 12 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.594 0.242 19415 5420 1 12 . 1 1 89 89 ALA C C 89 178.007 178.007 177.938 0.069 19415 5421 1 12 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.297 0.636 19415 5422 1 12 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.814 1.431 19415 5423 1 12 . 1 1 89 89 ALA H H 89 8.964 8.964 7.497 1.467 19415 5424 1 12 . 1 1 90 90 CYS N N 90 115.099 115.099 115.940 -0.841 19415 5425 1 12 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.712 0.320 19415 5426 1 12 . 1 1 90 90 CYS C C 90 177.164 177.164 175.098 2.066 19415 5427 1 12 . 1 1 90 90 CYS CA C 90 58.754 58.754 58.859 -0.105 19415 5428 1 12 . 1 1 90 90 CYS CB C 90 31.688 31.688 28.986 2.702 19415 5429 1 12 . 1 1 90 90 CYS H H 90 8.078 8.078 7.778 0.300 19415 5430 1 12 . 1 1 91 91 GLY N N 91 112.869 112.869 109.113 3.756 19415 5431 1 12 . 1 1 91 91 GLY C C 91 173.725 173.725 173.330 0.395 19415 5432 1 12 . 1 1 91 91 GLY CA C 91 46.303 46.303 44.618 1.685 19415 5433 1 12 . 1 1 91 91 GLY H H 91 7.996 7.996 8.341 -0.345 19415 5434 1 12 . 1 1 92 92 GLN N N 92 119.848 119.848 119.195 0.653 19415 5435 1 12 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.753 -0.178 19415 5436 1 12 . 1 1 92 92 GLN C C 92 176.015 176.015 175.201 0.814 19415 5437 1 12 . 1 1 92 92 GLN CA C 92 54.954 54.954 54.032 0.922 19415 5438 1 12 . 1 1 92 92 GLN CB C 92 30.026 30.026 33.426 -3.400 19415 5439 1 12 . 1 1 92 92 GLN H H 92 8.341 8.341 8.237 0.104 19415 5440 1 12 . 1 1 93 93 SER N N 93 116.734 116.734 118.449 -1.715 19415 5441 1 12 . 1 1 93 93 SER C C 93 173.776 173.776 175.062 -1.286 19415 5442 1 12 . 1 1 93 93 SER CA C 93 59.491 59.491 58.769 0.722 19415 5443 1 12 . 1 1 93 93 SER CB C 93 63.707 63.707 63.461 0.246 19415 5444 1 12 . 1 1 93 93 SER H H 93 8.656 8.656 8.572 0.084 19415 5445 1 12 . 1 1 94 94 ILE N N 94 126.045 126.045 127.722 -1.677 19415 5446 1 12 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.354 -0.012 19415 5447 1 12 . 1 1 94 94 ILE CA C 94 58.525 58.525 60.138 -1.613 19415 5448 1 12 . 1 1 94 94 ILE CB C 94 39.907 39.907 37.874 2.033 19415 5449 1 12 . 1 1 94 94 ILE H H 94 8.281 8.281 8.020 0.261 19415 5450 1 12 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.642 -0.169 19415 5451 1 12 . 1 1 95 95 PRO C C 95 176.605 176.605 177.452 -0.847 19415 5452 1 12 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.112 0.740 19415 5453 1 12 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.090 0.701 19415 5454 1 12 . 1 1 96 96 ALA N N 96 122.591 122.591 123.024 -0.433 19415 5455 1 12 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.127 -0.127 19415 5456 1 12 . 1 1 96 96 ALA C C 96 177.763 177.763 177.651 0.112 19415 5457 1 12 . 1 1 96 96 ALA CA C 96 54.605 54.605 54.078 0.527 19415 5458 1 12 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.489 0.617 19415 5459 1 12 . 1 1 96 96 ALA H H 96 8.400 8.400 8.491 -0.091 19415 5460 1 12 . 1 1 97 97 SER N N 97 107.288 107.288 111.759 -4.471 19415 5461 1 12 . 1 1 97 97 SER HA H 97 4.270 4.270 4.347 -0.077 19415 5462 1 12 . 1 1 97 97 SER C C 97 174.625 174.625 174.417 0.208 19415 5463 1 12 . 1 1 97 97 SER CA C 97 58.532 58.532 58.401 0.131 19415 5464 1 12 . 1 1 97 97 SER CB C 97 63.538 63.538 63.174 0.364 19415 5465 1 12 . 1 1 97 97 SER H H 97 7.796 7.796 8.000 -0.204 19415 5466 1 12 . 1 1 98 98 GLU N N 98 124.231 124.231 122.686 1.545 19415 5467 1 12 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.512 -0.255 19415 5468 1 12 . 1 1 98 98 GLU C C 98 175.476 175.476 174.798 0.678 19415 5469 1 12 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.187 1.334 19415 5470 1 12 . 1 1 98 98 GLU CB C 98 31.081 31.081 30.955 0.126 19415 5471 1 12 . 1 1 98 98 GLU H H 98 7.649 7.649 7.396 0.253 19415 5472 1 12 . 1 1 99 99 LEU N N 99 122.696 122.696 126.742 -4.046 19415 5473 1 12 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.411 0.094 19415 5474 1 12 . 1 1 99 99 LEU C C 99 176.253 176.253 176.060 0.193 19415 5475 1 12 . 1 1 99 99 LEU CA C 99 54.635 54.635 54.430 0.205 19415 5476 1 12 . 1 1 99 99 LEU CB C 99 42.967 42.967 42.652 0.315 19415 5477 1 12 . 1 1 99 99 LEU H H 99 8.250 8.250 8.649 -0.399 19415 5478 1 12 . 1 1 100 100 VAL N N 100 112.933 112.933 117.130 -4.197 19415 5479 1 12 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.520 0.383 19415 5480 1 12 . 1 1 100 100 VAL C C 100 175.544 175.544 174.932 0.612 19415 5481 1 12 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.541 -0.793 19415 5482 1 12 . 1 1 100 100 VAL CB C 100 35.898 35.898 33.505 2.393 19415 5483 1 12 . 1 1 100 100 VAL H H 100 8.934 8.934 8.593 0.341 19415 5484 1 12 . 1 1 101 101 MET N N 101 116.964 116.964 123.944 -6.980 19415 5485 1 12 . 1 1 101 101 MET HA H 101 4.676 4.676 4.694 -0.018 19415 5486 1 12 . 1 1 101 101 MET C C 101 175.197 175.197 174.950 0.247 19415 5487 1 12 . 1 1 101 101 MET CA C 101 52.397 52.397 54.897 -2.499 19415 5488 1 12 . 1 1 101 101 MET CB C 101 34.490 34.490 33.846 0.644 19415 5489 1 12 . 1 1 101 101 MET H H 101 8.299 8.299 8.762 -0.463 19415 5490 1 12 . 1 1 102 102 ARG N N 102 122.278 122.278 126.537 -4.259 19415 5491 1 12 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.459 0.695 19415 5492 1 12 . 1 1 102 102 ARG C C 102 175.008 175.008 175.605 -0.597 19415 5493 1 12 . 1 1 102 102 ARG CA C 102 54.850 54.850 55.046 -0.196 19415 5494 1 12 . 1 1 102 102 ARG CB C 102 32.335 32.335 30.743 1.592 19415 5495 1 12 . 1 1 102 102 ARG H H 102 8.112 8.112 8.196 -0.084 19415 5496 1 12 . 1 1 103 103 ALA N N 103 123.373 123.373 129.880 -6.507 19415 5497 1 12 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.460 0.139 19415 5498 1 12 . 1 1 103 103 ALA C C 103 176.137 176.137 177.255 -1.118 19415 5499 1 12 . 1 1 103 103 ALA CA C 103 52.049 52.049 53.706 -1.657 19415 5500 1 12 . 1 1 103 103 ALA CB C 103 21.835 21.835 19.762 2.073 19415 5501 1 12 . 1 1 103 103 ALA H H 103 8.129 8.129 8.652 -0.523 19415 5502 1 12 . 1 1 104 104 GLN N N 104 120.352 120.352 114.726 5.626 19415 5503 1 12 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.296 -0.494 19415 5504 1 12 . 1 1 104 104 GLN C C 104 175.032 175.032 176.614 -1.582 19415 5505 1 12 . 1 1 104 104 GLN CA C 104 56.385 56.385 56.556 -0.171 19415 5506 1 12 . 1 1 104 104 GLN CB C 104 25.801 25.801 29.283 -3.482 19415 5507 1 12 . 1 1 104 104 GLN H H 104 9.312 9.312 7.498 1.814 19415 5508 1 12 . 1 1 105 105 GLY N N 105 105.580 105.580 108.043 -2.463 19415 5509 1 12 . 1 1 105 105 GLY C C 105 173.414 173.414 175.441 -2.027 19415 5510 1 12 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.307 0.168 19415 5511 1 12 . 1 1 105 105 GLY H H 105 8.493 8.493 8.805 -0.312 19415 5512 1 12 . 1 1 106 106 ASN N N 106 120.347 120.347 118.861 1.486 19415 5513 1 12 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.808 0.012 19415 5514 1 12 . 1 1 106 106 ASN C C 106 174.060 174.060 173.956 0.104 19415 5515 1 12 . 1 1 106 106 ASN CA C 106 51.777 51.777 53.029 -1.252 19415 5516 1 12 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.283 1.321 19415 5517 1 12 . 1 1 106 106 ASN H H 106 8.085 8.085 7.640 0.445 19415 5518 1 12 . 1 1 107 107 VAL N N 107 118.992 118.992 117.223 1.769 19415 5519 1 12 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.381 0.393 19415 5520 1 12 . 1 1 107 107 VAL C C 107 173.066 173.066 173.838 -0.772 19415 5521 1 12 . 1 1 107 107 VAL CA C 107 60.576 60.576 59.940 0.636 19415 5522 1 12 . 1 1 107 107 VAL CB C 107 34.475 34.475 32.605 1.870 19415 5523 1 12 . 1 1 107 107 VAL H H 107 8.207 8.207 7.427 0.780 19415 5524 1 12 . 1 1 108 108 TYR N N 108 121.397 121.397 121.482 -0.085 19415 5525 1 12 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.866 1.064 19415 5526 1 12 . 1 1 108 108 TYR C C 108 177.709 177.709 175.131 2.578 19415 5527 1 12 . 1 1 108 108 TYR CA C 108 56.002 56.002 55.982 0.020 19415 5528 1 12 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.434 0.504 19415 5529 1 12 . 1 1 108 108 TYR H H 108 8.681 8.681 8.179 0.502 19415 5530 1 12 . 1 1 109 109 HIS N N 109 120.399 120.399 117.640 2.759 19415 5531 1 12 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.764 -0.007 19415 5532 1 12 . 1 1 109 109 HIS C C 109 178.297 178.297 176.562 1.735 19415 5533 1 12 . 1 1 109 109 HIS CA C 109 59.269 59.269 55.762 3.507 19415 5534 1 12 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.849 -0.410 19415 5535 1 12 . 1 1 109 109 HIS H H 109 8.681 8.681 8.828 -0.147 19415 5536 1 12 . 1 1 110 110 LEU N N 110 124.629 124.629 120.048 4.581 19415 5537 1 12 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.076 -0.194 19415 5538 1 12 . 1 1 110 110 LEU C C 110 180.956 180.956 178.673 2.283 19415 5539 1 12 . 1 1 110 110 LEU CA C 110 60.072 60.072 58.822 1.250 19415 5540 1 12 . 1 1 110 110 LEU CB C 110 40.482 40.482 41.961 -1.479 19415 5541 1 12 . 1 1 110 110 LEU H H 110 8.924 8.924 9.193 -0.269 19415 5542 1 12 . 1 1 111 111 LYS N N 111 112.542 112.542 114.431 -1.889 19415 5543 1 12 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.234 -0.238 19415 5544 1 12 . 1 1 111 111 LYS C C 111 176.711 176.711 175.889 0.822 19415 5545 1 12 . 1 1 111 111 LYS CA C 111 57.937 57.937 57.619 0.318 19415 5546 1 12 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.739 -0.030 19415 5547 1 12 . 1 1 111 111 LYS H H 111 8.586 8.586 8.567 0.019 19415 5548 1 12 . 1 1 112 112 CYS N N 112 117.897 117.897 116.734 1.163 19415 5549 1 12 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.704 -0.312 19415 5550 1 12 . 1 1 112 112 CYS C C 112 173.923 173.923 175.472 -1.549 19415 5551 1 12 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.609 1.646 19415 5552 1 12 . 1 1 112 112 CYS CB C 112 31.434 31.434 28.007 3.427 19415 5553 1 12 . 1 1 112 112 CYS H H 112 7.439 7.439 7.121 0.318 19415 5554 1 12 . 1 1 113 113 PHE N N 113 126.150 126.150 125.211 0.939 19415 5555 1 12 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.262 -0.181 19415 5556 1 12 . 1 1 113 113 PHE C C 113 172.777 172.777 173.940 -1.163 19415 5557 1 12 . 1 1 113 113 PHE CA C 113 57.131 57.131 57.270 -0.139 19415 5558 1 12 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.747 -0.938 19415 5559 1 12 . 1 1 113 113 PHE H H 113 7.467 7.467 8.571 -1.104 19415 5560 1 12 . 1 1 114 114 THR N N 114 112.302 112.302 117.065 -4.763 19415 5561 1 12 . 1 1 114 114 THR HA H 114 4.577 4.577 5.171 -0.594 19415 5562 1 12 . 1 1 114 114 THR C C 114 172.592 172.592 173.445 -0.853 19415 5563 1 12 . 1 1 114 114 THR CA C 114 57.922 57.922 59.672 -1.750 19415 5564 1 12 . 1 1 114 114 THR CB C 114 72.187 72.187 71.984 0.203 19415 5565 1 12 . 1 1 114 114 THR H H 114 6.895 6.895 7.725 -0.830 19415 5566 1 12 . 1 1 115 115 CYS N N 115 121.388 121.388 117.475 3.913 19415 5567 1 12 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.675 -0.885 19415 5568 1 12 . 1 1 115 115 CYS C C 115 177.309 177.309 176.530 0.779 19415 5569 1 12 . 1 1 115 115 CYS CA C 115 59.284 59.284 56.442 2.842 19415 5570 1 12 . 1 1 115 115 CYS CB C 115 31.621 31.621 29.733 1.888 19415 5571 1 12 . 1 1 115 115 CYS H H 115 7.981 7.981 8.164 -0.183 19415 5572 1 12 . 1 1 116 116 SER N N 116 127.333 127.333 117.840 9.493 19415 5573 1 12 . 1 1 116 116 SER HA H 116 4.066 4.066 4.392 -0.326 19415 5574 1 12 . 1 1 116 116 SER C C 116 174.522 174.522 175.316 -0.794 19415 5575 1 12 . 1 1 116 116 SER CA C 116 61.507 61.507 61.128 0.379 19415 5576 1 12 . 1 1 116 116 SER CB C 116 63.619 63.619 62.863 0.756 19415 5577 1 12 . 1 1 116 116 SER H H 116 9.064 9.064 8.478 0.586 19415 5578 1 12 . 1 1 117 117 THR N N 117 121.020 121.020 116.713 4.307 19415 5579 1 12 . 1 1 117 117 THR HA H 117 4.384 4.384 4.439 -0.055 19415 5580 1 12 . 1 1 117 117 THR C C 117 174.713 174.713 175.235 -0.522 19415 5581 1 12 . 1 1 117 117 THR CA C 117 65.378 65.378 64.603 0.775 19415 5582 1 12 . 1 1 117 117 THR CB C 117 69.656 69.656 69.440 0.216 19415 5583 1 12 . 1 1 117 117 THR H H 117 8.939 8.939 8.331 0.608 19415 5584 1 12 . 1 1 118 118 CYS N N 118 120.215 120.215 116.331 3.884 19415 5585 1 12 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.928 -0.580 19415 5586 1 12 . 1 1 118 118 CYS C C 118 176.041 176.041 174.118 1.923 19415 5587 1 12 . 1 1 118 118 CYS CA C 118 59.487 59.487 58.011 1.476 19415 5588 1 12 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.516 0.308 19415 5589 1 12 . 1 1 118 118 CYS H H 118 8.180 8.180 7.749 0.431 19415 5590 1 12 . 1 1 119 119 ARG N N 119 114.664 114.664 118.352 -3.688 19415 5591 1 12 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.086 0.025 19415 5592 1 12 . 1 1 119 119 ARG C C 119 174.910 174.910 174.809 0.101 19415 5593 1 12 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.430 1.143 19415 5594 1 12 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.458 -1.100 19415 5595 1 12 . 1 1 119 119 ARG H H 119 7.545 7.545 8.082 -0.537 19415 5596 1 12 . 1 1 120 120 ASN N N 120 118.962 118.962 118.693 0.269 19415 5597 1 12 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.567 0.185 19415 5598 1 12 . 1 1 120 120 ASN C C 120 175.950 175.950 175.281 0.669 19415 5599 1 12 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.028 0.476 19415 5600 1 12 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.362 -0.064 19415 5601 1 12 . 1 1 120 120 ASN H H 120 8.232 8.232 8.044 0.188 19415 5602 1 12 . 1 1 121 121 ARG N N 121 122.104 122.104 126.023 -3.919 19415 5603 1 12 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.479 -0.494 19415 5604 1 12 . 1 1 121 121 ARG C C 121 175.638 175.638 176.023 -0.385 19415 5605 1 12 . 1 1 121 121 ARG CA C 121 57.184 57.184 55.729 1.455 19415 5606 1 12 . 1 1 121 121 ARG CB C 121 30.567 30.567 29.782 0.785 19415 5607 1 12 . 1 1 121 121 ARG H H 121 8.603 8.603 8.531 0.071 19415 5608 1 12 . 1 1 122 122 LEU N N 122 127.225 127.225 126.972 0.253 19415 5609 1 12 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.218 0.311 19415 5610 1 12 . 1 1 122 122 LEU C C 122 175.345 175.345 174.962 0.383 19415 5611 1 12 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.461 -1.634 19415 5612 1 12 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.056 -0.484 19415 5613 1 12 . 1 1 122 122 LEU H H 122 8.094 8.094 7.916 0.178 19415 5614 1 12 . 1 1 123 123 VAL N N 123 121.030 121.030 121.361 -0.331 19415 5615 1 12 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.469 0.006 19415 5616 1 12 . 1 1 123 123 VAL C C 123 173.190 173.190 173.785 -0.595 19415 5617 1 12 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.997 0.034 19415 5618 1 12 . 1 1 123 123 VAL CB C 123 31.454 31.454 35.548 -4.094 19415 5619 1 12 . 1 1 123 123 VAL H H 123 8.416 8.416 8.070 0.346 19415 5620 1 12 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.387 -0.747 19415 5621 1 12 . 1 1 124 124 PRO C C 124 177.425 177.425 177.152 0.273 19415 5622 1 12 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.846 0.186 19415 5623 1 12 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.706 0.529 19415 5624 1 12 . 1 1 125 125 GLY N N 125 113.120 113.120 113.064 0.056 19415 5625 1 12 . 1 1 125 125 GLY C C 125 174.384 174.384 173.874 0.510 19415 5626 1 12 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.804 0.299 19415 5627 1 12 . 1 1 125 125 GLY H H 125 8.574 8.574 8.569 0.005 19415 5628 1 12 . 1 1 126 126 ASP N N 126 122.488 122.488 121.782 0.706 19415 5629 1 12 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.962 -0.239 19415 5630 1 12 . 1 1 126 126 ASP C C 126 176.558 176.558 174.780 1.778 19415 5631 1 12 . 1 1 126 126 ASP CA C 126 54.324 54.324 53.230 1.094 19415 5632 1 12 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.568 -1.966 19415 5633 1 12 . 1 1 126 126 ASP H H 126 8.476 8.476 8.133 0.343 19415 5634 1 12 . 1 1 127 127 ARG N N 127 122.074 122.074 118.830 3.244 19415 5635 1 12 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.010 0.037 19415 5636 1 12 . 1 1 127 127 ARG C C 127 175.671 175.671 175.692 -0.021 19415 5637 1 12 . 1 1 127 127 ARG CA C 127 55.559 55.559 55.843 -0.284 19415 5638 1 12 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.985 -1.123 19415 5639 1 12 . 1 1 127 127 ARG H H 127 8.697 8.697 8.841 -0.144 19415 5640 1 12 . 1 1 128 128 PHE N N 128 120.179 120.179 119.424 0.755 19415 5641 1 12 . 1 1 128 128 PHE HA H 128 5.194 5.194 5.005 0.189 19415 5642 1 12 . 1 1 128 128 PHE C C 128 171.304 171.304 172.759 -1.455 19415 5643 1 12 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.315 -0.888 19415 5644 1 12 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.302 1.211 19415 5645 1 12 . 1 1 128 128 PHE H H 128 8.869 8.869 9.099 -0.230 19415 5646 1 12 . 1 1 129 129 HIS N N 129 118.586 118.586 116.223 2.363 19415 5647 1 12 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.469 0.212 19415 5648 1 12 . 1 1 129 129 HIS C C 129 173.764 173.764 172.783 0.981 19415 5649 1 12 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.737 0.073 19415 5650 1 12 . 1 1 129 129 HIS CB C 129 34.983 34.983 34.796 0.187 19415 5651 1 12 . 1 1 129 129 HIS H H 129 9.292 9.292 8.884 0.408 19415 5652 1 12 . 1 1 130 130 TYR N N 130 125.995 125.995 126.613 -0.618 19415 5653 1 12 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.426 0.293 19415 5654 1 12 . 1 1 130 130 TYR C C 130 174.625 174.625 174.399 0.226 19415 5655 1 12 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.869 -0.687 19415 5656 1 12 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.340 0.938 19415 5657 1 12 . 1 1 130 130 TYR H H 130 8.865 8.865 8.603 0.262 19415 5658 1 12 . 1 1 131 131 ILE N N 131 126.610 126.610 128.964 -2.354 19415 5659 1 12 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.247 0.076 19415 5660 1 12 . 1 1 131 131 ILE C C 131 175.516 175.516 175.155 0.361 19415 5661 1 12 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.379 -0.652 19415 5662 1 12 . 1 1 131 131 ILE CB C 131 41.170 41.170 38.699 2.471 19415 5663 1 12 . 1 1 131 131 ILE H H 131 8.889 8.889 8.765 0.124 19415 5664 1 12 . 1 1 132 132 ASN N N 132 126.614 126.614 126.452 0.162 19415 5665 1 12 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.367 -0.006 19415 5666 1 12 . 1 1 132 132 ASN C C 132 175.421 175.421 174.767 0.654 19415 5667 1 12 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.726 0.207 19415 5668 1 12 . 1 1 132 132 ASN CB C 132 37.340 37.340 38.251 -0.911 19415 5669 1 12 . 1 1 132 132 ASN H H 132 9.375 9.375 9.170 0.205 19415 5670 1 12 . 1 1 133 133 GLY N N 133 102.667 102.667 103.212 -0.545 19415 5671 1 12 . 1 1 133 133 GLY C C 133 173.969 173.969 172.825 1.144 19415 5672 1 12 . 1 1 133 133 GLY CA C 133 45.395 45.395 44.502 0.893 19415 5673 1 12 . 1 1 133 133 GLY H H 133 7.417 7.417 7.621 -0.204 19415 5674 1 12 . 1 1 134 134 SER N N 134 117.123 117.123 114.280 2.843 19415 5675 1 12 . 1 1 134 134 SER HA H 134 4.743 4.743 4.531 0.212 19415 5676 1 12 . 1 1 134 134 SER C C 134 170.825 170.825 172.728 -1.903 19415 5677 1 12 . 1 1 134 134 SER CA C 134 57.754 57.754 57.153 0.601 19415 5678 1 12 . 1 1 134 134 SER CB C 134 66.060 66.060 65.901 0.159 19415 5679 1 12 . 1 1 134 134 SER H H 134 7.639 7.639 7.051 0.588 19415 5680 1 12 . 1 1 135 135 LEU N N 135 122.242 122.242 124.150 -1.908 19415 5681 1 12 . 1 1 135 135 LEU HA H 135 5.214 5.214 5.102 0.112 19415 5682 1 12 . 1 1 135 135 LEU C C 135 177.735 177.735 175.415 2.320 19415 5683 1 12 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.205 -0.776 19415 5684 1 12 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.711 1.974 19415 5685 1 12 . 1 1 135 135 LEU H H 135 8.236 8.236 8.580 -0.344 19415 5686 1 12 . 1 1 136 136 PHE N N 136 118.689 118.689 120.524 -1.835 19415 5687 1 12 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.028 0.962 19415 5688 1 12 . 1 1 136 136 PHE C C 136 175.971 175.971 175.080 0.891 19415 5689 1 12 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.517 0.387 19415 5690 1 12 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.303 1.026 19415 5691 1 12 . 1 1 136 136 PHE H H 136 9.221 9.221 9.014 0.207 19415 5692 1 12 . 1 1 137 137 CYS N N 137 121.328 121.328 118.450 2.878 19415 5693 1 12 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.112 -0.146 19415 5694 1 12 . 1 1 137 137 CYS C C 137 175.030 175.030 175.481 -0.451 19415 5695 1 12 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.091 1.462 19415 5696 1 12 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.044 -0.819 19415 5697 1 12 . 1 1 137 137 CYS H H 137 9.716 9.716 9.096 0.620 19415 5698 1 12 . 1 1 138 138 GLU N N 138 118.055 118.055 118.354 -0.299 19415 5699 1 12 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.144 -0.001 19415 5700 1 12 . 1 1 138 138 GLU C C 138 178.535 178.535 177.610 0.925 19415 5701 1 12 . 1 1 138 138 GLU CA C 138 59.569 59.569 58.419 1.150 19415 5702 1 12 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.637 0.258 19415 5703 1 12 . 1 1 138 138 GLU H H 138 8.476 8.476 8.804 -0.328 19415 5704 1 12 . 1 1 139 139 HIS N N 139 117.190 117.190 120.367 -3.177 19415 5705 1 12 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.505 -0.075 19415 5706 1 12 . 1 1 139 139 HIS C C 139 175.584 175.584 176.207 -0.623 19415 5707 1 12 . 1 1 139 139 HIS CA C 139 58.130 58.130 57.697 0.433 19415 5708 1 12 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.618 -1.672 19415 5709 1 12 . 1 1 139 139 HIS H H 139 8.365 8.365 7.983 0.382 19415 5710 1 12 . 1 1 140 140 ASP N N 140 118.373 118.373 117.270 1.103 19415 5711 1 12 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.505 0.451 19415 5712 1 12 . 1 1 140 140 ASP C C 140 174.258 174.258 175.502 -1.244 19415 5713 1 12 . 1 1 140 140 ASP CA C 140 54.319 54.319 53.224 1.095 19415 5714 1 12 . 1 1 140 140 ASP CB C 140 42.317 42.317 40.796 1.521 19415 5715 1 12 . 1 1 140 140 ASP H H 140 8.082 8.082 7.825 0.257 19415 5716 1 12 . 1 1 141 141 ARG N N 141 121.880 121.880 121.127 0.753 19415 5717 1 12 . 1 1 141 141 ARG HA H 141 3.616 3.616 4.021 -0.405 19415 5718 1 12 . 1 1 141 141 ARG C C 141 173.939 173.939 174.266 -0.327 19415 5719 1 12 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.804 -1.082 19415 5720 1 12 . 1 1 141 141 ARG CB C 141 29.423 29.423 30.170 -0.747 19415 5721 1 12 . 1 1 141 141 ARG H H 141 7.120 7.120 7.790 -0.670 19415 5722 1 12 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.409 -0.159 19415 5723 1 12 . 1 1 142 142 PRO C C 142 176.688 176.688 175.719 0.969 19415 5724 1 12 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.118 0.581 19415 5725 1 12 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.677 -0.428 19415 5726 1 12 . 1 1 143 143 THR N N 143 115.472 115.472 118.844 -3.372 19415 5727 1 12 . 1 1 143 143 THR HA H 143 3.924 3.924 4.059 -0.135 19415 5728 1 12 . 1 1 143 143 THR C C 143 174.890 174.890 176.077 -1.187 19415 5729 1 12 . 1 1 143 143 THR CA C 143 63.099 63.099 64.315 -1.216 19415 5730 1 12 . 1 1 143 143 THR CB C 143 69.197 69.197 68.657 0.539 19415 5731 1 12 . 1 1 143 143 THR H H 143 8.015 8.015 8.181 -0.166 19415 5732 1 12 . 1 1 144 144 ALA N N 144 124.502 124.502 123.484 1.018 19415 5733 1 12 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.146 0.054 19415 5734 1 12 . 1 1 144 144 ALA C C 144 177.656 177.656 178.458 -0.802 19415 5735 1 12 . 1 1 144 144 ALA CA C 144 52.807 52.807 54.008 -1.201 19415 5736 1 12 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.775 0.230 19415 5737 1 12 . 1 1 144 144 ALA H H 144 8.130 8.130 7.774 0.356 19415 5738 1 12 . 1 1 145 145 LEU N N 145 119.506 119.506 119.574 -0.068 19415 5739 1 12 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.364 -0.088 19415 5740 1 12 . 1 1 145 145 LEU C C 145 177.574 177.574 175.084 2.490 19415 5741 1 12 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.426 0.641 19415 5742 1 12 . 1 1 145 145 LEU CB C 145 42.231 42.231 41.341 0.890 19415 5743 1 12 . 1 1 145 145 LEU H H 145 7.897 7.897 7.837 0.060 19415 5744 1 12 . 1 1 146 146 ILE N N 146 120.683 120.683 122.261 -1.578 19415 5745 1 12 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.135 -0.080 19415 5746 1 12 . 1 1 146 146 ILE C C 146 176.259 176.259 174.915 1.344 19415 5747 1 12 . 1 1 146 146 ILE CA C 146 61.486 61.486 60.206 1.280 19415 5748 1 12 . 1 1 146 146 ILE CB C 146 38.629 38.629 40.401 -1.772 19415 5749 1 12 . 1 1 146 146 ILE H H 146 7.842 7.842 7.756 0.086 19415 5750 1 12 . 1 1 405 405 ALA N N 405 133.214 133.214 128.161 5.053 19415 5751 1 12 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.045 0.426 19415 5752 1 12 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.748 -0.930 19415 5753 1 12 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.495 -1.448 19415 5754 1 12 . 1 1 405 405 ALA H H 405 9.651 9.651 8.537 1.114 19415 5755 1 12 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.328 0.259 19415 5756 1 12 . 1 1 406 406 PRO C C 406 174.175 174.175 176.857 -2.682 19415 5757 1 12 . 1 1 406 406 PRO CA C 406 61.942 61.942 64.943 -3.001 19415 5758 1 12 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.121 0.868 19415 5759 1 12 . 1 1 407 407 PHE N N 407 113.077 113.077 111.915 1.162 19415 5760 1 12 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.595 -0.091 19415 5761 1 12 . 1 1 407 407 PHE C C 407 174.954 174.954 172.853 2.101 19415 5762 1 12 . 1 1 407 407 PHE CA C 407 57.263 57.263 56.292 0.971 19415 5763 1 12 . 1 1 407 407 PHE CB C 407 38.318 38.318 40.922 -2.604 19415 5764 1 12 . 1 1 407 407 PHE H H 407 7.899 7.899 7.780 0.119 19415 5765 1 12 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.925 -0.172 19415 5766 1 12 . 1 1 408 408 PRO C C 408 175.865 175.865 175.528 0.337 19415 5767 1 12 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.198 0.728 19415 5768 1 12 . 1 1 408 408 PRO CB C 408 33.457 33.457 32.302 1.155 19415 5769 1 12 . 1 1 409 409 GLU N N 409 119.349 119.349 123.792 -4.443 19415 5770 1 12 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.577 0.146 19415 5771 1 12 . 1 1 409 409 GLU C C 409 174.291 174.291 175.226 -0.935 19415 5772 1 12 . 1 1 409 409 GLU CA C 409 54.180 54.180 55.013 -0.833 19415 5773 1 12 . 1 1 409 409 GLU CB C 409 34.429 34.429 33.858 0.570 19415 5774 1 12 . 1 1 409 409 GLU H H 409 8.813 8.813 8.663 0.150 19415 5775 1 12 . 1 1 410 410 ALA N N 410 124.017 124.017 124.002 0.015 19415 5776 1 12 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.507 -0.176 19415 5777 1 12 . 1 1 410 410 ALA C C 410 178.181 178.181 176.916 1.265 19415 5778 1 12 . 1 1 410 410 ALA CA C 410 52.241 52.241 53.023 -0.782 19415 5779 1 12 . 1 1 410 410 ALA CB C 410 19.102 19.102 18.789 0.313 19415 5780 1 12 . 1 1 410 410 ALA H H 410 8.562 8.562 8.484 0.078 19415 5781 1 12 . 1 1 411 411 ALA N N 411 124.837 124.837 127.588 -2.751 19415 5782 1 12 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.308 -0.379 19415 5783 1 12 . 1 1 411 411 ALA C C 411 178.042 178.042 176.652 1.390 19415 5784 1 12 . 1 1 411 411 ALA CA C 411 54.247 54.247 53.612 0.635 19415 5785 1 12 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.247 -0.517 19415 5786 1 12 . 1 1 411 411 ALA H H 411 8.475 8.475 8.477 -0.002 19415 5787 1 12 . 1 1 412 412 LEU N N 412 119.893 119.893 120.792 -0.899 19415 5788 1 12 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.699 0.009 19415 5789 1 12 . 1 1 412 412 LEU C C 412 174.281 174.281 174.213 0.068 19415 5790 1 12 . 1 1 412 412 LEU CA C 412 52.130 52.130 52.280 -0.150 19415 5791 1 12 . 1 1 412 412 LEU CB C 412 42.645 42.645 44.265 -1.620 19415 5792 1 12 . 1 1 412 412 LEU H H 412 8.075 8.075 7.893 0.182 19415 5793 1 12 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.565 -0.112 19415 5794 1 12 . 1 1 413 413 PRO C C 413 177.094 177.094 176.126 0.968 19415 5795 1 12 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.872 0.129 19415 5796 1 12 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.103 0.076 19415 5797 1 12 . 1 1 414 414 THR N N 414 114.256 114.256 115.954 -1.698 19415 5798 1 12 . 1 1 414 414 THR HA H 414 4.294 4.294 4.572 -0.278 19415 5799 1 12 . 1 1 414 414 THR C C 414 174.480 174.480 174.381 0.099 19415 5800 1 12 . 1 1 414 414 THR CA C 414 61.757 61.757 60.708 1.049 19415 5801 1 12 . 1 1 414 414 THR CB C 414 69.712 69.712 71.581 -1.869 19415 5802 1 12 . 1 1 414 414 THR H H 414 8.177 8.177 7.951 0.226 19415 5803 1 12 . 1 1 415 415 SER N N 415 117.918 117.918 115.410 2.508 19415 5804 1 12 . 1 1 415 415 SER HA H 415 4.424 4.424 4.160 0.264 19415 5805 1 12 . 1 1 415 415 SER C C 415 173.689 173.689 173.755 -0.066 19415 5806 1 12 . 1 1 415 415 SER CA C 415 58.072 58.072 60.482 -2.410 19415 5807 1 12 . 1 1 415 415 SER CB C 415 63.852 63.852 62.474 1.379 19415 5808 1 12 . 1 1 415 415 SER H H 415 8.193 8.193 8.682 -0.489 19415 5809 1 12 . 1 1 416 416 HIS N N 416 121.537 121.537 122.631 -1.094 19415 5810 1 12 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.771 0.171 19415 5811 1 12 . 1 1 416 416 HIS C C 416 172.547 172.547 173.594 -1.047 19415 5812 1 12 . 1 1 416 416 HIS CA C 416 53.702 53.702 53.570 0.132 19415 5813 1 12 . 1 1 416 416 HIS CB C 416 29.462 29.462 31.144 -1.682 19415 5814 1 12 . 1 1 416 416 HIS H H 416 8.373 8.373 8.423 -0.050 19415 5815 1 12 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.405 0.016 19415 5816 1 12 . 1 1 417 417 PRO C C 417 176.060 176.060 177.092 -1.032 19415 5817 1 12 . 1 1 417 417 PRO CA C 417 63.448 63.448 63.407 0.041 19415 5818 1 12 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.150 0.009 19415 5819 1 12 . 1 1 902 902 GLY N N 902 108.524 108.524 109.494 -0.970 19415 5820 1 12 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.690 0.669 19415 5821 1 12 . 1 1 902 902 GLY H H 902 8.196 8.196 8.330 -0.134 19415 5822 1 12 . 1 1 903 903 SER N N 903 115.821 115.821 119.777 -3.956 19415 5823 1 12 . 1 1 903 903 SER HA H 903 4.403 4.403 4.676 -0.273 19415 5824 1 12 . 1 1 903 903 SER CA C 903 58.602 58.602 58.055 0.547 19415 5825 1 12 . 1 1 903 903 SER CB C 903 63.762 63.762 64.128 -0.366 19415 5826 1 12 . 1 1 903 903 SER H H 903 8.354 8.354 9.032 -0.678 19415 5827 1 12 . 1 1 904 904 GLY N N 904 110.847 110.847 110.382 0.465 19415 5828 1 12 . 1 1 904 904 GLY C C 904 174.889 174.889 173.690 1.199 19415 5829 1 12 . 1 1 904 904 GLY CA C 904 45.594 45.594 44.790 0.804 19415 5830 1 12 . 1 1 904 904 GLY H H 904 8.558 8.558 7.608 0.950 19415 5831 1 12 . 1 1 905 905 GLY N N 905 108.922 108.922 112.601 -3.679 19415 5832 1 12 . 1 1 905 905 GLY C C 905 174.452 174.452 174.692 -0.240 19415 5833 1 12 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.550 0.999 19415 5834 1 12 . 1 1 905 905 GLY H H 905 8.307 8.307 8.514 -0.207 19415 5835 1 12 . 1 1 906 906 SER N N 906 115.224 115.224 117.293 -2.069 19415 5836 1 12 . 1 1 906 906 SER HA H 906 4.552 4.552 4.639 -0.087 19415 5837 1 12 . 1 1 906 906 SER C C 906 175.108 175.108 174.129 0.979 19415 5838 1 12 . 1 1 906 906 SER CA C 906 58.647 58.647 58.646 0.001 19415 5839 1 12 . 1 1 906 906 SER CB C 906 64.091 64.091 64.724 -0.632 19415 5840 1 12 . 1 1 906 906 SER H H 906 8.362 8.362 7.907 0.456 19415 5841 1 12 . 1 1 907 907 GLY N N 907 110.875 110.875 109.802 1.073 19415 5842 1 12 . 1 1 907 907 GLY C C 907 173.335 173.335 173.841 -0.506 19415 5843 1 12 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.920 0.090 19415 5844 1 12 . 1 1 907 907 GLY H H 907 8.437 8.437 8.360 0.077 19415 5845 1 13 . 1 1 78 78 ILE N N 78 124.415 124.415 122.367 2.048 19415 5846 1 13 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.338 -0.296 19415 5847 1 13 . 1 1 78 78 ILE C C 78 175.260 175.260 175.709 -0.449 19415 5848 1 13 . 1 1 78 78 ILE CA C 78 60.727 60.727 60.406 0.322 19415 5849 1 13 . 1 1 78 78 ILE CB C 78 38.922 38.922 35.706 3.216 19415 5850 1 13 . 1 1 78 78 ILE H H 78 8.025 8.025 7.979 0.046 19415 5851 1 13 . 1 1 79 79 ARG N N 79 125.999 125.999 125.904 0.095 19415 5852 1 13 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.514 -0.299 19415 5853 1 13 . 1 1 79 79 ARG C C 79 175.494 175.494 175.158 0.336 19415 5854 1 13 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.626 0.230 19415 5855 1 13 . 1 1 79 79 ARG CB C 79 30.774 30.774 31.532 -0.758 19415 5856 1 13 . 1 1 79 79 ARG H H 79 8.249 8.249 8.508 -0.259 19415 5857 1 13 . 1 1 80 80 LEU N N 80 124.427 124.427 114.796 9.631 19415 5858 1 13 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.871 -0.579 19415 5859 1 13 . 1 1 80 80 LEU C C 80 176.785 176.785 175.685 1.100 19415 5860 1 13 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.834 0.986 19415 5861 1 13 . 1 1 80 80 LEU CB C 80 42.520 42.520 43.502 -0.982 19415 5862 1 13 . 1 1 80 80 LEU H H 80 8.190 8.190 7.520 0.670 19415 5863 1 13 . 1 1 81 81 PHE N N 81 120.462 120.462 121.961 -1.499 19415 5864 1 13 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.306 0.318 19415 5865 1 13 . 1 1 81 81 PHE C C 81 176.212 176.212 177.255 -1.043 19415 5866 1 13 . 1 1 81 81 PHE CA C 81 57.570 57.570 60.364 -2.793 19415 5867 1 13 . 1 1 81 81 PHE CB C 81 39.802 39.802 38.745 1.057 19415 5868 1 13 . 1 1 81 81 PHE H H 81 8.244 8.244 9.210 -0.966 19415 5869 1 13 . 1 1 82 82 GLY N N 82 110.003 110.003 105.128 4.875 19415 5870 1 13 . 1 1 82 82 GLY C C 82 173.730 173.730 173.533 0.197 19415 5871 1 13 . 1 1 82 82 GLY CA C 82 45.415 45.415 43.940 1.475 19415 5872 1 13 . 1 1 82 82 GLY H H 82 8.351 8.351 7.771 0.580 19415 5873 1 13 . 1 1 83 83 ASN N N 83 118.840 118.840 123.942 -5.102 19415 5874 1 13 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.568 0.226 19415 5875 1 13 . 1 1 83 83 ASN C C 83 175.312 175.312 174.731 0.581 19415 5876 1 13 . 1 1 83 83 ASN CA C 83 52.996 52.996 53.729 -0.733 19415 5877 1 13 . 1 1 83 83 ASN CB C 83 39.137 39.137 37.864 1.273 19415 5878 1 13 . 1 1 83 83 ASN H H 83 8.325 8.325 9.012 -0.687 19415 5879 1 13 . 1 1 84 84 SER N N 84 116.555 116.555 118.978 -2.423 19415 5880 1 13 . 1 1 84 84 SER CA C 84 58.823 58.823 58.646 0.177 19415 5881 1 13 . 1 1 84 84 SER CB C 84 63.887 63.887 65.199 -1.312 19415 5882 1 13 . 1 1 84 84 SER H H 84 8.463 8.463 8.595 -0.132 19415 5883 1 13 . 1 1 85 85 GLY N N 85 109.826 109.826 109.581 0.245 19415 5884 1 13 . 1 1 85 85 GLY C C 85 172.709 172.709 171.879 0.830 19415 5885 1 13 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.041 0.112 19415 5886 1 13 . 1 1 85 85 GLY H H 85 8.341 8.341 7.581 0.760 19415 5887 1 13 . 1 1 86 86 ALA N N 86 122.100 122.100 120.809 1.291 19415 5888 1 13 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.547 -0.100 19415 5889 1 13 . 1 1 86 86 ALA C C 86 175.383 175.383 175.267 0.116 19415 5890 1 13 . 1 1 86 86 ALA CA C 86 50.523 50.523 51.284 -0.761 19415 5891 1 13 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.189 -0.477 19415 5892 1 13 . 1 1 86 86 ALA H H 86 7.703 7.703 7.880 -0.177 19415 5893 1 13 . 1 1 87 87 CYS N N 87 121.922 121.922 119.545 2.377 19415 5894 1 13 . 1 1 87 87 CYS HA H 87 4.197 4.197 5.091 -0.894 19415 5895 1 13 . 1 1 87 87 CYS C C 87 178.454 178.454 175.879 2.575 19415 5896 1 13 . 1 1 87 87 CYS CA C 87 58.515 58.515 56.656 1.859 19415 5897 1 13 . 1 1 87 87 CYS CB C 87 31.600 31.600 29.263 2.337 19415 5898 1 13 . 1 1 87 87 CYS H H 87 7.968 7.968 8.791 -0.823 19415 5899 1 13 . 1 1 88 88 SER N N 88 126.804 126.804 120.092 6.712 19415 5900 1 13 . 1 1 88 88 SER HA H 88 4.174 4.174 4.496 -0.322 19415 5901 1 13 . 1 1 88 88 SER C C 88 173.647 173.647 174.329 -0.682 19415 5902 1 13 . 1 1 88 88 SER CA C 88 62.158 62.158 59.483 2.675 19415 5903 1 13 . 1 1 88 88 SER CB C 88 63.401 63.401 62.209 1.192 19415 5904 1 13 . 1 1 88 88 SER H H 88 9.202 9.202 8.418 0.784 19415 5905 1 13 . 1 1 89 89 ALA N N 89 123.763 123.763 123.397 0.366 19415 5906 1 13 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.663 0.173 19415 5907 1 13 . 1 1 89 89 ALA C C 89 178.007 178.007 178.110 -0.103 19415 5908 1 13 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.859 0.073 19415 5909 1 13 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.784 1.461 19415 5910 1 13 . 1 1 89 89 ALA H H 89 8.964 8.964 7.745 1.219 19415 5911 1 13 . 1 1 90 90 CYS N N 90 115.099 115.099 114.611 0.488 19415 5912 1 13 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.657 0.375 19415 5913 1 13 . 1 1 90 90 CYS C C 90 177.164 177.164 176.383 0.781 19415 5914 1 13 . 1 1 90 90 CYS CA C 90 58.754 58.754 59.161 -0.407 19415 5915 1 13 . 1 1 90 90 CYS CB C 90 31.688 31.688 28.441 3.247 19415 5916 1 13 . 1 1 90 90 CYS H H 90 8.078 8.078 7.844 0.234 19415 5917 1 13 . 1 1 91 91 GLY N N 91 112.869 112.869 108.210 4.659 19415 5918 1 13 . 1 1 91 91 GLY C C 91 173.725 173.725 173.873 -0.148 19415 5919 1 13 . 1 1 91 91 GLY CA C 91 46.303 46.303 44.608 1.695 19415 5920 1 13 . 1 1 91 91 GLY H H 91 7.996 7.996 8.262 -0.266 19415 5921 1 13 . 1 1 92 92 GLN N N 92 119.848 119.848 121.838 -1.990 19415 5922 1 13 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.351 0.224 19415 5923 1 13 . 1 1 92 92 GLN C C 92 176.015 176.015 175.776 0.239 19415 5924 1 13 . 1 1 92 92 GLN CA C 92 54.954 54.954 54.688 0.266 19415 5925 1 13 . 1 1 92 92 GLN CB C 92 30.026 30.026 29.158 0.868 19415 5926 1 13 . 1 1 92 92 GLN H H 92 8.341 8.341 7.826 0.515 19415 5927 1 13 . 1 1 93 93 SER N N 93 116.734 116.734 120.464 -3.730 19415 5928 1 13 . 1 1 93 93 SER C C 93 173.776 173.776 174.319 -0.543 19415 5929 1 13 . 1 1 93 93 SER CA C 93 59.491 59.491 58.502 0.989 19415 5930 1 13 . 1 1 93 93 SER CB C 93 63.707 63.707 63.121 0.586 19415 5931 1 13 . 1 1 93 93 SER H H 93 8.656 8.656 8.451 0.205 19415 5932 1 13 . 1 1 94 94 ILE N N 94 126.045 126.045 127.086 -1.041 19415 5933 1 13 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.287 0.055 19415 5934 1 13 . 1 1 94 94 ILE CA C 94 58.525 58.525 60.038 -1.513 19415 5935 1 13 . 1 1 94 94 ILE CB C 94 39.907 39.907 37.308 2.599 19415 5936 1 13 . 1 1 94 94 ILE H H 94 8.281 8.281 8.120 0.161 19415 5937 1 13 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.571 -0.098 19415 5938 1 13 . 1 1 95 95 PRO C C 95 176.605 176.605 177.772 -1.167 19415 5939 1 13 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.145 0.708 19415 5940 1 13 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.142 0.649 19415 5941 1 13 . 1 1 96 96 ALA N N 96 122.591 122.591 122.624 -0.033 19415 5942 1 13 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.175 -0.175 19415 5943 1 13 . 1 1 96 96 ALA C C 96 177.763 177.763 177.006 0.757 19415 5944 1 13 . 1 1 96 96 ALA CA C 96 54.605 54.605 54.061 0.544 19415 5945 1 13 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.245 0.861 19415 5946 1 13 . 1 1 96 96 ALA H H 96 8.400 8.400 8.627 -0.227 19415 5947 1 13 . 1 1 97 97 SER N N 97 107.288 107.288 111.473 -4.185 19415 5948 1 13 . 1 1 97 97 SER HA H 97 4.270 4.270 4.645 -0.375 19415 5949 1 13 . 1 1 97 97 SER C C 97 174.625 174.625 173.823 0.802 19415 5950 1 13 . 1 1 97 97 SER CA C 97 58.532 58.532 57.842 0.690 19415 5951 1 13 . 1 1 97 97 SER CB C 97 63.538 63.538 63.461 0.077 19415 5952 1 13 . 1 1 97 97 SER H H 97 7.796 7.796 7.813 -0.017 19415 5953 1 13 . 1 1 98 98 GLU N N 98 124.231 124.231 122.933 1.298 19415 5954 1 13 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.546 -0.289 19415 5955 1 13 . 1 1 98 98 GLU C C 98 175.476 175.476 174.347 1.129 19415 5956 1 13 . 1 1 98 98 GLU CA C 98 56.521 56.521 56.043 0.478 19415 5957 1 13 . 1 1 98 98 GLU CB C 98 31.081 31.081 31.775 -0.694 19415 5958 1 13 . 1 1 98 98 GLU H H 98 7.649 7.649 7.615 0.034 19415 5959 1 13 . 1 1 99 99 LEU N N 99 122.696 122.696 124.510 -1.814 19415 5960 1 13 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.716 -0.211 19415 5961 1 13 . 1 1 99 99 LEU C C 99 176.253 176.253 175.703 0.550 19415 5962 1 13 . 1 1 99 99 LEU CA C 99 54.635 54.635 53.845 0.790 19415 5963 1 13 . 1 1 99 99 LEU CB C 99 42.967 42.967 44.531 -1.564 19415 5964 1 13 . 1 1 99 99 LEU H H 99 8.250 8.250 8.563 -0.313 19415 5965 1 13 . 1 1 100 100 VAL N N 100 112.933 112.933 118.322 -5.389 19415 5966 1 13 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.626 0.277 19415 5967 1 13 . 1 1 100 100 VAL C C 100 175.544 175.544 174.605 0.939 19415 5968 1 13 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.474 -0.727 19415 5969 1 13 . 1 1 100 100 VAL CB C 100 35.898 35.898 33.952 1.946 19415 5970 1 13 . 1 1 100 100 VAL H H 100 8.934 8.934 9.120 -0.186 19415 5971 1 13 . 1 1 101 101 MET N N 101 116.964 116.964 123.865 -6.901 19415 5972 1 13 . 1 1 101 101 MET HA H 101 4.676 4.676 4.585 0.091 19415 5973 1 13 . 1 1 101 101 MET C C 101 175.197 175.197 174.933 0.264 19415 5974 1 13 . 1 1 101 101 MET CA C 101 52.397 52.397 54.446 -2.049 19415 5975 1 13 . 1 1 101 101 MET CB C 101 34.490 34.490 33.299 1.191 19415 5976 1 13 . 1 1 101 101 MET H H 101 8.299 8.299 8.908 -0.609 19415 5977 1 13 . 1 1 102 102 ARG N N 102 122.278 122.278 125.313 -3.035 19415 5978 1 13 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.497 0.657 19415 5979 1 13 . 1 1 102 102 ARG C C 102 175.008 175.008 175.432 -0.424 19415 5980 1 13 . 1 1 102 102 ARG CA C 102 54.850 54.850 54.985 -0.135 19415 5981 1 13 . 1 1 102 102 ARG CB C 102 32.335 32.335 29.147 3.188 19415 5982 1 13 . 1 1 102 102 ARG H H 102 8.112 8.112 8.442 -0.330 19415 5983 1 13 . 1 1 103 103 ALA N N 103 123.373 123.373 127.258 -3.885 19415 5984 1 13 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.257 0.342 19415 5985 1 13 . 1 1 103 103 ALA C C 103 176.137 176.137 177.592 -1.455 19415 5986 1 13 . 1 1 103 103 ALA CA C 103 52.049 52.049 53.358 -1.309 19415 5987 1 13 . 1 1 103 103 ALA CB C 103 21.835 21.835 19.669 2.166 19415 5988 1 13 . 1 1 103 103 ALA H H 103 8.129 8.129 8.505 -0.376 19415 5989 1 13 . 1 1 104 104 GLN N N 104 120.352 120.352 115.871 4.481 19415 5990 1 13 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.515 -0.713 19415 5991 1 13 . 1 1 104 104 GLN C C 104 175.032 175.032 176.291 -1.259 19415 5992 1 13 . 1 1 104 104 GLN CA C 104 56.385 56.385 55.386 0.999 19415 5993 1 13 . 1 1 104 104 GLN CB C 104 25.801 25.801 30.430 -4.629 19415 5994 1 13 . 1 1 104 104 GLN H H 104 9.312 9.312 7.658 1.654 19415 5995 1 13 . 1 1 105 105 GLY N N 105 105.580 105.580 107.884 -2.304 19415 5996 1 13 . 1 1 105 105 GLY C C 105 173.414 173.414 173.885 -0.471 19415 5997 1 13 . 1 1 105 105 GLY CA C 105 45.475 45.475 44.831 0.644 19415 5998 1 13 . 1 1 105 105 GLY H H 105 8.493 8.493 8.510 -0.017 19415 5999 1 13 . 1 1 106 106 ASN N N 106 120.347 120.347 118.389 1.958 19415 6000 1 13 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.737 0.083 19415 6001 1 13 . 1 1 106 106 ASN C C 106 174.060 174.060 173.568 0.492 19415 6002 1 13 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.212 -0.435 19415 6003 1 13 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.854 0.750 19415 6004 1 13 . 1 1 106 106 ASN H H 106 8.085 8.085 7.543 0.542 19415 6005 1 13 . 1 1 107 107 VAL N N 107 118.992 118.992 118.868 0.124 19415 6006 1 13 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.351 0.423 19415 6007 1 13 . 1 1 107 107 VAL C C 107 173.066 173.066 173.809 -0.743 19415 6008 1 13 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.471 0.105 19415 6009 1 13 . 1 1 107 107 VAL CB C 107 34.475 34.475 32.895 1.580 19415 6010 1 13 . 1 1 107 107 VAL H H 107 8.207 8.207 8.162 0.045 19415 6011 1 13 . 1 1 108 108 TYR N N 108 121.397 121.397 120.853 0.544 19415 6012 1 13 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.770 1.160 19415 6013 1 13 . 1 1 108 108 TYR C C 108 177.709 177.709 175.169 2.540 19415 6014 1 13 . 1 1 108 108 TYR CA C 108 56.002 56.002 55.998 0.004 19415 6015 1 13 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.509 0.429 19415 6016 1 13 . 1 1 108 108 TYR H H 108 8.681 8.681 7.971 0.710 19415 6017 1 13 . 1 1 109 109 HIS N N 109 120.399 120.399 118.739 1.660 19415 6018 1 13 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.643 0.114 19415 6019 1 13 . 1 1 109 109 HIS C C 109 178.297 178.297 176.124 2.173 19415 6020 1 13 . 1 1 109 109 HIS CA C 109 59.269 59.269 56.813 2.456 19415 6021 1 13 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.441 -0.002 19415 6022 1 13 . 1 1 109 109 HIS H H 109 8.681 8.681 8.878 -0.197 19415 6023 1 13 . 1 1 110 110 LEU N N 110 124.629 124.629 120.396 4.233 19415 6024 1 13 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.134 -0.252 19415 6025 1 13 . 1 1 110 110 LEU C C 110 180.956 180.956 177.868 3.088 19415 6026 1 13 . 1 1 110 110 LEU CA C 110 60.072 60.072 57.690 2.382 19415 6027 1 13 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.459 -1.977 19415 6028 1 13 . 1 1 110 110 LEU H H 110 8.924 8.924 8.370 0.554 19415 6029 1 13 . 1 1 111 111 LYS N N 111 112.542 112.542 116.722 -4.180 19415 6030 1 13 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.254 -0.258 19415 6031 1 13 . 1 1 111 111 LYS C C 111 176.711 176.711 176.764 -0.053 19415 6032 1 13 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.506 -0.569 19415 6033 1 13 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.690 0.019 19415 6034 1 13 . 1 1 111 111 LYS H H 111 8.586 8.586 8.340 0.246 19415 6035 1 13 . 1 1 112 112 CYS N N 112 117.897 117.897 116.238 1.659 19415 6036 1 13 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.824 -0.432 19415 6037 1 13 . 1 1 112 112 CYS C C 112 173.923 173.923 175.220 -1.297 19415 6038 1 13 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.470 1.785 19415 6039 1 13 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.610 4.824 19415 6040 1 13 . 1 1 112 112 CYS H H 112 7.439 7.439 7.939 -0.500 19415 6041 1 13 . 1 1 113 113 PHE N N 113 126.150 126.150 125.268 0.882 19415 6042 1 13 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.550 -0.469 19415 6043 1 13 . 1 1 113 113 PHE C C 113 172.777 172.777 173.865 -1.088 19415 6044 1 13 . 1 1 113 113 PHE CA C 113 57.131 57.131 55.194 1.937 19415 6045 1 13 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.428 -0.619 19415 6046 1 13 . 1 1 113 113 PHE H H 113 7.467 7.467 8.158 -0.691 19415 6047 1 13 . 1 1 114 114 THR N N 114 112.302 112.302 112.951 -0.649 19415 6048 1 13 . 1 1 114 114 THR HA H 114 4.577 4.577 4.937 -0.360 19415 6049 1 13 . 1 1 114 114 THR C C 114 172.592 172.592 174.222 -1.630 19415 6050 1 13 . 1 1 114 114 THR CA C 114 57.922 57.922 59.573 -1.651 19415 6051 1 13 . 1 1 114 114 THR CB C 114 72.187 72.187 71.733 0.454 19415 6052 1 13 . 1 1 114 114 THR H H 114 6.895 6.895 7.697 -0.802 19415 6053 1 13 . 1 1 115 115 CYS N N 115 121.388 121.388 118.571 2.817 19415 6054 1 13 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.435 -0.645 19415 6055 1 13 . 1 1 115 115 CYS C C 115 177.309 177.309 176.094 1.215 19415 6056 1 13 . 1 1 115 115 CYS CA C 115 59.284 59.284 57.863 1.421 19415 6057 1 13 . 1 1 115 115 CYS CB C 115 31.621 31.621 29.042 2.579 19415 6058 1 13 . 1 1 115 115 CYS H H 115 7.981 7.981 8.351 -0.370 19415 6059 1 13 . 1 1 116 116 SER N N 116 127.333 127.333 117.549 9.784 19415 6060 1 13 . 1 1 116 116 SER HA H 116 4.066 4.066 4.553 -0.486 19415 6061 1 13 . 1 1 116 116 SER C C 116 174.522 174.522 174.927 -0.405 19415 6062 1 13 . 1 1 116 116 SER CA C 116 61.507 61.507 60.001 1.506 19415 6063 1 13 . 1 1 116 116 SER CB C 116 63.619 63.619 62.617 1.002 19415 6064 1 13 . 1 1 116 116 SER H H 116 9.064 9.064 8.672 0.392 19415 6065 1 13 . 1 1 117 117 THR N N 117 121.020 121.020 114.631 6.389 19415 6066 1 13 . 1 1 117 117 THR HA H 117 4.384 4.384 4.525 -0.141 19415 6067 1 13 . 1 1 117 117 THR C C 117 174.713 174.713 175.409 -0.696 19415 6068 1 13 . 1 1 117 117 THR CA C 117 65.378 65.378 63.863 1.515 19415 6069 1 13 . 1 1 117 117 THR CB C 117 69.656 69.656 70.006 -0.350 19415 6070 1 13 . 1 1 117 117 THR H H 117 8.939 8.939 8.162 0.777 19415 6071 1 13 . 1 1 118 118 CYS N N 118 120.215 120.215 117.366 2.849 19415 6072 1 13 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.926 -0.578 19415 6073 1 13 . 1 1 118 118 CYS C C 118 176.041 176.041 174.215 1.826 19415 6074 1 13 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.889 1.598 19415 6075 1 13 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.112 0.712 19415 6076 1 13 . 1 1 118 118 CYS H H 118 8.180 8.180 7.932 0.248 19415 6077 1 13 . 1 1 119 119 ARG N N 119 114.664 114.664 118.849 -4.185 19415 6078 1 13 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.050 0.061 19415 6079 1 13 . 1 1 119 119 ARG C C 119 174.910 174.910 174.676 0.234 19415 6080 1 13 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.525 1.048 19415 6081 1 13 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.924 -1.566 19415 6082 1 13 . 1 1 119 119 ARG H H 119 7.545 7.545 8.072 -0.527 19415 6083 1 13 . 1 1 120 120 ASN N N 120 118.962 118.962 118.545 0.417 19415 6084 1 13 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.644 0.108 19415 6085 1 13 . 1 1 120 120 ASN C C 120 175.950 175.950 175.048 0.902 19415 6086 1 13 . 1 1 120 120 ASN CA C 120 53.504 53.504 52.847 0.657 19415 6087 1 13 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.438 -0.140 19415 6088 1 13 . 1 1 120 120 ASN H H 120 8.232 8.232 8.016 0.216 19415 6089 1 13 . 1 1 121 121 ARG N N 121 122.104 122.104 126.555 -4.451 19415 6090 1 13 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.440 -0.455 19415 6091 1 13 . 1 1 121 121 ARG C C 121 175.638 175.638 176.133 -0.495 19415 6092 1 13 . 1 1 121 121 ARG CA C 121 57.184 57.184 55.917 1.266 19415 6093 1 13 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.549 0.018 19415 6094 1 13 . 1 1 121 121 ARG H H 121 8.603 8.603 8.654 -0.051 19415 6095 1 13 . 1 1 122 122 LEU N N 122 127.225 127.225 127.601 -0.376 19415 6096 1 13 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.321 0.208 19415 6097 1 13 . 1 1 122 122 LEU C C 122 175.345 175.345 176.045 -0.700 19415 6098 1 13 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.292 -1.465 19415 6099 1 13 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.643 -1.071 19415 6100 1 13 . 1 1 122 122 LEU H H 122 8.094 8.094 8.342 -0.248 19415 6101 1 13 . 1 1 123 123 VAL N N 123 121.030 121.030 120.100 0.930 19415 6102 1 13 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.550 -0.075 19415 6103 1 13 . 1 1 123 123 VAL C C 123 173.190 173.190 173.715 -0.525 19415 6104 1 13 . 1 1 123 123 VAL CA C 123 59.031 59.031 59.298 -0.267 19415 6105 1 13 . 1 1 123 123 VAL CB C 123 31.454 31.454 34.674 -3.220 19415 6106 1 13 . 1 1 123 123 VAL H H 123 8.416 8.416 8.434 -0.018 19415 6107 1 13 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.306 -0.666 19415 6108 1 13 . 1 1 124 124 PRO C C 124 177.425 177.425 177.230 0.195 19415 6109 1 13 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.048 0.984 19415 6110 1 13 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.231 1.004 19415 6111 1 13 . 1 1 125 125 GLY N N 125 113.120 113.120 114.271 -1.151 19415 6112 1 13 . 1 1 125 125 GLY C C 125 174.384 174.384 173.876 0.508 19415 6113 1 13 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.989 0.114 19415 6114 1 13 . 1 1 125 125 GLY H H 125 8.574 8.574 8.242 0.332 19415 6115 1 13 . 1 1 126 126 ASP N N 126 122.488 122.488 121.427 1.061 19415 6116 1 13 . 1 1 126 126 ASP HA H 126 4.723 4.723 5.017 -0.294 19415 6117 1 13 . 1 1 126 126 ASP C C 126 176.558 176.558 174.747 1.811 19415 6118 1 13 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.601 1.723 19415 6119 1 13 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.509 -1.907 19415 6120 1 13 . 1 1 126 126 ASP H H 126 8.476 8.476 8.139 0.337 19415 6121 1 13 . 1 1 127 127 ARG N N 127 122.074 122.074 117.747 4.327 19415 6122 1 13 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.479 -0.432 19415 6123 1 13 . 1 1 127 127 ARG C C 127 175.671 175.671 176.199 -0.528 19415 6124 1 13 . 1 1 127 127 ARG CA C 127 55.559 55.559 56.187 -0.628 19415 6125 1 13 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.388 -0.526 19415 6126 1 13 . 1 1 127 127 ARG H H 127 8.697 8.697 8.456 0.241 19415 6127 1 13 . 1 1 128 128 PHE N N 128 120.179 120.179 119.910 0.269 19415 6128 1 13 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.906 0.288 19415 6129 1 13 . 1 1 128 128 PHE C C 128 171.304 171.304 172.631 -1.327 19415 6130 1 13 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.294 -0.867 19415 6131 1 13 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.348 1.165 19415 6132 1 13 . 1 1 128 128 PHE H H 128 8.869 8.869 9.179 -0.310 19415 6133 1 13 . 1 1 129 129 HIS N N 129 118.586 118.586 119.034 -0.448 19415 6134 1 13 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.584 0.097 19415 6135 1 13 . 1 1 129 129 HIS C C 129 173.764 173.764 173.098 0.666 19415 6136 1 13 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.746 0.064 19415 6137 1 13 . 1 1 129 129 HIS CB C 129 34.983 34.983 33.852 1.131 19415 6138 1 13 . 1 1 129 129 HIS H H 129 9.292 9.292 8.696 0.596 19415 6139 1 13 . 1 1 130 130 TYR N N 130 125.995 125.995 128.137 -2.142 19415 6140 1 13 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.390 0.329 19415 6141 1 13 . 1 1 130 130 TYR C C 130 174.625 174.625 174.222 0.403 19415 6142 1 13 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.997 -0.815 19415 6143 1 13 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.272 1.007 19415 6144 1 13 . 1 1 130 130 TYR H H 130 8.865 8.865 8.506 0.359 19415 6145 1 13 . 1 1 131 131 ILE N N 131 126.610 126.610 126.741 -0.131 19415 6146 1 13 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.297 0.026 19415 6147 1 13 . 1 1 131 131 ILE C C 131 175.516 175.516 175.512 0.004 19415 6148 1 13 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.575 -0.848 19415 6149 1 13 . 1 1 131 131 ILE CB C 131 41.170 41.170 40.772 0.398 19415 6150 1 13 . 1 1 131 131 ILE H H 131 8.889 8.889 8.498 0.391 19415 6151 1 13 . 1 1 132 132 ASN N N 132 126.614 126.614 124.338 2.276 19415 6152 1 13 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.437 -0.076 19415 6153 1 13 . 1 1 132 132 ASN C C 132 175.421 175.421 175.525 -0.104 19415 6154 1 13 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.606 0.327 19415 6155 1 13 . 1 1 132 132 ASN CB C 132 37.340 37.340 38.508 -1.168 19415 6156 1 13 . 1 1 132 132 ASN H H 132 9.375 9.375 9.277 0.097 19415 6157 1 13 . 1 1 133 133 GLY N N 133 102.667 102.667 103.032 -0.365 19415 6158 1 13 . 1 1 133 133 GLY C C 133 173.969 173.969 173.009 0.960 19415 6159 1 13 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.174 0.221 19415 6160 1 13 . 1 1 133 133 GLY H H 133 7.417 7.417 8.309 -0.892 19415 6161 1 13 . 1 1 134 134 SER N N 134 117.123 117.123 113.948 3.175 19415 6162 1 13 . 1 1 134 134 SER HA H 134 4.743 4.743 4.430 0.313 19415 6163 1 13 . 1 1 134 134 SER C C 134 170.825 170.825 172.255 -1.430 19415 6164 1 13 . 1 1 134 134 SER CA C 134 57.754 57.754 57.139 0.615 19415 6165 1 13 . 1 1 134 134 SER CB C 134 66.060 66.060 66.178 -0.118 19415 6166 1 13 . 1 1 134 134 SER H H 134 7.639 7.639 6.701 0.938 19415 6167 1 13 . 1 1 135 135 LEU N N 135 122.242 122.242 123.255 -1.013 19415 6168 1 13 . 1 1 135 135 LEU HA H 135 5.214 5.214 5.083 0.131 19415 6169 1 13 . 1 1 135 135 LEU C C 135 177.735 177.735 175.597 2.138 19415 6170 1 13 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.144 -0.715 19415 6171 1 13 . 1 1 135 135 LEU CB C 135 44.685 44.685 43.069 1.616 19415 6172 1 13 . 1 1 135 135 LEU H H 135 8.236 8.236 7.726 0.510 19415 6173 1 13 . 1 1 136 136 PHE N N 136 118.689 118.689 120.151 -1.462 19415 6174 1 13 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.069 0.921 19415 6175 1 13 . 1 1 136 136 PHE C C 136 175.971 175.971 175.168 0.803 19415 6176 1 13 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.384 0.520 19415 6177 1 13 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.132 1.197 19415 6178 1 13 . 1 1 136 136 PHE H H 136 9.221 9.221 9.123 0.098 19415 6179 1 13 . 1 1 137 137 CYS N N 137 121.328 121.328 117.638 3.690 19415 6180 1 13 . 1 1 137 137 CYS HA H 137 4.966 4.966 4.993 -0.027 19415 6181 1 13 . 1 1 137 137 CYS C C 137 175.030 175.030 175.629 -0.599 19415 6182 1 13 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.279 1.274 19415 6183 1 13 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.188 -0.963 19415 6184 1 13 . 1 1 137 137 CYS H H 137 9.716 9.716 8.768 0.948 19415 6185 1 13 . 1 1 138 138 GLU N N 138 118.055 118.055 121.537 -3.482 19415 6186 1 13 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.122 0.021 19415 6187 1 13 . 1 1 138 138 GLU C C 138 178.535 178.535 176.264 2.271 19415 6188 1 13 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.402 0.167 19415 6189 1 13 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.280 0.615 19415 6190 1 13 . 1 1 138 138 GLU H H 138 8.476 8.476 9.056 -0.580 19415 6191 1 13 . 1 1 139 139 HIS N N 139 117.190 117.190 118.034 -0.844 19415 6192 1 13 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.541 -0.111 19415 6193 1 13 . 1 1 139 139 HIS C C 139 175.584 175.584 175.878 -0.294 19415 6194 1 13 . 1 1 139 139 HIS CA C 139 58.130 58.130 57.156 0.974 19415 6195 1 13 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.028 -1.082 19415 6196 1 13 . 1 1 139 139 HIS H H 139 8.365 8.365 7.843 0.522 19415 6197 1 13 . 1 1 140 140 ASP N N 140 118.373 118.373 119.404 -1.031 19415 6198 1 13 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.310 0.646 19415 6199 1 13 . 1 1 140 140 ASP C C 140 174.258 174.258 176.608 -2.350 19415 6200 1 13 . 1 1 140 140 ASP CA C 140 54.319 54.319 56.636 -2.317 19415 6201 1 13 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.406 0.911 19415 6202 1 13 . 1 1 140 140 ASP H H 140 8.082 8.082 7.884 0.198 19415 6203 1 13 . 1 1 141 141 ARG N N 141 121.880 121.880 117.685 4.195 19415 6204 1 13 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.582 0.034 19415 6205 1 13 . 1 1 141 141 ARG C C 141 173.939 173.939 173.707 0.232 19415 6206 1 13 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.455 -0.733 19415 6207 1 13 . 1 1 141 141 ARG CB C 141 29.423 29.423 28.274 1.149 19415 6208 1 13 . 1 1 141 141 ARG H H 141 7.120 7.120 7.666 -0.546 19415 6209 1 13 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.047 0.203 19415 6210 1 13 . 1 1 142 142 PRO C C 142 176.688 176.688 176.279 0.409 19415 6211 1 13 . 1 1 142 142 PRO CA C 142 62.699 62.699 63.031 -0.332 19415 6212 1 13 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.538 -0.289 19415 6213 1 13 . 1 1 143 143 THR N N 143 115.472 115.472 116.105 -0.633 19415 6214 1 13 . 1 1 143 143 THR HA H 143 3.924 3.924 4.339 -0.415 19415 6215 1 13 . 1 1 143 143 THR C C 143 174.890 174.890 174.800 0.090 19415 6216 1 13 . 1 1 143 143 THR CA C 143 63.099 63.099 62.559 0.540 19415 6217 1 13 . 1 1 143 143 THR CB C 143 69.197 69.197 68.623 0.574 19415 6218 1 13 . 1 1 143 143 THR H H 143 8.015 8.015 8.037 -0.022 19415 6219 1 13 . 1 1 144 144 ALA N N 144 124.502 124.502 123.283 1.219 19415 6220 1 13 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.413 -0.213 19415 6221 1 13 . 1 1 144 144 ALA C C 144 177.656 177.656 177.358 0.298 19415 6222 1 13 . 1 1 144 144 ALA CA C 144 52.807 52.807 52.619 0.188 19415 6223 1 13 . 1 1 144 144 ALA CB C 144 19.005 19.005 19.474 -0.469 19415 6224 1 13 . 1 1 144 144 ALA H H 144 8.130 8.130 7.649 0.481 19415 6225 1 13 . 1 1 145 145 LEU N N 145 119.506 119.506 121.760 -2.254 19415 6226 1 13 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.490 -0.214 19415 6227 1 13 . 1 1 145 145 LEU C C 145 177.574 177.574 174.995 2.579 19415 6228 1 13 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.679 0.388 19415 6229 1 13 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.912 -0.681 19415 6230 1 13 . 1 1 145 145 LEU H H 145 7.897 7.897 7.970 -0.073 19415 6231 1 13 . 1 1 146 146 ILE N N 146 120.683 120.683 119.723 0.960 19415 6232 1 13 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.331 -0.276 19415 6233 1 13 . 1 1 146 146 ILE C C 146 176.259 176.259 174.349 1.910 19415 6234 1 13 . 1 1 146 146 ILE CA C 146 61.486 61.486 58.970 2.516 19415 6235 1 13 . 1 1 146 146 ILE CB C 146 38.629 38.629 40.399 -1.770 19415 6236 1 13 . 1 1 146 146 ILE H H 146 7.842 7.842 8.020 -0.178 19415 6237 1 13 . 1 1 405 405 ALA N N 405 133.214 133.214 129.209 4.005 19415 6238 1 13 . 1 1 405 405 ALA HA H 405 4.471 4.471 3.730 0.741 19415 6239 1 13 . 1 1 405 405 ALA CA C 405 50.818 50.818 50.967 -0.149 19415 6240 1 13 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.631 -1.584 19415 6241 1 13 . 1 1 405 405 ALA H H 405 9.651 9.651 8.669 0.982 19415 6242 1 13 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.358 0.229 19415 6243 1 13 . 1 1 406 406 PRO C C 406 174.175 174.175 175.932 -1.757 19415 6244 1 13 . 1 1 406 406 PRO CA C 406 61.942 61.942 63.032 -1.090 19415 6245 1 13 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.220 0.769 19415 6246 1 13 . 1 1 407 407 PHE N N 407 113.077 113.077 120.250 -7.173 19415 6247 1 13 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.569 -0.065 19415 6248 1 13 . 1 1 407 407 PHE C C 407 174.954 174.954 174.131 0.823 19415 6249 1 13 . 1 1 407 407 PHE CA C 407 57.263 57.263 56.486 0.777 19415 6250 1 13 . 1 1 407 407 PHE CB C 407 38.318 38.318 39.452 -1.134 19415 6251 1 13 . 1 1 407 407 PHE H H 407 7.899 7.899 8.509 -0.610 19415 6252 1 13 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.463 0.290 19415 6253 1 13 . 1 1 408 408 PRO C C 408 175.865 175.865 175.350 0.515 19415 6254 1 13 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.560 0.366 19415 6255 1 13 . 1 1 408 408 PRO CB C 408 33.457 33.457 32.233 1.224 19415 6256 1 13 . 1 1 409 409 GLU N N 409 119.349 119.349 122.454 -3.105 19415 6257 1 13 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.602 0.121 19415 6258 1 13 . 1 1 409 409 GLU C C 409 174.291 174.291 174.632 -0.341 19415 6259 1 13 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.235 -0.055 19415 6260 1 13 . 1 1 409 409 GLU CB C 409 34.429 34.429 32.459 1.970 19415 6261 1 13 . 1 1 409 409 GLU H H 409 8.813 8.813 9.000 -0.187 19415 6262 1 13 . 1 1 410 410 ALA N N 410 124.017 124.017 122.160 1.857 19415 6263 1 13 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.590 -0.259 19415 6264 1 13 . 1 1 410 410 ALA C C 410 178.181 178.181 177.073 1.108 19415 6265 1 13 . 1 1 410 410 ALA CA C 410 52.241 52.241 51.731 0.510 19415 6266 1 13 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.162 -0.060 19415 6267 1 13 . 1 1 410 410 ALA H H 410 8.562 8.562 8.406 0.156 19415 6268 1 13 . 1 1 411 411 ALA N N 411 124.837 124.837 128.303 -3.466 19415 6269 1 13 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.232 -0.303 19415 6270 1 13 . 1 1 411 411 ALA C C 411 178.042 178.042 176.718 1.324 19415 6271 1 13 . 1 1 411 411 ALA CA C 411 54.247 54.247 53.499 0.748 19415 6272 1 13 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.209 -0.479 19415 6273 1 13 . 1 1 411 411 ALA H H 411 8.475 8.475 8.331 0.144 19415 6274 1 13 . 1 1 412 412 LEU N N 412 119.893 119.893 120.336 -0.443 19415 6275 1 13 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.760 -0.052 19415 6276 1 13 . 1 1 412 412 LEU C C 412 174.281 174.281 174.477 -0.196 19415 6277 1 13 . 1 1 412 412 LEU CA C 412 52.130 52.130 51.649 0.481 19415 6278 1 13 . 1 1 412 412 LEU CB C 412 42.645 42.645 44.049 -1.404 19415 6279 1 13 . 1 1 412 412 LEU H H 412 8.075 8.075 7.827 0.248 19415 6280 1 13 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.656 -0.203 19415 6281 1 13 . 1 1 413 413 PRO C C 413 177.094 177.094 176.845 0.249 19415 6282 1 13 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.294 0.707 19415 6283 1 13 . 1 1 413 413 PRO CB C 413 32.179 32.179 31.639 0.540 19415 6284 1 13 . 1 1 414 414 THR N N 414 114.256 114.256 119.929 -5.673 19415 6285 1 13 . 1 1 414 414 THR HA H 414 4.294 4.294 4.234 0.060 19415 6286 1 13 . 1 1 414 414 THR C C 414 174.480 174.480 174.551 -0.071 19415 6287 1 13 . 1 1 414 414 THR CA C 414 61.757 61.757 63.504 -1.747 19415 6288 1 13 . 1 1 414 414 THR CB C 414 69.712 69.712 69.736 -0.024 19415 6289 1 13 . 1 1 414 414 THR H H 414 8.177 8.177 8.562 -0.385 19415 6290 1 13 . 1 1 415 415 SER N N 415 117.918 117.918 115.747 2.171 19415 6291 1 13 . 1 1 415 415 SER HA H 415 4.424 4.424 4.189 0.235 19415 6292 1 13 . 1 1 415 415 SER C C 415 173.689 173.689 173.744 -0.055 19415 6293 1 13 . 1 1 415 415 SER CA C 415 58.072 58.072 59.039 -0.967 19415 6294 1 13 . 1 1 415 415 SER CB C 415 63.852 63.852 62.288 1.564 19415 6295 1 13 . 1 1 415 415 SER H H 415 8.193 8.193 8.750 -0.557 19415 6296 1 13 . 1 1 416 416 HIS N N 416 121.537 121.537 124.312 -2.775 19415 6297 1 13 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.518 0.424 19415 6298 1 13 . 1 1 416 416 HIS C C 416 172.547 172.547 175.440 -2.893 19415 6299 1 13 . 1 1 416 416 HIS CA C 416 53.702 53.702 55.019 -1.317 19415 6300 1 13 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.284 -0.822 19415 6301 1 13 . 1 1 416 416 HIS H H 416 8.373 8.373 8.331 0.042 19415 6302 1 13 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.533 -0.112 19415 6303 1 13 . 1 1 417 417 PRO C C 417 176.060 176.060 176.272 -0.212 19415 6304 1 13 . 1 1 417 417 PRO CA C 417 63.448 63.448 63.346 0.102 19415 6305 1 13 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.251 -0.092 19415 6306 1 13 . 1 1 902 902 GLY N N 902 108.524 108.524 110.419 -1.895 19415 6307 1 13 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.257 1.102 19415 6308 1 13 . 1 1 902 902 GLY H H 902 8.196 8.196 8.706 -0.510 19415 6309 1 13 . 1 1 903 903 SER N N 903 115.821 115.821 118.538 -2.717 19415 6310 1 13 . 1 1 903 903 SER HA H 903 4.403 4.403 4.367 0.036 19415 6311 1 13 . 1 1 903 903 SER CA C 903 58.602 58.602 57.200 1.402 19415 6312 1 13 . 1 1 903 903 SER CB C 903 63.762 63.762 61.992 1.770 19415 6313 1 13 . 1 1 903 903 SER H H 903 8.354 8.354 7.807 0.547 19415 6314 1 13 . 1 1 904 904 GLY N N 904 110.847 110.847 111.915 -1.068 19415 6315 1 13 . 1 1 904 904 GLY C C 904 174.889 174.889 175.264 -0.375 19415 6316 1 13 . 1 1 904 904 GLY CA C 904 45.594 45.594 45.893 -0.299 19415 6317 1 13 . 1 1 904 904 GLY H H 904 8.558 8.558 8.437 0.121 19415 6318 1 13 . 1 1 905 905 GLY N N 905 108.922 108.922 113.251 -4.329 19415 6319 1 13 . 1 1 905 905 GLY C C 905 174.452 174.452 174.083 0.369 19415 6320 1 13 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.406 1.143 19415 6321 1 13 . 1 1 905 905 GLY H H 905 8.307 8.307 8.041 0.266 19415 6322 1 13 . 1 1 906 906 SER N N 906 115.224 115.224 119.710 -4.486 19415 6323 1 13 . 1 1 906 906 SER HA H 906 4.552 4.552 4.511 0.041 19415 6324 1 13 . 1 1 906 906 SER C C 906 175.108 175.108 174.030 1.078 19415 6325 1 13 . 1 1 906 906 SER CA C 906 58.647 58.647 57.669 0.978 19415 6326 1 13 . 1 1 906 906 SER CB C 906 64.091 64.091 62.769 1.322 19415 6327 1 13 . 1 1 906 906 SER H H 906 8.362 8.362 7.775 0.587 19415 6328 1 13 . 1 1 907 907 GLY N N 907 110.875 110.875 112.109 -1.234 19415 6329 1 13 . 1 1 907 907 GLY C C 907 173.335 173.335 173.221 0.114 19415 6330 1 13 . 1 1 907 907 GLY CA C 907 45.010 45.010 45.191 -0.181 19415 6331 1 13 . 1 1 907 907 GLY H H 907 8.437 8.437 7.826 0.611 19415 6332 1 14 . 1 1 78 78 ILE N N 78 124.415 124.415 121.884 2.531 19415 6333 1 14 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.228 -0.186 19415 6334 1 14 . 1 1 78 78 ILE C C 78 175.260 175.260 175.144 0.116 19415 6335 1 14 . 1 1 78 78 ILE CA C 78 60.727 60.727 62.035 -1.308 19415 6336 1 14 . 1 1 78 78 ILE CB C 78 38.922 38.922 37.496 1.426 19415 6337 1 14 . 1 1 78 78 ILE H H 78 8.025 8.025 8.035 -0.010 19415 6338 1 14 . 1 1 79 79 ARG N N 79 125.999 125.999 126.346 -0.347 19415 6339 1 14 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.431 -0.216 19415 6340 1 14 . 1 1 79 79 ARG C C 79 175.494 175.494 174.994 0.500 19415 6341 1 14 . 1 1 79 79 ARG CA C 79 55.856 55.856 56.407 -0.551 19415 6342 1 14 . 1 1 79 79 ARG CB C 79 30.774 30.774 30.766 0.008 19415 6343 1 14 . 1 1 79 79 ARG H H 79 8.249 8.249 8.705 -0.456 19415 6344 1 14 . 1 1 80 80 LEU N N 80 124.427 124.427 113.059 11.368 19415 6345 1 14 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.698 -0.406 19415 6346 1 14 . 1 1 80 80 LEU C C 80 176.785 176.785 175.861 0.924 19415 6347 1 14 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.236 1.584 19415 6348 1 14 . 1 1 80 80 LEU CB C 80 42.520 42.520 41.412 1.108 19415 6349 1 14 . 1 1 80 80 LEU H H 80 8.190 8.190 7.502 0.688 19415 6350 1 14 . 1 1 81 81 PHE N N 81 120.462 120.462 118.340 2.122 19415 6351 1 14 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.014 0.610 19415 6352 1 14 . 1 1 81 81 PHE C C 81 176.212 176.212 176.543 -0.331 19415 6353 1 14 . 1 1 81 81 PHE CA C 81 57.570 57.570 60.296 -2.726 19415 6354 1 14 . 1 1 81 81 PHE CB C 81 39.802 39.802 37.731 2.071 19415 6355 1 14 . 1 1 81 81 PHE H H 81 8.244 8.244 7.471 0.773 19415 6356 1 14 . 1 1 82 82 GLY N N 82 110.003 110.003 108.579 1.424 19415 6357 1 14 . 1 1 82 82 GLY C C 82 173.730 173.730 173.557 0.173 19415 6358 1 14 . 1 1 82 82 GLY CA C 82 45.415 45.415 44.409 1.006 19415 6359 1 14 . 1 1 82 82 GLY H H 82 8.351 8.351 8.581 -0.230 19415 6360 1 14 . 1 1 83 83 ASN N N 83 118.840 118.840 123.706 -4.866 19415 6361 1 14 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.449 0.345 19415 6362 1 14 . 1 1 83 83 ASN C C 83 175.312 175.312 174.499 0.813 19415 6363 1 14 . 1 1 83 83 ASN CA C 83 52.996 52.996 54.191 -1.195 19415 6364 1 14 . 1 1 83 83 ASN CB C 83 39.137 39.137 38.823 0.314 19415 6365 1 14 . 1 1 83 83 ASN H H 83 8.325 8.325 8.560 -0.235 19415 6366 1 14 . 1 1 84 84 SER N N 84 116.555 116.555 120.174 -3.619 19415 6367 1 14 . 1 1 84 84 SER CA C 84 58.823 58.823 58.247 0.576 19415 6368 1 14 . 1 1 84 84 SER CB C 84 63.887 63.887 64.031 -0.144 19415 6369 1 14 . 1 1 84 84 SER H H 84 8.463 8.463 8.270 0.193 19415 6370 1 14 . 1 1 85 85 GLY N N 85 109.826 109.826 110.745 -0.919 19415 6371 1 14 . 1 1 85 85 GLY C C 85 172.709 172.709 172.193 0.516 19415 6372 1 14 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.210 -0.057 19415 6373 1 14 . 1 1 85 85 GLY H H 85 8.341 8.341 8.342 -0.001 19415 6374 1 14 . 1 1 86 86 ALA N N 86 122.100 122.100 125.433 -3.333 19415 6375 1 14 . 1 1 86 86 ALA HA H 86 4.447 4.447 5.093 -0.646 19415 6376 1 14 . 1 1 86 86 ALA C C 86 175.383 175.383 175.507 -0.124 19415 6377 1 14 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.489 0.034 19415 6378 1 14 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.838 -1.127 19415 6379 1 14 . 1 1 86 86 ALA H H 86 7.703 7.703 8.078 -0.375 19415 6380 1 14 . 1 1 87 87 CYS N N 87 121.922 121.922 120.300 1.622 19415 6381 1 14 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.913 -0.716 19415 6382 1 14 . 1 1 87 87 CYS C C 87 178.454 178.454 175.709 2.745 19415 6383 1 14 . 1 1 87 87 CYS CA C 87 58.515 58.515 56.595 1.920 19415 6384 1 14 . 1 1 87 87 CYS CB C 87 31.600 31.600 29.695 1.905 19415 6385 1 14 . 1 1 87 87 CYS H H 87 7.968 7.968 8.268 -0.300 19415 6386 1 14 . 1 1 88 88 SER N N 88 126.804 126.804 120.839 5.965 19415 6387 1 14 . 1 1 88 88 SER HA H 88 4.174 4.174 4.300 -0.126 19415 6388 1 14 . 1 1 88 88 SER C C 88 173.647 173.647 175.958 -2.311 19415 6389 1 14 . 1 1 88 88 SER CA C 88 62.158 62.158 61.117 1.041 19415 6390 1 14 . 1 1 88 88 SER CB C 88 63.401 63.401 63.194 0.207 19415 6391 1 14 . 1 1 88 88 SER H H 88 9.202 9.202 8.651 0.551 19415 6392 1 14 . 1 1 89 89 ALA N N 89 123.763 123.763 123.451 0.312 19415 6393 1 14 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.311 0.525 19415 6394 1 14 . 1 1 89 89 ALA C C 89 178.007 178.007 178.464 -0.457 19415 6395 1 14 . 1 1 89 89 ALA CA C 89 53.933 53.933 54.396 -0.463 19415 6396 1 14 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.025 2.220 19415 6397 1 14 . 1 1 89 89 ALA H H 89 8.964 8.964 7.831 1.133 19415 6398 1 14 . 1 1 90 90 CYS N N 90 115.099 115.099 113.637 1.462 19415 6399 1 14 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.729 0.303 19415 6400 1 14 . 1 1 90 90 CYS C C 90 177.164 177.164 175.696 1.468 19415 6401 1 14 . 1 1 90 90 CYS CA C 90 58.754 58.754 58.892 -0.138 19415 6402 1 14 . 1 1 90 90 CYS CB C 90 31.688 31.688 29.279 2.409 19415 6403 1 14 . 1 1 90 90 CYS H H 90 8.078 8.078 7.801 0.277 19415 6404 1 14 . 1 1 91 91 GLY N N 91 112.869 112.869 110.403 2.466 19415 6405 1 14 . 1 1 91 91 GLY C C 91 173.725 173.725 173.191 0.534 19415 6406 1 14 . 1 1 91 91 GLY CA C 91 46.303 46.303 44.875 1.428 19415 6407 1 14 . 1 1 91 91 GLY H H 91 7.996 7.996 8.348 -0.352 19415 6408 1 14 . 1 1 92 92 GLN N N 92 119.848 119.848 119.553 0.295 19415 6409 1 14 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.854 -0.279 19415 6410 1 14 . 1 1 92 92 GLN C C 92 176.015 176.015 175.533 0.482 19415 6411 1 14 . 1 1 92 92 GLN CA C 92 54.954 54.954 53.228 1.726 19415 6412 1 14 . 1 1 92 92 GLN CB C 92 30.026 30.026 32.559 -2.533 19415 6413 1 14 . 1 1 92 92 GLN H H 92 8.341 8.341 7.837 0.504 19415 6414 1 14 . 1 1 93 93 SER N N 93 116.734 116.734 118.560 -1.826 19415 6415 1 14 . 1 1 93 93 SER C C 93 173.776 173.776 174.883 -1.107 19415 6416 1 14 . 1 1 93 93 SER CA C 93 59.491 59.491 58.837 0.654 19415 6417 1 14 . 1 1 93 93 SER CB C 93 63.707 63.707 63.722 -0.015 19415 6418 1 14 . 1 1 93 93 SER H H 93 8.656 8.656 8.721 -0.065 19415 6419 1 14 . 1 1 94 94 ILE N N 94 126.045 126.045 124.147 1.898 19415 6420 1 14 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.599 -0.257 19415 6421 1 14 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.911 -0.386 19415 6422 1 14 . 1 1 94 94 ILE CB C 94 39.907 39.907 38.376 1.531 19415 6423 1 14 . 1 1 94 94 ILE H H 94 8.281 8.281 8.020 0.261 19415 6424 1 14 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.626 -0.153 19415 6425 1 14 . 1 1 95 95 PRO C C 95 176.605 176.605 177.565 -0.960 19415 6426 1 14 . 1 1 95 95 PRO CA C 95 62.852 62.852 61.795 1.057 19415 6427 1 14 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.173 0.618 19415 6428 1 14 . 1 1 96 96 ALA N N 96 122.591 122.591 121.940 0.651 19415 6429 1 14 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.175 -0.175 19415 6430 1 14 . 1 1 96 96 ALA C C 96 177.763 177.763 177.328 0.435 19415 6431 1 14 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.761 0.844 19415 6432 1 14 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.130 0.976 19415 6433 1 14 . 1 1 96 96 ALA H H 96 8.400 8.400 8.702 -0.302 19415 6434 1 14 . 1 1 97 97 SER N N 97 107.288 107.288 111.501 -4.213 19415 6435 1 14 . 1 1 97 97 SER HA H 97 4.270 4.270 4.499 -0.229 19415 6436 1 14 . 1 1 97 97 SER C C 97 174.625 174.625 174.868 -0.243 19415 6437 1 14 . 1 1 97 97 SER CA C 97 58.532 58.532 58.428 0.104 19415 6438 1 14 . 1 1 97 97 SER CB C 97 63.538 63.538 63.733 -0.195 19415 6439 1 14 . 1 1 97 97 SER H H 97 7.796 7.796 7.884 -0.088 19415 6440 1 14 . 1 1 98 98 GLU N N 98 124.231 124.231 122.129 2.102 19415 6441 1 14 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.519 -0.262 19415 6442 1 14 . 1 1 98 98 GLU C C 98 175.476 175.476 174.795 0.681 19415 6443 1 14 . 1 1 98 98 GLU CA C 98 56.521 56.521 56.094 0.427 19415 6444 1 14 . 1 1 98 98 GLU CB C 98 31.081 31.081 31.476 -0.395 19415 6445 1 14 . 1 1 98 98 GLU H H 98 7.649 7.649 7.635 0.014 19415 6446 1 14 . 1 1 99 99 LEU N N 99 122.696 122.696 122.298 0.398 19415 6447 1 14 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.755 -0.250 19415 6448 1 14 . 1 1 99 99 LEU C C 99 176.253 176.253 176.156 0.097 19415 6449 1 14 . 1 1 99 99 LEU CA C 99 54.635 54.635 53.925 0.710 19415 6450 1 14 . 1 1 99 99 LEU CB C 99 42.967 42.967 44.406 -1.439 19415 6451 1 14 . 1 1 99 99 LEU H H 99 8.250 8.250 8.437 -0.187 19415 6452 1 14 . 1 1 100 100 VAL N N 100 112.933 112.933 116.497 -3.564 19415 6453 1 14 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.490 0.413 19415 6454 1 14 . 1 1 100 100 VAL C C 100 175.544 175.544 173.864 1.680 19415 6455 1 14 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.379 -0.632 19415 6456 1 14 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.842 1.056 19415 6457 1 14 . 1 1 100 100 VAL H H 100 8.934 8.934 9.078 -0.144 19415 6458 1 14 . 1 1 101 101 MET N N 101 116.964 116.964 121.673 -4.709 19415 6459 1 14 . 1 1 101 101 MET HA H 101 4.676 4.676 4.675 0.001 19415 6460 1 14 . 1 1 101 101 MET C C 101 175.197 175.197 174.119 1.078 19415 6461 1 14 . 1 1 101 101 MET CA C 101 52.397 52.397 54.148 -1.751 19415 6462 1 14 . 1 1 101 101 MET CB C 101 34.490 34.490 34.706 -0.216 19415 6463 1 14 . 1 1 101 101 MET H H 101 8.299 8.299 8.932 -0.633 19415 6464 1 14 . 1 1 102 102 ARG N N 102 122.278 122.278 125.122 -2.844 19415 6465 1 14 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.587 0.567 19415 6466 1 14 . 1 1 102 102 ARG C C 102 175.008 175.008 175.124 -0.116 19415 6467 1 14 . 1 1 102 102 ARG CA C 102 54.850 54.850 54.998 -0.148 19415 6468 1 14 . 1 1 102 102 ARG CB C 102 32.335 32.335 30.415 1.921 19415 6469 1 14 . 1 1 102 102 ARG H H 102 8.112 8.112 8.562 -0.450 19415 6470 1 14 . 1 1 103 103 ALA N N 103 123.373 123.373 127.179 -3.806 19415 6471 1 14 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.278 0.321 19415 6472 1 14 . 1 1 103 103 ALA C C 103 176.137 176.137 177.239 -1.102 19415 6473 1 14 . 1 1 103 103 ALA CA C 103 52.049 52.049 52.990 -0.941 19415 6474 1 14 . 1 1 103 103 ALA CB C 103 21.835 21.835 20.120 1.715 19415 6475 1 14 . 1 1 103 103 ALA H H 103 8.129 8.129 8.368 -0.239 19415 6476 1 14 . 1 1 104 104 GLN N N 104 120.352 120.352 115.373 4.979 19415 6477 1 14 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.397 -0.595 19415 6478 1 14 . 1 1 104 104 GLN C C 104 175.032 175.032 175.307 -0.275 19415 6479 1 14 . 1 1 104 104 GLN CA C 104 56.385 56.385 55.356 1.029 19415 6480 1 14 . 1 1 104 104 GLN CB C 104 25.801 25.801 30.608 -4.806 19415 6481 1 14 . 1 1 104 104 GLN H H 104 9.312 9.312 7.934 1.378 19415 6482 1 14 . 1 1 105 105 GLY N N 105 105.580 105.580 115.493 -9.913 19415 6483 1 14 . 1 1 105 105 GLY C C 105 173.414 173.414 174.207 -0.793 19415 6484 1 14 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.230 0.245 19415 6485 1 14 . 1 1 105 105 GLY H H 105 8.493 8.493 8.779 -0.286 19415 6486 1 14 . 1 1 106 106 ASN N N 106 120.347 120.347 121.909 -1.562 19415 6487 1 14 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.805 0.015 19415 6488 1 14 . 1 1 106 106 ASN C C 106 174.060 174.060 173.823 0.237 19415 6489 1 14 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.712 -0.934 19415 6490 1 14 . 1 1 106 106 ASN CB C 106 41.604 41.604 39.984 1.620 19415 6491 1 14 . 1 1 106 106 ASN H H 106 8.085 8.085 8.218 -0.133 19415 6492 1 14 . 1 1 107 107 VAL N N 107 118.992 118.992 120.855 -1.863 19415 6493 1 14 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.073 0.701 19415 6494 1 14 . 1 1 107 107 VAL C C 107 173.066 173.066 173.438 -0.372 19415 6495 1 14 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.400 0.176 19415 6496 1 14 . 1 1 107 107 VAL CB C 107 34.475 34.475 33.901 0.574 19415 6497 1 14 . 1 1 107 107 VAL H H 107 8.207 8.207 7.913 0.294 19415 6498 1 14 . 1 1 108 108 TYR N N 108 121.397 121.397 121.787 -0.390 19415 6499 1 14 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.822 1.108 19415 6500 1 14 . 1 1 108 108 TYR C C 108 177.709 177.709 174.720 2.989 19415 6501 1 14 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.132 -0.130 19415 6502 1 14 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.039 0.899 19415 6503 1 14 . 1 1 108 108 TYR H H 108 8.681 8.681 8.733 -0.052 19415 6504 1 14 . 1 1 109 109 HIS N N 109 120.399 120.399 116.664 3.735 19415 6505 1 14 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.816 -0.059 19415 6506 1 14 . 1 1 109 109 HIS C C 109 178.297 178.297 176.603 1.694 19415 6507 1 14 . 1 1 109 109 HIS CA C 109 59.269 59.269 55.144 4.125 19415 6508 1 14 . 1 1 109 109 HIS CB C 109 31.439 31.439 32.400 -0.961 19415 6509 1 14 . 1 1 109 109 HIS H H 109 8.681 8.681 8.766 -0.085 19415 6510 1 14 . 1 1 110 110 LEU N N 110 124.629 124.629 119.377 5.252 19415 6511 1 14 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.036 -0.154 19415 6512 1 14 . 1 1 110 110 LEU C C 110 180.956 180.956 178.750 2.206 19415 6513 1 14 . 1 1 110 110 LEU CA C 110 60.072 60.072 58.887 1.185 19415 6514 1 14 . 1 1 110 110 LEU CB C 110 40.482 40.482 41.792 -1.310 19415 6515 1 14 . 1 1 110 110 LEU H H 110 8.924 8.924 8.994 -0.070 19415 6516 1 14 . 1 1 111 111 LYS N N 111 112.542 112.542 116.693 -4.151 19415 6517 1 14 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.160 -0.164 19415 6518 1 14 . 1 1 111 111 LYS C C 111 176.711 176.711 177.286 -0.575 19415 6519 1 14 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.491 -0.554 19415 6520 1 14 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.613 0.096 19415 6521 1 14 . 1 1 111 111 LYS H H 111 8.586 8.586 8.211 0.375 19415 6522 1 14 . 1 1 112 112 CYS N N 112 117.897 117.897 116.766 1.131 19415 6523 1 14 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.598 -0.206 19415 6524 1 14 . 1 1 112 112 CYS C C 112 173.923 173.923 175.601 -1.678 19415 6525 1 14 . 1 1 112 112 CYS CA C 112 60.255 60.255 59.295 0.960 19415 6526 1 14 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.121 5.313 19415 6527 1 14 . 1 1 112 112 CYS H H 112 7.439 7.439 8.115 -0.676 19415 6528 1 14 . 1 1 113 113 PHE N N 113 126.150 126.150 124.418 1.732 19415 6529 1 14 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.385 -0.304 19415 6530 1 14 . 1 1 113 113 PHE C C 113 172.777 172.777 173.857 -1.080 19415 6531 1 14 . 1 1 113 113 PHE CA C 113 57.131 57.131 56.286 0.845 19415 6532 1 14 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.294 -0.485 19415 6533 1 14 . 1 1 113 113 PHE H H 113 7.467 7.467 8.002 -0.535 19415 6534 1 14 . 1 1 114 114 THR N N 114 112.302 112.302 115.665 -3.363 19415 6535 1 14 . 1 1 114 114 THR HA H 114 4.577 4.577 5.122 -0.545 19415 6536 1 14 . 1 1 114 114 THR C C 114 172.592 172.592 173.923 -1.331 19415 6537 1 14 . 1 1 114 114 THR CA C 114 57.922 57.922 59.810 -1.889 19415 6538 1 14 . 1 1 114 114 THR CB C 114 72.187 72.187 71.904 0.283 19415 6539 1 14 . 1 1 114 114 THR H H 114 6.895 6.895 7.824 -0.929 19415 6540 1 14 . 1 1 115 115 CYS N N 115 121.388 121.388 118.942 2.446 19415 6541 1 14 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.493 -0.703 19415 6542 1 14 . 1 1 115 115 CYS C C 115 177.309 177.309 176.248 1.061 19415 6543 1 14 . 1 1 115 115 CYS CA C 115 59.284 59.284 57.542 1.742 19415 6544 1 14 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.837 2.784 19415 6545 1 14 . 1 1 115 115 CYS H H 115 7.981 7.981 8.435 -0.454 19415 6546 1 14 . 1 1 116 116 SER N N 116 127.333 127.333 119.068 8.265 19415 6547 1 14 . 1 1 116 116 SER HA H 116 4.066 4.066 4.603 -0.537 19415 6548 1 14 . 1 1 116 116 SER C C 116 174.522 174.522 174.879 -0.357 19415 6549 1 14 . 1 1 116 116 SER CA C 116 61.507 61.507 59.459 2.048 19415 6550 1 14 . 1 1 116 116 SER CB C 116 63.619 63.619 62.191 1.429 19415 6551 1 14 . 1 1 116 116 SER H H 116 9.064 9.064 8.714 0.350 19415 6552 1 14 . 1 1 117 117 THR N N 117 121.020 121.020 115.432 5.588 19415 6553 1 14 . 1 1 117 117 THR HA H 117 4.384 4.384 4.489 -0.105 19415 6554 1 14 . 1 1 117 117 THR C C 117 174.713 174.713 175.339 -0.626 19415 6555 1 14 . 1 1 117 117 THR CA C 117 65.378 65.378 64.217 1.161 19415 6556 1 14 . 1 1 117 117 THR CB C 117 69.656 69.656 70.484 -0.828 19415 6557 1 14 . 1 1 117 117 THR H H 117 8.939 8.939 7.729 1.210 19415 6558 1 14 . 1 1 118 118 CYS N N 118 120.215 120.215 118.361 1.854 19415 6559 1 14 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.981 -0.633 19415 6560 1 14 . 1 1 118 118 CYS C C 118 176.041 176.041 173.799 2.242 19415 6561 1 14 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.824 1.663 19415 6562 1 14 . 1 1 118 118 CYS CB C 118 29.824 29.824 28.655 1.169 19415 6563 1 14 . 1 1 118 118 CYS H H 118 8.180 8.180 8.052 0.128 19415 6564 1 14 . 1 1 119 119 ARG N N 119 114.664 114.664 118.617 -3.953 19415 6565 1 14 . 1 1 119 119 ARG HA H 119 4.111 4.111 3.997 0.114 19415 6566 1 14 . 1 1 119 119 ARG C C 119 174.910 174.910 174.628 0.282 19415 6567 1 14 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.646 0.927 19415 6568 1 14 . 1 1 119 119 ARG CB C 119 26.358 26.358 26.945 -0.587 19415 6569 1 14 . 1 1 119 119 ARG H H 119 7.545 7.545 8.007 -0.462 19415 6570 1 14 . 1 1 120 120 ASN N N 120 118.962 118.962 118.355 0.607 19415 6571 1 14 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.609 0.143 19415 6572 1 14 . 1 1 120 120 ASN C C 120 175.950 175.950 175.563 0.387 19415 6573 1 14 . 1 1 120 120 ASN CA C 120 53.504 53.504 52.790 0.714 19415 6574 1 14 . 1 1 120 120 ASN CB C 120 39.298 39.298 40.016 -0.718 19415 6575 1 14 . 1 1 120 120 ASN H H 120 8.232 8.232 7.865 0.367 19415 6576 1 14 . 1 1 121 121 ARG N N 121 122.104 122.104 125.118 -3.014 19415 6577 1 14 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.425 -0.440 19415 6578 1 14 . 1 1 121 121 ARG C C 121 175.638 175.638 175.902 -0.264 19415 6579 1 14 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.240 0.944 19415 6580 1 14 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.416 0.151 19415 6581 1 14 . 1 1 121 121 ARG H H 121 8.603 8.603 8.546 0.057 19415 6582 1 14 . 1 1 122 122 LEU N N 122 127.225 127.225 128.319 -1.094 19415 6583 1 14 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.267 0.262 19415 6584 1 14 . 1 1 122 122 LEU C C 122 175.345 175.345 175.695 -0.350 19415 6585 1 14 . 1 1 122 122 LEU CA C 122 53.827 53.827 54.960 -1.133 19415 6586 1 14 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.352 -0.780 19415 6587 1 14 . 1 1 122 122 LEU H H 122 8.094 8.094 8.472 -0.378 19415 6588 1 14 . 1 1 123 123 VAL N N 123 121.030 121.030 116.797 4.233 19415 6589 1 14 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.522 -0.047 19415 6590 1 14 . 1 1 123 123 VAL C C 123 173.190 173.190 173.572 -0.382 19415 6591 1 14 . 1 1 123 123 VAL CA C 123 59.031 59.031 57.114 1.917 19415 6592 1 14 . 1 1 123 123 VAL CB C 123 31.454 31.454 32.690 -1.236 19415 6593 1 14 . 1 1 123 123 VAL H H 123 8.416 8.416 7.878 0.538 19415 6594 1 14 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.160 -0.520 19415 6595 1 14 . 1 1 124 124 PRO C C 124 177.425 177.425 177.649 -0.224 19415 6596 1 14 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.540 0.492 19415 6597 1 14 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.570 0.666 19415 6598 1 14 . 1 1 125 125 GLY N N 125 113.120 113.120 113.580 -0.460 19415 6599 1 14 . 1 1 125 125 GLY C C 125 174.384 174.384 173.657 0.727 19415 6600 1 14 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.908 0.195 19415 6601 1 14 . 1 1 125 125 GLY H H 125 8.574 8.574 8.763 -0.189 19415 6602 1 14 . 1 1 126 126 ASP N N 126 122.488 122.488 120.643 1.845 19415 6603 1 14 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.868 -0.145 19415 6604 1 14 . 1 1 126 126 ASP C C 126 176.558 176.558 174.838 1.720 19415 6605 1 14 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.739 1.585 19415 6606 1 14 . 1 1 126 126 ASP CB C 126 41.602 41.602 44.127 -2.525 19415 6607 1 14 . 1 1 126 126 ASP H H 126 8.476 8.476 8.105 0.371 19415 6608 1 14 . 1 1 127 127 ARG N N 127 122.074 122.074 119.029 3.045 19415 6609 1 14 . 1 1 127 127 ARG HA H 127 5.047 5.047 4.854 0.193 19415 6610 1 14 . 1 1 127 127 ARG C C 127 175.671 175.671 175.557 0.114 19415 6611 1 14 . 1 1 127 127 ARG CA C 127 55.559 55.559 56.134 -0.575 19415 6612 1 14 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.038 -0.176 19415 6613 1 14 . 1 1 127 127 ARG H H 127 8.697 8.697 8.599 0.098 19415 6614 1 14 . 1 1 128 128 PHE N N 128 120.179 120.179 125.236 -5.057 19415 6615 1 14 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.837 0.357 19415 6616 1 14 . 1 1 128 128 PHE C C 128 171.304 171.304 172.660 -1.356 19415 6617 1 14 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.321 -0.894 19415 6618 1 14 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.575 0.938 19415 6619 1 14 . 1 1 128 128 PHE H H 128 8.869 8.869 8.533 0.336 19415 6620 1 14 . 1 1 129 129 HIS N N 129 118.586 118.586 124.406 -5.820 19415 6621 1 14 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.480 0.201 19415 6622 1 14 . 1 1 129 129 HIS C C 129 173.764 173.764 172.993 0.771 19415 6623 1 14 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.366 0.444 19415 6624 1 14 . 1 1 129 129 HIS CB C 129 34.983 34.983 32.592 2.391 19415 6625 1 14 . 1 1 129 129 HIS H H 129 9.292 9.292 8.705 0.587 19415 6626 1 14 . 1 1 130 130 TYR N N 130 125.995 125.995 127.971 -1.976 19415 6627 1 14 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.184 0.535 19415 6628 1 14 . 1 1 130 130 TYR C C 130 174.625 174.625 174.550 0.075 19415 6629 1 14 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.616 -0.434 19415 6630 1 14 . 1 1 130 130 TYR CB C 130 40.279 40.279 38.352 1.927 19415 6631 1 14 . 1 1 130 130 TYR H H 130 8.865 8.865 8.509 0.356 19415 6632 1 14 . 1 1 131 131 ILE N N 131 126.610 126.610 128.309 -1.699 19415 6633 1 14 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.215 0.108 19415 6634 1 14 . 1 1 131 131 ILE C C 131 175.516 175.516 175.008 0.508 19415 6635 1 14 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.515 -0.788 19415 6636 1 14 . 1 1 131 131 ILE CB C 131 41.170 41.170 39.653 1.517 19415 6637 1 14 . 1 1 131 131 ILE H H 131 8.889 8.889 8.920 -0.031 19415 6638 1 14 . 1 1 132 132 ASN N N 132 126.614 126.614 126.976 -0.362 19415 6639 1 14 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.361 -0.000 19415 6640 1 14 . 1 1 132 132 ASN C C 132 175.421 175.421 174.662 0.759 19415 6641 1 14 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.905 0.028 19415 6642 1 14 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.639 -0.299 19415 6643 1 14 . 1 1 132 132 ASN H H 132 9.375 9.375 9.240 0.135 19415 6644 1 14 . 1 1 133 133 GLY N N 133 102.667 102.667 102.994 -0.327 19415 6645 1 14 . 1 1 133 133 GLY C C 133 173.969 173.969 172.894 1.075 19415 6646 1 14 . 1 1 133 133 GLY CA C 133 45.395 45.395 44.656 0.739 19415 6647 1 14 . 1 1 133 133 GLY H H 133 7.417 7.417 7.766 -0.349 19415 6648 1 14 . 1 1 134 134 SER N N 134 117.123 117.123 113.662 3.461 19415 6649 1 14 . 1 1 134 134 SER HA H 134 4.743 4.743 4.515 0.228 19415 6650 1 14 . 1 1 134 134 SER C C 134 170.825 170.825 172.660 -1.835 19415 6651 1 14 . 1 1 134 134 SER CA C 134 57.754 57.754 57.082 0.672 19415 6652 1 14 . 1 1 134 134 SER CB C 134 66.060 66.060 65.919 0.141 19415 6653 1 14 . 1 1 134 134 SER H H 134 7.639 7.639 7.082 0.557 19415 6654 1 14 . 1 1 135 135 LEU N N 135 122.242 122.242 124.025 -1.783 19415 6655 1 14 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.853 0.361 19415 6656 1 14 . 1 1 135 135 LEU C C 135 177.735 177.735 175.355 2.380 19415 6657 1 14 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.522 -1.093 19415 6658 1 14 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.157 2.528 19415 6659 1 14 . 1 1 135 135 LEU H H 135 8.236 8.236 8.489 -0.254 19415 6660 1 14 . 1 1 136 136 PHE N N 136 118.689 118.689 121.333 -2.644 19415 6661 1 14 . 1 1 136 136 PHE HA H 136 5.990 5.990 4.972 1.018 19415 6662 1 14 . 1 1 136 136 PHE C C 136 175.971 175.971 174.832 1.139 19415 6663 1 14 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.675 0.229 19415 6664 1 14 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.110 1.219 19415 6665 1 14 . 1 1 136 136 PHE H H 136 9.221 9.221 8.902 0.319 19415 6666 1 14 . 1 1 137 137 CYS N N 137 121.328 121.328 118.742 2.586 19415 6667 1 14 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.270 -0.304 19415 6668 1 14 . 1 1 137 137 CYS C C 137 175.030 175.030 174.903 0.127 19415 6669 1 14 . 1 1 137 137 CYS CA C 137 57.553 57.553 55.928 1.625 19415 6670 1 14 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.523 -1.298 19415 6671 1 14 . 1 1 137 137 CYS H H 137 9.716 9.716 9.228 0.488 19415 6672 1 14 . 1 1 138 138 GLU N N 138 118.055 118.055 120.608 -2.553 19415 6673 1 14 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.141 0.002 19415 6674 1 14 . 1 1 138 138 GLU C C 138 178.535 178.535 178.580 -0.045 19415 6675 1 14 . 1 1 138 138 GLU CA C 138 59.569 59.569 58.765 0.804 19415 6676 1 14 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.639 0.257 19415 6677 1 14 . 1 1 138 138 GLU H H 138 8.476 8.476 8.873 -0.397 19415 6678 1 14 . 1 1 139 139 HIS N N 139 117.190 117.190 119.304 -2.114 19415 6679 1 14 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.509 -0.079 19415 6680 1 14 . 1 1 139 139 HIS C C 139 175.584 175.584 175.956 -0.372 19415 6681 1 14 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.892 -0.761 19415 6682 1 14 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.380 -1.434 19415 6683 1 14 . 1 1 139 139 HIS H H 139 8.365 8.365 7.993 0.372 19415 6684 1 14 . 1 1 140 140 ASP N N 140 118.373 118.373 117.115 1.258 19415 6685 1 14 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.738 0.218 19415 6686 1 14 . 1 1 140 140 ASP C C 140 174.258 174.258 175.408 -1.150 19415 6687 1 14 . 1 1 140 140 ASP CA C 140 54.319 54.319 52.910 1.409 19415 6688 1 14 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.459 0.858 19415 6689 1 14 . 1 1 140 140 ASP H H 140 8.082 8.082 7.820 0.262 19415 6690 1 14 . 1 1 141 141 ARG N N 141 121.880 121.880 121.893 -0.013 19415 6691 1 14 . 1 1 141 141 ARG HA H 141 3.616 3.616 4.121 -0.505 19415 6692 1 14 . 1 1 141 141 ARG C C 141 173.939 173.939 174.428 -0.489 19415 6693 1 14 . 1 1 141 141 ARG CA C 141 54.722 54.722 56.109 -1.387 19415 6694 1 14 . 1 1 141 141 ARG CB C 141 29.423 29.423 30.073 -0.650 19415 6695 1 14 . 1 1 141 141 ARG H H 141 7.120 7.120 7.281 -0.161 19415 6696 1 14 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.424 -0.174 19415 6697 1 14 . 1 1 142 142 PRO C C 142 176.688 176.688 176.777 -0.089 19415 6698 1 14 . 1 1 142 142 PRO CA C 142 62.699 62.699 61.976 0.723 19415 6699 1 14 . 1 1 142 142 PRO CB C 142 31.249 31.249 30.682 0.567 19415 6700 1 14 . 1 1 143 143 THR N N 143 115.472 115.472 116.590 -1.118 19415 6701 1 14 . 1 1 143 143 THR HA H 143 3.924 3.924 3.988 -0.064 19415 6702 1 14 . 1 1 143 143 THR C C 143 174.890 174.890 175.288 -0.398 19415 6703 1 14 . 1 1 143 143 THR CA C 143 63.099 63.099 63.827 -0.728 19415 6704 1 14 . 1 1 143 143 THR CB C 143 69.197 69.197 68.190 1.007 19415 6705 1 14 . 1 1 143 143 THR H H 143 8.015 8.015 7.879 0.136 19415 6706 1 14 . 1 1 144 144 ALA N N 144 124.502 124.502 123.137 1.365 19415 6707 1 14 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.198 0.002 19415 6708 1 14 . 1 1 144 144 ALA C C 144 177.656 177.656 176.578 1.078 19415 6709 1 14 . 1 1 144 144 ALA CA C 144 52.807 52.807 53.460 -0.653 19415 6710 1 14 . 1 1 144 144 ALA CB C 144 19.005 19.005 19.103 -0.098 19415 6711 1 14 . 1 1 144 144 ALA H H 144 8.130 8.130 8.137 -0.007 19415 6712 1 14 . 1 1 145 145 LEU N N 145 119.506 119.506 118.001 1.505 19415 6713 1 14 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.467 -0.191 19415 6714 1 14 . 1 1 145 145 LEU C C 145 177.574 177.574 175.079 2.495 19415 6715 1 14 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.931 0.136 19415 6716 1 14 . 1 1 145 145 LEU CB C 145 42.231 42.231 43.813 -1.582 19415 6717 1 14 . 1 1 145 145 LEU H H 145 7.897 7.897 7.314 0.583 19415 6718 1 14 . 1 1 146 146 ILE N N 146 120.683 120.683 117.740 2.943 19415 6719 1 14 . 1 1 146 146 ILE HA H 146 4.055 4.055 3.766 0.289 19415 6720 1 14 . 1 1 146 146 ILE C C 146 176.259 176.259 174.918 1.341 19415 6721 1 14 . 1 1 146 146 ILE CA C 146 61.486 61.486 61.273 0.213 19415 6722 1 14 . 1 1 146 146 ILE CB C 146 38.629 38.629 36.944 1.685 19415 6723 1 14 . 1 1 146 146 ILE H H 146 7.842 7.842 8.219 -0.377 19415 6724 1 14 . 1 1 405 405 ALA N N 405 133.214 133.214 128.515 4.699 19415 6725 1 14 . 1 1 405 405 ALA HA H 405 4.471 4.471 3.852 0.619 19415 6726 1 14 . 1 1 405 405 ALA CA C 405 50.818 50.818 50.969 -0.151 19415 6727 1 14 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.564 -1.517 19415 6728 1 14 . 1 1 405 405 ALA H H 405 9.651 9.651 8.514 1.137 19415 6729 1 14 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.375 0.212 19415 6730 1 14 . 1 1 406 406 PRO C C 406 174.175 174.175 175.698 -1.523 19415 6731 1 14 . 1 1 406 406 PRO CA C 406 61.942 61.942 63.046 -1.104 19415 6732 1 14 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.239 0.750 19415 6733 1 14 . 1 1 407 407 PHE N N 407 113.077 113.077 117.858 -4.781 19415 6734 1 14 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.619 -0.115 19415 6735 1 14 . 1 1 407 407 PHE C C 407 174.954 174.954 174.639 0.315 19415 6736 1 14 . 1 1 407 407 PHE CA C 407 57.263 57.263 55.589 1.674 19415 6737 1 14 . 1 1 407 407 PHE CB C 407 38.318 38.318 39.208 -0.890 19415 6738 1 14 . 1 1 407 407 PHE H H 407 7.899 7.899 8.504 -0.605 19415 6739 1 14 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.725 0.028 19415 6740 1 14 . 1 1 408 408 PRO C C 408 175.865 175.865 175.848 0.017 19415 6741 1 14 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.528 0.398 19415 6742 1 14 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.988 1.468 19415 6743 1 14 . 1 1 409 409 GLU N N 409 119.349 119.349 122.238 -2.889 19415 6744 1 14 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.621 0.102 19415 6745 1 14 . 1 1 409 409 GLU C C 409 174.291 174.291 174.615 -0.324 19415 6746 1 14 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.440 -0.260 19415 6747 1 14 . 1 1 409 409 GLU CB C 409 34.429 34.429 32.367 2.062 19415 6748 1 14 . 1 1 409 409 GLU H H 409 8.813 8.813 9.030 -0.217 19415 6749 1 14 . 1 1 410 410 ALA N N 410 124.017 124.017 122.324 1.693 19415 6750 1 14 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.652 -0.321 19415 6751 1 14 . 1 1 410 410 ALA C C 410 178.181 178.181 176.944 1.237 19415 6752 1 14 . 1 1 410 410 ALA CA C 410 52.241 52.241 51.505 0.736 19415 6753 1 14 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.497 -0.395 19415 6754 1 14 . 1 1 410 410 ALA H H 410 8.562 8.562 8.402 0.160 19415 6755 1 14 . 1 1 411 411 ALA N N 411 124.837 124.837 128.055 -3.218 19415 6756 1 14 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.318 -0.389 19415 6757 1 14 . 1 1 411 411 ALA C C 411 178.042 178.042 176.711 1.331 19415 6758 1 14 . 1 1 411 411 ALA CA C 411 54.247 54.247 53.276 0.972 19415 6759 1 14 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.344 -0.614 19415 6760 1 14 . 1 1 411 411 ALA H H 411 8.475 8.475 8.297 0.178 19415 6761 1 14 . 1 1 412 412 LEU N N 412 119.893 119.893 120.950 -1.057 19415 6762 1 14 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.766 -0.058 19415 6763 1 14 . 1 1 412 412 LEU C C 412 174.281 174.281 174.353 -0.072 19415 6764 1 14 . 1 1 412 412 LEU CA C 412 52.130 52.130 51.880 0.249 19415 6765 1 14 . 1 1 412 412 LEU CB C 412 42.645 42.645 44.111 -1.466 19415 6766 1 14 . 1 1 412 412 LEU H H 412 8.075 8.075 7.852 0.223 19415 6767 1 14 . 1 1 413 413 PRO HA H 413 4.453 4.453 5.219 -0.766 19415 6768 1 14 . 1 1 413 413 PRO C C 413 177.094 177.094 176.612 0.482 19415 6769 1 14 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.027 0.974 19415 6770 1 14 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.712 -0.533 19415 6771 1 14 . 1 1 414 414 THR N N 414 114.256 114.256 115.803 -1.547 19415 6772 1 14 . 1 1 414 414 THR HA H 414 4.294 4.294 4.332 -0.038 19415 6773 1 14 . 1 1 414 414 THR C C 414 174.480 174.480 175.203 -0.723 19415 6774 1 14 . 1 1 414 414 THR CA C 414 61.757 61.757 61.635 0.122 19415 6775 1 14 . 1 1 414 414 THR CB C 414 69.712 69.712 69.845 -0.133 19415 6776 1 14 . 1 1 414 414 THR H H 414 8.177 8.177 8.043 0.134 19415 6777 1 14 . 1 1 415 415 SER N N 415 117.918 117.918 116.550 1.368 19415 6778 1 14 . 1 1 415 415 SER HA H 415 4.424 4.424 4.359 0.065 19415 6779 1 14 . 1 1 415 415 SER C C 415 173.689 173.689 174.843 -1.154 19415 6780 1 14 . 1 1 415 415 SER CA C 415 58.072 58.072 59.334 -1.262 19415 6781 1 14 . 1 1 415 415 SER CB C 415 63.852 63.852 63.622 0.230 19415 6782 1 14 . 1 1 415 415 SER H H 415 8.193 8.193 8.175 0.018 19415 6783 1 14 . 1 1 416 416 HIS N N 416 121.537 121.537 124.387 -2.850 19415 6784 1 14 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.748 0.194 19415 6785 1 14 . 1 1 416 416 HIS C C 416 172.547 172.547 174.698 -2.151 19415 6786 1 14 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.272 -0.570 19415 6787 1 14 . 1 1 416 416 HIS CB C 416 29.462 29.462 29.840 -0.378 19415 6788 1 14 . 1 1 416 416 HIS H H 416 8.373 8.373 8.722 -0.349 19415 6789 1 14 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.451 -0.030 19415 6790 1 14 . 1 1 417 417 PRO C C 417 176.060 176.060 176.694 -0.634 19415 6791 1 14 . 1 1 417 417 PRO CA C 417 63.448 63.448 63.510 -0.062 19415 6792 1 14 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.312 -0.153 19415 6793 1 14 . 1 1 902 902 GLY N N 902 108.524 108.524 110.756 -2.232 19415 6794 1 14 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.635 0.725 19415 6795 1 14 . 1 1 902 902 GLY H H 902 8.196 8.196 8.140 0.056 19415 6796 1 14 . 1 1 903 903 SER N N 903 115.821 115.821 120.103 -4.282 19415 6797 1 14 . 1 1 903 903 SER HA H 903 4.403 4.403 4.343 0.060 19415 6798 1 14 . 1 1 903 903 SER CA C 903 58.602 58.602 58.136 0.466 19415 6799 1 14 . 1 1 903 903 SER CB C 903 63.762 63.762 62.276 1.486 19415 6800 1 14 . 1 1 903 903 SER H H 903 8.354 8.354 7.941 0.413 19415 6801 1 14 . 1 1 904 904 GLY N N 904 110.847 110.847 116.847 -6.000 19415 6802 1 14 . 1 1 904 904 GLY C C 904 174.889 174.889 174.897 -0.008 19415 6803 1 14 . 1 1 904 904 GLY CA C 904 45.594 45.594 46.204 -0.610 19415 6804 1 14 . 1 1 904 904 GLY H H 904 8.558 8.558 8.325 0.233 19415 6805 1 14 . 1 1 905 905 GLY N N 905 108.922 108.922 112.120 -3.198 19415 6806 1 14 . 1 1 905 905 GLY C C 905 174.452 174.452 175.088 -0.636 19415 6807 1 14 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.555 0.994 19415 6808 1 14 . 1 1 905 905 GLY H H 905 8.307 8.307 8.396 -0.089 19415 6809 1 14 . 1 1 906 906 SER N N 906 115.224 115.224 118.662 -3.438 19415 6810 1 14 . 1 1 906 906 SER HA H 906 4.552 4.552 4.391 0.161 19415 6811 1 14 . 1 1 906 906 SER C C 906 175.108 175.108 174.217 0.891 19415 6812 1 14 . 1 1 906 906 SER CA C 906 58.647 58.647 59.952 -1.305 19415 6813 1 14 . 1 1 906 906 SER CB C 906 64.091 64.091 63.818 0.274 19415 6814 1 14 . 1 1 906 906 SER H H 906 8.362 8.362 7.670 0.692 19415 6815 1 14 . 1 1 907 907 GLY N N 907 110.875 110.875 111.943 -1.068 19415 6816 1 14 . 1 1 907 907 GLY C C 907 173.335 173.335 173.014 0.321 19415 6817 1 14 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.918 0.092 19415 6818 1 14 . 1 1 907 907 GLY H H 907 8.437 8.437 8.258 0.179 19415 6819 1 15 . 1 1 78 78 ILE N N 78 124.415 124.415 123.961 0.454 19415 6820 1 15 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.446 -0.404 19415 6821 1 15 . 1 1 78 78 ILE C C 78 175.260 175.260 175.598 -0.338 19415 6822 1 15 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.406 -0.679 19415 6823 1 15 . 1 1 78 78 ILE CB C 78 38.922 38.922 39.281 -0.359 19415 6824 1 15 . 1 1 78 78 ILE H H 78 8.025 8.025 8.661 -0.636 19415 6825 1 15 . 1 1 79 79 ARG N N 79 125.999 125.999 125.003 0.996 19415 6826 1 15 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.408 -0.193 19415 6827 1 15 . 1 1 79 79 ARG C C 79 175.494 175.494 175.250 0.244 19415 6828 1 15 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.955 -0.099 19415 6829 1 15 . 1 1 79 79 ARG CB C 79 30.774 30.774 31.476 -0.702 19415 6830 1 15 . 1 1 79 79 ARG H H 79 8.249 8.249 8.687 -0.438 19415 6831 1 15 . 1 1 80 80 LEU N N 80 124.427 124.427 117.894 6.533 19415 6832 1 15 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.503 -0.211 19415 6833 1 15 . 1 1 80 80 LEU C C 80 176.785 176.785 175.910 0.875 19415 6834 1 15 . 1 1 80 80 LEU CA C 80 54.820 54.820 54.084 0.736 19415 6835 1 15 . 1 1 80 80 LEU CB C 80 42.520 42.520 43.480 -0.960 19415 6836 1 15 . 1 1 80 80 LEU H H 80 8.190 8.190 7.485 0.705 19415 6837 1 15 . 1 1 81 81 PHE N N 81 120.462 120.462 119.759 0.703 19415 6838 1 15 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.448 0.176 19415 6839 1 15 . 1 1 81 81 PHE C C 81 176.212 176.212 177.085 -0.873 19415 6840 1 15 . 1 1 81 81 PHE CA C 81 57.570 57.570 60.726 -3.156 19415 6841 1 15 . 1 1 81 81 PHE CB C 81 39.802 39.802 39.364 0.438 19415 6842 1 15 . 1 1 81 81 PHE H H 81 8.244 8.244 8.176 0.068 19415 6843 1 15 . 1 1 82 82 GLY N N 82 110.003 110.003 106.757 3.246 19415 6844 1 15 . 1 1 82 82 GLY C C 82 173.730 173.730 173.135 0.595 19415 6845 1 15 . 1 1 82 82 GLY CA C 82 45.415 45.415 44.372 1.043 19415 6846 1 15 . 1 1 82 82 GLY H H 82 8.351 8.351 8.597 -0.246 19415 6847 1 15 . 1 1 83 83 ASN N N 83 118.840 118.840 123.610 -4.770 19415 6848 1 15 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.449 0.345 19415 6849 1 15 . 1 1 83 83 ASN C C 83 175.312 175.312 174.523 0.789 19415 6850 1 15 . 1 1 83 83 ASN CA C 83 52.996 52.996 54.364 -1.369 19415 6851 1 15 . 1 1 83 83 ASN CB C 83 39.137 39.137 38.488 0.649 19415 6852 1 15 . 1 1 83 83 ASN H H 83 8.325 8.325 8.239 0.086 19415 6853 1 15 . 1 1 84 84 SER N N 84 116.555 116.555 121.565 -5.010 19415 6854 1 15 . 1 1 84 84 SER CA C 84 58.823 58.823 59.030 -0.207 19415 6855 1 15 . 1 1 84 84 SER CB C 84 63.887 63.887 65.578 -1.691 19415 6856 1 15 . 1 1 84 84 SER H H 84 8.463 8.463 8.027 0.436 19415 6857 1 15 . 1 1 85 85 GLY N N 85 109.826 109.826 110.028 -0.202 19415 6858 1 15 . 1 1 85 85 GLY C C 85 172.709 172.709 171.765 0.944 19415 6859 1 15 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.353 -0.200 19415 6860 1 15 . 1 1 85 85 GLY H H 85 8.341 8.341 8.379 -0.038 19415 6861 1 15 . 1 1 86 86 ALA N N 86 122.100 122.100 126.983 -4.883 19415 6862 1 15 . 1 1 86 86 ALA HA H 86 4.447 4.447 5.011 -0.564 19415 6863 1 15 . 1 1 86 86 ALA C C 86 175.383 175.383 176.214 -0.831 19415 6864 1 15 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.031 0.492 19415 6865 1 15 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.723 -1.011 19415 6866 1 15 . 1 1 86 86 ALA H H 86 7.703 7.703 8.055 -0.352 19415 6867 1 15 . 1 1 87 87 CYS N N 87 121.922 121.922 119.821 2.101 19415 6868 1 15 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.256 -0.059 19415 6869 1 15 . 1 1 87 87 CYS C C 87 178.454 178.454 176.510 1.944 19415 6870 1 15 . 1 1 87 87 CYS CA C 87 58.515 58.515 59.565 -1.050 19415 6871 1 15 . 1 1 87 87 CYS CB C 87 31.600 31.600 27.930 3.670 19415 6872 1 15 . 1 1 87 87 CYS H H 87 7.968 7.968 8.528 -0.560 19415 6873 1 15 . 1 1 88 88 SER N N 88 126.804 126.804 122.904 3.900 19415 6874 1 15 . 1 1 88 88 SER HA H 88 4.174 4.174 4.529 -0.355 19415 6875 1 15 . 1 1 88 88 SER C C 88 173.647 173.647 174.082 -0.435 19415 6876 1 15 . 1 1 88 88 SER CA C 88 62.158 62.158 59.798 2.360 19415 6877 1 15 . 1 1 88 88 SER CB C 88 63.401 63.401 62.574 0.827 19415 6878 1 15 . 1 1 88 88 SER H H 88 9.202 9.202 8.618 0.584 19415 6879 1 15 . 1 1 89 89 ALA N N 89 123.763 123.763 124.144 -0.381 19415 6880 1 15 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.512 0.324 19415 6881 1 15 . 1 1 89 89 ALA C C 89 178.007 178.007 178.132 -0.125 19415 6882 1 15 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.535 0.398 19415 6883 1 15 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.453 1.792 19415 6884 1 15 . 1 1 89 89 ALA H H 89 8.964 8.964 8.001 0.963 19415 6885 1 15 . 1 1 90 90 CYS N N 90 115.099 115.099 115.345 -0.246 19415 6886 1 15 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.619 0.413 19415 6887 1 15 . 1 1 90 90 CYS C C 90 177.164 177.164 176.029 1.135 19415 6888 1 15 . 1 1 90 90 CYS CA C 90 58.754 58.754 58.563 0.191 19415 6889 1 15 . 1 1 90 90 CYS CB C 90 31.688 31.688 28.662 3.026 19415 6890 1 15 . 1 1 90 90 CYS H H 90 8.078 8.078 7.953 0.125 19415 6891 1 15 . 1 1 91 91 GLY N N 91 112.869 112.869 109.351 3.518 19415 6892 1 15 . 1 1 91 91 GLY C C 91 173.725 173.725 174.677 -0.952 19415 6893 1 15 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.029 1.274 19415 6894 1 15 . 1 1 91 91 GLY H H 91 7.996 7.996 8.321 -0.325 19415 6895 1 15 . 1 1 92 92 GLN N N 92 119.848 119.848 120.831 -0.983 19415 6896 1 15 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.702 -0.127 19415 6897 1 15 . 1 1 92 92 GLN C C 92 176.015 176.015 175.894 0.121 19415 6898 1 15 . 1 1 92 92 GLN CA C 92 54.954 54.954 53.679 1.275 19415 6899 1 15 . 1 1 92 92 GLN CB C 92 30.026 30.026 30.360 -0.334 19415 6900 1 15 . 1 1 92 92 GLN H H 92 8.341 8.341 7.614 0.727 19415 6901 1 15 . 1 1 93 93 SER N N 93 116.734 116.734 117.881 -1.147 19415 6902 1 15 . 1 1 93 93 SER C C 93 173.776 173.776 174.848 -1.072 19415 6903 1 15 . 1 1 93 93 SER CA C 93 59.491 59.491 59.557 -0.066 19415 6904 1 15 . 1 1 93 93 SER CB C 93 63.707 63.707 63.632 0.076 19415 6905 1 15 . 1 1 93 93 SER H H 93 8.656 8.656 8.716 -0.060 19415 6906 1 15 . 1 1 94 94 ILE N N 94 126.045 126.045 124.696 1.349 19415 6907 1 15 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.699 -0.357 19415 6908 1 15 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.744 -0.219 19415 6909 1 15 . 1 1 94 94 ILE CB C 94 39.907 39.907 39.182 0.725 19415 6910 1 15 . 1 1 94 94 ILE H H 94 8.281 8.281 8.640 -0.359 19415 6911 1 15 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.708 -0.235 19415 6912 1 15 . 1 1 95 95 PRO C C 95 176.605 176.605 177.693 -1.088 19415 6913 1 15 . 1 1 95 95 PRO CA C 95 62.852 62.852 61.870 0.982 19415 6914 1 15 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.264 0.527 19415 6915 1 15 . 1 1 96 96 ALA N N 96 122.591 122.591 124.914 -2.323 19415 6916 1 15 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.173 -0.173 19415 6917 1 15 . 1 1 96 96 ALA C C 96 177.763 177.763 177.864 -0.101 19415 6918 1 15 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.982 0.623 19415 6919 1 15 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.596 0.510 19415 6920 1 15 . 1 1 96 96 ALA H H 96 8.400 8.400 8.713 -0.313 19415 6921 1 15 . 1 1 97 97 SER N N 97 107.288 107.288 111.993 -4.705 19415 6922 1 15 . 1 1 97 97 SER HA H 97 4.270 4.270 4.411 -0.141 19415 6923 1 15 . 1 1 97 97 SER C C 97 174.625 174.625 174.352 0.273 19415 6924 1 15 . 1 1 97 97 SER CA C 97 58.532 58.532 59.145 -0.613 19415 6925 1 15 . 1 1 97 97 SER CB C 97 63.538 63.538 62.982 0.556 19415 6926 1 15 . 1 1 97 97 SER H H 97 7.796 7.796 8.106 -0.310 19415 6927 1 15 . 1 1 98 98 GLU N N 98 124.231 124.231 122.700 1.531 19415 6928 1 15 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.502 -0.245 19415 6929 1 15 . 1 1 98 98 GLU C C 98 175.476 175.476 174.673 0.803 19415 6930 1 15 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.419 1.101 19415 6931 1 15 . 1 1 98 98 GLU CB C 98 31.081 31.081 31.065 0.016 19415 6932 1 15 . 1 1 98 98 GLU H H 98 7.649 7.649 7.601 0.048 19415 6933 1 15 . 1 1 99 99 LEU N N 99 122.696 122.696 127.829 -5.133 19415 6934 1 15 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.416 0.089 19415 6935 1 15 . 1 1 99 99 LEU C C 99 176.253 176.253 176.060 0.193 19415 6936 1 15 . 1 1 99 99 LEU CA C 99 54.635 54.635 54.934 -0.299 19415 6937 1 15 . 1 1 99 99 LEU CB C 99 42.967 42.967 42.688 0.279 19415 6938 1 15 . 1 1 99 99 LEU H H 99 8.250 8.250 8.742 -0.492 19415 6939 1 15 . 1 1 100 100 VAL N N 100 112.933 112.933 119.204 -6.271 19415 6940 1 15 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.536 0.367 19415 6941 1 15 . 1 1 100 100 VAL C C 100 175.544 175.544 174.840 0.704 19415 6942 1 15 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.579 -0.832 19415 6943 1 15 . 1 1 100 100 VAL CB C 100 35.898 35.898 33.890 2.008 19415 6944 1 15 . 1 1 100 100 VAL H H 100 8.934 8.934 9.061 -0.127 19415 6945 1 15 . 1 1 101 101 MET N N 101 116.964 116.964 124.983 -8.019 19415 6946 1 15 . 1 1 101 101 MET HA H 101 4.676 4.676 4.484 0.192 19415 6947 1 15 . 1 1 101 101 MET C C 101 175.197 175.197 175.063 0.134 19415 6948 1 15 . 1 1 101 101 MET CA C 101 52.397 52.397 54.852 -2.455 19415 6949 1 15 . 1 1 101 101 MET CB C 101 34.490 34.490 32.576 1.914 19415 6950 1 15 . 1 1 101 101 MET H H 101 8.299 8.299 8.418 -0.119 19415 6951 1 15 . 1 1 102 102 ARG N N 102 122.278 122.278 125.863 -3.585 19415 6952 1 15 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.730 0.424 19415 6953 1 15 . 1 1 102 102 ARG C C 102 175.008 175.008 174.985 0.023 19415 6954 1 15 . 1 1 102 102 ARG CA C 102 54.850 54.850 56.158 -1.308 19415 6955 1 15 . 1 1 102 102 ARG CB C 102 32.335 32.335 32.276 0.059 19415 6956 1 15 . 1 1 102 102 ARG H H 102 8.112 8.112 7.930 0.182 19415 6957 1 15 . 1 1 103 103 ALA N N 103 123.373 123.373 126.496 -3.123 19415 6958 1 15 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.618 -0.019 19415 6959 1 15 . 1 1 103 103 ALA C C 103 176.137 176.137 175.825 0.312 19415 6960 1 15 . 1 1 103 103 ALA CA C 103 52.049 52.049 51.087 0.962 19415 6961 1 15 . 1 1 103 103 ALA CB C 103 21.835 21.835 20.712 1.123 19415 6962 1 15 . 1 1 103 103 ALA H H 103 8.129 8.129 8.905 -0.776 19415 6963 1 15 . 1 1 104 104 GLN N N 104 120.352 120.352 121.587 -1.235 19415 6964 1 15 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.145 -0.343 19415 6965 1 15 . 1 1 104 104 GLN C C 104 175.032 175.032 176.821 -1.789 19415 6966 1 15 . 1 1 104 104 GLN CA C 104 56.385 56.385 56.185 0.200 19415 6967 1 15 . 1 1 104 104 GLN CB C 104 25.801 25.801 26.828 -1.027 19415 6968 1 15 . 1 1 104 104 GLN H H 104 9.312 9.312 8.065 1.247 19415 6969 1 15 . 1 1 105 105 GLY N N 105 105.580 105.580 112.009 -6.429 19415 6970 1 15 . 1 1 105 105 GLY C C 105 173.414 173.414 173.406 0.008 19415 6971 1 15 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.293 0.182 19415 6972 1 15 . 1 1 105 105 GLY H H 105 8.493 8.493 8.528 -0.035 19415 6973 1 15 . 1 1 106 106 ASN N N 106 120.347 120.347 118.813 1.534 19415 6974 1 15 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.672 0.148 19415 6975 1 15 . 1 1 106 106 ASN C C 106 174.060 174.060 173.415 0.645 19415 6976 1 15 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.116 -0.339 19415 6977 1 15 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.267 1.337 19415 6978 1 15 . 1 1 106 106 ASN H H 106 8.085 8.085 7.932 0.153 19415 6979 1 15 . 1 1 107 107 VAL N N 107 118.992 118.992 117.528 1.464 19415 6980 1 15 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.267 0.507 19415 6981 1 15 . 1 1 107 107 VAL C C 107 173.066 173.066 174.027 -0.961 19415 6982 1 15 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.554 0.022 19415 6983 1 15 . 1 1 107 107 VAL CB C 107 34.475 34.475 32.395 2.080 19415 6984 1 15 . 1 1 107 107 VAL H H 107 8.207 8.207 8.187 0.020 19415 6985 1 15 . 1 1 108 108 TYR N N 108 121.397 121.397 122.195 -0.798 19415 6986 1 15 . 1 1 108 108 TYR HA H 108 5.930 5.930 5.082 0.848 19415 6987 1 15 . 1 1 108 108 TYR C C 108 177.709 177.709 175.781 1.928 19415 6988 1 15 . 1 1 108 108 TYR CA C 108 56.002 56.002 55.827 0.175 19415 6989 1 15 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.624 0.314 19415 6990 1 15 . 1 1 108 108 TYR H H 108 8.681 8.681 8.438 0.243 19415 6991 1 15 . 1 1 109 109 HIS N N 109 120.399 120.399 117.005 3.394 19415 6992 1 15 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.836 -0.079 19415 6993 1 15 . 1 1 109 109 HIS C C 109 178.297 178.297 176.526 1.771 19415 6994 1 15 . 1 1 109 109 HIS CA C 109 59.269 59.269 55.273 3.996 19415 6995 1 15 . 1 1 109 109 HIS CB C 109 31.439 31.439 32.211 -0.772 19415 6996 1 15 . 1 1 109 109 HIS H H 109 8.681 8.681 8.905 -0.224 19415 6997 1 15 . 1 1 110 110 LEU N N 110 124.629 124.629 119.106 5.523 19415 6998 1 15 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.065 -0.183 19415 6999 1 15 . 1 1 110 110 LEU C C 110 180.956 180.956 177.831 3.125 19415 7000 1 15 . 1 1 110 110 LEU CA C 110 60.072 60.072 58.055 2.017 19415 7001 1 15 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.103 -1.621 19415 7002 1 15 . 1 1 110 110 LEU H H 110 8.924 8.924 9.084 -0.160 19415 7003 1 15 . 1 1 111 111 LYS N N 111 112.542 112.542 115.508 -2.966 19415 7004 1 15 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.201 -0.205 19415 7005 1 15 . 1 1 111 111 LYS C C 111 176.711 176.711 177.712 -1.001 19415 7006 1 15 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.706 -0.769 19415 7007 1 15 . 1 1 111 111 LYS CB C 111 31.709 31.709 32.003 -0.294 19415 7008 1 15 . 1 1 111 111 LYS H H 111 8.586 8.586 8.073 0.513 19415 7009 1 15 . 1 1 112 112 CYS N N 112 117.897 117.897 116.566 1.331 19415 7010 1 15 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.711 -0.319 19415 7011 1 15 . 1 1 112 112 CYS C C 112 173.923 173.923 175.784 -1.861 19415 7012 1 15 . 1 1 112 112 CYS CA C 112 60.255 60.255 60.000 0.255 19415 7013 1 15 . 1 1 112 112 CYS CB C 112 31.434 31.434 25.708 5.726 19415 7014 1 15 . 1 1 112 112 CYS H H 112 7.439 7.439 8.384 -0.945 19415 7015 1 15 . 1 1 113 113 PHE N N 113 126.150 126.150 124.507 1.643 19415 7016 1 15 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.471 -0.390 19415 7017 1 15 . 1 1 113 113 PHE C C 113 172.777 172.777 173.622 -0.845 19415 7018 1 15 . 1 1 113 113 PHE CA C 113 57.131 57.131 55.603 1.528 19415 7019 1 15 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.683 -0.874 19415 7020 1 15 . 1 1 113 113 PHE H H 113 7.467 7.467 8.157 -0.690 19415 7021 1 15 . 1 1 114 114 THR N N 114 112.302 112.302 114.100 -1.798 19415 7022 1 15 . 1 1 114 114 THR HA H 114 4.577 4.577 4.695 -0.118 19415 7023 1 15 . 1 1 114 114 THR C C 114 172.592 172.592 173.488 -0.896 19415 7024 1 15 . 1 1 114 114 THR CA C 114 57.922 57.922 59.406 -1.484 19415 7025 1 15 . 1 1 114 114 THR CB C 114 72.187 72.187 71.071 1.116 19415 7026 1 15 . 1 1 114 114 THR H H 114 6.895 6.895 7.474 -0.579 19415 7027 1 15 . 1 1 115 115 CYS N N 115 121.388 121.388 121.493 -0.105 19415 7028 1 15 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.309 -0.519 19415 7029 1 15 . 1 1 115 115 CYS C C 115 177.309 177.309 176.810 0.499 19415 7030 1 15 . 1 1 115 115 CYS CA C 115 59.284 59.284 59.950 -0.666 19415 7031 1 15 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.523 3.098 19415 7032 1 15 . 1 1 115 115 CYS H H 115 7.981 7.981 8.311 -0.330 19415 7033 1 15 . 1 1 116 116 SER N N 116 127.333 127.333 122.069 5.264 19415 7034 1 15 . 1 1 116 116 SER HA H 116 4.066 4.066 4.510 -0.444 19415 7035 1 15 . 1 1 116 116 SER C C 116 174.522 174.522 175.226 -0.704 19415 7036 1 15 . 1 1 116 116 SER CA C 116 61.507 61.507 61.348 0.159 19415 7037 1 15 . 1 1 116 116 SER CB C 116 63.619 63.619 63.260 0.359 19415 7038 1 15 . 1 1 116 116 SER H H 116 9.064 9.064 8.825 0.239 19415 7039 1 15 . 1 1 117 117 THR N N 117 121.020 121.020 115.266 5.754 19415 7040 1 15 . 1 1 117 117 THR HA H 117 4.384 4.384 4.501 -0.117 19415 7041 1 15 . 1 1 117 117 THR C C 117 174.713 174.713 175.690 -0.977 19415 7042 1 15 . 1 1 117 117 THR CA C 117 65.378 65.378 63.958 1.420 19415 7043 1 15 . 1 1 117 117 THR CB C 117 69.656 69.656 69.699 -0.043 19415 7044 1 15 . 1 1 117 117 THR H H 117 8.939 8.939 8.275 0.664 19415 7045 1 15 . 1 1 118 118 CYS N N 118 120.215 120.215 117.819 2.396 19415 7046 1 15 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.631 -0.283 19415 7047 1 15 . 1 1 118 118 CYS C C 118 176.041 176.041 174.973 1.068 19415 7048 1 15 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.661 1.826 19415 7049 1 15 . 1 1 118 118 CYS CB C 118 29.824 29.824 28.896 0.927 19415 7050 1 15 . 1 1 118 118 CYS H H 118 8.180 8.180 8.184 -0.004 19415 7051 1 15 . 1 1 119 119 ARG N N 119 114.664 114.664 118.540 -3.876 19415 7052 1 15 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.121 -0.010 19415 7053 1 15 . 1 1 119 119 ARG C C 119 174.910 174.910 174.904 0.006 19415 7054 1 15 . 1 1 119 119 ARG CA C 119 57.573 57.573 57.004 0.569 19415 7055 1 15 . 1 1 119 119 ARG CB C 119 26.358 26.358 28.120 -1.762 19415 7056 1 15 . 1 1 119 119 ARG H H 119 7.545 7.545 8.214 -0.669 19415 7057 1 15 . 1 1 120 120 ASN N N 120 118.962 118.962 118.633 0.329 19415 7058 1 15 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.620 0.132 19415 7059 1 15 . 1 1 120 120 ASN C C 120 175.950 175.950 175.254 0.696 19415 7060 1 15 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.752 -0.248 19415 7061 1 15 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.315 -0.017 19415 7062 1 15 . 1 1 120 120 ASN H H 120 8.232 8.232 7.698 0.534 19415 7063 1 15 . 1 1 121 121 ARG N N 121 122.104 122.104 126.303 -4.199 19415 7064 1 15 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.183 -0.198 19415 7065 1 15 . 1 1 121 121 ARG C C 121 175.638 175.638 176.028 -0.390 19415 7066 1 15 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.645 0.539 19415 7067 1 15 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.170 0.397 19415 7068 1 15 . 1 1 121 121 ARG H H 121 8.603 8.603 8.637 -0.034 19415 7069 1 15 . 1 1 122 122 LEU N N 122 127.225 127.225 128.885 -1.660 19415 7070 1 15 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.240 0.289 19415 7071 1 15 . 1 1 122 122 LEU C C 122 175.345 175.345 175.632 -0.287 19415 7072 1 15 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.588 -1.761 19415 7073 1 15 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.725 -1.153 19415 7074 1 15 . 1 1 122 122 LEU H H 122 8.094 8.094 7.860 0.234 19415 7075 1 15 . 1 1 123 123 VAL N N 123 121.030 121.030 120.139 0.891 19415 7076 1 15 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.502 -0.027 19415 7077 1 15 . 1 1 123 123 VAL C C 123 173.190 173.190 173.753 -0.563 19415 7078 1 15 . 1 1 123 123 VAL CA C 123 59.031 59.031 57.980 1.051 19415 7079 1 15 . 1 1 123 123 VAL CB C 123 31.454 31.454 33.641 -2.187 19415 7080 1 15 . 1 1 123 123 VAL H H 123 8.416 8.416 8.368 0.048 19415 7081 1 15 . 1 1 124 124 PRO HA H 124 3.640 3.640 3.864 -0.224 19415 7082 1 15 . 1 1 124 124 PRO C C 124 177.425 177.425 176.888 0.537 19415 7083 1 15 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.052 0.980 19415 7084 1 15 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.204 1.031 19415 7085 1 15 . 1 1 125 125 GLY N N 125 113.120 113.120 113.263 -0.143 19415 7086 1 15 . 1 1 125 125 GLY C C 125 174.384 174.384 173.805 0.579 19415 7087 1 15 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.959 0.144 19415 7088 1 15 . 1 1 125 125 GLY H H 125 8.574 8.574 8.390 0.184 19415 7089 1 15 . 1 1 126 126 ASP N N 126 122.488 122.488 121.060 1.428 19415 7090 1 15 . 1 1 126 126 ASP HA H 126 4.723 4.723 5.012 -0.289 19415 7091 1 15 . 1 1 126 126 ASP C C 126 176.558 176.558 174.904 1.654 19415 7092 1 15 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.547 1.777 19415 7093 1 15 . 1 1 126 126 ASP CB C 126 41.602 41.602 42.849 -1.247 19415 7094 1 15 . 1 1 126 126 ASP H H 126 8.476 8.476 8.052 0.424 19415 7095 1 15 . 1 1 127 127 ARG N N 127 122.074 122.074 117.935 4.139 19415 7096 1 15 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.345 -0.298 19415 7097 1 15 . 1 1 127 127 ARG C C 127 175.671 175.671 175.725 -0.054 19415 7098 1 15 . 1 1 127 127 ARG CA C 127 55.559 55.559 56.755 -1.196 19415 7099 1 15 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.302 -0.440 19415 7100 1 15 . 1 1 127 127 ARG H H 127 8.697 8.697 8.382 0.315 19415 7101 1 15 . 1 1 128 128 PHE N N 128 120.179 120.179 120.426 -0.247 19415 7102 1 15 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.910 0.284 19415 7103 1 15 . 1 1 128 128 PHE C C 128 171.304 171.304 172.685 -1.381 19415 7104 1 15 . 1 1 128 128 PHE CA C 128 55.427 55.427 57.261 -1.834 19415 7105 1 15 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.500 1.013 19415 7106 1 15 . 1 1 128 128 PHE H H 128 8.869 8.869 8.702 0.167 19415 7107 1 15 . 1 1 129 129 HIS N N 129 118.586 118.586 123.141 -4.555 19415 7108 1 15 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.536 0.145 19415 7109 1 15 . 1 1 129 129 HIS C C 129 173.764 173.764 172.798 0.966 19415 7110 1 15 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.505 0.305 19415 7111 1 15 . 1 1 129 129 HIS CB C 129 34.983 34.983 34.210 0.773 19415 7112 1 15 . 1 1 129 129 HIS H H 129 9.292 9.292 8.925 0.367 19415 7113 1 15 . 1 1 130 130 TYR N N 130 125.995 125.995 127.247 -1.252 19415 7114 1 15 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.393 0.326 19415 7115 1 15 . 1 1 130 130 TYR C C 130 174.625 174.625 174.294 0.331 19415 7116 1 15 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.895 -0.713 19415 7117 1 15 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.362 0.917 19415 7118 1 15 . 1 1 130 130 TYR H H 130 8.865 8.865 8.540 0.325 19415 7119 1 15 . 1 1 131 131 ILE N N 131 126.610 126.610 126.109 0.501 19415 7120 1 15 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.372 -0.049 19415 7121 1 15 . 1 1 131 131 ILE C C 131 175.516 175.516 175.167 0.349 19415 7122 1 15 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.541 -0.814 19415 7123 1 15 . 1 1 131 131 ILE CB C 131 41.170 41.170 41.411 -0.241 19415 7124 1 15 . 1 1 131 131 ILE H H 131 8.889 8.889 8.208 0.681 19415 7125 1 15 . 1 1 132 132 ASN N N 132 126.614 126.614 124.515 2.099 19415 7126 1 15 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.346 0.015 19415 7127 1 15 . 1 1 132 132 ASN C C 132 175.421 175.421 175.486 -0.065 19415 7128 1 15 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.677 0.256 19415 7129 1 15 . 1 1 132 132 ASN CB C 132 37.340 37.340 38.465 -1.125 19415 7130 1 15 . 1 1 132 132 ASN H H 132 9.375 9.375 9.288 0.087 19415 7131 1 15 . 1 1 133 133 GLY N N 133 102.667 102.667 103.696 -1.029 19415 7132 1 15 . 1 1 133 133 GLY C C 133 173.969 173.969 173.388 0.581 19415 7133 1 15 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.354 0.041 19415 7134 1 15 . 1 1 133 133 GLY H H 133 7.417 7.417 8.465 -1.048 19415 7135 1 15 . 1 1 134 134 SER N N 134 117.123 117.123 114.304 2.819 19415 7136 1 15 . 1 1 134 134 SER HA H 134 4.743 4.743 4.389 0.354 19415 7137 1 15 . 1 1 134 134 SER C C 134 170.825 170.825 172.347 -1.522 19415 7138 1 15 . 1 1 134 134 SER CA C 134 57.754 57.754 56.904 0.850 19415 7139 1 15 . 1 1 134 134 SER CB C 134 66.060 66.060 66.117 -0.057 19415 7140 1 15 . 1 1 134 134 SER H H 134 7.639 7.639 6.998 0.641 19415 7141 1 15 . 1 1 135 135 LEU N N 135 122.242 122.242 123.801 -1.559 19415 7142 1 15 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.948 0.266 19415 7143 1 15 . 1 1 135 135 LEU C C 135 177.735 177.735 175.550 2.185 19415 7144 1 15 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.068 -0.638 19415 7145 1 15 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.297 2.388 19415 7146 1 15 . 1 1 135 135 LEU H H 135 8.236 8.236 7.746 0.490 19415 7147 1 15 . 1 1 136 136 PHE N N 136 118.689 118.689 121.035 -2.346 19415 7148 1 15 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.273 0.717 19415 7149 1 15 . 1 1 136 136 PHE C C 136 175.971 175.971 175.533 0.438 19415 7150 1 15 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.029 0.875 19415 7151 1 15 . 1 1 136 136 PHE CB C 136 44.329 44.329 42.939 1.390 19415 7152 1 15 . 1 1 136 136 PHE H H 136 9.221 9.221 8.982 0.239 19415 7153 1 15 . 1 1 137 137 CYS N N 137 121.328 121.328 117.972 3.356 19415 7154 1 15 . 1 1 137 137 CYS HA H 137 4.966 4.966 4.997 -0.031 19415 7155 1 15 . 1 1 137 137 CYS C C 137 175.030 175.030 174.257 0.773 19415 7156 1 15 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.229 1.324 19415 7157 1 15 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.227 -1.002 19415 7158 1 15 . 1 1 137 137 CYS H H 137 9.716 9.716 8.601 1.115 19415 7159 1 15 . 1 1 138 138 GLU N N 138 118.055 118.055 119.994 -1.939 19415 7160 1 15 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.065 0.078 19415 7161 1 15 . 1 1 138 138 GLU C C 138 178.535 178.535 178.524 0.011 19415 7162 1 15 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.560 0.009 19415 7163 1 15 . 1 1 138 138 GLU CB C 138 29.895 29.895 30.094 -0.199 19415 7164 1 15 . 1 1 138 138 GLU H H 138 8.476 8.476 8.930 -0.454 19415 7165 1 15 . 1 1 139 139 HIS N N 139 117.190 117.190 118.472 -1.282 19415 7166 1 15 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.510 -0.080 19415 7167 1 15 . 1 1 139 139 HIS C C 139 175.584 175.584 175.815 -0.231 19415 7168 1 15 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.233 -0.103 19415 7169 1 15 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.110 -1.164 19415 7170 1 15 . 1 1 139 139 HIS H H 139 8.365 8.365 7.756 0.609 19415 7171 1 15 . 1 1 140 140 ASP N N 140 118.373 118.373 117.717 0.656 19415 7172 1 15 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.723 0.233 19415 7173 1 15 . 1 1 140 140 ASP C C 140 174.258 174.258 174.593 -0.335 19415 7174 1 15 . 1 1 140 140 ASP CA C 140 54.319 54.319 53.639 0.680 19415 7175 1 15 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.669 0.648 19415 7176 1 15 . 1 1 140 140 ASP H H 140 8.082 8.082 7.686 0.396 19415 7177 1 15 . 1 1 141 141 ARG N N 141 121.880 121.880 122.063 -0.183 19415 7178 1 15 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.982 -0.366 19415 7179 1 15 . 1 1 141 141 ARG C C 141 173.939 173.939 173.915 0.024 19415 7180 1 15 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.319 -0.597 19415 7181 1 15 . 1 1 141 141 ARG CB C 141 29.423 29.423 29.813 -0.390 19415 7182 1 15 . 1 1 141 141 ARG H H 141 7.120 7.120 6.948 0.172 19415 7183 1 15 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.210 0.040 19415 7184 1 15 . 1 1 142 142 PRO C C 142 176.688 176.688 176.461 0.227 19415 7185 1 15 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.877 -0.178 19415 7186 1 15 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.728 -0.479 19415 7187 1 15 . 1 1 143 143 THR N N 143 115.472 115.472 116.193 -0.721 19415 7188 1 15 . 1 1 143 143 THR HA H 143 3.924 3.924 4.140 -0.216 19415 7189 1 15 . 1 1 143 143 THR C C 143 174.890 174.890 175.620 -0.730 19415 7190 1 15 . 1 1 143 143 THR CA C 143 63.099 63.099 63.738 -0.639 19415 7191 1 15 . 1 1 143 143 THR CB C 143 69.197 69.197 68.668 0.528 19415 7192 1 15 . 1 1 143 143 THR H H 143 8.015 8.015 8.296 -0.281 19415 7193 1 15 . 1 1 144 144 ALA N N 144 124.502 124.502 124.198 0.304 19415 7194 1 15 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.421 -0.221 19415 7195 1 15 . 1 1 144 144 ALA C C 144 177.656 177.656 177.688 -0.032 19415 7196 1 15 . 1 1 144 144 ALA CA C 144 52.807 52.807 51.973 0.834 19415 7197 1 15 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.837 0.168 19415 7198 1 15 . 1 1 144 144 ALA H H 144 8.130 8.130 7.509 0.621 19415 7199 1 15 . 1 1 145 145 LEU N N 145 119.506 119.506 122.074 -2.568 19415 7200 1 15 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.370 -0.094 19415 7201 1 15 . 1 1 145 145 LEU C C 145 177.574 177.574 175.326 2.248 19415 7202 1 15 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.275 0.792 19415 7203 1 15 . 1 1 145 145 LEU CB C 145 42.231 42.231 41.239 0.992 19415 7204 1 15 . 1 1 145 145 LEU H H 145 7.897 7.897 8.161 -0.264 19415 7205 1 15 . 1 1 146 146 ILE N N 146 120.683 120.683 123.486 -2.803 19415 7206 1 15 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.307 -0.252 19415 7207 1 15 . 1 1 146 146 ILE C C 146 176.259 176.259 174.475 1.784 19415 7208 1 15 . 1 1 146 146 ILE CA C 146 61.486 61.486 60.529 0.957 19415 7209 1 15 . 1 1 146 146 ILE CB C 146 38.629 38.629 39.585 -0.956 19415 7210 1 15 . 1 1 146 146 ILE H H 146 7.842 7.842 7.861 -0.019 19415 7211 1 15 . 1 1 405 405 ALA N N 405 133.214 133.214 127.162 6.052 19415 7212 1 15 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.087 0.384 19415 7213 1 15 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.830 -1.012 19415 7214 1 15 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.675 -1.628 19415 7215 1 15 . 1 1 405 405 ALA H H 405 9.651 9.651 8.419 1.232 19415 7216 1 15 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.429 0.158 19415 7217 1 15 . 1 1 406 406 PRO C C 406 174.175 174.175 176.093 -1.918 19415 7218 1 15 . 1 1 406 406 PRO CA C 406 61.942 61.942 63.296 -1.354 19415 7219 1 15 . 1 1 406 406 PRO CB C 406 32.989 32.989 31.827 1.162 19415 7220 1 15 . 1 1 407 407 PHE N N 407 113.077 113.077 114.075 -0.998 19415 7221 1 15 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.125 0.379 19415 7222 1 15 . 1 1 407 407 PHE C C 407 174.954 174.954 173.540 1.414 19415 7223 1 15 . 1 1 407 407 PHE CA C 407 57.263 57.263 57.384 -0.121 19415 7224 1 15 . 1 1 407 407 PHE CB C 407 38.318 38.318 37.818 0.500 19415 7225 1 15 . 1 1 407 407 PHE H H 407 7.899 7.899 7.507 0.392 19415 7226 1 15 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.721 0.032 19415 7227 1 15 . 1 1 408 408 PRO C C 408 175.865 175.865 175.437 0.428 19415 7228 1 15 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.315 0.611 19415 7229 1 15 . 1 1 408 408 PRO CB C 408 33.457 33.457 32.137 1.320 19415 7230 1 15 . 1 1 409 409 GLU N N 409 119.349 119.349 122.831 -3.482 19415 7231 1 15 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.655 0.068 19415 7232 1 15 . 1 1 409 409 GLU C C 409 174.291 174.291 174.653 -0.362 19415 7233 1 15 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.178 0.002 19415 7234 1 15 . 1 1 409 409 GLU CB C 409 34.429 34.429 32.484 1.945 19415 7235 1 15 . 1 1 409 409 GLU H H 409 8.813 8.813 9.037 -0.224 19415 7236 1 15 . 1 1 410 410 ALA N N 410 124.017 124.017 121.826 2.191 19415 7237 1 15 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.598 -0.267 19415 7238 1 15 . 1 1 410 410 ALA C C 410 178.181 178.181 177.245 0.936 19415 7239 1 15 . 1 1 410 410 ALA CA C 410 52.241 52.241 51.554 0.687 19415 7240 1 15 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.911 -0.809 19415 7241 1 15 . 1 1 410 410 ALA H H 410 8.562 8.562 8.301 0.261 19415 7242 1 15 . 1 1 411 411 ALA N N 411 124.837 124.837 127.264 -2.427 19415 7243 1 15 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.458 -0.529 19415 7244 1 15 . 1 1 411 411 ALA C C 411 178.042 178.042 176.841 1.201 19415 7245 1 15 . 1 1 411 411 ALA CA C 411 54.247 54.247 51.055 3.192 19415 7246 1 15 . 1 1 411 411 ALA CB C 411 18.730 18.730 20.120 -1.390 19415 7247 1 15 . 1 1 411 411 ALA H H 411 8.475 8.475 8.247 0.228 19415 7248 1 15 . 1 1 412 412 LEU N N 412 119.893 119.893 120.613 -0.720 19415 7249 1 15 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.366 0.342 19415 7250 1 15 . 1 1 412 412 LEU C C 412 174.281 174.281 174.878 -0.597 19415 7251 1 15 . 1 1 412 412 LEU CA C 412 52.130 52.130 53.709 -1.579 19415 7252 1 15 . 1 1 412 412 LEU CB C 412 42.645 42.645 42.043 0.602 19415 7253 1 15 . 1 1 412 412 LEU H H 412 8.075 8.075 8.184 -0.109 19415 7254 1 15 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.617 -0.164 19415 7255 1 15 . 1 1 413 413 PRO C C 413 177.094 177.094 176.497 0.597 19415 7256 1 15 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.438 0.563 19415 7257 1 15 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.303 -0.124 19415 7258 1 15 . 1 1 414 414 THR N N 414 114.256 114.256 119.915 -5.659 19415 7259 1 15 . 1 1 414 414 THR HA H 414 4.294 4.294 4.340 -0.046 19415 7260 1 15 . 1 1 414 414 THR C C 414 174.480 174.480 175.179 -0.699 19415 7261 1 15 . 1 1 414 414 THR CA C 414 61.757 61.757 62.395 -0.638 19415 7262 1 15 . 1 1 414 414 THR CB C 414 69.712 69.712 69.929 -0.217 19415 7263 1 15 . 1 1 414 414 THR H H 414 8.177 8.177 8.229 -0.052 19415 7264 1 15 . 1 1 415 415 SER N N 415 117.918 117.918 118.586 -0.668 19415 7265 1 15 . 1 1 415 415 SER HA H 415 4.424 4.424 4.266 0.158 19415 7266 1 15 . 1 1 415 415 SER C C 415 173.689 173.689 173.988 -0.299 19415 7267 1 15 . 1 1 415 415 SER CA C 415 58.072 58.072 59.280 -1.208 19415 7268 1 15 . 1 1 415 415 SER CB C 415 63.852 63.852 63.739 0.113 19415 7269 1 15 . 1 1 415 415 SER H H 415 8.193 8.193 8.500 -0.307 19415 7270 1 15 . 1 1 416 416 HIS N N 416 121.537 121.537 120.586 0.951 19415 7271 1 15 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.665 0.277 19415 7272 1 15 . 1 1 416 416 HIS C C 416 172.547 172.547 174.225 -1.678 19415 7273 1 15 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.388 -0.686 19415 7274 1 15 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.000 -0.538 19415 7275 1 15 . 1 1 416 416 HIS H H 416 8.373 8.373 8.421 -0.048 19415 7276 1 15 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.439 -0.018 19415 7277 1 15 . 1 1 417 417 PRO C C 417 176.060 176.060 176.467 -0.407 19415 7278 1 15 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.344 1.104 19415 7279 1 15 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.389 -0.230 19415 7280 1 15 . 1 1 902 902 GLY N N 902 108.524 108.524 108.926 -0.402 19415 7281 1 15 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.492 0.867 19415 7282 1 15 . 1 1 902 902 GLY H H 902 8.196 8.196 8.670 -0.474 19415 7283 1 15 . 1 1 903 903 SER N N 903 115.821 115.821 118.374 -2.553 19415 7284 1 15 . 1 1 903 903 SER HA H 903 4.403 4.403 4.334 0.069 19415 7285 1 15 . 1 1 903 903 SER CA C 903 58.602 58.602 58.349 0.253 19415 7286 1 15 . 1 1 903 903 SER CB C 903 63.762 63.762 62.167 1.595 19415 7287 1 15 . 1 1 903 903 SER H H 903 8.354 8.354 7.688 0.666 19415 7288 1 15 . 1 1 904 904 GLY N N 904 110.847 110.847 116.048 -5.201 19415 7289 1 15 . 1 1 904 904 GLY C C 904 174.889 174.889 176.046 -1.157 19415 7290 1 15 . 1 1 904 904 GLY CA C 904 45.594 45.594 46.085 -0.491 19415 7291 1 15 . 1 1 904 904 GLY H H 904 8.558 8.558 8.426 0.132 19415 7292 1 15 . 1 1 905 905 GLY N N 905 108.922 108.922 111.707 -2.785 19415 7293 1 15 . 1 1 905 905 GLY C C 905 174.452 174.452 174.132 0.320 19415 7294 1 15 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.864 0.685 19415 7295 1 15 . 1 1 905 905 GLY H H 905 8.307 8.307 8.372 -0.065 19415 7296 1 15 . 1 1 906 906 SER N N 906 115.224 115.224 114.549 0.675 19415 7297 1 15 . 1 1 906 906 SER HA H 906 4.552 4.552 4.295 0.257 19415 7298 1 15 . 1 1 906 906 SER C C 906 175.108 175.108 173.833 1.275 19415 7299 1 15 . 1 1 906 906 SER CA C 906 58.647 58.647 58.703 -0.056 19415 7300 1 15 . 1 1 906 906 SER CB C 906 64.091 64.091 61.015 3.076 19415 7301 1 15 . 1 1 906 906 SER H H 906 8.362 8.362 7.569 0.793 19415 7302 1 15 . 1 1 907 907 GLY N N 907 110.875 110.875 107.634 3.241 19415 7303 1 15 . 1 1 907 907 GLY C C 907 173.335 173.335 173.041 0.294 19415 7304 1 15 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.766 0.244 19415 7305 1 15 . 1 1 907 907 GLY H H 907 8.437 8.437 8.203 0.234 19415 7306 1 16 . 1 1 78 78 ILE N N 78 124.415 124.415 120.914 3.501 19415 7307 1 16 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.307 -0.265 19415 7308 1 16 . 1 1 78 78 ILE C C 78 175.260 175.260 174.496 0.764 19415 7309 1 16 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.404 -0.677 19415 7310 1 16 . 1 1 78 78 ILE CB C 78 38.922 38.922 38.674 0.248 19415 7311 1 16 . 1 1 78 78 ILE H H 78 8.025 8.025 7.887 0.138 19415 7312 1 16 . 1 1 79 79 ARG N N 79 125.999 125.999 126.054 -0.055 19415 7313 1 16 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.487 -0.272 19415 7314 1 16 . 1 1 79 79 ARG C C 79 175.494 175.494 174.378 1.116 19415 7315 1 16 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.534 0.322 19415 7316 1 16 . 1 1 79 79 ARG CB C 79 30.774 30.774 31.470 -0.695 19415 7317 1 16 . 1 1 79 79 ARG H H 79 8.249 8.249 8.554 -0.305 19415 7318 1 16 . 1 1 80 80 LEU N N 80 124.427 124.427 119.140 5.287 19415 7319 1 16 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.803 -0.511 19415 7320 1 16 . 1 1 80 80 LEU C C 80 176.785 176.785 176.460 0.325 19415 7321 1 16 . 1 1 80 80 LEU CA C 80 54.820 54.820 54.651 0.169 19415 7322 1 16 . 1 1 80 80 LEU CB C 80 42.520 42.520 44.355 -1.835 19415 7323 1 16 . 1 1 80 80 LEU H H 80 8.190 8.190 7.636 0.554 19415 7324 1 16 . 1 1 81 81 PHE N N 81 120.462 120.462 125.117 -4.655 19415 7325 1 16 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.576 0.048 19415 7326 1 16 . 1 1 81 81 PHE C C 81 176.212 176.212 176.343 -0.131 19415 7327 1 16 . 1 1 81 81 PHE CA C 81 57.570 57.570 57.744 -0.174 19415 7328 1 16 . 1 1 81 81 PHE CB C 81 39.802 39.802 37.857 1.945 19415 7329 1 16 . 1 1 81 81 PHE H H 81 8.244 8.244 9.654 -1.410 19415 7330 1 16 . 1 1 82 82 GLY N N 82 110.003 110.003 113.464 -3.461 19415 7331 1 16 . 1 1 82 82 GLY C C 82 173.730 173.730 174.770 -1.040 19415 7332 1 16 . 1 1 82 82 GLY CA C 82 45.415 45.415 44.994 0.421 19415 7333 1 16 . 1 1 82 82 GLY H H 82 8.351 8.351 8.584 -0.233 19415 7334 1 16 . 1 1 83 83 ASN N N 83 118.840 118.840 117.719 1.121 19415 7335 1 16 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.469 0.325 19415 7336 1 16 . 1 1 83 83 ASN C C 83 175.312 175.312 173.511 1.801 19415 7337 1 16 . 1 1 83 83 ASN CA C 83 52.996 52.996 54.294 -1.298 19415 7338 1 16 . 1 1 83 83 ASN CB C 83 39.137 39.137 37.567 1.570 19415 7339 1 16 . 1 1 83 83 ASN H H 83 8.325 8.325 7.975 0.350 19415 7340 1 16 . 1 1 84 84 SER N N 84 116.555 116.555 115.970 0.585 19415 7341 1 16 . 1 1 84 84 SER CA C 84 58.823 58.823 57.614 1.209 19415 7342 1 16 . 1 1 84 84 SER CB C 84 63.887 63.887 64.655 -0.768 19415 7343 1 16 . 1 1 84 84 SER H H 84 8.463 8.463 7.863 0.600 19415 7344 1 16 . 1 1 85 85 GLY N N 85 109.826 109.826 112.184 -2.358 19415 7345 1 16 . 1 1 85 85 GLY C C 85 172.709 172.709 172.615 0.094 19415 7346 1 16 . 1 1 85 85 GLY CA C 85 45.153 45.153 44.931 0.223 19415 7347 1 16 . 1 1 85 85 GLY H H 85 8.341 8.341 8.436 -0.095 19415 7348 1 16 . 1 1 86 86 ALA N N 86 122.100 122.100 125.105 -3.005 19415 7349 1 16 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.768 -0.321 19415 7350 1 16 . 1 1 86 86 ALA C C 86 175.383 175.383 175.461 -0.078 19415 7351 1 16 . 1 1 86 86 ALA CA C 86 50.523 50.523 51.617 -1.094 19415 7352 1 16 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.822 -1.110 19415 7353 1 16 . 1 1 86 86 ALA H H 86 7.703 7.703 8.065 -0.362 19415 7354 1 16 . 1 1 87 87 CYS N N 87 121.922 121.922 121.020 0.902 19415 7355 1 16 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.863 -0.666 19415 7356 1 16 . 1 1 87 87 CYS C C 87 178.454 178.454 175.227 3.227 19415 7357 1 16 . 1 1 87 87 CYS CA C 87 58.515 58.515 56.476 2.039 19415 7358 1 16 . 1 1 87 87 CYS CB C 87 31.600 31.600 30.341 1.259 19415 7359 1 16 . 1 1 87 87 CYS H H 87 7.968 7.968 8.266 -0.298 19415 7360 1 16 . 1 1 88 88 SER N N 88 126.804 126.804 118.771 8.033 19415 7361 1 16 . 1 1 88 88 SER HA H 88 4.174 4.174 4.360 -0.186 19415 7362 1 16 . 1 1 88 88 SER C C 88 173.647 173.647 175.511 -1.864 19415 7363 1 16 . 1 1 88 88 SER CA C 88 62.158 62.158 60.510 1.648 19415 7364 1 16 . 1 1 88 88 SER CB C 88 63.401 63.401 62.810 0.591 19415 7365 1 16 . 1 1 88 88 SER H H 88 9.202 9.202 8.327 0.875 19415 7366 1 16 . 1 1 89 89 ALA N N 89 123.763 123.763 123.675 0.088 19415 7367 1 16 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.448 0.388 19415 7368 1 16 . 1 1 89 89 ALA C C 89 178.007 178.007 178.663 -0.656 19415 7369 1 16 . 1 1 89 89 ALA CA C 89 53.933 53.933 54.468 -0.535 19415 7370 1 16 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.150 2.095 19415 7371 1 16 . 1 1 89 89 ALA H H 89 8.964 8.964 7.761 1.203 19415 7372 1 16 . 1 1 90 90 CYS N N 90 115.099 115.099 113.290 1.809 19415 7373 1 16 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.732 0.300 19415 7374 1 16 . 1 1 90 90 CYS C C 90 177.164 177.164 176.085 1.079 19415 7375 1 16 . 1 1 90 90 CYS CA C 90 58.754 58.754 59.043 -0.289 19415 7376 1 16 . 1 1 90 90 CYS CB C 90 31.688 31.688 28.590 3.098 19415 7377 1 16 . 1 1 90 90 CYS H H 90 8.078 8.078 7.778 0.300 19415 7378 1 16 . 1 1 91 91 GLY N N 91 112.869 112.869 108.039 4.830 19415 7379 1 16 . 1 1 91 91 GLY C C 91 173.725 173.725 173.383 0.342 19415 7380 1 16 . 1 1 91 91 GLY CA C 91 46.303 46.303 44.610 1.693 19415 7381 1 16 . 1 1 91 91 GLY H H 91 7.996 7.996 8.379 -0.383 19415 7382 1 16 . 1 1 92 92 GLN N N 92 119.848 119.848 120.953 -1.105 19415 7383 1 16 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.585 -0.010 19415 7384 1 16 . 1 1 92 92 GLN C C 92 176.015 176.015 175.530 0.485 19415 7385 1 16 . 1 1 92 92 GLN CA C 92 54.954 54.954 54.747 0.207 19415 7386 1 16 . 1 1 92 92 GLN CB C 92 30.026 30.026 30.266 -0.240 19415 7387 1 16 . 1 1 92 92 GLN H H 92 8.341 8.341 7.894 0.447 19415 7388 1 16 . 1 1 93 93 SER N N 93 116.734 116.734 117.672 -0.938 19415 7389 1 16 . 1 1 93 93 SER C C 93 173.776 173.776 174.586 -0.810 19415 7390 1 16 . 1 1 93 93 SER CA C 93 59.491 59.491 58.414 1.077 19415 7391 1 16 . 1 1 93 93 SER CB C 93 63.707 63.707 64.103 -0.396 19415 7392 1 16 . 1 1 93 93 SER H H 93 8.656 8.656 8.570 0.086 19415 7393 1 16 . 1 1 94 94 ILE N N 94 126.045 126.045 121.394 4.651 19415 7394 1 16 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.670 -0.328 19415 7395 1 16 . 1 1 94 94 ILE CA C 94 58.525 58.525 59.061 -0.536 19415 7396 1 16 . 1 1 94 94 ILE CB C 94 39.907 39.907 39.142 0.765 19415 7397 1 16 . 1 1 94 94 ILE H H 94 8.281 8.281 8.687 -0.406 19415 7398 1 16 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.581 -0.108 19415 7399 1 16 . 1 1 95 95 PRO C C 95 176.605 176.605 177.472 -0.867 19415 7400 1 16 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.010 0.842 19415 7401 1 16 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.061 0.730 19415 7402 1 16 . 1 1 96 96 ALA N N 96 122.591 122.591 123.260 -0.669 19415 7403 1 16 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.117 -0.117 19415 7404 1 16 . 1 1 96 96 ALA C C 96 177.763 177.763 177.560 0.203 19415 7405 1 16 . 1 1 96 96 ALA CA C 96 54.605 54.605 54.070 0.535 19415 7406 1 16 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.313 0.793 19415 7407 1 16 . 1 1 96 96 ALA H H 96 8.400 8.400 8.577 -0.177 19415 7408 1 16 . 1 1 97 97 SER N N 97 107.288 107.288 112.047 -4.759 19415 7409 1 16 . 1 1 97 97 SER HA H 97 4.270 4.270 4.511 -0.241 19415 7410 1 16 . 1 1 97 97 SER C C 97 174.625 174.625 174.396 0.229 19415 7411 1 16 . 1 1 97 97 SER CA C 97 58.532 58.532 58.564 -0.032 19415 7412 1 16 . 1 1 97 97 SER CB C 97 63.538 63.538 63.637 -0.099 19415 7413 1 16 . 1 1 97 97 SER H H 97 7.796 7.796 8.190 -0.394 19415 7414 1 16 . 1 1 98 98 GLU N N 98 124.231 124.231 122.436 1.795 19415 7415 1 16 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.572 -0.315 19415 7416 1 16 . 1 1 98 98 GLU C C 98 175.476 175.476 174.786 0.690 19415 7417 1 16 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.426 1.095 19415 7418 1 16 . 1 1 98 98 GLU CB C 98 31.081 31.081 32.428 -1.347 19415 7419 1 16 . 1 1 98 98 GLU H H 98 7.649 7.649 7.597 0.052 19415 7420 1 16 . 1 1 99 99 LEU N N 99 122.696 122.696 120.402 2.294 19415 7421 1 16 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.738 -0.233 19415 7422 1 16 . 1 1 99 99 LEU C C 99 176.253 176.253 175.518 0.735 19415 7423 1 16 . 1 1 99 99 LEU CA C 99 54.635 54.635 53.839 0.796 19415 7424 1 16 . 1 1 99 99 LEU CB C 99 42.967 42.967 44.723 -1.756 19415 7425 1 16 . 1 1 99 99 LEU H H 99 8.250 8.250 8.319 -0.069 19415 7426 1 16 . 1 1 100 100 VAL N N 100 112.933 112.933 116.202 -3.269 19415 7427 1 16 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.830 0.073 19415 7428 1 16 . 1 1 100 100 VAL C C 100 175.544 175.544 174.461 1.083 19415 7429 1 16 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.054 -0.307 19415 7430 1 16 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.350 1.548 19415 7431 1 16 . 1 1 100 100 VAL H H 100 8.934 8.934 9.001 -0.067 19415 7432 1 16 . 1 1 101 101 MET N N 101 116.964 116.964 123.129 -6.165 19415 7433 1 16 . 1 1 101 101 MET HA H 101 4.676 4.676 4.628 0.048 19415 7434 1 16 . 1 1 101 101 MET C C 101 175.197 175.197 174.795 0.402 19415 7435 1 16 . 1 1 101 101 MET CA C 101 52.397 52.397 54.123 -1.726 19415 7436 1 16 . 1 1 101 101 MET CB C 101 34.490 34.490 33.504 0.986 19415 7437 1 16 . 1 1 101 101 MET H H 101 8.299 8.299 9.008 -0.709 19415 7438 1 16 . 1 1 102 102 ARG N N 102 122.278 122.278 127.233 -4.955 19415 7439 1 16 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.230 0.924 19415 7440 1 16 . 1 1 102 102 ARG C C 102 175.008 175.008 174.667 0.341 19415 7441 1 16 . 1 1 102 102 ARG CA C 102 54.850 54.850 56.005 -1.155 19415 7442 1 16 . 1 1 102 102 ARG CB C 102 32.335 32.335 31.564 0.771 19415 7443 1 16 . 1 1 102 102 ARG H H 102 8.112 8.112 8.554 -0.442 19415 7444 1 16 . 1 1 103 103 ALA N N 103 123.373 123.373 128.094 -4.721 19415 7445 1 16 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.624 -0.025 19415 7446 1 16 . 1 1 103 103 ALA C C 103 176.137 176.137 176.299 -0.162 19415 7447 1 16 . 1 1 103 103 ALA CA C 103 52.049 52.049 50.339 1.710 19415 7448 1 16 . 1 1 103 103 ALA CB C 103 21.835 21.835 20.622 1.213 19415 7449 1 16 . 1 1 103 103 ALA H H 103 8.129 8.129 8.701 -0.572 19415 7450 1 16 . 1 1 104 104 GLN N N 104 120.352 120.352 120.807 -0.455 19415 7451 1 16 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.202 -0.400 19415 7452 1 16 . 1 1 104 104 GLN C C 104 175.032 175.032 177.296 -2.264 19415 7453 1 16 . 1 1 104 104 GLN CA C 104 56.385 56.385 56.418 -0.033 19415 7454 1 16 . 1 1 104 104 GLN CB C 104 25.801 25.801 27.371 -1.570 19415 7455 1 16 . 1 1 104 104 GLN H H 104 9.312 9.312 8.280 1.032 19415 7456 1 16 . 1 1 105 105 GLY N N 105 105.580 105.580 114.290 -8.710 19415 7457 1 16 . 1 1 105 105 GLY C C 105 173.414 173.414 174.189 -0.775 19415 7458 1 16 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.213 0.262 19415 7459 1 16 . 1 1 105 105 GLY H H 105 8.493 8.493 8.518 -0.025 19415 7460 1 16 . 1 1 106 106 ASN N N 106 120.347 120.347 121.859 -1.512 19415 7461 1 16 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.666 0.154 19415 7462 1 16 . 1 1 106 106 ASN C C 106 174.060 174.060 173.575 0.485 19415 7463 1 16 . 1 1 106 106 ASN CA C 106 51.777 51.777 53.443 -1.666 19415 7464 1 16 . 1 1 106 106 ASN CB C 106 41.604 41.604 39.950 1.654 19415 7465 1 16 . 1 1 106 106 ASN H H 106 8.085 8.085 7.605 0.480 19415 7466 1 16 . 1 1 107 107 VAL N N 107 118.992 118.992 115.139 3.853 19415 7467 1 16 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.749 0.025 19415 7468 1 16 . 1 1 107 107 VAL C C 107 173.066 173.066 173.905 -0.839 19415 7469 1 16 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.231 0.345 19415 7470 1 16 . 1 1 107 107 VAL CB C 107 34.475 34.475 34.268 0.207 19415 7471 1 16 . 1 1 107 107 VAL H H 107 8.207 8.207 7.985 0.222 19415 7472 1 16 . 1 1 108 108 TYR N N 108 121.397 121.397 118.971 2.426 19415 7473 1 16 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.828 1.102 19415 7474 1 16 . 1 1 108 108 TYR C C 108 177.709 177.709 175.336 2.373 19415 7475 1 16 . 1 1 108 108 TYR CA C 108 56.002 56.002 55.964 0.038 19415 7476 1 16 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.342 0.596 19415 7477 1 16 . 1 1 108 108 TYR H H 108 8.681 8.681 8.333 0.348 19415 7478 1 16 . 1 1 109 109 HIS N N 109 120.399 120.399 119.670 0.729 19415 7479 1 16 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.710 0.047 19415 7480 1 16 . 1 1 109 109 HIS C C 109 178.297 178.297 176.861 1.436 19415 7481 1 16 . 1 1 109 109 HIS CA C 109 59.269 59.269 57.522 1.748 19415 7482 1 16 . 1 1 109 109 HIS CB C 109 31.439 31.439 30.961 0.478 19415 7483 1 16 . 1 1 109 109 HIS H H 109 8.681 8.681 8.731 -0.050 19415 7484 1 16 . 1 1 110 110 LEU N N 110 124.629 124.629 120.268 4.361 19415 7485 1 16 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.065 -0.183 19415 7486 1 16 . 1 1 110 110 LEU C C 110 180.956 180.956 178.715 2.241 19415 7487 1 16 . 1 1 110 110 LEU CA C 110 60.072 60.072 58.338 1.734 19415 7488 1 16 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.022 -1.540 19415 7489 1 16 . 1 1 110 110 LEU H H 110 8.924 8.924 8.282 0.642 19415 7490 1 16 . 1 1 111 111 LYS N N 111 112.542 112.542 114.857 -2.315 19415 7491 1 16 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.261 -0.265 19415 7492 1 16 . 1 1 111 111 LYS C C 111 176.711 176.711 176.032 0.679 19415 7493 1 16 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.044 -0.106 19415 7494 1 16 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.456 0.253 19415 7495 1 16 . 1 1 111 111 LYS H H 111 8.586 8.586 8.545 0.041 19415 7496 1 16 . 1 1 112 112 CYS N N 112 117.897 117.897 116.876 1.021 19415 7497 1 16 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.682 -0.290 19415 7498 1 16 . 1 1 112 112 CYS C C 112 173.923 173.923 175.717 -1.794 19415 7499 1 16 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.789 1.466 19415 7500 1 16 . 1 1 112 112 CYS CB C 112 31.434 31.434 27.681 3.753 19415 7501 1 16 . 1 1 112 112 CYS H H 112 7.439 7.439 7.347 0.092 19415 7502 1 16 . 1 1 113 113 PHE N N 113 126.150 126.150 125.839 0.311 19415 7503 1 16 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.307 -0.226 19415 7504 1 16 . 1 1 113 113 PHE C C 113 172.777 172.777 173.647 -0.870 19415 7505 1 16 . 1 1 113 113 PHE CA C 113 57.131 57.131 57.459 -0.328 19415 7506 1 16 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.263 -0.454 19415 7507 1 16 . 1 1 113 113 PHE H H 113 7.467 7.467 8.744 -1.277 19415 7508 1 16 . 1 1 114 114 THR N N 114 112.302 112.302 115.265 -2.963 19415 7509 1 16 . 1 1 114 114 THR HA H 114 4.577 4.577 4.928 -0.351 19415 7510 1 16 . 1 1 114 114 THR C C 114 172.592 172.592 173.475 -0.883 19415 7511 1 16 . 1 1 114 114 THR CA C 114 57.922 57.922 59.170 -1.248 19415 7512 1 16 . 1 1 114 114 THR CB C 114 72.187 72.187 71.859 0.328 19415 7513 1 16 . 1 1 114 114 THR H H 114 6.895 6.895 7.665 -0.770 19415 7514 1 16 . 1 1 115 115 CYS N N 115 121.388 121.388 120.398 0.990 19415 7515 1 16 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.228 -0.438 19415 7516 1 16 . 1 1 115 115 CYS C C 115 177.309 177.309 176.334 0.975 19415 7517 1 16 . 1 1 115 115 CYS CA C 115 59.284 59.284 59.878 -0.594 19415 7518 1 16 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.278 3.343 19415 7519 1 16 . 1 1 115 115 CYS H H 115 7.981 7.981 8.407 -0.426 19415 7520 1 16 . 1 1 116 116 SER N N 116 127.333 127.333 122.347 4.986 19415 7521 1 16 . 1 1 116 116 SER HA H 116 4.066 4.066 4.586 -0.520 19415 7522 1 16 . 1 1 116 116 SER C C 116 174.522 174.522 175.058 -0.536 19415 7523 1 16 . 1 1 116 116 SER CA C 116 61.507 61.507 59.959 1.548 19415 7524 1 16 . 1 1 116 116 SER CB C 116 63.619 63.619 62.808 0.811 19415 7525 1 16 . 1 1 116 116 SER H H 116 9.064 9.064 8.863 0.201 19415 7526 1 16 . 1 1 117 117 THR N N 117 121.020 121.020 116.157 4.863 19415 7527 1 16 . 1 1 117 117 THR HA H 117 4.384 4.384 4.473 -0.089 19415 7528 1 16 . 1 1 117 117 THR C C 117 174.713 174.713 175.558 -0.845 19415 7529 1 16 . 1 1 117 117 THR CA C 117 65.378 65.378 64.408 0.970 19415 7530 1 16 . 1 1 117 117 THR CB C 117 69.656 69.656 70.186 -0.530 19415 7531 1 16 . 1 1 117 117 THR H H 117 8.939 8.939 8.169 0.770 19415 7532 1 16 . 1 1 118 118 CYS N N 118 120.215 120.215 116.497 3.718 19415 7533 1 16 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.849 -0.501 19415 7534 1 16 . 1 1 118 118 CYS C C 118 176.041 176.041 174.057 1.984 19415 7535 1 16 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.970 1.517 19415 7536 1 16 . 1 1 118 118 CYS CB C 118 29.824 29.824 28.680 1.144 19415 7537 1 16 . 1 1 118 118 CYS H H 118 8.180 8.180 7.920 0.260 19415 7538 1 16 . 1 1 119 119 ARG N N 119 114.664 114.664 118.471 -3.807 19415 7539 1 16 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.117 -0.006 19415 7540 1 16 . 1 1 119 119 ARG C C 119 174.910 174.910 174.913 -0.003 19415 7541 1 16 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.556 1.017 19415 7542 1 16 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.706 -1.348 19415 7543 1 16 . 1 1 119 119 ARG H H 119 7.545 7.545 7.903 -0.358 19415 7544 1 16 . 1 1 120 120 ASN N N 120 118.962 118.962 117.520 1.442 19415 7545 1 16 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.678 0.074 19415 7546 1 16 . 1 1 120 120 ASN C C 120 175.950 175.950 175.229 0.721 19415 7547 1 16 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.130 0.374 19415 7548 1 16 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.416 -0.118 19415 7549 1 16 . 1 1 120 120 ASN H H 120 8.232 8.232 8.074 0.158 19415 7550 1 16 . 1 1 121 121 ARG N N 121 122.104 122.104 124.061 -1.957 19415 7551 1 16 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.415 -0.430 19415 7552 1 16 . 1 1 121 121 ARG C C 121 175.638 175.638 176.316 -0.678 19415 7553 1 16 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.379 0.805 19415 7554 1 16 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.285 0.282 19415 7555 1 16 . 1 1 121 121 ARG H H 121 8.603 8.603 8.549 0.054 19415 7556 1 16 . 1 1 122 122 LEU N N 122 127.225 127.225 128.260 -1.035 19415 7557 1 16 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.283 0.246 19415 7558 1 16 . 1 1 122 122 LEU C C 122 175.345 175.345 175.478 -0.133 19415 7559 1 16 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.376 -1.549 19415 7560 1 16 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.785 -1.213 19415 7561 1 16 . 1 1 122 122 LEU H H 122 8.094 8.094 7.668 0.426 19415 7562 1 16 . 1 1 123 123 VAL N N 123 121.030 121.030 121.096 -0.066 19415 7563 1 16 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.510 -0.035 19415 7564 1 16 . 1 1 123 123 VAL C C 123 173.190 173.190 173.723 -0.533 19415 7565 1 16 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.178 0.853 19415 7566 1 16 . 1 1 123 123 VAL CB C 123 31.454 31.454 33.751 -2.297 19415 7567 1 16 . 1 1 123 123 VAL H H 123 8.416 8.416 8.560 -0.144 19415 7568 1 16 . 1 1 124 124 PRO HA H 124 3.640 3.640 3.881 -0.241 19415 7569 1 16 . 1 1 124 124 PRO C C 124 177.425 177.425 177.268 0.157 19415 7570 1 16 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.340 0.692 19415 7571 1 16 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.098 1.137 19415 7572 1 16 . 1 1 125 125 GLY N N 125 113.120 113.120 114.951 -1.831 19415 7573 1 16 . 1 1 125 125 GLY C C 125 174.384 174.384 173.919 0.465 19415 7574 1 16 . 1 1 125 125 GLY CA C 125 45.103 45.103 45.029 0.074 19415 7575 1 16 . 1 1 125 125 GLY H H 125 8.574 8.574 8.482 0.092 19415 7576 1 16 . 1 1 126 126 ASP N N 126 122.488 122.488 119.104 3.384 19415 7577 1 16 . 1 1 126 126 ASP HA H 126 4.723 4.723 5.012 -0.289 19415 7578 1 16 . 1 1 126 126 ASP C C 126 176.558 176.558 174.900 1.658 19415 7579 1 16 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.676 1.648 19415 7580 1 16 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.561 -1.959 19415 7581 1 16 . 1 1 126 126 ASP H H 126 8.476 8.476 8.326 0.150 19415 7582 1 16 . 1 1 127 127 ARG N N 127 122.074 122.074 118.651 3.423 19415 7583 1 16 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.403 -0.356 19415 7584 1 16 . 1 1 127 127 ARG C C 127 175.671 175.671 176.384 -0.713 19415 7585 1 16 . 1 1 127 127 ARG CA C 127 55.559 55.559 56.124 -0.566 19415 7586 1 16 . 1 1 127 127 ARG CB C 127 30.862 30.862 29.872 0.990 19415 7587 1 16 . 1 1 127 127 ARG H H 127 8.697 8.697 8.519 0.178 19415 7588 1 16 . 1 1 128 128 PHE N N 128 120.179 120.179 122.177 -1.998 19415 7589 1 16 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.924 0.270 19415 7590 1 16 . 1 1 128 128 PHE C C 128 171.304 171.304 172.874 -1.570 19415 7591 1 16 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.750 -1.323 19415 7592 1 16 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.836 0.677 19415 7593 1 16 . 1 1 128 128 PHE H H 128 8.869 8.869 9.085 -0.216 19415 7594 1 16 . 1 1 129 129 HIS N N 129 118.586 118.586 120.884 -2.298 19415 7595 1 16 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.506 0.175 19415 7596 1 16 . 1 1 129 129 HIS C C 129 173.764 173.764 173.045 0.719 19415 7597 1 16 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.737 0.073 19415 7598 1 16 . 1 1 129 129 HIS CB C 129 34.983 34.983 34.719 0.264 19415 7599 1 16 . 1 1 129 129 HIS H H 129 9.292 9.292 8.499 0.793 19415 7600 1 16 . 1 1 130 130 TYR N N 130 125.995 125.995 127.338 -1.343 19415 7601 1 16 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.402 0.317 19415 7602 1 16 . 1 1 130 130 TYR C C 130 174.625 174.625 174.408 0.217 19415 7603 1 16 . 1 1 130 130 TYR CA C 130 56.182 56.182 57.061 -0.879 19415 7604 1 16 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.448 0.831 19415 7605 1 16 . 1 1 130 130 TYR H H 130 8.865 8.865 8.591 0.274 19415 7606 1 16 . 1 1 131 131 ILE N N 131 126.610 126.610 127.039 -0.429 19415 7607 1 16 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.265 0.058 19415 7608 1 16 . 1 1 131 131 ILE C C 131 175.516 175.516 174.804 0.712 19415 7609 1 16 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.616 -0.889 19415 7610 1 16 . 1 1 131 131 ILE CB C 131 41.170 41.170 40.641 0.529 19415 7611 1 16 . 1 1 131 131 ILE H H 131 8.889 8.889 8.741 0.148 19415 7612 1 16 . 1 1 132 132 ASN N N 132 126.614 126.614 122.701 3.913 19415 7613 1 16 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.455 -0.094 19415 7614 1 16 . 1 1 132 132 ASN C C 132 175.421 175.421 175.653 -0.232 19415 7615 1 16 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.731 0.202 19415 7616 1 16 . 1 1 132 132 ASN CB C 132 37.340 37.340 38.071 -0.731 19415 7617 1 16 . 1 1 132 132 ASN H H 132 9.375 9.375 9.140 0.235 19415 7618 1 16 . 1 1 133 133 GLY N N 133 102.667 102.667 102.299 0.368 19415 7619 1 16 . 1 1 133 133 GLY C C 133 173.969 173.969 173.045 0.924 19415 7620 1 16 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.416 -0.021 19415 7621 1 16 . 1 1 133 133 GLY H H 133 7.417 7.417 8.315 -0.898 19415 7622 1 16 . 1 1 134 134 SER N N 134 117.123 117.123 113.163 3.960 19415 7623 1 16 . 1 1 134 134 SER HA H 134 4.743 4.743 4.419 0.324 19415 7624 1 16 . 1 1 134 134 SER C C 134 170.825 170.825 172.327 -1.502 19415 7625 1 16 . 1 1 134 134 SER CA C 134 57.754 57.754 56.835 0.919 19415 7626 1 16 . 1 1 134 134 SER CB C 134 66.060 66.060 66.098 -0.038 19415 7627 1 16 . 1 1 134 134 SER H H 134 7.639 7.639 6.707 0.932 19415 7628 1 16 . 1 1 135 135 LEU N N 135 122.242 122.242 123.220 -0.978 19415 7629 1 16 . 1 1 135 135 LEU HA H 135 5.214 5.214 5.245 -0.031 19415 7630 1 16 . 1 1 135 135 LEU C C 135 177.735 177.735 175.478 2.257 19415 7631 1 16 . 1 1 135 135 LEU CA C 135 53.429 53.429 53.996 -0.567 19415 7632 1 16 . 1 1 135 135 LEU CB C 135 44.685 44.685 43.177 1.508 19415 7633 1 16 . 1 1 135 135 LEU H H 135 8.236 8.236 8.162 0.074 19415 7634 1 16 . 1 1 136 136 PHE N N 136 118.689 118.689 121.203 -2.514 19415 7635 1 16 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.001 0.989 19415 7636 1 16 . 1 1 136 136 PHE C C 136 175.971 175.971 175.110 0.861 19415 7637 1 16 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.062 0.841 19415 7638 1 16 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.184 1.145 19415 7639 1 16 . 1 1 136 136 PHE H H 136 9.221 9.221 8.876 0.345 19415 7640 1 16 . 1 1 137 137 CYS N N 137 121.328 121.328 118.092 3.236 19415 7641 1 16 . 1 1 137 137 CYS HA H 137 4.966 4.966 4.758 0.208 19415 7642 1 16 . 1 1 137 137 CYS C C 137 175.030 175.030 175.296 -0.266 19415 7643 1 16 . 1 1 137 137 CYS CA C 137 57.553 57.553 58.243 -0.690 19415 7644 1 16 . 1 1 137 137 CYS CB C 137 30.225 30.225 30.136 0.089 19415 7645 1 16 . 1 1 137 137 CYS H H 137 9.716 9.716 9.715 0.001 19415 7646 1 16 . 1 1 138 138 GLU N N 138 118.055 118.055 120.872 -2.817 19415 7647 1 16 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.127 0.016 19415 7648 1 16 . 1 1 138 138 GLU C C 138 178.535 178.535 177.410 1.125 19415 7649 1 16 . 1 1 138 138 GLU CA C 138 59.569 59.569 58.876 0.693 19415 7650 1 16 . 1 1 138 138 GLU CB C 138 29.895 29.895 30.139 -0.244 19415 7651 1 16 . 1 1 138 138 GLU H H 138 8.476 8.476 8.936 -0.460 19415 7652 1 16 . 1 1 139 139 HIS N N 139 117.190 117.190 117.427 -0.237 19415 7653 1 16 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.458 -0.028 19415 7654 1 16 . 1 1 139 139 HIS C C 139 175.584 175.584 175.544 0.040 19415 7655 1 16 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.527 -0.397 19415 7656 1 16 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.031 -1.085 19415 7657 1 16 . 1 1 139 139 HIS H H 139 8.365 8.365 7.980 0.385 19415 7658 1 16 . 1 1 140 140 ASP N N 140 118.373 118.373 116.885 1.488 19415 7659 1 16 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.417 0.539 19415 7660 1 16 . 1 1 140 140 ASP C C 140 174.258 174.258 175.122 -0.864 19415 7661 1 16 . 1 1 140 140 ASP CA C 140 54.319 54.319 52.721 1.598 19415 7662 1 16 . 1 1 140 140 ASP CB C 140 42.317 42.317 40.371 1.946 19415 7663 1 16 . 1 1 140 140 ASP H H 140 8.082 8.082 8.182 -0.100 19415 7664 1 16 . 1 1 141 141 ARG N N 141 121.880 121.880 121.745 0.135 19415 7665 1 16 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.950 -0.334 19415 7666 1 16 . 1 1 141 141 ARG C C 141 173.939 173.939 174.062 -0.123 19415 7667 1 16 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.828 -1.106 19415 7668 1 16 . 1 1 141 141 ARG CB C 141 29.423 29.423 30.202 -0.779 19415 7669 1 16 . 1 1 141 141 ARG H H 141 7.120 7.120 7.653 -0.533 19415 7670 1 16 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.428 -0.178 19415 7671 1 16 . 1 1 142 142 PRO C C 142 176.688 176.688 177.181 -0.493 19415 7672 1 16 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.192 0.507 19415 7673 1 16 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.966 -0.717 19415 7674 1 16 . 1 1 143 143 THR N N 143 115.472 115.472 117.546 -2.074 19415 7675 1 16 . 1 1 143 143 THR HA H 143 3.924 3.924 3.982 -0.058 19415 7676 1 16 . 1 1 143 143 THR C C 143 174.890 174.890 174.990 -0.100 19415 7677 1 16 . 1 1 143 143 THR CA C 143 63.099 63.099 63.685 -0.586 19415 7678 1 16 . 1 1 143 143 THR CB C 143 69.197 69.197 68.568 0.629 19415 7679 1 16 . 1 1 143 143 THR H H 143 8.015 8.015 8.487 -0.472 19415 7680 1 16 . 1 1 144 144 ALA N N 144 124.502 124.502 123.475 1.027 19415 7681 1 16 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.407 -0.207 19415 7682 1 16 . 1 1 144 144 ALA C C 144 177.656 177.656 176.810 0.846 19415 7683 1 16 . 1 1 144 144 ALA CA C 144 52.807 52.807 52.341 0.466 19415 7684 1 16 . 1 1 144 144 ALA CB C 144 19.005 19.005 19.595 -0.590 19415 7685 1 16 . 1 1 144 144 ALA H H 144 8.130 8.130 7.691 0.439 19415 7686 1 16 . 1 1 145 145 LEU N N 145 119.506 119.506 121.060 -1.554 19415 7687 1 16 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.502 -0.226 19415 7688 1 16 . 1 1 145 145 LEU C C 145 177.574 177.574 174.715 2.859 19415 7689 1 16 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.183 0.884 19415 7690 1 16 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.112 0.119 19415 7691 1 16 . 1 1 145 145 LEU H H 145 7.897 7.897 7.149 0.748 19415 7692 1 16 . 1 1 146 146 ILE N N 146 120.683 120.683 117.885 2.798 19415 7693 1 16 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.332 -0.277 19415 7694 1 16 . 1 1 146 146 ILE C C 146 176.259 176.259 174.739 1.520 19415 7695 1 16 . 1 1 146 146 ILE CA C 146 61.486 61.486 59.768 1.718 19415 7696 1 16 . 1 1 146 146 ILE CB C 146 38.629 38.629 40.912 -2.283 19415 7697 1 16 . 1 1 146 146 ILE H H 146 7.842 7.842 7.755 0.087 19415 7698 1 16 . 1 1 405 405 ALA N N 405 133.214 133.214 127.675 5.539 19415 7699 1 16 . 1 1 405 405 ALA HA H 405 4.471 4.471 3.967 0.504 19415 7700 1 16 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.310 -0.492 19415 7701 1 16 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.846 -1.799 19415 7702 1 16 . 1 1 405 405 ALA H H 405 9.651 9.651 8.895 0.756 19415 7703 1 16 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.219 0.368 19415 7704 1 16 . 1 1 406 406 PRO C C 406 174.175 174.175 176.678 -2.503 19415 7705 1 16 . 1 1 406 406 PRO CA C 406 61.942 61.942 64.539 -2.597 19415 7706 1 16 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.084 0.905 19415 7707 1 16 . 1 1 407 407 PHE N N 407 113.077 113.077 111.883 1.194 19415 7708 1 16 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.470 0.034 19415 7709 1 16 . 1 1 407 407 PHE C C 407 174.954 174.954 172.855 2.099 19415 7710 1 16 . 1 1 407 407 PHE CA C 407 57.263 57.263 56.759 0.504 19415 7711 1 16 . 1 1 407 407 PHE CB C 407 38.318 38.318 39.737 -1.419 19415 7712 1 16 . 1 1 407 407 PHE H H 407 7.899 7.899 7.670 0.229 19415 7713 1 16 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.468 0.285 19415 7714 1 16 . 1 1 408 408 PRO C C 408 175.865 175.865 175.303 0.562 19415 7715 1 16 . 1 1 408 408 PRO CA C 408 62.926 62.926 63.105 -0.179 19415 7716 1 16 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.913 1.544 19415 7717 1 16 . 1 1 409 409 GLU N N 409 119.349 119.349 123.926 -4.577 19415 7718 1 16 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.567 0.156 19415 7719 1 16 . 1 1 409 409 GLU C C 409 174.291 174.291 174.902 -0.611 19415 7720 1 16 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.993 -0.813 19415 7721 1 16 . 1 1 409 409 GLU CB C 409 34.429 34.429 33.672 0.756 19415 7722 1 16 . 1 1 409 409 GLU H H 409 8.813 8.813 8.766 0.047 19415 7723 1 16 . 1 1 410 410 ALA N N 410 124.017 124.017 125.601 -1.584 19415 7724 1 16 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.648 -0.317 19415 7725 1 16 . 1 1 410 410 ALA C C 410 178.181 178.181 176.728 1.453 19415 7726 1 16 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.416 -0.175 19415 7727 1 16 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.513 -0.411 19415 7728 1 16 . 1 1 410 410 ALA H H 410 8.562 8.562 8.607 -0.045 19415 7729 1 16 . 1 1 411 411 ALA N N 411 124.837 124.837 127.391 -2.554 19415 7730 1 16 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.467 -0.538 19415 7731 1 16 . 1 1 411 411 ALA C C 411 178.042 178.042 176.857 1.185 19415 7732 1 16 . 1 1 411 411 ALA CA C 411 54.247 54.247 52.041 2.206 19415 7733 1 16 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.560 -0.830 19415 7734 1 16 . 1 1 411 411 ALA H H 411 8.475 8.475 8.557 -0.082 19415 7735 1 16 . 1 1 412 412 LEU N N 412 119.893 119.893 122.544 -2.651 19415 7736 1 16 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.749 -0.041 19415 7737 1 16 . 1 1 412 412 LEU C C 412 174.281 174.281 174.637 -0.356 19415 7738 1 16 . 1 1 412 412 LEU CA C 412 52.130 52.130 52.762 -0.632 19415 7739 1 16 . 1 1 412 412 LEU CB C 412 42.645 42.645 42.755 -0.110 19415 7740 1 16 . 1 1 412 412 LEU H H 412 8.075 8.075 8.124 -0.049 19415 7741 1 16 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.639 -0.186 19415 7742 1 16 . 1 1 413 413 PRO C C 413 177.094 177.094 176.618 0.476 19415 7743 1 16 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.453 0.548 19415 7744 1 16 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.344 -0.165 19415 7745 1 16 . 1 1 414 414 THR N N 414 114.256 114.256 118.490 -4.234 19415 7746 1 16 . 1 1 414 414 THR HA H 414 4.294 4.294 4.753 -0.459 19415 7747 1 16 . 1 1 414 414 THR C C 414 174.480 174.480 175.393 -0.913 19415 7748 1 16 . 1 1 414 414 THR CA C 414 61.757 61.757 63.191 -1.434 19415 7749 1 16 . 1 1 414 414 THR CB C 414 69.712 69.712 69.689 0.023 19415 7750 1 16 . 1 1 414 414 THR H H 414 8.177 8.177 8.065 0.112 19415 7751 1 16 . 1 1 415 415 SER N N 415 117.918 117.918 119.746 -1.828 19415 7752 1 16 . 1 1 415 415 SER HA H 415 4.424 4.424 4.251 0.173 19415 7753 1 16 . 1 1 415 415 SER C C 415 173.689 173.689 173.067 0.622 19415 7754 1 16 . 1 1 415 415 SER CA C 415 58.072 58.072 59.433 -1.361 19415 7755 1 16 . 1 1 415 415 SER CB C 415 63.852 63.852 63.260 0.592 19415 7756 1 16 . 1 1 415 415 SER H H 415 8.193 8.193 8.315 -0.122 19415 7757 1 16 . 1 1 416 416 HIS N N 416 121.537 121.537 121.023 0.514 19415 7758 1 16 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.877 0.065 19415 7759 1 16 . 1 1 416 416 HIS C C 416 172.547 172.547 173.782 -1.235 19415 7760 1 16 . 1 1 416 416 HIS CA C 416 53.702 53.702 53.383 0.319 19415 7761 1 16 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.056 -0.595 19415 7762 1 16 . 1 1 416 416 HIS H H 416 8.373 8.373 8.540 -0.167 19415 7763 1 16 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.511 -0.090 19415 7764 1 16 . 1 1 417 417 PRO C C 417 176.060 176.060 176.486 -0.426 19415 7765 1 16 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.793 0.655 19415 7766 1 16 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.153 0.007 19415 7767 1 16 . 1 1 902 902 GLY N N 902 108.524 108.524 106.985 1.539 19415 7768 1 16 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.624 0.735 19415 7769 1 16 . 1 1 902 902 GLY H H 902 8.196 8.196 8.169 0.027 19415 7770 1 16 . 1 1 903 903 SER N N 903 115.821 115.821 118.505 -2.684 19415 7771 1 16 . 1 1 903 903 SER HA H 903 4.403 4.403 4.750 -0.347 19415 7772 1 16 . 1 1 903 903 SER CA C 903 58.602 58.602 57.872 0.730 19415 7773 1 16 . 1 1 903 903 SER CB C 903 63.762 63.762 63.232 0.530 19415 7774 1 16 . 1 1 903 903 SER H H 903 8.354 8.354 8.738 -0.384 19415 7775 1 16 . 1 1 904 904 GLY N N 904 110.847 110.847 110.191 0.656 19415 7776 1 16 . 1 1 904 904 GLY C C 904 174.889 174.889 174.923 -0.034 19415 7777 1 16 . 1 1 904 904 GLY CA C 904 45.594 45.594 45.428 0.166 19415 7778 1 16 . 1 1 904 904 GLY H H 904 8.558 8.558 7.976 0.582 19415 7779 1 16 . 1 1 905 905 GLY N N 905 108.922 108.922 109.065 -0.143 19415 7780 1 16 . 1 1 905 905 GLY C C 905 174.452 174.452 174.657 -0.205 19415 7781 1 16 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.991 0.558 19415 7782 1 16 . 1 1 905 905 GLY H H 905 8.307 8.307 8.440 -0.133 19415 7783 1 16 . 1 1 906 906 SER N N 906 115.224 115.224 113.725 1.499 19415 7784 1 16 . 1 1 906 906 SER HA H 906 4.552 4.552 4.250 0.302 19415 7785 1 16 . 1 1 906 906 SER C C 906 175.108 175.108 173.366 1.742 19415 7786 1 16 . 1 1 906 906 SER CA C 906 58.647 58.647 58.528 0.119 19415 7787 1 16 . 1 1 906 906 SER CB C 906 64.091 64.091 62.941 1.150 19415 7788 1 16 . 1 1 906 906 SER H H 906 8.362 8.362 8.146 0.216 19415 7789 1 16 . 1 1 907 907 GLY N N 907 110.875 110.875 108.386 2.489 19415 7790 1 16 . 1 1 907 907 GLY C C 907 173.335 173.335 173.418 -0.083 19415 7791 1 16 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.351 0.659 19415 7792 1 16 . 1 1 907 907 GLY H H 907 8.437 8.437 8.277 0.160 19415 7793 1 17 . 1 1 78 78 ILE N N 78 124.415 124.415 119.842 4.573 19415 7794 1 17 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.659 -0.617 19415 7795 1 17 . 1 1 78 78 ILE C C 78 175.260 175.260 175.487 -0.227 19415 7796 1 17 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.444 -0.717 19415 7797 1 17 . 1 1 78 78 ILE CB C 78 38.922 38.922 38.840 0.082 19415 7798 1 17 . 1 1 78 78 ILE H H 78 8.025 8.025 8.513 -0.488 19415 7799 1 17 . 1 1 79 79 ARG N N 79 125.999 125.999 126.077 -0.078 19415 7800 1 17 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.531 -0.316 19415 7801 1 17 . 1 1 79 79 ARG C C 79 175.494 175.494 174.445 1.049 19415 7802 1 17 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.802 0.054 19415 7803 1 17 . 1 1 79 79 ARG CB C 79 30.774 30.774 32.055 -1.281 19415 7804 1 17 . 1 1 79 79 ARG H H 79 8.249 8.249 8.672 -0.423 19415 7805 1 17 . 1 1 80 80 LEU N N 80 124.427 124.427 119.914 4.513 19415 7806 1 17 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.663 -0.371 19415 7807 1 17 . 1 1 80 80 LEU C C 80 176.785 176.785 176.839 -0.054 19415 7808 1 17 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.732 1.088 19415 7809 1 17 . 1 1 80 80 LEU CB C 80 42.520 42.520 41.848 0.672 19415 7810 1 17 . 1 1 80 80 LEU H H 80 8.190 8.190 7.824 0.366 19415 7811 1 17 . 1 1 81 81 PHE N N 81 120.462 120.462 125.120 -4.658 19415 7812 1 17 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.461 0.163 19415 7813 1 17 . 1 1 81 81 PHE C C 81 176.212 176.212 177.206 -0.994 19415 7814 1 17 . 1 1 81 81 PHE CA C 81 57.570 57.570 61.583 -4.013 19415 7815 1 17 . 1 1 81 81 PHE CB C 81 39.802 39.802 39.435 0.367 19415 7816 1 17 . 1 1 81 81 PHE H H 81 8.244 8.244 9.441 -1.197 19415 7817 1 17 . 1 1 82 82 GLY N N 82 110.003 110.003 103.065 6.938 19415 7818 1 17 . 1 1 82 82 GLY C C 82 173.730 173.730 173.596 0.134 19415 7819 1 17 . 1 1 82 82 GLY CA C 82 45.415 45.415 44.671 0.744 19415 7820 1 17 . 1 1 82 82 GLY H H 82 8.351 8.351 8.220 0.131 19415 7821 1 17 . 1 1 83 83 ASN N N 83 118.840 118.840 115.831 3.009 19415 7822 1 17 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.467 0.327 19415 7823 1 17 . 1 1 83 83 ASN C C 83 175.312 175.312 175.015 0.297 19415 7824 1 17 . 1 1 83 83 ASN CA C 83 52.996 52.996 53.979 -0.983 19415 7825 1 17 . 1 1 83 83 ASN CB C 83 39.137 39.137 37.439 1.698 19415 7826 1 17 . 1 1 83 83 ASN H H 83 8.325 8.325 8.248 0.077 19415 7827 1 17 . 1 1 84 84 SER N N 84 116.555 116.555 113.568 2.987 19415 7828 1 17 . 1 1 84 84 SER CA C 84 58.823 58.823 59.275 -0.452 19415 7829 1 17 . 1 1 84 84 SER CB C 84 63.887 63.887 65.109 -1.222 19415 7830 1 17 . 1 1 84 84 SER H H 84 8.463 8.463 8.208 0.255 19415 7831 1 17 . 1 1 85 85 GLY N N 85 109.826 109.826 109.725 0.101 19415 7832 1 17 . 1 1 85 85 GLY C C 85 172.709 172.709 171.973 0.736 19415 7833 1 17 . 1 1 85 85 GLY CA C 85 45.153 45.153 44.783 0.370 19415 7834 1 17 . 1 1 85 85 GLY H H 85 8.341 8.341 7.678 0.663 19415 7835 1 17 . 1 1 86 86 ALA N N 86 122.100 122.100 123.187 -1.087 19415 7836 1 17 . 1 1 86 86 ALA HA H 86 4.447 4.447 5.008 -0.561 19415 7837 1 17 . 1 1 86 86 ALA C C 86 175.383 175.383 175.699 -0.316 19415 7838 1 17 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.532 -0.009 19415 7839 1 17 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.570 -0.858 19415 7840 1 17 . 1 1 86 86 ALA H H 86 7.703 7.703 8.018 -0.315 19415 7841 1 17 . 1 1 87 87 CYS N N 87 121.922 121.922 118.160 3.762 19415 7842 1 17 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.583 -0.386 19415 7843 1 17 . 1 1 87 87 CYS C C 87 178.454 178.454 176.557 1.897 19415 7844 1 17 . 1 1 87 87 CYS CA C 87 58.515 58.515 58.045 0.470 19415 7845 1 17 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.298 3.302 19415 7846 1 17 . 1 1 87 87 CYS H H 87 7.968 7.968 8.169 -0.201 19415 7847 1 17 . 1 1 88 88 SER N N 88 126.804 126.804 122.056 4.748 19415 7848 1 17 . 1 1 88 88 SER HA H 88 4.174 4.174 4.353 -0.179 19415 7849 1 17 . 1 1 88 88 SER C C 88 173.647 173.647 174.537 -0.890 19415 7850 1 17 . 1 1 88 88 SER CA C 88 62.158 62.158 60.393 1.765 19415 7851 1 17 . 1 1 88 88 SER CB C 88 63.401 63.401 62.618 0.783 19415 7852 1 17 . 1 1 88 88 SER H H 88 9.202 9.202 8.853 0.349 19415 7853 1 17 . 1 1 89 89 ALA N N 89 123.763 123.763 122.424 1.339 19415 7854 1 17 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.716 0.120 19415 7855 1 17 . 1 1 89 89 ALA C C 89 178.007 178.007 178.628 -0.621 19415 7856 1 17 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.163 0.770 19415 7857 1 17 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.610 1.635 19415 7858 1 17 . 1 1 89 89 ALA H H 89 8.964 8.964 7.701 1.263 19415 7859 1 17 . 1 1 90 90 CYS N N 90 115.099 115.099 117.841 -2.742 19415 7860 1 17 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.386 0.646 19415 7861 1 17 . 1 1 90 90 CYS C C 90 177.164 177.164 176.296 0.868 19415 7862 1 17 . 1 1 90 90 CYS CA C 90 58.754 58.754 60.853 -2.099 19415 7863 1 17 . 1 1 90 90 CYS CB C 90 31.688 31.688 27.639 4.049 19415 7864 1 17 . 1 1 90 90 CYS H H 90 8.078 8.078 8.059 0.019 19415 7865 1 17 . 1 1 91 91 GLY N N 91 112.869 112.869 104.888 7.981 19415 7866 1 17 . 1 1 91 91 GLY C C 91 173.725 173.725 173.771 -0.046 19415 7867 1 17 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.448 0.855 19415 7868 1 17 . 1 1 91 91 GLY H H 91 7.996 7.996 8.309 -0.313 19415 7869 1 17 . 1 1 92 92 GLN N N 92 119.848 119.848 120.846 -0.998 19415 7870 1 17 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.501 0.074 19415 7871 1 17 . 1 1 92 92 GLN C C 92 176.015 176.015 176.881 -0.866 19415 7872 1 17 . 1 1 92 92 GLN CA C 92 54.954 54.954 54.581 0.373 19415 7873 1 17 . 1 1 92 92 GLN CB C 92 30.026 30.026 29.490 0.536 19415 7874 1 17 . 1 1 92 92 GLN H H 92 8.341 8.341 7.915 0.426 19415 7875 1 17 . 1 1 93 93 SER N N 93 116.734 116.734 121.503 -4.769 19415 7876 1 17 . 1 1 93 93 SER C C 93 173.776 173.776 175.068 -1.292 19415 7877 1 17 . 1 1 93 93 SER CA C 93 59.491 59.491 59.330 0.162 19415 7878 1 17 . 1 1 93 93 SER CB C 93 63.707 63.707 63.336 0.371 19415 7879 1 17 . 1 1 93 93 SER H H 93 8.656 8.656 8.508 0.148 19415 7880 1 17 . 1 1 94 94 ILE N N 94 126.045 126.045 127.371 -1.326 19415 7881 1 17 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.273 0.069 19415 7882 1 17 . 1 1 94 94 ILE CA C 94 58.525 58.525 59.966 -1.441 19415 7883 1 17 . 1 1 94 94 ILE CB C 94 39.907 39.907 37.881 2.026 19415 7884 1 17 . 1 1 94 94 ILE H H 94 8.281 8.281 8.073 0.208 19415 7885 1 17 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.565 -0.092 19415 7886 1 17 . 1 1 95 95 PRO C C 95 176.605 176.605 177.511 -0.906 19415 7887 1 17 . 1 1 95 95 PRO CA C 95 62.852 62.852 61.902 0.950 19415 7888 1 17 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.158 0.633 19415 7889 1 17 . 1 1 96 96 ALA N N 96 122.591 122.591 124.080 -1.489 19415 7890 1 17 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.101 -0.101 19415 7891 1 17 . 1 1 96 96 ALA C C 96 177.763 177.763 177.820 -0.057 19415 7892 1 17 . 1 1 96 96 ALA CA C 96 54.605 54.605 54.034 0.571 19415 7893 1 17 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.592 0.514 19415 7894 1 17 . 1 1 96 96 ALA H H 96 8.400 8.400 8.557 -0.157 19415 7895 1 17 . 1 1 97 97 SER N N 97 107.288 107.288 112.131 -4.843 19415 7896 1 17 . 1 1 97 97 SER HA H 97 4.270 4.270 4.388 -0.118 19415 7897 1 17 . 1 1 97 97 SER C C 97 174.625 174.625 174.378 0.247 19415 7898 1 17 . 1 1 97 97 SER CA C 97 58.532 58.532 58.221 0.311 19415 7899 1 17 . 1 1 97 97 SER CB C 97 63.538 63.538 63.117 0.421 19415 7900 1 17 . 1 1 97 97 SER H H 97 7.796 7.796 7.894 -0.098 19415 7901 1 17 . 1 1 98 98 GLU N N 98 124.231 124.231 121.891 2.340 19415 7902 1 17 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.561 -0.304 19415 7903 1 17 . 1 1 98 98 GLU C C 98 175.476 175.476 174.451 1.025 19415 7904 1 17 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.026 1.495 19415 7905 1 17 . 1 1 98 98 GLU CB C 98 31.081 31.081 32.105 -1.024 19415 7906 1 17 . 1 1 98 98 GLU H H 98 7.649 7.649 7.559 0.090 19415 7907 1 17 . 1 1 99 99 LEU N N 99 122.696 122.696 122.017 0.679 19415 7908 1 17 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.740 -0.235 19415 7909 1 17 . 1 1 99 99 LEU C C 99 176.253 176.253 175.727 0.526 19415 7910 1 17 . 1 1 99 99 LEU CA C 99 54.635 54.635 53.998 0.637 19415 7911 1 17 . 1 1 99 99 LEU CB C 99 42.967 42.967 43.807 -0.840 19415 7912 1 17 . 1 1 99 99 LEU H H 99 8.250 8.250 8.472 -0.222 19415 7913 1 17 . 1 1 100 100 VAL N N 100 112.933 112.933 115.209 -2.276 19415 7914 1 17 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.505 0.398 19415 7915 1 17 . 1 1 100 100 VAL C C 100 175.544 175.544 173.828 1.716 19415 7916 1 17 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.172 -0.425 19415 7917 1 17 . 1 1 100 100 VAL CB C 100 35.898 35.898 35.157 0.741 19415 7918 1 17 . 1 1 100 100 VAL H H 100 8.934 8.934 9.014 -0.080 19415 7919 1 17 . 1 1 101 101 MET N N 101 116.964 116.964 119.456 -2.492 19415 7920 1 17 . 1 1 101 101 MET HA H 101 4.676 4.676 4.855 -0.179 19415 7921 1 17 . 1 1 101 101 MET C C 101 175.197 175.197 174.755 0.442 19415 7922 1 17 . 1 1 101 101 MET CA C 101 52.397 52.397 54.057 -1.660 19415 7923 1 17 . 1 1 101 101 MET CB C 101 34.490 34.490 33.926 0.564 19415 7924 1 17 . 1 1 101 101 MET H H 101 8.299 8.299 8.595 -0.296 19415 7925 1 17 . 1 1 102 102 ARG N N 102 122.278 122.278 126.523 -4.245 19415 7926 1 17 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.378 0.776 19415 7927 1 17 . 1 1 102 102 ARG C C 102 175.008 175.008 175.556 -0.548 19415 7928 1 17 . 1 1 102 102 ARG CA C 102 54.850 54.850 55.699 -0.849 19415 7929 1 17 . 1 1 102 102 ARG CB C 102 32.335 32.335 30.415 1.921 19415 7930 1 17 . 1 1 102 102 ARG H H 102 8.112 8.112 8.846 -0.734 19415 7931 1 17 . 1 1 103 103 ALA N N 103 123.373 123.373 130.320 -6.947 19415 7932 1 17 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.145 0.454 19415 7933 1 17 . 1 1 103 103 ALA C C 103 176.137 176.137 177.087 -0.950 19415 7934 1 17 . 1 1 103 103 ALA CA C 103 52.049 52.049 54.180 -2.131 19415 7935 1 17 . 1 1 103 103 ALA CB C 103 21.835 21.835 19.459 2.377 19415 7936 1 17 . 1 1 103 103 ALA H H 103 8.129 8.129 8.509 -0.380 19415 7937 1 17 . 1 1 104 104 GLN N N 104 120.352 120.352 115.667 4.685 19415 7938 1 17 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.444 -0.642 19415 7939 1 17 . 1 1 104 104 GLN C C 104 175.032 175.032 175.935 -0.903 19415 7940 1 17 . 1 1 104 104 GLN CA C 104 56.385 56.385 55.797 0.588 19415 7941 1 17 . 1 1 104 104 GLN CB C 104 25.801 25.801 30.359 -4.558 19415 7942 1 17 . 1 1 104 104 GLN H H 104 9.312 9.312 7.457 1.855 19415 7943 1 17 . 1 1 105 105 GLY N N 105 105.580 105.580 108.017 -2.437 19415 7944 1 17 . 1 1 105 105 GLY C C 105 173.414 173.414 174.870 -1.456 19415 7945 1 17 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.876 -0.401 19415 7946 1 17 . 1 1 105 105 GLY H H 105 8.493 8.493 8.645 -0.152 19415 7947 1 17 . 1 1 106 106 ASN N N 106 120.347 120.347 118.576 1.771 19415 7948 1 17 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.704 0.116 19415 7949 1 17 . 1 1 106 106 ASN C C 106 174.060 174.060 173.584 0.476 19415 7950 1 17 . 1 1 106 106 ASN CA C 106 51.777 51.777 53.036 -1.259 19415 7951 1 17 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.023 1.581 19415 7952 1 17 . 1 1 106 106 ASN H H 106 8.085 8.085 7.857 0.228 19415 7953 1 17 . 1 1 107 107 VAL N N 107 118.992 118.992 122.658 -3.666 19415 7954 1 17 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.363 0.411 19415 7955 1 17 . 1 1 107 107 VAL C C 107 173.066 173.066 173.083 -0.017 19415 7956 1 17 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.135 0.441 19415 7957 1 17 . 1 1 107 107 VAL CB C 107 34.475 34.475 33.796 0.679 19415 7958 1 17 . 1 1 107 107 VAL H H 107 8.207 8.207 8.405 -0.199 19415 7959 1 17 . 1 1 108 108 TYR N N 108 121.397 121.397 124.948 -3.551 19415 7960 1 17 . 1 1 108 108 TYR HA H 108 5.930 5.930 5.049 0.881 19415 7961 1 17 . 1 1 108 108 TYR C C 108 177.709 177.709 175.718 1.991 19415 7962 1 17 . 1 1 108 108 TYR CA C 108 56.002 56.002 55.549 0.453 19415 7963 1 17 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.010 0.928 19415 7964 1 17 . 1 1 108 108 TYR H H 108 8.681 8.681 8.636 0.045 19415 7965 1 17 . 1 1 109 109 HIS N N 109 120.399 120.399 118.135 2.264 19415 7966 1 17 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.710 0.047 19415 7967 1 17 . 1 1 109 109 HIS C C 109 178.297 178.297 176.374 1.923 19415 7968 1 17 . 1 1 109 109 HIS CA C 109 59.269 59.269 55.818 3.451 19415 7969 1 17 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.135 0.304 19415 7970 1 17 . 1 1 109 109 HIS H H 109 8.681 8.681 8.871 -0.190 19415 7971 1 17 . 1 1 110 110 LEU N N 110 124.629 124.629 118.326 6.303 19415 7972 1 17 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.396 -0.514 19415 7973 1 17 . 1 1 110 110 LEU C C 110 180.956 180.956 178.652 2.304 19415 7974 1 17 . 1 1 110 110 LEU CA C 110 60.072 60.072 58.191 1.881 19415 7975 1 17 . 1 1 110 110 LEU CB C 110 40.482 40.482 41.446 -0.964 19415 7976 1 17 . 1 1 110 110 LEU H H 110 8.924 8.924 8.836 0.088 19415 7977 1 17 . 1 1 111 111 LYS N N 111 112.542 112.542 119.110 -6.568 19415 7978 1 17 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.245 -0.249 19415 7979 1 17 . 1 1 111 111 LYS C C 111 176.711 176.711 177.274 -0.563 19415 7980 1 17 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.557 -0.620 19415 7981 1 17 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.299 0.410 19415 7982 1 17 . 1 1 111 111 LYS H H 111 8.586 8.586 8.245 0.341 19415 7983 1 17 . 1 1 112 112 CYS N N 112 117.897 117.897 114.623 3.274 19415 7984 1 17 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.593 -0.201 19415 7985 1 17 . 1 1 112 112 CYS C C 112 173.923 173.923 175.829 -1.906 19415 7986 1 17 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.473 1.782 19415 7987 1 17 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.330 5.104 19415 7988 1 17 . 1 1 112 112 CYS H H 112 7.439 7.439 8.344 -0.905 19415 7989 1 17 . 1 1 113 113 PHE N N 113 126.150 126.150 124.715 1.435 19415 7990 1 17 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.340 -0.259 19415 7991 1 17 . 1 1 113 113 PHE C C 113 172.777 172.777 174.106 -1.329 19415 7992 1 17 . 1 1 113 113 PHE CA C 113 57.131 57.131 56.060 1.071 19415 7993 1 17 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.046 -0.237 19415 7994 1 17 . 1 1 113 113 PHE H H 113 7.467 7.467 8.146 -0.679 19415 7995 1 17 . 1 1 114 114 THR N N 114 112.302 112.302 113.738 -1.436 19415 7996 1 17 . 1 1 114 114 THR HA H 114 4.577 4.577 5.085 -0.508 19415 7997 1 17 . 1 1 114 114 THR C C 114 172.592 172.592 173.497 -0.905 19415 7998 1 17 . 1 1 114 114 THR CA C 114 57.922 57.922 59.724 -1.802 19415 7999 1 17 . 1 1 114 114 THR CB C 114 72.187 72.187 72.237 -0.050 19415 8000 1 17 . 1 1 114 114 THR H H 114 6.895 6.895 7.835 -0.940 19415 8001 1 17 . 1 1 115 115 CYS N N 115 121.388 121.388 119.019 2.369 19415 8002 1 17 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.920 -1.130 19415 8003 1 17 . 1 1 115 115 CYS C C 115 177.309 177.309 176.387 0.922 19415 8004 1 17 . 1 1 115 115 CYS CA C 115 59.284 59.284 56.577 2.707 19415 8005 1 17 . 1 1 115 115 CYS CB C 115 31.621 31.621 30.202 1.419 19415 8006 1 17 . 1 1 115 115 CYS H H 115 7.981 7.981 8.245 -0.264 19415 8007 1 17 . 1 1 116 116 SER N N 116 127.333 127.333 120.464 6.869 19415 8008 1 17 . 1 1 116 116 SER HA H 116 4.066 4.066 4.267 -0.201 19415 8009 1 17 . 1 1 116 116 SER C C 116 174.522 174.522 175.938 -1.416 19415 8010 1 17 . 1 1 116 116 SER CA C 116 61.507 61.507 61.195 0.312 19415 8011 1 17 . 1 1 116 116 SER CB C 116 63.619 63.619 63.119 0.500 19415 8012 1 17 . 1 1 116 116 SER H H 116 9.064 9.064 8.939 0.125 19415 8013 1 17 . 1 1 117 117 THR N N 117 121.020 121.020 117.423 3.597 19415 8014 1 17 . 1 1 117 117 THR HA H 117 4.384 4.384 4.262 0.122 19415 8015 1 17 . 1 1 117 117 THR C C 117 174.713 174.713 175.919 -1.206 19415 8016 1 17 . 1 1 117 117 THR CA C 117 65.378 65.378 64.863 0.515 19415 8017 1 17 . 1 1 117 117 THR CB C 117 69.656 69.656 69.312 0.344 19415 8018 1 17 . 1 1 117 117 THR H H 117 8.939 8.939 8.322 0.617 19415 8019 1 17 . 1 1 118 118 CYS N N 118 120.215 120.215 116.725 3.490 19415 8020 1 17 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.826 -0.478 19415 8021 1 17 . 1 1 118 118 CYS C C 118 176.041 176.041 174.352 1.689 19415 8022 1 17 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.948 1.539 19415 8023 1 17 . 1 1 118 118 CYS CB C 118 29.824 29.824 28.395 1.429 19415 8024 1 17 . 1 1 118 118 CYS H H 118 8.180 8.180 7.968 0.212 19415 8025 1 17 . 1 1 119 119 ARG N N 119 114.664 114.664 120.187 -5.523 19415 8026 1 17 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.107 0.004 19415 8027 1 17 . 1 1 119 119 ARG C C 119 174.910 174.910 174.553 0.357 19415 8028 1 17 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.535 1.038 19415 8029 1 17 . 1 1 119 119 ARG CB C 119 26.358 26.358 28.149 -1.791 19415 8030 1 17 . 1 1 119 119 ARG H H 119 7.545 7.545 8.066 -0.521 19415 8031 1 17 . 1 1 120 120 ASN N N 120 118.962 118.962 118.158 0.804 19415 8032 1 17 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.617 0.135 19415 8033 1 17 . 1 1 120 120 ASN C C 120 175.950 175.950 175.298 0.652 19415 8034 1 17 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.313 0.191 19415 8035 1 17 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.537 -0.239 19415 8036 1 17 . 1 1 120 120 ASN H H 120 8.232 8.232 8.232 0.000 19415 8037 1 17 . 1 1 121 121 ARG N N 121 122.104 122.104 126.358 -4.254 19415 8038 1 17 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.379 -0.394 19415 8039 1 17 . 1 1 121 121 ARG C C 121 175.638 175.638 176.074 -0.436 19415 8040 1 17 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.044 1.140 19415 8041 1 17 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.363 0.204 19415 8042 1 17 . 1 1 121 121 ARG H H 121 8.603 8.603 8.646 -0.043 19415 8043 1 17 . 1 1 122 122 LEU N N 122 127.225 127.225 128.081 -0.856 19415 8044 1 17 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.281 0.248 19415 8045 1 17 . 1 1 122 122 LEU C C 122 175.345 175.345 174.955 0.390 19415 8046 1 17 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.495 -1.668 19415 8047 1 17 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.516 -0.944 19415 8048 1 17 . 1 1 122 122 LEU H H 122 8.094 8.094 8.271 -0.177 19415 8049 1 17 . 1 1 123 123 VAL N N 123 121.030 121.030 120.314 0.716 19415 8050 1 17 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.441 0.034 19415 8051 1 17 . 1 1 123 123 VAL C C 123 173.190 173.190 173.813 -0.623 19415 8052 1 17 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.395 0.635 19415 8053 1 17 . 1 1 123 123 VAL CB C 123 31.454 31.454 35.666 -4.212 19415 8054 1 17 . 1 1 123 123 VAL H H 123 8.416 8.416 8.366 0.050 19415 8055 1 17 . 1 1 124 124 PRO HA H 124 3.640 3.640 3.861 -0.221 19415 8056 1 17 . 1 1 124 124 PRO C C 124 177.425 177.425 176.627 0.798 19415 8057 1 17 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.459 0.573 19415 8058 1 17 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.111 1.124 19415 8059 1 17 . 1 1 125 125 GLY N N 125 113.120 113.120 113.098 0.022 19415 8060 1 17 . 1 1 125 125 GLY C C 125 174.384 174.384 173.434 0.950 19415 8061 1 17 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.922 0.181 19415 8062 1 17 . 1 1 125 125 GLY H H 125 8.574 8.574 8.640 -0.066 19415 8063 1 17 . 1 1 126 126 ASP N N 126 122.488 122.488 120.204 2.284 19415 8064 1 17 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.974 -0.251 19415 8065 1 17 . 1 1 126 126 ASP C C 126 176.558 176.558 174.697 1.861 19415 8066 1 17 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.085 2.239 19415 8067 1 17 . 1 1 126 126 ASP CB C 126 41.602 41.602 42.870 -1.268 19415 8068 1 17 . 1 1 126 126 ASP H H 126 8.476 8.476 7.918 0.558 19415 8069 1 17 . 1 1 127 127 ARG N N 127 122.074 122.074 118.632 3.442 19415 8070 1 17 . 1 1 127 127 ARG HA H 127 5.047 5.047 4.838 0.209 19415 8071 1 17 . 1 1 127 127 ARG C C 127 175.671 175.671 174.912 0.759 19415 8072 1 17 . 1 1 127 127 ARG CA C 127 55.559 55.559 55.108 0.450 19415 8073 1 17 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.785 -0.923 19415 8074 1 17 . 1 1 127 127 ARG H H 127 8.697 8.697 8.341 0.356 19415 8075 1 17 . 1 1 128 128 PHE N N 128 120.179 120.179 123.209 -3.030 19415 8076 1 17 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.784 0.410 19415 8077 1 17 . 1 1 128 128 PHE C C 128 171.304 171.304 173.663 -2.359 19415 8078 1 17 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.002 -0.575 19415 8079 1 17 . 1 1 128 128 PHE CB C 128 43.513 43.513 41.652 1.861 19415 8080 1 17 . 1 1 128 128 PHE H H 128 8.869 8.869 8.788 0.081 19415 8081 1 17 . 1 1 129 129 HIS N N 129 118.586 118.586 124.403 -5.817 19415 8082 1 17 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.519 0.162 19415 8083 1 17 . 1 1 129 129 HIS C C 129 173.764 173.764 173.573 0.191 19415 8084 1 17 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.904 -0.093 19415 8085 1 17 . 1 1 129 129 HIS CB C 129 34.983 34.983 31.066 3.917 19415 8086 1 17 . 1 1 129 129 HIS H H 129 9.292 9.292 8.865 0.427 19415 8087 1 17 . 1 1 130 130 TYR N N 130 125.995 125.995 128.327 -2.332 19415 8088 1 17 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.350 0.369 19415 8089 1 17 . 1 1 130 130 TYR C C 130 174.625 174.625 174.237 0.388 19415 8090 1 17 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.633 -0.451 19415 8091 1 17 . 1 1 130 130 TYR CB C 130 40.279 40.279 38.253 2.026 19415 8092 1 17 . 1 1 130 130 TYR H H 130 8.865 8.865 8.276 0.589 19415 8093 1 17 . 1 1 131 131 ILE N N 131 126.610 126.610 127.265 -0.655 19415 8094 1 17 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.915 -0.592 19415 8095 1 17 . 1 1 131 131 ILE C C 131 175.516 175.516 175.818 -0.302 19415 8096 1 17 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.059 -0.332 19415 8097 1 17 . 1 1 131 131 ILE CB C 131 41.170 41.170 40.312 0.858 19415 8098 1 17 . 1 1 131 131 ILE H H 131 8.889 8.889 8.479 0.410 19415 8099 1 17 . 1 1 132 132 ASN N N 132 126.614 126.614 125.713 0.901 19415 8100 1 17 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.388 -0.027 19415 8101 1 17 . 1 1 132 132 ASN C C 132 175.421 175.421 175.562 -0.141 19415 8102 1 17 . 1 1 132 132 ASN CA C 132 53.933 53.933 54.155 -0.222 19415 8103 1 17 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.762 -0.422 19415 8104 1 17 . 1 1 132 132 ASN H H 132 9.375 9.375 9.681 -0.306 19415 8105 1 17 . 1 1 133 133 GLY N N 133 102.667 102.667 102.461 0.206 19415 8106 1 17 . 1 1 133 133 GLY C C 133 173.969 173.969 173.384 0.585 19415 8107 1 17 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.279 0.117 19415 8108 1 17 . 1 1 133 133 GLY H H 133 7.417 7.417 8.516 -1.099 19415 8109 1 17 . 1 1 134 134 SER N N 134 117.123 117.123 114.125 2.998 19415 8110 1 17 . 1 1 134 134 SER HA H 134 4.743 4.743 4.648 0.095 19415 8111 1 17 . 1 1 134 134 SER C C 134 170.825 170.825 172.988 -2.163 19415 8112 1 17 . 1 1 134 134 SER CA C 134 57.754 57.754 56.718 1.036 19415 8113 1 17 . 1 1 134 134 SER CB C 134 66.060 66.060 66.177 -0.117 19415 8114 1 17 . 1 1 134 134 SER H H 134 7.639 7.639 6.987 0.652 19415 8115 1 17 . 1 1 135 135 LEU N N 135 122.242 122.242 123.254 -1.012 19415 8116 1 17 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.687 0.527 19415 8117 1 17 . 1 1 135 135 LEU C C 135 177.735 177.735 175.317 2.418 19415 8118 1 17 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.488 -1.059 19415 8119 1 17 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.252 2.433 19415 8120 1 17 . 1 1 135 135 LEU H H 135 8.236 8.236 8.311 -0.075 19415 8121 1 17 . 1 1 136 136 PHE N N 136 118.689 118.689 120.864 -2.175 19415 8122 1 17 . 1 1 136 136 PHE HA H 136 5.990 5.990 4.921 1.069 19415 8123 1 17 . 1 1 136 136 PHE C C 136 175.971 175.971 174.976 0.995 19415 8124 1 17 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.315 0.589 19415 8125 1 17 . 1 1 136 136 PHE CB C 136 44.329 44.329 42.730 1.599 19415 8126 1 17 . 1 1 136 136 PHE H H 136 9.221 9.221 8.837 0.384 19415 8127 1 17 . 1 1 137 137 CYS N N 137 121.328 121.328 118.458 2.870 19415 8128 1 17 . 1 1 137 137 CYS HA H 137 4.966 4.966 4.989 -0.023 19415 8129 1 17 . 1 1 137 137 CYS C C 137 175.030 175.030 175.802 -0.772 19415 8130 1 17 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.649 0.904 19415 8131 1 17 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.565 -1.340 19415 8132 1 17 . 1 1 137 137 CYS H H 137 9.716 9.716 8.587 1.129 19415 8133 1 17 . 1 1 138 138 GLU N N 138 118.055 118.055 119.162 -1.107 19415 8134 1 17 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.159 -0.016 19415 8135 1 17 . 1 1 138 138 GLU C C 138 178.535 178.535 177.132 1.403 19415 8136 1 17 . 1 1 138 138 GLU CA C 138 59.569 59.569 58.734 0.834 19415 8137 1 17 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.044 0.851 19415 8138 1 17 . 1 1 138 138 GLU H H 138 8.476 8.476 8.852 -0.376 19415 8139 1 17 . 1 1 139 139 HIS N N 139 117.190 117.190 116.995 0.195 19415 8140 1 17 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.513 -0.083 19415 8141 1 17 . 1 1 139 139 HIS C C 139 175.584 175.584 176.533 -0.949 19415 8142 1 17 . 1 1 139 139 HIS CA C 139 58.130 58.130 57.322 0.809 19415 8143 1 17 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.192 -1.246 19415 8144 1 17 . 1 1 139 139 HIS H H 139 8.365 8.365 7.760 0.605 19415 8145 1 17 . 1 1 140 140 ASP N N 140 118.373 118.373 117.922 0.451 19415 8146 1 17 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.562 0.394 19415 8147 1 17 . 1 1 140 140 ASP C C 140 174.258 174.258 176.108 -1.850 19415 8148 1 17 . 1 1 140 140 ASP CA C 140 54.319 54.319 55.480 -1.161 19415 8149 1 17 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.823 0.494 19415 8150 1 17 . 1 1 140 140 ASP H H 140 8.082 8.082 8.204 -0.122 19415 8151 1 17 . 1 1 141 141 ARG N N 141 121.880 121.880 121.684 0.196 19415 8152 1 17 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.743 -0.127 19415 8153 1 17 . 1 1 141 141 ARG C C 141 173.939 173.939 174.276 -0.337 19415 8154 1 17 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.960 -1.238 19415 8155 1 17 . 1 1 141 141 ARG CB C 141 29.423 29.423 29.253 0.170 19415 8156 1 17 . 1 1 141 141 ARG H H 141 7.120 7.120 7.416 -0.296 19415 8157 1 17 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.310 -0.060 19415 8158 1 17 . 1 1 142 142 PRO C C 142 176.688 176.688 176.007 0.681 19415 8159 1 17 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.426 0.273 19415 8160 1 17 . 1 1 142 142 PRO CB C 142 31.249 31.249 32.226 -0.977 19415 8161 1 17 . 1 1 143 143 THR N N 143 115.472 115.472 114.134 1.338 19415 8162 1 17 . 1 1 143 143 THR HA H 143 3.924 3.924 4.424 -0.500 19415 8163 1 17 . 1 1 143 143 THR C C 143 174.890 174.890 175.428 -0.538 19415 8164 1 17 . 1 1 143 143 THR CA C 143 63.099 63.099 61.487 1.612 19415 8165 1 17 . 1 1 143 143 THR CB C 143 69.197 69.197 70.239 -1.042 19415 8166 1 17 . 1 1 143 143 THR H H 143 8.015 8.015 8.088 -0.073 19415 8167 1 17 . 1 1 144 144 ALA N N 144 124.502 124.502 128.227 -3.725 19415 8168 1 17 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.030 0.170 19415 8169 1 17 . 1 1 144 144 ALA C C 144 177.656 177.656 177.676 -0.020 19415 8170 1 17 . 1 1 144 144 ALA CA C 144 52.807 52.807 53.952 -1.145 19415 8171 1 17 . 1 1 144 144 ALA CB C 144 19.005 19.005 17.613 1.392 19415 8172 1 17 . 1 1 144 144 ALA H H 144 8.130 8.130 8.716 -0.586 19415 8173 1 17 . 1 1 145 145 LEU N N 145 119.506 119.506 122.693 -3.187 19415 8174 1 17 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.456 -0.180 19415 8175 1 17 . 1 1 145 145 LEU C C 145 177.574 177.574 175.831 1.743 19415 8176 1 17 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.465 0.602 19415 8177 1 17 . 1 1 145 145 LEU CB C 145 42.231 42.231 39.850 2.381 19415 8178 1 17 . 1 1 145 145 LEU H H 145 7.897 7.897 8.034 -0.137 19415 8179 1 17 . 1 1 146 146 ILE N N 146 120.683 120.683 120.054 0.629 19415 8180 1 17 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.379 -0.324 19415 8181 1 17 . 1 1 146 146 ILE C C 146 176.259 176.259 175.069 1.190 19415 8182 1 17 . 1 1 146 146 ILE CA C 146 61.486 61.486 59.485 2.001 19415 8183 1 17 . 1 1 146 146 ILE CB C 146 38.629 38.629 36.748 1.881 19415 8184 1 17 . 1 1 146 146 ILE H H 146 7.842 7.842 7.853 -0.011 19415 8185 1 17 . 1 1 405 405 ALA N N 405 133.214 133.214 122.967 10.247 19415 8186 1 17 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.791 -0.320 19415 8187 1 17 . 1 1 405 405 ALA CA C 405 50.818 50.818 52.093 -1.275 19415 8188 1 17 . 1 1 405 405 ALA CB C 405 17.047 17.047 20.412 -3.365 19415 8189 1 17 . 1 1 405 405 ALA H H 405 9.651 9.651 8.190 1.461 19415 8190 1 17 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.526 0.061 19415 8191 1 17 . 1 1 406 406 PRO C C 406 174.175 174.175 176.591 -2.416 19415 8192 1 17 . 1 1 406 406 PRO CA C 406 61.942 61.942 63.508 -1.566 19415 8193 1 17 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.307 0.682 19415 8194 1 17 . 1 1 407 407 PHE N N 407 113.077 113.077 116.440 -3.363 19415 8195 1 17 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.176 0.328 19415 8196 1 17 . 1 1 407 407 PHE C C 407 174.954 174.954 173.188 1.766 19415 8197 1 17 . 1 1 407 407 PHE CA C 407 57.263 57.263 57.527 -0.264 19415 8198 1 17 . 1 1 407 407 PHE CB C 407 38.318 38.318 37.599 0.719 19415 8199 1 17 . 1 1 407 407 PHE H H 407 7.899 7.899 7.580 0.319 19415 8200 1 17 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.884 -0.131 19415 8201 1 17 . 1 1 408 408 PRO C C 408 175.865 175.865 175.708 0.157 19415 8202 1 17 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.768 0.158 19415 8203 1 17 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.941 1.516 19415 8204 1 17 . 1 1 409 409 GLU N N 409 119.349 119.349 124.066 -4.717 19415 8205 1 17 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.621 0.102 19415 8206 1 17 . 1 1 409 409 GLU C C 409 174.291 174.291 174.944 -0.653 19415 8207 1 17 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.482 -0.302 19415 8208 1 17 . 1 1 409 409 GLU CB C 409 34.429 34.429 34.683 -0.254 19415 8209 1 17 . 1 1 409 409 GLU H H 409 8.813 8.813 8.974 -0.161 19415 8210 1 17 . 1 1 410 410 ALA N N 410 124.017 124.017 122.278 1.739 19415 8211 1 17 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.645 -0.314 19415 8212 1 17 . 1 1 410 410 ALA C C 410 178.181 178.181 176.912 1.269 19415 8213 1 17 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.139 0.102 19415 8214 1 17 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.451 -0.349 19415 8215 1 17 . 1 1 410 410 ALA H H 410 8.562 8.562 8.472 0.090 19415 8216 1 17 . 1 1 411 411 ALA N N 411 124.837 124.837 126.004 -1.167 19415 8217 1 17 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.545 -0.616 19415 8218 1 17 . 1 1 411 411 ALA C C 411 178.042 178.042 176.529 1.513 19415 8219 1 17 . 1 1 411 411 ALA CA C 411 54.247 54.247 51.327 2.920 19415 8220 1 17 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.604 -0.874 19415 8221 1 17 . 1 1 411 411 ALA H H 411 8.475 8.475 8.255 0.220 19415 8222 1 17 . 1 1 412 412 LEU N N 412 119.893 119.893 121.410 -1.517 19415 8223 1 17 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.332 0.376 19415 8224 1 17 . 1 1 412 412 LEU C C 412 174.281 174.281 174.968 -0.687 19415 8225 1 17 . 1 1 412 412 LEU CA C 412 52.130 52.130 52.828 -0.697 19415 8226 1 17 . 1 1 412 412 LEU CB C 412 42.645 42.645 41.842 0.803 19415 8227 1 17 . 1 1 412 412 LEU H H 412 8.075 8.075 8.162 -0.087 19415 8228 1 17 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.611 -0.158 19415 8229 1 17 . 1 1 413 413 PRO C C 413 177.094 177.094 176.537 0.557 19415 8230 1 17 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.396 0.605 19415 8231 1 17 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.430 -0.251 19415 8232 1 17 . 1 1 414 414 THR N N 414 114.256 114.256 119.876 -5.620 19415 8233 1 17 . 1 1 414 414 THR HA H 414 4.294 4.294 4.123 0.171 19415 8234 1 17 . 1 1 414 414 THR C C 414 174.480 174.480 175.119 -0.639 19415 8235 1 17 . 1 1 414 414 THR CA C 414 61.757 61.757 63.669 -1.912 19415 8236 1 17 . 1 1 414 414 THR CB C 414 69.712 69.712 69.991 -0.279 19415 8237 1 17 . 1 1 414 414 THR H H 414 8.177 8.177 8.281 -0.104 19415 8238 1 17 . 1 1 415 415 SER N N 415 117.918 117.918 119.426 -1.508 19415 8239 1 17 . 1 1 415 415 SER HA H 415 4.424 4.424 4.323 0.101 19415 8240 1 17 . 1 1 415 415 SER C C 415 173.689 173.689 174.765 -1.076 19415 8241 1 17 . 1 1 415 415 SER CA C 415 58.072 58.072 58.744 -0.672 19415 8242 1 17 . 1 1 415 415 SER CB C 415 63.852 63.852 63.698 0.154 19415 8243 1 17 . 1 1 415 415 SER H H 415 8.193 8.193 8.457 -0.264 19415 8244 1 17 . 1 1 416 416 HIS N N 416 121.537 121.537 121.211 0.326 19415 8245 1 17 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.672 0.270 19415 8246 1 17 . 1 1 416 416 HIS C C 416 172.547 172.547 174.729 -2.182 19415 8247 1 17 . 1 1 416 416 HIS CA C 416 53.702 53.702 55.627 -1.925 19415 8248 1 17 . 1 1 416 416 HIS CB C 416 29.462 29.462 29.029 0.433 19415 8249 1 17 . 1 1 416 416 HIS H H 416 8.373 8.373 8.585 -0.212 19415 8250 1 17 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.794 -0.373 19415 8251 1 17 . 1 1 417 417 PRO C C 417 176.060 176.060 177.565 -1.505 19415 8252 1 17 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.141 1.307 19415 8253 1 17 . 1 1 417 417 PRO CB C 417 32.159 32.159 33.012 -0.853 19415 8254 1 17 . 1 1 902 902 GLY N N 902 108.524 108.524 108.037 0.487 19415 8255 1 17 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.849 0.510 19415 8256 1 17 . 1 1 902 902 GLY H H 902 8.196 8.196 7.537 0.659 19415 8257 1 17 . 1 1 903 903 SER N N 903 115.821 115.821 121.674 -5.853 19415 8258 1 17 . 1 1 903 903 SER HA H 903 4.403 4.403 4.418 -0.015 19415 8259 1 17 . 1 1 903 903 SER CA C 903 58.602 58.602 59.143 -0.541 19415 8260 1 17 . 1 1 903 903 SER CB C 903 63.762 63.762 62.491 1.271 19415 8261 1 17 . 1 1 903 903 SER H H 903 8.354 8.354 8.645 -0.291 19415 8262 1 17 . 1 1 904 904 GLY N N 904 110.847 110.847 116.031 -5.184 19415 8263 1 17 . 1 1 904 904 GLY C C 904 174.889 174.889 174.175 0.714 19415 8264 1 17 . 1 1 904 904 GLY CA C 904 45.594 45.594 45.816 -0.222 19415 8265 1 17 . 1 1 904 904 GLY H H 904 8.558 8.558 8.499 0.059 19415 8266 1 17 . 1 1 905 905 GLY N N 905 108.922 108.922 109.021 -0.099 19415 8267 1 17 . 1 1 905 905 GLY C C 905 174.452 174.452 173.071 1.381 19415 8268 1 17 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.839 0.710 19415 8269 1 17 . 1 1 905 905 GLY H H 905 8.307 8.307 8.158 0.149 19415 8270 1 17 . 1 1 906 906 SER N N 906 115.224 115.224 118.767 -3.543 19415 8271 1 17 . 1 1 906 906 SER HA H 906 4.552 4.552 4.591 -0.039 19415 8272 1 17 . 1 1 906 906 SER C C 906 175.108 175.108 174.315 0.793 19415 8273 1 17 . 1 1 906 906 SER CA C 906 58.647 58.647 59.301 -0.654 19415 8274 1 17 . 1 1 906 906 SER CB C 906 64.091 64.091 62.592 1.499 19415 8275 1 17 . 1 1 906 906 SER H H 906 8.362 8.362 8.327 0.035 19415 8276 1 17 . 1 1 907 907 GLY N N 907 110.875 110.875 111.612 -0.737 19415 8277 1 17 . 1 1 907 907 GLY C C 907 173.335 173.335 173.137 0.198 19415 8278 1 17 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.685 0.325 19415 8279 1 17 . 1 1 907 907 GLY H H 907 8.437 8.437 8.177 0.260 19415 8280 1 18 . 1 1 78 78 ILE N N 78 124.415 124.415 123.215 1.200 19415 8281 1 18 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.146 -0.104 19415 8282 1 18 . 1 1 78 78 ILE C C 78 175.260 175.260 176.016 -0.756 19415 8283 1 18 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.594 -0.867 19415 8284 1 18 . 1 1 78 78 ILE CB C 78 38.922 38.922 35.940 2.982 19415 8285 1 18 . 1 1 78 78 ILE H H 78 8.025 8.025 8.223 -0.198 19415 8286 1 18 . 1 1 79 79 ARG N N 79 125.999 125.999 121.870 4.129 19415 8287 1 18 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.415 -0.200 19415 8288 1 18 . 1 1 79 79 ARG C C 79 175.494 175.494 176.703 -1.209 19415 8289 1 18 . 1 1 79 79 ARG CA C 79 55.856 55.856 56.865 -1.009 19415 8290 1 18 . 1 1 79 79 ARG CB C 79 30.774 30.774 31.054 -0.280 19415 8291 1 18 . 1 1 79 79 ARG H H 79 8.249 8.249 8.008 0.241 19415 8292 1 18 . 1 1 80 80 LEU N N 80 124.427 124.427 120.236 4.191 19415 8293 1 18 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.586 -0.294 19415 8294 1 18 . 1 1 80 80 LEU C C 80 176.785 176.785 176.275 0.510 19415 8295 1 18 . 1 1 80 80 LEU CA C 80 54.820 54.820 54.238 0.582 19415 8296 1 18 . 1 1 80 80 LEU CB C 80 42.520 42.520 42.364 0.156 19415 8297 1 18 . 1 1 80 80 LEU H H 80 8.190 8.190 7.772 0.418 19415 8298 1 18 . 1 1 81 81 PHE N N 81 120.462 120.462 119.035 1.427 19415 8299 1 18 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.129 0.495 19415 8300 1 18 . 1 1 81 81 PHE C C 81 176.212 176.212 175.632 0.580 19415 8301 1 18 . 1 1 81 81 PHE CA C 81 57.570 57.570 58.961 -1.391 19415 8302 1 18 . 1 1 81 81 PHE CB C 81 39.802 39.802 38.020 1.782 19415 8303 1 18 . 1 1 81 81 PHE H H 81 8.244 8.244 8.343 -0.099 19415 8304 1 18 . 1 1 82 82 GLY N N 82 110.003 110.003 106.122 3.881 19415 8305 1 18 . 1 1 82 82 GLY C C 82 173.730 173.730 173.784 -0.054 19415 8306 1 18 . 1 1 82 82 GLY CA C 82 45.415 45.415 45.038 0.377 19415 8307 1 18 . 1 1 82 82 GLY H H 82 8.351 8.351 8.173 0.178 19415 8308 1 18 . 1 1 83 83 ASN N N 83 118.840 118.840 116.339 2.501 19415 8309 1 18 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.455 0.339 19415 8310 1 18 . 1 1 83 83 ASN C C 83 175.312 175.312 174.721 0.591 19415 8311 1 18 . 1 1 83 83 ASN CA C 83 52.996 52.996 53.770 -0.774 19415 8312 1 18 . 1 1 83 83 ASN CB C 83 39.137 39.137 37.892 1.245 19415 8313 1 18 . 1 1 83 83 ASN H H 83 8.325 8.325 8.281 0.044 19415 8314 1 18 . 1 1 84 84 SER N N 84 116.555 116.555 115.711 0.844 19415 8315 1 18 . 1 1 84 84 SER CA C 84 58.823 58.823 59.510 -0.687 19415 8316 1 18 . 1 1 84 84 SER CB C 84 63.887 63.887 64.817 -0.930 19415 8317 1 18 . 1 1 84 84 SER H H 84 8.463 8.463 8.255 0.208 19415 8318 1 18 . 1 1 85 85 GLY N N 85 109.826 109.826 108.966 0.860 19415 8319 1 18 . 1 1 85 85 GLY C C 85 172.709 172.709 171.738 0.971 19415 8320 1 18 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.182 -0.029 19415 8321 1 18 . 1 1 85 85 GLY H H 85 8.341 8.341 7.380 0.961 19415 8322 1 18 . 1 1 86 86 ALA N N 86 122.100 122.100 121.110 0.990 19415 8323 1 18 . 1 1 86 86 ALA HA H 86 4.447 4.447 5.005 -0.558 19415 8324 1 18 . 1 1 86 86 ALA C C 86 175.383 175.383 175.676 -0.293 19415 8325 1 18 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.970 -0.447 19415 8326 1 18 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.729 -1.017 19415 8327 1 18 . 1 1 86 86 ALA H H 86 7.703 7.703 8.112 -0.409 19415 8328 1 18 . 1 1 87 87 CYS N N 87 121.922 121.922 121.659 0.263 19415 8329 1 18 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.252 -0.055 19415 8330 1 18 . 1 1 87 87 CYS C C 87 178.454 178.454 176.299 2.155 19415 8331 1 18 . 1 1 87 87 CYS CA C 87 58.515 58.515 58.199 0.316 19415 8332 1 18 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.849 2.751 19415 8333 1 18 . 1 1 87 87 CYS H H 87 7.968 7.968 8.487 -0.519 19415 8334 1 18 . 1 1 88 88 SER N N 88 126.804 126.804 121.455 5.349 19415 8335 1 18 . 1 1 88 88 SER HA H 88 4.174 4.174 4.298 -0.124 19415 8336 1 18 . 1 1 88 88 SER C C 88 173.647 173.647 174.180 -0.533 19415 8337 1 18 . 1 1 88 88 SER CA C 88 62.158 62.158 60.649 1.509 19415 8338 1 18 . 1 1 88 88 SER CB C 88 63.401 63.401 62.752 0.649 19415 8339 1 18 . 1 1 88 88 SER H H 88 9.202 9.202 8.280 0.922 19415 8340 1 18 . 1 1 89 89 ALA N N 89 123.763 123.763 121.936 1.827 19415 8341 1 18 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.760 0.076 19415 8342 1 18 . 1 1 89 89 ALA C C 89 178.007 178.007 178.401 -0.394 19415 8343 1 18 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.007 0.926 19415 8344 1 18 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.566 1.679 19415 8345 1 18 . 1 1 89 89 ALA H H 89 8.964 8.964 7.797 1.167 19415 8346 1 18 . 1 1 90 90 CYS N N 90 115.099 115.099 117.189 -2.090 19415 8347 1 18 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.449 0.583 19415 8348 1 18 . 1 1 90 90 CYS C C 90 177.164 177.164 175.865 1.299 19415 8349 1 18 . 1 1 90 90 CYS CA C 90 58.754 58.754 59.936 -1.182 19415 8350 1 18 . 1 1 90 90 CYS CB C 90 31.688 31.688 27.218 4.470 19415 8351 1 18 . 1 1 90 90 CYS H H 90 8.078 8.078 8.090 -0.012 19415 8352 1 18 . 1 1 91 91 GLY N N 91 112.869 112.869 105.998 6.871 19415 8353 1 18 . 1 1 91 91 GLY C C 91 173.725 173.725 173.335 0.390 19415 8354 1 18 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.930 0.373 19415 8355 1 18 . 1 1 91 91 GLY H H 91 7.996 7.996 7.893 0.103 19415 8356 1 18 . 1 1 92 92 GLN N N 92 119.848 119.848 117.779 2.069 19415 8357 1 18 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.956 -0.381 19415 8358 1 18 . 1 1 92 92 GLN C C 92 176.015 176.015 175.752 0.263 19415 8359 1 18 . 1 1 92 92 GLN CA C 92 54.954 54.954 53.863 1.091 19415 8360 1 18 . 1 1 92 92 GLN CB C 92 30.026 30.026 32.635 -2.609 19415 8361 1 18 . 1 1 92 92 GLN H H 92 8.341 8.341 7.915 0.426 19415 8362 1 18 . 1 1 93 93 SER N N 93 116.734 116.734 115.777 0.957 19415 8363 1 18 . 1 1 93 93 SER C C 93 173.776 173.776 174.331 -0.555 19415 8364 1 18 . 1 1 93 93 SER CA C 93 59.491 59.491 58.363 1.128 19415 8365 1 18 . 1 1 93 93 SER CB C 93 63.707 63.707 64.072 -0.365 19415 8366 1 18 . 1 1 93 93 SER H H 93 8.656 8.656 8.722 -0.066 19415 8367 1 18 . 1 1 94 94 ILE N N 94 126.045 126.045 120.375 5.670 19415 8368 1 18 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.550 -0.208 19415 8369 1 18 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.780 -0.255 19415 8370 1 18 . 1 1 94 94 ILE CB C 94 39.907 39.907 40.989 -1.082 19415 8371 1 18 . 1 1 94 94 ILE H H 94 8.281 8.281 8.660 -0.379 19415 8372 1 18 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.812 -0.339 19415 8373 1 18 . 1 1 95 95 PRO C C 95 176.605 176.605 177.935 -1.330 19415 8374 1 18 . 1 1 95 95 PRO CA C 95 62.852 62.852 61.771 1.081 19415 8375 1 18 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.147 0.644 19415 8376 1 18 . 1 1 96 96 ALA N N 96 122.591 122.591 123.180 -0.589 19415 8377 1 18 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.146 -0.146 19415 8378 1 18 . 1 1 96 96 ALA C C 96 177.763 177.763 177.900 -0.137 19415 8379 1 18 . 1 1 96 96 ALA CA C 96 54.605 54.605 54.140 0.465 19415 8380 1 18 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.621 0.485 19415 8381 1 18 . 1 1 96 96 ALA H H 96 8.400 8.400 8.702 -0.302 19415 8382 1 18 . 1 1 97 97 SER N N 97 107.288 107.288 111.990 -4.702 19415 8383 1 18 . 1 1 97 97 SER HA H 97 4.270 4.270 4.436 -0.166 19415 8384 1 18 . 1 1 97 97 SER C C 97 174.625 174.625 174.738 -0.113 19415 8385 1 18 . 1 1 97 97 SER CA C 97 58.532 58.532 58.710 -0.178 19415 8386 1 18 . 1 1 97 97 SER CB C 97 63.538 63.538 63.477 0.061 19415 8387 1 18 . 1 1 97 97 SER H H 97 7.796 7.796 7.995 -0.199 19415 8388 1 18 . 1 1 98 98 GLU N N 98 124.231 124.231 123.714 0.517 19415 8389 1 18 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.501 -0.244 19415 8390 1 18 . 1 1 98 98 GLU C C 98 175.476 175.476 175.140 0.336 19415 8391 1 18 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.253 1.268 19415 8392 1 18 . 1 1 98 98 GLU CB C 98 31.081 31.081 29.942 1.139 19415 8393 1 18 . 1 1 98 98 GLU H H 98 7.649 7.649 7.490 0.159 19415 8394 1 18 . 1 1 99 99 LEU N N 99 122.696 122.696 126.661 -3.965 19415 8395 1 18 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.387 0.118 19415 8396 1 18 . 1 1 99 99 LEU C C 99 176.253 176.253 176.766 -0.513 19415 8397 1 18 . 1 1 99 99 LEU CA C 99 54.635 54.635 55.059 -0.424 19415 8398 1 18 . 1 1 99 99 LEU CB C 99 42.967 42.967 41.841 1.126 19415 8399 1 18 . 1 1 99 99 LEU H H 99 8.250 8.250 8.329 -0.079 19415 8400 1 18 . 1 1 100 100 VAL N N 100 112.933 112.933 117.842 -4.909 19415 8401 1 18 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.588 0.315 19415 8402 1 18 . 1 1 100 100 VAL C C 100 175.544 175.544 174.291 1.253 19415 8403 1 18 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.100 -0.353 19415 8404 1 18 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.792 1.106 19415 8405 1 18 . 1 1 100 100 VAL H H 100 8.934 8.934 9.029 -0.095 19415 8406 1 18 . 1 1 101 101 MET N N 101 116.964 116.964 122.772 -5.808 19415 8407 1 18 . 1 1 101 101 MET HA H 101 4.676 4.676 4.521 0.155 19415 8408 1 18 . 1 1 101 101 MET C C 101 175.197 175.197 174.803 0.394 19415 8409 1 18 . 1 1 101 101 MET CA C 101 52.397 52.397 55.118 -2.721 19415 8410 1 18 . 1 1 101 101 MET CB C 101 34.490 34.490 34.258 0.232 19415 8411 1 18 . 1 1 101 101 MET H H 101 8.299 8.299 8.062 0.237 19415 8412 1 18 . 1 1 102 102 ARG N N 102 122.278 122.278 121.178 1.100 19415 8413 1 18 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.893 0.261 19415 8414 1 18 . 1 1 102 102 ARG C C 102 175.008 175.008 174.213 0.795 19415 8415 1 18 . 1 1 102 102 ARG CA C 102 54.850 54.850 54.319 0.530 19415 8416 1 18 . 1 1 102 102 ARG CB C 102 32.335 32.335 33.472 -1.137 19415 8417 1 18 . 1 1 102 102 ARG H H 102 8.112 8.112 8.271 -0.159 19415 8418 1 18 . 1 1 103 103 ALA N N 103 123.373 123.373 123.258 0.115 19415 8419 1 18 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.618 -0.019 19415 8420 1 18 . 1 1 103 103 ALA C C 103 176.137 176.137 176.886 -0.749 19415 8421 1 18 . 1 1 103 103 ALA CA C 103 52.049 52.049 51.420 0.629 19415 8422 1 18 . 1 1 103 103 ALA CB C 103 21.835 21.835 20.407 1.428 19415 8423 1 18 . 1 1 103 103 ALA H H 103 8.129 8.129 8.634 -0.505 19415 8424 1 18 . 1 1 104 104 GLN N N 104 120.352 120.352 120.975 -0.623 19415 8425 1 18 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.331 -0.529 19415 8426 1 18 . 1 1 104 104 GLN C C 104 175.032 175.032 177.262 -2.230 19415 8427 1 18 . 1 1 104 104 GLN CA C 104 56.385 56.385 55.484 0.901 19415 8428 1 18 . 1 1 104 104 GLN CB C 104 25.801 25.801 27.058 -1.257 19415 8429 1 18 . 1 1 104 104 GLN H H 104 9.312 9.312 8.353 0.959 19415 8430 1 18 . 1 1 105 105 GLY N N 105 105.580 105.580 114.346 -8.766 19415 8431 1 18 . 1 1 105 105 GLY C C 105 173.414 173.414 174.572 -1.158 19415 8432 1 18 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.696 -0.221 19415 8433 1 18 . 1 1 105 105 GLY H H 105 8.493 8.493 8.237 0.256 19415 8434 1 18 . 1 1 106 106 ASN N N 106 120.347 120.347 121.662 -1.315 19415 8435 1 18 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.798 0.022 19415 8436 1 18 . 1 1 106 106 ASN C C 106 174.060 174.060 173.763 0.297 19415 8437 1 18 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.530 -0.753 19415 8438 1 18 . 1 1 106 106 ASN CB C 106 41.604 41.604 39.931 1.673 19415 8439 1 18 . 1 1 106 106 ASN H H 106 8.085 8.085 7.576 0.509 19415 8440 1 18 . 1 1 107 107 VAL N N 107 118.992 118.992 115.298 3.694 19415 8441 1 18 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.778 -0.004 19415 8442 1 18 . 1 1 107 107 VAL C C 107 173.066 173.066 173.972 -0.906 19415 8443 1 18 . 1 1 107 107 VAL CA C 107 60.576 60.576 59.554 1.022 19415 8444 1 18 . 1 1 107 107 VAL CB C 107 34.475 34.475 33.650 0.825 19415 8445 1 18 . 1 1 107 107 VAL H H 107 8.207 8.207 8.148 0.059 19415 8446 1 18 . 1 1 108 108 TYR N N 108 121.397 121.397 117.941 3.456 19415 8447 1 18 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.733 1.197 19415 8448 1 18 . 1 1 108 108 TYR C C 108 177.709 177.709 175.511 2.198 19415 8449 1 18 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.603 -0.601 19415 8450 1 18 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.354 0.584 19415 8451 1 18 . 1 1 108 108 TYR H H 108 8.681 8.681 8.837 -0.156 19415 8452 1 18 . 1 1 109 109 HIS N N 109 120.399 120.399 117.144 3.255 19415 8453 1 18 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.723 0.034 19415 8454 1 18 . 1 1 109 109 HIS C C 109 178.297 178.297 176.033 2.264 19415 8455 1 18 . 1 1 109 109 HIS CA C 109 59.269 59.269 54.808 4.461 19415 8456 1 18 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.541 -0.102 19415 8457 1 18 . 1 1 109 109 HIS H H 109 8.681 8.681 8.510 0.171 19415 8458 1 18 . 1 1 110 110 LEU N N 110 124.629 124.629 120.345 4.284 19415 8459 1 18 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.397 -0.515 19415 8460 1 18 . 1 1 110 110 LEU C C 110 180.956 180.956 178.400 2.556 19415 8461 1 18 . 1 1 110 110 LEU CA C 110 60.072 60.072 56.732 3.340 19415 8462 1 18 . 1 1 110 110 LEU CB C 110 40.482 40.482 41.818 -1.336 19415 8463 1 18 . 1 1 110 110 LEU H H 110 8.924 8.924 8.827 0.097 19415 8464 1 18 . 1 1 111 111 LYS N N 111 112.542 112.542 117.354 -4.812 19415 8465 1 18 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.291 -0.295 19415 8466 1 18 . 1 1 111 111 LYS C C 111 176.711 176.711 177.298 -0.587 19415 8467 1 18 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.072 -0.134 19415 8468 1 18 . 1 1 111 111 LYS CB C 111 31.709 31.709 32.353 -0.644 19415 8469 1 18 . 1 1 111 111 LYS H H 111 8.586 8.586 8.362 0.224 19415 8470 1 18 . 1 1 112 112 CYS N N 112 117.897 117.897 115.612 2.285 19415 8471 1 18 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.687 -0.295 19415 8472 1 18 . 1 1 112 112 CYS C C 112 173.923 173.923 175.824 -1.901 19415 8473 1 18 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.011 2.244 19415 8474 1 18 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.484 4.950 19415 8475 1 18 . 1 1 112 112 CYS H H 112 7.439 7.439 8.266 -0.827 19415 8476 1 18 . 1 1 113 113 PHE N N 113 126.150 126.150 125.210 0.940 19415 8477 1 18 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.221 -0.140 19415 8478 1 18 . 1 1 113 113 PHE C C 113 172.777 172.777 174.023 -1.246 19415 8479 1 18 . 1 1 113 113 PHE CA C 113 57.131 57.131 55.326 1.805 19415 8480 1 18 . 1 1 113 113 PHE CB C 113 36.809 36.809 36.802 0.007 19415 8481 1 18 . 1 1 113 113 PHE H H 113 7.467 7.467 8.095 -0.628 19415 8482 1 18 . 1 1 114 114 THR N N 114 112.302 112.302 111.407 0.895 19415 8483 1 18 . 1 1 114 114 THR HA H 114 4.577 4.577 4.803 -0.226 19415 8484 1 18 . 1 1 114 114 THR C C 114 172.592 172.592 173.417 -0.825 19415 8485 1 18 . 1 1 114 114 THR CA C 114 57.922 57.922 59.320 -1.398 19415 8486 1 18 . 1 1 114 114 THR CB C 114 72.187 72.187 71.662 0.525 19415 8487 1 18 . 1 1 114 114 THR H H 114 6.895 6.895 7.787 -0.892 19415 8488 1 18 . 1 1 115 115 CYS N N 115 121.388 121.388 120.817 0.571 19415 8489 1 18 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.308 -0.518 19415 8490 1 18 . 1 1 115 115 CYS C C 115 177.309 177.309 176.497 0.812 19415 8491 1 18 . 1 1 115 115 CYS CA C 115 59.284 59.284 59.269 0.015 19415 8492 1 18 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.602 3.019 19415 8493 1 18 . 1 1 115 115 CYS H H 115 7.981 7.981 8.510 -0.529 19415 8494 1 18 . 1 1 116 116 SER N N 116 127.333 127.333 122.653 4.680 19415 8495 1 18 . 1 1 116 116 SER HA H 116 4.066 4.066 4.562 -0.496 19415 8496 1 18 . 1 1 116 116 SER C C 116 174.522 174.522 174.971 -0.449 19415 8497 1 18 . 1 1 116 116 SER CA C 116 61.507 61.507 60.193 1.314 19415 8498 1 18 . 1 1 116 116 SER CB C 116 63.619 63.619 62.887 0.732 19415 8499 1 18 . 1 1 116 116 SER H H 116 9.064 9.064 9.002 0.062 19415 8500 1 18 . 1 1 117 117 THR N N 117 121.020 121.020 117.182 3.838 19415 8501 1 18 . 1 1 117 117 THR HA H 117 4.384 4.384 4.375 0.009 19415 8502 1 18 . 1 1 117 117 THR C C 117 174.713 174.713 175.429 -0.716 19415 8503 1 18 . 1 1 117 117 THR CA C 117 65.378 65.378 64.695 0.683 19415 8504 1 18 . 1 1 117 117 THR CB C 117 69.656 69.656 69.585 0.071 19415 8505 1 18 . 1 1 117 117 THR H H 117 8.939 8.939 7.906 1.033 19415 8506 1 18 . 1 1 118 118 CYS N N 118 120.215 120.215 116.537 3.678 19415 8507 1 18 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.897 -0.549 19415 8508 1 18 . 1 1 118 118 CYS C C 118 176.041 176.041 173.848 2.193 19415 8509 1 18 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.796 1.691 19415 8510 1 18 . 1 1 118 118 CYS CB C 118 29.824 29.824 28.847 0.977 19415 8511 1 18 . 1 1 118 118 CYS H H 118 8.180 8.180 7.770 0.410 19415 8512 1 18 . 1 1 119 119 ARG N N 119 114.664 114.664 118.915 -4.251 19415 8513 1 18 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.099 0.012 19415 8514 1 18 . 1 1 119 119 ARG C C 119 174.910 174.910 174.416 0.494 19415 8515 1 18 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.630 0.943 19415 8516 1 18 . 1 1 119 119 ARG CB C 119 26.358 26.358 28.181 -1.823 19415 8517 1 18 . 1 1 119 119 ARG H H 119 7.545 7.545 8.029 -0.484 19415 8518 1 18 . 1 1 120 120 ASN N N 120 118.962 118.962 116.843 2.119 19415 8519 1 18 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.594 0.158 19415 8520 1 18 . 1 1 120 120 ASN C C 120 175.950 175.950 175.278 0.672 19415 8521 1 18 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.072 0.432 19415 8522 1 18 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.410 -0.112 19415 8523 1 18 . 1 1 120 120 ASN H H 120 8.232 8.232 8.104 0.128 19415 8524 1 18 . 1 1 121 121 ARG N N 121 122.104 122.104 126.417 -4.313 19415 8525 1 18 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.188 -0.203 19415 8526 1 18 . 1 1 121 121 ARG C C 121 175.638 175.638 175.953 -0.315 19415 8527 1 18 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.021 1.163 19415 8528 1 18 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.388 0.179 19415 8529 1 18 . 1 1 121 121 ARG H H 121 8.603 8.603 8.606 -0.003 19415 8530 1 18 . 1 1 122 122 LEU N N 122 127.225 127.225 128.494 -1.269 19415 8531 1 18 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.175 0.354 19415 8532 1 18 . 1 1 122 122 LEU C C 122 175.345 175.345 176.493 -1.148 19415 8533 1 18 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.305 -1.478 19415 8534 1 18 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.309 -0.737 19415 8535 1 18 . 1 1 122 122 LEU H H 122 8.094 8.094 8.027 0.067 19415 8536 1 18 . 1 1 123 123 VAL N N 123 121.030 121.030 120.710 0.320 19415 8537 1 18 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.507 -0.032 19415 8538 1 18 . 1 1 123 123 VAL C C 123 173.190 173.190 173.865 -0.675 19415 8539 1 18 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.935 0.096 19415 8540 1 18 . 1 1 123 123 VAL CB C 123 31.454 31.454 35.444 -3.990 19415 8541 1 18 . 1 1 123 123 VAL H H 123 8.416 8.416 8.209 0.207 19415 8542 1 18 . 1 1 124 124 PRO HA H 124 3.640 3.640 3.945 -0.305 19415 8543 1 18 . 1 1 124 124 PRO C C 124 177.425 177.425 177.271 0.154 19415 8544 1 18 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.753 0.279 19415 8545 1 18 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.598 0.637 19415 8546 1 18 . 1 1 125 125 GLY N N 125 113.120 113.120 112.790 0.330 19415 8547 1 18 . 1 1 125 125 GLY C C 125 174.384 174.384 173.880 0.504 19415 8548 1 18 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.836 0.267 19415 8549 1 18 . 1 1 125 125 GLY H H 125 8.574 8.574 8.352 0.222 19415 8550 1 18 . 1 1 126 126 ASP N N 126 122.488 122.488 122.177 0.311 19415 8551 1 18 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.980 -0.257 19415 8552 1 18 . 1 1 126 126 ASP C C 126 176.558 176.558 174.801 1.757 19415 8553 1 18 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.718 1.606 19415 8554 1 18 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.090 -1.488 19415 8555 1 18 . 1 1 126 126 ASP H H 126 8.476 8.476 8.312 0.164 19415 8556 1 18 . 1 1 127 127 ARG N N 127 122.074 122.074 118.300 3.774 19415 8557 1 18 . 1 1 127 127 ARG HA H 127 5.047 5.047 4.926 0.121 19415 8558 1 18 . 1 1 127 127 ARG C C 127 175.671 175.671 175.341 0.330 19415 8559 1 18 . 1 1 127 127 ARG CA C 127 55.559 55.559 55.109 0.450 19415 8560 1 18 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.897 -1.035 19415 8561 1 18 . 1 1 127 127 ARG H H 127 8.697 8.697 8.312 0.385 19415 8562 1 18 . 1 1 128 128 PHE N N 128 120.179 120.179 118.688 1.491 19415 8563 1 18 . 1 1 128 128 PHE HA H 128 5.194 5.194 5.112 0.082 19415 8564 1 18 . 1 1 128 128 PHE C C 128 171.304 171.304 173.118 -1.814 19415 8565 1 18 . 1 1 128 128 PHE CA C 128 55.427 55.427 55.523 -0.096 19415 8566 1 18 . 1 1 128 128 PHE CB C 128 43.513 43.513 41.944 1.569 19415 8567 1 18 . 1 1 128 128 PHE H H 128 8.869 8.869 8.801 0.068 19415 8568 1 18 . 1 1 129 129 HIS N N 129 118.586 118.586 120.075 -1.489 19415 8569 1 18 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.818 -0.137 19415 8570 1 18 . 1 1 129 129 HIS C C 129 173.764 173.764 173.941 -0.177 19415 8571 1 18 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.747 0.063 19415 8572 1 18 . 1 1 129 129 HIS CB C 129 34.983 34.983 32.194 2.789 19415 8573 1 18 . 1 1 129 129 HIS H H 129 9.292 9.292 9.373 -0.081 19415 8574 1 18 . 1 1 130 130 TYR N N 130 125.995 125.995 128.555 -2.560 19415 8575 1 18 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.695 0.024 19415 8576 1 18 . 1 1 130 130 TYR C C 130 174.625 174.625 175.190 -0.565 19415 8577 1 18 . 1 1 130 130 TYR CA C 130 56.182 56.182 57.601 -1.419 19415 8578 1 18 . 1 1 130 130 TYR CB C 130 40.279 40.279 38.398 1.881 19415 8579 1 18 . 1 1 130 130 TYR H H 130 8.865 8.865 8.856 0.009 19415 8580 1 18 . 1 1 131 131 ILE N N 131 126.610 126.610 127.033 -0.423 19415 8581 1 18 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.312 0.011 19415 8582 1 18 . 1 1 131 131 ILE C C 131 175.516 175.516 175.381 0.135 19415 8583 1 18 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.381 -0.654 19415 8584 1 18 . 1 1 131 131 ILE CB C 131 41.170 41.170 40.011 1.159 19415 8585 1 18 . 1 1 131 131 ILE H H 131 8.889 8.889 8.917 -0.028 19415 8586 1 18 . 1 1 132 132 ASN N N 132 126.614 126.614 126.153 0.461 19415 8587 1 18 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.398 -0.037 19415 8588 1 18 . 1 1 132 132 ASN C C 132 175.421 175.421 174.922 0.499 19415 8589 1 18 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.432 0.500 19415 8590 1 18 . 1 1 132 132 ASN CB C 132 37.340 37.340 38.302 -0.962 19415 8591 1 18 . 1 1 132 132 ASN H H 132 9.375 9.375 9.283 0.092 19415 8592 1 18 . 1 1 133 133 GLY N N 133 102.667 102.667 102.444 0.223 19415 8593 1 18 . 1 1 133 133 GLY C C 133 173.969 173.969 173.067 0.902 19415 8594 1 18 . 1 1 133 133 GLY CA C 133 45.395 45.395 44.916 0.479 19415 8595 1 18 . 1 1 133 133 GLY H H 133 7.417 7.417 8.116 -0.699 19415 8596 1 18 . 1 1 134 134 SER N N 134 117.123 117.123 113.489 3.634 19415 8597 1 18 . 1 1 134 134 SER HA H 134 4.743 4.743 4.481 0.262 19415 8598 1 18 . 1 1 134 134 SER C C 134 170.825 170.825 172.630 -1.805 19415 8599 1 18 . 1 1 134 134 SER CA C 134 57.754 57.754 57.118 0.636 19415 8600 1 18 . 1 1 134 134 SER CB C 134 66.060 66.060 66.545 -0.485 19415 8601 1 18 . 1 1 134 134 SER H H 134 7.639 7.639 6.806 0.833 19415 8602 1 18 . 1 1 135 135 LEU N N 135 122.242 122.242 123.140 -0.898 19415 8603 1 18 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.959 0.255 19415 8604 1 18 . 1 1 135 135 LEU C C 135 177.735 177.735 175.216 2.519 19415 8605 1 18 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.503 -1.074 19415 8606 1 18 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.520 2.165 19415 8607 1 18 . 1 1 135 135 LEU H H 135 8.236 8.236 8.362 -0.126 19415 8608 1 18 . 1 1 136 136 PHE N N 136 118.689 118.689 122.010 -3.321 19415 8609 1 18 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.042 0.948 19415 8610 1 18 . 1 1 136 136 PHE C C 136 175.971 175.971 175.635 0.336 19415 8611 1 18 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.715 0.189 19415 8612 1 18 . 1 1 136 136 PHE CB C 136 44.329 44.329 42.347 1.982 19415 8613 1 18 . 1 1 136 136 PHE H H 136 9.221 9.221 9.381 -0.160 19415 8614 1 18 . 1 1 137 137 CYS N N 137 121.328 121.328 118.253 3.075 19415 8615 1 18 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.286 -0.320 19415 8616 1 18 . 1 1 137 137 CYS C C 137 175.030 175.030 175.879 -0.849 19415 8617 1 18 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.006 1.547 19415 8618 1 18 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.811 -1.586 19415 8619 1 18 . 1 1 137 137 CYS H H 137 9.716 9.716 9.334 0.382 19415 8620 1 18 . 1 1 138 138 GLU N N 138 118.055 118.055 119.755 -1.700 19415 8621 1 18 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.308 -0.165 19415 8622 1 18 . 1 1 138 138 GLU C C 138 178.535 178.535 177.695 0.840 19415 8623 1 18 . 1 1 138 138 GLU CA C 138 59.569 59.569 58.635 0.934 19415 8624 1 18 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.311 0.584 19415 8625 1 18 . 1 1 138 138 GLU H H 138 8.476 8.476 9.047 -0.571 19415 8626 1 18 . 1 1 139 139 HIS N N 139 117.190 117.190 118.755 -1.565 19415 8627 1 18 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.468 -0.038 19415 8628 1 18 . 1 1 139 139 HIS C C 139 175.584 175.584 176.274 -0.690 19415 8629 1 18 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.387 -0.257 19415 8630 1 18 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.291 -1.345 19415 8631 1 18 . 1 1 139 139 HIS H H 139 8.365 8.365 7.864 0.501 19415 8632 1 18 . 1 1 140 140 ASP N N 140 118.373 118.373 117.120 1.253 19415 8633 1 18 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.343 0.613 19415 8634 1 18 . 1 1 140 140 ASP C C 140 174.258 174.258 176.790 -2.532 19415 8635 1 18 . 1 1 140 140 ASP CA C 140 54.319 54.319 54.708 -0.389 19415 8636 1 18 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.800 0.517 19415 8637 1 18 . 1 1 140 140 ASP H H 140 8.082 8.082 7.914 0.168 19415 8638 1 18 . 1 1 141 141 ARG N N 141 121.880 121.880 121.252 0.628 19415 8639 1 18 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.928 -0.312 19415 8640 1 18 . 1 1 141 141 ARG C C 141 173.939 173.939 174.364 -0.425 19415 8641 1 18 . 1 1 141 141 ARG CA C 141 54.722 54.722 56.169 -1.447 19415 8642 1 18 . 1 1 141 141 ARG CB C 141 29.423 29.423 29.246 0.177 19415 8643 1 18 . 1 1 141 141 ARG H H 141 7.120 7.120 7.910 -0.790 19415 8644 1 18 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.299 -0.049 19415 8645 1 18 . 1 1 142 142 PRO C C 142 176.688 176.688 176.394 0.294 19415 8646 1 18 . 1 1 142 142 PRO CA C 142 62.699 62.699 63.066 -0.367 19415 8647 1 18 . 1 1 142 142 PRO CB C 142 31.249 31.249 32.065 -0.816 19415 8648 1 18 . 1 1 143 143 THR N N 143 115.472 115.472 117.373 -1.901 19415 8649 1 18 . 1 1 143 143 THR HA H 143 3.924 3.924 4.230 -0.306 19415 8650 1 18 . 1 1 143 143 THR C C 143 174.890 174.890 176.610 -1.720 19415 8651 1 18 . 1 1 143 143 THR CA C 143 63.099 63.099 63.792 -0.693 19415 8652 1 18 . 1 1 143 143 THR CB C 143 69.197 69.197 69.129 0.068 19415 8653 1 18 . 1 1 143 143 THR H H 143 8.015 8.015 8.417 -0.402 19415 8654 1 18 . 1 1 144 144 ALA N N 144 124.502 124.502 123.621 0.881 19415 8655 1 18 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.197 0.003 19415 8656 1 18 . 1 1 144 144 ALA C C 144 177.656 177.656 177.803 -0.147 19415 8657 1 18 . 1 1 144 144 ALA CA C 144 52.807 52.807 53.531 -0.724 19415 8658 1 18 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.861 0.144 19415 8659 1 18 . 1 1 144 144 ALA H H 144 8.130 8.130 7.801 0.329 19415 8660 1 18 . 1 1 145 145 LEU N N 145 119.506 119.506 119.756 -0.250 19415 8661 1 18 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.407 -0.131 19415 8662 1 18 . 1 1 145 145 LEU C C 145 177.574 177.574 174.955 2.619 19415 8663 1 18 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.647 0.420 19415 8664 1 18 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.863 -0.632 19415 8665 1 18 . 1 1 145 145 LEU H H 145 7.897 7.897 7.601 0.296 19415 8666 1 18 . 1 1 146 146 ILE N N 146 120.683 120.683 123.659 -2.976 19415 8667 1 18 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.084 -0.029 19415 8668 1 18 . 1 1 146 146 ILE C C 146 176.259 176.259 173.992 2.267 19415 8669 1 18 . 1 1 146 146 ILE CA C 146 61.486 61.486 60.207 1.279 19415 8670 1 18 . 1 1 146 146 ILE CB C 146 38.629 38.629 40.871 -2.242 19415 8671 1 18 . 1 1 146 146 ILE H H 146 7.842 7.842 8.024 -0.182 19415 8672 1 18 . 1 1 405 405 ALA N N 405 133.214 133.214 126.792 6.422 19415 8673 1 18 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.523 -0.052 19415 8674 1 18 . 1 1 405 405 ALA CA C 405 50.818 50.818 52.024 -1.206 19415 8675 1 18 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.725 -1.678 19415 8676 1 18 . 1 1 405 405 ALA H H 405 9.651 9.651 8.432 1.219 19415 8677 1 18 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.528 0.059 19415 8678 1 18 . 1 1 406 406 PRO C C 406 174.175 174.175 176.217 -2.042 19415 8679 1 18 . 1 1 406 406 PRO CA C 406 61.942 61.942 63.433 -1.491 19415 8680 1 18 . 1 1 406 406 PRO CB C 406 32.989 32.989 31.785 1.204 19415 8681 1 18 . 1 1 407 407 PHE N N 407 113.077 113.077 112.879 0.198 19415 8682 1 18 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.173 0.331 19415 8683 1 18 . 1 1 407 407 PHE C C 407 174.954 174.954 173.408 1.546 19415 8684 1 18 . 1 1 407 407 PHE CA C 407 57.263 57.263 57.948 -0.685 19415 8685 1 18 . 1 1 407 407 PHE CB C 407 38.318 38.318 37.950 0.368 19415 8686 1 18 . 1 1 407 407 PHE H H 407 7.899 7.899 7.440 0.459 19415 8687 1 18 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.539 0.214 19415 8688 1 18 . 1 1 408 408 PRO C C 408 175.865 175.865 175.514 0.351 19415 8689 1 18 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.771 0.155 19415 8690 1 18 . 1 1 408 408 PRO CB C 408 33.457 33.457 32.233 1.224 19415 8691 1 18 . 1 1 409 409 GLU N N 409 119.349 119.349 123.165 -3.816 19415 8692 1 18 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.623 0.100 19415 8693 1 18 . 1 1 409 409 GLU C C 409 174.291 174.291 174.988 -0.697 19415 8694 1 18 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.517 -0.337 19415 8695 1 18 . 1 1 409 409 GLU CB C 409 34.429 34.429 34.340 0.090 19415 8696 1 18 . 1 1 409 409 GLU H H 409 8.813 8.813 8.959 -0.146 19415 8697 1 18 . 1 1 410 410 ALA N N 410 124.017 124.017 121.152 2.865 19415 8698 1 18 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.671 -0.340 19415 8699 1 18 . 1 1 410 410 ALA C C 410 178.181 178.181 176.817 1.364 19415 8700 1 18 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.403 -0.162 19415 8701 1 18 . 1 1 410 410 ALA CB C 410 19.102 19.102 20.096 -0.994 19415 8702 1 18 . 1 1 410 410 ALA H H 410 8.562 8.562 8.410 0.152 19415 8703 1 18 . 1 1 411 411 ALA N N 411 124.837 124.837 124.902 -0.065 19415 8704 1 18 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.542 -0.613 19415 8705 1 18 . 1 1 411 411 ALA C C 411 178.042 178.042 177.125 0.917 19415 8706 1 18 . 1 1 411 411 ALA CA C 411 54.247 54.247 51.573 2.674 19415 8707 1 18 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.497 -0.767 19415 8708 1 18 . 1 1 411 411 ALA H H 411 8.475 8.475 8.186 0.289 19415 8709 1 18 . 1 1 412 412 LEU N N 412 119.893 119.893 122.473 -2.580 19415 8710 1 18 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.673 0.035 19415 8711 1 18 . 1 1 412 412 LEU C C 412 174.281 174.281 174.959 -0.678 19415 8712 1 18 . 1 1 412 412 LEU CA C 412 52.130 52.130 52.042 0.088 19415 8713 1 18 . 1 1 412 412 LEU CB C 412 42.645 42.645 41.315 1.330 19415 8714 1 18 . 1 1 412 412 LEU H H 412 8.075 8.075 8.183 -0.108 19415 8715 1 18 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.480 -0.027 19415 8716 1 18 . 1 1 413 413 PRO C C 413 177.094 177.094 176.593 0.501 19415 8717 1 18 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.754 0.247 19415 8718 1 18 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.299 -0.120 19415 8719 1 18 . 1 1 414 414 THR N N 414 114.256 114.256 116.456 -2.200 19415 8720 1 18 . 1 1 414 414 THR HA H 414 4.294 4.294 4.209 0.085 19415 8721 1 18 . 1 1 414 414 THR C C 414 174.480 174.480 174.991 -0.511 19415 8722 1 18 . 1 1 414 414 THR CA C 414 61.757 61.757 63.041 -1.284 19415 8723 1 18 . 1 1 414 414 THR CB C 414 69.712 69.712 69.255 0.457 19415 8724 1 18 . 1 1 414 414 THR H H 414 8.177 8.177 8.229 -0.052 19415 8725 1 18 . 1 1 415 415 SER N N 415 117.918 117.918 119.956 -2.038 19415 8726 1 18 . 1 1 415 415 SER HA H 415 4.424 4.424 3.997 0.427 19415 8727 1 18 . 1 1 415 415 SER C C 415 173.689 173.689 174.850 -1.161 19415 8728 1 18 . 1 1 415 415 SER CA C 415 58.072 58.072 59.341 -1.269 19415 8729 1 18 . 1 1 415 415 SER CB C 415 63.852 63.852 63.142 0.711 19415 8730 1 18 . 1 1 415 415 SER H H 415 8.193 8.193 8.341 -0.148 19415 8731 1 18 . 1 1 416 416 HIS N N 416 121.537 121.537 123.694 -2.157 19415 8732 1 18 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.908 0.034 19415 8733 1 18 . 1 1 416 416 HIS C C 416 172.547 172.547 174.024 -1.477 19415 8734 1 18 . 1 1 416 416 HIS CA C 416 53.702 53.702 53.733 -0.032 19415 8735 1 18 . 1 1 416 416 HIS CB C 416 29.462 29.462 29.212 0.250 19415 8736 1 18 . 1 1 416 416 HIS H H 416 8.373 8.373 7.662 0.711 19415 8737 1 18 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.541 -0.120 19415 8738 1 18 . 1 1 417 417 PRO C C 417 176.060 176.060 176.692 -0.632 19415 8739 1 18 . 1 1 417 417 PRO CA C 417 63.448 63.448 63.319 0.129 19415 8740 1 18 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.321 -0.162 19415 8741 1 18 . 1 1 902 902 GLY N N 902 108.524 108.524 110.808 -2.284 19415 8742 1 18 . 1 1 902 902 GLY CA C 902 45.359 45.359 46.284 -0.925 19415 8743 1 18 . 1 1 902 902 GLY H H 902 8.196 8.196 8.350 -0.154 19415 8744 1 18 . 1 1 903 903 SER N N 903 115.821 115.821 119.082 -3.261 19415 8745 1 18 . 1 1 903 903 SER HA H 903 4.403 4.403 4.363 0.040 19415 8746 1 18 . 1 1 903 903 SER CA C 903 58.602 58.602 59.331 -0.729 19415 8747 1 18 . 1 1 903 903 SER CB C 903 63.762 63.762 63.598 0.164 19415 8748 1 18 . 1 1 903 903 SER H H 903 8.354 8.354 7.855 0.499 19415 8749 1 18 . 1 1 904 904 GLY N N 904 110.847 110.847 110.203 0.644 19415 8750 1 18 . 1 1 904 904 GLY C C 904 174.889 174.889 175.115 -0.226 19415 8751 1 18 . 1 1 904 904 GLY CA C 904 45.594 45.594 44.814 0.780 19415 8752 1 18 . 1 1 904 904 GLY H H 904 8.558 8.558 8.302 0.256 19415 8753 1 18 . 1 1 905 905 GLY N N 905 108.922 108.922 114.531 -5.609 19415 8754 1 18 . 1 1 905 905 GLY C C 905 174.452 174.452 174.918 -0.466 19415 8755 1 18 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.772 0.777 19415 8756 1 18 . 1 1 905 905 GLY H H 905 8.307 8.307 8.329 -0.022 19415 8757 1 18 . 1 1 906 906 SER N N 906 115.224 115.224 115.131 0.093 19415 8758 1 18 . 1 1 906 906 SER HA H 906 4.552 4.552 4.112 0.440 19415 8759 1 18 . 1 1 906 906 SER C C 906 175.108 175.108 174.621 0.487 19415 8760 1 18 . 1 1 906 906 SER CA C 906 58.647 58.647 60.220 -1.573 19415 8761 1 18 . 1 1 906 906 SER CB C 906 64.091 64.091 62.265 1.826 19415 8762 1 18 . 1 1 906 906 SER H H 906 8.362 8.362 7.645 0.717 19415 8763 1 18 . 1 1 907 907 GLY N N 907 110.875 110.875 110.022 0.853 19415 8764 1 18 . 1 1 907 907 GLY C C 907 173.335 173.335 172.874 0.461 19415 8765 1 18 . 1 1 907 907 GLY CA C 907 45.010 45.010 43.645 1.365 19415 8766 1 18 . 1 1 907 907 GLY H H 907 8.437 8.437 7.613 0.824 19415 8767 1 19 . 1 1 78 78 ILE N N 78 124.415 124.415 121.039 3.376 19415 8768 1 19 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.767 -0.725 19415 8769 1 19 . 1 1 78 78 ILE C C 78 175.260 175.260 176.386 -1.126 19415 8770 1 19 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.671 -0.944 19415 8771 1 19 . 1 1 78 78 ILE CB C 78 38.922 38.922 36.769 2.153 19415 8772 1 19 . 1 1 78 78 ILE H H 78 8.025 8.025 8.000 0.025 19415 8773 1 19 . 1 1 79 79 ARG N N 79 125.999 125.999 122.672 3.327 19415 8774 1 19 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.555 -0.340 19415 8775 1 19 . 1 1 79 79 ARG C C 79 175.494 175.494 174.882 0.612 19415 8776 1 19 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.580 0.276 19415 8777 1 19 . 1 1 79 79 ARG CB C 79 30.774 30.774 32.082 -1.308 19415 8778 1 19 . 1 1 79 79 ARG H H 79 8.249 8.249 7.949 0.300 19415 8779 1 19 . 1 1 80 80 LEU N N 80 124.427 124.427 116.093 8.334 19415 8780 1 19 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.743 -0.451 19415 8781 1 19 . 1 1 80 80 LEU C C 80 176.785 176.785 175.119 1.666 19415 8782 1 19 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.020 1.800 19415 8783 1 19 . 1 1 80 80 LEU CB C 80 42.520 42.520 44.444 -1.925 19415 8784 1 19 . 1 1 80 80 LEU H H 80 8.190 8.190 7.158 1.032 19415 8785 1 19 . 1 1 81 81 PHE N N 81 120.462 120.462 120.188 0.274 19415 8786 1 19 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.581 0.043 19415 8787 1 19 . 1 1 81 81 PHE C C 81 176.212 176.212 176.222 -0.010 19415 8788 1 19 . 1 1 81 81 PHE CA C 81 57.570 57.570 58.022 -0.452 19415 8789 1 19 . 1 1 81 81 PHE CB C 81 39.802 39.802 38.487 1.315 19415 8790 1 19 . 1 1 81 81 PHE H H 81 8.244 8.244 8.285 -0.041 19415 8791 1 19 . 1 1 82 82 GLY N N 82 110.003 110.003 112.904 -2.901 19415 8792 1 19 . 1 1 82 82 GLY C C 82 173.730 173.730 173.461 0.269 19415 8793 1 19 . 1 1 82 82 GLY CA C 82 45.415 45.415 45.060 0.354 19415 8794 1 19 . 1 1 82 82 GLY H H 82 8.351 8.351 8.567 -0.216 19415 8795 1 19 . 1 1 83 83 ASN N N 83 118.840 118.840 117.006 1.834 19415 8796 1 19 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.459 0.335 19415 8797 1 19 . 1 1 83 83 ASN C C 83 175.312 175.312 173.990 1.322 19415 8798 1 19 . 1 1 83 83 ASN CA C 83 52.996 52.996 53.733 -0.737 19415 8799 1 19 . 1 1 83 83 ASN CB C 83 39.137 39.137 37.845 1.292 19415 8800 1 19 . 1 1 83 83 ASN H H 83 8.325 8.325 8.199 0.126 19415 8801 1 19 . 1 1 84 84 SER N N 84 116.555 116.555 114.561 1.994 19415 8802 1 19 . 1 1 84 84 SER CA C 84 58.823 58.823 58.985 -0.162 19415 8803 1 19 . 1 1 84 84 SER CB C 84 63.887 63.887 65.495 -1.608 19415 8804 1 19 . 1 1 84 84 SER H H 84 8.463 8.463 8.551 -0.088 19415 8805 1 19 . 1 1 85 85 GLY N N 85 109.826 109.826 109.160 0.666 19415 8806 1 19 . 1 1 85 85 GLY C C 85 172.709 172.709 171.387 1.322 19415 8807 1 19 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.578 -0.425 19415 8808 1 19 . 1 1 85 85 GLY H H 85 8.341 8.341 7.680 0.661 19415 8809 1 19 . 1 1 86 86 ALA N N 86 122.100 122.100 123.511 -1.411 19415 8810 1 19 . 1 1 86 86 ALA HA H 86 4.447 4.447 5.072 -0.625 19415 8811 1 19 . 1 1 86 86 ALA C C 86 175.383 175.383 175.250 0.133 19415 8812 1 19 . 1 1 86 86 ALA CA C 86 50.523 50.523 49.866 0.657 19415 8813 1 19 . 1 1 86 86 ALA CB C 86 20.712 20.712 22.043 -1.331 19415 8814 1 19 . 1 1 86 86 ALA H H 86 7.703 7.703 7.308 0.395 19415 8815 1 19 . 1 1 87 87 CYS N N 87 121.922 121.922 118.362 3.560 19415 8816 1 19 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.274 -0.077 19415 8817 1 19 . 1 1 87 87 CYS C C 87 178.454 178.454 176.939 1.515 19415 8818 1 19 . 1 1 87 87 CYS CA C 87 58.515 58.515 58.602 -0.087 19415 8819 1 19 . 1 1 87 87 CYS CB C 87 31.600 31.600 27.980 3.620 19415 8820 1 19 . 1 1 87 87 CYS H H 87 7.968 7.968 8.163 -0.195 19415 8821 1 19 . 1 1 88 88 SER N N 88 126.804 126.804 122.085 4.719 19415 8822 1 19 . 1 1 88 88 SER HA H 88 4.174 4.174 4.438 -0.264 19415 8823 1 19 . 1 1 88 88 SER C C 88 173.647 173.647 175.257 -1.610 19415 8824 1 19 . 1 1 88 88 SER CA C 88 62.158 62.158 60.889 1.269 19415 8825 1 19 . 1 1 88 88 SER CB C 88 63.401 63.401 62.981 0.420 19415 8826 1 19 . 1 1 88 88 SER H H 88 9.202 9.202 8.583 0.619 19415 8827 1 19 . 1 1 89 89 ALA N N 89 123.763 123.763 123.290 0.473 19415 8828 1 19 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.672 0.164 19415 8829 1 19 . 1 1 89 89 ALA C C 89 178.007 178.007 179.026 -1.019 19415 8830 1 19 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.709 0.224 19415 8831 1 19 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.194 2.051 19415 8832 1 19 . 1 1 89 89 ALA H H 89 8.964 8.964 7.897 1.067 19415 8833 1 19 . 1 1 90 90 CYS N N 90 115.099 115.099 117.465 -2.366 19415 8834 1 19 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.360 0.672 19415 8835 1 19 . 1 1 90 90 CYS C C 90 177.164 177.164 176.028 1.136 19415 8836 1 19 . 1 1 90 90 CYS CA C 90 58.754 58.754 61.370 -2.616 19415 8837 1 19 . 1 1 90 90 CYS CB C 90 31.688 31.688 27.012 4.676 19415 8838 1 19 . 1 1 90 90 CYS H H 90 8.078 8.078 7.989 0.089 19415 8839 1 19 . 1 1 91 91 GLY N N 91 112.869 112.869 106.254 6.615 19415 8840 1 19 . 1 1 91 91 GLY C C 91 173.725 173.725 173.896 -0.171 19415 8841 1 19 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.110 1.193 19415 8842 1 19 . 1 1 91 91 GLY H H 91 7.996 7.996 8.253 -0.257 19415 8843 1 19 . 1 1 92 92 GLN N N 92 119.848 119.848 118.913 0.935 19415 8844 1 19 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.347 0.228 19415 8845 1 19 . 1 1 92 92 GLN C C 92 176.015 176.015 176.222 -0.207 19415 8846 1 19 . 1 1 92 92 GLN CA C 92 54.954 54.954 55.679 -0.725 19415 8847 1 19 . 1 1 92 92 GLN CB C 92 30.026 30.026 29.818 0.208 19415 8848 1 19 . 1 1 92 92 GLN H H 92 8.341 8.341 8.143 0.198 19415 8849 1 19 . 1 1 93 93 SER N N 93 116.734 116.734 117.428 -0.694 19415 8850 1 19 . 1 1 93 93 SER C C 93 173.776 173.776 174.967 -1.191 19415 8851 1 19 . 1 1 93 93 SER CA C 93 59.491 59.491 58.939 0.552 19415 8852 1 19 . 1 1 93 93 SER CB C 93 63.707 63.707 63.605 0.102 19415 8853 1 19 . 1 1 93 93 SER H H 93 8.656 8.656 8.556 0.100 19415 8854 1 19 . 1 1 94 94 ILE N N 94 126.045 126.045 126.459 -0.414 19415 8855 1 19 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.501 -0.159 19415 8856 1 19 . 1 1 94 94 ILE CA C 94 58.525 58.525 59.310 -0.785 19415 8857 1 19 . 1 1 94 94 ILE CB C 94 39.907 39.907 37.949 1.958 19415 8858 1 19 . 1 1 94 94 ILE H H 94 8.281 8.281 8.019 0.262 19415 8859 1 19 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.562 -0.089 19415 8860 1 19 . 1 1 95 95 PRO C C 95 176.605 176.605 177.708 -1.103 19415 8861 1 19 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.038 0.813 19415 8862 1 19 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.014 0.777 19415 8863 1 19 . 1 1 96 96 ALA N N 96 122.591 122.591 122.890 -0.299 19415 8864 1 19 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.181 -0.181 19415 8865 1 19 . 1 1 96 96 ALA C C 96 177.763 177.763 177.369 0.394 19415 8866 1 19 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.940 0.665 19415 8867 1 19 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.229 0.877 19415 8868 1 19 . 1 1 96 96 ALA H H 96 8.400 8.400 8.573 -0.173 19415 8869 1 19 . 1 1 97 97 SER N N 97 107.288 107.288 111.882 -4.594 19415 8870 1 19 . 1 1 97 97 SER HA H 97 4.270 4.270 4.468 -0.198 19415 8871 1 19 . 1 1 97 97 SER C C 97 174.625 174.625 174.300 0.325 19415 8872 1 19 . 1 1 97 97 SER CA C 97 58.532 58.532 57.951 0.581 19415 8873 1 19 . 1 1 97 97 SER CB C 97 63.538 63.538 63.498 0.040 19415 8874 1 19 . 1 1 97 97 SER H H 97 7.796 7.796 7.941 -0.145 19415 8875 1 19 . 1 1 98 98 GLU N N 98 124.231 124.231 123.806 0.425 19415 8876 1 19 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.455 -0.198 19415 8877 1 19 . 1 1 98 98 GLU C C 98 175.476 175.476 174.601 0.875 19415 8878 1 19 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.769 0.752 19415 8879 1 19 . 1 1 98 98 GLU CB C 98 31.081 31.081 30.741 0.340 19415 8880 1 19 . 1 1 98 98 GLU H H 98 7.649 7.649 7.458 0.191 19415 8881 1 19 . 1 1 99 99 LEU N N 99 122.696 122.696 127.890 -5.194 19415 8882 1 19 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.414 0.091 19415 8883 1 19 . 1 1 99 99 LEU C C 99 176.253 176.253 176.292 -0.039 19415 8884 1 19 . 1 1 99 99 LEU CA C 99 54.635 54.635 54.553 0.082 19415 8885 1 19 . 1 1 99 99 LEU CB C 99 42.967 42.967 42.063 0.904 19415 8886 1 19 . 1 1 99 99 LEU H H 99 8.250 8.250 8.571 -0.321 19415 8887 1 19 . 1 1 100 100 VAL N N 100 112.933 112.933 120.582 -7.649 19415 8888 1 19 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.445 0.458 19415 8889 1 19 . 1 1 100 100 VAL C C 100 175.544 175.544 174.754 0.790 19415 8890 1 19 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.921 -1.174 19415 8891 1 19 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.026 1.871 19415 8892 1 19 . 1 1 100 100 VAL H H 100 8.934 8.934 8.892 0.042 19415 8893 1 19 . 1 1 101 101 MET N N 101 116.964 116.964 125.019 -8.055 19415 8894 1 19 . 1 1 101 101 MET HA H 101 4.676 4.676 4.380 0.296 19415 8895 1 19 . 1 1 101 101 MET C C 101 175.197 175.197 174.843 0.354 19415 8896 1 19 . 1 1 101 101 MET CA C 101 52.397 52.397 55.163 -2.765 19415 8897 1 19 . 1 1 101 101 MET CB C 101 34.490 34.490 32.695 1.795 19415 8898 1 19 . 1 1 101 101 MET H H 101 8.299 8.299 8.189 0.110 19415 8899 1 19 . 1 1 102 102 ARG N N 102 122.278 122.278 125.170 -2.892 19415 8900 1 19 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.755 0.399 19415 8901 1 19 . 1 1 102 102 ARG C C 102 175.008 175.008 175.099 -0.091 19415 8902 1 19 . 1 1 102 102 ARG CA C 102 54.850 54.850 54.383 0.467 19415 8903 1 19 . 1 1 102 102 ARG CB C 102 32.335 32.335 30.949 1.386 19415 8904 1 19 . 1 1 102 102 ARG H H 102 8.112 8.112 7.793 0.319 19415 8905 1 19 . 1 1 103 103 ALA N N 103 123.373 123.373 128.238 -4.865 19415 8906 1 19 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.198 0.401 19415 8907 1 19 . 1 1 103 103 ALA C C 103 176.137 176.137 177.496 -1.359 19415 8908 1 19 . 1 1 103 103 ALA CA C 103 52.049 52.049 54.220 -2.171 19415 8909 1 19 . 1 1 103 103 ALA CB C 103 21.835 21.835 19.469 2.366 19415 8910 1 19 . 1 1 103 103 ALA H H 103 8.129 8.129 8.652 -0.523 19415 8911 1 19 . 1 1 104 104 GLN N N 104 120.352 120.352 115.205 5.147 19415 8912 1 19 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.319 -0.517 19415 8913 1 19 . 1 1 104 104 GLN C C 104 175.032 175.032 177.484 -2.452 19415 8914 1 19 . 1 1 104 104 GLN CA C 104 56.385 56.385 56.510 -0.125 19415 8915 1 19 . 1 1 104 104 GLN CB C 104 25.801 25.801 28.916 -3.115 19415 8916 1 19 . 1 1 104 104 GLN H H 104 9.312 9.312 7.537 1.775 19415 8917 1 19 . 1 1 105 105 GLY N N 105 105.580 105.580 109.879 -4.299 19415 8918 1 19 . 1 1 105 105 GLY C C 105 173.414 173.414 174.619 -1.205 19415 8919 1 19 . 1 1 105 105 GLY CA C 105 45.475 45.475 44.959 0.516 19415 8920 1 19 . 1 1 105 105 GLY H H 105 8.493 8.493 8.588 -0.095 19415 8921 1 19 . 1 1 106 106 ASN N N 106 120.347 120.347 118.741 1.606 19415 8922 1 19 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.771 0.049 19415 8923 1 19 . 1 1 106 106 ASN C C 106 174.060 174.060 173.364 0.696 19415 8924 1 19 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.710 -0.933 19415 8925 1 19 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.045 1.559 19415 8926 1 19 . 1 1 106 106 ASN H H 106 8.085 8.085 7.653 0.432 19415 8927 1 19 . 1 1 107 107 VAL N N 107 118.992 118.992 121.700 -2.708 19415 8928 1 19 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.136 0.638 19415 8929 1 19 . 1 1 107 107 VAL C C 107 173.066 173.066 172.994 0.072 19415 8930 1 19 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.410 0.166 19415 8931 1 19 . 1 1 107 107 VAL CB C 107 34.475 34.475 34.107 0.368 19415 8932 1 19 . 1 1 107 107 VAL H H 107 8.207 8.207 8.325 -0.118 19415 8933 1 19 . 1 1 108 108 TYR N N 108 121.397 121.397 121.619 -0.222 19415 8934 1 19 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.657 1.273 19415 8935 1 19 . 1 1 108 108 TYR C C 108 177.709 177.709 174.865 2.844 19415 8936 1 19 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.660 -0.658 19415 8937 1 19 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.409 0.529 19415 8938 1 19 . 1 1 108 108 TYR H H 108 8.681 8.681 8.363 0.318 19415 8939 1 19 . 1 1 109 109 HIS N N 109 120.399 120.399 116.313 4.086 19415 8940 1 19 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.797 -0.040 19415 8941 1 19 . 1 1 109 109 HIS C C 109 178.297 178.297 176.650 1.647 19415 8942 1 19 . 1 1 109 109 HIS CA C 109 59.269 59.269 54.851 4.418 19415 8943 1 19 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.592 -0.153 19415 8944 1 19 . 1 1 109 109 HIS H H 109 8.681 8.681 8.735 -0.054 19415 8945 1 19 . 1 1 110 110 LEU N N 110 124.629 124.629 119.520 5.109 19415 8946 1 19 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.326 -0.444 19415 8947 1 19 . 1 1 110 110 LEU C C 110 180.956 180.956 178.383 2.573 19415 8948 1 19 . 1 1 110 110 LEU CA C 110 60.072 60.072 57.383 2.689 19415 8949 1 19 . 1 1 110 110 LEU CB C 110 40.482 40.482 41.748 -1.266 19415 8950 1 19 . 1 1 110 110 LEU H H 110 8.924 8.924 8.783 0.141 19415 8951 1 19 . 1 1 111 111 LYS N N 111 112.542 112.542 119.116 -6.574 19415 8952 1 19 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.187 -0.191 19415 8953 1 19 . 1 1 111 111 LYS C C 111 176.711 176.711 178.175 -1.464 19415 8954 1 19 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.661 -0.724 19415 8955 1 19 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.622 0.087 19415 8956 1 19 . 1 1 111 111 LYS H H 111 8.586 8.586 8.199 0.387 19415 8957 1 19 . 1 1 112 112 CYS N N 112 117.897 117.897 116.510 1.387 19415 8958 1 19 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.557 -0.165 19415 8959 1 19 . 1 1 112 112 CYS C C 112 173.923 173.923 175.703 -1.780 19415 8960 1 19 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.826 1.429 19415 8961 1 19 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.238 5.196 19415 8962 1 19 . 1 1 112 112 CYS H H 112 7.439 7.439 8.348 -0.909 19415 8963 1 19 . 1 1 113 113 PHE N N 113 126.150 126.150 125.632 0.518 19415 8964 1 19 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.209 -0.128 19415 8965 1 19 . 1 1 113 113 PHE C C 113 172.777 172.777 173.868 -1.091 19415 8966 1 19 . 1 1 113 113 PHE CA C 113 57.131 57.131 57.029 0.102 19415 8967 1 19 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.516 -0.707 19415 8968 1 19 . 1 1 113 113 PHE H H 113 7.467 7.467 7.842 -0.375 19415 8969 1 19 . 1 1 114 114 THR N N 114 112.302 112.302 116.278 -3.976 19415 8970 1 19 . 1 1 114 114 THR HA H 114 4.577 4.577 4.818 -0.241 19415 8971 1 19 . 1 1 114 114 THR C C 114 172.592 172.592 173.277 -0.685 19415 8972 1 19 . 1 1 114 114 THR CA C 114 57.922 57.922 59.746 -1.824 19415 8973 1 19 . 1 1 114 114 THR CB C 114 72.187 72.187 71.515 0.672 19415 8974 1 19 . 1 1 114 114 THR H H 114 6.895 6.895 7.746 -0.851 19415 8975 1 19 . 1 1 115 115 CYS N N 115 121.388 121.388 121.434 -0.046 19415 8976 1 19 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.786 -0.996 19415 8977 1 19 . 1 1 115 115 CYS C C 115 177.309 177.309 176.217 1.092 19415 8978 1 19 . 1 1 115 115 CYS CA C 115 59.284 59.284 58.373 0.910 19415 8979 1 19 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.542 3.079 19415 8980 1 19 . 1 1 115 115 CYS H H 115 7.981 7.981 8.468 -0.487 19415 8981 1 19 . 1 1 116 116 SER N N 116 127.333 127.333 124.324 3.009 19415 8982 1 19 . 1 1 116 116 SER HA H 116 4.066 4.066 4.540 -0.474 19415 8983 1 19 . 1 1 116 116 SER C C 116 174.522 174.522 175.525 -1.003 19415 8984 1 19 . 1 1 116 116 SER CA C 116 61.507 61.507 60.135 1.372 19415 8985 1 19 . 1 1 116 116 SER CB C 116 63.619 63.619 62.667 0.952 19415 8986 1 19 . 1 1 116 116 SER H H 116 9.064 9.064 8.643 0.421 19415 8987 1 19 . 1 1 117 117 THR N N 117 121.020 121.020 116.838 4.182 19415 8988 1 19 . 1 1 117 117 THR HA H 117 4.384 4.384 4.442 -0.058 19415 8989 1 19 . 1 1 117 117 THR C C 117 174.713 174.713 175.586 -0.873 19415 8990 1 19 . 1 1 117 117 THR CA C 117 65.378 65.378 64.485 0.893 19415 8991 1 19 . 1 1 117 117 THR CB C 117 69.656 69.656 69.831 -0.175 19415 8992 1 19 . 1 1 117 117 THR H H 117 8.939 8.939 8.204 0.735 19415 8993 1 19 . 1 1 118 118 CYS N N 118 120.215 120.215 115.224 4.991 19415 8994 1 19 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.901 -0.553 19415 8995 1 19 . 1 1 118 118 CYS C C 118 176.041 176.041 174.438 1.603 19415 8996 1 19 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.302 2.185 19415 8997 1 19 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.355 0.469 19415 8998 1 19 . 1 1 118 118 CYS H H 118 8.180 8.180 7.853 0.327 19415 8999 1 19 . 1 1 119 119 ARG N N 119 114.664 114.664 119.952 -5.288 19415 9000 1 19 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.168 -0.057 19415 9001 1 19 . 1 1 119 119 ARG C C 119 174.910 174.910 175.127 -0.217 19415 9002 1 19 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.543 1.030 19415 9003 1 19 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.666 -1.308 19415 9004 1 19 . 1 1 119 119 ARG H H 119 7.545 7.545 8.166 -0.621 19415 9005 1 19 . 1 1 120 120 ASN N N 120 118.962 118.962 118.904 0.058 19415 9006 1 19 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.476 0.276 19415 9007 1 19 . 1 1 120 120 ASN C C 120 175.950 175.950 175.511 0.439 19415 9008 1 19 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.691 -0.187 19415 9009 1 19 . 1 1 120 120 ASN CB C 120 39.298 39.298 38.783 0.515 19415 9010 1 19 . 1 1 120 120 ASN H H 120 8.232 8.232 7.834 0.398 19415 9011 1 19 . 1 1 121 121 ARG N N 121 122.104 122.104 125.381 -3.277 19415 9012 1 19 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.205 -0.220 19415 9013 1 19 . 1 1 121 121 ARG C C 121 175.638 175.638 176.038 -0.400 19415 9014 1 19 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.059 1.125 19415 9015 1 19 . 1 1 121 121 ARG CB C 121 30.567 30.567 29.596 0.971 19415 9016 1 19 . 1 1 121 121 ARG H H 121 8.603 8.603 8.512 0.091 19415 9017 1 19 . 1 1 122 122 LEU N N 122 127.225 127.225 127.450 -0.225 19415 9018 1 19 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.238 0.291 19415 9019 1 19 . 1 1 122 122 LEU C C 122 175.345 175.345 175.560 -0.215 19415 9020 1 19 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.729 -1.902 19415 9021 1 19 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.425 -0.853 19415 9022 1 19 . 1 1 122 122 LEU H H 122 8.094 8.094 7.622 0.472 19415 9023 1 19 . 1 1 123 123 VAL N N 123 121.030 121.030 122.532 -1.502 19415 9024 1 19 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.434 0.041 19415 9025 1 19 . 1 1 123 123 VAL C C 123 173.190 173.190 173.833 -0.643 19415 9026 1 19 . 1 1 123 123 VAL CA C 123 59.031 59.031 59.193 -0.162 19415 9027 1 19 . 1 1 123 123 VAL CB C 123 31.454 31.454 34.702 -3.248 19415 9028 1 19 . 1 1 123 123 VAL H H 123 8.416 8.416 8.278 0.138 19415 9029 1 19 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.195 -0.555 19415 9030 1 19 . 1 1 124 124 PRO C C 124 177.425 177.425 177.307 0.118 19415 9031 1 19 . 1 1 124 124 PRO CA C 124 64.032 64.032 62.990 1.042 19415 9032 1 19 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.047 1.188 19415 9033 1 19 . 1 1 125 125 GLY N N 125 113.120 113.120 113.930 -0.810 19415 9034 1 19 . 1 1 125 125 GLY C C 125 174.384 174.384 174.025 0.359 19415 9035 1 19 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.979 0.124 19415 9036 1 19 . 1 1 125 125 GLY H H 125 8.574 8.574 8.509 0.065 19415 9037 1 19 . 1 1 126 126 ASP N N 126 122.488 122.488 120.905 1.583 19415 9038 1 19 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.936 -0.213 19415 9039 1 19 . 1 1 126 126 ASP C C 126 176.558 176.558 175.215 1.343 19415 9040 1 19 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.329 1.995 19415 9041 1 19 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.801 -2.200 19415 9042 1 19 . 1 1 126 126 ASP H H 126 8.476 8.476 8.285 0.191 19415 9043 1 19 . 1 1 127 127 ARG N N 127 122.074 122.074 119.844 2.230 19415 9044 1 19 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.353 -0.306 19415 9045 1 19 . 1 1 127 127 ARG C C 127 175.671 175.671 176.363 -0.692 19415 9046 1 19 . 1 1 127 127 ARG CA C 127 55.559 55.559 57.172 -1.613 19415 9047 1 19 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.404 -0.541 19415 9048 1 19 . 1 1 127 127 ARG H H 127 8.697 8.697 8.631 0.066 19415 9049 1 19 . 1 1 128 128 PHE N N 128 120.179 120.179 123.916 -3.737 19415 9050 1 19 . 1 1 128 128 PHE HA H 128 5.194 5.194 5.018 0.176 19415 9051 1 19 . 1 1 128 128 PHE C C 128 171.304 171.304 172.738 -1.434 19415 9052 1 19 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.379 -0.952 19415 9053 1 19 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.584 0.929 19415 9054 1 19 . 1 1 128 128 PHE H H 128 8.869 8.869 9.196 -0.327 19415 9055 1 19 . 1 1 129 129 HIS N N 129 118.586 118.586 118.710 -0.124 19415 9056 1 19 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.543 0.138 19415 9057 1 19 . 1 1 129 129 HIS C C 129 173.764 173.764 172.747 1.017 19415 9058 1 19 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.429 0.381 19415 9059 1 19 . 1 1 129 129 HIS CB C 129 34.983 34.983 34.405 0.578 19415 9060 1 19 . 1 1 129 129 HIS H H 129 9.292 9.292 8.961 0.331 19415 9061 1 19 . 1 1 130 130 TYR N N 130 125.995 125.995 126.919 -0.924 19415 9062 1 19 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.453 0.266 19415 9063 1 19 . 1 1 130 130 TYR C C 130 174.625 174.625 174.178 0.447 19415 9064 1 19 . 1 1 130 130 TYR CA C 130 56.182 56.182 55.934 0.248 19415 9065 1 19 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.289 0.990 19415 9066 1 19 . 1 1 130 130 TYR H H 130 8.865 8.865 8.747 0.118 19415 9067 1 19 . 1 1 131 131 ILE N N 131 126.610 126.610 127.068 -0.458 19415 9068 1 19 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.481 -0.158 19415 9069 1 19 . 1 1 131 131 ILE C C 131 175.516 175.516 175.508 0.008 19415 9070 1 19 . 1 1 131 131 ILE CA C 131 59.727 59.727 59.411 0.316 19415 9071 1 19 . 1 1 131 131 ILE CB C 131 41.170 41.170 38.384 2.786 19415 9072 1 19 . 1 1 131 131 ILE H H 131 8.889 8.889 8.185 0.704 19415 9073 1 19 . 1 1 132 132 ASN N N 132 126.614 126.614 127.060 -0.446 19415 9074 1 19 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.344 0.017 19415 9075 1 19 . 1 1 132 132 ASN C C 132 175.421 175.421 175.116 0.305 19415 9076 1 19 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.463 0.470 19415 9077 1 19 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.942 -0.602 19415 9078 1 19 . 1 1 132 132 ASN H H 132 9.375 9.375 9.143 0.232 19415 9079 1 19 . 1 1 133 133 GLY N N 133 102.667 102.667 102.592 0.075 19415 9080 1 19 . 1 1 133 133 GLY C C 133 173.969 173.969 173.193 0.776 19415 9081 1 19 . 1 1 133 133 GLY CA C 133 45.395 45.395 44.949 0.446 19415 9082 1 19 . 1 1 133 133 GLY H H 133 7.417 7.417 7.911 -0.494 19415 9083 1 19 . 1 1 134 134 SER N N 134 117.123 117.123 114.619 2.504 19415 9084 1 19 . 1 1 134 134 SER HA H 134 4.743 4.743 4.527 0.216 19415 9085 1 19 . 1 1 134 134 SER C C 134 170.825 170.825 172.933 -2.108 19415 9086 1 19 . 1 1 134 134 SER CA C 134 57.754 57.754 57.266 0.488 19415 9087 1 19 . 1 1 134 134 SER CB C 134 66.060 66.060 66.129 -0.069 19415 9088 1 19 . 1 1 134 134 SER H H 134 7.639 7.639 6.745 0.894 19415 9089 1 19 . 1 1 135 135 LEU N N 135 122.242 122.242 124.418 -2.176 19415 9090 1 19 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.972 0.242 19415 9091 1 19 . 1 1 135 135 LEU C C 135 177.735 177.735 175.293 2.442 19415 9092 1 19 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.337 -0.908 19415 9093 1 19 . 1 1 135 135 LEU CB C 135 44.685 44.685 41.998 2.687 19415 9094 1 19 . 1 1 135 135 LEU H H 135 8.236 8.236 8.641 -0.405 19415 9095 1 19 . 1 1 136 136 PHE N N 136 118.689 118.689 120.840 -2.151 19415 9096 1 19 . 1 1 136 136 PHE HA H 136 5.990 5.990 4.996 0.994 19415 9097 1 19 . 1 1 136 136 PHE C C 136 175.971 175.971 175.552 0.419 19415 9098 1 19 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.503 0.401 19415 9099 1 19 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.507 0.822 19415 9100 1 19 . 1 1 136 136 PHE H H 136 9.221 9.221 9.102 0.119 19415 9101 1 19 . 1 1 137 137 CYS N N 137 121.328 121.328 118.348 2.980 19415 9102 1 19 . 1 1 137 137 CYS HA H 137 4.966 4.966 4.990 -0.024 19415 9103 1 19 . 1 1 137 137 CYS C C 137 175.030 175.030 175.451 -0.421 19415 9104 1 19 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.439 1.114 19415 9105 1 19 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.051 -0.826 19415 9106 1 19 . 1 1 137 137 CYS H H 137 9.716 9.716 8.874 0.842 19415 9107 1 19 . 1 1 138 138 GLU N N 138 118.055 118.055 119.357 -1.302 19415 9108 1 19 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.160 -0.017 19415 9109 1 19 . 1 1 138 138 GLU C C 138 178.535 178.535 177.988 0.547 19415 9110 1 19 . 1 1 138 138 GLU CA C 138 59.569 59.569 58.901 0.668 19415 9111 1 19 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.750 0.145 19415 9112 1 19 . 1 1 138 138 GLU H H 138 8.476 8.476 9.021 -0.545 19415 9113 1 19 . 1 1 139 139 HIS N N 139 117.190 117.190 116.815 0.375 19415 9114 1 19 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.579 -0.149 19415 9115 1 19 . 1 1 139 139 HIS C C 139 175.584 175.584 175.262 0.322 19415 9116 1 19 . 1 1 139 139 HIS CA C 139 58.130 58.130 57.836 0.294 19415 9117 1 19 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.061 -1.115 19415 9118 1 19 . 1 1 139 139 HIS H H 139 8.365 8.365 8.142 0.223 19415 9119 1 19 . 1 1 140 140 ASP N N 140 118.373 118.373 117.785 0.588 19415 9120 1 19 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.809 0.147 19415 9121 1 19 . 1 1 140 140 ASP C C 140 174.258 174.258 174.347 -0.089 19415 9122 1 19 . 1 1 140 140 ASP CA C 140 54.319 54.319 53.690 0.629 19415 9123 1 19 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.866 0.451 19415 9124 1 19 . 1 1 140 140 ASP H H 140 8.082 8.082 7.732 0.350 19415 9125 1 19 . 1 1 141 141 ARG N N 141 121.880 121.880 120.455 1.425 19415 9126 1 19 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.878 -0.262 19415 9127 1 19 . 1 1 141 141 ARG C C 141 173.939 173.939 174.251 -0.312 19415 9128 1 19 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.151 -0.429 19415 9129 1 19 . 1 1 141 141 ARG CB C 141 29.423 29.423 28.853 0.570 19415 9130 1 19 . 1 1 141 141 ARG H H 141 7.120 7.120 7.123 -0.003 19415 9131 1 19 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.268 -0.018 19415 9132 1 19 . 1 1 142 142 PRO C C 142 176.688 176.688 176.068 0.620 19415 9133 1 19 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.697 0.002 19415 9134 1 19 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.688 -0.439 19415 9135 1 19 . 1 1 143 143 THR N N 143 115.472 115.472 117.757 -2.285 19415 9136 1 19 . 1 1 143 143 THR HA H 143 3.924 3.924 4.168 -0.244 19415 9137 1 19 . 1 1 143 143 THR C C 143 174.890 174.890 176.100 -1.210 19415 9138 1 19 . 1 1 143 143 THR CA C 143 63.099 63.099 64.181 -1.082 19415 9139 1 19 . 1 1 143 143 THR CB C 143 69.197 69.197 68.984 0.213 19415 9140 1 19 . 1 1 143 143 THR H H 143 8.015 8.015 8.340 -0.325 19415 9141 1 19 . 1 1 144 144 ALA N N 144 124.502 124.502 122.838 1.664 19415 9142 1 19 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.545 -0.345 19415 9143 1 19 . 1 1 144 144 ALA C C 144 177.656 177.656 177.240 0.416 19415 9144 1 19 . 1 1 144 144 ALA CA C 144 52.807 52.807 52.477 0.330 19415 9145 1 19 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.488 0.517 19415 9146 1 19 . 1 1 144 144 ALA H H 144 8.130 8.130 7.939 0.191 19415 9147 1 19 . 1 1 145 145 LEU N N 145 119.506 119.506 118.945 0.561 19415 9148 1 19 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.538 -0.262 19415 9149 1 19 . 1 1 145 145 LEU C C 145 177.574 177.574 175.292 2.282 19415 9150 1 19 . 1 1 145 145 LEU CA C 145 55.067 55.067 55.386 -0.319 19415 9151 1 19 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.856 -0.625 19415 9152 1 19 . 1 1 145 145 LEU H H 145 7.897 7.897 7.794 0.103 19415 9153 1 19 . 1 1 146 146 ILE N N 146 120.683 120.683 119.099 1.584 19415 9154 1 19 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.057 -0.002 19415 9155 1 19 . 1 1 146 146 ILE C C 146 176.259 176.259 174.921 1.338 19415 9156 1 19 . 1 1 146 146 ILE CA C 146 61.486 61.486 61.465 0.021 19415 9157 1 19 . 1 1 146 146 ILE CB C 146 38.629 38.629 39.692 -1.063 19415 9158 1 19 . 1 1 146 146 ILE H H 146 7.842 7.842 8.040 -0.198 19415 9159 1 19 . 1 1 405 405 ALA N N 405 133.214 133.214 129.204 4.010 19415 9160 1 19 . 1 1 405 405 ALA HA H 405 4.471 4.471 3.624 0.847 19415 9161 1 19 . 1 1 405 405 ALA CA C 405 50.818 50.818 50.797 0.021 19415 9162 1 19 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.537 -1.490 19415 9163 1 19 . 1 1 405 405 ALA H H 405 9.651 9.651 8.602 1.049 19415 9164 1 19 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.364 0.223 19415 9165 1 19 . 1 1 406 406 PRO C C 406 174.175 174.175 176.029 -1.854 19415 9166 1 19 . 1 1 406 406 PRO CA C 406 61.942 61.942 62.946 -1.004 19415 9167 1 19 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.246 0.743 19415 9168 1 19 . 1 1 407 407 PHE N N 407 113.077 113.077 119.039 -5.962 19415 9169 1 19 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.538 -0.034 19415 9170 1 19 . 1 1 407 407 PHE C C 407 174.954 174.954 174.646 0.308 19415 9171 1 19 . 1 1 407 407 PHE CA C 407 57.263 57.263 55.928 1.335 19415 9172 1 19 . 1 1 407 407 PHE CB C 407 38.318 38.318 39.370 -1.052 19415 9173 1 19 . 1 1 407 407 PHE H H 407 7.899 7.899 8.571 -0.672 19415 9174 1 19 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.559 0.194 19415 9175 1 19 . 1 1 408 408 PRO C C 408 175.865 175.865 175.707 0.158 19415 9176 1 19 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.583 0.343 19415 9177 1 19 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.549 1.908 19415 9178 1 19 . 1 1 409 409 GLU N N 409 119.349 119.349 124.936 -5.587 19415 9179 1 19 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.578 0.145 19415 9180 1 19 . 1 1 409 409 GLU C C 409 174.291 174.291 175.532 -1.241 19415 9181 1 19 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.664 -0.484 19415 9182 1 19 . 1 1 409 409 GLU CB C 409 34.429 34.429 33.986 0.443 19415 9183 1 19 . 1 1 409 409 GLU H H 409 8.813 8.813 8.534 0.279 19415 9184 1 19 . 1 1 410 410 ALA N N 410 124.017 124.017 124.132 -0.115 19415 9185 1 19 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.627 -0.296 19415 9186 1 19 . 1 1 410 410 ALA C C 410 178.181 178.181 177.049 1.132 19415 9187 1 19 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.935 -0.694 19415 9188 1 19 . 1 1 410 410 ALA CB C 410 19.102 19.102 18.501 0.601 19415 9189 1 19 . 1 1 410 410 ALA H H 410 8.562 8.562 8.668 -0.106 19415 9190 1 19 . 1 1 411 411 ALA N N 411 124.837 124.837 128.388 -3.551 19415 9191 1 19 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.228 -0.299 19415 9192 1 19 . 1 1 411 411 ALA C C 411 178.042 178.042 176.424 1.618 19415 9193 1 19 . 1 1 411 411 ALA CA C 411 54.247 54.247 53.173 1.074 19415 9194 1 19 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.288 -0.558 19415 9195 1 19 . 1 1 411 411 ALA H H 411 8.475 8.475 8.790 -0.315 19415 9196 1 19 . 1 1 412 412 LEU N N 412 119.893 119.893 116.720 3.173 19415 9197 1 19 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.895 -0.187 19415 9198 1 19 . 1 1 412 412 LEU C C 412 174.281 174.281 174.021 0.260 19415 9199 1 19 . 1 1 412 412 LEU CA C 412 52.130 52.130 51.003 1.127 19415 9200 1 19 . 1 1 412 412 LEU CB C 412 42.645 42.645 44.241 -1.596 19415 9201 1 19 . 1 1 412 412 LEU H H 412 8.075 8.075 7.599 0.476 19415 9202 1 19 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.707 -0.254 19415 9203 1 19 . 1 1 413 413 PRO C C 413 177.094 177.094 176.687 0.407 19415 9204 1 19 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.230 0.771 19415 9205 1 19 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.380 -0.201 19415 9206 1 19 . 1 1 414 414 THR N N 414 114.256 114.256 117.794 -3.538 19415 9207 1 19 . 1 1 414 414 THR HA H 414 4.294 4.294 4.451 -0.157 19415 9208 1 19 . 1 1 414 414 THR C C 414 174.480 174.480 174.621 -0.141 19415 9209 1 19 . 1 1 414 414 THR CA C 414 61.757 61.757 60.858 0.899 19415 9210 1 19 . 1 1 414 414 THR CB C 414 69.712 69.712 70.038 -0.326 19415 9211 1 19 . 1 1 414 414 THR H H 414 8.177 8.177 8.549 -0.372 19415 9212 1 19 . 1 1 415 415 SER N N 415 117.918 117.918 115.543 2.375 19415 9213 1 19 . 1 1 415 415 SER HA H 415 4.424 4.424 4.656 -0.232 19415 9214 1 19 . 1 1 415 415 SER C C 415 173.689 173.689 173.545 0.144 19415 9215 1 19 . 1 1 415 415 SER CA C 415 58.072 58.072 58.258 -0.186 19415 9216 1 19 . 1 1 415 415 SER CB C 415 63.852 63.852 63.884 -0.032 19415 9217 1 19 . 1 1 415 415 SER H H 415 8.193 8.193 8.444 -0.251 19415 9218 1 19 . 1 1 416 416 HIS N N 416 121.537 121.537 120.357 1.180 19415 9219 1 19 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.871 0.071 19415 9220 1 19 . 1 1 416 416 HIS C C 416 172.547 172.547 174.002 -1.455 19415 9221 1 19 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.401 -0.699 19415 9222 1 19 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.942 -1.480 19415 9223 1 19 . 1 1 416 416 HIS H H 416 8.373 8.373 8.631 -0.258 19415 9224 1 19 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.610 -0.189 19415 9225 1 19 . 1 1 417 417 PRO C C 417 176.060 176.060 176.567 -0.507 19415 9226 1 19 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.358 1.090 19415 9227 1 19 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.675 -0.516 19415 9228 1 19 . 1 1 902 902 GLY N N 902 108.524 108.524 107.397 1.127 19415 9229 1 19 . 1 1 902 902 GLY CA C 902 45.359 45.359 45.118 0.241 19415 9230 1 19 . 1 1 902 902 GLY H H 902 8.196 8.196 7.986 0.210 19415 9231 1 19 . 1 1 903 903 SER N N 903 115.821 115.821 117.985 -2.164 19415 9232 1 19 . 1 1 903 903 SER HA H 903 4.403 4.403 4.489 -0.086 19415 9233 1 19 . 1 1 903 903 SER CA C 903 58.602 58.602 59.249 -0.647 19415 9234 1 19 . 1 1 903 903 SER CB C 903 63.762 63.762 62.143 1.619 19415 9235 1 19 . 1 1 903 903 SER H H 903 8.354 8.354 8.671 -0.317 19415 9236 1 19 . 1 1 904 904 GLY N N 904 110.847 110.847 115.784 -4.937 19415 9237 1 19 . 1 1 904 904 GLY C C 904 174.889 174.889 174.119 0.770 19415 9238 1 19 . 1 1 904 904 GLY CA C 904 45.594 45.594 45.500 0.094 19415 9239 1 19 . 1 1 904 904 GLY H H 904 8.558 8.558 8.354 0.204 19415 9240 1 19 . 1 1 905 905 GLY N N 905 108.922 108.922 107.978 0.944 19415 9241 1 19 . 1 1 905 905 GLY C C 905 174.452 174.452 172.772 1.680 19415 9242 1 19 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.709 0.840 19415 9243 1 19 . 1 1 905 905 GLY H H 905 8.307 8.307 7.616 0.691 19415 9244 1 19 . 1 1 906 906 SER N N 906 115.224 115.224 117.665 -2.441 19415 9245 1 19 . 1 1 906 906 SER HA H 906 4.552 4.552 4.502 0.050 19415 9246 1 19 . 1 1 906 906 SER C C 906 175.108 175.108 173.865 1.243 19415 9247 1 19 . 1 1 906 906 SER CA C 906 58.647 58.647 58.652 -0.005 19415 9248 1 19 . 1 1 906 906 SER CB C 906 64.091 64.091 62.520 1.571 19415 9249 1 19 . 1 1 906 906 SER H H 906 8.362 8.362 8.642 -0.280 19415 9250 1 19 . 1 1 907 907 GLY N N 907 110.875 110.875 112.190 -1.315 19415 9251 1 19 . 1 1 907 907 GLY C C 907 173.335 173.335 174.047 -0.712 19415 9252 1 19 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.377 0.633 19415 9253 1 19 . 1 1 907 907 GLY H H 907 8.437 8.437 7.805 0.632 19415 9254 1 20 . 1 1 78 78 ILE N N 78 124.415 124.415 124.690 -0.275 19415 9255 1 20 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.287 -0.245 19415 9256 1 20 . 1 1 78 78 ILE C C 78 175.260 175.260 175.414 -0.154 19415 9257 1 20 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.634 -0.907 19415 9258 1 20 . 1 1 78 78 ILE CB C 78 38.922 38.922 38.054 0.868 19415 9259 1 20 . 1 1 78 78 ILE H H 78 8.025 8.025 8.178 -0.153 19415 9260 1 20 . 1 1 79 79 ARG N N 79 125.999 125.999 125.753 0.246 19415 9261 1 20 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.344 -0.129 19415 9262 1 20 . 1 1 79 79 ARG C C 79 175.494 175.494 174.456 1.038 19415 9263 1 20 . 1 1 79 79 ARG CA C 79 55.856 55.856 55.490 0.366 19415 9264 1 20 . 1 1 79 79 ARG CB C 79 30.774 30.774 32.405 -1.631 19415 9265 1 20 . 1 1 79 79 ARG H H 79 8.249 8.249 8.450 -0.201 19415 9266 1 20 . 1 1 80 80 LEU N N 80 124.427 124.427 119.761 4.666 19415 9267 1 20 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.726 -0.434 19415 9268 1 20 . 1 1 80 80 LEU C C 80 176.785 176.785 175.944 0.841 19415 9269 1 20 . 1 1 80 80 LEU CA C 80 54.820 54.820 54.305 0.515 19415 9270 1 20 . 1 1 80 80 LEU CB C 80 42.520 42.520 42.407 0.112 19415 9271 1 20 . 1 1 80 80 LEU H H 80 8.190 8.190 7.681 0.509 19415 9272 1 20 . 1 1 81 81 PHE N N 81 120.462 120.462 125.398 -4.936 19415 9273 1 20 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.590 0.034 19415 9274 1 20 . 1 1 81 81 PHE C C 81 176.212 176.212 176.119 0.093 19415 9275 1 20 . 1 1 81 81 PHE CA C 81 57.570 57.570 59.324 -1.754 19415 9276 1 20 . 1 1 81 81 PHE CB C 81 39.802 39.802 38.105 1.697 19415 9277 1 20 . 1 1 81 81 PHE H H 81 8.244 8.244 9.350 -1.106 19415 9278 1 20 . 1 1 82 82 GLY N N 82 110.003 110.003 113.242 -3.239 19415 9279 1 20 . 1 1 82 82 GLY C C 82 173.730 173.730 174.064 -0.334 19415 9280 1 20 . 1 1 82 82 GLY CA C 82 45.415 45.415 45.181 0.234 19415 9281 1 20 . 1 1 82 82 GLY H H 82 8.351 8.351 8.208 0.143 19415 9282 1 20 . 1 1 83 83 ASN N N 83 118.840 118.840 116.541 2.299 19415 9283 1 20 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.468 0.326 19415 9284 1 20 . 1 1 83 83 ASN C C 83 175.312 175.312 175.720 -0.408 19415 9285 1 20 . 1 1 83 83 ASN CA C 83 52.996 52.996 53.876 -0.880 19415 9286 1 20 . 1 1 83 83 ASN CB C 83 39.137 39.137 37.646 1.491 19415 9287 1 20 . 1 1 83 83 ASN H H 83 8.325 8.325 7.900 0.425 19415 9288 1 20 . 1 1 84 84 SER N N 84 116.555 116.555 112.760 3.795 19415 9289 1 20 . 1 1 84 84 SER CA C 84 58.823 58.823 58.625 0.198 19415 9290 1 20 . 1 1 84 84 SER CB C 84 63.887 63.887 64.227 -0.340 19415 9291 1 20 . 1 1 84 84 SER H H 84 8.463 8.463 8.260 0.203 19415 9292 1 20 . 1 1 85 85 GLY N N 85 109.826 109.826 107.626 2.200 19415 9293 1 20 . 1 1 85 85 GLY C C 85 172.709 172.709 171.973 0.736 19415 9294 1 20 . 1 1 85 85 GLY CA C 85 45.153 45.153 44.982 0.171 19415 9295 1 20 . 1 1 85 85 GLY H H 85 8.341 8.341 7.515 0.826 19415 9296 1 20 . 1 1 86 86 ALA N N 86 122.100 122.100 120.214 1.886 19415 9297 1 20 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.508 -0.061 19415 9298 1 20 . 1 1 86 86 ALA C C 86 175.383 175.383 175.393 -0.010 19415 9299 1 20 . 1 1 86 86 ALA CA C 86 50.523 50.523 51.278 -0.755 19415 9300 1 20 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.547 -0.834 19415 9301 1 20 . 1 1 86 86 ALA H H 86 7.703 7.703 7.894 -0.191 19415 9302 1 20 . 1 1 87 87 CYS N N 87 121.922 121.922 118.645 3.277 19415 9303 1 20 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.794 -0.597 19415 9304 1 20 . 1 1 87 87 CYS C C 87 178.454 178.454 176.491 1.963 19415 9305 1 20 . 1 1 87 87 CYS CA C 87 58.515 58.515 58.168 0.347 19415 9306 1 20 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.436 3.164 19415 9307 1 20 . 1 1 87 87 CYS H H 87 7.968 7.968 8.205 -0.237 19415 9308 1 20 . 1 1 88 88 SER N N 88 126.804 126.804 121.534 5.270 19415 9309 1 20 . 1 1 88 88 SER HA H 88 4.174 4.174 4.504 -0.330 19415 9310 1 20 . 1 1 88 88 SER C C 88 173.647 173.647 174.576 -0.929 19415 9311 1 20 . 1 1 88 88 SER CA C 88 62.158 62.158 59.638 2.520 19415 9312 1 20 . 1 1 88 88 SER CB C 88 63.401 63.401 62.438 0.963 19415 9313 1 20 . 1 1 88 88 SER H H 88 9.202 9.202 8.270 0.932 19415 9314 1 20 . 1 1 89 89 ALA N N 89 123.763 123.763 123.135 0.628 19415 9315 1 20 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.781 0.055 19415 9316 1 20 . 1 1 89 89 ALA C C 89 178.007 178.007 178.677 -0.670 19415 9317 1 20 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.718 0.215 19415 9318 1 20 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.808 1.437 19415 9319 1 20 . 1 1 89 89 ALA H H 89 8.964 8.964 7.797 1.167 19415 9320 1 20 . 1 1 90 90 CYS N N 90 115.099 115.099 117.523 -2.424 19415 9321 1 20 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.439 0.593 19415 9322 1 20 . 1 1 90 90 CYS C C 90 177.164 177.164 176.614 0.550 19415 9323 1 20 . 1 1 90 90 CYS CA C 90 58.754 58.754 61.221 -2.467 19415 9324 1 20 . 1 1 90 90 CYS CB C 90 31.688 31.688 27.556 4.132 19415 9325 1 20 . 1 1 90 90 CYS H H 90 8.078 8.078 8.026 0.052 19415 9326 1 20 . 1 1 91 91 GLY N N 91 112.869 112.869 105.521 7.348 19415 9327 1 20 . 1 1 91 91 GLY C C 91 173.725 173.725 173.871 -0.146 19415 9328 1 20 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.309 0.994 19415 9329 1 20 . 1 1 91 91 GLY H H 91 7.996 7.996 8.316 -0.320 19415 9330 1 20 . 1 1 92 92 GLN N N 92 119.848 119.848 121.057 -1.209 19415 9331 1 20 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.579 -0.004 19415 9332 1 20 . 1 1 92 92 GLN C C 92 176.015 176.015 176.204 -0.189 19415 9333 1 20 . 1 1 92 92 GLN CA C 92 54.954 54.954 55.260 -0.306 19415 9334 1 20 . 1 1 92 92 GLN CB C 92 30.026 30.026 29.943 0.083 19415 9335 1 20 . 1 1 92 92 GLN H H 92 8.341 8.341 8.155 0.186 19415 9336 1 20 . 1 1 93 93 SER N N 93 116.734 116.734 119.930 -3.196 19415 9337 1 20 . 1 1 93 93 SER C C 93 173.776 173.776 174.935 -1.159 19415 9338 1 20 . 1 1 93 93 SER CA C 93 59.491 59.491 59.256 0.235 19415 9339 1 20 . 1 1 93 93 SER CB C 93 63.707 63.707 63.756 -0.049 19415 9340 1 20 . 1 1 93 93 SER H H 93 8.656 8.656 8.884 -0.228 19415 9341 1 20 . 1 1 94 94 ILE N N 94 126.045 126.045 124.261 1.784 19415 9342 1 20 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.585 -0.243 19415 9343 1 20 . 1 1 94 94 ILE CA C 94 58.525 58.525 58.986 -0.461 19415 9344 1 20 . 1 1 94 94 ILE CB C 94 39.907 39.907 38.885 1.022 19415 9345 1 20 . 1 1 94 94 ILE H H 94 8.281 8.281 8.278 0.003 19415 9346 1 20 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.644 -0.171 19415 9347 1 20 . 1 1 95 95 PRO C C 95 176.605 176.605 177.668 -1.063 19415 9348 1 20 . 1 1 95 95 PRO CA C 95 62.852 62.852 61.959 0.893 19415 9349 1 20 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.428 0.363 19415 9350 1 20 . 1 1 96 96 ALA N N 96 122.591 122.591 122.057 0.534 19415 9351 1 20 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.237 -0.237 19415 9352 1 20 . 1 1 96 96 ALA C C 96 177.763 177.763 177.444 0.319 19415 9353 1 20 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.472 1.133 19415 9354 1 20 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.150 0.956 19415 9355 1 20 . 1 1 96 96 ALA H H 96 8.400 8.400 8.545 -0.145 19415 9356 1 20 . 1 1 97 97 SER N N 97 107.288 107.288 112.996 -5.708 19415 9357 1 20 . 1 1 97 97 SER HA H 97 4.270 4.270 4.401 -0.131 19415 9358 1 20 . 1 1 97 97 SER C C 97 174.625 174.625 175.222 -0.597 19415 9359 1 20 . 1 1 97 97 SER CA C 97 58.532 58.532 58.423 0.109 19415 9360 1 20 . 1 1 97 97 SER CB C 97 63.538 63.538 63.550 -0.012 19415 9361 1 20 . 1 1 97 97 SER H H 97 7.796 7.796 7.972 -0.176 19415 9362 1 20 . 1 1 98 98 GLU N N 98 124.231 124.231 122.764 1.467 19415 9363 1 20 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.445 -0.188 19415 9364 1 20 . 1 1 98 98 GLU C C 98 175.476 175.476 174.858 0.618 19415 9365 1 20 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.682 0.839 19415 9366 1 20 . 1 1 98 98 GLU CB C 98 31.081 31.081 30.915 0.166 19415 9367 1 20 . 1 1 98 98 GLU H H 98 7.649 7.649 7.639 0.010 19415 9368 1 20 . 1 1 99 99 LEU N N 99 122.696 122.696 127.065 -4.369 19415 9369 1 20 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.391 0.114 19415 9370 1 20 . 1 1 99 99 LEU C C 99 176.253 176.253 176.203 0.050 19415 9371 1 20 . 1 1 99 99 LEU CA C 99 54.635 54.635 55.069 -0.434 19415 9372 1 20 . 1 1 99 99 LEU CB C 99 42.967 42.967 42.486 0.481 19415 9373 1 20 . 1 1 99 99 LEU H H 99 8.250 8.250 8.627 -0.377 19415 9374 1 20 . 1 1 100 100 VAL N N 100 112.933 112.933 119.011 -6.078 19415 9375 1 20 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.549 0.354 19415 9376 1 20 . 1 1 100 100 VAL C C 100 175.544 175.544 174.253 1.291 19415 9377 1 20 . 1 1 100 100 VAL CA C 100 58.747 58.747 58.831 -0.084 19415 9378 1 20 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.706 1.192 19415 9379 1 20 . 1 1 100 100 VAL H H 100 8.934 8.934 9.124 -0.190 19415 9380 1 20 . 1 1 101 101 MET N N 101 116.964 116.964 119.814 -2.850 19415 9381 1 20 . 1 1 101 101 MET HA H 101 4.676 4.676 4.581 0.095 19415 9382 1 20 . 1 1 101 101 MET C C 101 175.197 175.197 174.268 0.929 19415 9383 1 20 . 1 1 101 101 MET CA C 101 52.397 52.397 53.741 -1.344 19415 9384 1 20 . 1 1 101 101 MET CB C 101 34.490 34.490 33.192 1.298 19415 9385 1 20 . 1 1 101 101 MET H H 101 8.299 8.299 8.223 0.076 19415 9386 1 20 . 1 1 102 102 ARG N N 102 122.278 122.278 123.535 -1.257 19415 9387 1 20 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.649 0.505 19415 9388 1 20 . 1 1 102 102 ARG C C 102 175.008 175.008 174.754 0.254 19415 9389 1 20 . 1 1 102 102 ARG CA C 102 54.850 54.850 54.655 0.195 19415 9390 1 20 . 1 1 102 102 ARG CB C 102 32.335 32.335 30.878 1.456 19415 9391 1 20 . 1 1 102 102 ARG H H 102 8.112 8.112 8.615 -0.503 19415 9392 1 20 . 1 1 103 103 ALA N N 103 123.373 123.373 128.445 -5.072 19415 9393 1 20 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.569 0.030 19415 9394 1 20 . 1 1 103 103 ALA C C 103 176.137 176.137 177.011 -0.874 19415 9395 1 20 . 1 1 103 103 ALA CA C 103 52.049 52.049 50.626 1.423 19415 9396 1 20 . 1 1 103 103 ALA CB C 103 21.835 21.835 19.982 1.853 19415 9397 1 20 . 1 1 103 103 ALA H H 103 8.129 8.129 8.069 0.060 19415 9398 1 20 . 1 1 104 104 GLN N N 104 120.352 120.352 118.588 1.764 19415 9399 1 20 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.360 -0.558 19415 9400 1 20 . 1 1 104 104 GLN C C 104 175.032 175.032 175.835 -0.803 19415 9401 1 20 . 1 1 104 104 GLN CA C 104 56.385 56.385 55.666 0.719 19415 9402 1 20 . 1 1 104 104 GLN CB C 104 25.801 25.801 27.090 -1.289 19415 9403 1 20 . 1 1 104 104 GLN H H 104 9.312 9.312 8.571 0.741 19415 9404 1 20 . 1 1 105 105 GLY N N 105 105.580 105.580 109.901 -4.321 19415 9405 1 20 . 1 1 105 105 GLY C C 105 173.414 173.414 173.448 -0.034 19415 9406 1 20 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.226 0.249 19415 9407 1 20 . 1 1 105 105 GLY H H 105 8.493 8.493 8.326 0.167 19415 9408 1 20 . 1 1 106 106 ASN N N 106 120.347 120.347 119.960 0.387 19415 9409 1 20 . 1 1 106 106 ASN HA H 106 4.820 4.820 5.283 -0.463 19415 9410 1 20 . 1 1 106 106 ASN C C 106 174.060 174.060 173.787 0.273 19415 9411 1 20 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.704 -0.927 19415 9412 1 20 . 1 1 106 106 ASN CB C 106 41.604 41.604 41.297 0.307 19415 9413 1 20 . 1 1 106 106 ASN H H 106 8.085 8.085 8.360 -0.275 19415 9414 1 20 . 1 1 107 107 VAL N N 107 118.992 118.992 117.968 1.024 19415 9415 1 20 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.468 0.306 19415 9416 1 20 . 1 1 107 107 VAL C C 107 173.066 173.066 173.441 -0.375 19415 9417 1 20 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.706 -0.130 19415 9418 1 20 . 1 1 107 107 VAL CB C 107 34.475 34.475 34.302 0.173 19415 9419 1 20 . 1 1 107 107 VAL H H 107 8.207 8.207 8.166 0.041 19415 9420 1 20 . 1 1 108 108 TYR N N 108 121.397 121.397 122.399 -1.002 19415 9421 1 20 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.816 1.114 19415 9422 1 20 . 1 1 108 108 TYR C C 108 177.709 177.709 175.708 2.001 19415 9423 1 20 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.063 -0.062 19415 9424 1 20 . 1 1 108 108 TYR CB C 108 42.938 42.938 41.806 1.132 19415 9425 1 20 . 1 1 108 108 TYR H H 108 8.681 8.681 9.048 -0.367 19415 9426 1 20 . 1 1 109 109 HIS N N 109 120.399 120.399 117.534 2.865 19415 9427 1 20 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.705 0.052 19415 9428 1 20 . 1 1 109 109 HIS C C 109 178.297 178.297 176.216 2.081 19415 9429 1 20 . 1 1 109 109 HIS CA C 109 59.269 59.269 55.972 3.297 19415 9430 1 20 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.255 0.184 19415 9431 1 20 . 1 1 109 109 HIS H H 109 8.681 8.681 8.281 0.400 19415 9432 1 20 . 1 1 110 110 LEU N N 110 124.629 124.629 116.770 7.859 19415 9433 1 20 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.314 -0.432 19415 9434 1 20 . 1 1 110 110 LEU C C 110 180.956 180.956 177.449 3.507 19415 9435 1 20 . 1 1 110 110 LEU CA C 110 60.072 60.072 57.617 2.455 19415 9436 1 20 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.013 -1.531 19415 9437 1 20 . 1 1 110 110 LEU H H 110 8.924 8.924 8.645 0.279 19415 9438 1 20 . 1 1 111 111 LYS N N 111 112.542 112.542 117.246 -4.704 19415 9439 1 20 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.189 -0.193 19415 9440 1 20 . 1 1 111 111 LYS C C 111 176.711 176.711 177.507 -0.796 19415 9441 1 20 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.661 -0.724 19415 9442 1 20 . 1 1 111 111 LYS CB C 111 31.709 31.709 32.191 -0.482 19415 9443 1 20 . 1 1 111 111 LYS H H 111 8.586 8.586 8.070 0.516 19415 9444 1 20 . 1 1 112 112 CYS N N 112 117.897 117.897 115.533 2.364 19415 9445 1 20 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.652 -0.260 19415 9446 1 20 . 1 1 112 112 CYS C C 112 173.923 173.923 175.622 -1.699 19415 9447 1 20 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.140 2.115 19415 9448 1 20 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.291 5.143 19415 9449 1 20 . 1 1 112 112 CYS H H 112 7.439 7.439 8.326 -0.887 19415 9450 1 20 . 1 1 113 113 PHE N N 113 126.150 126.150 124.879 1.271 19415 9451 1 20 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.261 -0.180 19415 9452 1 20 . 1 1 113 113 PHE C C 113 172.777 172.777 173.868 -1.091 19415 9453 1 20 . 1 1 113 113 PHE CA C 113 57.131 57.131 56.640 0.491 19415 9454 1 20 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.096 -0.287 19415 9455 1 20 . 1 1 113 113 PHE H H 113 7.467 7.467 8.198 -0.731 19415 9456 1 20 . 1 1 114 114 THR N N 114 112.302 112.302 113.744 -1.442 19415 9457 1 20 . 1 1 114 114 THR HA H 114 4.577 4.577 4.934 -0.357 19415 9458 1 20 . 1 1 114 114 THR C C 114 172.592 172.592 173.911 -1.319 19415 9459 1 20 . 1 1 114 114 THR CA C 114 57.922 57.922 59.894 -1.972 19415 9460 1 20 . 1 1 114 114 THR CB C 114 72.187 72.187 72.203 -0.016 19415 9461 1 20 . 1 1 114 114 THR H H 114 6.895 6.895 7.906 -1.011 19415 9462 1 20 . 1 1 115 115 CYS N N 115 121.388 121.388 121.353 0.035 19415 9463 1 20 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.104 -0.314 19415 9464 1 20 . 1 1 115 115 CYS C C 115 177.309 177.309 176.843 0.466 19415 9465 1 20 . 1 1 115 115 CYS CA C 115 59.284 59.284 60.209 -0.925 19415 9466 1 20 . 1 1 115 115 CYS CB C 115 31.621 31.621 27.131 4.490 19415 9467 1 20 . 1 1 115 115 CYS H H 115 7.981 7.981 8.468 -0.487 19415 9468 1 20 . 1 1 116 116 SER N N 116 127.333 127.333 120.326 7.007 19415 9469 1 20 . 1 1 116 116 SER HA H 116 4.066 4.066 4.447 -0.381 19415 9470 1 20 . 1 1 116 116 SER C C 116 174.522 174.522 175.256 -0.734 19415 9471 1 20 . 1 1 116 116 SER CA C 116 61.507 61.507 60.794 0.713 19415 9472 1 20 . 1 1 116 116 SER CB C 116 63.619 63.619 62.991 0.628 19415 9473 1 20 . 1 1 116 116 SER H H 116 9.064 9.064 8.880 0.184 19415 9474 1 20 . 1 1 117 117 THR N N 117 121.020 121.020 114.906 6.114 19415 9475 1 20 . 1 1 117 117 THR HA H 117 4.384 4.384 4.548 -0.164 19415 9476 1 20 . 1 1 117 117 THR C C 117 174.713 174.713 175.077 -0.364 19415 9477 1 20 . 1 1 117 117 THR CA C 117 65.378 65.378 63.403 1.975 19415 9478 1 20 . 1 1 117 117 THR CB C 117 69.656 69.656 69.503 0.153 19415 9479 1 20 . 1 1 117 117 THR H H 117 8.939 8.939 8.011 0.928 19415 9480 1 20 . 1 1 118 118 CYS N N 118 120.215 120.215 119.490 0.725 19415 9481 1 20 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.678 -0.330 19415 9482 1 20 . 1 1 118 118 CYS C C 118 176.041 176.041 174.759 1.282 19415 9483 1 20 . 1 1 118 118 CYS CA C 118 59.487 59.487 58.221 1.266 19415 9484 1 20 . 1 1 118 118 CYS CB C 118 29.824 29.824 28.816 1.008 19415 9485 1 20 . 1 1 118 118 CYS H H 118 8.180 8.180 7.960 0.220 19415 9486 1 20 . 1 1 119 119 ARG N N 119 114.664 114.664 118.859 -4.195 19415 9487 1 20 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.161 -0.050 19415 9488 1 20 . 1 1 119 119 ARG C C 119 174.910 174.910 175.093 -0.183 19415 9489 1 20 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.767 0.806 19415 9490 1 20 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.655 -1.297 19415 9491 1 20 . 1 1 119 119 ARG H H 119 7.545 7.545 8.349 -0.804 19415 9492 1 20 . 1 1 120 120 ASN N N 120 118.962 118.962 118.995 -0.033 19415 9493 1 20 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.569 0.183 19415 9494 1 20 . 1 1 120 120 ASN C C 120 175.950 175.950 175.254 0.696 19415 9495 1 20 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.386 0.118 19415 9496 1 20 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.192 0.106 19415 9497 1 20 . 1 1 120 120 ASN H H 120 8.232 8.232 7.728 0.504 19415 9498 1 20 . 1 1 121 121 ARG N N 121 122.104 122.104 126.246 -4.142 19415 9499 1 20 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.436 -0.451 19415 9500 1 20 . 1 1 121 121 ARG C C 121 175.638 175.638 175.694 -0.056 19415 9501 1 20 . 1 1 121 121 ARG CA C 121 57.184 57.184 55.971 1.213 19415 9502 1 20 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.251 0.316 19415 9503 1 20 . 1 1 121 121 ARG H H 121 8.603 8.603 8.523 0.080 19415 9504 1 20 . 1 1 122 122 LEU N N 122 127.225 127.225 127.690 -0.465 19415 9505 1 20 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.355 0.174 19415 9506 1 20 . 1 1 122 122 LEU C C 122 175.345 175.345 176.297 -0.952 19415 9507 1 20 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.236 -1.409 19415 9508 1 20 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.300 -0.728 19415 9509 1 20 . 1 1 122 122 LEU H H 122 8.094 8.094 8.464 -0.370 19415 9510 1 20 . 1 1 123 123 VAL N N 123 121.030 121.030 123.287 -2.257 19415 9511 1 20 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.590 -0.115 19415 9512 1 20 . 1 1 123 123 VAL C C 123 173.190 173.190 173.829 -0.639 19415 9513 1 20 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.985 0.046 19415 9514 1 20 . 1 1 123 123 VAL CB C 123 31.454 31.454 35.084 -3.630 19415 9515 1 20 . 1 1 123 123 VAL H H 123 8.416 8.416 8.200 0.216 19415 9516 1 20 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.095 -0.455 19415 9517 1 20 . 1 1 124 124 PRO C C 124 177.425 177.425 177.107 0.318 19415 9518 1 20 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.534 0.498 19415 9519 1 20 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.052 1.183 19415 9520 1 20 . 1 1 125 125 GLY N N 125 113.120 113.120 114.335 -1.215 19415 9521 1 20 . 1 1 125 125 GLY C C 125 174.384 174.384 174.055 0.329 19415 9522 1 20 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.970 0.133 19415 9523 1 20 . 1 1 125 125 GLY H H 125 8.574 8.574 8.445 0.129 19415 9524 1 20 . 1 1 126 126 ASP N N 126 122.488 122.488 121.417 1.071 19415 9525 1 20 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.992 -0.269 19415 9526 1 20 . 1 1 126 126 ASP C C 126 176.558 176.558 175.052 1.506 19415 9527 1 20 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.524 1.800 19415 9528 1 20 . 1 1 126 126 ASP CB C 126 41.602 41.602 42.730 -1.128 19415 9529 1 20 . 1 1 126 126 ASP H H 126 8.476 8.476 8.266 0.210 19415 9530 1 20 . 1 1 127 127 ARG N N 127 122.074 122.074 118.728 3.346 19415 9531 1 20 . 1 1 127 127 ARG HA H 127 5.047 5.047 4.999 0.048 19415 9532 1 20 . 1 1 127 127 ARG C C 127 175.671 175.671 175.580 0.091 19415 9533 1 20 . 1 1 127 127 ARG CA C 127 55.559 55.559 57.463 -1.904 19415 9534 1 20 . 1 1 127 127 ARG CB C 127 30.862 30.862 30.768 0.094 19415 9535 1 20 . 1 1 127 127 ARG H H 127 8.697 8.697 8.399 0.298 19415 9536 1 20 . 1 1 128 128 PHE N N 128 120.179 120.179 121.992 -1.813 19415 9537 1 20 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.824 0.370 19415 9538 1 20 . 1 1 128 128 PHE C C 128 171.304 171.304 173.151 -1.847 19415 9539 1 20 . 1 1 128 128 PHE CA C 128 55.427 55.427 57.208 -1.781 19415 9540 1 20 . 1 1 128 128 PHE CB C 128 43.513 43.513 43.018 0.495 19415 9541 1 20 . 1 1 128 128 PHE H H 128 8.869 8.869 8.307 0.562 19415 9542 1 20 . 1 1 129 129 HIS N N 129 118.586 118.586 122.799 -4.213 19415 9543 1 20 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.352 0.329 19415 9544 1 20 . 1 1 129 129 HIS C C 129 173.764 173.764 172.667 1.097 19415 9545 1 20 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.940 -0.130 19415 9546 1 20 . 1 1 129 129 HIS CB C 129 34.983 34.983 33.768 1.215 19415 9547 1 20 . 1 1 129 129 HIS H H 129 9.292 9.292 8.662 0.630 19415 9548 1 20 . 1 1 130 130 TYR N N 130 125.995 125.995 128.576 -2.581 19415 9549 1 20 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.472 0.247 19415 9550 1 20 . 1 1 130 130 TYR C C 130 174.625 174.625 174.551 0.074 19415 9551 1 20 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.685 -0.503 19415 9552 1 20 . 1 1 130 130 TYR CB C 130 40.279 40.279 38.947 1.332 19415 9553 1 20 . 1 1 130 130 TYR H H 130 8.865 8.865 8.371 0.494 19415 9554 1 20 . 1 1 131 131 ILE N N 131 126.610 126.610 125.133 1.477 19415 9555 1 20 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.458 -0.135 19415 9556 1 20 . 1 1 131 131 ILE C C 131 175.516 175.516 175.340 0.176 19415 9557 1 20 . 1 1 131 131 ILE CA C 131 59.727 59.727 59.963 -0.236 19415 9558 1 20 . 1 1 131 131 ILE CB C 131 41.170 41.170 40.106 1.064 19415 9559 1 20 . 1 1 131 131 ILE H H 131 8.889 8.889 8.629 0.260 19415 9560 1 20 . 1 1 132 132 ASN N N 132 126.614 126.614 126.865 -0.251 19415 9561 1 20 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.352 0.009 19415 9562 1 20 . 1 1 132 132 ASN C C 132 175.421 175.421 174.924 0.497 19415 9563 1 20 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.822 0.111 19415 9564 1 20 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.964 -0.624 19415 9565 1 20 . 1 1 132 132 ASN H H 132 9.375 9.375 9.163 0.212 19415 9566 1 20 . 1 1 133 133 GLY N N 133 102.667 102.667 102.560 0.107 19415 9567 1 20 . 1 1 133 133 GLY C C 133 173.969 173.969 173.267 0.702 19415 9568 1 20 . 1 1 133 133 GLY CA C 133 45.395 45.395 44.990 0.405 19415 9569 1 20 . 1 1 133 133 GLY H H 133 7.417 7.417 8.280 -0.863 19415 9570 1 20 . 1 1 134 134 SER N N 134 117.123 117.123 113.729 3.394 19415 9571 1 20 . 1 1 134 134 SER HA H 134 4.743 4.743 4.505 0.238 19415 9572 1 20 . 1 1 134 134 SER C C 134 170.825 170.825 172.503 -1.678 19415 9573 1 20 . 1 1 134 134 SER CA C 134 57.754 57.754 57.215 0.539 19415 9574 1 20 . 1 1 134 134 SER CB C 134 66.060 66.060 66.648 -0.588 19415 9575 1 20 . 1 1 134 134 SER H H 134 7.639 7.639 6.822 0.817 19415 9576 1 20 . 1 1 135 135 LEU N N 135 122.242 122.242 122.979 -0.737 19415 9577 1 20 . 1 1 135 135 LEU HA H 135 5.214 5.214 5.294 -0.080 19415 9578 1 20 . 1 1 135 135 LEU C C 135 177.735 177.735 175.289 2.446 19415 9579 1 20 . 1 1 135 135 LEU CA C 135 53.429 53.429 53.948 -0.519 19415 9580 1 20 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.946 1.739 19415 9581 1 20 . 1 1 135 135 LEU H H 135 8.236 8.236 7.811 0.425 19415 9582 1 20 . 1 1 136 136 PHE N N 136 118.689 118.689 120.882 -2.193 19415 9583 1 20 . 1 1 136 136 PHE HA H 136 5.990 5.990 4.962 1.028 19415 9584 1 20 . 1 1 136 136 PHE C C 136 175.971 175.971 174.384 1.587 19415 9585 1 20 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.638 0.266 19415 9586 1 20 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.205 1.124 19415 9587 1 20 . 1 1 136 136 PHE H H 136 9.221 9.221 8.952 0.269 19415 9588 1 20 . 1 1 137 137 CYS N N 137 121.328 121.328 117.512 3.816 19415 9589 1 20 . 1 1 137 137 CYS HA H 137 4.966 4.966 4.976 -0.010 19415 9590 1 20 . 1 1 137 137 CYS C C 137 175.030 175.030 173.986 1.044 19415 9591 1 20 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.514 1.040 19415 9592 1 20 . 1 1 137 137 CYS CB C 137 30.225 30.225 30.452 -0.227 19415 9593 1 20 . 1 1 137 137 CYS H H 137 9.716 9.716 8.744 0.972 19415 9594 1 20 . 1 1 138 138 GLU N N 138 118.055 118.055 119.785 -1.730 19415 9595 1 20 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.121 0.022 19415 9596 1 20 . 1 1 138 138 GLU C C 138 178.535 178.535 178.225 0.310 19415 9597 1 20 . 1 1 138 138 GLU CA C 138 59.569 59.569 59.041 0.528 19415 9598 1 20 . 1 1 138 138 GLU CB C 138 29.895 29.895 30.022 -0.127 19415 9599 1 20 . 1 1 138 138 GLU H H 138 8.476 8.476 8.678 -0.202 19415 9600 1 20 . 1 1 139 139 HIS N N 139 117.190 117.190 118.723 -1.533 19415 9601 1 20 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.485 -0.055 19415 9602 1 20 . 1 1 139 139 HIS C C 139 175.584 175.584 176.204 -0.620 19415 9603 1 20 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.380 -0.250 19415 9604 1 20 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.551 -1.605 19415 9605 1 20 . 1 1 139 139 HIS H H 139 8.365 8.365 7.669 0.696 19415 9606 1 20 . 1 1 140 140 ASP N N 140 118.373 118.373 118.701 -0.328 19415 9607 1 20 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.607 0.349 19415 9608 1 20 . 1 1 140 140 ASP C C 140 174.258 174.258 175.332 -1.074 19415 9609 1 20 . 1 1 140 140 ASP CA C 140 54.319 54.319 53.093 1.226 19415 9610 1 20 . 1 1 140 140 ASP CB C 140 42.317 42.317 40.340 1.977 19415 9611 1 20 . 1 1 140 140 ASP H H 140 8.082 8.082 7.989 0.093 19415 9612 1 20 . 1 1 141 141 ARG N N 141 121.880 121.880 120.912 0.968 19415 9613 1 20 . 1 1 141 141 ARG HA H 141 3.616 3.616 4.038 -0.422 19415 9614 1 20 . 1 1 141 141 ARG C C 141 173.939 173.939 174.189 -0.250 19415 9615 1 20 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.638 -0.916 19415 9616 1 20 . 1 1 141 141 ARG CB C 141 29.423 29.423 30.428 -1.005 19415 9617 1 20 . 1 1 141 141 ARG H H 141 7.120 7.120 7.471 -0.351 19415 9618 1 20 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.264 -0.014 19415 9619 1 20 . 1 1 142 142 PRO C C 142 176.688 176.688 176.847 -0.159 19415 9620 1 20 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.330 0.369 19415 9621 1 20 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.939 -0.690 19415 9622 1 20 . 1 1 143 143 THR N N 143 115.472 115.472 118.942 -3.470 19415 9623 1 20 . 1 1 143 143 THR HA H 143 3.924 3.924 4.265 -0.341 19415 9624 1 20 . 1 1 143 143 THR C C 143 174.890 174.890 173.563 1.327 19415 9625 1 20 . 1 1 143 143 THR CA C 143 63.099 63.099 62.424 0.675 19415 9626 1 20 . 1 1 143 143 THR CB C 143 69.197 69.197 67.133 2.064 19415 9627 1 20 . 1 1 143 143 THR H H 143 8.015 8.015 8.452 -0.437 19415 9628 1 20 . 1 1 144 144 ALA N N 144 124.502 124.502 124.507 -0.005 19415 9629 1 20 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.355 -0.155 19415 9630 1 20 . 1 1 144 144 ALA C C 144 177.656 177.656 176.132 1.524 19415 9631 1 20 . 1 1 144 144 ALA CA C 144 52.807 52.807 52.424 0.383 19415 9632 1 20 . 1 1 144 144 ALA CB C 144 19.005 19.005 20.110 -1.105 19415 9633 1 20 . 1 1 144 144 ALA H H 144 8.130 8.130 7.836 0.294 19415 9634 1 20 . 1 1 145 145 LEU N N 145 119.506 119.506 120.336 -0.830 19415 9635 1 20 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.410 -0.134 19415 9636 1 20 . 1 1 145 145 LEU C C 145 177.574 177.574 175.659 1.915 19415 9637 1 20 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.707 0.360 19415 9638 1 20 . 1 1 145 145 LEU CB C 145 42.231 42.231 41.112 1.119 19415 9639 1 20 . 1 1 145 145 LEU H H 145 7.897 7.897 8.057 -0.160 19415 9640 1 20 . 1 1 146 146 ILE N N 146 120.683 120.683 121.363 -0.680 19415 9641 1 20 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.132 -0.077 19415 9642 1 20 . 1 1 146 146 ILE C C 146 176.259 176.259 175.166 1.093 19415 9643 1 20 . 1 1 146 146 ILE CA C 146 61.486 61.486 60.635 0.851 19415 9644 1 20 . 1 1 146 146 ILE CB C 146 38.629 38.629 40.163 -1.534 19415 9645 1 20 . 1 1 146 146 ILE H H 146 7.842 7.842 8.130 -0.288 19415 9646 1 20 . 1 1 405 405 ALA N N 405 133.214 133.214 129.742 3.472 19415 9647 1 20 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.037 0.434 19415 9648 1 20 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.008 -0.190 19415 9649 1 20 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.457 -1.410 19415 9650 1 20 . 1 1 405 405 ALA H H 405 9.651 9.651 8.653 0.998 19415 9651 1 20 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.545 0.042 19415 9652 1 20 . 1 1 406 406 PRO C C 406 174.175 174.175 176.038 -1.863 19415 9653 1 20 . 1 1 406 406 PRO CA C 406 61.942 61.942 62.184 -0.241 19415 9654 1 20 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.295 0.694 19415 9655 1 20 . 1 1 407 407 PHE N N 407 113.077 113.077 117.585 -4.508 19415 9656 1 20 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.648 -0.144 19415 9657 1 20 . 1 1 407 407 PHE C C 407 174.954 174.954 174.430 0.524 19415 9658 1 20 . 1 1 407 407 PHE CA C 407 57.263 57.263 55.905 1.358 19415 9659 1 20 . 1 1 407 407 PHE CB C 407 38.318 38.318 39.457 -1.139 19415 9660 1 20 . 1 1 407 407 PHE H H 407 7.899 7.899 8.251 -0.352 19415 9661 1 20 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.697 0.056 19415 9662 1 20 . 1 1 408 408 PRO C C 408 175.865 175.865 175.735 0.130 19415 9663 1 20 . 1 1 408 408 PRO CA C 408 62.926 62.926 63.079 -0.153 19415 9664 1 20 . 1 1 408 408 PRO CB C 408 33.457 33.457 32.003 1.454 19415 9665 1 20 . 1 1 409 409 GLU N N 409 119.349 119.349 122.793 -3.444 19415 9666 1 20 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.597 0.126 19415 9667 1 20 . 1 1 409 409 GLU C C 409 174.291 174.291 174.765 -0.474 19415 9668 1 20 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.654 -0.474 19415 9669 1 20 . 1 1 409 409 GLU CB C 409 34.429 34.429 34.400 0.029 19415 9670 1 20 . 1 1 409 409 GLU H H 409 8.813 8.813 8.901 -0.088 19415 9671 1 20 . 1 1 410 410 ALA N N 410 124.017 124.017 121.542 2.475 19415 9672 1 20 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.727 -0.396 19415 9673 1 20 . 1 1 410 410 ALA C C 410 178.181 178.181 176.822 1.359 19415 9674 1 20 . 1 1 410 410 ALA CA C 410 52.241 52.241 51.769 0.472 19415 9675 1 20 . 1 1 410 410 ALA CB C 410 19.102 19.102 20.067 -0.965 19415 9676 1 20 . 1 1 410 410 ALA H H 410 8.562 8.562 8.482 0.080 19415 9677 1 20 . 1 1 411 411 ALA N N 411 124.837 124.837 125.370 -0.533 19415 9678 1 20 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.410 -0.481 19415 9679 1 20 . 1 1 411 411 ALA C C 411 178.042 178.042 176.583 1.459 19415 9680 1 20 . 1 1 411 411 ALA CA C 411 54.247 54.247 51.511 2.736 19415 9681 1 20 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.366 -0.636 19415 9682 1 20 . 1 1 411 411 ALA H H 411 8.475 8.475 8.250 0.225 19415 9683 1 20 . 1 1 412 412 LEU N N 412 119.893 119.893 121.157 -1.264 19415 9684 1 20 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.512 0.196 19415 9685 1 20 . 1 1 412 412 LEU C C 412 174.281 174.281 175.207 -0.926 19415 9686 1 20 . 1 1 412 412 LEU CA C 412 52.130 52.130 53.192 -1.062 19415 9687 1 20 . 1 1 412 412 LEU CB C 412 42.645 42.645 42.896 -0.251 19415 9688 1 20 . 1 1 412 412 LEU H H 412 8.075 8.075 8.388 -0.313 19415 9689 1 20 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.643 -0.190 19415 9690 1 20 . 1 1 413 413 PRO C C 413 177.094 177.094 176.738 0.356 19415 9691 1 20 . 1 1 413 413 PRO CA C 413 63.001 63.001 63.168 -0.167 19415 9692 1 20 . 1 1 413 413 PRO CB C 413 32.179 32.179 31.729 0.450 19415 9693 1 20 . 1 1 414 414 THR N N 414 114.256 114.256 121.113 -6.857 19415 9694 1 20 . 1 1 414 414 THR HA H 414 4.294 4.294 4.381 -0.087 19415 9695 1 20 . 1 1 414 414 THR C C 414 174.480 174.480 175.100 -0.620 19415 9696 1 20 . 1 1 414 414 THR CA C 414 61.757 61.757 62.699 -0.942 19415 9697 1 20 . 1 1 414 414 THR CB C 414 69.712 69.712 70.103 -0.391 19415 9698 1 20 . 1 1 414 414 THR H H 414 8.177 8.177 8.118 0.059 19415 9699 1 20 . 1 1 415 415 SER N N 415 117.918 117.918 114.089 3.829 19415 9700 1 20 . 1 1 415 415 SER HA H 415 4.424 4.424 4.312 0.112 19415 9701 1 20 . 1 1 415 415 SER C C 415 173.689 173.689 173.194 0.495 19415 9702 1 20 . 1 1 415 415 SER CA C 415 58.072 58.072 59.807 -1.735 19415 9703 1 20 . 1 1 415 415 SER CB C 415 63.852 63.852 63.368 0.484 19415 9704 1 20 . 1 1 415 415 SER H H 415 8.193 8.193 8.357 -0.164 19415 9705 1 20 . 1 1 416 416 HIS N N 416 121.537 121.537 120.254 1.283 19415 9706 1 20 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.853 0.089 19415 9707 1 20 . 1 1 416 416 HIS C C 416 172.547 172.547 173.204 -0.657 19415 9708 1 20 . 1 1 416 416 HIS CA C 416 53.702 53.702 53.893 -0.191 19415 9709 1 20 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.256 -0.794 19415 9710 1 20 . 1 1 416 416 HIS H H 416 8.373 8.373 8.510 -0.137 19415 9711 1 20 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.510 -0.089 19415 9712 1 20 . 1 1 417 417 PRO C C 417 176.060 176.060 176.489 -0.429 19415 9713 1 20 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.863 0.585 19415 9714 1 20 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.345 -0.186 19415 9715 1 20 . 1 1 902 902 GLY N N 902 108.524 108.524 110.127 -1.603 19415 9716 1 20 . 1 1 902 902 GLY CA C 902 45.359 45.359 45.607 -0.248 19415 9717 1 20 . 1 1 902 902 GLY H H 902 8.196 8.196 8.218 -0.022 19415 9718 1 20 . 1 1 903 903 SER N N 903 115.821 115.821 119.304 -3.483 19415 9719 1 20 . 1 1 903 903 SER HA H 903 4.403 4.403 4.316 0.087 19415 9720 1 20 . 1 1 903 903 SER CA C 903 58.602 58.602 60.247 -1.645 19415 9721 1 20 . 1 1 903 903 SER CB C 903 63.762 63.762 63.551 0.211 19415 9722 1 20 . 1 1 903 903 SER H H 903 8.354 8.354 8.616 -0.262 19415 9723 1 20 . 1 1 904 904 GLY N N 904 110.847 110.847 107.739 3.108 19415 9724 1 20 . 1 1 904 904 GLY C C 904 174.889 174.889 174.538 0.351 19415 9725 1 20 . 1 1 904 904 GLY CA C 904 45.594 45.594 45.172 0.422 19415 9726 1 20 . 1 1 904 904 GLY H H 904 8.558 8.558 8.121 0.437 19415 9727 1 20 . 1 1 905 905 GLY N N 905 108.922 108.922 107.265 1.657 19415 9728 1 20 . 1 1 905 905 GLY C C 905 174.452 174.452 173.309 1.143 19415 9729 1 20 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.005 1.544 19415 9730 1 20 . 1 1 905 905 GLY H H 905 8.307 8.307 8.093 0.214 19415 9731 1 20 . 1 1 906 906 SER N N 906 115.224 115.224 113.645 1.579 19415 9732 1 20 . 1 1 906 906 SER HA H 906 4.552 4.552 4.571 -0.019 19415 9733 1 20 . 1 1 906 906 SER C C 906 175.108 175.108 174.024 1.084 19415 9734 1 20 . 1 1 906 906 SER CA C 906 58.647 58.647 57.999 0.648 19415 9735 1 20 . 1 1 906 906 SER CB C 906 64.091 64.091 65.336 -1.245 19415 9736 1 20 . 1 1 906 906 SER H H 906 8.362 8.362 8.441 -0.079 19415 9737 1 20 . 1 1 907 907 GLY N N 907 110.875 110.875 111.803 -0.928 19415 9738 1 20 . 1 1 907 907 GLY C C 907 173.335 173.335 173.821 -0.486 19415 9739 1 20 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.950 0.060 19415 9740 1 20 . 1 1 907 907 GLY H H 907 8.437 8.437 8.612 -0.175 19415 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 81 2.887 -0.065 2.905 19415 2 1 1 "Average Difference" HA 94 0.390 0.027 0.391 19415 3 1 1 "Average Difference" C 83 1.191 -0.183 1.184 19415 4 1 1 "Average Difference" CA 88 1.055 -0.290 1.021 19415 5 1 1 "Average Difference" CB 78 1.369 -0.290 1.347 19415 6 1 1 "Average Difference" HN 81 0.435 -0.082 0.430 19415 7 1 2 "Average Difference" N 81 3.404 -0.047 3.425 19415 8 1 2 "Average Difference" HA 94 0.359 0.042 0.358 19415 9 1 2 "Average Difference" C 83 1.136 -0.143 1.134 19415 10 1 2 "Average Difference" CA 88 1.010 -0.141 1.006 19415 11 1 2 "Average Difference" CB 78 1.449 -0.318 1.423 19415 12 1 2 "Average Difference" HN 81 0.449 -0.075 0.446 19415 13 1 3 "Average Difference" N 81 3.277 0.110 3.295 19415 14 1 3 "Average Difference" HA 94 0.370 0.026 0.371 19415 15 1 3 "Average Difference" C 83 1.088 -0.186 1.078 19415 16 1 3 "Average Difference" CA 88 1.288 -0.200 1.280 19415 17 1 3 "Average Difference" CB 78 1.597 -0.348 1.569 19415 18 1 3 "Average Difference" HN 81 0.456 -0.069 0.453 19415 19 1 4 "Average Difference" N 81 3.113 0.331 3.115 19415 20 1 4 "Average Difference" HA 94 0.365 0.008 0.367 19415 21 1 4 "Average Difference" C 83 1.141 -0.178 1.134 19415 22 1 4 "Average Difference" CA 88 1.061 -0.261 1.034 19415 23 1 4 "Average Difference" CB 78 1.566 -0.298 1.548 19415 24 1 4 "Average Difference" HN 81 0.456 -0.061 0.454 19415 25 1 5 "Average Difference" N 81 3.094 -0.222 3.105 19415 26 1 5 "Average Difference" HA 94 0.376 0.034 0.377 19415 27 1 5 "Average Difference" C 83 1.140 -0.122 1.140 19415 28 1 5 "Average Difference" CA 88 1.120 -0.224 1.104 19415 29 1 5 "Average Difference" CB 78 1.547 -0.242 1.538 19415 30 1 5 "Average Difference" HN 81 0.538 -0.047 0.539 19415 31 1 6 "Average Difference" N 81 3.244 -0.131 3.262 19415 32 1 6 "Average Difference" HA 94 0.372 -0.007 0.374 19415 33 1 6 "Average Difference" C 83 1.099 -0.135 1.097 19415 34 1 6 "Average Difference" CA 88 1.031 -0.237 1.009 19415 35 1 6 "Average Difference" CB 78 1.354 -0.363 1.312 19415 36 1 6 "Average Difference" HN 81 0.452 -0.064 0.450 19415 37 1 7 "Average Difference" N 81 3.364 0.041 3.385 19415 38 1 7 "Average Difference" HA 94 0.370 -0.017 0.371 19415 39 1 7 "Average Difference" C 83 1.057 -0.187 1.046 19415 40 1 7 "Average Difference" CA 88 1.069 -0.232 1.049 19415 41 1 7 "Average Difference" CB 78 1.529 -0.236 1.520 19415 42 1 7 "Average Difference" HN 81 0.508 -0.100 0.501 19415 43 1 8 "Average Difference" N 81 3.194 -0.244 3.205 19415 44 1 8 "Average Difference" HA 94 0.379 0.041 0.379 19415 45 1 8 "Average Difference" C 83 1.185 -0.168 1.180 19415 46 1 8 "Average Difference" CA 88 1.077 -0.253 1.053 19415 47 1 8 "Average Difference" CB 78 1.665 -0.196 1.664 19415 48 1 8 "Average Difference" HN 81 0.494 -0.049 0.495 19415 49 1 9 "Average Difference" N 81 3.309 -0.153 3.326 19415 50 1 9 "Average Difference" HA 94 0.374 0.031 0.375 19415 51 1 9 "Average Difference" C 83 1.088 -0.091 1.091 19415 52 1 9 "Average Difference" CA 88 1.202 -0.228 1.187 19415 53 1 9 "Average Difference" CB 78 1.396 -0.270 1.379 19415 54 1 9 "Average Difference" HN 81 0.441 -0.075 0.438 19415 55 1 10 "Average Difference" N 81 2.678 -0.132 2.691 19415 56 1 10 "Average Difference" HA 94 0.351 0.019 0.353 19415 57 1 10 "Average Difference" C 83 1.119 -0.097 1.122 19415 58 1 10 "Average Difference" CA 88 1.121 -0.241 1.101 19415 59 1 10 "Average Difference" CB 78 1.477 -0.378 1.437 19415 60 1 10 "Average Difference" HN 81 0.448 -0.052 0.447 19415 61 1 11 "Average Difference" N 81 3.384 -0.136 3.402 19415 62 1 11 "Average Difference" HA 94 0.351 -0.027 0.352 19415 63 1 11 "Average Difference" C 83 1.085 -0.045 1.091 19415 64 1 11 "Average Difference" CA 88 1.198 0.047 1.203 19415 65 1 11 "Average Difference" CB 78 1.460 -0.420 1.407 19415 66 1 11 "Average Difference" HN 81 0.504 -0.074 0.501 19415 67 1 12 "Average Difference" N 81 3.195 0.053 3.215 19415 68 1 12 "Average Difference" HA 94 0.342 0.025 0.343 19415 69 1 12 "Average Difference" C 83 1.174 -0.259 1.153 19415 70 1 12 "Average Difference" CA 88 1.122 -0.205 1.110 19415 71 1 12 "Average Difference" CB 78 1.521 -0.145 1.524 19415 72 1 12 "Average Difference" HN 81 0.485 -0.104 0.476 19415 73 1 13 "Average Difference" N 81 3.374 0.105 3.393 19415 74 1 13 "Average Difference" HA 94 0.366 0.013 0.368 19415 75 1 13 "Average Difference" C 83 1.144 -0.200 1.133 19415 76 1 13 "Average Difference" CA 88 1.136 -0.278 1.108 19415 77 1 13 "Average Difference" CB 78 1.545 -0.337 1.517 19415 78 1 13 "Average Difference" HN 81 0.521 -0.083 0.517 19415 79 1 14 "Average Difference" N 81 3.476 0.316 3.483 19415 80 1 14 "Average Difference" HA 94 0.408 0.015 0.410 19415 81 1 14 "Average Difference" C 83 1.101 -0.171 1.094 19415 82 1 14 "Average Difference" CA 88 1.096 -0.249 1.074 19415 83 1 14 "Average Difference" CB 78 1.481 -0.306 1.458 19415 84 1 14 "Average Difference" HN 81 0.448 -0.074 0.444 19415 85 1 15 "Average Difference" N 81 3.137 0.458 3.122 19415 86 1 15 "Average Difference" HA 94 0.341 0.001 0.343 19415 87 1 15 "Average Difference" C 83 1.009 -0.126 1.008 19415 88 1 15 "Average Difference" CA 88 1.129 -0.133 1.128 19415 89 1 15 "Average Difference" CB 78 1.402 -0.342 1.368 19415 90 1 15 "Average Difference" HN 81 0.481 -0.079 0.478 19415 91 1 16 "Average Difference" N 81 3.090 0.006 3.109 19415 92 1 16 "Average Difference" HA 94 0.362 0.001 0.364 19415 93 1 16 "Average Difference" C 83 1.144 -0.221 1.130 19415 94 1 16 "Average Difference" CA 88 1.004 -0.183 0.993 19415 95 1 16 "Average Difference" CB 78 1.246 -0.189 1.239 19415 96 1 16 "Average Difference" HN 81 0.474 -0.046 0.474 19415 97 1 17 "Average Difference" N 81 3.573 0.169 3.592 19415 98 1 17 "Average Difference" HA 94 0.392 0.026 0.393 19415 99 1 17 "Average Difference" C 83 1.150 -0.058 1.156 19415 100 1 17 "Average Difference" CA 88 1.224 -0.118 1.225 19415 101 1 17 "Average Difference" CB 78 1.634 -0.409 1.592 19415 102 1 17 "Average Difference" HN 81 0.505 -0.034 0.507 19415 103 1 18 "Average Difference" N 81 3.045 -0.215 3.056 19415 104 1 18 "Average Difference" HA 94 0.353 -0.010 0.355 19415 105 1 18 "Average Difference" C 83 1.162 -0.029 1.168 19415 106 1 18 "Average Difference" CA 88 1.147 -0.154 1.143 19415 107 1 18 "Average Difference" CB 78 1.512 -0.321 1.487 19415 108 1 18 "Average Difference" HN 81 0.458 -0.094 0.451 19415 109 1 19 "Average Difference" N 81 3.293 0.228 3.306 19415 110 1 19 "Average Difference" HA 94 0.368 -0.003 0.370 19415 111 1 19 "Average Difference" C 83 1.120 -0.121 1.120 19415 112 1 19 "Average Difference" CA 88 1.101 -0.175 1.093 19415 113 1 19 "Average Difference" CB 78 1.571 -0.379 1.534 19415 114 1 19 "Average Difference" HN 81 0.473 -0.109 0.463 19415 115 1 20 "Average Difference" N 81 3.178 0.111 3.196 19415 116 1 20 "Average Difference" HA 94 0.340 0.031 0.340 19415 117 1 20 "Average Difference" C 83 1.048 -0.184 1.038 19415 118 1 20 "Average Difference" CA 88 1.081 -0.159 1.076 19415 119 1 20 "Average Difference" CB 78 1.429 -0.325 1.401 19415 120 1 20 "Average Difference" HN 81 0.471 -0.057 0.470 19415 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 19415 _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 78 78 ILE N N 78 124.415 124.415 122.152 2.263 19415 2 1 . 1 1 78 78 ILE HA H 78 4.042 4.042 4.360 -0.318 19415 3 1 . 1 1 78 78 ILE C C 78 175.260 175.260 175.416 -0.156 19415 4 1 . 1 1 78 78 ILE CA C 78 60.727 60.727 61.484 -0.757 19415 5 1 . 1 1 78 78 ILE CB C 78 38.922 38.922 37.995 0.927 19415 6 1 . 1 1 78 78 ILE H H 78 8.025 8.025 8.130 -0.105 19415 7 1 . 1 1 79 79 ARG N N 79 125.999 125.999 125.471 0.528 19415 8 1 . 1 1 79 79 ARG HA H 79 4.215 4.215 4.465 -0.250 19415 9 1 . 1 1 79 79 ARG C C 79 175.494 175.494 175.184 0.310 19415 10 1 . 1 1 79 79 ARG CA C 79 55.856 55.856 56.045 -0.189 19415 11 1 . 1 1 79 79 ARG CB C 79 30.774 30.774 31.316 -0.542 19415 12 1 . 1 1 79 79 ARG H H 79 8.249 8.249 8.497 -0.248 19415 13 1 . 1 1 80 80 LEU N N 80 124.427 124.427 117.792 6.635 19415 14 1 . 1 1 80 80 LEU HA H 80 4.292 4.292 4.680 -0.388 19415 15 1 . 1 1 80 80 LEU C C 80 176.785 176.785 175.963 0.822 19415 16 1 . 1 1 80 80 LEU CA C 80 54.820 54.820 53.958 0.862 19415 17 1 . 1 1 80 80 LEU CB C 80 42.520 42.520 43.070 -0.550 19415 18 1 . 1 1 80 80 LEU H H 80 8.190 8.190 7.613 0.577 19415 19 1 . 1 1 81 81 PHE N N 81 120.462 120.462 121.450 -0.988 19415 20 1 . 1 1 81 81 PHE HA H 81 4.624 4.624 4.412 0.212 19415 21 1 . 1 1 81 81 PHE C C 81 176.212 176.212 176.300 -0.088 19415 22 1 . 1 1 81 81 PHE CA C 81 57.570 57.570 59.145 -1.575 19415 23 1 . 1 1 81 81 PHE CB C 81 39.802 39.802 38.461 1.341 19415 24 1 . 1 1 81 81 PHE H H 81 8.244 8.244 8.568 -0.324 19415 25 1 . 1 1 82 82 GLY N N 82 110.003 110.003 108.782 1.221 19415 26 1 . 1 1 82 82 GLY C C 82 173.730 173.730 173.549 0.181 19415 27 1 . 1 1 82 82 GLY CA C 82 45.415 45.415 44.833 0.582 19415 28 1 . 1 1 82 82 GLY H H 82 8.351 8.351 8.264 0.087 19415 29 1 . 1 1 83 83 ASN N N 83 118.840 118.840 119.092 -0.252 19415 30 1 . 1 1 83 83 ASN HA H 83 4.794 4.794 4.606 0.188 19415 31 1 . 1 1 83 83 ASN C C 83 175.312 175.312 174.650 0.662 19415 32 1 . 1 1 83 83 ASN CA C 83 52.996 52.996 53.663 -0.667 19415 33 1 . 1 1 83 83 ASN CB C 83 39.137 39.137 38.466 0.671 19415 34 1 . 1 1 83 83 ASN H H 83 8.325 8.325 8.282 0.043 19415 35 1 . 1 1 84 84 SER N N 84 116.555 116.555 116.144 0.411 19415 36 1 . 1 1 84 84 SER CA C 84 58.823 58.823 58.997 -0.174 19415 37 1 . 1 1 84 84 SER CB C 84 63.887 63.887 64.338 -0.451 19415 38 1 . 1 1 84 84 SER H H 84 8.463 8.463 8.333 0.130 19415 39 1 . 1 1 85 85 GLY N N 85 109.826 109.826 109.643 0.183 19415 40 1 . 1 1 85 85 GLY C C 85 172.709 172.709 172.054 0.655 19415 41 1 . 1 1 85 85 GLY CA C 85 45.153 45.153 45.092 0.061 19415 42 1 . 1 1 85 85 GLY H H 85 8.341 8.341 7.950 0.390 19415 43 1 . 1 1 86 86 ALA N N 86 122.100 122.100 124.021 -1.921 19415 44 1 . 1 1 86 86 ALA HA H 86 4.447 4.447 4.894 -0.447 19415 45 1 . 1 1 86 86 ALA C C 86 175.383 175.383 175.661 -0.278 19415 46 1 . 1 1 86 86 ALA CA C 86 50.523 50.523 50.588 -0.065 19415 47 1 . 1 1 86 86 ALA CB C 86 20.712 20.712 21.780 -1.068 19415 48 1 . 1 1 86 86 ALA H H 86 7.703 7.703 7.949 -0.246 19415 49 1 . 1 1 87 87 CYS N N 87 121.922 121.922 119.804 2.118 19415 50 1 . 1 1 87 87 CYS HA H 87 4.197 4.197 4.711 -0.514 19415 51 1 . 1 1 87 87 CYS C C 87 178.454 178.454 176.275 2.179 19415 52 1 . 1 1 87 87 CYS CA C 87 58.515 58.515 57.547 0.968 19415 53 1 . 1 1 87 87 CYS CB C 87 31.600 31.600 28.794 2.806 19415 54 1 . 1 1 87 87 CYS H H 87 7.968 7.968 8.399 -0.431 19415 55 1 . 1 1 88 88 SER N N 88 126.804 126.804 121.481 5.323 19415 56 1 . 1 1 88 88 SER HA H 88 4.174 4.174 4.425 -0.251 19415 57 1 . 1 1 88 88 SER C C 88 173.647 173.647 174.846 -1.199 19415 58 1 . 1 1 88 88 SER CA C 88 62.158 62.158 60.245 1.913 19415 59 1 . 1 1 88 88 SER CB C 88 63.401 63.401 62.747 0.654 19415 60 1 . 1 1 88 88 SER H H 88 9.202 9.202 8.413 0.789 19415 61 1 . 1 1 89 89 ALA N N 89 123.763 123.763 123.234 0.529 19415 62 1 . 1 1 89 89 ALA HA H 89 4.836 4.836 4.565 0.271 19415 63 1 . 1 1 89 89 ALA C C 89 178.007 178.007 178.393 -0.386 19415 64 1 . 1 1 89 89 ALA CA C 89 53.933 53.933 53.769 0.164 19415 65 1 . 1 1 89 89 ALA CB C 89 21.245 21.245 19.482 1.763 19415 66 1 . 1 1 89 89 ALA H H 89 8.964 8.964 7.811 1.153 19415 67 1 . 1 1 90 90 CYS N N 90 115.099 115.099 115.563 -0.464 19415 68 1 . 1 1 90 90 CYS HA H 90 5.032 5.032 4.624 0.408 19415 69 1 . 1 1 90 90 CYS C C 90 177.164 177.164 176.035 1.129 19415 70 1 . 1 1 90 90 CYS CA C 90 58.754 58.754 59.614 -0.860 19415 71 1 . 1 1 90 90 CYS CB C 90 31.688 31.688 28.496 3.192 19415 72 1 . 1 1 90 90 CYS H H 90 8.078 8.078 7.967 0.111 19415 73 1 . 1 1 91 91 GLY N N 91 112.869 112.869 107.763 5.106 19415 74 1 . 1 1 91 91 GLY C C 91 173.725 173.725 173.657 0.068 19415 75 1 . 1 1 91 91 GLY CA C 91 46.303 46.303 45.080 1.223 19415 76 1 . 1 1 91 91 GLY H H 91 7.996 7.996 8.249 -0.253 19415 77 1 . 1 1 92 92 GLN N N 92 119.848 119.848 120.180 -0.332 19415 78 1 . 1 1 92 92 GLN HA H 92 4.575 4.575 4.547 0.028 19415 79 1 . 1 1 92 92 GLN C C 92 176.015 176.015 175.821 0.194 19415 80 1 . 1 1 92 92 GLN CA C 92 54.954 54.954 54.625 0.329 19415 81 1 . 1 1 92 92 GLN CB C 92 30.026 30.026 30.350 -0.324 19415 82 1 . 1 1 92 92 GLN H H 92 8.341 8.341 7.901 0.440 19415 83 1 . 1 1 93 93 SER N N 93 116.734 116.734 118.089 -1.355 19415 84 1 . 1 1 93 93 SER C C 93 173.776 173.776 174.738 -0.961 19415 85 1 . 1 1 93 93 SER CA C 93 59.491 59.491 58.994 0.497 19415 86 1 . 1 1 93 93 SER CB C 93 63.707 63.707 63.694 0.013 19415 87 1 . 1 1 93 93 SER H H 93 8.656 8.656 8.608 0.048 19415 88 1 . 1 1 94 94 ILE N N 94 126.045 126.045 124.390 1.655 19415 89 1 . 1 1 94 94 ILE HA H 94 4.342 4.342 4.539 -0.197 19415 90 1 . 1 1 94 94 ILE CA C 94 58.525 58.525 59.224 -0.699 19415 91 1 . 1 1 94 94 ILE CB C 94 39.907 39.907 38.693 1.214 19415 92 1 . 1 1 94 94 ILE H H 94 8.281 8.281 8.324 -0.043 19415 93 1 . 1 1 95 95 PRO HA H 95 4.473 4.473 4.643 -0.170 19415 94 1 . 1 1 95 95 PRO C C 95 176.605 176.605 177.445 -0.840 19415 95 1 . 1 1 95 95 PRO CA C 95 62.852 62.852 62.024 0.828 19415 96 1 . 1 1 95 95 PRO CB C 95 32.791 32.791 32.302 0.489 19415 97 1 . 1 1 96 96 ALA N N 96 122.591 122.591 123.486 -0.895 19415 98 1 . 1 1 96 96 ALA HA H 96 4.000 4.000 4.188 -0.188 19415 99 1 . 1 1 96 96 ALA C C 96 177.763 177.763 177.612 0.151 19415 100 1 . 1 1 96 96 ALA CA C 96 54.605 54.605 53.921 0.684 19415 101 1 . 1 1 96 96 ALA CB C 96 19.106 19.106 18.458 0.648 19415 102 1 . 1 1 96 96 ALA H H 96 8.400 8.400 8.556 -0.156 19415 103 1 . 1 1 97 97 SER N N 97 107.288 107.288 112.197 -4.909 19415 104 1 . 1 1 97 97 SER HA H 97 4.270 4.270 4.473 -0.203 19415 105 1 . 1 1 97 97 SER C C 97 174.625 174.625 174.357 0.268 19415 106 1 . 1 1 97 97 SER CA C 97 58.532 58.532 58.484 0.048 19415 107 1 . 1 1 97 97 SER CB C 97 63.538 63.538 63.460 0.078 19415 108 1 . 1 1 97 97 SER H H 97 7.796 7.796 8.056 -0.260 19415 109 1 . 1 1 98 98 GLU N N 98 124.231 124.231 122.281 1.950 19415 110 1 . 1 1 98 98 GLU HA H 98 4.257 4.257 4.524 -0.267 19415 111 1 . 1 1 98 98 GLU C C 98 175.476 175.476 174.687 0.789 19415 112 1 . 1 1 98 98 GLU CA C 98 56.521 56.521 55.582 0.939 19415 113 1 . 1 1 98 98 GLU CB C 98 31.081 31.081 31.737 -0.657 19415 114 1 . 1 1 98 98 GLU H H 98 7.649 7.649 7.576 0.073 19415 115 1 . 1 1 99 99 LEU N N 99 122.696 122.696 123.676 -0.980 19415 116 1 . 1 1 99 99 LEU HA H 99 4.505 4.505 4.620 -0.115 19415 117 1 . 1 1 99 99 LEU C C 99 176.253 176.253 176.004 0.249 19415 118 1 . 1 1 99 99 LEU CA C 99 54.635 54.635 54.258 0.377 19415 119 1 . 1 1 99 99 LEU CB C 99 42.967 42.967 43.316 -0.349 19415 120 1 . 1 1 99 99 LEU H H 99 8.250 8.250 8.492 -0.242 19415 121 1 . 1 1 100 100 VAL N N 100 112.933 112.933 117.110 -4.177 19415 122 1 . 1 1 100 100 VAL HA H 100 4.903 4.903 4.612 0.291 19415 123 1 . 1 1 100 100 VAL C C 100 175.544 175.544 174.524 1.020 19415 124 1 . 1 1 100 100 VAL CA C 100 58.747 58.747 59.305 -0.558 19415 125 1 . 1 1 100 100 VAL CB C 100 35.898 35.898 34.392 1.506 19415 126 1 . 1 1 100 100 VAL H H 100 8.934 8.934 8.970 -0.036 19415 127 1 . 1 1 101 101 MET N N 101 116.964 116.964 122.543 -5.579 19415 128 1 . 1 1 101 101 MET HA H 101 4.676 4.676 4.632 0.044 19415 129 1 . 1 1 101 101 MET C C 101 175.197 175.197 174.890 0.307 19415 130 1 . 1 1 101 101 MET CA C 101 52.397 52.397 54.467 -2.070 19415 131 1 . 1 1 101 101 MET CB C 101 34.490 34.490 33.687 0.803 19415 132 1 . 1 1 101 101 MET H H 101 8.299 8.299 8.617 -0.318 19415 133 1 . 1 1 102 102 ARG N N 102 122.278 122.278 124.627 -2.349 19415 134 1 . 1 1 102 102 ARG HA H 102 5.154 5.154 4.685 0.469 19415 135 1 . 1 1 102 102 ARG C C 102 175.008 175.008 175.053 -0.045 19415 136 1 . 1 1 102 102 ARG CA C 102 54.850 54.850 55.173 -0.323 19415 137 1 . 1 1 102 102 ARG CB C 102 32.335 32.335 31.143 1.192 19415 138 1 . 1 1 102 102 ARG H H 102 8.112 8.112 8.443 -0.331 19415 139 1 . 1 1 103 103 ALA N N 103 123.373 123.373 128.016 -4.643 19415 140 1 . 1 1 103 103 ALA HA H 103 4.599 4.599 4.465 0.134 19415 141 1 . 1 1 103 103 ALA C C 103 176.137 176.137 177.029 -0.892 19415 142 1 . 1 1 103 103 ALA CA C 103 52.049 52.049 52.350 -0.301 19415 143 1 . 1 1 103 103 ALA CB C 103 21.835 21.835 19.904 1.931 19415 144 1 . 1 1 103 103 ALA H H 103 8.129 8.129 8.574 -0.445 19415 145 1 . 1 1 104 104 GLN N N 104 120.352 120.352 117.939 2.413 19415 146 1 . 1 1 104 104 GLN HA H 104 3.802 3.802 4.346 -0.544 19415 147 1 . 1 1 104 104 GLN C C 104 175.032 175.032 176.439 -1.407 19415 148 1 . 1 1 104 104 GLN CA C 104 56.385 56.385 56.179 0.206 19415 149 1 . 1 1 104 104 GLN CB C 104 25.801 25.801 28.693 -2.892 19415 150 1 . 1 1 104 104 GLN H H 104 9.312 9.312 8.108 1.204 19415 151 1 . 1 1 105 105 GLY N N 105 105.580 105.580 109.200 -3.620 19415 152 1 . 1 1 105 105 GLY C C 105 173.414 173.414 174.239 -0.825 19415 153 1 . 1 1 105 105 GLY CA C 105 45.475 45.475 45.184 0.291 19415 154 1 . 1 1 105 105 GLY H H 105 8.493 8.493 8.490 0.003 19415 155 1 . 1 1 106 106 ASN N N 106 120.347 120.347 119.617 0.730 19415 156 1 . 1 1 106 106 ASN HA H 106 4.820 4.820 4.861 -0.041 19415 157 1 . 1 1 106 106 ASN C C 106 174.060 174.060 173.599 0.461 19415 158 1 . 1 1 106 106 ASN CA C 106 51.777 51.777 52.576 -0.799 19415 159 1 . 1 1 106 106 ASN CB C 106 41.604 41.604 40.507 1.097 19415 160 1 . 1 1 106 106 ASN H H 106 8.085 8.085 7.849 0.237 19415 161 1 . 1 1 107 107 VAL N N 107 118.992 118.992 117.345 1.647 19415 162 1 . 1 1 107 107 VAL HA H 107 4.774 4.774 4.545 0.229 19415 163 1 . 1 1 107 107 VAL C C 107 173.066 173.066 173.824 -0.758 19415 164 1 . 1 1 107 107 VAL CA C 107 60.576 60.576 60.311 0.265 19415 165 1 . 1 1 107 107 VAL CB C 107 34.475 34.475 33.464 1.011 19415 166 1 . 1 1 107 107 VAL H H 107 8.207 8.207 8.027 0.180 19415 167 1 . 1 1 108 108 TYR N N 108 121.397 121.397 121.221 0.176 19415 168 1 . 1 1 108 108 TYR HA H 108 5.930 5.930 4.836 1.094 19415 169 1 . 1 1 108 108 TYR C C 108 177.709 177.709 175.316 2.393 19415 170 1 . 1 1 108 108 TYR CA C 108 56.002 56.002 56.124 -0.122 19415 171 1 . 1 1 108 108 TYR CB C 108 42.938 42.938 42.291 0.647 19415 172 1 . 1 1 108 108 TYR H H 108 8.681 8.681 8.517 0.164 19415 173 1 . 1 1 109 109 HIS N N 109 120.399 120.399 118.127 2.272 19415 174 1 . 1 1 109 109 HIS HA H 109 4.757 4.757 4.721 0.036 19415 175 1 . 1 1 109 109 HIS C C 109 178.297 178.297 176.453 1.844 19415 176 1 . 1 1 109 109 HIS CA C 109 59.269 59.269 56.030 3.239 19415 177 1 . 1 1 109 109 HIS CB C 109 31.439 31.439 31.446 -0.007 19415 178 1 . 1 1 109 109 HIS H H 109 8.681 8.681 8.699 -0.018 19415 179 1 . 1 1 110 110 LEU N N 110 124.629 124.629 119.253 5.376 19415 180 1 . 1 1 110 110 LEU HA H 110 3.882 3.882 4.231 -0.349 19415 181 1 . 1 1 110 110 LEU C C 110 180.956 180.956 178.143 2.813 19415 182 1 . 1 1 110 110 LEU CA C 110 60.072 60.072 57.787 2.285 19415 183 1 . 1 1 110 110 LEU CB C 110 40.482 40.482 42.021 -1.539 19415 184 1 . 1 1 110 110 LEU H H 110 8.924 8.924 8.731 0.193 19415 185 1 . 1 1 111 111 LYS N N 111 112.542 112.542 116.776 -4.234 19415 186 1 . 1 1 111 111 LYS HA H 111 3.996 3.996 4.220 -0.224 19415 187 1 . 1 1 111 111 LYS C C 111 176.711 176.711 177.188 -0.477 19415 188 1 . 1 1 111 111 LYS CA C 111 57.937 57.937 58.394 -0.457 19415 189 1 . 1 1 111 111 LYS CB C 111 31.709 31.709 31.712 -0.003 19415 190 1 . 1 1 111 111 LYS H H 111 8.586 8.586 8.275 0.311 19415 191 1 . 1 1 112 112 CYS N N 112 117.897 117.897 116.248 1.649 19415 192 1 . 1 1 112 112 CYS HA H 112 4.392 4.392 4.676 -0.284 19415 193 1 . 1 1 112 112 CYS C C 112 173.923 173.923 175.623 -1.700 19415 194 1 . 1 1 112 112 CYS CA C 112 60.255 60.255 58.780 1.475 19415 195 1 . 1 1 112 112 CYS CB C 112 31.434 31.434 26.456 4.978 19415 196 1 . 1 1 112 112 CYS H H 112 7.439 7.439 8.087 -0.648 19415 197 1 . 1 1 113 113 PHE N N 113 126.150 126.150 125.091 1.059 19415 198 1 . 1 1 113 113 PHE HA H 113 4.081 4.081 4.363 -0.282 19415 199 1 . 1 1 113 113 PHE C C 113 172.777 172.777 173.909 -1.132 19415 200 1 . 1 1 113 113 PHE CA C 113 57.131 57.131 56.257 0.874 19415 201 1 . 1 1 113 113 PHE CB C 113 36.809 36.809 37.257 -0.448 19415 202 1 . 1 1 113 113 PHE H H 113 7.467 7.467 8.159 -0.692 19415 203 1 . 1 1 114 114 THR N N 114 112.302 112.302 114.444 -2.142 19415 204 1 . 1 1 114 114 THR HA H 114 4.577 4.577 4.968 -0.391 19415 205 1 . 1 1 114 114 THR C C 114 172.592 172.592 173.651 -1.059 19415 206 1 . 1 1 114 114 THR CA C 114 57.922 57.922 59.558 -1.636 19415 207 1 . 1 1 114 114 THR CB C 114 72.187 72.187 71.819 0.368 19415 208 1 . 1 1 114 114 THR H H 114 6.895 6.895 7.790 -0.895 19415 209 1 . 1 1 115 115 CYS N N 115 121.388 121.388 119.998 1.390 19415 210 1 . 1 1 115 115 CYS HA H 115 3.790 3.790 4.535 -0.745 19415 211 1 . 1 1 115 115 CYS C C 115 177.309 177.309 176.380 0.929 19415 212 1 . 1 1 115 115 CYS CA C 115 59.284 59.284 58.151 1.133 19415 213 1 . 1 1 115 115 CYS CB C 115 31.621 31.621 28.733 2.888 19415 214 1 . 1 1 115 115 CYS H H 115 7.981 7.981 8.430 -0.449 19415 215 1 . 1 1 116 116 SER N N 116 127.333 127.333 120.572 6.761 19415 216 1 . 1 1 116 116 SER HA H 116 4.066 4.066 4.520 -0.454 19415 217 1 . 1 1 116 116 SER C C 116 174.522 174.522 175.223 -0.701 19415 218 1 . 1 1 116 116 SER CA C 116 61.507 61.507 60.419 1.088 19415 219 1 . 1 1 116 116 SER CB C 116 63.619 63.619 62.816 0.803 19415 220 1 . 1 1 116 116 SER H H 116 9.064 9.064 8.792 0.272 19415 221 1 . 1 1 117 117 THR N N 117 121.020 121.020 116.178 4.842 19415 222 1 . 1 1 117 117 THR HA H 117 4.384 4.384 4.462 -0.078 19415 223 1 . 1 1 117 117 THR C C 117 174.713 174.713 175.451 -0.738 19415 224 1 . 1 1 117 117 THR CA C 117 65.378 65.378 64.209 1.169 19415 225 1 . 1 1 117 117 THR CB C 117 69.656 69.656 69.664 -0.009 19415 226 1 . 1 1 117 117 THR H H 117 8.939 8.939 8.223 0.716 19415 227 1 . 1 1 118 118 CYS N N 118 120.215 120.215 117.169 3.046 19415 228 1 . 1 1 118 118 CYS HA H 118 4.348 4.348 4.869 -0.521 19415 229 1 . 1 1 118 118 CYS C C 118 176.041 176.041 174.329 1.712 19415 230 1 . 1 1 118 118 CYS CA C 118 59.487 59.487 57.798 1.689 19415 231 1 . 1 1 118 118 CYS CB C 118 29.824 29.824 29.108 0.716 19415 232 1 . 1 1 118 118 CYS H H 118 8.180 8.180 7.891 0.289 19415 233 1 . 1 1 119 119 ARG N N 119 114.664 114.664 119.114 -4.450 19415 234 1 . 1 1 119 119 ARG HA H 119 4.111 4.111 4.118 -0.007 19415 235 1 . 1 1 119 119 ARG C C 119 174.910 174.910 174.742 0.168 19415 236 1 . 1 1 119 119 ARG CA C 119 57.573 57.573 56.612 0.961 19415 237 1 . 1 1 119 119 ARG CB C 119 26.358 26.358 27.726 -1.368 19415 238 1 . 1 1 119 119 ARG H H 119 7.545 7.545 8.107 -0.562 19415 239 1 . 1 1 120 120 ASN N N 120 118.962 118.962 118.234 0.728 19415 240 1 . 1 1 120 120 ASN HA H 120 4.752 4.752 4.615 0.137 19415 241 1 . 1 1 120 120 ASN C C 120 175.950 175.950 175.135 0.815 19415 242 1 . 1 1 120 120 ASN CA C 120 53.504 53.504 53.121 0.383 19415 243 1 . 1 1 120 120 ASN CB C 120 39.298 39.298 39.574 -0.276 19415 244 1 . 1 1 120 120 ASN H H 120 8.232 8.232 8.004 0.228 19415 245 1 . 1 1 121 121 ARG N N 121 122.104 122.104 125.801 -3.697 19415 246 1 . 1 1 121 121 ARG HA H 121 3.985 3.985 4.361 -0.376 19415 247 1 . 1 1 121 121 ARG C C 121 175.638 175.638 176.046 -0.408 19415 248 1 . 1 1 121 121 ARG CA C 121 57.184 57.184 56.187 0.997 19415 249 1 . 1 1 121 121 ARG CB C 121 30.567 30.567 30.267 0.300 19415 250 1 . 1 1 121 121 ARG H H 121 8.603 8.603 8.543 0.060 19415 251 1 . 1 1 122 122 LEU N N 122 127.225 127.225 127.963 -0.738 19415 252 1 . 1 1 122 122 LEU HA H 122 4.529 4.529 4.258 0.271 19415 253 1 . 1 1 122 122 LEU C C 122 175.345 175.345 175.771 -0.426 19415 254 1 . 1 1 122 122 LEU CA C 122 53.827 53.827 55.257 -1.430 19415 255 1 . 1 1 122 122 LEU CB C 122 41.572 41.572 42.365 -0.793 19415 256 1 . 1 1 122 122 LEU H H 122 8.094 8.094 8.077 0.017 19415 257 1 . 1 1 123 123 VAL N N 123 121.030 121.030 119.793 1.237 19415 258 1 . 1 1 123 123 VAL HA H 123 4.475 4.475 4.499 -0.024 19415 259 1 . 1 1 123 123 VAL C C 123 173.190 173.190 173.839 -0.649 19415 260 1 . 1 1 123 123 VAL CA C 123 59.031 59.031 58.447 0.584 19415 261 1 . 1 1 123 123 VAL CB C 123 31.454 31.454 34.330 -2.876 19415 262 1 . 1 1 123 123 VAL H H 123 8.416 8.416 8.233 0.183 19415 263 1 . 1 1 124 124 PRO HA H 124 3.640 3.640 4.124 -0.484 19415 264 1 . 1 1 124 124 PRO C C 124 177.425 177.425 177.249 0.176 19415 265 1 . 1 1 124 124 PRO CA C 124 64.032 64.032 63.420 0.612 19415 266 1 . 1 1 124 124 PRO CB C 124 31.235 31.235 30.203 1.032 19415 267 1 . 1 1 125 125 GLY N N 125 113.120 113.120 113.841 -0.721 19415 268 1 . 1 1 125 125 GLY C C 125 174.384 174.384 173.839 0.545 19415 269 1 . 1 1 125 125 GLY CA C 125 45.103 45.103 44.935 0.168 19415 270 1 . 1 1 125 125 GLY H H 125 8.574 8.574 8.509 0.065 19415 271 1 . 1 1 126 126 ASP N N 126 122.488 122.488 120.792 1.696 19415 272 1 . 1 1 126 126 ASP HA H 126 4.723 4.723 4.964 -0.241 19415 273 1 . 1 1 126 126 ASP C C 126 176.558 176.558 174.798 1.760 19415 274 1 . 1 1 126 126 ASP CA C 126 54.324 54.324 52.615 1.709 19415 275 1 . 1 1 126 126 ASP CB C 126 41.602 41.602 43.258 -1.656 19415 276 1 . 1 1 126 126 ASP H H 126 8.476 8.476 8.190 0.286 19415 277 1 . 1 1 127 127 ARG N N 127 122.074 122.074 118.585 3.489 19415 278 1 . 1 1 127 127 ARG HA H 127 5.047 5.047 5.064 -0.017 19415 279 1 . 1 1 127 127 ARG C C 127 175.671 175.671 175.545 0.126 19415 280 1 . 1 1 127 127 ARG CA C 127 55.559 55.559 56.167 -0.609 19415 281 1 . 1 1 127 127 ARG CB C 127 30.862 30.862 31.446 -0.584 19415 282 1 . 1 1 127 127 ARG H H 127 8.697 8.697 8.455 0.242 19415 283 1 . 1 1 128 128 PHE N N 128 120.179 120.179 121.073 -0.893 19415 284 1 . 1 1 128 128 PHE HA H 128 5.194 5.194 4.917 0.277 19415 285 1 . 1 1 128 128 PHE C C 128 171.304 171.304 172.910 -1.606 19415 286 1 . 1 1 128 128 PHE CA C 128 55.427 55.427 56.366 -0.939 19415 287 1 . 1 1 128 128 PHE CB C 128 43.513 43.513 42.310 1.203 19415 288 1 . 1 1 128 128 PHE H H 128 8.869 8.869 8.889 -0.020 19415 289 1 . 1 1 129 129 HIS N N 129 118.586 118.586 120.608 -2.022 19415 290 1 . 1 1 129 129 HIS HA H 129 4.681 4.681 4.563 0.118 19415 291 1 . 1 1 129 129 HIS C C 129 173.764 173.764 173.062 0.702 19415 292 1 . 1 1 129 129 HIS CA C 129 54.810 54.810 54.754 0.056 19415 293 1 . 1 1 129 129 HIS CB C 129 34.983 34.983 33.444 1.539 19415 294 1 . 1 1 129 129 HIS H H 129 9.292 9.292 8.884 0.408 19415 295 1 . 1 1 130 130 TYR N N 130 125.995 125.995 127.699 -1.704 19415 296 1 . 1 1 130 130 TYR HA H 130 5.719 5.719 5.410 0.309 19415 297 1 . 1 1 130 130 TYR C C 130 174.625 174.625 174.457 0.168 19415 298 1 . 1 1 130 130 TYR CA C 130 56.182 56.182 56.717 -0.535 19415 299 1 . 1 1 130 130 TYR CB C 130 40.279 40.279 39.060 1.219 19415 300 1 . 1 1 130 130 TYR H H 130 8.865 8.865 8.453 0.412 19415 301 1 . 1 1 131 131 ILE N N 131 126.610 126.610 127.312 -0.702 19415 302 1 . 1 1 131 131 ILE HA H 131 4.323 4.323 4.342 -0.019 19415 303 1 . 1 1 131 131 ILE C C 131 175.516 175.516 175.292 0.224 19415 304 1 . 1 1 131 131 ILE CA C 131 59.727 59.727 60.187 -0.460 19415 305 1 . 1 1 131 131 ILE CB C 131 41.170 41.170 39.583 1.587 19415 306 1 . 1 1 131 131 ILE H H 131 8.889 8.889 8.490 0.399 19415 307 1 . 1 1 132 132 ASN N N 132 126.614 126.614 126.153 0.461 19415 308 1 . 1 1 132 132 ASN HA H 132 4.361 4.361 4.376 -0.015 19415 309 1 . 1 1 132 132 ASN C C 132 175.421 175.421 175.212 0.209 19415 310 1 . 1 1 132 132 ASN CA C 132 53.933 53.933 53.711 0.222 19415 311 1 . 1 1 132 132 ASN CB C 132 37.340 37.340 37.968 -0.628 19415 312 1 . 1 1 132 132 ASN H H 132 9.375 9.375 9.240 0.135 19415 313 1 . 1 1 133 133 GLY N N 133 102.667 102.667 102.666 0.001 19415 314 1 . 1 1 133 133 GLY C C 133 173.969 173.969 173.165 0.804 19415 315 1 . 1 1 133 133 GLY CA C 133 45.395 45.395 45.042 0.353 19415 316 1 . 1 1 133 133 GLY H H 133 7.417 7.417 8.117 -0.700 19415 317 1 . 1 1 134 134 SER N N 134 117.123 117.123 114.119 3.004 19415 318 1 . 1 1 134 134 SER HA H 134 4.743 4.743 4.477 0.266 19415 319 1 . 1 1 134 134 SER C C 134 170.825 170.825 172.620 -1.795 19415 320 1 . 1 1 134 134 SER CA C 134 57.754 57.754 57.064 0.690 19415 321 1 . 1 1 134 134 SER CB C 134 66.060 66.060 66.024 0.036 19415 322 1 . 1 1 134 134 SER H H 134 7.639 7.639 6.927 0.712 19415 323 1 . 1 1 135 135 LEU N N 135 122.242 122.242 124.032 -1.790 19415 324 1 . 1 1 135 135 LEU HA H 135 5.214 5.214 4.965 0.249 19415 325 1 . 1 1 135 135 LEU C C 135 177.735 177.735 175.320 2.415 19415 326 1 . 1 1 135 135 LEU CA C 135 53.429 53.429 54.282 -0.852 19415 327 1 . 1 1 135 135 LEU CB C 135 44.685 44.685 42.461 2.224 19415 328 1 . 1 1 135 135 LEU H H 135 8.236 8.236 8.315 -0.079 19415 329 1 . 1 1 136 136 PHE N N 136 118.689 118.689 120.861 -2.172 19415 330 1 . 1 1 136 136 PHE HA H 136 5.990 5.990 5.022 0.968 19415 331 1 . 1 1 136 136 PHE C C 136 175.971 175.971 175.155 0.816 19415 332 1 . 1 1 136 136 PHE CA C 136 56.904 56.904 56.387 0.517 19415 333 1 . 1 1 136 136 PHE CB C 136 44.329 44.329 43.208 1.121 19415 334 1 . 1 1 136 136 PHE H H 136 9.221 9.221 8.997 0.224 19415 335 1 . 1 1 137 137 CYS N N 137 121.328 121.328 117.752 3.576 19415 336 1 . 1 1 137 137 CYS HA H 137 4.966 4.966 5.049 -0.083 19415 337 1 . 1 1 137 137 CYS C C 137 175.030 175.030 175.150 -0.120 19415 338 1 . 1 1 137 137 CYS CA C 137 57.553 57.553 56.468 1.085 19415 339 1 . 1 1 137 137 CYS CB C 137 30.225 30.225 31.191 -0.966 19415 340 1 . 1 1 137 137 CYS H H 137 9.716 9.716 9.040 0.676 19415 341 1 . 1 1 138 138 GLU N N 138 118.055 118.055 120.370 -2.315 19415 342 1 . 1 1 138 138 GLU HA H 138 4.143 4.143 4.187 -0.044 19415 343 1 . 1 1 138 138 GLU C C 138 178.535 178.535 177.534 1.001 19415 344 1 . 1 1 138 138 GLU CA C 138 59.569 59.569 58.993 0.576 19415 345 1 . 1 1 138 138 GLU CB C 138 29.895 29.895 29.696 0.199 19415 346 1 . 1 1 138 138 GLU H H 138 8.476 8.476 8.919 -0.443 19415 347 1 . 1 1 139 139 HIS N N 139 117.190 117.190 117.901 -0.711 19415 348 1 . 1 1 139 139 HIS HA H 139 4.430 4.430 4.478 -0.048 19415 349 1 . 1 1 139 139 HIS C C 139 175.584 175.584 175.972 -0.388 19415 350 1 . 1 1 139 139 HIS CA C 139 58.130 58.130 58.110 0.020 19415 351 1 . 1 1 139 139 HIS CB C 139 28.946 28.946 30.280 -1.334 19415 352 1 . 1 1 139 139 HIS H H 139 8.365 8.365 7.895 0.470 19415 353 1 . 1 1 140 140 ASP N N 140 118.373 118.373 117.901 0.472 19415 354 1 . 1 1 140 140 ASP HA H 140 4.956 4.956 4.563 0.393 19415 355 1 . 1 1 140 140 ASP C C 140 174.258 174.258 175.809 -1.551 19415 356 1 . 1 1 140 140 ASP CA C 140 54.319 54.319 54.404 -0.084 19415 357 1 . 1 1 140 140 ASP CB C 140 42.317 42.317 41.436 0.881 19415 358 1 . 1 1 140 140 ASP H H 140 8.082 8.082 7.863 0.219 19415 359 1 . 1 1 141 141 ARG N N 141 121.880 121.880 120.496 1.384 19415 360 1 . 1 1 141 141 ARG HA H 141 3.616 3.616 3.813 -0.197 19415 361 1 . 1 1 141 141 ARG C C 141 173.939 173.939 173.882 0.057 19415 362 1 . 1 1 141 141 ARG CA C 141 54.722 54.722 55.773 -1.051 19415 363 1 . 1 1 141 141 ARG CB C 141 29.423 29.423 29.464 -0.041 19415 364 1 . 1 1 141 141 ARG H H 141 7.120 7.120 7.637 -0.517 19415 365 1 . 1 1 142 142 PRO HA H 142 4.250 4.250 4.311 -0.061 19415 366 1 . 1 1 142 142 PRO C C 142 176.688 176.688 176.498 0.190 19415 367 1 . 1 1 142 142 PRO CA C 142 62.699 62.699 62.530 0.169 19415 368 1 . 1 1 142 142 PRO CB C 142 31.249 31.249 31.347 -0.098 19415 369 1 . 1 1 143 143 THR N N 143 115.472 115.472 117.569 -2.097 19415 370 1 . 1 1 143 143 THR HA H 143 3.924 3.924 4.140 -0.216 19415 371 1 . 1 1 143 143 THR C C 143 174.890 174.890 175.108 -0.218 19415 372 1 . 1 1 143 143 THR CA C 143 63.099 63.099 63.366 -0.267 19415 373 1 . 1 1 143 143 THR CB C 143 69.197 69.197 68.473 0.724 19415 374 1 . 1 1 143 143 THR H H 143 8.015 8.015 8.122 -0.107 19415 375 1 . 1 1 144 144 ALA N N 144 124.502 124.502 124.307 0.195 19415 376 1 . 1 1 144 144 ALA HA H 144 4.200 4.200 4.284 -0.084 19415 377 1 . 1 1 144 144 ALA C C 144 177.656 177.656 177.329 0.327 19415 378 1 . 1 1 144 144 ALA CA C 144 52.807 52.807 53.185 -0.378 19415 379 1 . 1 1 144 144 ALA CB C 144 19.005 19.005 18.891 0.114 19415 380 1 . 1 1 144 144 ALA H H 144 8.130 8.130 8.075 0.055 19415 381 1 . 1 1 145 145 LEU N N 145 119.506 119.506 120.228 -0.722 19415 382 1 . 1 1 145 145 LEU HA H 145 4.276 4.276 4.423 -0.147 19415 383 1 . 1 1 145 145 LEU C C 145 177.574 177.574 175.741 1.833 19415 384 1 . 1 1 145 145 LEU CA C 145 55.067 55.067 54.852 0.215 19415 385 1 . 1 1 145 145 LEU CB C 145 42.231 42.231 42.128 0.103 19415 386 1 . 1 1 145 145 LEU H H 145 7.897 7.897 7.778 0.119 19415 387 1 . 1 1 146 146 ILE N N 146 120.683 120.683 119.226 1.457 19415 388 1 . 1 1 146 146 ILE HA H 146 4.055 4.055 4.175 -0.120 19415 389 1 . 1 1 146 146 ILE C C 146 176.259 176.259 174.986 1.273 19415 390 1 . 1 1 146 146 ILE CA C 146 61.486 61.486 60.282 1.204 19415 391 1 . 1 1 146 146 ILE CB C 146 38.629 38.629 39.260 -0.631 19415 392 1 . 1 1 146 146 ILE H H 146 7.842 7.842 7.781 0.061 19415 393 1 . 1 1 405 405 ALA N N 405 133.214 133.214 128.026 5.188 19415 394 1 . 1 1 405 405 ALA HA H 405 4.471 4.471 4.089 0.382 19415 395 1 . 1 1 405 405 ALA CA C 405 50.818 50.818 51.262 -0.444 19415 396 1 . 1 1 405 405 ALA CB C 405 17.047 17.047 18.793 -1.746 19415 397 1 . 1 1 405 405 ALA H H 405 9.651 9.651 8.579 1.072 19415 398 1 . 1 1 406 406 PRO HA H 406 4.587 4.587 4.434 0.153 19415 399 1 . 1 1 406 406 PRO C C 406 174.175 174.175 176.163 -1.988 19415 400 1 . 1 1 406 406 PRO CA C 406 61.942 61.942 63.274 -1.332 19415 401 1 . 1 1 406 406 PRO CB C 406 32.989 32.989 32.190 0.799 19415 402 1 . 1 1 407 407 PHE N N 407 113.077 113.077 115.797 -2.720 19415 403 1 . 1 1 407 407 PHE HA H 407 4.504 4.504 4.497 0.007 19415 404 1 . 1 1 407 407 PHE C C 407 174.954 174.954 173.744 1.210 19415 405 1 . 1 1 407 407 PHE CA C 407 57.263 57.263 56.459 0.804 19415 406 1 . 1 1 407 407 PHE CB C 407 38.318 38.318 39.408 -1.090 19415 407 1 . 1 1 407 407 PHE H H 407 7.899 7.899 7.989 -0.090 19415 408 1 . 1 1 408 408 PRO HA H 408 4.753 4.753 4.637 0.116 19415 409 1 . 1 1 408 408 PRO C C 408 175.865 175.865 175.544 0.321 19415 410 1 . 1 1 408 408 PRO CA C 408 62.926 62.926 62.616 0.310 19415 411 1 . 1 1 408 408 PRO CB C 408 33.457 33.457 31.981 1.476 19415 412 1 . 1 1 409 409 GLU N N 409 119.349 119.349 123.541 -4.192 19415 413 1 . 1 1 409 409 GLU HA H 409 4.723 4.723 4.606 0.117 19415 414 1 . 1 1 409 409 GLU C C 409 174.291 174.291 175.039 -0.748 19415 415 1 . 1 1 409 409 GLU CA C 409 54.180 54.180 54.436 -0.256 19415 416 1 . 1 1 409 409 GLU CB C 409 34.429 34.429 33.557 0.872 19415 417 1 . 1 1 409 409 GLU H H 409 8.813 8.813 8.845 -0.032 19415 418 1 . 1 1 410 410 ALA N N 410 124.017 124.017 122.790 1.227 19415 419 1 . 1 1 410 410 ALA HA H 410 4.331 4.331 4.650 -0.319 19415 420 1 . 1 1 410 410 ALA C C 410 178.181 178.181 176.860 1.321 19415 421 1 . 1 1 410 410 ALA CA C 410 52.241 52.241 52.181 0.060 19415 422 1 . 1 1 410 410 ALA CB C 410 19.102 19.102 19.517 -0.415 19415 423 1 . 1 1 410 410 ALA H H 410 8.562 8.562 8.470 0.092 19415 424 1 . 1 1 411 411 ALA N N 411 124.837 124.837 127.096 -2.259 19415 425 1 . 1 1 411 411 ALA HA H 411 3.929 3.929 4.405 -0.476 19415 426 1 . 1 1 411 411 ALA C C 411 178.042 178.042 176.718 1.324 19415 427 1 . 1 1 411 411 ALA CA C 411 54.247 54.247 52.141 2.106 19415 428 1 . 1 1 411 411 ALA CB C 411 18.730 18.730 19.523 -0.793 19415 429 1 . 1 1 411 411 ALA H H 411 8.475 8.475 8.372 0.103 19415 430 1 . 1 1 412 412 LEU N N 412 119.893 119.893 120.964 -1.071 19415 431 1 . 1 1 412 412 LEU HA H 412 4.708 4.708 4.643 0.065 19415 432 1 . 1 1 412 412 LEU C C 412 174.281 174.281 174.718 -0.437 19415 433 1 . 1 1 412 412 LEU CA C 412 52.130 52.130 52.372 -0.242 19415 434 1 . 1 1 412 412 LEU CB C 412 42.645 42.645 42.830 -0.185 19415 435 1 . 1 1 412 412 LEU H H 412 8.075 8.075 8.028 0.047 19415 436 1 . 1 1 413 413 PRO HA H 413 4.453 4.453 4.702 -0.249 19415 437 1 . 1 1 413 413 PRO C C 413 177.094 177.094 176.673 0.421 19415 438 1 . 1 1 413 413 PRO CA C 413 63.001 63.001 62.420 0.581 19415 439 1 . 1 1 413 413 PRO CB C 413 32.179 32.179 32.226 -0.047 19415 440 1 . 1 1 414 414 THR N N 414 114.256 114.256 118.054 -3.798 19415 441 1 . 1 1 414 414 THR HA H 414 4.294 4.294 4.378 -0.084 19415 442 1 . 1 1 414 414 THR C C 414 174.480 174.480 174.895 -0.415 19415 443 1 . 1 1 414 414 THR CA C 414 61.757 61.757 62.503 -0.746 19415 444 1 . 1 1 414 414 THR CB C 414 69.712 69.712 69.896 -0.184 19415 445 1 . 1 1 414 414 THR H H 414 8.177 8.177 8.162 0.015 19415 446 1 . 1 1 415 415 SER N N 415 117.918 117.918 118.013 -0.095 19415 447 1 . 1 1 415 415 SER HA H 415 4.424 4.424 4.292 0.132 19415 448 1 . 1 1 415 415 SER C C 415 173.689 173.689 173.954 -0.265 19415 449 1 . 1 1 415 415 SER CA C 415 58.072 58.072 59.209 -1.137 19415 450 1 . 1 1 415 415 SER CB C 415 63.852 63.852 63.313 0.539 19415 451 1 . 1 1 415 415 SER H H 415 8.193 8.193 8.469 -0.276 19415 452 1 . 1 1 416 416 HIS N N 416 121.537 121.537 122.660 -1.123 19415 453 1 . 1 1 416 416 HIS HA H 416 4.942 4.942 4.769 0.173 19415 454 1 . 1 1 416 416 HIS C C 416 172.547 172.547 174.037 -1.490 19415 455 1 . 1 1 416 416 HIS CA C 416 53.702 53.702 54.159 -0.457 19415 456 1 . 1 1 416 416 HIS CB C 416 29.462 29.462 30.269 -0.807 19415 457 1 . 1 1 416 416 HIS H H 416 8.373 8.373 8.411 -0.038 19415 458 1 . 1 1 417 417 PRO HA H 417 4.421 4.421 4.522 -0.101 19415 459 1 . 1 1 417 417 PRO C C 417 176.060 176.060 176.623 -0.563 19415 460 1 . 1 1 417 417 PRO CA C 417 63.448 63.448 62.943 0.505 19415 461 1 . 1 1 417 417 PRO CB C 417 32.159 32.159 32.100 0.059 19415 462 1 . 1 1 902 902 GLY N N 902 108.524 108.524 109.376 -0.852 19415 463 1 . 1 1 902 902 GLY CA C 902 45.359 45.359 44.984 0.376 19415 464 1 . 1 1 902 902 GLY H H 902 8.196 8.196 8.172 0.024 19415 465 1 . 1 1 903 903 SER N N 903 115.821 115.821 118.803 -2.982 19415 466 1 . 1 1 903 903 SER HA H 903 4.403 4.403 4.388 0.015 19415 467 1 . 1 1 903 903 SER CA C 903 58.602 58.602 58.659 -0.057 19415 468 1 . 1 1 903 903 SER CB C 903 63.762 63.762 62.929 0.833 19415 469 1 . 1 1 903 903 SER H H 903 8.354 8.354 8.346 0.008 19415 470 1 . 1 1 904 904 GLY N N 904 110.847 110.847 111.824 -0.977 19415 471 1 . 1 1 904 904 GLY C C 904 174.889 174.889 174.539 0.350 19415 472 1 . 1 1 904 904 GLY CA C 904 45.594 45.594 45.277 0.317 19415 473 1 . 1 1 904 904 GLY H H 904 8.558 8.558 8.266 0.292 19415 474 1 . 1 1 905 905 GLY N N 905 108.922 108.922 110.559 -1.637 19415 475 1 . 1 1 905 905 GLY C C 905 174.452 174.452 174.165 0.287 19415 476 1 . 1 1 905 905 GLY CA C 905 45.549 45.549 44.758 0.791 19415 477 1 . 1 1 905 905 GLY H H 905 8.307 8.307 8.149 0.158 19415 478 1 . 1 1 906 906 SER N N 906 115.224 115.224 116.581 -1.357 19415 479 1 . 1 1 906 906 SER HA H 906 4.552 4.552 4.418 0.134 19415 480 1 . 1 1 906 906 SER C C 906 175.108 175.108 174.305 0.802 19415 481 1 . 1 1 906 906 SER CA C 906 58.647 58.647 58.759 -0.112 19415 482 1 . 1 1 906 906 SER CB C 906 64.091 64.091 63.497 0.594 19415 483 1 . 1 1 906 906 SER H H 906 8.362 8.362 8.001 0.361 19415 484 1 . 1 1 907 907 GLY N N 907 110.875 110.875 110.010 0.865 19415 485 1 . 1 1 907 907 GLY C C 907 173.335 173.335 173.361 -0.026 19415 486 1 . 1 1 907 907 GLY CA C 907 45.010 45.010 44.714 0.296 19415 487 1 . 1 1 907 907 GLY H H 907 8.437 8.437 8.201 0.236 19415 stop_ save_