data_19553 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19553 _Entry.PDB_ID 2MFK 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 19553 _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 76 76 PRO HA H 76 4.521 4.521 4.517 0.004 19553 2 1 1 . 1 1 76 76 PRO C C 76 176.427 176.427 176.126 0.301 19553 3 1 1 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.507 0.550 19553 4 1 1 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.254 0.107 19553 5 1 1 . 1 1 77 77 LEU N N 77 122.647 122.647 121.551 1.096 19553 6 1 1 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.299 0.130 19553 7 1 1 . 1 1 77 77 LEU C C 77 175.532 175.532 176.604 -1.072 19553 8 1 1 . 1 1 77 77 LEU CA C 77 55.650 55.650 55.216 0.434 19553 9 1 1 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.230 0.111 19553 10 1 1 . 1 1 77 77 LEU H H 77 8.571 8.571 7.564 1.007 19553 11 1 1 . 1 1 78 78 GLY N N 78 110.072 110.072 111.770 -1.698 19553 12 1 1 . 1 1 78 78 GLY C C 78 179.395 179.395 174.610 4.785 19553 13 1 1 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.276 -0.006 19553 14 1 1 . 1 1 78 78 GLY H H 78 8.483 8.483 8.658 -0.175 19553 15 1 1 . 1 1 79 79 SER N N 79 115.122 115.122 115.573 -0.451 19553 16 1 1 . 1 1 79 79 SER HA H 79 4.549 4.549 4.067 0.482 19553 17 1 1 . 1 1 79 79 SER C C 79 179.859 179.859 173.359 6.500 19553 18 1 1 . 1 1 79 79 SER CA C 79 58.151 58.151 59.815 -1.664 19553 19 1 1 . 1 1 79 79 SER CB C 79 64.330 64.330 63.463 0.867 19553 20 1 1 . 1 1 79 79 SER H H 79 8.151 8.151 8.020 0.131 19553 21 1 1 . 1 1 80 80 ASP N N 80 122.779 122.779 118.376 4.403 19553 22 1 1 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.312 -0.559 19553 23 1 1 . 1 1 80 80 ASP C C 80 178.137 178.137 174.859 3.278 19553 24 1 1 . 1 1 80 80 ASP CA C 80 54.028 54.028 52.993 1.035 19553 25 1 1 . 1 1 80 80 ASP CB C 80 41.202 41.202 43.721 -2.519 19553 26 1 1 . 1 1 80 80 ASP H H 80 8.294 8.294 7.646 0.648 19553 27 1 1 . 1 1 81 81 LEU N N 81 125.106 125.106 123.713 1.393 19553 28 1 1 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.717 -0.234 19553 29 1 1 . 1 1 81 81 LEU C C 81 178.326 178.326 175.219 3.107 19553 30 1 1 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.557 0.553 19553 31 1 1 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.633 -3.543 19553 32 1 1 . 1 1 81 81 LEU H H 81 8.532 8.532 8.606 -0.074 19553 33 1 1 . 1 1 82 82 ILE N N 82 120.036 120.036 123.932 -3.896 19553 34 1 1 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.808 0.012 19553 35 1 1 . 1 1 82 82 ILE C C 82 177.782 177.782 175.787 1.995 19553 36 1 1 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.343 -1.169 19553 37 1 1 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.252 1.667 19553 38 1 1 . 1 1 82 82 ILE H H 82 7.848 7.848 8.204 -0.355 19553 39 1 1 . 1 1 83 83 VAL N N 83 119.733 119.733 120.020 -0.287 19553 40 1 1 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.653 -0.223 19553 41 1 1 . 1 1 83 83 VAL C C 83 179.809 179.809 173.817 5.992 19553 42 1 1 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.227 0.226 19553 43 1 1 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.962 -0.808 19553 44 1 1 . 1 1 83 83 VAL H H 83 8.511 8.511 8.904 -0.393 19553 45 1 1 . 1 1 84 84 HIS N N 84 122.907 122.907 120.369 2.538 19553 46 1 1 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.521 0.039 19553 47 1 1 . 1 1 84 84 HIS C C 84 178.593 178.593 174.805 3.788 19553 48 1 1 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.213 -0.636 19553 49 1 1 . 1 1 84 84 HIS CB C 84 30.967 30.967 31.383 -0.416 19553 50 1 1 . 1 1 84 84 HIS H H 84 8.908 8.908 8.573 0.335 19553 51 1 1 . 1 1 85 85 GLU N N 85 124.766 124.766 125.693 -0.927 19553 52 1 1 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.606 0.160 19553 53 1 1 . 1 1 85 85 GLU C C 85 176.641 176.641 176.783 -0.142 19553 54 1 1 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.691 1.681 19553 55 1 1 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.592 3.329 19553 56 1 1 . 1 1 85 85 GLU H H 85 8.979 8.979 9.246 -0.267 19553 57 1 1 . 1 1 86 86 GLY N N 86 119.987 119.987 115.165 4.822 19553 58 1 1 . 1 1 86 86 GLY C C 86 178.249 178.249 174.783 3.466 19553 59 1 1 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.475 1.801 19553 60 1 1 . 1 1 86 86 GLY H H 86 9.540 9.540 9.014 0.526 19553 61 1 1 . 1 1 87 87 GLY N N 87 108.242 108.242 105.680 2.562 19553 62 1 1 . 1 1 87 87 GLY C C 87 179.578 179.578 175.296 4.282 19553 63 1 1 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.325 -0.384 19553 64 1 1 . 1 1 87 87 GLY H H 87 8.920 8.920 8.680 0.240 19553 65 1 1 . 1 1 88 88 LYS N N 88 121.010 121.010 123.824 -2.814 19553 66 1 1 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.529 0.089 19553 67 1 1 . 1 1 88 88 LYS C C 88 178.241 178.241 175.788 2.453 19553 68 1 1 . 1 1 88 88 LYS CA C 88 54.917 54.917 55.218 -0.301 19553 69 1 1 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.328 1.824 19553 70 1 1 . 1 1 88 88 LYS H H 88 7.858 7.858 7.676 0.182 19553 71 1 1 . 1 1 89 89 THR N N 89 117.172 117.172 116.728 0.444 19553 72 1 1 . 1 1 89 89 THR HA H 89 4.691 4.691 5.033 -0.342 19553 73 1 1 . 1 1 89 89 THR C C 89 180.192 180.192 174.216 5.976 19553 74 1 1 . 1 1 89 89 THR CA C 89 61.646 61.646 61.435 0.211 19553 75 1 1 . 1 1 89 89 THR CB C 89 70.339 70.339 69.399 0.940 19553 76 1 1 . 1 1 89 89 THR H H 89 8.230 8.230 8.152 0.078 19553 77 1 1 . 1 1 90 90 TYR N N 90 123.521 123.521 124.518 -0.997 19553 78 1 1 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.800 -0.121 19553 79 1 1 . 1 1 90 90 TYR C C 90 179.282 179.282 174.651 4.631 19553 80 1 1 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.522 -0.115 19553 81 1 1 . 1 1 90 90 TYR CB C 90 40.972 40.972 43.448 -2.476 19553 82 1 1 . 1 1 90 90 TYR H H 90 8.927 8.927 8.984 -0.057 19553 83 1 1 . 1 1 91 91 HIS N N 91 120.999 120.999 119.844 1.155 19553 84 1 1 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.167 -0.081 19553 85 1 1 . 1 1 91 91 HIS C C 91 178.719 178.719 175.085 3.634 19553 86 1 1 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.505 -0.522 19553 87 1 1 . 1 1 91 91 HIS CB C 91 29.492 29.492 32.209 -2.716 19553 88 1 1 . 1 1 91 91 HIS H H 91 8.987 8.987 8.643 0.344 19553 89 1 1 . 1 1 92 92 VAL N N 92 120.849 120.849 123.980 -3.131 19553 90 1 1 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.196 0.204 19553 91 1 1 . 1 1 92 92 VAL C C 92 180.110 180.110 173.874 6.236 19553 92 1 1 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.503 -1.343 19553 93 1 1 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.548 0.995 19553 94 1 1 . 1 1 92 92 VAL H H 92 8.677 8.677 9.085 -0.408 19553 95 1 1 . 1 1 93 93 VAL N N 93 121.626 121.626 126.181 -4.555 19553 96 1 1 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.741 -0.560 19553 97 1 1 . 1 1 93 93 VAL C C 93 178.555 178.555 174.812 3.743 19553 98 1 1 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.168 0.379 19553 99 1 1 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.731 -0.456 19553 100 1 1 . 1 1 93 93 VAL H H 93 7.997 7.997 8.161 -0.164 19553 101 1 1 . 1 1 94 94 CYS N N 94 123.035 123.035 126.902 -3.867 19553 102 1 1 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.582 -0.189 19553 103 1 1 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.317 -4.826 19553 104 1 1 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.600 14.892 19553 105 1 1 . 1 1 94 94 CYS H H 94 7.890 7.890 8.373 -0.483 19553 106 1 1 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.535 -0.102 19553 107 1 1 . 1 1 95 95 HIS C C 95 179.991 179.991 174.606 5.385 19553 108 1 1 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.499 -1.088 19553 109 1 1 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.810 0.465 19553 110 1 1 . 1 1 96 96 GLU N N 96 117.019 117.019 118.292 -1.273 19553 111 1 1 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.766 0.075 19553 112 1 1 . 1 1 96 96 GLU C C 96 178.360 178.360 175.587 2.773 19553 113 1 1 . 1 1 96 96 GLU CA C 96 54.440 54.440 54.800 -0.360 19553 114 1 1 . 1 1 96 96 GLU CB C 96 32.505 32.505 31.859 0.646 19553 115 1 1 . 1 1 96 96 GLU H H 96 7.623 7.623 8.099 -0.476 19553 116 1 1 . 1 1 97 97 GLU N N 97 121.779 121.779 121.946 -0.167 19553 117 1 1 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.330 0.113 19553 118 1 1 . 1 1 97 97 GLU C C 97 176.658 176.658 176.335 0.323 19553 119 1 1 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.809 1.123 19553 120 1 1 . 1 1 97 97 GLU CB C 97 30.651 30.651 29.486 1.165 19553 121 1 1 . 1 1 97 97 GLU H H 97 9.280 9.280 8.783 0.497 19553 122 1 1 . 1 1 98 98 GLY N N 98 109.900 109.900 112.903 -3.003 19553 123 1 1 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.551 -0.275 19553 124 1 1 . 1 1 98 98 GLY H H 98 8.745 8.745 7.989 0.756 19553 125 1 1 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.462 0.207 19553 126 1 1 . 1 1 99 99 PRO C C 99 176.795 176.795 176.232 0.563 19553 127 1 1 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.600 -0.029 19553 128 1 1 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.388 1.299 19553 129 1 1 . 1 1 100 100 ILE N N 100 118.686 118.686 118.872 -0.186 19553 130 1 1 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.098 -0.191 19553 131 1 1 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.677 1.529 19553 132 1 1 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.705 0.399 19553 133 1 1 . 1 1 100 100 ILE H H 100 9.748 9.748 9.069 0.679 19553 134 1 1 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.659 -0.528 19553 135 1 1 . 1 1 101 101 PRO C C 101 177.525 177.525 176.413 1.112 19553 136 1 1 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.946 0.137 19553 137 1 1 . 1 1 101 101 PRO CB C 101 31.670 31.670 33.061 -1.391 19553 138 1 1 . 1 1 102 102 HIS N N 102 123.222 123.222 119.811 3.411 19553 139 1 1 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.738 -0.150 19553 140 1 1 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.103 -1.539 19553 141 1 1 . 1 1 102 102 HIS CB C 102 31.870 31.870 31.813 0.057 19553 142 1 1 . 1 1 102 102 HIS H H 102 8.717 8.717 8.509 0.208 19553 143 1 1 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.319 -0.038 19553 144 1 1 . 1 1 103 103 PRO CA C 103 63.475 63.475 65.014 -1.539 19553 145 1 1 . 1 1 103 103 PRO CB C 103 31.986 31.986 32.177 -0.191 19553 146 1 1 . 1 1 104 104 GLY N N 104 106.530 106.530 106.414 0.116 19553 147 1 1 . 1 1 104 104 GLY C C 104 180.058 180.058 174.160 5.898 19553 148 1 1 . 1 1 104 104 GLY CA C 104 44.711 44.711 45.485 -0.774 19553 149 1 1 . 1 1 104 104 GLY H H 104 9.682 9.682 8.370 1.312 19553 150 1 1 . 1 1 105 105 ASN N N 105 118.099 118.099 119.330 -1.231 19553 151 1 1 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.860 -0.184 19553 152 1 1 . 1 1 105 105 ASN C C 105 178.082 178.082 175.669 2.413 19553 153 1 1 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.283 1.951 19553 154 1 1 . 1 1 105 105 ASN CB C 105 39.173 39.173 38.389 0.784 19553 155 1 1 . 1 1 105 105 ASN H H 105 6.870 6.870 7.387 -0.517 19553 156 1 1 . 1 1 106 106 VAL N N 106 123.752 123.752 119.066 4.686 19553 157 1 1 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.931 0.648 19553 158 1 1 . 1 1 106 106 VAL C C 106 178.463 178.463 176.960 1.503 19553 159 1 1 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.839 -1.526 19553 160 1 1 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.671 -0.059 19553 161 1 1 . 1 1 106 106 VAL H H 106 8.774 8.774 8.787 -0.013 19553 162 1 1 . 1 1 107 107 HIS N N 107 116.712 116.712 119.852 -3.140 19553 163 1 1 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.507 0.083 19553 164 1 1 . 1 1 107 107 HIS C C 107 180.421 180.421 174.858 5.563 19553 165 1 1 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.953 -1.304 19553 166 1 1 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.664 -1.910 19553 167 1 1 . 1 1 107 107 HIS H H 107 9.171 9.171 8.545 0.626 19553 168 1 1 . 1 1 108 108 LYS N N 108 119.379 119.379 116.754 2.625 19553 169 1 1 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.805 0.313 19553 170 1 1 . 1 1 108 108 LYS C C 108 181.487 181.487 174.708 6.779 19553 171 1 1 . 1 1 108 108 LYS CA C 108 54.558 54.558 54.884 -0.326 19553 172 1 1 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.598 2.751 19553 173 1 1 . 1 1 108 108 LYS H H 108 7.627 7.627 7.677 -0.050 19553 174 1 1 . 1 1 109 109 TYR N N 109 114.203 114.203 117.204 -3.001 19553 175 1 1 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.813 -0.236 19553 176 1 1 . 1 1 109 109 TYR C C 109 181.588 181.588 172.720 8.868 19553 177 1 1 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.776 0.591 19553 178 1 1 . 1 1 109 109 TYR CB C 109 37.795 37.795 40.929 -3.134 19553 179 1 1 . 1 1 109 109 TYR H H 109 9.006 9.006 9.149 -0.143 19553 180 1 1 . 1 1 110 110 ILE N N 110 119.840 119.840 118.565 1.275 19553 181 1 1 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.630 0.055 19553 182 1 1 . 1 1 110 110 ILE C C 110 178.917 178.917 174.828 4.089 19553 183 1 1 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.265 -0.025 19553 184 1 1 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.437 -0.207 19553 185 1 1 . 1 1 110 110 ILE H H 110 8.764 8.764 9.050 -0.286 19553 186 1 1 . 1 1 111 111 ILE N N 111 124.346 124.346 126.845 -2.499 19553 187 1 1 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.426 -0.094 19553 188 1 1 . 1 1 111 111 ILE C C 111 175.896 175.896 174.995 0.901 19553 189 1 1 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.110 0.591 19553 190 1 1 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.258 1.255 19553 191 1 1 . 1 1 111 111 ILE H H 111 9.032 9.032 8.685 0.347 19553 192 1 1 . 1 1 112 112 CYS N N 112 128.772 128.772 128.856 -0.084 19553 193 1 1 . 1 1 112 112 CYS HA H 112 5.081 5.081 5.222 -0.141 19553 194 1 1 . 1 1 112 112 CYS C C 112 178.268 178.268 174.616 3.652 19553 195 1 1 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.057 -0.815 19553 196 1 1 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.686 16.269 19553 197 1 1 . 1 1 112 112 CYS H H 112 8.517 8.517 8.334 0.183 19553 198 1 1 . 1 1 113 113 SER N N 113 120.988 120.988 120.074 0.914 19553 199 1 1 . 1 1 113 113 SER HA H 113 4.996 4.996 4.764 0.232 19553 200 1 1 . 1 1 113 113 SER C C 113 182.750 182.750 172.919 9.831 19553 201 1 1 . 1 1 113 113 SER CA C 113 57.517 57.517 57.016 0.501 19553 202 1 1 . 1 1 113 113 SER CB C 113 65.528 65.528 66.962 -1.434 19553 203 1 1 . 1 1 113 113 SER H H 113 9.361 9.361 9.411 -0.050 19553 204 1 1 . 1 1 114 114 LYS N N 114 123.657 123.657 124.488 -0.831 19553 205 1 1 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.599 0.005 19553 206 1 1 . 1 1 114 114 LYS C C 114 176.524 176.524 176.705 -0.181 19553 207 1 1 . 1 1 114 114 LYS CA C 114 54.862 54.862 55.084 -0.222 19553 208 1 1 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.420 0.963 19553 209 1 1 . 1 1 114 114 LYS H H 114 8.899 8.899 8.610 0.289 19553 210 1 1 . 1 1 115 115 SER N N 115 119.515 119.515 124.328 -4.813 19553 211 1 1 . 1 1 115 115 SER HA H 115 4.589 4.589 4.741 -0.152 19553 212 1 1 . 1 1 115 115 SER C C 115 178.064 178.064 174.325 3.739 19553 213 1 1 . 1 1 115 115 SER CA C 115 56.468 56.468 57.195 -0.727 19553 214 1 1 . 1 1 115 115 SER CB C 115 63.236 63.236 63.108 0.127 19553 215 1 1 . 1 1 115 115 SER H H 115 8.560 8.560 9.018 -0.458 19553 216 1 1 . 1 1 116 116 GLY N N 116 118.606 118.606 115.003 3.603 19553 217 1 1 . 1 1 116 116 GLY C C 116 178.577 178.577 174.936 3.641 19553 218 1 1 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.667 0.280 19553 219 1 1 . 1 1 116 116 GLY H H 116 9.067 9.067 8.528 0.539 19553 220 1 1 . 1 1 117 117 SER N N 117 121.443 121.443 119.229 2.214 19553 221 1 1 . 1 1 117 117 SER HA H 117 4.310 4.310 4.711 -0.401 19553 222 1 1 . 1 1 117 117 SER C C 117 180.107 180.107 173.260 6.847 19553 223 1 1 . 1 1 117 117 SER CA C 117 58.416 58.416 57.688 0.728 19553 224 1 1 . 1 1 117 117 SER CB C 117 63.758 63.758 64.011 -0.253 19553 225 1 1 . 1 1 117 117 SER H H 117 8.908 8.908 8.307 0.601 19553 226 1 1 . 1 1 118 118 LEU N N 118 123.028 123.028 123.243 -0.215 19553 227 1 1 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.774 -0.188 19553 228 1 1 . 1 1 118 118 LEU C C 118 177.894 177.894 174.846 3.048 19553 229 1 1 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.134 -0.017 19553 230 1 1 . 1 1 118 118 LEU CB C 118 44.230 44.230 45.074 -0.844 19553 231 1 1 . 1 1 118 118 LEU H H 118 7.763 7.763 7.570 0.193 19553 232 1 1 . 1 1 119 119 TRP N N 119 120.523 120.523 124.181 -3.658 19553 233 1 1 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.213 0.005 19553 234 1 1 . 1 1 119 119 TRP C C 119 177.735 177.735 175.934 1.801 19553 235 1 1 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.644 -0.203 19553 236 1 1 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.709 1.472 19553 237 1 1 . 1 1 119 119 TRP H H 119 8.102 8.102 8.358 -0.256 19553 238 1 1 . 1 1 120 120 TYR N N 120 119.365 119.365 123.499 -4.134 19553 239 1 1 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.815 0.040 19553 240 1 1 . 1 1 120 120 TYR C C 120 179.683 179.683 174.514 5.169 19553 241 1 1 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.468 -1.041 19553 242 1 1 . 1 1 120 120 TYR CB C 120 40.788 40.788 41.261 -0.474 19553 243 1 1 . 1 1 120 120 TYR H H 120 9.495 9.495 9.507 -0.012 19553 244 1 1 . 1 1 121 121 ILE N N 121 111.471 111.471 119.089 -7.618 19553 245 1 1 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.567 0.128 19553 246 1 1 . 1 1 121 121 ILE C C 121 177.137 177.137 175.292 1.845 19553 247 1 1 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.579 -0.313 19553 248 1 1 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.973 1.218 19553 249 1 1 . 1 1 121 121 ILE H H 121 8.338 8.338 8.458 -0.120 19553 250 1 1 . 1 1 122 122 THR N N 122 116.120 116.120 120.021 -3.901 19553 251 1 1 . 1 1 122 122 THR HA H 122 4.493 4.493 4.500 -0.007 19553 252 1 1 . 1 1 122 122 THR C C 122 180.251 180.251 172.324 7.927 19553 253 1 1 . 1 1 122 122 THR CA C 122 61.437 61.437 61.809 -0.372 19553 254 1 1 . 1 1 122 122 THR CB C 122 71.892 71.892 70.922 0.969 19553 255 1 1 . 1 1 122 122 THR H H 122 7.796 7.796 8.591 -0.795 19553 256 1 1 . 1 1 123 123 VAL N N 123 128.072 128.072 127.975 0.097 19553 257 1 1 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.486 -0.214 19553 258 1 1 . 1 1 123 123 VAL C C 123 178.576 178.576 174.683 3.893 19553 259 1 1 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.283 1.675 19553 260 1 1 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.530 -0.498 19553 261 1 1 . 1 1 123 123 VAL H H 123 9.009 9.009 8.564 0.445 19553 262 1 1 . 1 1 124 124 MET N N 124 127.234 127.234 128.640 -1.406 19553 263 1 1 . 1 1 124 124 MET HA H 124 5.053 5.053 4.927 0.126 19553 264 1 1 . 1 1 124 124 MET CA C 124 50.145 50.145 51.375 -1.230 19553 265 1 1 . 1 1 124 124 MET CB C 124 33.625 33.625 33.824 -0.199 19553 266 1 1 . 1 1 124 124 MET H H 124 8.799 8.799 8.627 0.172 19553 267 1 1 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.513 0.378 19553 268 1 1 . 1 1 125 125 PRO C C 125 174.594 174.594 175.918 -1.324 19553 269 1 1 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.149 -0.585 19553 270 1 1 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.216 -0.906 19553 271 1 1 . 1 1 126 126 CYS N N 126 119.444 119.444 121.920 -2.476 19553 272 1 1 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.756 0.375 19553 273 1 1 . 1 1 126 126 CYS C C 126 177.425 177.425 175.305 2.120 19553 274 1 1 . 1 1 126 126 CYS CA C 126 53.556 53.556 56.895 -3.339 19553 275 1 1 . 1 1 126 126 CYS CB C 126 38.277 38.277 29.399 8.878 19553 276 1 1 . 1 1 126 126 CYS H H 126 8.355 8.355 8.605 -0.250 19553 277 1 1 . 1 1 127 127 SER N N 127 117.888 117.888 116.478 1.410 19553 278 1 1 . 1 1 127 127 SER HA H 127 4.382 4.382 4.516 -0.134 19553 279 1 1 . 1 1 127 127 SER C C 127 178.499 178.499 174.248 4.251 19553 280 1 1 . 1 1 127 127 SER CA C 127 59.179 59.179 59.128 0.051 19553 281 1 1 . 1 1 127 127 SER CB C 127 63.503 63.503 63.780 -0.277 19553 282 1 1 . 1 1 127 127 SER H H 127 8.255 8.255 8.636 -0.381 19553 283 1 1 . 1 1 128 128 ILE N N 128 125.176 125.176 122.265 2.911 19553 284 1 1 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.994 -0.006 19553 285 1 1 . 1 1 128 128 ILE C C 128 176.825 176.825 177.716 -0.891 19553 286 1 1 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.140 0.167 19553 287 1 1 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.870 -0.245 19553 288 1 1 . 1 1 128 128 ILE H H 128 8.727 8.727 8.626 0.101 19553 289 1 1 . 1 1 129 129 GLY N N 129 114.581 114.581 115.900 -1.319 19553 290 1 1 . 1 1 129 129 GLY C C 129 178.928 178.928 174.062 4.866 19553 291 1 1 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.004 -0.120 19553 292 1 1 . 1 1 129 129 GLY H H 129 8.888 8.888 8.669 0.219 19553 293 1 1 . 1 1 130 130 THR N N 130 110.279 110.279 114.252 -3.973 19553 294 1 1 . 1 1 130 130 THR HA H 130 5.294 5.294 5.249 0.045 19553 295 1 1 . 1 1 130 130 THR C C 130 180.377 180.377 173.187 7.190 19553 296 1 1 . 1 1 130 130 THR CA C 130 60.262 60.262 60.481 -0.219 19553 297 1 1 . 1 1 130 130 THR CB C 130 72.701 72.701 72.051 0.650 19553 298 1 1 . 1 1 130 130 THR H H 130 8.132 8.132 7.767 0.365 19553 299 1 1 . 1 1 131 131 LYS N N 131 117.394 117.394 118.405 -1.011 19553 300 1 1 . 1 1 131 131 LYS HA H 131 4.829 4.829 4.900 -0.071 19553 301 1 1 . 1 1 131 131 LYS C C 131 179.939 179.939 174.352 5.587 19553 302 1 1 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.463 -0.410 19553 303 1 1 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.080 -0.135 19553 304 1 1 . 1 1 131 131 LYS H H 131 9.579 9.579 9.001 0.578 19553 305 1 1 . 1 1 132 132 PHE N N 132 123.518 123.518 122.799 0.719 19553 306 1 1 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.904 -0.511 19553 307 1 1 . 1 1 132 132 PHE C C 132 178.908 178.908 175.565 3.343 19553 308 1 1 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.469 1.457 19553 309 1 1 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.683 -1.388 19553 310 1 1 . 1 1 132 132 PHE H H 132 9.347 9.347 8.698 0.649 19553 311 1 1 . 1 1 133 133 ASP N N 133 130.494 130.494 127.567 2.927 19553 312 1 1 . 1 1 133 133 ASP HA H 133 4.976 4.976 5.013 -0.037 19553 313 1 1 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.667 -0.816 19553 314 1 1 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.110 0.306 19553 315 1 1 . 1 1 133 133 ASP H H 133 8.091 8.091 8.483 -0.392 19553 316 1 1 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.565 -0.488 19553 317 1 1 . 1 1 134 134 PRO C C 134 176.646 176.646 177.158 -0.512 19553 318 1 1 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.946 -1.310 19553 319 1 1 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.202 0.598 19553 320 1 1 . 1 1 135 135 ILE N N 135 118.026 118.026 116.412 1.614 19553 321 1 1 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.023 -0.123 19553 322 1 1 . 1 1 135 135 ILE C C 135 175.842 175.842 177.264 -1.422 19553 323 1 1 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.044 1.346 19553 324 1 1 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.736 -1.820 19553 325 1 1 . 1 1 135 135 ILE H H 135 7.844 7.844 7.626 0.218 19553 326 1 1 . 1 1 136 136 SER N N 136 113.845 113.845 113.712 0.133 19553 327 1 1 . 1 1 136 136 SER HA H 136 4.144 4.144 4.255 -0.111 19553 328 1 1 . 1 1 136 136 SER C C 136 178.752 178.752 174.386 4.366 19553 329 1 1 . 1 1 136 136 SER CA C 136 59.461 59.461 59.945 -0.484 19553 330 1 1 . 1 1 136 136 SER CB C 136 63.840 63.840 63.855 -0.015 19553 331 1 1 . 1 1 136 136 SER H H 136 7.779 7.779 9.011 -1.232 19553 332 1 1 . 1 1 137 137 ARG N N 137 116.720 116.720 116.047 0.673 19553 333 1 1 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.869 -0.638 19553 334 1 1 . 1 1 137 137 ARG C C 137 180.002 180.002 174.029 5.973 19553 335 1 1 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.767 0.343 19553 336 1 1 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.234 -1.031 19553 337 1 1 . 1 1 137 137 ARG H H 137 7.935 7.935 7.882 0.053 19553 338 1 1 . 1 1 138 138 ASN N N 138 113.845 113.845 113.503 0.342 19553 339 1 1 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.559 0.142 19553 340 1 1 . 1 1 138 138 ASN C C 138 179.580 179.580 172.500 7.080 19553 341 1 1 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.271 -0.459 19553 342 1 1 . 1 1 138 138 ASN CB C 138 41.745 41.745 41.067 0.678 19553 343 1 1 . 1 1 138 138 ASN H H 138 6.857 6.857 7.021 -0.164 19553 344 1 1 . 1 1 139 139 CYS N N 139 120.168 120.168 119.405 0.763 19553 345 1 1 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.284 -0.064 19553 346 1 1 . 1 1 139 139 CYS C C 139 178.616 178.616 175.437 3.179 19553 347 1 1 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.005 -1.817 19553 348 1 1 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.276 13.532 19553 349 1 1 . 1 1 139 139 CYS H H 139 8.519 8.519 8.465 0.054 19553 350 1 1 . 1 1 140 140 VAL N N 140 119.928 119.928 120.581 -0.653 19553 351 1 1 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.624 0.043 19553 352 1 1 . 1 1 140 140 VAL C C 140 178.299 178.299 174.413 3.886 19553 353 1 1 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.877 -0.739 19553 354 1 1 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.164 1.238 19553 355 1 1 . 1 1 140 140 VAL H H 140 9.531 9.531 9.227 0.304 19553 356 1 1 . 1 1 141 141 LEU N N 141 121.749 121.749 123.950 -2.201 19553 357 1 1 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.336 -0.327 19553 358 1 1 . 1 1 141 141 LEU C C 141 176.847 176.847 175.711 1.136 19553 359 1 1 . 1 1 141 141 LEU CA C 141 56.842 56.842 54.944 1.898 19553 360 1 1 . 1 1 141 141 LEU CB C 141 42.202 42.202 42.006 0.196 19553 361 1 1 . 1 1 141 141 LEU H H 141 8.363 8.363 8.535 -0.172 19553 362 1 1 . 1 1 142 142 ASP N N 142 123.416 123.416 128.793 -5.377 19553 363 1 1 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.548 0.079 19553 364 1 1 . 1 1 142 142 ASP C C 142 179.175 179.175 174.809 4.366 19553 365 1 1 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.935 -1.891 19553 366 1 1 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.071 -0.330 19553 367 1 1 . 1 1 142 142 ASP H H 142 8.271 8.271 8.244 0.027 19553 368 1 2 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.480 0.041 19553 369 1 2 . 1 1 76 76 PRO C C 76 176.427 176.427 176.128 0.299 19553 370 1 2 . 1 1 76 76 PRO CA C 76 63.057 63.057 63.173 -0.116 19553 371 1 2 . 1 1 76 76 PRO CB C 76 32.361 32.361 31.374 0.987 19553 372 1 2 . 1 1 77 77 LEU N N 77 122.647 122.647 124.834 -2.187 19553 373 1 2 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.441 -0.012 19553 374 1 2 . 1 1 77 77 LEU C C 77 175.532 175.532 177.393 -1.861 19553 375 1 2 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.123 1.527 19553 376 1 2 . 1 1 77 77 LEU CB C 77 42.341 42.341 43.374 -1.033 19553 377 1 2 . 1 1 77 77 LEU H H 77 8.571 8.571 7.936 0.635 19553 378 1 2 . 1 1 78 78 GLY N N 78 110.072 110.072 106.213 3.859 19553 379 1 2 . 1 1 78 78 GLY C C 78 179.395 179.395 175.856 3.539 19553 380 1 2 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.776 -0.506 19553 381 1 2 . 1 1 78 78 GLY H H 78 8.483 8.483 8.740 -0.257 19553 382 1 2 . 1 1 79 79 SER N N 79 115.122 115.122 115.052 0.070 19553 383 1 2 . 1 1 79 79 SER HA H 79 4.549 4.549 4.190 0.359 19553 384 1 2 . 1 1 79 79 SER C C 79 179.859 179.859 174.086 5.773 19553 385 1 2 . 1 1 79 79 SER CA C 79 58.151 58.151 60.503 -2.352 19553 386 1 2 . 1 1 79 79 SER CB C 79 64.330 64.330 63.803 0.527 19553 387 1 2 . 1 1 79 79 SER H H 79 8.151 8.151 8.268 -0.117 19553 388 1 2 . 1 1 80 80 ASP N N 80 122.779 122.779 119.111 3.668 19553 389 1 2 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.151 -0.398 19553 390 1 2 . 1 1 80 80 ASP C C 80 178.137 178.137 174.357 3.780 19553 391 1 2 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.907 0.121 19553 392 1 2 . 1 1 80 80 ASP CB C 80 41.202 41.202 42.510 -1.308 19553 393 1 2 . 1 1 80 80 ASP H H 80 8.294 8.294 7.620 0.674 19553 394 1 2 . 1 1 81 81 LEU N N 81 125.106 125.106 127.208 -2.102 19553 395 1 2 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.789 -0.306 19553 396 1 2 . 1 1 81 81 LEU C C 81 178.326 178.326 174.901 3.425 19553 397 1 2 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.510 0.600 19553 398 1 2 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.983 -3.893 19553 399 1 2 . 1 1 81 81 LEU H H 81 8.532 8.532 8.755 -0.223 19553 400 1 2 . 1 1 82 82 ILE N N 82 120.036 120.036 125.500 -5.464 19553 401 1 2 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.854 -0.034 19553 402 1 2 . 1 1 82 82 ILE C C 82 177.782 177.782 175.548 2.234 19553 403 1 2 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.133 -0.959 19553 404 1 2 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.345 1.574 19553 405 1 2 . 1 1 82 82 ILE H H 82 7.848 7.848 8.294 -0.446 19553 406 1 2 . 1 1 83 83 VAL N N 83 119.733 119.733 120.517 -0.784 19553 407 1 2 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.729 -0.299 19553 408 1 2 . 1 1 83 83 VAL C C 83 179.809 179.809 174.210 5.599 19553 409 1 2 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.458 -0.005 19553 410 1 2 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.701 -0.548 19553 411 1 2 . 1 1 83 83 VAL H H 83 8.511 8.511 9.009 -0.498 19553 412 1 2 . 1 1 84 84 HIS N N 84 122.907 122.907 121.740 1.167 19553 413 1 2 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.145 0.415 19553 414 1 2 . 1 1 84 84 HIS C C 84 178.593 178.593 174.866 3.727 19553 415 1 2 . 1 1 84 84 HIS CA C 84 54.577 54.577 56.164 -1.587 19553 416 1 2 . 1 1 84 84 HIS CB C 84 30.967 30.967 30.046 0.921 19553 417 1 2 . 1 1 84 84 HIS H H 84 8.908 8.908 8.681 0.227 19553 418 1 2 . 1 1 85 85 GLU N N 85 124.766 124.766 125.763 -0.997 19553 419 1 2 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.538 0.228 19553 420 1 2 . 1 1 85 85 GLU C C 85 176.641 176.641 176.495 0.146 19553 421 1 2 . 1 1 85 85 GLU CA C 85 56.372 56.372 55.605 0.767 19553 422 1 2 . 1 1 85 85 GLU CB C 85 32.921 32.921 31.232 1.690 19553 423 1 2 . 1 1 85 85 GLU H H 85 8.979 8.979 9.165 -0.186 19553 424 1 2 . 1 1 86 86 GLY N N 86 119.987 119.987 114.649 5.338 19553 425 1 2 . 1 1 86 86 GLY C C 86 178.249 178.249 174.944 3.305 19553 426 1 2 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.847 1.429 19553 427 1 2 . 1 1 86 86 GLY H H 86 9.540 9.540 9.222 0.318 19553 428 1 2 . 1 1 87 87 GLY N N 87 108.242 108.242 105.773 2.469 19553 429 1 2 . 1 1 87 87 GLY C C 87 179.578 179.578 174.850 4.728 19553 430 1 2 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.098 -0.157 19553 431 1 2 . 1 1 87 87 GLY H H 87 8.920 8.920 8.631 0.289 19553 432 1 2 . 1 1 88 88 LYS N N 88 121.010 121.010 122.772 -1.762 19553 433 1 2 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.548 0.070 19553 434 1 2 . 1 1 88 88 LYS C C 88 178.241 178.241 175.914 2.327 19553 435 1 2 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.346 0.571 19553 436 1 2 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.355 1.797 19553 437 1 2 . 1 1 88 88 LYS H H 88 7.858 7.858 7.661 0.197 19553 438 1 2 . 1 1 89 89 THR N N 89 117.172 117.172 115.917 1.255 19553 439 1 2 . 1 1 89 89 THR HA H 89 4.691 4.691 5.053 -0.362 19553 440 1 2 . 1 1 89 89 THR C C 89 180.192 180.192 174.284 5.908 19553 441 1 2 . 1 1 89 89 THR CA C 89 61.646 61.646 62.085 -0.439 19553 442 1 2 . 1 1 89 89 THR CB C 89 70.339 70.339 68.842 1.497 19553 443 1 2 . 1 1 89 89 THR H H 89 8.230 8.230 8.294 -0.064 19553 444 1 2 . 1 1 90 90 TYR N N 90 123.521 123.521 125.475 -1.954 19553 445 1 2 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.846 -0.167 19553 446 1 2 . 1 1 90 90 TYR C C 90 179.282 179.282 175.168 4.114 19553 447 1 2 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.814 -0.407 19553 448 1 2 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.903 -1.931 19553 449 1 2 . 1 1 90 90 TYR H H 90 8.927 8.927 9.030 -0.103 19553 450 1 2 . 1 1 91 91 HIS N N 91 120.999 120.999 121.143 -0.144 19553 451 1 2 . 1 1 91 91 HIS HA H 91 5.086 5.086 4.954 0.132 19553 452 1 2 . 1 1 91 91 HIS C C 91 178.719 178.719 174.983 3.736 19553 453 1 2 . 1 1 91 91 HIS CA C 91 54.983 54.983 56.304 -1.321 19553 454 1 2 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.747 -2.255 19553 455 1 2 . 1 1 91 91 HIS H H 91 8.987 8.987 8.753 0.234 19553 456 1 2 . 1 1 92 92 VAL N N 92 120.849 120.849 124.203 -3.354 19553 457 1 2 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.214 0.186 19553 458 1 2 . 1 1 92 92 VAL C C 92 180.110 180.110 174.187 5.923 19553 459 1 2 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.684 -1.524 19553 460 1 2 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.169 1.374 19553 461 1 2 . 1 1 92 92 VAL H H 92 8.677 8.677 9.062 -0.385 19553 462 1 2 . 1 1 93 93 VAL N N 93 121.626 121.626 126.145 -4.519 19553 463 1 2 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.592 -0.411 19553 464 1 2 . 1 1 93 93 VAL C C 93 178.555 178.555 175.347 3.208 19553 465 1 2 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.587 -0.040 19553 466 1 2 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.739 -0.463 19553 467 1 2 . 1 1 93 93 VAL H H 93 7.997 7.997 8.343 -0.346 19553 468 1 2 . 1 1 94 94 CYS N N 94 123.035 123.035 126.117 -3.082 19553 469 1 2 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.648 -0.255 19553 470 1 2 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.144 -4.653 19553 471 1 2 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.873 14.618 19553 472 1 2 . 1 1 94 94 CYS H H 94 7.890 7.890 8.802 -0.912 19553 473 1 2 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.341 0.092 19553 474 1 2 . 1 1 95 95 HIS C C 95 179.991 179.991 174.068 5.923 19553 475 1 2 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.833 -1.422 19553 476 1 2 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.594 0.681 19553 477 1 2 . 1 1 96 96 GLU N N 96 117.019 117.019 118.520 -1.501 19553 478 1 2 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.665 0.176 19553 479 1 2 . 1 1 96 96 GLU C C 96 178.360 178.360 174.617 3.743 19553 480 1 2 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.365 -0.925 19553 481 1 2 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.407 0.098 19553 482 1 2 . 1 1 96 96 GLU H H 96 7.623 7.623 7.771 -0.148 19553 483 1 2 . 1 1 97 97 GLU N N 97 121.779 121.779 121.108 0.671 19553 484 1 2 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.607 -0.164 19553 485 1 2 . 1 1 97 97 GLU C C 97 176.658 176.658 175.936 0.722 19553 486 1 2 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.686 1.246 19553 487 1 2 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.746 -0.095 19553 488 1 2 . 1 1 97 97 GLU H H 97 9.280 9.280 8.854 0.426 19553 489 1 2 . 1 1 98 98 GLY N N 98 109.900 109.900 110.991 -1.091 19553 490 1 2 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.298 -0.022 19553 491 1 2 . 1 1 98 98 GLY H H 98 8.745 8.745 8.304 0.441 19553 492 1 2 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.577 0.092 19553 493 1 2 . 1 1 99 99 PRO C C 99 176.795 176.795 175.916 0.879 19553 494 1 2 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.384 0.187 19553 495 1 2 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.979 0.708 19553 496 1 2 . 1 1 100 100 ILE N N 100 118.686 118.686 117.446 1.240 19553 497 1 2 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.165 -0.258 19553 498 1 2 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.201 2.005 19553 499 1 2 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.619 0.485 19553 500 1 2 . 1 1 100 100 ILE H H 100 9.748 9.748 8.909 0.839 19553 501 1 2 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.751 -0.620 19553 502 1 2 . 1 1 101 101 PRO C C 101 177.525 177.525 176.520 1.005 19553 503 1 2 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.823 0.260 19553 504 1 2 . 1 1 101 101 PRO CB C 101 31.670 31.670 33.042 -1.372 19553 505 1 2 . 1 1 102 102 HIS N N 102 123.222 123.222 119.706 3.516 19553 506 1 2 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.671 -0.083 19553 507 1 2 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.613 -2.049 19553 508 1 2 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.202 -0.332 19553 509 1 2 . 1 1 102 102 HIS H H 102 8.717 8.717 8.633 0.084 19553 510 1 2 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.290 -0.009 19553 511 1 2 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.170 -0.695 19553 512 1 2 . 1 1 103 103 PRO CB C 103 31.986 31.986 32.045 -0.059 19553 513 1 2 . 1 1 104 104 GLY N N 104 106.530 106.530 107.715 -1.185 19553 514 1 2 . 1 1 104 104 GLY C C 104 180.058 180.058 173.883 6.175 19553 515 1 2 . 1 1 104 104 GLY CA C 104 44.711 44.711 45.008 -0.297 19553 516 1 2 . 1 1 104 104 GLY H H 104 9.682 9.682 7.806 1.876 19553 517 1 2 . 1 1 105 105 ASN N N 105 118.099 118.099 119.701 -1.602 19553 518 1 2 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.846 -0.170 19553 519 1 2 . 1 1 105 105 ASN C C 105 178.082 178.082 176.247 1.835 19553 520 1 2 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.417 1.817 19553 521 1 2 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.783 -0.610 19553 522 1 2 . 1 1 105 105 ASN H H 105 6.870 6.870 7.758 -0.888 19553 523 1 2 . 1 1 106 106 VAL N N 106 123.752 123.752 120.470 3.282 19553 524 1 2 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.841 0.738 19553 525 1 2 . 1 1 106 106 VAL C C 106 178.463 178.463 176.615 1.848 19553 526 1 2 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.627 -1.314 19553 527 1 2 . 1 1 106 106 VAL CB C 106 31.612 31.612 30.654 0.958 19553 528 1 2 . 1 1 106 106 VAL H H 106 8.774 8.774 8.780 -0.006 19553 529 1 2 . 1 1 107 107 HIS N N 107 116.712 116.712 118.575 -1.863 19553 530 1 2 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.768 -0.178 19553 531 1 2 . 1 1 107 107 HIS C C 107 180.421 180.421 175.786 4.635 19553 532 1 2 . 1 1 107 107 HIS CA C 107 56.649 56.649 58.189 -1.540 19553 533 1 2 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.318 -1.564 19553 534 1 2 . 1 1 107 107 HIS H H 107 9.171 9.171 8.319 0.852 19553 535 1 2 . 1 1 108 108 LYS N N 108 119.379 119.379 117.256 2.123 19553 536 1 2 . 1 1 108 108 LYS HA H 108 5.118 5.118 5.058 0.060 19553 537 1 2 . 1 1 108 108 LYS C C 108 181.487 181.487 174.663 6.824 19553 538 1 2 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.110 -0.552 19553 539 1 2 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.772 2.577 19553 540 1 2 . 1 1 108 108 LYS H H 108 7.627 7.627 7.743 -0.116 19553 541 1 2 . 1 1 109 109 TYR N N 109 114.203 114.203 117.656 -3.453 19553 542 1 2 . 1 1 109 109 TYR HA H 109 4.577 4.577 5.048 -0.471 19553 543 1 2 . 1 1 109 109 TYR C C 109 181.588 181.588 172.729 8.859 19553 544 1 2 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.749 0.618 19553 545 1 2 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.158 -3.363 19553 546 1 2 . 1 1 109 109 TYR H H 109 9.006 9.006 9.190 -0.184 19553 547 1 2 . 1 1 110 110 ILE N N 110 119.840 119.840 118.945 0.895 19553 548 1 2 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.758 -0.073 19553 549 1 2 . 1 1 110 110 ILE C C 110 178.917 178.917 175.114 3.803 19553 550 1 2 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.229 0.011 19553 551 1 2 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.012 0.218 19553 552 1 2 . 1 1 110 110 ILE H H 110 8.764 8.764 9.179 -0.415 19553 553 1 2 . 1 1 111 111 ILE N N 111 124.346 124.346 127.342 -2.996 19553 554 1 2 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.404 -0.072 19553 555 1 2 . 1 1 111 111 ILE C C 111 175.896 175.896 175.140 0.756 19553 556 1 2 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.263 0.438 19553 557 1 2 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.084 1.429 19553 558 1 2 . 1 1 111 111 ILE H H 111 9.032 9.032 8.708 0.324 19553 559 1 2 . 1 1 112 112 CYS N N 112 128.772 128.772 128.552 0.220 19553 560 1 2 . 1 1 112 112 CYS HA H 112 5.081 5.081 5.127 -0.046 19553 561 1 2 . 1 1 112 112 CYS C C 112 178.268 178.268 174.962 3.306 19553 562 1 2 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.095 -0.853 19553 563 1 2 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.054 16.901 19553 564 1 2 . 1 1 112 112 CYS H H 112 8.517 8.517 8.543 -0.026 19553 565 1 2 . 1 1 113 113 SER N N 113 120.988 120.988 121.193 -0.205 19553 566 1 2 . 1 1 113 113 SER HA H 113 4.996 4.996 4.897 0.099 19553 567 1 2 . 1 1 113 113 SER C C 113 182.750 182.750 172.644 10.106 19553 568 1 2 . 1 1 113 113 SER CA C 113 57.517 57.517 57.877 -0.360 19553 569 1 2 . 1 1 113 113 SER CB C 113 65.528 65.528 65.819 -0.291 19553 570 1 2 . 1 1 113 113 SER H H 113 9.361 9.361 9.711 -0.350 19553 571 1 2 . 1 1 114 114 LYS N N 114 123.657 123.657 127.385 -3.728 19553 572 1 2 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.140 0.464 19553 573 1 2 . 1 1 114 114 LYS C C 114 176.524 176.524 175.939 0.585 19553 574 1 2 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.962 -0.100 19553 575 1 2 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.042 1.341 19553 576 1 2 . 1 1 114 114 LYS H H 114 8.899 8.899 9.393 -0.494 19553 577 1 2 . 1 1 115 115 SER N N 115 119.515 119.515 125.035 -5.520 19553 578 1 2 . 1 1 115 115 SER HA H 115 4.589 4.589 4.665 -0.076 19553 579 1 2 . 1 1 115 115 SER C C 115 178.064 178.064 174.626 3.438 19553 580 1 2 . 1 1 115 115 SER CA C 115 56.468 56.468 56.628 -0.160 19553 581 1 2 . 1 1 115 115 SER CB C 115 63.236 63.236 61.993 1.243 19553 582 1 2 . 1 1 115 115 SER H H 115 8.560 8.560 8.977 -0.417 19553 583 1 2 . 1 1 116 116 GLY N N 116 118.606 118.606 116.238 2.368 19553 584 1 2 . 1 1 116 116 GLY C C 116 178.577 178.577 174.745 3.832 19553 585 1 2 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.871 0.076 19553 586 1 2 . 1 1 116 116 GLY H H 116 9.067 9.067 8.108 0.959 19553 587 1 2 . 1 1 117 117 SER N N 117 121.443 121.443 118.687 2.756 19553 588 1 2 . 1 1 117 117 SER HA H 117 4.310 4.310 4.638 -0.328 19553 589 1 2 . 1 1 117 117 SER C C 117 180.107 180.107 173.347 6.760 19553 590 1 2 . 1 1 117 117 SER CA C 117 58.416 58.416 57.909 0.507 19553 591 1 2 . 1 1 117 117 SER CB C 117 63.758 63.758 64.356 -0.598 19553 592 1 2 . 1 1 117 117 SER H H 117 8.908 8.908 8.363 0.545 19553 593 1 2 . 1 1 118 118 LEU N N 118 123.028 123.028 123.530 -0.502 19553 594 1 2 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.700 -0.114 19553 595 1 2 . 1 1 118 118 LEU C C 118 177.894 177.894 174.493 3.401 19553 596 1 2 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.073 0.044 19553 597 1 2 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.903 -0.673 19553 598 1 2 . 1 1 118 118 LEU H H 118 7.763 7.763 7.719 0.044 19553 599 1 2 . 1 1 119 119 TRP N N 119 120.523 120.523 124.827 -4.304 19553 600 1 2 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.181 0.037 19553 601 1 2 . 1 1 119 119 TRP C C 119 177.735 177.735 175.966 1.769 19553 602 1 2 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.468 -0.027 19553 603 1 2 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.870 1.311 19553 604 1 2 . 1 1 119 119 TRP H H 119 8.102 8.102 8.544 -0.442 19553 605 1 2 . 1 1 120 120 TYR N N 120 119.365 119.365 123.924 -4.559 19553 606 1 2 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.812 0.043 19553 607 1 2 . 1 1 120 120 TYR C C 120 179.683 179.683 174.901 4.782 19553 608 1 2 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.795 -1.368 19553 609 1 2 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.933 -0.145 19553 610 1 2 . 1 1 120 120 TYR H H 120 9.495 9.495 9.495 -0.000 19553 611 1 2 . 1 1 121 121 ILE N N 121 111.471 111.471 118.684 -7.213 19553 612 1 2 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.538 0.157 19553 613 1 2 . 1 1 121 121 ILE C C 121 177.137 177.137 175.347 1.790 19553 614 1 2 . 1 1 121 121 ILE CA C 121 58.266 58.266 59.075 -0.809 19553 615 1 2 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.505 1.686 19553 616 1 2 . 1 1 121 121 ILE H H 121 8.338 8.338 8.651 -0.313 19553 617 1 2 . 1 1 122 122 THR N N 122 116.120 116.120 122.019 -5.899 19553 618 1 2 . 1 1 122 122 THR HA H 122 4.493 4.493 4.583 -0.090 19553 619 1 2 . 1 1 122 122 THR C C 122 180.251 180.251 172.756 7.495 19553 620 1 2 . 1 1 122 122 THR CA C 122 61.437 61.437 61.789 -0.352 19553 621 1 2 . 1 1 122 122 THR CB C 122 71.892 71.892 71.017 0.875 19553 622 1 2 . 1 1 122 122 THR H H 122 7.796 7.796 8.217 -0.421 19553 623 1 2 . 1 1 123 123 VAL N N 123 128.072 128.072 128.832 -0.760 19553 624 1 2 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.471 -0.199 19553 625 1 2 . 1 1 123 123 VAL C C 123 178.576 178.576 174.923 3.653 19553 626 1 2 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.362 1.596 19553 627 1 2 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.526 -0.494 19553 628 1 2 . 1 1 123 123 VAL H H 123 9.009 9.009 8.613 0.396 19553 629 1 2 . 1 1 124 124 MET N N 124 127.234 127.234 129.131 -1.897 19553 630 1 2 . 1 1 124 124 MET HA H 124 5.053 5.053 4.898 0.155 19553 631 1 2 . 1 1 124 124 MET CA C 124 50.145 50.145 51.160 -1.015 19553 632 1 2 . 1 1 124 124 MET CB C 124 33.625 33.625 33.401 0.224 19553 633 1 2 . 1 1 124 124 MET H H 124 8.799 8.799 8.549 0.250 19553 634 1 2 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.615 0.276 19553 635 1 2 . 1 1 125 125 PRO C C 125 174.594 174.594 176.127 -1.533 19553 636 1 2 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.424 -0.860 19553 637 1 2 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.153 -0.843 19553 638 1 2 . 1 1 126 126 CYS N N 126 119.444 119.444 123.690 -4.246 19553 639 1 2 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.742 0.389 19553 640 1 2 . 1 1 126 126 CYS C C 126 177.425 177.425 174.825 2.600 19553 641 1 2 . 1 1 126 126 CYS CA C 126 53.556 53.556 57.777 -4.221 19553 642 1 2 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.510 9.767 19553 643 1 2 . 1 1 126 126 CYS H H 126 8.355 8.355 8.970 -0.615 19553 644 1 2 . 1 1 127 127 SER N N 127 117.888 117.888 115.983 1.905 19553 645 1 2 . 1 1 127 127 SER HA H 127 4.382 4.382 4.412 -0.030 19553 646 1 2 . 1 1 127 127 SER C C 127 178.499 178.499 174.733 3.766 19553 647 1 2 . 1 1 127 127 SER CA C 127 59.179 59.179 58.899 0.280 19553 648 1 2 . 1 1 127 127 SER CB C 127 63.503 63.503 63.872 -0.369 19553 649 1 2 . 1 1 127 127 SER H H 127 8.255 8.255 8.494 -0.239 19553 650 1 2 . 1 1 128 128 ILE N N 128 125.176 125.176 126.500 -1.324 19553 651 1 2 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.819 0.169 19553 652 1 2 . 1 1 128 128 ILE C C 128 176.825 176.825 177.668 -0.843 19553 653 1 2 . 1 1 128 128 ILE CA C 128 63.307 63.307 62.916 0.391 19553 654 1 2 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.776 -0.152 19553 655 1 2 . 1 1 128 128 ILE H H 128 8.727 8.727 8.530 0.197 19553 656 1 2 . 1 1 129 129 GLY N N 129 114.581 114.581 115.305 -0.724 19553 657 1 2 . 1 1 129 129 GLY C C 129 178.928 178.928 174.477 4.451 19553 658 1 2 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.321 -0.437 19553 659 1 2 . 1 1 129 129 GLY H H 129 8.888 8.888 8.861 0.027 19553 660 1 2 . 1 1 130 130 THR N N 130 110.279 110.279 112.974 -2.695 19553 661 1 2 . 1 1 130 130 THR HA H 130 5.294 5.294 5.312 -0.018 19553 662 1 2 . 1 1 130 130 THR C C 130 180.377 180.377 173.039 7.338 19553 663 1 2 . 1 1 130 130 THR CA C 130 60.262 60.262 60.325 -0.063 19553 664 1 2 . 1 1 130 130 THR CB C 130 72.701 72.701 72.266 0.435 19553 665 1 2 . 1 1 130 130 THR H H 130 8.132 8.132 7.821 0.311 19553 666 1 2 . 1 1 131 131 LYS N N 131 117.394 117.394 118.158 -0.764 19553 667 1 2 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.052 -0.223 19553 668 1 2 . 1 1 131 131 LYS C C 131 179.939 179.939 174.371 5.568 19553 669 1 2 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.538 -0.485 19553 670 1 2 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.217 -0.272 19553 671 1 2 . 1 1 131 131 LYS H H 131 9.579 9.579 9.082 0.497 19553 672 1 2 . 1 1 132 132 PHE N N 132 123.518 123.518 123.655 -0.137 19553 673 1 2 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.859 -0.466 19553 674 1 2 . 1 1 132 132 PHE C C 132 178.908 178.908 174.716 4.192 19553 675 1 2 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.552 1.374 19553 676 1 2 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.837 -1.542 19553 677 1 2 . 1 1 132 132 PHE H H 132 9.347 9.347 9.007 0.340 19553 678 1 2 . 1 1 133 133 ASP N N 133 130.494 130.494 127.020 3.474 19553 679 1 2 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.976 -0.000 19553 680 1 2 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.912 -1.061 19553 681 1 2 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.544 -0.128 19553 682 1 2 . 1 1 133 133 ASP H H 133 8.091 8.091 8.308 -0.217 19553 683 1 2 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.485 -0.408 19553 684 1 2 . 1 1 134 134 PRO C C 134 176.646 176.646 178.401 -1.755 19553 685 1 2 . 1 1 134 134 PRO CA C 134 63.636 63.636 65.421 -1.786 19553 686 1 2 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.597 0.203 19553 687 1 2 . 1 1 135 135 ILE N N 135 118.026 118.026 118.576 -0.550 19553 688 1 2 . 1 1 135 135 ILE HA H 135 3.900 3.900 3.923 -0.023 19553 689 1 2 . 1 1 135 135 ILE C C 135 175.842 175.842 178.285 -2.443 19553 690 1 2 . 1 1 135 135 ILE CA C 135 63.390 63.390 63.030 0.360 19553 691 1 2 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.885 -1.969 19553 692 1 2 . 1 1 135 135 ILE H H 135 7.844 7.844 7.678 0.166 19553 693 1 2 . 1 1 136 136 SER N N 136 113.845 113.845 114.993 -1.148 19553 694 1 2 . 1 1 136 136 SER HA H 136 4.144 4.144 4.243 -0.099 19553 695 1 2 . 1 1 136 136 SER C C 136 178.752 178.752 174.308 4.444 19553 696 1 2 . 1 1 136 136 SER CA C 136 59.461 59.461 59.495 -0.034 19553 697 1 2 . 1 1 136 136 SER CB C 136 63.840 63.840 63.677 0.163 19553 698 1 2 . 1 1 136 136 SER H H 136 7.779 7.779 8.840 -1.061 19553 699 1 2 . 1 1 137 137 ARG N N 137 116.720 116.720 116.324 0.396 19553 700 1 2 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.725 -0.494 19553 701 1 2 . 1 1 137 137 ARG C C 137 180.002 180.002 173.895 6.107 19553 702 1 2 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.318 0.792 19553 703 1 2 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.709 -1.506 19553 704 1 2 . 1 1 137 137 ARG H H 137 7.935 7.935 7.675 0.260 19553 705 1 2 . 1 1 138 138 ASN N N 138 113.845 113.845 113.954 -0.109 19553 706 1 2 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.556 0.145 19553 707 1 2 . 1 1 138 138 ASN C C 138 179.580 179.580 172.584 6.996 19553 708 1 2 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.528 -0.716 19553 709 1 2 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.595 1.150 19553 710 1 2 . 1 1 138 138 ASN H H 138 6.857 6.857 7.069 -0.212 19553 711 1 2 . 1 1 139 139 CYS N N 139 120.168 120.168 118.746 1.422 19553 712 1 2 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.374 -0.154 19553 713 1 2 . 1 1 139 139 CYS C C 139 178.616 178.616 174.947 3.669 19553 714 1 2 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.050 -1.862 19553 715 1 2 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.496 13.312 19553 716 1 2 . 1 1 139 139 CYS H H 139 8.519 8.519 8.484 0.035 19553 717 1 2 . 1 1 140 140 VAL N N 140 119.928 119.928 121.434 -1.506 19553 718 1 2 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.649 0.018 19553 719 1 2 . 1 1 140 140 VAL C C 140 178.299 178.299 174.367 3.932 19553 720 1 2 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.575 -0.437 19553 721 1 2 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.294 1.108 19553 722 1 2 . 1 1 140 140 VAL H H 140 9.531 9.531 9.299 0.232 19553 723 1 2 . 1 1 141 141 LEU N N 141 121.749 121.749 123.268 -1.519 19553 724 1 2 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.210 -0.201 19553 725 1 2 . 1 1 141 141 LEU C C 141 176.847 176.847 176.036 0.811 19553 726 1 2 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.622 1.220 19553 727 1 2 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.944 0.258 19553 728 1 2 . 1 1 141 141 LEU H H 141 8.363 8.363 8.586 -0.223 19553 729 1 2 . 1 1 142 142 ASP N N 142 123.416 123.416 128.245 -4.829 19553 730 1 2 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.594 0.033 19553 731 1 2 . 1 1 142 142 ASP C C 142 179.175 179.175 175.222 3.953 19553 732 1 2 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.427 -1.383 19553 733 1 2 . 1 1 142 142 ASP CB C 142 40.741 40.741 40.954 -0.213 19553 734 1 2 . 1 1 142 142 ASP H H 142 8.271 8.271 8.585 -0.314 19553 735 1 3 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.458 0.063 19553 736 1 3 . 1 1 76 76 PRO C C 76 176.427 176.427 176.195 0.232 19553 737 1 3 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.640 0.417 19553 738 1 3 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.377 -0.016 19553 739 1 3 . 1 1 77 77 LEU N N 77 122.647 122.647 121.571 1.076 19553 740 1 3 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.334 0.095 19553 741 1 3 . 1 1 77 77 LEU C C 77 175.532 175.532 177.770 -2.238 19553 742 1 3 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.722 0.928 19553 743 1 3 . 1 1 77 77 LEU CB C 77 42.341 42.341 41.957 0.384 19553 744 1 3 . 1 1 77 77 LEU H H 77 8.571 8.571 8.100 0.471 19553 745 1 3 . 1 1 78 78 GLY N N 78 110.072 110.072 109.183 0.889 19553 746 1 3 . 1 1 78 78 GLY C C 78 179.395 179.395 174.318 5.077 19553 747 1 3 . 1 1 78 78 GLY CA C 78 45.270 45.270 44.864 0.406 19553 748 1 3 . 1 1 78 78 GLY H H 78 8.483 8.483 8.554 -0.071 19553 749 1 3 . 1 1 79 79 SER N N 79 115.122 115.122 114.987 0.135 19553 750 1 3 . 1 1 79 79 SER HA H 79 4.549 4.549 4.115 0.434 19553 751 1 3 . 1 1 79 79 SER C C 79 179.859 179.859 173.799 6.060 19553 752 1 3 . 1 1 79 79 SER CA C 79 58.151 58.151 59.288 -1.137 19553 753 1 3 . 1 1 79 79 SER CB C 79 64.330 64.330 63.498 0.832 19553 754 1 3 . 1 1 79 79 SER H H 79 8.151 8.151 8.066 0.085 19553 755 1 3 . 1 1 80 80 ASP N N 80 122.779 122.779 119.608 3.171 19553 756 1 3 . 1 1 80 80 ASP HA H 80 4.753 4.753 4.928 -0.175 19553 757 1 3 . 1 1 80 80 ASP C C 80 178.137 178.137 174.487 3.650 19553 758 1 3 . 1 1 80 80 ASP CA C 80 54.028 54.028 54.099 -0.071 19553 759 1 3 . 1 1 80 80 ASP CB C 80 41.202 41.202 41.989 -0.787 19553 760 1 3 . 1 1 80 80 ASP H H 80 8.294 8.294 7.638 0.656 19553 761 1 3 . 1 1 81 81 LEU N N 81 125.106 125.106 126.378 -1.272 19553 762 1 3 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.777 -0.294 19553 763 1 3 . 1 1 81 81 LEU C C 81 178.326 178.326 174.984 3.342 19553 764 1 3 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.523 0.587 19553 765 1 3 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.679 -3.589 19553 766 1 3 . 1 1 81 81 LEU H H 81 8.532 8.532 8.349 0.183 19553 767 1 3 . 1 1 82 82 ILE N N 82 120.036 120.036 125.454 -5.418 19553 768 1 3 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.762 0.058 19553 769 1 3 . 1 1 82 82 ILE C C 82 177.782 177.782 175.556 2.226 19553 770 1 3 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.356 -1.182 19553 771 1 3 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.058 1.861 19553 772 1 3 . 1 1 82 82 ILE H H 82 7.848 7.848 8.286 -0.438 19553 773 1 3 . 1 1 83 83 VAL N N 83 119.733 119.733 120.788 -1.055 19553 774 1 3 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.708 -0.278 19553 775 1 3 . 1 1 83 83 VAL C C 83 179.809 179.809 173.931 5.878 19553 776 1 3 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.328 0.125 19553 777 1 3 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.764 -0.611 19553 778 1 3 . 1 1 83 83 VAL H H 83 8.511 8.511 8.975 -0.464 19553 779 1 3 . 1 1 84 84 HIS N N 84 122.907 122.907 119.522 3.385 19553 780 1 3 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.722 -0.162 19553 781 1 3 . 1 1 84 84 HIS C C 84 178.593 178.593 175.027 3.566 19553 782 1 3 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.115 -0.539 19553 783 1 3 . 1 1 84 84 HIS CB C 84 30.967 30.967 32.276 -1.309 19553 784 1 3 . 1 1 84 84 HIS H H 84 8.908 8.908 8.509 0.399 19553 785 1 3 . 1 1 85 85 GLU N N 85 124.766 124.766 124.890 -0.124 19553 786 1 3 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.484 0.282 19553 787 1 3 . 1 1 85 85 GLU C C 85 176.641 176.641 176.910 -0.269 19553 788 1 3 . 1 1 85 85 GLU CA C 85 56.372 56.372 55.193 1.179 19553 789 1 3 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.962 2.959 19553 790 1 3 . 1 1 85 85 GLU H H 85 8.979 8.979 9.212 -0.233 19553 791 1 3 . 1 1 86 86 GLY N N 86 119.987 119.987 114.422 5.565 19553 792 1 3 . 1 1 86 86 GLY C C 86 178.249 178.249 174.481 3.768 19553 793 1 3 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.822 1.454 19553 794 1 3 . 1 1 86 86 GLY H H 86 9.540 9.540 9.011 0.529 19553 795 1 3 . 1 1 87 87 GLY N N 87 108.242 108.242 105.426 2.816 19553 796 1 3 . 1 1 87 87 GLY C C 87 179.578 179.578 175.227 4.351 19553 797 1 3 . 1 1 87 87 GLY CA C 87 44.941 44.941 44.989 -0.048 19553 798 1 3 . 1 1 87 87 GLY H H 87 8.920 8.920 8.410 0.510 19553 799 1 3 . 1 1 88 88 LYS N N 88 121.010 121.010 123.691 -2.681 19553 800 1 3 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.669 -0.051 19553 801 1 3 . 1 1 88 88 LYS C C 88 178.241 178.241 175.712 2.529 19553 802 1 3 . 1 1 88 88 LYS CA C 88 54.917 54.917 55.274 -0.357 19553 803 1 3 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.383 1.770 19553 804 1 3 . 1 1 88 88 LYS H H 88 7.858 7.858 7.846 0.012 19553 805 1 3 . 1 1 89 89 THR N N 89 117.172 117.172 114.571 2.601 19553 806 1 3 . 1 1 89 89 THR HA H 89 4.691 4.691 5.006 -0.315 19553 807 1 3 . 1 1 89 89 THR C C 89 180.192 180.192 174.306 5.886 19553 808 1 3 . 1 1 89 89 THR CA C 89 61.646 61.646 61.821 -0.175 19553 809 1 3 . 1 1 89 89 THR CB C 89 70.339 70.339 69.235 1.104 19553 810 1 3 . 1 1 89 89 THR H H 89 8.230 8.230 8.295 -0.065 19553 811 1 3 . 1 1 90 90 TYR N N 90 123.521 123.521 125.201 -1.680 19553 812 1 3 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.739 -0.060 19553 813 1 3 . 1 1 90 90 TYR C C 90 179.282 179.282 174.945 4.337 19553 814 1 3 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.410 -0.003 19553 815 1 3 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.654 -1.682 19553 816 1 3 . 1 1 90 90 TYR H H 90 8.927 8.927 9.057 -0.130 19553 817 1 3 . 1 1 91 91 HIS N N 91 120.999 120.999 120.040 0.959 19553 818 1 3 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.264 -0.178 19553 819 1 3 . 1 1 91 91 HIS C C 91 178.719 178.719 175.247 3.472 19553 820 1 3 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.302 -0.319 19553 821 1 3 . 1 1 91 91 HIS CB C 91 29.492 29.492 32.248 -2.756 19553 822 1 3 . 1 1 91 91 HIS H H 91 8.987 8.987 8.555 0.432 19553 823 1 3 . 1 1 92 92 VAL N N 92 120.849 120.849 123.367 -2.518 19553 824 1 3 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.225 0.175 19553 825 1 3 . 1 1 92 92 VAL C C 92 180.110 180.110 173.979 6.131 19553 826 1 3 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.631 -1.471 19553 827 1 3 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.359 1.184 19553 828 1 3 . 1 1 92 92 VAL H H 92 8.677 8.677 8.978 -0.301 19553 829 1 3 . 1 1 93 93 VAL N N 93 121.626 121.626 126.918 -5.292 19553 830 1 3 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.391 -0.210 19553 831 1 3 . 1 1 93 93 VAL C C 93 178.555 178.555 175.061 3.494 19553 832 1 3 . 1 1 93 93 VAL CA C 93 60.547 60.547 61.072 -0.525 19553 833 1 3 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.575 -0.300 19553 834 1 3 . 1 1 93 93 VAL H H 93 7.997 7.997 8.253 -0.256 19553 835 1 3 . 1 1 94 94 CYS N N 94 123.035 123.035 125.349 -2.314 19553 836 1 3 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.603 -0.210 19553 837 1 3 . 1 1 94 94 CYS CA C 94 53.491 53.491 57.913 -4.422 19553 838 1 3 . 1 1 94 94 CYS CB C 94 41.492 41.492 28.649 12.843 19553 839 1 3 . 1 1 94 94 CYS H H 94 7.890 7.890 8.382 -0.492 19553 840 1 3 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.419 0.014 19553 841 1 3 . 1 1 95 95 HIS C C 95 179.991 179.991 174.430 5.561 19553 842 1 3 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.200 -0.789 19553 843 1 3 . 1 1 95 95 HIS CB C 95 31.275 31.275 31.441 -0.166 19553 844 1 3 . 1 1 96 96 GLU N N 96 117.019 117.019 119.557 -2.538 19553 845 1 3 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.791 0.050 19553 846 1 3 . 1 1 96 96 GLU C C 96 178.360 178.360 175.418 2.942 19553 847 1 3 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.602 -1.162 19553 848 1 3 . 1 1 96 96 GLU CB C 96 32.505 32.505 31.822 0.683 19553 849 1 3 . 1 1 96 96 GLU H H 96 7.623 7.623 8.152 -0.529 19553 850 1 3 . 1 1 97 97 GLU N N 97 121.779 121.779 124.042 -2.263 19553 851 1 3 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.635 -0.192 19553 852 1 3 . 1 1 97 97 GLU C C 97 176.658 176.658 176.211 0.447 19553 853 1 3 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.801 1.131 19553 854 1 3 . 1 1 97 97 GLU CB C 97 30.651 30.651 29.191 1.460 19553 855 1 3 . 1 1 97 97 GLU H H 97 9.280 9.280 8.895 0.385 19553 856 1 3 . 1 1 98 98 GLY N N 98 109.900 109.900 111.598 -1.698 19553 857 1 3 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.646 -0.370 19553 858 1 3 . 1 1 98 98 GLY H H 98 8.745 8.745 7.895 0.850 19553 859 1 3 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.610 0.059 19553 860 1 3 . 1 1 99 99 PRO C C 99 176.795 176.795 176.176 0.619 19553 861 1 3 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.425 0.146 19553 862 1 3 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.594 1.093 19553 863 1 3 . 1 1 100 100 ILE N N 100 118.686 118.686 118.771 -0.085 19553 864 1 3 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.112 -0.205 19553 865 1 3 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.653 1.553 19553 866 1 3 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.462 0.642 19553 867 1 3 . 1 1 100 100 ILE H H 100 9.748 9.748 8.954 0.794 19553 868 1 3 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.652 -0.521 19553 869 1 3 . 1 1 101 101 PRO C C 101 177.525 177.525 176.478 1.047 19553 870 1 3 . 1 1 101 101 PRO CA C 101 63.083 63.083 63.063 0.020 19553 871 1 3 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.959 -1.289 19553 872 1 3 . 1 1 102 102 HIS N N 102 123.222 123.222 119.863 3.359 19553 873 1 3 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.729 -0.141 19553 874 1 3 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.333 -1.769 19553 875 1 3 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.336 -0.466 19553 876 1 3 . 1 1 102 102 HIS H H 102 8.717 8.717 8.696 0.021 19553 877 1 3 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.269 0.012 19553 878 1 3 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.516 -1.041 19553 879 1 3 . 1 1 103 103 PRO CB C 103 31.986 31.986 32.133 -0.147 19553 880 1 3 . 1 1 104 104 GLY N N 104 106.530 106.530 107.857 -1.327 19553 881 1 3 . 1 1 104 104 GLY C C 104 180.058 180.058 173.965 6.093 19553 882 1 3 . 1 1 104 104 GLY CA C 104 44.711 44.711 45.472 -0.761 19553 883 1 3 . 1 1 104 104 GLY H H 104 9.682 9.682 7.828 1.854 19553 884 1 3 . 1 1 105 105 ASN N N 105 118.099 118.099 118.481 -0.382 19553 885 1 3 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.829 -0.153 19553 886 1 3 . 1 1 105 105 ASN C C 105 178.082 178.082 175.704 2.378 19553 887 1 3 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.876 1.358 19553 888 1 3 . 1 1 105 105 ASN CB C 105 39.173 39.173 40.305 -1.132 19553 889 1 3 . 1 1 105 105 ASN H H 105 6.870 6.870 8.149 -1.279 19553 890 1 3 . 1 1 106 106 VAL N N 106 123.752 123.752 118.432 5.320 19553 891 1 3 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.860 0.719 19553 892 1 3 . 1 1 106 106 VAL C C 106 178.463 178.463 176.605 1.858 19553 893 1 3 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.348 -1.035 19553 894 1 3 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.741 -0.130 19553 895 1 3 . 1 1 106 106 VAL H H 106 8.774 8.774 8.660 0.114 19553 896 1 3 . 1 1 107 107 HIS N N 107 116.712 116.712 117.373 -0.661 19553 897 1 3 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.809 -0.219 19553 898 1 3 . 1 1 107 107 HIS C C 107 180.421 180.421 175.242 5.179 19553 899 1 3 . 1 1 107 107 HIS CA C 107 56.649 56.649 56.591 0.058 19553 900 1 3 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.133 -1.379 19553 901 1 3 . 1 1 107 107 HIS H H 107 9.171 9.171 8.310 0.861 19553 902 1 3 . 1 1 108 108 LYS N N 108 119.379 119.379 117.057 2.322 19553 903 1 3 . 1 1 108 108 LYS HA H 108 5.118 5.118 5.048 0.070 19553 904 1 3 . 1 1 108 108 LYS C C 108 181.487 181.487 174.611 6.876 19553 905 1 3 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.185 -0.627 19553 906 1 3 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.881 2.468 19553 907 1 3 . 1 1 108 108 LYS H H 108 7.627 7.627 7.764 -0.137 19553 908 1 3 . 1 1 109 109 TYR N N 109 114.203 114.203 117.358 -3.155 19553 909 1 3 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.932 -0.355 19553 910 1 3 . 1 1 109 109 TYR C C 109 181.588 181.588 172.811 8.777 19553 911 1 3 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.913 0.455 19553 912 1 3 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.096 -3.300 19553 913 1 3 . 1 1 109 109 TYR H H 109 9.006 9.006 9.138 -0.132 19553 914 1 3 . 1 1 110 110 ILE N N 110 119.840 119.840 117.821 2.019 19553 915 1 3 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.688 -0.003 19553 916 1 3 . 1 1 110 110 ILE C C 110 178.917 178.917 174.834 4.083 19553 917 1 3 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.444 -0.204 19553 918 1 3 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.945 -0.715 19553 919 1 3 . 1 1 110 110 ILE H H 110 8.764 8.764 9.081 -0.317 19553 920 1 3 . 1 1 111 111 ILE N N 111 124.346 124.346 126.144 -1.798 19553 921 1 3 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.498 -0.166 19553 922 1 3 . 1 1 111 111 ILE C C 111 175.896 175.896 175.183 0.713 19553 923 1 3 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.163 0.538 19553 924 1 3 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.157 1.356 19553 925 1 3 . 1 1 111 111 ILE H H 111 9.032 9.032 8.733 0.299 19553 926 1 3 . 1 1 112 112 CYS N N 112 128.772 128.772 129.221 -0.449 19553 927 1 3 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.944 0.137 19553 928 1 3 . 1 1 112 112 CYS C C 112 178.268 178.268 174.644 3.624 19553 929 1 3 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.409 -1.167 19553 930 1 3 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.178 16.777 19553 931 1 3 . 1 1 112 112 CYS H H 112 8.517 8.517 8.576 -0.059 19553 932 1 3 . 1 1 113 113 SER N N 113 120.988 120.988 120.576 0.412 19553 933 1 3 . 1 1 113 113 SER HA H 113 4.996 4.996 4.807 0.189 19553 934 1 3 . 1 1 113 113 SER C C 113 182.750 182.750 172.487 10.263 19553 935 1 3 . 1 1 113 113 SER CA C 113 57.517 57.517 57.234 0.283 19553 936 1 3 . 1 1 113 113 SER CB C 113 65.528 65.528 66.206 -0.678 19553 937 1 3 . 1 1 113 113 SER H H 113 9.361 9.361 9.354 0.007 19553 938 1 3 . 1 1 114 114 LYS N N 114 123.657 123.657 125.807 -2.150 19553 939 1 3 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.402 0.202 19553 940 1 3 . 1 1 114 114 LYS C C 114 176.524 176.524 176.063 0.461 19553 941 1 3 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.924 -0.062 19553 942 1 3 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.100 1.283 19553 943 1 3 . 1 1 114 114 LYS H H 114 8.899 8.899 8.564 0.335 19553 944 1 3 . 1 1 115 115 SER N N 115 119.515 119.515 124.319 -4.804 19553 945 1 3 . 1 1 115 115 SER HA H 115 4.589 4.589 4.533 0.056 19553 946 1 3 . 1 1 115 115 SER C C 115 178.064 178.064 175.129 2.935 19553 947 1 3 . 1 1 115 115 SER CA C 115 56.468 56.468 57.692 -1.224 19553 948 1 3 . 1 1 115 115 SER CB C 115 63.236 63.236 61.820 1.416 19553 949 1 3 . 1 1 115 115 SER H H 115 8.560 8.560 9.035 -0.475 19553 950 1 3 . 1 1 116 116 GLY N N 116 118.606 118.606 116.965 1.641 19553 951 1 3 . 1 1 116 116 GLY C C 116 178.577 178.577 174.758 3.819 19553 952 1 3 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.524 0.423 19553 953 1 3 . 1 1 116 116 GLY H H 116 9.067 9.067 8.223 0.844 19553 954 1 3 . 1 1 117 117 SER N N 117 121.443 121.443 119.079 2.364 19553 955 1 3 . 1 1 117 117 SER HA H 117 4.310 4.310 4.618 -0.308 19553 956 1 3 . 1 1 117 117 SER C C 117 180.107 180.107 173.632 6.475 19553 957 1 3 . 1 1 117 117 SER CA C 117 58.416 58.416 57.859 0.557 19553 958 1 3 . 1 1 117 117 SER CB C 117 63.758 63.758 64.301 -0.543 19553 959 1 3 . 1 1 117 117 SER H H 117 8.908 8.908 8.381 0.527 19553 960 1 3 . 1 1 118 118 LEU N N 118 123.028 123.028 123.363 -0.335 19553 961 1 3 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.720 -0.134 19553 962 1 3 . 1 1 118 118 LEU C C 118 177.894 177.894 174.085 3.809 19553 963 1 3 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.284 -0.167 19553 964 1 3 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.562 -0.332 19553 965 1 3 . 1 1 118 118 LEU H H 118 7.763 7.763 7.580 0.183 19553 966 1 3 . 1 1 119 119 TRP N N 119 120.523 120.523 125.182 -4.659 19553 967 1 3 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.044 0.174 19553 968 1 3 . 1 1 119 119 TRP C C 119 177.735 177.735 175.501 2.234 19553 969 1 3 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.608 -0.167 19553 970 1 3 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.393 1.788 19553 971 1 3 . 1 1 119 119 TRP H H 119 8.102 8.102 8.564 -0.462 19553 972 1 3 . 1 1 120 120 TYR N N 120 119.365 119.365 122.396 -3.031 19553 973 1 3 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.863 -0.008 19553 974 1 3 . 1 1 120 120 TYR C C 120 179.683 179.683 174.899 4.784 19553 975 1 3 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.382 -0.955 19553 976 1 3 . 1 1 120 120 TYR CB C 120 40.788 40.788 41.191 -0.403 19553 977 1 3 . 1 1 120 120 TYR H H 120 9.495 9.495 9.509 -0.014 19553 978 1 3 . 1 1 121 121 ILE N N 121 111.471 111.471 119.215 -7.744 19553 979 1 3 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.530 0.165 19553 980 1 3 . 1 1 121 121 ILE C C 121 177.137 177.137 175.212 1.925 19553 981 1 3 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.828 -0.562 19553 982 1 3 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.652 1.539 19553 983 1 3 . 1 1 121 121 ILE H H 121 8.338 8.338 8.466 -0.128 19553 984 1 3 . 1 1 122 122 THR N N 122 116.120 116.120 120.509 -4.389 19553 985 1 3 . 1 1 122 122 THR HA H 122 4.493 4.493 4.644 -0.151 19553 986 1 3 . 1 1 122 122 THR C C 122 180.251 180.251 172.767 7.484 19553 987 1 3 . 1 1 122 122 THR CA C 122 61.437 61.437 61.770 -0.333 19553 988 1 3 . 1 1 122 122 THR CB C 122 71.892 71.892 71.015 0.877 19553 989 1 3 . 1 1 122 122 THR H H 122 7.796 7.796 8.344 -0.548 19553 990 1 3 . 1 1 123 123 VAL N N 123 128.072 128.072 127.751 0.321 19553 991 1 3 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.549 -0.277 19553 992 1 3 . 1 1 123 123 VAL C C 123 178.576 178.576 174.766 3.810 19553 993 1 3 . 1 1 123 123 VAL CA C 123 62.958 62.958 60.727 2.231 19553 994 1 3 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.956 -0.924 19553 995 1 3 . 1 1 123 123 VAL H H 123 9.009 9.009 8.646 0.363 19553 996 1 3 . 1 1 124 124 MET N N 124 127.234 127.234 127.863 -0.629 19553 997 1 3 . 1 1 124 124 MET HA H 124 5.053 5.053 4.876 0.177 19553 998 1 3 . 1 1 124 124 MET CA C 124 50.145 50.145 51.387 -1.242 19553 999 1 3 . 1 1 124 124 MET CB C 124 33.625 33.625 35.387 -1.762 19553 1000 1 3 . 1 1 124 124 MET H H 124 8.799 8.799 8.700 0.099 19553 1001 1 3 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.701 0.190 19553 1002 1 3 . 1 1 125 125 PRO C C 125 174.594 174.594 176.189 -1.595 19553 1003 1 3 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.143 -0.579 19553 1004 1 3 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.359 -1.050 19553 1005 1 3 . 1 1 126 126 CYS N N 126 119.444 119.444 122.318 -2.874 19553 1006 1 3 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.604 0.527 19553 1007 1 3 . 1 1 126 126 CYS C C 126 177.425 177.425 175.436 1.989 19553 1008 1 3 . 1 1 126 126 CYS CA C 126 53.556 53.556 59.069 -5.513 19553 1009 1 3 . 1 1 126 126 CYS CB C 126 38.277 38.277 27.936 10.341 19553 1010 1 3 . 1 1 126 126 CYS H H 126 8.355 8.355 8.764 -0.409 19553 1011 1 3 . 1 1 127 127 SER N N 127 117.888 117.888 116.161 1.727 19553 1012 1 3 . 1 1 127 127 SER HA H 127 4.382 4.382 4.303 0.079 19553 1013 1 3 . 1 1 127 127 SER C C 127 178.499 178.499 174.358 4.141 19553 1014 1 3 . 1 1 127 127 SER CA C 127 59.179 59.179 58.040 1.139 19553 1015 1 3 . 1 1 127 127 SER CB C 127 63.503 63.503 63.423 0.080 19553 1016 1 3 . 1 1 127 127 SER H H 127 8.255 8.255 8.490 -0.235 19553 1017 1 3 . 1 1 128 128 ILE N N 128 125.176 125.176 123.547 1.629 19553 1018 1 3 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.849 0.139 19553 1019 1 3 . 1 1 128 128 ILE C C 128 176.825 176.825 177.443 -0.618 19553 1020 1 3 . 1 1 128 128 ILE CA C 128 63.307 63.307 62.785 0.522 19553 1021 1 3 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.440 0.185 19553 1022 1 3 . 1 1 128 128 ILE H H 128 8.727 8.727 8.430 0.297 19553 1023 1 3 . 1 1 129 129 GLY N N 129 114.581 114.581 115.080 -0.499 19553 1024 1 3 . 1 1 129 129 GLY C C 129 178.928 178.928 174.216 4.712 19553 1025 1 3 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.054 -0.170 19553 1026 1 3 . 1 1 129 129 GLY H H 129 8.888 8.888 8.414 0.474 19553 1027 1 3 . 1 1 130 130 THR N N 130 110.279 110.279 111.842 -1.563 19553 1028 1 3 . 1 1 130 130 THR HA H 130 5.294 5.294 5.274 0.020 19553 1029 1 3 . 1 1 130 130 THR C C 130 180.377 180.377 172.840 7.537 19553 1030 1 3 . 1 1 130 130 THR CA C 130 60.262 60.262 60.216 0.046 19553 1031 1 3 . 1 1 130 130 THR CB C 130 72.701 72.701 72.398 0.302 19553 1032 1 3 . 1 1 130 130 THR H H 130 8.132 8.132 7.681 0.451 19553 1033 1 3 . 1 1 131 131 LYS N N 131 117.394 117.394 118.221 -0.827 19553 1034 1 3 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.150 -0.321 19553 1035 1 3 . 1 1 131 131 LYS C C 131 179.939 179.939 174.553 5.386 19553 1036 1 3 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.582 -0.529 19553 1037 1 3 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.239 -0.294 19553 1038 1 3 . 1 1 131 131 LYS H H 131 9.579 9.579 9.115 0.464 19553 1039 1 3 . 1 1 132 132 PHE N N 132 123.518 123.518 123.992 -0.474 19553 1040 1 3 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.868 -0.475 19553 1041 1 3 . 1 1 132 132 PHE C C 132 178.908 178.908 175.627 3.281 19553 1042 1 3 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.567 1.359 19553 1043 1 3 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.319 -1.024 19553 1044 1 3 . 1 1 132 132 PHE H H 132 9.347 9.347 8.956 0.391 19553 1045 1 3 . 1 1 133 133 ASP N N 133 130.494 130.494 128.523 1.971 19553 1046 1 3 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.942 0.034 19553 1047 1 3 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.808 -0.957 19553 1048 1 3 . 1 1 133 133 ASP CB C 133 43.416 43.416 42.814 0.602 19553 1049 1 3 . 1 1 133 133 ASP H H 133 8.091 8.091 8.615 -0.524 19553 1050 1 3 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.532 -0.455 19553 1051 1 3 . 1 1 134 134 PRO C C 134 176.646 176.646 176.672 -0.026 19553 1052 1 3 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.950 -1.314 19553 1053 1 3 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.188 0.612 19553 1054 1 3 . 1 1 135 135 ILE N N 135 118.026 118.026 116.602 1.424 19553 1055 1 3 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.031 -0.131 19553 1056 1 3 . 1 1 135 135 ILE C C 135 175.842 175.842 177.872 -2.030 19553 1057 1 3 . 1 1 135 135 ILE CA C 135 63.390 63.390 61.851 1.539 19553 1058 1 3 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.562 -1.646 19553 1059 1 3 . 1 1 135 135 ILE H H 135 7.844 7.844 7.898 -0.054 19553 1060 1 3 . 1 1 136 136 SER N N 136 113.845 113.845 115.461 -1.616 19553 1061 1 3 . 1 1 136 136 SER HA H 136 4.144 4.144 4.286 -0.142 19553 1062 1 3 . 1 1 136 136 SER C C 136 178.752 178.752 174.118 4.634 19553 1063 1 3 . 1 1 136 136 SER CA C 136 59.461 59.461 59.635 -0.174 19553 1064 1 3 . 1 1 136 136 SER CB C 136 63.840 63.840 63.740 0.100 19553 1065 1 3 . 1 1 136 136 SER H H 136 7.779 7.779 9.075 -1.296 19553 1066 1 3 . 1 1 137 137 ARG N N 137 116.720 116.720 116.206 0.514 19553 1067 1 3 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.787 -0.556 19553 1068 1 3 . 1 1 137 137 ARG C C 137 180.002 180.002 174.103 5.899 19553 1069 1 3 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.586 0.524 19553 1070 1 3 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.360 -1.157 19553 1071 1 3 . 1 1 137 137 ARG H H 137 7.935 7.935 7.901 0.034 19553 1072 1 3 . 1 1 138 138 ASN N N 138 113.845 113.845 113.231 0.614 19553 1073 1 3 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.655 0.046 19553 1074 1 3 . 1 1 138 138 ASN C C 138 179.580 179.580 171.993 7.587 19553 1075 1 3 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.775 -0.963 19553 1076 1 3 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.463 1.282 19553 1077 1 3 . 1 1 138 138 ASN H H 138 6.857 6.857 6.981 -0.124 19553 1078 1 3 . 1 1 139 139 CYS N N 139 120.168 120.168 118.203 1.965 19553 1079 1 3 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.210 0.010 19553 1080 1 3 . 1 1 139 139 CYS C C 139 178.616 178.616 175.316 3.300 19553 1081 1 3 . 1 1 139 139 CYS CA C 139 56.188 56.188 57.894 -1.706 19553 1082 1 3 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.079 13.729 19553 1083 1 3 . 1 1 139 139 CYS H H 139 8.519 8.519 8.531 -0.012 19553 1084 1 3 . 1 1 140 140 VAL N N 140 119.928 119.928 120.019 -0.091 19553 1085 1 3 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.666 0.001 19553 1086 1 3 . 1 1 140 140 VAL C C 140 178.299 178.299 174.649 3.650 19553 1087 1 3 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.562 -0.424 19553 1088 1 3 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.330 1.073 19553 1089 1 3 . 1 1 140 140 VAL H H 140 9.531 9.531 9.239 0.292 19553 1090 1 3 . 1 1 141 141 LEU N N 141 121.749 121.749 122.591 -0.842 19553 1091 1 3 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.146 -0.137 19553 1092 1 3 . 1 1 141 141 LEU C C 141 176.847 176.847 175.993 0.854 19553 1093 1 3 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.449 1.393 19553 1094 1 3 . 1 1 141 141 LEU CB C 141 42.202 42.202 42.396 -0.194 19553 1095 1 3 . 1 1 141 141 LEU H H 141 8.363 8.363 8.573 -0.210 19553 1096 1 3 . 1 1 142 142 ASP N N 142 123.416 123.416 127.841 -4.425 19553 1097 1 3 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.715 -0.088 19553 1098 1 3 . 1 1 142 142 ASP C C 142 179.175 179.175 174.712 4.463 19553 1099 1 3 . 1 1 142 142 ASP CA C 142 53.044 53.044 53.718 -0.674 19553 1100 1 3 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.172 -0.430 19553 1101 1 3 . 1 1 142 142 ASP H H 142 8.271 8.271 8.360 -0.089 19553 1102 1 4 . 1 1 76 76 PRO HA H 76 4.521 4.521 5.144 -0.623 19553 1103 1 4 . 1 1 76 76 PRO C C 76 176.427 176.427 175.935 0.492 19553 1104 1 4 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.524 0.533 19553 1105 1 4 . 1 1 76 76 PRO CB C 76 32.361 32.361 30.944 1.417 19553 1106 1 4 . 1 1 77 77 LEU N N 77 122.647 122.647 119.698 2.949 19553 1107 1 4 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.755 -0.326 19553 1108 1 4 . 1 1 77 77 LEU C C 77 175.532 175.532 177.054 -1.522 19553 1109 1 4 . 1 1 77 77 LEU CA C 77 55.650 55.650 55.019 0.631 19553 1110 1 4 . 1 1 77 77 LEU CB C 77 42.341 42.341 43.420 -1.079 19553 1111 1 4 . 1 1 77 77 LEU H H 77 8.571 8.571 7.972 0.599 19553 1112 1 4 . 1 1 78 78 GLY N N 78 110.072 110.072 114.419 -4.347 19553 1113 1 4 . 1 1 78 78 GLY C C 78 179.395 179.395 174.956 4.439 19553 1114 1 4 . 1 1 78 78 GLY CA C 78 45.270 45.270 46.225 -0.955 19553 1115 1 4 . 1 1 78 78 GLY H H 78 8.483 8.483 8.962 -0.479 19553 1116 1 4 . 1 1 79 79 SER N N 79 115.122 115.122 118.107 -2.985 19553 1117 1 4 . 1 1 79 79 SER HA H 79 4.549 4.549 4.219 0.330 19553 1118 1 4 . 1 1 79 79 SER C C 79 179.859 179.859 173.132 6.727 19553 1119 1 4 . 1 1 79 79 SER CA C 79 58.151 58.151 60.824 -2.673 19553 1120 1 4 . 1 1 79 79 SER CB C 79 64.330 64.330 64.116 0.214 19553 1121 1 4 . 1 1 79 79 SER H H 79 8.151 8.151 8.276 -0.125 19553 1122 1 4 . 1 1 80 80 ASP N N 80 122.779 122.779 116.240 6.539 19553 1123 1 4 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.408 -0.655 19553 1124 1 4 . 1 1 80 80 ASP C C 80 178.137 178.137 173.902 4.235 19553 1125 1 4 . 1 1 80 80 ASP CA C 80 54.028 54.028 52.461 1.567 19553 1126 1 4 . 1 1 80 80 ASP CB C 80 41.202 41.202 44.428 -3.226 19553 1127 1 4 . 1 1 80 80 ASP H H 80 8.294 8.294 7.364 0.930 19553 1128 1 4 . 1 1 81 81 LEU N N 81 125.106 125.106 122.445 2.661 19553 1129 1 4 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.809 -0.326 19553 1130 1 4 . 1 1 81 81 LEU C C 81 178.326 178.326 175.072 3.254 19553 1131 1 4 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.561 0.549 19553 1132 1 4 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.549 -3.459 19553 1133 1 4 . 1 1 81 81 LEU H H 81 8.532 8.532 8.474 0.058 19553 1134 1 4 . 1 1 82 82 ILE N N 82 120.036 120.036 125.184 -5.148 19553 1135 1 4 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.777 0.043 19553 1136 1 4 . 1 1 82 82 ILE C C 82 177.782 177.782 175.526 2.256 19553 1137 1 4 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.208 -1.034 19553 1138 1 4 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.216 1.703 19553 1139 1 4 . 1 1 82 82 ILE H H 82 7.848 7.848 8.234 -0.386 19553 1140 1 4 . 1 1 83 83 VAL N N 83 119.733 119.733 120.807 -1.074 19553 1141 1 4 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.658 -0.228 19553 1142 1 4 . 1 1 83 83 VAL C C 83 179.809 179.809 174.002 5.807 19553 1143 1 4 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.568 -0.115 19553 1144 1 4 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.938 -0.785 19553 1145 1 4 . 1 1 83 83 VAL H H 83 8.511 8.511 8.994 -0.483 19553 1146 1 4 . 1 1 84 84 HIS N N 84 122.907 122.907 122.211 0.696 19553 1147 1 4 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.380 0.180 19553 1148 1 4 . 1 1 84 84 HIS C C 84 178.593 178.593 175.126 3.467 19553 1149 1 4 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.405 -0.828 19553 1150 1 4 . 1 1 84 84 HIS CB C 84 30.967 30.967 30.503 0.464 19553 1151 1 4 . 1 1 84 84 HIS H H 84 8.908 8.908 8.713 0.195 19553 1152 1 4 . 1 1 85 85 GLU N N 85 124.766 124.766 125.477 -0.711 19553 1153 1 4 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.506 0.260 19553 1154 1 4 . 1 1 85 85 GLU C C 85 176.641 176.641 177.227 -0.586 19553 1155 1 4 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.869 1.503 19553 1156 1 4 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.427 3.494 19553 1157 1 4 . 1 1 85 85 GLU H H 85 8.979 8.979 9.109 -0.130 19553 1158 1 4 . 1 1 86 86 GLY N N 86 119.987 119.987 114.589 5.398 19553 1159 1 4 . 1 1 86 86 GLY C C 86 178.249 178.249 175.041 3.208 19553 1160 1 4 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.584 1.692 19553 1161 1 4 . 1 1 86 86 GLY H H 86 9.540 9.540 9.012 0.528 19553 1162 1 4 . 1 1 87 87 GLY N N 87 108.242 108.242 105.156 3.086 19553 1163 1 4 . 1 1 87 87 GLY C C 87 179.578 179.578 175.061 4.517 19553 1164 1 4 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.206 -0.265 19553 1165 1 4 . 1 1 87 87 GLY H H 87 8.920 8.920 8.532 0.388 19553 1166 1 4 . 1 1 88 88 LYS N N 88 121.010 121.010 124.065 -3.055 19553 1167 1 4 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.546 0.072 19553 1168 1 4 . 1 1 88 88 LYS C C 88 178.241 178.241 175.788 2.453 19553 1169 1 4 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.916 0.001 19553 1170 1 4 . 1 1 88 88 LYS CB C 88 35.152 35.152 32.919 2.233 19553 1171 1 4 . 1 1 88 88 LYS H H 88 7.858 7.858 7.757 0.101 19553 1172 1 4 . 1 1 89 89 THR N N 89 117.172 117.172 117.773 -0.601 19553 1173 1 4 . 1 1 89 89 THR HA H 89 4.691 4.691 4.707 -0.016 19553 1174 1 4 . 1 1 89 89 THR C C 89 180.192 180.192 174.239 5.953 19553 1175 1 4 . 1 1 89 89 THR CA C 89 61.646 61.646 61.780 -0.134 19553 1176 1 4 . 1 1 89 89 THR CB C 89 70.339 70.339 68.066 2.273 19553 1177 1 4 . 1 1 89 89 THR H H 89 8.230 8.230 8.355 -0.125 19553 1178 1 4 . 1 1 90 90 TYR N N 90 123.521 123.521 126.036 -2.515 19553 1179 1 4 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.766 -0.087 19553 1180 1 4 . 1 1 90 90 TYR C C 90 179.282 179.282 174.821 4.461 19553 1181 1 4 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.789 -0.382 19553 1182 1 4 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.118 -1.146 19553 1183 1 4 . 1 1 90 90 TYR H H 90 8.927 8.927 9.107 -0.180 19553 1184 1 4 . 1 1 91 91 HIS N N 91 120.999 120.999 121.037 -0.038 19553 1185 1 4 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.049 0.037 19553 1186 1 4 . 1 1 91 91 HIS C C 91 178.719 178.719 174.680 4.039 19553 1187 1 4 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.556 -0.573 19553 1188 1 4 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.689 -2.197 19553 1189 1 4 . 1 1 91 91 HIS H H 91 8.987 8.987 8.701 0.286 19553 1190 1 4 . 1 1 92 92 VAL N N 92 120.849 120.849 124.413 -3.564 19553 1191 1 4 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.263 0.137 19553 1192 1 4 . 1 1 92 92 VAL C C 92 180.110 180.110 173.703 6.407 19553 1193 1 4 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.077 -0.917 19553 1194 1 4 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.015 1.528 19553 1195 1 4 . 1 1 92 92 VAL H H 92 8.677 8.677 8.992 -0.315 19553 1196 1 4 . 1 1 93 93 VAL N N 93 121.626 121.626 126.595 -4.969 19553 1197 1 4 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.712 -0.531 19553 1198 1 4 . 1 1 93 93 VAL C C 93 178.555 178.555 174.758 3.797 19553 1199 1 4 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.843 -0.296 19553 1200 1 4 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.829 -0.554 19553 1201 1 4 . 1 1 93 93 VAL H H 93 7.997 7.997 8.256 -0.259 19553 1202 1 4 . 1 1 94 94 CYS N N 94 123.035 123.035 126.147 -3.112 19553 1203 1 4 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.805 -0.412 19553 1204 1 4 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.336 -4.845 19553 1205 1 4 . 1 1 94 94 CYS CB C 94 41.492 41.492 29.160 12.332 19553 1206 1 4 . 1 1 94 94 CYS H H 94 7.890 7.890 8.449 -0.559 19553 1207 1 4 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.524 -0.091 19553 1208 1 4 . 1 1 95 95 HIS C C 95 179.991 179.991 174.324 5.667 19553 1209 1 4 . 1 1 95 95 HIS CA C 95 55.411 55.411 55.718 -0.307 19553 1210 1 4 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.416 0.859 19553 1211 1 4 . 1 1 96 96 GLU N N 96 117.019 117.019 119.556 -2.537 19553 1212 1 4 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.668 0.173 19553 1213 1 4 . 1 1 96 96 GLU C C 96 178.360 178.360 175.125 3.235 19553 1214 1 4 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.198 -0.758 19553 1215 1 4 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.528 -0.022 19553 1216 1 4 . 1 1 96 96 GLU H H 96 7.623 7.623 7.539 0.084 19553 1217 1 4 . 1 1 97 97 GLU N N 97 121.779 121.779 119.933 1.846 19553 1218 1 4 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.659 -0.216 19553 1219 1 4 . 1 1 97 97 GLU C C 97 176.658 176.658 175.889 0.769 19553 1220 1 4 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.238 1.694 19553 1221 1 4 . 1 1 97 97 GLU CB C 97 30.651 30.651 31.090 -0.439 19553 1222 1 4 . 1 1 97 97 GLU H H 97 9.280 9.280 8.716 0.564 19553 1223 1 4 . 1 1 98 98 GLY N N 98 109.900 109.900 108.324 1.576 19553 1224 1 4 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.284 -0.008 19553 1225 1 4 . 1 1 98 98 GLY H H 98 8.745 8.745 8.663 0.082 19553 1226 1 4 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.669 0.000 19553 1227 1 4 . 1 1 99 99 PRO C C 99 176.795 176.795 176.162 0.633 19553 1228 1 4 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.236 0.335 19553 1229 1 4 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.487 1.200 19553 1230 1 4 . 1 1 100 100 ILE N N 100 118.686 118.686 118.414 0.272 19553 1231 1 4 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.077 -0.170 19553 1232 1 4 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.527 1.679 19553 1233 1 4 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.928 0.176 19553 1234 1 4 . 1 1 100 100 ILE H H 100 9.748 9.748 9.061 0.687 19553 1235 1 4 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.613 -0.482 19553 1236 1 4 . 1 1 101 101 PRO C C 101 177.525 177.525 176.386 1.139 19553 1237 1 4 . 1 1 101 101 PRO CA C 101 63.083 63.083 63.052 0.031 19553 1238 1 4 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.867 -1.198 19553 1239 1 4 . 1 1 102 102 HIS N N 102 123.222 123.222 119.730 3.492 19553 1240 1 4 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.735 -0.147 19553 1241 1 4 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.260 -1.696 19553 1242 1 4 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.118 -0.248 19553 1243 1 4 . 1 1 102 102 HIS H H 102 8.717 8.717 8.726 -0.009 19553 1244 1 4 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.293 -0.012 19553 1245 1 4 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.232 -0.757 19553 1246 1 4 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.782 0.204 19553 1247 1 4 . 1 1 104 104 GLY N N 104 106.530 106.530 106.471 0.059 19553 1248 1 4 . 1 1 104 104 GLY C C 104 180.058 180.058 173.456 6.602 19553 1249 1 4 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.498 0.213 19553 1250 1 4 . 1 1 104 104 GLY H H 104 9.682 9.682 7.595 2.087 19553 1251 1 4 . 1 1 105 105 ASN N N 105 118.099 118.099 117.238 0.861 19553 1252 1 4 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.893 -0.217 19553 1253 1 4 . 1 1 105 105 ASN C C 105 178.082 178.082 175.255 2.827 19553 1254 1 4 . 1 1 105 105 ASN CA C 105 53.234 53.234 52.460 0.774 19553 1255 1 4 . 1 1 105 105 ASN CB C 105 39.173 39.173 38.875 0.298 19553 1256 1 4 . 1 1 105 105 ASN H H 105 6.870 6.870 7.772 -0.902 19553 1257 1 4 . 1 1 106 106 VAL N N 106 123.752 123.752 118.426 5.326 19553 1258 1 4 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.808 0.771 19553 1259 1 4 . 1 1 106 106 VAL C C 106 178.463 178.463 176.224 2.239 19553 1260 1 4 . 1 1 106 106 VAL CA C 106 63.313 63.313 65.017 -1.704 19553 1261 1 4 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.277 0.335 19553 1262 1 4 . 1 1 106 106 VAL H H 106 8.774 8.774 8.550 0.224 19553 1263 1 4 . 1 1 107 107 HIS N N 107 116.712 116.712 119.159 -2.447 19553 1264 1 4 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.965 -0.375 19553 1265 1 4 . 1 1 107 107 HIS C C 107 180.421 180.421 174.620 5.801 19553 1266 1 4 . 1 1 107 107 HIS CA C 107 56.649 56.649 56.676 -0.027 19553 1267 1 4 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.283 -1.529 19553 1268 1 4 . 1 1 107 107 HIS H H 107 9.171 9.171 8.476 0.695 19553 1269 1 4 . 1 1 108 108 LYS N N 108 119.379 119.379 116.937 2.442 19553 1270 1 4 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.728 0.390 19553 1271 1 4 . 1 1 108 108 LYS C C 108 181.487 181.487 174.620 6.867 19553 1272 1 4 . 1 1 108 108 LYS CA C 108 54.558 54.558 54.994 -0.436 19553 1273 1 4 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.984 2.365 19553 1274 1 4 . 1 1 108 108 LYS H H 108 7.627 7.627 7.729 -0.102 19553 1275 1 4 . 1 1 109 109 TYR N N 109 114.203 114.203 117.327 -3.124 19553 1276 1 4 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.938 -0.361 19553 1277 1 4 . 1 1 109 109 TYR C C 109 181.588 181.588 172.882 8.706 19553 1278 1 4 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.782 0.585 19553 1279 1 4 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.157 -3.362 19553 1280 1 4 . 1 1 109 109 TYR H H 109 9.006 9.006 9.140 -0.134 19553 1281 1 4 . 1 1 110 110 ILE N N 110 119.840 119.840 117.732 2.108 19553 1282 1 4 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.669 0.016 19553 1283 1 4 . 1 1 110 110 ILE C C 110 178.917 178.917 174.772 4.145 19553 1284 1 4 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.509 -0.269 19553 1285 1 4 . 1 1 110 110 ILE CB C 110 41.230 41.230 42.319 -1.089 19553 1286 1 4 . 1 1 110 110 ILE H H 110 8.764 8.764 8.999 -0.235 19553 1287 1 4 . 1 1 111 111 ILE N N 111 124.346 124.346 126.096 -1.750 19553 1288 1 4 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.454 -0.122 19553 1289 1 4 . 1 1 111 111 ILE C C 111 175.896 175.896 174.997 0.899 19553 1290 1 4 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.123 0.578 19553 1291 1 4 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.094 1.419 19553 1292 1 4 . 1 1 111 111 ILE H H 111 9.032 9.032 8.665 0.367 19553 1293 1 4 . 1 1 112 112 CYS N N 112 128.772 128.772 129.355 -0.583 19553 1294 1 4 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.964 0.117 19553 1295 1 4 . 1 1 112 112 CYS C C 112 178.268 178.268 174.398 3.870 19553 1296 1 4 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.381 -1.139 19553 1297 1 4 . 1 1 112 112 CYS CB C 112 43.955 43.955 28.125 15.830 19553 1298 1 4 . 1 1 112 112 CYS H H 112 8.517 8.517 8.579 -0.061 19553 1299 1 4 . 1 1 113 113 SER N N 113 120.988 120.988 120.590 0.398 19553 1300 1 4 . 1 1 113 113 SER HA H 113 4.996 4.996 5.009 -0.013 19553 1301 1 4 . 1 1 113 113 SER C C 113 182.750 182.750 172.684 10.066 19553 1302 1 4 . 1 1 113 113 SER CA C 113 57.517 57.517 57.351 0.166 19553 1303 1 4 . 1 1 113 113 SER CB C 113 65.528 65.528 66.775 -1.247 19553 1304 1 4 . 1 1 113 113 SER H H 113 9.361 9.361 9.361 0.000 19553 1305 1 4 . 1 1 114 114 LYS N N 114 123.657 123.657 125.256 -1.599 19553 1306 1 4 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.222 0.382 19553 1307 1 4 . 1 1 114 114 LYS C C 114 176.524 176.524 176.486 0.038 19553 1308 1 4 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.406 0.456 19553 1309 1 4 . 1 1 114 114 LYS CB C 114 34.383 34.383 32.588 1.795 19553 1310 1 4 . 1 1 114 114 LYS H H 114 8.899 8.899 9.438 -0.539 19553 1311 1 4 . 1 1 115 115 SER N N 115 119.515 119.515 125.092 -5.577 19553 1312 1 4 . 1 1 115 115 SER HA H 115 4.589 4.589 4.669 -0.080 19553 1313 1 4 . 1 1 115 115 SER C C 115 178.064 178.064 174.693 3.371 19553 1314 1 4 . 1 1 115 115 SER CA C 115 56.468 56.468 57.323 -0.855 19553 1315 1 4 . 1 1 115 115 SER CB C 115 63.236 63.236 61.797 1.439 19553 1316 1 4 . 1 1 115 115 SER H H 115 8.560 8.560 9.036 -0.476 19553 1317 1 4 . 1 1 116 116 GLY N N 116 118.606 118.606 115.074 3.532 19553 1318 1 4 . 1 1 116 116 GLY C C 116 178.577 178.577 174.476 4.101 19553 1319 1 4 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.670 0.277 19553 1320 1 4 . 1 1 116 116 GLY H H 116 9.067 9.067 8.057 1.010 19553 1321 1 4 . 1 1 117 117 SER N N 117 121.443 121.443 119.116 2.327 19553 1322 1 4 . 1 1 117 117 SER HA H 117 4.310 4.310 4.574 -0.264 19553 1323 1 4 . 1 1 117 117 SER C C 117 180.107 180.107 173.556 6.551 19553 1324 1 4 . 1 1 117 117 SER CA C 117 58.416 58.416 58.045 0.371 19553 1325 1 4 . 1 1 117 117 SER CB C 117 63.758 63.758 64.224 -0.466 19553 1326 1 4 . 1 1 117 117 SER H H 117 8.908 8.908 8.035 0.873 19553 1327 1 4 . 1 1 118 118 LEU N N 118 123.028 123.028 123.690 -0.662 19553 1328 1 4 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.500 0.086 19553 1329 1 4 . 1 1 118 118 LEU C C 118 177.894 177.894 174.760 3.134 19553 1330 1 4 . 1 1 118 118 LEU CA C 118 54.117 54.117 53.877 0.240 19553 1331 1 4 . 1 1 118 118 LEU CB C 118 44.230 44.230 43.835 0.395 19553 1332 1 4 . 1 1 118 118 LEU H H 118 7.763 7.763 7.534 0.229 19553 1333 1 4 . 1 1 119 119 TRP N N 119 120.523 120.523 124.311 -3.788 19553 1334 1 4 . 1 1 119 119 TRP HA H 119 5.218 5.218 4.929 0.289 19553 1335 1 4 . 1 1 119 119 TRP C C 119 177.735 177.735 176.242 1.493 19553 1336 1 4 . 1 1 119 119 TRP CA C 119 56.441 56.441 57.066 -0.625 19553 1337 1 4 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.457 1.724 19553 1338 1 4 . 1 1 119 119 TRP H H 119 8.102 8.102 8.575 -0.473 19553 1339 1 4 . 1 1 120 120 TYR N N 120 119.365 119.365 124.406 -5.041 19553 1340 1 4 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.833 0.022 19553 1341 1 4 . 1 1 120 120 TYR C C 120 179.683 179.683 174.457 5.226 19553 1342 1 4 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.352 -0.925 19553 1343 1 4 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.585 0.203 19553 1344 1 4 . 1 1 120 120 TYR H H 120 9.495 9.495 9.380 0.115 19553 1345 1 4 . 1 1 121 121 ILE N N 121 111.471 111.471 119.415 -7.944 19553 1346 1 4 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.582 0.113 19553 1347 1 4 . 1 1 121 121 ILE C C 121 177.137 177.137 175.127 2.010 19553 1348 1 4 . 1 1 121 121 ILE CA C 121 58.266 58.266 59.004 -0.738 19553 1349 1 4 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.841 1.350 19553 1350 1 4 . 1 1 121 121 ILE H H 121 8.338 8.338 8.478 -0.140 19553 1351 1 4 . 1 1 122 122 THR N N 122 116.120 116.120 121.300 -5.180 19553 1352 1 4 . 1 1 122 122 THR HA H 122 4.493 4.493 4.652 -0.159 19553 1353 1 4 . 1 1 122 122 THR C C 122 180.251 180.251 172.813 7.438 19553 1354 1 4 . 1 1 122 122 THR CA C 122 61.437 61.437 61.517 -0.080 19553 1355 1 4 . 1 1 122 122 THR CB C 122 71.892 71.892 71.219 0.673 19553 1356 1 4 . 1 1 122 122 THR H H 122 7.796 7.796 8.315 -0.519 19553 1357 1 4 . 1 1 123 123 VAL N N 123 128.072 128.072 128.353 -0.281 19553 1358 1 4 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.465 -0.193 19553 1359 1 4 . 1 1 123 123 VAL C C 123 178.576 178.576 174.858 3.718 19553 1360 1 4 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.145 1.813 19553 1361 1 4 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.461 -0.429 19553 1362 1 4 . 1 1 123 123 VAL H H 123 9.009 9.009 8.612 0.397 19553 1363 1 4 . 1 1 124 124 MET N N 124 127.234 127.234 128.235 -1.001 19553 1364 1 4 . 1 1 124 124 MET HA H 124 5.053 5.053 4.896 0.157 19553 1365 1 4 . 1 1 124 124 MET CA C 124 50.145 50.145 51.048 -0.903 19553 1366 1 4 . 1 1 124 124 MET CB C 124 33.625 33.625 33.668 -0.043 19553 1367 1 4 . 1 1 124 124 MET H H 124 8.799 8.799 8.388 0.411 19553 1368 1 4 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.537 0.354 19553 1369 1 4 . 1 1 125 125 PRO C C 125 174.594 174.594 175.936 -1.342 19553 1370 1 4 . 1 1 125 125 PRO CA C 125 61.564 61.564 61.892 -0.328 19553 1371 1 4 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.576 -1.266 19553 1372 1 4 . 1 1 126 126 CYS N N 126 119.444 119.444 121.373 -1.929 19553 1373 1 4 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.654 0.476 19553 1374 1 4 . 1 1 126 126 CYS C C 126 177.425 177.425 175.553 1.872 19553 1375 1 4 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.504 -4.948 19553 1376 1 4 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.397 9.880 19553 1377 1 4 . 1 1 126 126 CYS H H 126 8.355 8.355 8.619 -0.264 19553 1378 1 4 . 1 1 127 127 SER N N 127 117.888 117.888 114.697 3.191 19553 1379 1 4 . 1 1 127 127 SER HA H 127 4.382 4.382 4.374 0.008 19553 1380 1 4 . 1 1 127 127 SER C C 127 178.499 178.499 174.800 3.699 19553 1381 1 4 . 1 1 127 127 SER CA C 127 59.179 59.179 59.115 0.064 19553 1382 1 4 . 1 1 127 127 SER CB C 127 63.503 63.503 63.845 -0.342 19553 1383 1 4 . 1 1 127 127 SER H H 127 8.255 8.255 8.519 -0.264 19553 1384 1 4 . 1 1 128 128 ILE N N 128 125.176 125.176 126.035 -0.859 19553 1385 1 4 . 1 1 128 128 ILE HA H 128 3.988 3.988 4.107 -0.119 19553 1386 1 4 . 1 1 128 128 ILE C C 128 176.825 176.825 177.544 -0.719 19553 1387 1 4 . 1 1 128 128 ILE CA C 128 63.307 63.307 62.990 0.317 19553 1388 1 4 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.700 -0.075 19553 1389 1 4 . 1 1 128 128 ILE H H 128 8.727 8.727 8.653 0.074 19553 1390 1 4 . 1 1 129 129 GLY N N 129 114.581 114.581 114.865 -0.284 19553 1391 1 4 . 1 1 129 129 GLY C C 129 178.928 178.928 174.067 4.861 19553 1392 1 4 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.197 -0.313 19553 1393 1 4 . 1 1 129 129 GLY H H 129 8.888 8.888 8.536 0.352 19553 1394 1 4 . 1 1 130 130 THR N N 130 110.279 110.279 112.098 -1.819 19553 1395 1 4 . 1 1 130 130 THR HA H 130 5.294 5.294 5.331 -0.037 19553 1396 1 4 . 1 1 130 130 THR C C 130 180.377 180.377 173.025 7.352 19553 1397 1 4 . 1 1 130 130 THR CA C 130 60.262 60.262 60.197 0.065 19553 1398 1 4 . 1 1 130 130 THR CB C 130 72.701 72.701 72.324 0.377 19553 1399 1 4 . 1 1 130 130 THR H H 130 8.132 8.132 7.934 0.198 19553 1400 1 4 . 1 1 131 131 LYS N N 131 117.394 117.394 118.889 -1.495 19553 1401 1 4 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.269 -0.440 19553 1402 1 4 . 1 1 131 131 LYS C C 131 179.939 179.939 174.762 5.177 19553 1403 1 4 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.335 -0.282 19553 1404 1 4 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.134 -0.189 19553 1405 1 4 . 1 1 131 131 LYS H H 131 9.579 9.579 9.155 0.424 19553 1406 1 4 . 1 1 132 132 PHE N N 132 123.518 123.518 123.937 -0.419 19553 1407 1 4 . 1 1 132 132 PHE HA H 132 4.393 4.393 5.006 -0.613 19553 1408 1 4 . 1 1 132 132 PHE C C 132 178.908 178.908 175.065 3.843 19553 1409 1 4 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.388 1.538 19553 1410 1 4 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.911 -1.616 19553 1411 1 4 . 1 1 132 132 PHE H H 132 9.347 9.347 9.029 0.318 19553 1412 1 4 . 1 1 133 133 ASP N N 133 130.494 130.494 127.190 3.304 19553 1413 1 4 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.999 -0.023 19553 1414 1 4 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.614 -0.763 19553 1415 1 4 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.352 0.064 19553 1416 1 4 . 1 1 133 133 ASP H H 133 8.091 8.091 8.190 -0.099 19553 1417 1 4 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.502 -0.425 19553 1418 1 4 . 1 1 134 134 PRO C C 134 176.646 176.646 176.991 -0.345 19553 1419 1 4 . 1 1 134 134 PRO CA C 134 63.636 63.636 65.019 -1.383 19553 1420 1 4 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.412 0.388 19553 1421 1 4 . 1 1 135 135 ILE N N 135 118.026 118.026 116.115 1.911 19553 1422 1 4 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.018 -0.118 19553 1423 1 4 . 1 1 135 135 ILE C C 135 175.842 175.842 177.505 -1.663 19553 1424 1 4 . 1 1 135 135 ILE CA C 135 63.390 63.390 61.921 1.469 19553 1425 1 4 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.571 -1.655 19553 1426 1 4 . 1 1 135 135 ILE H H 135 7.844 7.844 7.643 0.201 19553 1427 1 4 . 1 1 136 136 SER N N 136 113.845 113.845 114.128 -0.283 19553 1428 1 4 . 1 1 136 136 SER HA H 136 4.144 4.144 4.256 -0.112 19553 1429 1 4 . 1 1 136 136 SER C C 136 178.752 178.752 174.319 4.433 19553 1430 1 4 . 1 1 136 136 SER CA C 136 59.461 59.461 59.933 -0.472 19553 1431 1 4 . 1 1 136 136 SER CB C 136 63.840 63.840 63.868 -0.028 19553 1432 1 4 . 1 1 136 136 SER H H 136 7.779 7.779 8.978 -1.199 19553 1433 1 4 . 1 1 137 137 ARG N N 137 116.720 116.720 117.031 -0.311 19553 1434 1 4 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.642 -0.411 19553 1435 1 4 . 1 1 137 137 ARG C C 137 180.002 180.002 173.986 6.016 19553 1436 1 4 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.200 0.910 19553 1437 1 4 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.622 -1.419 19553 1438 1 4 . 1 1 137 137 ARG H H 137 7.935 7.935 7.747 0.188 19553 1439 1 4 . 1 1 138 138 ASN N N 138 113.845 113.845 113.838 0.007 19553 1440 1 4 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.612 0.089 19553 1441 1 4 . 1 1 138 138 ASN C C 138 179.580 179.580 172.514 7.066 19553 1442 1 4 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.649 -0.837 19553 1443 1 4 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.596 1.149 19553 1444 1 4 . 1 1 138 138 ASN H H 138 6.857 6.857 6.985 -0.128 19553 1445 1 4 . 1 1 139 139 CYS N N 139 120.168 120.168 118.173 1.995 19553 1446 1 4 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.166 0.054 19553 1447 1 4 . 1 1 139 139 CYS C C 139 178.616 178.616 175.256 3.360 19553 1448 1 4 . 1 1 139 139 CYS CA C 139 56.188 56.188 57.863 -1.675 19553 1449 1 4 . 1 1 139 139 CYS CB C 139 40.808 40.808 26.998 13.810 19553 1450 1 4 . 1 1 139 139 CYS H H 139 8.519 8.519 8.492 0.027 19553 1451 1 4 . 1 1 140 140 VAL N N 140 119.928 119.928 119.933 -0.005 19553 1452 1 4 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.631 0.036 19553 1453 1 4 . 1 1 140 140 VAL C C 140 178.299 178.299 174.381 3.918 19553 1454 1 4 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.643 -0.505 19553 1455 1 4 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.480 0.922 19553 1456 1 4 . 1 1 140 140 VAL H H 140 9.531 9.531 9.161 0.370 19553 1457 1 4 . 1 1 141 141 LEU N N 141 121.749 121.749 123.054 -1.305 19553 1458 1 4 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.366 -0.357 19553 1459 1 4 . 1 1 141 141 LEU C C 141 176.847 176.847 176.779 0.068 19553 1460 1 4 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.652 1.190 19553 1461 1 4 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.385 0.817 19553 1462 1 4 . 1 1 141 141 LEU H H 141 8.363 8.363 8.659 -0.296 19553 1463 1 4 . 1 1 142 142 ASP N N 142 123.416 123.416 126.491 -3.075 19553 1464 1 4 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.582 0.045 19553 1465 1 4 . 1 1 142 142 ASP C C 142 179.175 179.175 174.623 4.552 19553 1466 1 4 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.554 -1.510 19553 1467 1 4 . 1 1 142 142 ASP CB C 142 40.741 40.741 40.817 -0.076 19553 1468 1 4 . 1 1 142 142 ASP H H 142 8.271 8.271 8.326 -0.055 19553 1469 1 5 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.776 -0.255 19553 1470 1 5 . 1 1 76 76 PRO C C 76 176.427 176.427 176.543 -0.116 19553 1471 1 5 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.685 0.371 19553 1472 1 5 . 1 1 76 76 PRO CB C 76 32.361 32.361 30.872 1.488 19553 1473 1 5 . 1 1 77 77 LEU N N 77 122.647 122.647 120.840 1.807 19553 1474 1 5 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.501 -0.072 19553 1475 1 5 . 1 1 77 77 LEU C C 77 175.532 175.532 177.013 -1.481 19553 1476 1 5 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.207 1.443 19553 1477 1 5 . 1 1 77 77 LEU CB C 77 42.341 42.341 40.236 2.105 19553 1478 1 5 . 1 1 77 77 LEU H H 77 8.571 8.571 7.531 1.040 19553 1479 1 5 . 1 1 78 78 GLY N N 78 110.072 110.072 107.031 3.041 19553 1480 1 5 . 1 1 78 78 GLY C C 78 179.395 179.395 175.634 3.761 19553 1481 1 5 . 1 1 78 78 GLY CA C 78 45.270 45.270 46.180 -0.910 19553 1482 1 5 . 1 1 78 78 GLY H H 78 8.483 8.483 7.435 1.048 19553 1483 1 5 . 1 1 79 79 SER N N 79 115.122 115.122 116.643 -1.521 19553 1484 1 5 . 1 1 79 79 SER HA H 79 4.549 4.549 4.054 0.495 19553 1485 1 5 . 1 1 79 79 SER C C 79 179.859 179.859 173.342 6.517 19553 1486 1 5 . 1 1 79 79 SER CA C 79 58.151 58.151 60.854 -2.703 19553 1487 1 5 . 1 1 79 79 SER CB C 79 64.330 64.330 63.774 0.556 19553 1488 1 5 . 1 1 79 79 SER H H 79 8.151 8.151 8.022 0.129 19553 1489 1 5 . 1 1 80 80 ASP N N 80 122.779 122.779 120.775 2.004 19553 1490 1 5 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.335 -0.582 19553 1491 1 5 . 1 1 80 80 ASP C C 80 178.137 178.137 174.157 3.980 19553 1492 1 5 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.468 0.560 19553 1493 1 5 . 1 1 80 80 ASP CB C 80 41.202 41.202 43.139 -1.937 19553 1494 1 5 . 1 1 80 80 ASP H H 80 8.294 8.294 7.836 0.458 19553 1495 1 5 . 1 1 81 81 LEU N N 81 125.106 125.106 127.241 -2.135 19553 1496 1 5 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.931 -0.448 19553 1497 1 5 . 1 1 81 81 LEU C C 81 178.326 178.326 174.815 3.511 19553 1498 1 5 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.373 0.737 19553 1499 1 5 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.669 -3.579 19553 1500 1 5 . 1 1 81 81 LEU H H 81 8.532 8.532 8.805 -0.273 19553 1501 1 5 . 1 1 82 82 ILE N N 82 120.036 120.036 126.102 -6.066 19553 1502 1 5 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.745 0.075 19553 1503 1 5 . 1 1 82 82 ILE C C 82 177.782 177.782 176.036 1.746 19553 1504 1 5 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.992 -1.818 19553 1505 1 5 . 1 1 82 82 ILE CB C 82 40.919 40.919 38.668 2.251 19553 1506 1 5 . 1 1 82 82 ILE H H 82 7.848 7.848 8.313 -0.465 19553 1507 1 5 . 1 1 83 83 VAL N N 83 119.733 119.733 122.658 -2.925 19553 1508 1 5 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.785 -0.355 19553 1509 1 5 . 1 1 83 83 VAL C C 83 179.809 179.809 174.126 5.683 19553 1510 1 5 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.163 0.290 19553 1511 1 5 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.489 -0.336 19553 1512 1 5 . 1 1 83 83 VAL H H 83 8.511 8.511 8.924 -0.413 19553 1513 1 5 . 1 1 84 84 HIS N N 84 122.907 122.907 120.245 2.662 19553 1514 1 5 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.530 0.030 19553 1515 1 5 . 1 1 84 84 HIS C C 84 178.593 178.593 174.835 3.758 19553 1516 1 5 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.191 -0.614 19553 1517 1 5 . 1 1 84 84 HIS CB C 84 30.967 30.967 31.157 -0.190 19553 1518 1 5 . 1 1 84 84 HIS H H 84 8.908 8.908 8.525 0.383 19553 1519 1 5 . 1 1 85 85 GLU N N 85 124.766 124.766 125.349 -0.583 19553 1520 1 5 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.447 0.319 19553 1521 1 5 . 1 1 85 85 GLU C C 85 176.641 176.641 176.751 -0.110 19553 1522 1 5 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.972 1.399 19553 1523 1 5 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.923 2.998 19553 1524 1 5 . 1 1 85 85 GLU H H 85 8.979 8.979 9.200 -0.221 19553 1525 1 5 . 1 1 86 86 GLY N N 86 119.987 119.987 113.989 5.998 19553 1526 1 5 . 1 1 86 86 GLY C C 86 178.249 178.249 174.935 3.314 19553 1527 1 5 . 1 1 86 86 GLY CA C 86 47.276 47.276 46.018 1.258 19553 1528 1 5 . 1 1 86 86 GLY H H 86 9.540 9.540 9.095 0.445 19553 1529 1 5 . 1 1 87 87 GLY N N 87 108.242 108.242 106.037 2.205 19553 1530 1 5 . 1 1 87 87 GLY C C 87 179.578 179.578 175.162 4.416 19553 1531 1 5 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.072 -0.131 19553 1532 1 5 . 1 1 87 87 GLY H H 87 8.920 8.920 8.623 0.297 19553 1533 1 5 . 1 1 88 88 LYS N N 88 121.010 121.010 123.615 -2.605 19553 1534 1 5 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.515 0.103 19553 1535 1 5 . 1 1 88 88 LYS C C 88 178.241 178.241 175.792 2.449 19553 1536 1 5 . 1 1 88 88 LYS CA C 88 54.917 54.917 55.157 -0.240 19553 1537 1 5 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.353 1.799 19553 1538 1 5 . 1 1 88 88 LYS H H 88 7.858 7.858 7.742 0.116 19553 1539 1 5 . 1 1 89 89 THR N N 89 117.172 117.172 115.933 1.239 19553 1540 1 5 . 1 1 89 89 THR HA H 89 4.691 4.691 5.097 -0.406 19553 1541 1 5 . 1 1 89 89 THR C C 89 180.192 180.192 174.387 5.805 19553 1542 1 5 . 1 1 89 89 THR CA C 89 61.646 61.646 61.957 -0.311 19553 1543 1 5 . 1 1 89 89 THR CB C 89 70.339 70.339 68.888 1.451 19553 1544 1 5 . 1 1 89 89 THR H H 89 8.230 8.230 8.302 -0.072 19553 1545 1 5 . 1 1 90 90 TYR N N 90 123.521 123.521 125.720 -2.199 19553 1546 1 5 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.801 -0.122 19553 1547 1 5 . 1 1 90 90 TYR C C 90 179.282 179.282 175.072 4.210 19553 1548 1 5 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.774 -0.367 19553 1549 1 5 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.591 -1.619 19553 1550 1 5 . 1 1 90 90 TYR H H 90 8.927 8.927 8.969 -0.042 19553 1551 1 5 . 1 1 91 91 HIS N N 91 120.999 120.999 120.480 0.519 19553 1552 1 5 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.000 0.086 19553 1553 1 5 . 1 1 91 91 HIS C C 91 178.719 178.719 174.909 3.810 19553 1554 1 5 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.931 -0.948 19553 1555 1 5 . 1 1 91 91 HIS CB C 91 29.492 29.492 32.104 -2.612 19553 1556 1 5 . 1 1 91 91 HIS H H 91 8.987 8.987 8.672 0.315 19553 1557 1 5 . 1 1 92 92 VAL N N 92 120.849 120.849 125.380 -4.531 19553 1558 1 5 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.198 0.202 19553 1559 1 5 . 1 1 92 92 VAL C C 92 180.110 180.110 174.042 6.068 19553 1560 1 5 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.571 -1.411 19553 1561 1 5 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.468 1.075 19553 1562 1 5 . 1 1 92 92 VAL H H 92 8.677 8.677 8.994 -0.317 19553 1563 1 5 . 1 1 93 93 VAL N N 93 121.626 121.626 126.621 -4.995 19553 1564 1 5 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.826 -0.645 19553 1565 1 5 . 1 1 93 93 VAL C C 93 178.555 178.555 174.477 4.078 19553 1566 1 5 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.217 0.330 19553 1567 1 5 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.437 -0.162 19553 1568 1 5 . 1 1 93 93 VAL H H 93 7.997 7.997 8.128 -0.131 19553 1569 1 5 . 1 1 94 94 CYS N N 94 123.035 123.035 127.051 -4.016 19553 1570 1 5 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.490 -0.097 19553 1571 1 5 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.120 -4.630 19553 1572 1 5 . 1 1 94 94 CYS CB C 94 41.492 41.492 27.975 13.517 19553 1573 1 5 . 1 1 94 94 CYS H H 94 7.890 7.890 8.451 -0.561 19553 1574 1 5 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.615 -0.182 19553 1575 1 5 . 1 1 95 95 HIS C C 95 179.991 179.991 175.078 4.913 19553 1576 1 5 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.224 -0.813 19553 1577 1 5 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.851 0.424 19553 1578 1 5 . 1 1 96 96 GLU N N 96 117.019 117.019 119.817 -2.798 19553 1579 1 5 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.783 0.058 19553 1580 1 5 . 1 1 96 96 GLU C C 96 178.360 178.360 175.309 3.051 19553 1581 1 5 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.371 -0.931 19553 1582 1 5 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.464 0.041 19553 1583 1 5 . 1 1 96 96 GLU H H 96 7.623 7.623 8.090 -0.467 19553 1584 1 5 . 1 1 97 97 GLU N N 97 121.779 121.779 123.444 -1.665 19553 1585 1 5 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.287 0.156 19553 1586 1 5 . 1 1 97 97 GLU C C 97 176.658 176.658 175.980 0.678 19553 1587 1 5 . 1 1 97 97 GLU CA C 97 57.932 57.932 57.002 0.930 19553 1588 1 5 . 1 1 97 97 GLU CB C 97 30.651 30.651 29.503 1.148 19553 1589 1 5 . 1 1 97 97 GLU H H 97 9.280 9.280 8.810 0.470 19553 1590 1 5 . 1 1 98 98 GLY N N 98 109.900 109.900 112.197 -2.297 19553 1591 1 5 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.519 -0.243 19553 1592 1 5 . 1 1 98 98 GLY H H 98 8.745 8.745 7.650 1.095 19553 1593 1 5 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.679 -0.010 19553 1594 1 5 . 1 1 99 99 PRO C C 99 176.795 176.795 176.070 0.725 19553 1595 1 5 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.237 0.334 19553 1596 1 5 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.493 1.194 19553 1597 1 5 . 1 1 100 100 ILE N N 100 118.686 118.686 119.729 -1.043 19553 1598 1 5 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.119 -0.212 19553 1599 1 5 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.518 1.688 19553 1600 1 5 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.366 0.738 19553 1601 1 5 . 1 1 100 100 ILE H H 100 9.748 9.748 8.964 0.784 19553 1602 1 5 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.656 -0.525 19553 1603 1 5 . 1 1 101 101 PRO C C 101 177.525 177.525 176.457 1.068 19553 1604 1 5 . 1 1 101 101 PRO CA C 101 63.083 63.083 63.011 0.072 19553 1605 1 5 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.929 -1.259 19553 1606 1 5 . 1 1 102 102 HIS N N 102 123.222 123.222 119.985 3.237 19553 1607 1 5 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.698 -0.110 19553 1608 1 5 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.511 -1.946 19553 1609 1 5 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.335 -0.465 19553 1610 1 5 . 1 1 102 102 HIS H H 102 8.717 8.717 8.597 0.120 19553 1611 1 5 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.354 -0.073 19553 1612 1 5 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.148 -0.673 19553 1613 1 5 . 1 1 103 103 PRO CB C 103 31.986 31.986 32.071 -0.085 19553 1614 1 5 . 1 1 104 104 GLY N N 104 106.530 106.530 108.289 -1.759 19553 1615 1 5 . 1 1 104 104 GLY C C 104 180.058 180.058 174.268 5.790 19553 1616 1 5 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.821 -0.110 19553 1617 1 5 . 1 1 104 104 GLY H H 104 9.682 9.682 7.794 1.888 19553 1618 1 5 . 1 1 105 105 ASN N N 105 118.099 118.099 121.547 -3.448 19553 1619 1 5 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.987 -0.311 19553 1620 1 5 . 1 1 105 105 ASN C C 105 178.082 178.082 175.905 2.177 19553 1621 1 5 . 1 1 105 105 ASN CA C 105 53.234 53.234 52.137 1.097 19553 1622 1 5 . 1 1 105 105 ASN CB C 105 39.173 39.173 40.413 -1.240 19553 1623 1 5 . 1 1 105 105 ASN H H 105 6.870 6.870 8.048 -1.178 19553 1624 1 5 . 1 1 106 106 VAL N N 106 123.752 123.752 122.540 1.212 19553 1625 1 5 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.834 0.745 19553 1626 1 5 . 1 1 106 106 VAL C C 106 178.463 178.463 176.671 1.792 19553 1627 1 5 . 1 1 106 106 VAL CA C 106 63.313 63.313 65.114 -1.801 19553 1628 1 5 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.184 0.428 19553 1629 1 5 . 1 1 106 106 VAL H H 106 8.774 8.774 8.833 -0.059 19553 1630 1 5 . 1 1 107 107 HIS N N 107 116.712 116.712 118.129 -1.417 19553 1631 1 5 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.874 -0.284 19553 1632 1 5 . 1 1 107 107 HIS C C 107 180.421 180.421 175.593 4.828 19553 1633 1 5 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.074 -0.425 19553 1634 1 5 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.024 -1.270 19553 1635 1 5 . 1 1 107 107 HIS H H 107 9.171 9.171 8.331 0.840 19553 1636 1 5 . 1 1 108 108 LYS N N 108 119.379 119.379 117.257 2.122 19553 1637 1 5 . 1 1 108 108 LYS HA H 108 5.118 5.118 5.094 0.024 19553 1638 1 5 . 1 1 108 108 LYS C C 108 181.487 181.487 174.560 6.927 19553 1639 1 5 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.250 -0.692 19553 1640 1 5 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.965 2.384 19553 1641 1 5 . 1 1 108 108 LYS H H 108 7.627 7.627 7.817 -0.190 19553 1642 1 5 . 1 1 109 109 TYR N N 109 114.203 114.203 117.532 -3.329 19553 1643 1 5 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.943 -0.366 19553 1644 1 5 . 1 1 109 109 TYR C C 109 181.588 181.588 172.742 8.846 19553 1645 1 5 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.849 0.518 19553 1646 1 5 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.062 -3.267 19553 1647 1 5 . 1 1 109 109 TYR H H 109 9.006 9.006 9.222 -0.216 19553 1648 1 5 . 1 1 110 110 ILE N N 110 119.840 119.840 118.258 1.582 19553 1649 1 5 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.726 -0.041 19553 1650 1 5 . 1 1 110 110 ILE C C 110 178.917 178.917 174.916 4.001 19553 1651 1 5 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.350 -0.110 19553 1652 1 5 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.489 -0.259 19553 1653 1 5 . 1 1 110 110 ILE H H 110 8.764 8.764 9.061 -0.297 19553 1654 1 5 . 1 1 111 111 ILE N N 111 124.346 124.346 126.313 -1.967 19553 1655 1 5 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.343 -0.011 19553 1656 1 5 . 1 1 111 111 ILE C C 111 175.896 175.896 174.770 1.126 19553 1657 1 5 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.167 0.534 19553 1658 1 5 . 1 1 111 111 ILE CB C 111 39.513 39.513 37.966 1.547 19553 1659 1 5 . 1 1 111 111 ILE H H 111 9.032 9.032 8.594 0.438 19553 1660 1 5 . 1 1 112 112 CYS N N 112 128.772 128.772 128.762 0.010 19553 1661 1 5 . 1 1 112 112 CYS HA H 112 5.081 5.081 5.098 -0.017 19553 1662 1 5 . 1 1 112 112 CYS C C 112 178.268 178.268 174.762 3.506 19553 1663 1 5 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.083 -0.841 19553 1664 1 5 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.194 16.761 19553 1665 1 5 . 1 1 112 112 CYS H H 112 8.517 8.517 8.603 -0.086 19553 1666 1 5 . 1 1 113 113 SER N N 113 120.988 120.988 121.019 -0.031 19553 1667 1 5 . 1 1 113 113 SER HA H 113 4.996 4.996 4.659 0.337 19553 1668 1 5 . 1 1 113 113 SER C C 113 182.750 182.750 172.839 9.911 19553 1669 1 5 . 1 1 113 113 SER CA C 113 57.517 57.517 56.810 0.707 19553 1670 1 5 . 1 1 113 113 SER CB C 113 65.528 65.528 65.612 -0.084 19553 1671 1 5 . 1 1 113 113 SER H H 113 9.361 9.361 9.374 -0.013 19553 1672 1 5 . 1 1 114 114 LYS N N 114 123.657 123.657 125.799 -2.142 19553 1673 1 5 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.330 0.274 19553 1674 1 5 . 1 1 114 114 LYS C C 114 176.524 176.524 176.895 -0.371 19553 1675 1 5 . 1 1 114 114 LYS CA C 114 54.862 54.862 55.345 -0.483 19553 1676 1 5 . 1 1 114 114 LYS CB C 114 34.383 34.383 32.654 1.729 19553 1677 1 5 . 1 1 114 114 LYS H H 114 8.899 8.899 8.632 0.267 19553 1678 1 5 . 1 1 115 115 SER N N 115 119.515 119.515 125.475 -5.960 19553 1679 1 5 . 1 1 115 115 SER HA H 115 4.589 4.589 4.723 -0.134 19553 1680 1 5 . 1 1 115 115 SER C C 115 178.064 178.064 174.524 3.540 19553 1681 1 5 . 1 1 115 115 SER CA C 115 56.468 56.468 56.614 -0.146 19553 1682 1 5 . 1 1 115 115 SER CB C 115 63.236 63.236 62.185 1.051 19553 1683 1 5 . 1 1 115 115 SER H H 115 8.560 8.560 9.103 -0.543 19553 1684 1 5 . 1 1 116 116 GLY N N 116 118.606 118.606 115.183 3.423 19553 1685 1 5 . 1 1 116 116 GLY C C 116 178.577 178.577 174.537 4.040 19553 1686 1 5 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.502 0.445 19553 1687 1 5 . 1 1 116 116 GLY H H 116 9.067 9.067 8.051 1.016 19553 1688 1 5 . 1 1 117 117 SER N N 117 121.443 121.443 119.699 1.744 19553 1689 1 5 . 1 1 117 117 SER HA H 117 4.310 4.310 4.640 -0.330 19553 1690 1 5 . 1 1 117 117 SER C C 117 180.107 180.107 173.974 6.133 19553 1691 1 5 . 1 1 117 117 SER CA C 117 58.416 58.416 57.374 1.042 19553 1692 1 5 . 1 1 117 117 SER CB C 117 63.758 63.758 63.459 0.298 19553 1693 1 5 . 1 1 117 117 SER H H 117 8.908 8.908 8.291 0.617 19553 1694 1 5 . 1 1 118 118 LEU N N 118 123.028 123.028 123.932 -0.904 19553 1695 1 5 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.645 -0.059 19553 1696 1 5 . 1 1 118 118 LEU C C 118 177.894 177.894 175.003 2.891 19553 1697 1 5 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.227 -0.110 19553 1698 1 5 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.854 -0.624 19553 1699 1 5 . 1 1 118 118 LEU H H 118 7.763 7.763 7.421 0.342 19553 1700 1 5 . 1 1 119 119 TRP N N 119 120.523 120.523 122.828 -2.305 19553 1701 1 5 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.118 0.100 19553 1702 1 5 . 1 1 119 119 TRP C C 119 177.735 177.735 175.849 1.886 19553 1703 1 5 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.467 -0.026 19553 1704 1 5 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.724 1.457 19553 1705 1 5 . 1 1 119 119 TRP H H 119 8.102 8.102 8.665 -0.563 19553 1706 1 5 . 1 1 120 120 TYR N N 120 119.365 119.365 123.626 -4.261 19553 1707 1 5 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.834 0.021 19553 1708 1 5 . 1 1 120 120 TYR C C 120 179.683 179.683 174.621 5.062 19553 1709 1 5 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.406 -0.979 19553 1710 1 5 . 1 1 120 120 TYR CB C 120 40.788 40.788 41.121 -0.333 19553 1711 1 5 . 1 1 120 120 TYR H H 120 9.495 9.495 9.266 0.229 19553 1712 1 5 . 1 1 121 121 ILE N N 121 111.471 111.471 118.931 -7.460 19553 1713 1 5 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.505 0.190 19553 1714 1 5 . 1 1 121 121 ILE C C 121 177.137 177.137 175.627 1.510 19553 1715 1 5 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.407 -0.141 19553 1716 1 5 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.619 1.572 19553 1717 1 5 . 1 1 121 121 ILE H H 121 8.338 8.338 8.515 -0.177 19553 1718 1 5 . 1 1 122 122 THR N N 122 116.120 116.120 118.814 -2.694 19553 1719 1 5 . 1 1 122 122 THR HA H 122 4.493 4.493 4.542 -0.049 19553 1720 1 5 . 1 1 122 122 THR C C 122 180.251 180.251 172.340 7.911 19553 1721 1 5 . 1 1 122 122 THR CA C 122 61.437 61.437 61.891 -0.454 19553 1722 1 5 . 1 1 122 122 THR CB C 122 71.892 71.892 70.535 1.357 19553 1723 1 5 . 1 1 122 122 THR H H 122 7.796 7.796 8.469 -0.673 19553 1724 1 5 . 1 1 123 123 VAL N N 123 128.072 128.072 127.216 0.856 19553 1725 1 5 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.594 -0.322 19553 1726 1 5 . 1 1 123 123 VAL C C 123 178.576 178.576 174.718 3.858 19553 1727 1 5 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.092 1.866 19553 1728 1 5 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.767 -0.735 19553 1729 1 5 . 1 1 123 123 VAL H H 123 9.009 9.009 8.458 0.551 19553 1730 1 5 . 1 1 124 124 MET N N 124 127.234 127.234 128.580 -1.346 19553 1731 1 5 . 1 1 124 124 MET HA H 124 5.053 5.053 4.943 0.110 19553 1732 1 5 . 1 1 124 124 MET CA C 124 50.145 50.145 51.116 -0.971 19553 1733 1 5 . 1 1 124 124 MET CB C 124 33.625 33.625 33.583 0.042 19553 1734 1 5 . 1 1 124 124 MET H H 124 8.799 8.799 8.557 0.242 19553 1735 1 5 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.728 0.163 19553 1736 1 5 . 1 1 125 125 PRO C C 125 174.594 174.594 176.211 -1.617 19553 1737 1 5 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.182 -0.618 19553 1738 1 5 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.428 -1.118 19553 1739 1 5 . 1 1 126 126 CYS N N 126 119.444 119.444 122.601 -3.157 19553 1740 1 5 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.579 0.552 19553 1741 1 5 . 1 1 126 126 CYS C C 126 177.425 177.425 175.664 1.761 19553 1742 1 5 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.903 -5.347 19553 1743 1 5 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.385 9.892 19553 1744 1 5 . 1 1 126 126 CYS H H 126 8.355 8.355 8.828 -0.473 19553 1745 1 5 . 1 1 127 127 SER N N 127 117.888 117.888 116.611 1.277 19553 1746 1 5 . 1 1 127 127 SER HA H 127 4.382 4.382 4.389 -0.007 19553 1747 1 5 . 1 1 127 127 SER C C 127 178.499 178.499 174.483 4.016 19553 1748 1 5 . 1 1 127 127 SER CA C 127 59.179 59.179 58.389 0.790 19553 1749 1 5 . 1 1 127 127 SER CB C 127 63.503 63.503 63.714 -0.211 19553 1750 1 5 . 1 1 127 127 SER H H 127 8.255 8.255 8.533 -0.278 19553 1751 1 5 . 1 1 128 128 ILE N N 128 125.176 125.176 123.007 2.169 19553 1752 1 5 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.864 0.124 19553 1753 1 5 . 1 1 128 128 ILE C C 128 176.825 176.825 177.272 -0.447 19553 1754 1 5 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.105 0.202 19553 1755 1 5 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.444 0.180 19553 1756 1 5 . 1 1 128 128 ILE H H 128 8.727 8.727 8.516 0.211 19553 1757 1 5 . 1 1 129 129 GLY N N 129 114.581 114.581 115.174 -0.593 19553 1758 1 5 . 1 1 129 129 GLY C C 129 178.928 178.928 174.257 4.671 19553 1759 1 5 . 1 1 129 129 GLY CA C 129 44.884 44.884 44.955 -0.071 19553 1760 1 5 . 1 1 129 129 GLY H H 129 8.888 8.888 8.294 0.594 19553 1761 1 5 . 1 1 130 130 THR N N 130 110.279 110.279 112.891 -2.612 19553 1762 1 5 . 1 1 130 130 THR HA H 130 5.294 5.294 5.349 -0.055 19553 1763 1 5 . 1 1 130 130 THR C C 130 180.377 180.377 173.054 7.323 19553 1764 1 5 . 1 1 130 130 THR CA C 130 60.262 60.262 60.239 0.023 19553 1765 1 5 . 1 1 130 130 THR CB C 130 72.701 72.701 72.266 0.435 19553 1766 1 5 . 1 1 130 130 THR H H 130 8.132 8.132 7.895 0.237 19553 1767 1 5 . 1 1 131 131 LYS N N 131 117.394 117.394 118.974 -1.580 19553 1768 1 5 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.169 -0.340 19553 1769 1 5 . 1 1 131 131 LYS C C 131 179.939 179.939 174.671 5.268 19553 1770 1 5 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.371 -0.318 19553 1771 1 5 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.104 -0.159 19553 1772 1 5 . 1 1 131 131 LYS H H 131 9.579 9.579 9.086 0.493 19553 1773 1 5 . 1 1 132 132 PHE N N 132 123.518 123.518 123.720 -0.202 19553 1774 1 5 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.800 -0.407 19553 1775 1 5 . 1 1 132 132 PHE C C 132 178.908 178.908 174.935 3.973 19553 1776 1 5 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.645 1.281 19553 1777 1 5 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.493 -1.198 19553 1778 1 5 . 1 1 132 132 PHE H H 132 9.347 9.347 8.938 0.409 19553 1779 1 5 . 1 1 133 133 ASP N N 133 130.494 130.494 127.734 2.760 19553 1780 1 5 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.994 -0.018 19553 1781 1 5 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.435 -0.584 19553 1782 1 5 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.152 0.264 19553 1783 1 5 . 1 1 133 133 ASP H H 133 8.091 8.091 8.231 -0.140 19553 1784 1 5 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.528 -0.451 19553 1785 1 5 . 1 1 134 134 PRO C C 134 176.646 176.646 176.997 -0.351 19553 1786 1 5 . 1 1 134 134 PRO CA C 134 63.636 63.636 65.094 -1.458 19553 1787 1 5 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.233 0.567 19553 1788 1 5 . 1 1 135 135 ILE N N 135 118.026 118.026 116.574 1.452 19553 1789 1 5 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.040 -0.140 19553 1790 1 5 . 1 1 135 135 ILE C C 135 175.842 175.842 177.237 -1.395 19553 1791 1 5 . 1 1 135 135 ILE CA C 135 63.390 63.390 61.928 1.462 19553 1792 1 5 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.438 -1.522 19553 1793 1 5 . 1 1 135 135 ILE H H 135 7.844 7.844 7.627 0.217 19553 1794 1 5 . 1 1 136 136 SER N N 136 113.845 113.845 114.417 -0.572 19553 1795 1 5 . 1 1 136 136 SER HA H 136 4.144 4.144 4.241 -0.097 19553 1796 1 5 . 1 1 136 136 SER C C 136 178.752 178.752 174.542 4.210 19553 1797 1 5 . 1 1 136 136 SER CA C 136 59.461 59.461 60.196 -0.735 19553 1798 1 5 . 1 1 136 136 SER CB C 136 63.840 63.840 63.838 0.002 19553 1799 1 5 . 1 1 136 136 SER H H 136 7.779 7.779 8.793 -1.014 19553 1800 1 5 . 1 1 137 137 ARG N N 137 116.720 116.720 116.363 0.357 19553 1801 1 5 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.795 -0.564 19553 1802 1 5 . 1 1 137 137 ARG C C 137 180.002 180.002 174.134 5.868 19553 1803 1 5 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.531 0.579 19553 1804 1 5 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.629 -1.426 19553 1805 1 5 . 1 1 137 137 ARG H H 137 7.935 7.935 8.027 -0.092 19553 1806 1 5 . 1 1 138 138 ASN N N 138 113.845 113.845 113.128 0.717 19553 1807 1 5 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.700 0.001 19553 1808 1 5 . 1 1 138 138 ASN C C 138 179.580 179.580 172.333 7.247 19553 1809 1 5 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.507 -0.695 19553 1810 1 5 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.901 0.844 19553 1811 1 5 . 1 1 138 138 ASN H H 138 6.857 6.857 6.905 -0.048 19553 1812 1 5 . 1 1 139 139 CYS N N 139 120.168 120.168 120.149 0.019 19553 1813 1 5 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.240 -0.020 19553 1814 1 5 . 1 1 139 139 CYS C C 139 178.616 178.616 175.264 3.352 19553 1815 1 5 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.171 -1.983 19553 1816 1 5 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.118 13.690 19553 1817 1 5 . 1 1 139 139 CYS H H 139 8.519 8.519 8.413 0.106 19553 1818 1 5 . 1 1 140 140 VAL N N 140 119.928 119.928 119.907 0.021 19553 1819 1 5 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.542 0.125 19553 1820 1 5 . 1 1 140 140 VAL C C 140 178.299 178.299 175.233 3.066 19553 1821 1 5 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.351 -0.213 19553 1822 1 5 . 1 1 140 140 VAL CB C 140 35.402 35.402 33.698 1.704 19553 1823 1 5 . 1 1 140 140 VAL H H 140 9.531 9.531 9.116 0.415 19553 1824 1 5 . 1 1 141 141 LEU N N 141 121.749 121.749 123.082 -1.333 19553 1825 1 5 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.180 -0.171 19553 1826 1 5 . 1 1 141 141 LEU C C 141 176.847 176.847 176.280 0.567 19553 1827 1 5 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.692 1.150 19553 1828 1 5 . 1 1 141 141 LEU CB C 141 42.202 42.202 40.515 1.687 19553 1829 1 5 . 1 1 141 141 LEU H H 141 8.363 8.363 8.572 -0.209 19553 1830 1 5 . 1 1 142 142 ASP N N 142 123.416 123.416 127.939 -4.523 19553 1831 1 5 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.744 -0.117 19553 1832 1 5 . 1 1 142 142 ASP C C 142 179.175 179.175 174.988 4.187 19553 1833 1 5 . 1 1 142 142 ASP CA C 142 53.044 53.044 53.820 -0.776 19553 1834 1 5 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.710 -0.969 19553 1835 1 5 . 1 1 142 142 ASP H H 142 8.271 8.271 8.438 -0.167 19553 1836 1 6 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.570 -0.049 19553 1837 1 6 . 1 1 76 76 PRO C C 76 176.427 176.427 175.740 0.687 19553 1838 1 6 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.944 0.113 19553 1839 1 6 . 1 1 76 76 PRO CB C 76 32.361 32.361 31.413 0.948 19553 1840 1 6 . 1 1 77 77 LEU N N 77 122.647 122.647 125.031 -2.384 19553 1841 1 6 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.613 -0.184 19553 1842 1 6 . 1 1 77 77 LEU C C 77 175.532 175.532 176.897 -1.365 19553 1843 1 6 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.426 1.224 19553 1844 1 6 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.267 0.074 19553 1845 1 6 . 1 1 77 77 LEU H H 77 8.571 8.571 7.913 0.658 19553 1846 1 6 . 1 1 78 78 GLY N N 78 110.072 110.072 110.634 -0.562 19553 1847 1 6 . 1 1 78 78 GLY C C 78 179.395 179.395 174.676 4.719 19553 1848 1 6 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.230 0.040 19553 1849 1 6 . 1 1 78 78 GLY H H 78 8.483 8.483 8.495 -0.012 19553 1850 1 6 . 1 1 79 79 SER N N 79 115.122 115.122 114.551 0.571 19553 1851 1 6 . 1 1 79 79 SER HA H 79 4.549 4.549 4.152 0.397 19553 1852 1 6 . 1 1 79 79 SER C C 79 179.859 179.859 173.729 6.130 19553 1853 1 6 . 1 1 79 79 SER CA C 79 58.151 58.151 59.916 -1.765 19553 1854 1 6 . 1 1 79 79 SER CB C 79 64.330 64.330 63.859 0.471 19553 1855 1 6 . 1 1 79 79 SER H H 79 8.151 8.151 7.884 0.267 19553 1856 1 6 . 1 1 80 80 ASP N N 80 122.779 122.779 119.388 3.391 19553 1857 1 6 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.116 -0.363 19553 1858 1 6 . 1 1 80 80 ASP C C 80 178.137 178.137 174.682 3.455 19553 1859 1 6 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.337 0.691 19553 1860 1 6 . 1 1 80 80 ASP CB C 80 41.202 41.202 42.352 -1.150 19553 1861 1 6 . 1 1 80 80 ASP H H 80 8.294 8.294 7.503 0.791 19553 1862 1 6 . 1 1 81 81 LEU N N 81 125.106 125.106 126.958 -1.852 19553 1863 1 6 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.817 -0.334 19553 1864 1 6 . 1 1 81 81 LEU C C 81 178.326 178.326 174.962 3.364 19553 1865 1 6 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.290 0.820 19553 1866 1 6 . 1 1 81 81 LEU CB C 81 42.090 42.090 44.437 -2.347 19553 1867 1 6 . 1 1 81 81 LEU H H 81 8.532 8.532 8.543 -0.011 19553 1868 1 6 . 1 1 82 82 ILE N N 82 120.036 120.036 125.426 -5.390 19553 1869 1 6 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.859 -0.039 19553 1870 1 6 . 1 1 82 82 ILE C C 82 177.782 177.782 175.906 1.876 19553 1871 1 6 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.191 -1.017 19553 1872 1 6 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.289 1.630 19553 1873 1 6 . 1 1 82 82 ILE H H 82 7.848 7.848 8.375 -0.527 19553 1874 1 6 . 1 1 83 83 VAL N N 83 119.733 119.733 120.250 -0.517 19553 1875 1 6 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.735 -0.305 19553 1876 1 6 . 1 1 83 83 VAL C C 83 179.809 179.809 174.424 5.385 19553 1877 1 6 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.450 0.002 19553 1878 1 6 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.984 -0.831 19553 1879 1 6 . 1 1 83 83 VAL H H 83 8.511 8.511 8.791 -0.280 19553 1880 1 6 . 1 1 84 84 HIS N N 84 122.907 122.907 123.522 -0.615 19553 1881 1 6 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.221 0.339 19553 1882 1 6 . 1 1 84 84 HIS C C 84 178.593 178.593 174.826 3.767 19553 1883 1 6 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.407 -0.830 19553 1884 1 6 . 1 1 84 84 HIS CB C 84 30.967 30.967 30.036 0.931 19553 1885 1 6 . 1 1 84 84 HIS H H 84 8.908 8.908 8.815 0.093 19553 1886 1 6 . 1 1 85 85 GLU N N 85 124.766 124.766 125.321 -0.555 19553 1887 1 6 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.575 0.191 19553 1888 1 6 . 1 1 85 85 GLU C C 85 176.641 176.641 177.164 -0.523 19553 1889 1 6 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.933 1.439 19553 1890 1 6 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.800 3.121 19553 1891 1 6 . 1 1 85 85 GLU H H 85 8.979 8.979 9.116 -0.137 19553 1892 1 6 . 1 1 86 86 GLY N N 86 119.987 119.987 115.322 4.665 19553 1893 1 6 . 1 1 86 86 GLY C C 86 178.249 178.249 175.058 3.191 19553 1894 1 6 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.635 1.641 19553 1895 1 6 . 1 1 86 86 GLY H H 86 9.540 9.540 9.073 0.467 19553 1896 1 6 . 1 1 87 87 GLY N N 87 108.242 108.242 105.222 3.020 19553 1897 1 6 . 1 1 87 87 GLY C C 87 179.578 179.578 174.689 4.889 19553 1898 1 6 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.144 -0.203 19553 1899 1 6 . 1 1 87 87 GLY H H 87 8.920 8.920 8.637 0.283 19553 1900 1 6 . 1 1 88 88 LYS N N 88 121.010 121.010 123.258 -2.248 19553 1901 1 6 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.512 0.106 19553 1902 1 6 . 1 1 88 88 LYS C C 88 178.241 178.241 175.728 2.513 19553 1903 1 6 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.212 0.706 19553 1904 1 6 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.027 2.125 19553 1905 1 6 . 1 1 88 88 LYS H H 88 7.858 7.858 7.724 0.134 19553 1906 1 6 . 1 1 89 89 THR N N 89 117.172 117.172 118.208 -1.036 19553 1907 1 6 . 1 1 89 89 THR HA H 89 4.691 4.691 4.883 -0.192 19553 1908 1 6 . 1 1 89 89 THR C C 89 180.192 180.192 174.067 6.125 19553 1909 1 6 . 1 1 89 89 THR CA C 89 61.646 61.646 61.306 0.341 19553 1910 1 6 . 1 1 89 89 THR CB C 89 70.339 70.339 68.626 1.713 19553 1911 1 6 . 1 1 89 89 THR H H 89 8.230 8.230 8.402 -0.172 19553 1912 1 6 . 1 1 90 90 TYR N N 90 123.521 123.521 124.996 -1.475 19553 1913 1 6 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.720 -0.041 19553 1914 1 6 . 1 1 90 90 TYR C C 90 179.282 179.282 174.657 4.625 19553 1915 1 6 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.596 -0.189 19553 1916 1 6 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.249 -1.277 19553 1917 1 6 . 1 1 90 90 TYR H H 90 8.927 8.927 8.978 -0.051 19553 1918 1 6 . 1 1 91 91 HIS N N 91 120.999 120.999 121.848 -0.849 19553 1919 1 6 . 1 1 91 91 HIS HA H 91 5.086 5.086 4.967 0.119 19553 1920 1 6 . 1 1 91 91 HIS C C 91 178.719 178.719 174.571 4.148 19553 1921 1 6 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.765 -0.782 19553 1922 1 6 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.483 -1.991 19553 1923 1 6 . 1 1 91 91 HIS H H 91 8.987 8.987 8.696 0.291 19553 1924 1 6 . 1 1 92 92 VAL N N 92 120.849 120.849 124.909 -4.060 19553 1925 1 6 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.245 0.155 19553 1926 1 6 . 1 1 92 92 VAL C C 92 180.110 180.110 174.054 6.056 19553 1927 1 6 . 1 1 92 92 VAL CA C 92 60.160 60.160 60.836 -0.676 19553 1928 1 6 . 1 1 92 92 VAL CB C 92 34.543 34.543 32.649 1.894 19553 1929 1 6 . 1 1 92 92 VAL H H 92 8.677 8.677 9.073 -0.396 19553 1930 1 6 . 1 1 93 93 VAL N N 93 121.626 121.626 127.035 -5.409 19553 1931 1 6 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.400 -0.219 19553 1932 1 6 . 1 1 93 93 VAL C C 93 178.555 178.555 175.233 3.322 19553 1933 1 6 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.934 -0.387 19553 1934 1 6 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.564 -0.289 19553 1935 1 6 . 1 1 93 93 VAL H H 93 7.997 7.997 8.192 -0.195 19553 1936 1 6 . 1 1 94 94 CYS N N 94 123.035 123.035 125.319 -2.284 19553 1937 1 6 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.375 0.018 19553 1938 1 6 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.223 -4.732 19553 1939 1 6 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.900 14.592 19553 1940 1 6 . 1 1 94 94 CYS H H 94 7.890 7.890 8.186 -0.296 19553 1941 1 6 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.514 -0.081 19553 1942 1 6 . 1 1 95 95 HIS C C 95 179.991 179.991 175.135 4.856 19553 1943 1 6 . 1 1 95 95 HIS CA C 95 55.411 55.411 57.667 -2.256 19553 1944 1 6 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.401 0.874 19553 1945 1 6 . 1 1 96 96 GLU N N 96 117.019 117.019 116.860 0.159 19553 1946 1 6 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.916 -0.075 19553 1947 1 6 . 1 1 96 96 GLU C C 96 178.360 178.360 174.921 3.439 19553 1948 1 6 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.566 -1.125 19553 1949 1 6 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.764 -0.259 19553 1950 1 6 . 1 1 96 96 GLU H H 96 7.623 7.623 8.033 -0.410 19553 1951 1 6 . 1 1 97 97 GLU N N 97 121.779 121.779 120.062 1.717 19553 1952 1 6 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.722 -0.279 19553 1953 1 6 . 1 1 97 97 GLU C C 97 176.658 176.658 176.534 0.124 19553 1954 1 6 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.388 1.544 19553 1955 1 6 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.665 -0.014 19553 1956 1 6 . 1 1 97 97 GLU H H 97 9.280 9.280 8.730 0.550 19553 1957 1 6 . 1 1 98 98 GLY N N 98 109.900 109.900 109.049 0.851 19553 1958 1 6 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.365 -0.089 19553 1959 1 6 . 1 1 98 98 GLY H H 98 8.745 8.745 8.530 0.215 19553 1960 1 6 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.624 0.045 19553 1961 1 6 . 1 1 99 99 PRO C C 99 176.795 176.795 176.074 0.721 19553 1962 1 6 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.245 0.327 19553 1963 1 6 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.726 0.961 19553 1964 1 6 . 1 1 100 100 ILE N N 100 118.686 118.686 118.345 0.341 19553 1965 1 6 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.075 -0.168 19553 1966 1 6 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.447 1.759 19553 1967 1 6 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.262 0.842 19553 1968 1 6 . 1 1 100 100 ILE H H 100 9.748 9.748 8.990 0.758 19553 1969 1 6 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.622 -0.491 19553 1970 1 6 . 1 1 101 101 PRO C C 101 177.525 177.525 176.405 1.120 19553 1971 1 6 . 1 1 101 101 PRO CA C 101 63.083 63.083 63.082 0.001 19553 1972 1 6 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.950 -1.280 19553 1973 1 6 . 1 1 102 102 HIS N N 102 123.222 123.222 119.904 3.318 19553 1974 1 6 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.674 -0.086 19553 1975 1 6 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.183 -1.619 19553 1976 1 6 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.406 -0.536 19553 1977 1 6 . 1 1 102 102 HIS H H 102 8.717 8.717 8.662 0.055 19553 1978 1 6 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.218 0.063 19553 1979 1 6 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.735 -1.260 19553 1980 1 6 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.696 0.290 19553 1981 1 6 . 1 1 104 104 GLY N N 104 106.530 106.530 106.103 0.427 19553 1982 1 6 . 1 1 104 104 GLY C C 104 180.058 180.058 174.057 6.001 19553 1983 1 6 . 1 1 104 104 GLY CA C 104 44.711 44.711 45.023 -0.312 19553 1984 1 6 . 1 1 104 104 GLY H H 104 9.682 9.682 7.979 1.703 19553 1985 1 6 . 1 1 105 105 ASN N N 105 118.099 118.099 119.086 -0.987 19553 1986 1 6 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.849 -0.173 19553 1987 1 6 . 1 1 105 105 ASN C C 105 178.082 178.082 175.743 2.339 19553 1988 1 6 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.401 1.833 19553 1989 1 6 . 1 1 105 105 ASN CB C 105 39.173 39.173 38.317 0.856 19553 1990 1 6 . 1 1 105 105 ASN H H 105 6.870 6.870 7.598 -0.728 19553 1991 1 6 . 1 1 106 106 VAL N N 106 123.752 123.752 118.954 4.798 19553 1992 1 6 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.951 0.628 19553 1993 1 6 . 1 1 106 106 VAL C C 106 178.463 178.463 176.551 1.912 19553 1994 1 6 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.692 -1.379 19553 1995 1 6 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.635 -0.023 19553 1996 1 6 . 1 1 106 106 VAL H H 106 8.774 8.774 8.749 0.025 19553 1997 1 6 . 1 1 107 107 HIS N N 107 116.712 116.712 117.789 -1.077 19553 1998 1 6 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.871 -0.281 19553 1999 1 6 . 1 1 107 107 HIS C C 107 180.421 180.421 175.453 4.968 19553 2000 1 6 . 1 1 107 107 HIS CA C 107 56.649 56.649 56.980 -0.331 19553 2001 1 6 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.080 -1.326 19553 2002 1 6 . 1 1 107 107 HIS H H 107 9.171 9.171 8.546 0.625 19553 2003 1 6 . 1 1 108 108 LYS N N 108 119.379 119.379 117.155 2.224 19553 2004 1 6 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.991 0.127 19553 2005 1 6 . 1 1 108 108 LYS C C 108 181.487 181.487 174.539 6.948 19553 2006 1 6 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.139 -0.581 19553 2007 1 6 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.961 2.388 19553 2008 1 6 . 1 1 108 108 LYS H H 108 7.627 7.627 7.743 -0.116 19553 2009 1 6 . 1 1 109 109 TYR N N 109 114.203 114.203 117.150 -2.947 19553 2010 1 6 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.861 -0.284 19553 2011 1 6 . 1 1 109 109 TYR C C 109 181.588 181.588 172.793 8.795 19553 2012 1 6 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.915 0.452 19553 2013 1 6 . 1 1 109 109 TYR CB C 109 37.795 37.795 40.959 -3.164 19553 2014 1 6 . 1 1 109 109 TYR H H 109 9.006 9.006 9.099 -0.093 19553 2015 1 6 . 1 1 110 110 ILE N N 110 119.840 119.840 117.871 1.969 19553 2016 1 6 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.675 0.010 19553 2017 1 6 . 1 1 110 110 ILE C C 110 178.917 178.917 174.850 4.067 19553 2018 1 6 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.385 -0.145 19553 2019 1 6 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.920 -0.690 19553 2020 1 6 . 1 1 110 110 ILE H H 110 8.764 8.764 9.026 -0.262 19553 2021 1 6 . 1 1 111 111 ILE N N 111 124.346 124.346 125.802 -1.456 19553 2022 1 6 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.369 -0.037 19553 2023 1 6 . 1 1 111 111 ILE C C 111 175.896 175.896 174.674 1.222 19553 2024 1 6 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.243 0.458 19553 2025 1 6 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.452 1.061 19553 2026 1 6 . 1 1 111 111 ILE H H 111 9.032 9.032 8.529 0.503 19553 2027 1 6 . 1 1 112 112 CYS N N 112 128.772 128.772 128.110 0.662 19553 2028 1 6 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.957 0.124 19553 2029 1 6 . 1 1 112 112 CYS C C 112 178.268 178.268 174.390 3.878 19553 2030 1 6 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.501 -1.259 19553 2031 1 6 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.368 16.587 19553 2032 1 6 . 1 1 112 112 CYS H H 112 8.517 8.517 8.854 -0.337 19553 2033 1 6 . 1 1 113 113 SER N N 113 120.988 120.988 119.425 1.563 19553 2034 1 6 . 1 1 113 113 SER HA H 113 4.996 4.996 5.001 -0.005 19553 2035 1 6 . 1 1 113 113 SER C C 113 182.750 182.750 172.551 10.199 19553 2036 1 6 . 1 1 113 113 SER CA C 113 57.517 57.517 57.211 0.306 19553 2037 1 6 . 1 1 113 113 SER CB C 113 65.528 65.528 65.878 -0.350 19553 2038 1 6 . 1 1 113 113 SER H H 113 9.361 9.361 9.288 0.073 19553 2039 1 6 . 1 1 114 114 LYS N N 114 123.657 123.657 128.373 -4.716 19553 2040 1 6 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.393 0.211 19553 2041 1 6 . 1 1 114 114 LYS C C 114 176.524 176.524 176.060 0.464 19553 2042 1 6 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.929 -0.067 19553 2043 1 6 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.228 1.155 19553 2044 1 6 . 1 1 114 114 LYS H H 114 8.899 8.899 9.191 -0.292 19553 2045 1 6 . 1 1 115 115 SER N N 115 119.515 119.515 124.261 -4.746 19553 2046 1 6 . 1 1 115 115 SER HA H 115 4.589 4.589 4.665 -0.076 19553 2047 1 6 . 1 1 115 115 SER C C 115 178.064 178.064 174.833 3.231 19553 2048 1 6 . 1 1 115 115 SER CA C 115 56.468 56.468 57.949 -1.481 19553 2049 1 6 . 1 1 115 115 SER CB C 115 63.236 63.236 61.813 1.423 19553 2050 1 6 . 1 1 115 115 SER H H 115 8.560 8.560 9.075 -0.515 19553 2051 1 6 . 1 1 116 116 GLY N N 116 118.606 118.606 116.038 2.568 19553 2052 1 6 . 1 1 116 116 GLY C C 116 178.577 178.577 174.587 3.990 19553 2053 1 6 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.432 0.515 19553 2054 1 6 . 1 1 116 116 GLY H H 116 9.067 9.067 8.013 1.054 19553 2055 1 6 . 1 1 117 117 SER N N 117 121.443 121.443 118.852 2.591 19553 2056 1 6 . 1 1 117 117 SER HA H 117 4.310 4.310 4.573 -0.263 19553 2057 1 6 . 1 1 117 117 SER C C 117 180.107 180.107 173.018 7.089 19553 2058 1 6 . 1 1 117 117 SER CA C 117 58.416 58.416 58.058 0.358 19553 2059 1 6 . 1 1 117 117 SER CB C 117 63.758 63.758 64.344 -0.586 19553 2060 1 6 . 1 1 117 117 SER H H 117 8.908 8.908 8.307 0.601 19553 2061 1 6 . 1 1 118 118 LEU N N 118 123.028 123.028 123.476 -0.448 19553 2062 1 6 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.664 -0.078 19553 2063 1 6 . 1 1 118 118 LEU C C 118 177.894 177.894 174.341 3.553 19553 2064 1 6 . 1 1 118 118 LEU CA C 118 54.117 54.117 53.803 0.314 19553 2065 1 6 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.704 -0.474 19553 2066 1 6 . 1 1 118 118 LEU H H 118 7.763 7.763 7.226 0.537 19553 2067 1 6 . 1 1 119 119 TRP N N 119 120.523 120.523 125.847 -5.324 19553 2068 1 6 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.030 0.188 19553 2069 1 6 . 1 1 119 119 TRP C C 119 177.735 177.735 175.657 2.078 19553 2070 1 6 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.583 -0.142 19553 2071 1 6 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.481 1.700 19553 2072 1 6 . 1 1 119 119 TRP H H 119 8.102 8.102 8.581 -0.479 19553 2073 1 6 . 1 1 120 120 TYR N N 120 119.365 119.365 124.303 -4.938 19553 2074 1 6 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.842 0.013 19553 2075 1 6 . 1 1 120 120 TYR C C 120 179.683 179.683 174.609 5.074 19553 2076 1 6 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.456 -1.029 19553 2077 1 6 . 1 1 120 120 TYR CB C 120 40.788 40.788 39.937 0.851 19553 2078 1 6 . 1 1 120 120 TYR H H 120 9.495 9.495 9.480 0.015 19553 2079 1 6 . 1 1 121 121 ILE N N 121 111.471 111.471 119.894 -8.423 19553 2080 1 6 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.582 0.113 19553 2081 1 6 . 1 1 121 121 ILE C C 121 177.137 177.137 175.110 2.027 19553 2082 1 6 . 1 1 121 121 ILE CA C 121 58.266 58.266 59.076 -0.810 19553 2083 1 6 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.694 1.497 19553 2084 1 6 . 1 1 121 121 ILE H H 121 8.338 8.338 8.511 -0.173 19553 2085 1 6 . 1 1 122 122 THR N N 122 116.120 116.120 122.237 -6.117 19553 2086 1 6 . 1 1 122 122 THR HA H 122 4.493 4.493 4.613 -0.120 19553 2087 1 6 . 1 1 122 122 THR C C 122 180.251 180.251 172.865 7.386 19553 2088 1 6 . 1 1 122 122 THR CA C 122 61.437 61.437 61.464 -0.027 19553 2089 1 6 . 1 1 122 122 THR CB C 122 71.892 71.892 71.160 0.732 19553 2090 1 6 . 1 1 122 122 THR H H 122 7.796 7.796 8.254 -0.458 19553 2091 1 6 . 1 1 123 123 VAL N N 123 128.072 128.072 128.222 -0.150 19553 2092 1 6 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.491 -0.219 19553 2093 1 6 . 1 1 123 123 VAL C C 123 178.576 178.576 174.740 3.836 19553 2094 1 6 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.179 1.779 19553 2095 1 6 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.208 -0.176 19553 2096 1 6 . 1 1 123 123 VAL H H 123 9.009 9.009 8.608 0.401 19553 2097 1 6 . 1 1 124 124 MET N N 124 127.234 127.234 128.499 -1.265 19553 2098 1 6 . 1 1 124 124 MET HA H 124 5.053 5.053 4.849 0.204 19553 2099 1 6 . 1 1 124 124 MET CA C 124 50.145 50.145 51.202 -1.057 19553 2100 1 6 . 1 1 124 124 MET CB C 124 33.625 33.625 33.465 0.160 19553 2101 1 6 . 1 1 124 124 MET H H 124 8.799 8.799 8.361 0.438 19553 2102 1 6 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.651 0.240 19553 2103 1 6 . 1 1 125 125 PRO C C 125 174.594 174.594 176.175 -1.581 19553 2104 1 6 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.185 -0.621 19553 2105 1 6 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.312 -1.002 19553 2106 1 6 . 1 1 126 126 CYS N N 126 119.444 119.444 123.007 -3.563 19553 2107 1 6 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.562 0.569 19553 2108 1 6 . 1 1 126 126 CYS C C 126 177.425 177.425 175.486 1.939 19553 2109 1 6 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.687 -5.131 19553 2110 1 6 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.130 10.147 19553 2111 1 6 . 1 1 126 126 CYS H H 126 8.355 8.355 8.690 -0.335 19553 2112 1 6 . 1 1 127 127 SER N N 127 117.888 117.888 116.634 1.254 19553 2113 1 6 . 1 1 127 127 SER HA H 127 4.382 4.382 4.361 0.021 19553 2114 1 6 . 1 1 127 127 SER C C 127 178.499 178.499 174.579 3.920 19553 2115 1 6 . 1 1 127 127 SER CA C 127 59.179 59.179 58.694 0.485 19553 2116 1 6 . 1 1 127 127 SER CB C 127 63.503 63.503 63.635 -0.132 19553 2117 1 6 . 1 1 127 127 SER H H 127 8.255 8.255 8.496 -0.241 19553 2118 1 6 . 1 1 128 128 ILE N N 128 125.176 125.176 123.998 1.178 19553 2119 1 6 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.801 0.187 19553 2120 1 6 . 1 1 128 128 ILE C C 128 176.825 176.825 177.363 -0.538 19553 2121 1 6 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.070 0.237 19553 2122 1 6 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.352 0.273 19553 2123 1 6 . 1 1 128 128 ILE H H 128 8.727 8.727 8.518 0.209 19553 2124 1 6 . 1 1 129 129 GLY N N 129 114.581 114.581 115.318 -0.737 19553 2125 1 6 . 1 1 129 129 GLY C C 129 178.928 178.928 174.268 4.660 19553 2126 1 6 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.085 -0.201 19553 2127 1 6 . 1 1 129 129 GLY H H 129 8.888 8.888 8.820 0.068 19553 2128 1 6 . 1 1 130 130 THR N N 130 110.279 110.279 112.625 -2.346 19553 2129 1 6 . 1 1 130 130 THR HA H 130 5.294 5.294 5.057 0.237 19553 2130 1 6 . 1 1 130 130 THR C C 130 180.377 180.377 172.674 7.703 19553 2131 1 6 . 1 1 130 130 THR CA C 130 60.262 60.262 60.072 0.190 19553 2132 1 6 . 1 1 130 130 THR CB C 130 72.701 72.701 72.123 0.578 19553 2133 1 6 . 1 1 130 130 THR H H 130 8.132 8.132 7.704 0.428 19553 2134 1 6 . 1 1 131 131 LYS N N 131 117.394 117.394 117.855 -0.461 19553 2135 1 6 . 1 1 131 131 LYS HA H 131 4.829 4.829 4.987 -0.158 19553 2136 1 6 . 1 1 131 131 LYS C C 131 179.939 179.939 174.435 5.504 19553 2137 1 6 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.457 -0.404 19553 2138 1 6 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.322 -0.377 19553 2139 1 6 . 1 1 131 131 LYS H H 131 9.579 9.579 9.027 0.552 19553 2140 1 6 . 1 1 132 132 PHE N N 132 123.518 123.518 123.365 0.153 19553 2141 1 6 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.796 -0.403 19553 2142 1 6 . 1 1 132 132 PHE C C 132 178.908 178.908 175.524 3.384 19553 2143 1 6 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.472 1.454 19553 2144 1 6 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.276 -0.981 19553 2145 1 6 . 1 1 132 132 PHE H H 132 9.347 9.347 8.794 0.553 19553 2146 1 6 . 1 1 133 133 ASP N N 133 130.494 130.494 128.705 1.789 19553 2147 1 6 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.943 0.033 19553 2148 1 6 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.914 -1.063 19553 2149 1 6 . 1 1 133 133 ASP CB C 133 43.416 43.416 42.863 0.553 19553 2150 1 6 . 1 1 133 133 ASP H H 133 8.091 8.091 8.558 -0.467 19553 2151 1 6 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.497 -0.420 19553 2152 1 6 . 1 1 134 134 PRO C C 134 176.646 176.646 176.745 -0.099 19553 2153 1 6 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.880 -1.244 19553 2154 1 6 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.294 0.506 19553 2155 1 6 . 1 1 135 135 ILE N N 135 118.026 118.026 115.930 2.096 19553 2156 1 6 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.028 -0.128 19553 2157 1 6 . 1 1 135 135 ILE C C 135 175.842 175.842 177.320 -1.478 19553 2158 1 6 . 1 1 135 135 ILE CA C 135 63.390 63.390 61.623 1.767 19553 2159 1 6 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.551 -1.635 19553 2160 1 6 . 1 1 135 135 ILE H H 135 7.844 7.844 7.485 0.359 19553 2161 1 6 . 1 1 136 136 SER N N 136 113.845 113.845 113.846 -0.001 19553 2162 1 6 . 1 1 136 136 SER HA H 136 4.144 4.144 4.229 -0.085 19553 2163 1 6 . 1 1 136 136 SER C C 136 178.752 178.752 174.398 4.354 19553 2164 1 6 . 1 1 136 136 SER CA C 136 59.461 59.461 60.059 -0.598 19553 2165 1 6 . 1 1 136 136 SER CB C 136 63.840 63.840 63.784 0.056 19553 2166 1 6 . 1 1 136 136 SER H H 136 7.779 7.779 8.905 -1.126 19553 2167 1 6 . 1 1 137 137 ARG N N 137 116.720 116.720 115.648 1.072 19553 2168 1 6 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.765 -0.534 19553 2169 1 6 . 1 1 137 137 ARG C C 137 180.002 180.002 174.197 5.805 19553 2170 1 6 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.354 0.756 19553 2171 1 6 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.245 -1.042 19553 2172 1 6 . 1 1 137 137 ARG H H 137 7.935 7.935 7.939 -0.004 19553 2173 1 6 . 1 1 138 138 ASN N N 138 113.845 113.845 112.421 1.424 19553 2174 1 6 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.639 0.062 19553 2175 1 6 . 1 1 138 138 ASN C C 138 179.580 179.580 172.359 7.221 19553 2176 1 6 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.640 -0.828 19553 2177 1 6 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.702 1.043 19553 2178 1 6 . 1 1 138 138 ASN H H 138 6.857 6.857 6.938 -0.081 19553 2179 1 6 . 1 1 139 139 CYS N N 139 120.168 120.168 118.397 1.771 19553 2180 1 6 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.278 -0.058 19553 2181 1 6 . 1 1 139 139 CYS C C 139 178.616 178.616 175.110 3.506 19553 2182 1 6 . 1 1 139 139 CYS CA C 139 56.188 56.188 57.944 -1.756 19553 2183 1 6 . 1 1 139 139 CYS CB C 139 40.808 40.808 26.767 14.041 19553 2184 1 6 . 1 1 139 139 CYS H H 139 8.519 8.519 8.496 0.023 19553 2185 1 6 . 1 1 140 140 VAL N N 140 119.928 119.928 119.581 0.347 19553 2186 1 6 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.526 0.141 19553 2187 1 6 . 1 1 140 140 VAL C C 140 178.299 178.299 174.820 3.479 19553 2188 1 6 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.669 -0.531 19553 2189 1 6 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.445 0.957 19553 2190 1 6 . 1 1 140 140 VAL H H 140 9.531 9.531 9.323 0.208 19553 2191 1 6 . 1 1 141 141 LEU N N 141 121.749 121.749 122.457 -0.708 19553 2192 1 6 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.151 -0.142 19553 2193 1 6 . 1 1 141 141 LEU C C 141 176.847 176.847 176.172 0.675 19553 2194 1 6 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.437 1.405 19553 2195 1 6 . 1 1 141 141 LEU CB C 141 42.202 42.202 40.899 1.303 19553 2196 1 6 . 1 1 141 141 LEU H H 141 8.363 8.363 8.531 -0.168 19553 2197 1 6 . 1 1 142 142 ASP N N 142 123.416 123.416 128.389 -4.973 19553 2198 1 6 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.529 0.098 19553 2199 1 6 . 1 1 142 142 ASP C C 142 179.175 179.175 174.993 4.182 19553 2200 1 6 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.664 -1.620 19553 2201 1 6 . 1 1 142 142 ASP CB C 142 40.741 40.741 40.444 0.297 19553 2202 1 6 . 1 1 142 142 ASP H H 142 8.271 8.271 8.146 0.125 19553 2203 1 7 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.560 -0.039 19553 2204 1 7 . 1 1 76 76 PRO C C 76 176.427 176.427 177.432 -1.005 19553 2205 1 7 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.591 0.466 19553 2206 1 7 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.342 0.020 19553 2207 1 7 . 1 1 77 77 LEU N N 77 122.647 122.647 121.404 1.243 19553 2208 1 7 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.326 0.103 19553 2209 1 7 . 1 1 77 77 LEU C C 77 175.532 175.532 177.561 -2.029 19553 2210 1 7 . 1 1 77 77 LEU CA C 77 55.650 55.650 55.092 0.558 19553 2211 1 7 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.462 -0.122 19553 2212 1 7 . 1 1 77 77 LEU H H 77 8.571 8.571 8.688 -0.117 19553 2213 1 7 . 1 1 78 78 GLY N N 78 110.072 110.072 104.203 5.869 19553 2214 1 7 . 1 1 78 78 GLY C C 78 179.395 179.395 174.823 4.572 19553 2215 1 7 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.794 -0.524 19553 2216 1 7 . 1 1 78 78 GLY H H 78 8.483 8.483 8.525 -0.042 19553 2217 1 7 . 1 1 79 79 SER N N 79 115.122 115.122 114.663 0.459 19553 2218 1 7 . 1 1 79 79 SER HA H 79 4.549 4.549 3.948 0.601 19553 2219 1 7 . 1 1 79 79 SER C C 79 179.859 179.859 173.299 6.560 19553 2220 1 7 . 1 1 79 79 SER CA C 79 58.151 58.151 59.413 -1.262 19553 2221 1 7 . 1 1 79 79 SER CB C 79 64.330 64.330 63.306 1.024 19553 2222 1 7 . 1 1 79 79 SER H H 79 8.151 8.151 8.097 0.054 19553 2223 1 7 . 1 1 80 80 ASP N N 80 122.779 122.779 119.209 3.570 19553 2224 1 7 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.121 -0.368 19553 2225 1 7 . 1 1 80 80 ASP C C 80 178.137 178.137 174.757 3.380 19553 2226 1 7 . 1 1 80 80 ASP CA C 80 54.028 54.028 52.863 1.165 19553 2227 1 7 . 1 1 80 80 ASP CB C 80 41.202 41.202 43.265 -2.063 19553 2228 1 7 . 1 1 80 80 ASP H H 80 8.294 8.294 7.559 0.735 19553 2229 1 7 . 1 1 81 81 LEU N N 81 125.106 125.106 124.067 1.039 19553 2230 1 7 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.766 -0.283 19553 2231 1 7 . 1 1 81 81 LEU C C 81 178.326 178.326 174.834 3.492 19553 2232 1 7 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.669 0.442 19553 2233 1 7 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.339 -3.249 19553 2234 1 7 . 1 1 81 81 LEU H H 81 8.532 8.532 8.925 -0.393 19553 2235 1 7 . 1 1 82 82 ILE N N 82 120.036 120.036 124.833 -4.797 19553 2236 1 7 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.755 0.065 19553 2237 1 7 . 1 1 82 82 ILE C C 82 177.782 177.782 175.913 1.869 19553 2238 1 7 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.331 -1.157 19553 2239 1 7 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.477 1.442 19553 2240 1 7 . 1 1 82 82 ILE H H 82 7.848 7.848 8.366 -0.518 19553 2241 1 7 . 1 1 83 83 VAL N N 83 119.733 119.733 121.016 -1.283 19553 2242 1 7 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.625 -0.195 19553 2243 1 7 . 1 1 83 83 VAL C C 83 179.809 179.809 174.010 5.799 19553 2244 1 7 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.522 -0.069 19553 2245 1 7 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.863 -0.710 19553 2246 1 7 . 1 1 83 83 VAL H H 83 8.511 8.511 8.796 -0.285 19553 2247 1 7 . 1 1 84 84 HIS N N 84 122.907 122.907 120.321 2.586 19553 2248 1 7 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.386 0.174 19553 2249 1 7 . 1 1 84 84 HIS C C 84 178.593 178.593 174.809 3.784 19553 2250 1 7 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.401 -0.824 19553 2251 1 7 . 1 1 84 84 HIS CB C 84 30.967 30.967 29.854 1.113 19553 2252 1 7 . 1 1 84 84 HIS H H 84 8.908 8.908 8.648 0.260 19553 2253 1 7 . 1 1 85 85 GLU N N 85 124.766 124.766 125.141 -0.375 19553 2254 1 7 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.321 0.445 19553 2255 1 7 . 1 1 85 85 GLU C C 85 176.641 176.641 177.163 -0.522 19553 2256 1 7 . 1 1 85 85 GLU CA C 85 56.372 56.372 55.174 1.198 19553 2257 1 7 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.220 3.701 19553 2258 1 7 . 1 1 85 85 GLU H H 85 8.979 8.979 9.114 -0.135 19553 2259 1 7 . 1 1 86 86 GLY N N 86 119.987 119.987 115.103 4.884 19553 2260 1 7 . 1 1 86 86 GLY C C 86 178.249 178.249 174.717 3.532 19553 2261 1 7 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.374 1.902 19553 2262 1 7 . 1 1 86 86 GLY H H 86 9.540 9.540 8.405 1.135 19553 2263 1 7 . 1 1 87 87 GLY N N 87 108.242 108.242 104.350 3.892 19553 2264 1 7 . 1 1 87 87 GLY C C 87 179.578 179.578 174.424 5.154 19553 2265 1 7 . 1 1 87 87 GLY CA C 87 44.941 44.941 44.867 0.074 19553 2266 1 7 . 1 1 87 87 GLY H H 87 8.920 8.920 7.996 0.924 19553 2267 1 7 . 1 1 88 88 LYS N N 88 121.010 121.010 123.978 -2.968 19553 2268 1 7 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.658 -0.040 19553 2269 1 7 . 1 1 88 88 LYS C C 88 178.241 178.241 175.945 2.296 19553 2270 1 7 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.859 0.058 19553 2271 1 7 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.194 1.958 19553 2272 1 7 . 1 1 88 88 LYS H H 88 7.858 7.858 7.790 0.068 19553 2273 1 7 . 1 1 89 89 THR N N 89 117.172 117.172 116.422 0.750 19553 2274 1 7 . 1 1 89 89 THR HA H 89 4.691 4.691 4.973 -0.282 19553 2275 1 7 . 1 1 89 89 THR C C 89 180.192 180.192 174.302 5.890 19553 2276 1 7 . 1 1 89 89 THR CA C 89 61.646 61.646 61.908 -0.262 19553 2277 1 7 . 1 1 89 89 THR CB C 89 70.339 70.339 69.135 1.204 19553 2278 1 7 . 1 1 89 89 THR H H 89 8.230 8.230 8.400 -0.170 19553 2279 1 7 . 1 1 90 90 TYR N N 90 123.521 123.521 125.828 -2.307 19553 2280 1 7 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.774 -0.095 19553 2281 1 7 . 1 1 90 90 TYR C C 90 179.282 179.282 174.823 4.459 19553 2282 1 7 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.393 0.014 19553 2283 1 7 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.477 -1.505 19553 2284 1 7 . 1 1 90 90 TYR H H 90 8.927 8.927 8.929 -0.002 19553 2285 1 7 . 1 1 91 91 HIS N N 91 120.999 120.999 120.589 0.410 19553 2286 1 7 . 1 1 91 91 HIS HA H 91 5.086 5.086 4.793 0.293 19553 2287 1 7 . 1 1 91 91 HIS C C 91 178.719 178.719 174.835 3.884 19553 2288 1 7 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.442 -0.459 19553 2289 1 7 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.747 -2.255 19553 2290 1 7 . 1 1 91 91 HIS H H 91 8.987 8.987 8.637 0.350 19553 2291 1 7 . 1 1 92 92 VAL N N 92 120.849 120.849 124.431 -3.582 19553 2292 1 7 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.240 0.160 19553 2293 1 7 . 1 1 92 92 VAL C C 92 180.110 180.110 173.883 6.227 19553 2294 1 7 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.572 -1.412 19553 2295 1 7 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.458 1.085 19553 2296 1 7 . 1 1 92 92 VAL H H 92 8.677 8.677 8.873 -0.196 19553 2297 1 7 . 1 1 93 93 VAL N N 93 121.626 121.626 126.515 -4.889 19553 2298 1 7 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.515 -0.334 19553 2299 1 7 . 1 1 93 93 VAL C C 93 178.555 178.555 175.339 3.216 19553 2300 1 7 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.020 0.527 19553 2301 1 7 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.255 0.020 19553 2302 1 7 . 1 1 93 93 VAL H H 93 7.997 7.997 8.316 -0.319 19553 2303 1 7 . 1 1 94 94 CYS N N 94 123.035 123.035 125.551 -2.516 19553 2304 1 7 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.498 -0.105 19553 2305 1 7 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.193 -4.702 19553 2306 1 7 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.677 14.815 19553 2307 1 7 . 1 1 94 94 CYS H H 94 7.890 7.890 8.440 -0.550 19553 2308 1 7 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.482 -0.049 19553 2309 1 7 . 1 1 95 95 HIS C C 95 179.991 179.991 174.418 5.573 19553 2310 1 7 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.397 -0.986 19553 2311 1 7 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.821 0.454 19553 2312 1 7 . 1 1 96 96 GLU N N 96 117.019 117.019 118.553 -1.534 19553 2313 1 7 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.686 0.155 19553 2314 1 7 . 1 1 96 96 GLU C C 96 178.360 178.360 175.760 2.600 19553 2315 1 7 . 1 1 96 96 GLU CA C 96 54.440 54.440 54.879 -0.439 19553 2316 1 7 . 1 1 96 96 GLU CB C 96 32.505 32.505 31.642 0.863 19553 2317 1 7 . 1 1 96 96 GLU H H 96 7.623 7.623 7.986 -0.363 19553 2318 1 7 . 1 1 97 97 GLU N N 97 121.779 121.779 123.266 -1.487 19553 2319 1 7 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.382 0.061 19553 2320 1 7 . 1 1 97 97 GLU C C 97 176.658 176.658 176.514 0.144 19553 2321 1 7 . 1 1 97 97 GLU CA C 97 57.932 57.932 57.039 0.893 19553 2322 1 7 . 1 1 97 97 GLU CB C 97 30.651 30.651 29.455 1.196 19553 2323 1 7 . 1 1 97 97 GLU H H 97 9.280 9.280 8.841 0.439 19553 2324 1 7 . 1 1 98 98 GLY N N 98 109.900 109.900 112.139 -2.239 19553 2325 1 7 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.671 -0.395 19553 2326 1 7 . 1 1 98 98 GLY H H 98 8.745 8.745 8.376 0.369 19553 2327 1 7 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.474 0.195 19553 2328 1 7 . 1 1 99 99 PRO C C 99 176.795 176.795 175.940 0.855 19553 2329 1 7 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.648 -0.077 19553 2330 1 7 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.773 0.914 19553 2331 1 7 . 1 1 100 100 ILE N N 100 118.686 118.686 117.556 1.130 19553 2332 1 7 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.129 -0.222 19553 2333 1 7 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.117 2.089 19553 2334 1 7 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.170 0.934 19553 2335 1 7 . 1 1 100 100 ILE H H 100 9.748 9.748 8.898 0.850 19553 2336 1 7 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.625 -0.494 19553 2337 1 7 . 1 1 101 101 PRO C C 101 177.525 177.525 176.396 1.129 19553 2338 1 7 . 1 1 101 101 PRO CA C 101 63.083 63.083 63.081 0.002 19553 2339 1 7 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.911 -1.241 19553 2340 1 7 . 1 1 102 102 HIS N N 102 123.222 123.222 119.858 3.364 19553 2341 1 7 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.715 -0.127 19553 2342 1 7 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.124 -1.560 19553 2343 1 7 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.526 -0.656 19553 2344 1 7 . 1 1 102 102 HIS H H 102 8.717 8.717 8.681 0.036 19553 2345 1 7 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.289 -0.008 19553 2346 1 7 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.327 -0.852 19553 2347 1 7 . 1 1 103 103 PRO CB C 103 31.986 31.986 32.132 -0.146 19553 2348 1 7 . 1 1 104 104 GLY N N 104 106.530 106.530 107.896 -1.366 19553 2349 1 7 . 1 1 104 104 GLY C C 104 180.058 180.058 173.871 6.187 19553 2350 1 7 . 1 1 104 104 GLY CA C 104 44.711 44.711 45.233 -0.523 19553 2351 1 7 . 1 1 104 104 GLY H H 104 9.682 9.682 7.544 2.138 19553 2352 1 7 . 1 1 105 105 ASN N N 105 118.099 118.099 117.404 0.695 19553 2353 1 7 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.903 -0.227 19553 2354 1 7 . 1 1 105 105 ASN C C 105 178.082 178.082 176.176 1.906 19553 2355 1 7 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.987 1.247 19553 2356 1 7 . 1 1 105 105 ASN CB C 105 39.173 39.173 40.538 -1.365 19553 2357 1 7 . 1 1 105 105 ASN H H 105 6.870 6.870 8.103 -1.233 19553 2358 1 7 . 1 1 106 106 VAL N N 106 123.752 123.752 117.464 6.288 19553 2359 1 7 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.838 0.741 19553 2360 1 7 . 1 1 106 106 VAL C C 106 178.463 178.463 176.293 2.170 19553 2361 1 7 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.408 -1.095 19553 2362 1 7 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.469 0.143 19553 2363 1 7 . 1 1 106 106 VAL H H 106 8.774 8.774 8.741 0.033 19553 2364 1 7 . 1 1 107 107 HIS N N 107 116.712 116.712 118.414 -1.702 19553 2365 1 7 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.867 -0.277 19553 2366 1 7 . 1 1 107 107 HIS C C 107 180.421 180.421 175.450 4.971 19553 2367 1 7 . 1 1 107 107 HIS CA C 107 56.649 56.649 58.001 -1.352 19553 2368 1 7 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.506 -1.752 19553 2369 1 7 . 1 1 107 107 HIS H H 107 9.171 9.171 7.748 1.423 19553 2370 1 7 . 1 1 108 108 LYS N N 108 119.379 119.379 117.331 2.048 19553 2371 1 7 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.991 0.127 19553 2372 1 7 . 1 1 108 108 LYS C C 108 181.487 181.487 174.666 6.821 19553 2373 1 7 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.173 -0.615 19553 2374 1 7 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.717 2.632 19553 2375 1 7 . 1 1 108 108 LYS H H 108 7.627 7.627 7.720 -0.093 19553 2376 1 7 . 1 1 109 109 TYR N N 109 114.203 114.203 117.275 -3.072 19553 2377 1 7 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.901 -0.324 19553 2378 1 7 . 1 1 109 109 TYR C C 109 181.588 181.588 172.857 8.731 19553 2379 1 7 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.784 0.583 19553 2380 1 7 . 1 1 109 109 TYR CB C 109 37.795 37.795 40.980 -3.185 19553 2381 1 7 . 1 1 109 109 TYR H H 109 9.006 9.006 9.201 -0.195 19553 2382 1 7 . 1 1 110 110 ILE N N 110 119.840 119.840 117.863 1.977 19553 2383 1 7 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.602 0.083 19553 2384 1 7 . 1 1 110 110 ILE C C 110 178.917 178.917 174.863 4.054 19553 2385 1 7 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.400 -0.160 19553 2386 1 7 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.727 -0.497 19553 2387 1 7 . 1 1 110 110 ILE H H 110 8.764 8.764 9.052 -0.288 19553 2388 1 7 . 1 1 111 111 ILE N N 111 124.346 124.346 126.514 -2.168 19553 2389 1 7 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.439 -0.107 19553 2390 1 7 . 1 1 111 111 ILE C C 111 175.896 175.896 174.792 1.104 19553 2391 1 7 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.266 0.435 19553 2392 1 7 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.227 1.286 19553 2393 1 7 . 1 1 111 111 ILE H H 111 9.032 9.032 8.648 0.384 19553 2394 1 7 . 1 1 112 112 CYS N N 112 128.772 128.772 128.688 0.084 19553 2395 1 7 . 1 1 112 112 CYS HA H 112 5.081 5.081 5.208 -0.127 19553 2396 1 7 . 1 1 112 112 CYS C C 112 178.268 178.268 174.561 3.707 19553 2397 1 7 . 1 1 112 112 CYS CA C 112 57.242 57.242 57.955 -0.713 19553 2398 1 7 . 1 1 112 112 CYS CB C 112 43.955 43.955 28.057 15.898 19553 2399 1 7 . 1 1 112 112 CYS H H 112 8.517 8.517 8.362 0.155 19553 2400 1 7 . 1 1 113 113 SER N N 113 120.988 120.988 120.387 0.601 19553 2401 1 7 . 1 1 113 113 SER HA H 113 4.996 4.996 4.819 0.177 19553 2402 1 7 . 1 1 113 113 SER C C 113 182.750 182.750 172.507 10.243 19553 2403 1 7 . 1 1 113 113 SER CA C 113 57.517 57.517 57.249 0.268 19553 2404 1 7 . 1 1 113 113 SER CB C 113 65.528 65.528 65.859 -0.331 19553 2405 1 7 . 1 1 113 113 SER H H 113 9.361 9.361 9.460 -0.099 19553 2406 1 7 . 1 1 114 114 LYS N N 114 123.657 123.657 126.755 -3.098 19553 2407 1 7 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.023 0.581 19553 2408 1 7 . 1 1 114 114 LYS C C 114 176.524 176.524 176.301 0.223 19553 2409 1 7 . 1 1 114 114 LYS CA C 114 54.862 54.862 55.265 -0.403 19553 2410 1 7 . 1 1 114 114 LYS CB C 114 34.383 34.383 32.676 1.707 19553 2411 1 7 . 1 1 114 114 LYS H H 114 8.899 8.899 8.654 0.245 19553 2412 1 7 . 1 1 115 115 SER N N 115 119.515 119.515 125.149 -5.634 19553 2413 1 7 . 1 1 115 115 SER HA H 115 4.589 4.589 4.657 -0.068 19553 2414 1 7 . 1 1 115 115 SER C C 115 178.064 178.064 174.559 3.505 19553 2415 1 7 . 1 1 115 115 SER CA C 115 56.468 56.468 56.812 -0.344 19553 2416 1 7 . 1 1 115 115 SER CB C 115 63.236 63.236 61.891 1.345 19553 2417 1 7 . 1 1 115 115 SER H H 115 8.560 8.560 8.983 -0.423 19553 2418 1 7 . 1 1 116 116 GLY N N 116 118.606 118.606 115.365 3.241 19553 2419 1 7 . 1 1 116 116 GLY C C 116 178.577 178.577 174.536 4.041 19553 2420 1 7 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.406 0.541 19553 2421 1 7 . 1 1 116 116 GLY H H 116 9.067 9.067 7.995 1.072 19553 2422 1 7 . 1 1 117 117 SER N N 117 121.443 121.443 119.349 2.094 19553 2423 1 7 . 1 1 117 117 SER HA H 117 4.310 4.310 4.576 -0.266 19553 2424 1 7 . 1 1 117 117 SER C C 117 180.107 180.107 174.196 5.911 19553 2425 1 7 . 1 1 117 117 SER CA C 117 58.416 58.416 58.040 0.376 19553 2426 1 7 . 1 1 117 117 SER CB C 117 63.758 63.758 64.196 -0.438 19553 2427 1 7 . 1 1 117 117 SER H H 117 8.908 8.908 8.312 0.596 19553 2428 1 7 . 1 1 118 118 LEU N N 118 123.028 123.028 124.813 -1.785 19553 2429 1 7 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.595 -0.009 19553 2430 1 7 . 1 1 118 118 LEU C C 118 177.894 177.894 174.825 3.069 19553 2431 1 7 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.282 -0.165 19553 2432 1 7 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.334 -0.104 19553 2433 1 7 . 1 1 118 118 LEU H H 118 7.763 7.763 7.473 0.290 19553 2434 1 7 . 1 1 119 119 TRP N N 119 120.523 120.523 123.957 -3.434 19553 2435 1 7 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.167 0.051 19553 2436 1 7 . 1 1 119 119 TRP C C 119 177.735 177.735 176.177 1.558 19553 2437 1 7 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.457 -0.016 19553 2438 1 7 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.642 1.539 19553 2439 1 7 . 1 1 119 119 TRP H H 119 8.102 8.102 8.712 -0.610 19553 2440 1 7 . 1 1 120 120 TYR N N 120 119.365 119.365 122.774 -3.409 19553 2441 1 7 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.802 0.053 19553 2442 1 7 . 1 1 120 120 TYR C C 120 179.683 179.683 174.552 5.131 19553 2443 1 7 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.630 -1.203 19553 2444 1 7 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.306 0.482 19553 2445 1 7 . 1 1 120 120 TYR H H 120 9.495 9.495 9.478 0.017 19553 2446 1 7 . 1 1 121 121 ILE N N 121 111.471 111.471 118.926 -7.455 19553 2447 1 7 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.635 0.060 19553 2448 1 7 . 1 1 121 121 ILE C C 121 177.137 177.137 175.566 1.571 19553 2449 1 7 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.157 0.109 19553 2450 1 7 . 1 1 121 121 ILE CB C 121 43.191 43.191 42.099 1.092 19553 2451 1 7 . 1 1 121 121 ILE H H 121 8.338 8.338 8.470 -0.132 19553 2452 1 7 . 1 1 122 122 THR N N 122 116.120 116.120 118.151 -2.031 19553 2453 1 7 . 1 1 122 122 THR HA H 122 4.493 4.493 4.504 -0.011 19553 2454 1 7 . 1 1 122 122 THR C C 122 180.251 180.251 172.435 7.816 19553 2455 1 7 . 1 1 122 122 THR CA C 122 61.437 61.437 62.007 -0.570 19553 2456 1 7 . 1 1 122 122 THR CB C 122 71.892 71.892 71.046 0.846 19553 2457 1 7 . 1 1 122 122 THR H H 122 7.796 7.796 8.490 -0.694 19553 2458 1 7 . 1 1 123 123 VAL N N 123 128.072 128.072 127.334 0.738 19553 2459 1 7 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.413 -0.141 19553 2460 1 7 . 1 1 123 123 VAL C C 123 178.576 178.576 174.647 3.929 19553 2461 1 7 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.393 1.565 19553 2462 1 7 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.784 -0.752 19553 2463 1 7 . 1 1 123 123 VAL H H 123 9.009 9.009 8.561 0.448 19553 2464 1 7 . 1 1 124 124 MET N N 124 127.234 127.234 128.944 -1.710 19553 2465 1 7 . 1 1 124 124 MET HA H 124 5.053 5.053 4.870 0.183 19553 2466 1 7 . 1 1 124 124 MET CA C 124 50.145 50.145 51.358 -1.213 19553 2467 1 7 . 1 1 124 124 MET CB C 124 33.625 33.625 34.209 -0.584 19553 2468 1 7 . 1 1 124 124 MET H H 124 8.799 8.799 8.466 0.333 19553 2469 1 7 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.774 0.117 19553 2470 1 7 . 1 1 125 125 PRO C C 125 174.594 174.594 176.210 -1.616 19553 2471 1 7 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.005 -0.441 19553 2472 1 7 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.643 -1.333 19553 2473 1 7 . 1 1 126 126 CYS N N 126 119.444 119.444 121.861 -2.417 19553 2474 1 7 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.561 0.570 19553 2475 1 7 . 1 1 126 126 CYS C C 126 177.425 177.425 175.762 1.663 19553 2476 1 7 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.916 -5.360 19553 2477 1 7 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.363 9.914 19553 2478 1 7 . 1 1 126 126 CYS H H 126 8.355 8.355 8.833 -0.478 19553 2479 1 7 . 1 1 127 127 SER N N 127 117.888 117.888 116.478 1.410 19553 2480 1 7 . 1 1 127 127 SER HA H 127 4.382 4.382 4.416 -0.034 19553 2481 1 7 . 1 1 127 127 SER C C 127 178.499 178.499 174.631 3.868 19553 2482 1 7 . 1 1 127 127 SER CA C 127 59.179 59.179 58.588 0.591 19553 2483 1 7 . 1 1 127 127 SER CB C 127 63.503 63.503 63.767 -0.265 19553 2484 1 7 . 1 1 127 127 SER H H 127 8.255 8.255 8.574 -0.319 19553 2485 1 7 . 1 1 128 128 ILE N N 128 125.176 125.176 123.004 2.172 19553 2486 1 7 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.891 0.097 19553 2487 1 7 . 1 1 128 128 ILE C C 128 176.825 176.825 177.216 -0.391 19553 2488 1 7 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.167 0.140 19553 2489 1 7 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.387 0.238 19553 2490 1 7 . 1 1 128 128 ILE H H 128 8.727 8.727 8.570 0.157 19553 2491 1 7 . 1 1 129 129 GLY N N 129 114.581 114.581 115.297 -0.716 19553 2492 1 7 . 1 1 129 129 GLY C C 129 178.928 178.928 174.358 4.570 19553 2493 1 7 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.067 -0.183 19553 2494 1 7 . 1 1 129 129 GLY H H 129 8.888 8.888 8.491 0.397 19553 2495 1 7 . 1 1 130 130 THR N N 130 110.279 110.279 112.621 -2.342 19553 2496 1 7 . 1 1 130 130 THR HA H 130 5.294 5.294 5.398 -0.104 19553 2497 1 7 . 1 1 130 130 THR C C 130 180.377 180.377 173.033 7.344 19553 2498 1 7 . 1 1 130 130 THR CA C 130 60.262 60.262 60.222 0.040 19553 2499 1 7 . 1 1 130 130 THR CB C 130 72.701 72.701 72.355 0.346 19553 2500 1 7 . 1 1 130 130 THR H H 130 8.132 8.132 8.034 0.098 19553 2501 1 7 . 1 1 131 131 LYS N N 131 117.394 117.394 118.153 -0.759 19553 2502 1 7 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.105 -0.276 19553 2503 1 7 . 1 1 131 131 LYS C C 131 179.939 179.939 174.573 5.366 19553 2504 1 7 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.512 -0.459 19553 2505 1 7 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.162 -0.217 19553 2506 1 7 . 1 1 131 131 LYS H H 131 9.579 9.579 9.072 0.507 19553 2507 1 7 . 1 1 132 132 PHE N N 132 123.518 123.518 123.711 -0.193 19553 2508 1 7 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.852 -0.459 19553 2509 1 7 . 1 1 132 132 PHE C C 132 178.908 178.908 175.030 3.878 19553 2510 1 7 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.675 1.252 19553 2511 1 7 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.657 -1.362 19553 2512 1 7 . 1 1 132 132 PHE H H 132 9.347 9.347 8.996 0.351 19553 2513 1 7 . 1 1 133 133 ASP N N 133 130.494 130.494 127.079 3.415 19553 2514 1 7 . 1 1 133 133 ASP HA H 133 4.976 4.976 5.009 -0.033 19553 2515 1 7 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.491 -0.640 19553 2516 1 7 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.386 0.030 19553 2517 1 7 . 1 1 133 133 ASP H H 133 8.091 8.091 8.268 -0.177 19553 2518 1 7 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.517 -0.440 19553 2519 1 7 . 1 1 134 134 PRO C C 134 176.646 176.646 177.619 -0.973 19553 2520 1 7 . 1 1 134 134 PRO CA C 134 63.636 63.636 65.075 -1.439 19553 2521 1 7 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.588 0.212 19553 2522 1 7 . 1 1 135 135 ILE N N 135 118.026 118.026 117.877 0.149 19553 2523 1 7 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.018 -0.118 19553 2524 1 7 . 1 1 135 135 ILE C C 135 175.842 175.842 177.975 -2.133 19553 2525 1 7 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.302 1.088 19553 2526 1 7 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.288 -1.372 19553 2527 1 7 . 1 1 135 135 ILE H H 135 7.844 7.844 7.563 0.281 19553 2528 1 7 . 1 1 136 136 SER N N 136 113.845 113.845 115.818 -1.973 19553 2529 1 7 . 1 1 136 136 SER HA H 136 4.144 4.144 4.264 -0.120 19553 2530 1 7 . 1 1 136 136 SER C C 136 178.752 178.752 174.737 4.015 19553 2531 1 7 . 1 1 136 136 SER CA C 136 59.461 59.461 59.385 0.076 19553 2532 1 7 . 1 1 136 136 SER CB C 136 63.840 63.840 64.600 -0.760 19553 2533 1 7 . 1 1 136 136 SER H H 136 7.779 7.779 8.959 -1.180 19553 2534 1 7 . 1 1 137 137 ARG N N 137 116.720 116.720 118.800 -2.080 19553 2535 1 7 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.755 -0.524 19553 2536 1 7 . 1 1 137 137 ARG C C 137 180.002 180.002 174.060 5.942 19553 2537 1 7 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.456 0.654 19553 2538 1 7 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.731 -1.528 19553 2539 1 7 . 1 1 137 137 ARG H H 137 7.935 7.935 7.913 0.022 19553 2540 1 7 . 1 1 138 138 ASN N N 138 113.845 113.845 112.866 0.979 19553 2541 1 7 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.588 0.113 19553 2542 1 7 . 1 1 138 138 ASN C C 138 179.580 179.580 172.380 7.200 19553 2543 1 7 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.559 -0.747 19553 2544 1 7 . 1 1 138 138 ASN CB C 138 41.745 41.745 41.244 0.501 19553 2545 1 7 . 1 1 138 138 ASN H H 138 6.857 6.857 6.912 -0.055 19553 2546 1 7 . 1 1 139 139 CYS N N 139 120.168 120.168 120.032 0.136 19553 2547 1 7 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.208 0.012 19553 2548 1 7 . 1 1 139 139 CYS C C 139 178.616 178.616 175.369 3.247 19553 2549 1 7 . 1 1 139 139 CYS CA C 139 56.188 56.188 57.986 -1.798 19553 2550 1 7 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.205 13.603 19553 2551 1 7 . 1 1 139 139 CYS H H 139 8.519 8.519 8.487 0.032 19553 2552 1 7 . 1 1 140 140 VAL N N 140 119.928 119.928 119.843 0.085 19553 2553 1 7 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.595 0.072 19553 2554 1 7 . 1 1 140 140 VAL C C 140 178.299 178.299 175.062 3.237 19553 2555 1 7 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.482 -0.344 19553 2556 1 7 . 1 1 140 140 VAL CB C 140 35.402 35.402 33.961 1.441 19553 2557 1 7 . 1 1 140 140 VAL H H 140 9.531 9.531 9.228 0.303 19553 2558 1 7 . 1 1 141 141 LEU N N 141 121.749 121.749 122.020 -0.271 19553 2559 1 7 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.202 -0.193 19553 2560 1 7 . 1 1 141 141 LEU C C 141 176.847 176.847 176.536 0.311 19553 2561 1 7 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.634 1.208 19553 2562 1 7 . 1 1 141 141 LEU CB C 141 42.202 42.202 39.969 2.233 19553 2563 1 7 . 1 1 141 141 LEU H H 141 8.363 8.363 8.549 -0.186 19553 2564 1 7 . 1 1 142 142 ASP N N 142 123.416 123.416 127.677 -4.261 19553 2565 1 7 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.700 -0.073 19553 2566 1 7 . 1 1 142 142 ASP C C 142 179.175 179.175 174.602 4.573 19553 2567 1 7 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.277 -1.233 19553 2568 1 7 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.718 -0.977 19553 2569 1 7 . 1 1 142 142 ASP H H 142 8.271 8.271 8.384 -0.113 19553 2570 1 8 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.760 -0.239 19553 2571 1 8 . 1 1 76 76 PRO C C 76 176.427 176.427 175.666 0.761 19553 2572 1 8 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.321 0.736 19553 2573 1 8 . 1 1 76 76 PRO CB C 76 32.361 32.361 33.014 -0.653 19553 2574 1 8 . 1 1 77 77 LEU N N 77 122.647 122.647 117.019 5.628 19553 2575 1 8 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.843 -0.414 19553 2576 1 8 . 1 1 77 77 LEU C C 77 175.532 175.532 177.992 -2.460 19553 2577 1 8 . 1 1 77 77 LEU CA C 77 55.650 55.650 53.653 1.997 19553 2578 1 8 . 1 1 77 77 LEU CB C 77 42.341 42.341 40.788 1.553 19553 2579 1 8 . 1 1 77 77 LEU H H 77 8.571 8.571 8.518 0.053 19553 2580 1 8 . 1 1 78 78 GLY N N 78 110.072 110.072 111.765 -1.693 19553 2581 1 8 . 1 1 78 78 GLY C C 78 179.395 179.395 175.222 4.173 19553 2582 1 8 . 1 1 78 78 GLY CA C 78 45.270 45.270 46.345 -1.075 19553 2583 1 8 . 1 1 78 78 GLY H H 78 8.483 8.483 8.678 -0.195 19553 2584 1 8 . 1 1 79 79 SER N N 79 115.122 115.122 117.842 -2.720 19553 2585 1 8 . 1 1 79 79 SER HA H 79 4.549 4.549 4.328 0.221 19553 2586 1 8 . 1 1 79 79 SER C C 79 179.859 179.859 173.162 6.697 19553 2587 1 8 . 1 1 79 79 SER CA C 79 58.151 58.151 59.604 -1.453 19553 2588 1 8 . 1 1 79 79 SER CB C 79 64.330 64.330 63.706 0.625 19553 2589 1 8 . 1 1 79 79 SER H H 79 8.151 8.151 8.054 0.097 19553 2590 1 8 . 1 1 80 80 ASP N N 80 122.779 122.779 119.582 3.197 19553 2591 1 8 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.050 -0.297 19553 2592 1 8 . 1 1 80 80 ASP C C 80 178.137 178.137 174.253 3.884 19553 2593 1 8 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.290 0.738 19553 2594 1 8 . 1 1 80 80 ASP CB C 80 41.202 41.202 43.255 -2.053 19553 2595 1 8 . 1 1 80 80 ASP H H 80 8.294 8.294 7.579 0.715 19553 2596 1 8 . 1 1 81 81 LEU N N 81 125.106 125.106 127.106 -2.000 19553 2597 1 8 . 1 1 81 81 LEU HA H 81 4.483 4.483 5.001 -0.518 19553 2598 1 8 . 1 1 81 81 LEU C C 81 178.326 178.326 174.557 3.769 19553 2599 1 8 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.628 0.482 19553 2600 1 8 . 1 1 81 81 LEU CB C 81 42.090 42.090 44.855 -2.765 19553 2601 1 8 . 1 1 81 81 LEU H H 81 8.532 8.532 8.450 0.082 19553 2602 1 8 . 1 1 82 82 ILE N N 82 120.036 120.036 125.676 -5.640 19553 2603 1 8 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.794 0.026 19553 2604 1 8 . 1 1 82 82 ILE C C 82 177.782 177.782 175.902 1.880 19553 2605 1 8 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.297 -1.123 19553 2606 1 8 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.248 1.671 19553 2607 1 8 . 1 1 82 82 ILE H H 82 7.848 7.848 8.357 -0.509 19553 2608 1 8 . 1 1 83 83 VAL N N 83 119.733 119.733 120.984 -1.251 19553 2609 1 8 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.747 -0.317 19553 2610 1 8 . 1 1 83 83 VAL C C 83 179.809 179.809 174.026 5.783 19553 2611 1 8 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.206 0.247 19553 2612 1 8 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.672 -0.519 19553 2613 1 8 . 1 1 83 83 VAL H H 83 8.511 8.511 8.916 -0.405 19553 2614 1 8 . 1 1 84 84 HIS N N 84 122.907 122.907 120.865 2.042 19553 2615 1 8 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.305 0.255 19553 2616 1 8 . 1 1 84 84 HIS C C 84 178.593 178.593 174.985 3.608 19553 2617 1 8 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.236 -0.659 19553 2618 1 8 . 1 1 84 84 HIS CB C 84 30.967 30.967 31.053 -0.086 19553 2619 1 8 . 1 1 84 84 HIS H H 84 8.908 8.908 8.588 0.321 19553 2620 1 8 . 1 1 85 85 GLU N N 85 124.766 124.766 125.985 -1.219 19553 2621 1 8 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.602 0.164 19553 2622 1 8 . 1 1 85 85 GLU C C 85 176.641 176.641 177.278 -0.637 19553 2623 1 8 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.902 1.470 19553 2624 1 8 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.318 3.603 19553 2625 1 8 . 1 1 85 85 GLU H H 85 8.979 8.979 9.118 -0.139 19553 2626 1 8 . 1 1 86 86 GLY N N 86 119.987 119.987 114.120 5.867 19553 2627 1 8 . 1 1 86 86 GLY C C 86 178.249 178.249 174.516 3.733 19553 2628 1 8 . 1 1 86 86 GLY CA C 86 47.276 47.276 46.464 0.812 19553 2629 1 8 . 1 1 86 86 GLY H H 86 9.540 9.540 8.877 0.663 19553 2630 1 8 . 1 1 87 87 GLY N N 87 108.242 108.242 106.017 2.225 19553 2631 1 8 . 1 1 87 87 GLY C C 87 179.578 179.578 174.266 5.312 19553 2632 1 8 . 1 1 87 87 GLY CA C 87 44.941 44.941 44.899 0.042 19553 2633 1 8 . 1 1 87 87 GLY H H 87 8.920 8.920 8.319 0.601 19553 2634 1 8 . 1 1 88 88 LYS N N 88 121.010 121.010 123.376 -2.366 19553 2635 1 8 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.534 0.084 19553 2636 1 8 . 1 1 88 88 LYS C C 88 178.241 178.241 175.752 2.489 19553 2637 1 8 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.166 0.751 19553 2638 1 8 . 1 1 88 88 LYS CB C 88 35.152 35.152 32.961 2.191 19553 2639 1 8 . 1 1 88 88 LYS H H 88 7.858 7.858 7.755 0.103 19553 2640 1 8 . 1 1 89 89 THR N N 89 117.172 117.172 119.382 -2.210 19553 2641 1 8 . 1 1 89 89 THR HA H 89 4.691 4.691 4.860 -0.169 19553 2642 1 8 . 1 1 89 89 THR C C 89 180.192 180.192 173.869 6.323 19553 2643 1 8 . 1 1 89 89 THR CA C 89 61.646 61.646 61.571 0.075 19553 2644 1 8 . 1 1 89 89 THR CB C 89 70.339 70.339 68.436 1.903 19553 2645 1 8 . 1 1 89 89 THR H H 89 8.230 8.230 8.423 -0.193 19553 2646 1 8 . 1 1 90 90 TYR N N 90 123.521 123.521 126.386 -2.865 19553 2647 1 8 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.703 -0.024 19553 2648 1 8 . 1 1 90 90 TYR C C 90 179.282 179.282 174.997 4.285 19553 2649 1 8 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.985 -0.578 19553 2650 1 8 . 1 1 90 90 TYR CB C 90 40.972 40.972 41.258 -0.286 19553 2651 1 8 . 1 1 90 90 TYR H H 90 8.927 8.927 8.612 0.315 19553 2652 1 8 . 1 1 91 91 HIS N N 91 120.999 120.999 120.777 0.222 19553 2653 1 8 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.037 0.049 19553 2654 1 8 . 1 1 91 91 HIS C C 91 178.719 178.719 174.697 4.022 19553 2655 1 8 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.603 -0.620 19553 2656 1 8 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.910 -2.418 19553 2657 1 8 . 1 1 91 91 HIS H H 91 8.987 8.987 8.676 0.311 19553 2658 1 8 . 1 1 92 92 VAL N N 92 120.849 120.849 124.054 -3.205 19553 2659 1 8 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.257 0.143 19553 2660 1 8 . 1 1 92 92 VAL C C 92 180.110 180.110 174.143 5.967 19553 2661 1 8 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.040 -0.880 19553 2662 1 8 . 1 1 92 92 VAL CB C 92 34.543 34.543 32.733 1.810 19553 2663 1 8 . 1 1 92 92 VAL H H 92 8.677 8.677 9.121 -0.444 19553 2664 1 8 . 1 1 93 93 VAL N N 93 121.626 121.626 127.138 -5.512 19553 2665 1 8 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.428 -0.247 19553 2666 1 8 . 1 1 93 93 VAL C C 93 178.555 178.555 175.639 2.916 19553 2667 1 8 . 1 1 93 93 VAL CA C 93 60.547 60.547 61.328 -0.781 19553 2668 1 8 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.475 -0.200 19553 2669 1 8 . 1 1 93 93 VAL H H 93 7.997 7.997 8.306 -0.309 19553 2670 1 8 . 1 1 94 94 CYS N N 94 123.035 123.035 127.013 -3.978 19553 2671 1 8 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.660 -0.268 19553 2672 1 8 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.901 -5.410 19553 2673 1 8 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.695 14.797 19553 2674 1 8 . 1 1 94 94 CYS H H 94 7.890 7.890 8.520 -0.630 19553 2675 1 8 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.406 0.027 19553 2676 1 8 . 1 1 95 95 HIS C C 95 179.991 179.991 174.336 5.655 19553 2677 1 8 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.465 -1.054 19553 2678 1 8 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.444 0.831 19553 2679 1 8 . 1 1 96 96 GLU N N 96 117.019 117.019 117.784 -0.765 19553 2680 1 8 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.455 0.386 19553 2681 1 8 . 1 1 96 96 GLU C C 96 178.360 178.360 174.833 3.527 19553 2682 1 8 . 1 1 96 96 GLU CA C 96 54.440 54.440 54.881 -0.441 19553 2683 1 8 . 1 1 96 96 GLU CB C 96 32.505 32.505 31.910 0.595 19553 2684 1 8 . 1 1 96 96 GLU H H 96 7.623 7.623 7.813 -0.190 19553 2685 1 8 . 1 1 97 97 GLU N N 97 121.779 121.779 121.585 0.194 19553 2686 1 8 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.532 -0.089 19553 2687 1 8 . 1 1 97 97 GLU C C 97 176.658 176.658 176.110 0.548 19553 2688 1 8 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.804 1.128 19553 2689 1 8 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.484 0.167 19553 2690 1 8 . 1 1 97 97 GLU H H 97 9.280 9.280 8.780 0.500 19553 2691 1 8 . 1 1 98 98 GLY N N 98 109.900 109.900 111.750 -1.850 19553 2692 1 8 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.369 -0.093 19553 2693 1 8 . 1 1 98 98 GLY H H 98 8.745 8.745 8.582 0.163 19553 2694 1 8 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.636 0.033 19553 2695 1 8 . 1 1 99 99 PRO C C 99 176.795 176.795 175.922 0.873 19553 2696 1 8 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.281 0.290 19553 2697 1 8 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.839 0.848 19553 2698 1 8 . 1 1 100 100 ILE N N 100 118.686 118.686 117.330 1.356 19553 2699 1 8 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.072 -0.165 19553 2700 1 8 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.557 1.649 19553 2701 1 8 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.431 0.673 19553 2702 1 8 . 1 1 100 100 ILE H H 100 9.748 9.748 9.010 0.738 19553 2703 1 8 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.634 -0.503 19553 2704 1 8 . 1 1 101 101 PRO C C 101 177.525 177.525 176.406 1.119 19553 2705 1 8 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.960 0.123 19553 2706 1 8 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.958 -1.288 19553 2707 1 8 . 1 1 102 102 HIS N N 102 123.222 123.222 119.394 3.828 19553 2708 1 8 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.702 -0.114 19553 2709 1 8 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.344 -1.780 19553 2710 1 8 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.175 -0.305 19553 2711 1 8 . 1 1 102 102 HIS H H 102 8.717 8.717 8.659 0.058 19553 2712 1 8 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.250 0.031 19553 2713 1 8 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.130 -0.655 19553 2714 1 8 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.824 0.162 19553 2715 1 8 . 1 1 104 104 GLY N N 104 106.530 106.530 106.166 0.364 19553 2716 1 8 . 1 1 104 104 GLY C C 104 180.058 180.058 173.367 6.691 19553 2717 1 8 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.208 0.503 19553 2718 1 8 . 1 1 104 104 GLY H H 104 9.682 9.682 7.403 2.279 19553 2719 1 8 . 1 1 105 105 ASN N N 105 118.099 118.099 117.386 0.713 19553 2720 1 8 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.809 -0.133 19553 2721 1 8 . 1 1 105 105 ASN C C 105 178.082 178.082 175.193 2.889 19553 2722 1 8 . 1 1 105 105 ASN CA C 105 53.234 53.234 52.320 0.914 19553 2723 1 8 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.119 0.054 19553 2724 1 8 . 1 1 105 105 ASN H H 105 6.870 6.870 7.537 -0.667 19553 2725 1 8 . 1 1 106 106 VAL N N 106 123.752 123.752 119.160 4.592 19553 2726 1 8 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.766 0.813 19553 2727 1 8 . 1 1 106 106 VAL C C 106 178.463 178.463 176.087 2.376 19553 2728 1 8 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.766 -1.453 19553 2729 1 8 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.163 0.449 19553 2730 1 8 . 1 1 106 106 VAL H H 106 8.774 8.774 8.544 0.230 19553 2731 1 8 . 1 1 107 107 HIS N N 107 116.712 116.712 117.832 -1.120 19553 2732 1 8 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.995 -0.405 19553 2733 1 8 . 1 1 107 107 HIS C C 107 180.421 180.421 175.511 4.910 19553 2734 1 8 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.070 -0.421 19553 2735 1 8 . 1 1 107 107 HIS CB C 107 27.754 27.754 28.322 -0.568 19553 2736 1 8 . 1 1 107 107 HIS H H 107 9.171 9.171 8.379 0.792 19553 2737 1 8 . 1 1 108 108 LYS N N 108 119.379 119.379 117.362 2.017 19553 2738 1 8 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.741 0.377 19553 2739 1 8 . 1 1 108 108 LYS C C 108 181.487 181.487 174.387 7.100 19553 2740 1 8 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.433 -0.875 19553 2741 1 8 . 1 1 108 108 LYS CB C 108 39.349 39.349 37.444 1.905 19553 2742 1 8 . 1 1 108 108 LYS H H 108 7.627 7.627 7.759 -0.132 19553 2743 1 8 . 1 1 109 109 TYR N N 109 114.203 114.203 117.212 -3.009 19553 2744 1 8 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.912 -0.335 19553 2745 1 8 . 1 1 109 109 TYR C C 109 181.588 181.588 172.918 8.670 19553 2746 1 8 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.888 0.479 19553 2747 1 8 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.118 -3.323 19553 2748 1 8 . 1 1 109 109 TYR H H 109 9.006 9.006 9.140 -0.134 19553 2749 1 8 . 1 1 110 110 ILE N N 110 119.840 119.840 117.678 2.162 19553 2750 1 8 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.715 -0.030 19553 2751 1 8 . 1 1 110 110 ILE C C 110 178.917 178.917 174.764 4.153 19553 2752 1 8 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.503 -0.263 19553 2753 1 8 . 1 1 110 110 ILE CB C 110 41.230 41.230 42.380 -1.150 19553 2754 1 8 . 1 1 110 110 ILE H H 110 8.764 8.764 9.038 -0.274 19553 2755 1 8 . 1 1 111 111 ILE N N 111 124.346 124.346 125.325 -0.979 19553 2756 1 8 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.418 -0.086 19553 2757 1 8 . 1 1 111 111 ILE C C 111 175.896 175.896 174.473 1.423 19553 2758 1 8 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.075 0.625 19553 2759 1 8 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.771 0.742 19553 2760 1 8 . 1 1 111 111 ILE H H 111 9.032 9.032 8.618 0.414 19553 2761 1 8 . 1 1 112 112 CYS N N 112 128.772 128.772 127.799 0.973 19553 2762 1 8 . 1 1 112 112 CYS HA H 112 5.081 5.081 5.051 0.030 19553 2763 1 8 . 1 1 112 112 CYS C C 112 178.268 178.268 174.256 4.012 19553 2764 1 8 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.123 -0.881 19553 2765 1 8 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.828 16.127 19553 2766 1 8 . 1 1 112 112 CYS H H 112 8.517 8.517 8.663 -0.146 19553 2767 1 8 . 1 1 113 113 SER N N 113 120.988 120.988 119.453 1.535 19553 2768 1 8 . 1 1 113 113 SER HA H 113 4.996 4.996 4.954 0.042 19553 2769 1 8 . 1 1 113 113 SER C C 113 182.750 182.750 172.346 10.404 19553 2770 1 8 . 1 1 113 113 SER CA C 113 57.517 57.517 57.396 0.121 19553 2771 1 8 . 1 1 113 113 SER CB C 113 65.528 65.528 65.680 -0.152 19553 2772 1 8 . 1 1 113 113 SER H H 113 9.361 9.361 9.285 0.076 19553 2773 1 8 . 1 1 114 114 LYS N N 114 123.657 123.657 127.930 -4.273 19553 2774 1 8 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.116 0.488 19553 2775 1 8 . 1 1 114 114 LYS C C 114 176.524 176.524 175.771 0.753 19553 2776 1 8 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.902 -0.040 19553 2777 1 8 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.176 1.207 19553 2778 1 8 . 1 1 114 114 LYS H H 114 8.899 8.899 9.072 -0.173 19553 2779 1 8 . 1 1 115 115 SER N N 115 119.515 119.515 124.351 -4.836 19553 2780 1 8 . 1 1 115 115 SER HA H 115 4.589 4.589 4.528 0.061 19553 2781 1 8 . 1 1 115 115 SER C C 115 178.064 178.064 174.956 3.108 19553 2782 1 8 . 1 1 115 115 SER CA C 115 56.468 56.468 57.887 -1.419 19553 2783 1 8 . 1 1 115 115 SER CB C 115 63.236 63.236 62.773 0.463 19553 2784 1 8 . 1 1 115 115 SER H H 115 8.560 8.560 8.875 -0.315 19553 2785 1 8 . 1 1 116 116 GLY N N 116 118.606 118.606 117.862 0.744 19553 2786 1 8 . 1 1 116 116 GLY C C 116 178.577 178.577 175.219 3.358 19553 2787 1 8 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.829 0.118 19553 2788 1 8 . 1 1 116 116 GLY H H 116 9.067 9.067 8.387 0.680 19553 2789 1 8 . 1 1 117 117 SER N N 117 121.443 121.443 119.554 1.889 19553 2790 1 8 . 1 1 117 117 SER HA H 117 4.310 4.310 4.818 -0.508 19553 2791 1 8 . 1 1 117 117 SER C C 117 180.107 180.107 173.572 6.535 19553 2792 1 8 . 1 1 117 117 SER CA C 117 58.416 58.416 57.870 0.546 19553 2793 1 8 . 1 1 117 117 SER CB C 117 63.758 63.758 63.989 -0.230 19553 2794 1 8 . 1 1 117 117 SER H H 117 8.908 8.908 8.253 0.655 19553 2795 1 8 . 1 1 118 118 LEU N N 118 123.028 123.028 122.522 0.506 19553 2796 1 8 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.757 -0.171 19553 2797 1 8 . 1 1 118 118 LEU C C 118 177.894 177.894 173.938 3.956 19553 2798 1 8 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.433 -0.316 19553 2799 1 8 . 1 1 118 118 LEU CB C 118 44.230 44.230 45.481 -1.251 19553 2800 1 8 . 1 1 118 118 LEU H H 118 7.763 7.763 7.653 0.110 19553 2801 1 8 . 1 1 119 119 TRP N N 119 120.523 120.523 124.124 -3.601 19553 2802 1 8 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.125 0.093 19553 2803 1 8 . 1 1 119 119 TRP C C 119 177.735 177.735 175.997 1.738 19553 2804 1 8 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.898 -0.457 19553 2805 1 8 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.550 1.631 19553 2806 1 8 . 1 1 119 119 TRP H H 119 8.102 8.102 8.316 -0.214 19553 2807 1 8 . 1 1 120 120 TYR N N 120 119.365 119.365 123.769 -4.404 19553 2808 1 8 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.827 0.028 19553 2809 1 8 . 1 1 120 120 TYR C C 120 179.683 179.683 174.544 5.139 19553 2810 1 8 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.428 -1.001 19553 2811 1 8 . 1 1 120 120 TYR CB C 120 40.788 40.788 41.064 -0.276 19553 2812 1 8 . 1 1 120 120 TYR H H 120 9.495 9.495 9.458 0.037 19553 2813 1 8 . 1 1 121 121 ILE N N 121 111.471 111.471 119.201 -7.730 19553 2814 1 8 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.644 0.051 19553 2815 1 8 . 1 1 121 121 ILE C C 121 177.137 177.137 175.178 1.959 19553 2816 1 8 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.961 -0.695 19553 2817 1 8 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.842 1.349 19553 2818 1 8 . 1 1 121 121 ILE H H 121 8.338 8.338 8.475 -0.137 19553 2819 1 8 . 1 1 122 122 THR N N 122 116.120 116.120 121.295 -5.175 19553 2820 1 8 . 1 1 122 122 THR HA H 122 4.493 4.493 4.666 -0.173 19553 2821 1 8 . 1 1 122 122 THR C C 122 180.251 180.251 172.807 7.444 19553 2822 1 8 . 1 1 122 122 THR CA C 122 61.437 61.437 61.551 -0.114 19553 2823 1 8 . 1 1 122 122 THR CB C 122 71.892 71.892 71.368 0.524 19553 2824 1 8 . 1 1 122 122 THR H H 122 7.796 7.796 8.337 -0.541 19553 2825 1 8 . 1 1 123 123 VAL N N 123 128.072 128.072 128.111 -0.039 19553 2826 1 8 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.422 -0.150 19553 2827 1 8 . 1 1 123 123 VAL C C 123 178.576 178.576 174.942 3.634 19553 2828 1 8 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.217 1.741 19553 2829 1 8 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.492 -0.460 19553 2830 1 8 . 1 1 123 123 VAL H H 123 9.009 9.009 8.606 0.403 19553 2831 1 8 . 1 1 124 124 MET N N 124 127.234 127.234 128.355 -1.121 19553 2832 1 8 . 1 1 124 124 MET HA H 124 5.053 5.053 4.901 0.152 19553 2833 1 8 . 1 1 124 124 MET CA C 124 50.145 50.145 51.078 -0.933 19553 2834 1 8 . 1 1 124 124 MET CB C 124 33.625 33.625 33.474 0.151 19553 2835 1 8 . 1 1 124 124 MET H H 124 8.799 8.799 8.336 0.463 19553 2836 1 8 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.639 0.252 19553 2837 1 8 . 1 1 125 125 PRO C C 125 174.594 174.594 176.098 -1.504 19553 2838 1 8 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.090 -0.526 19553 2839 1 8 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.650 -1.340 19553 2840 1 8 . 1 1 126 126 CYS N N 126 119.444 119.444 120.703 -1.259 19553 2841 1 8 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.709 0.422 19553 2842 1 8 . 1 1 126 126 CYS C C 126 177.425 177.425 175.607 1.818 19553 2843 1 8 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.628 -5.072 19553 2844 1 8 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.358 9.919 19553 2845 1 8 . 1 1 126 126 CYS H H 126 8.355 8.355 8.580 -0.225 19553 2846 1 8 . 1 1 127 127 SER N N 127 117.888 117.888 116.710 1.178 19553 2847 1 8 . 1 1 127 127 SER HA H 127 4.382 4.382 4.416 -0.034 19553 2848 1 8 . 1 1 127 127 SER C C 127 178.499 178.499 174.609 3.890 19553 2849 1 8 . 1 1 127 127 SER CA C 127 59.179 59.179 58.654 0.525 19553 2850 1 8 . 1 1 127 127 SER CB C 127 63.503 63.503 63.773 -0.270 19553 2851 1 8 . 1 1 127 127 SER H H 127 8.255 8.255 8.545 -0.290 19553 2852 1 8 . 1 1 128 128 ILE N N 128 125.176 125.176 122.957 2.219 19553 2853 1 8 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.902 0.086 19553 2854 1 8 . 1 1 128 128 ILE C C 128 176.825 176.825 177.366 -0.541 19553 2855 1 8 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.106 0.201 19553 2856 1 8 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.447 0.178 19553 2857 1 8 . 1 1 128 128 ILE H H 128 8.727 8.727 8.531 0.196 19553 2858 1 8 . 1 1 129 129 GLY N N 129 114.581 114.581 114.977 -0.396 19553 2859 1 8 . 1 1 129 129 GLY C C 129 178.928 178.928 174.356 4.572 19553 2860 1 8 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.156 -0.272 19553 2861 1 8 . 1 1 129 129 GLY H H 129 8.888 8.888 8.479 0.409 19553 2862 1 8 . 1 1 130 130 THR N N 130 110.279 110.279 112.499 -2.220 19553 2863 1 8 . 1 1 130 130 THR HA H 130 5.294 5.294 5.564 -0.270 19553 2864 1 8 . 1 1 130 130 THR C C 130 180.377 180.377 173.025 7.352 19553 2865 1 8 . 1 1 130 130 THR CA C 130 60.262 60.262 60.020 0.242 19553 2866 1 8 . 1 1 130 130 THR CB C 130 72.701 72.701 72.454 0.247 19553 2867 1 8 . 1 1 130 130 THR H H 130 8.132 8.132 7.972 0.160 19553 2868 1 8 . 1 1 131 131 LYS N N 131 117.394 117.394 118.551 -1.157 19553 2869 1 8 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.036 -0.207 19553 2870 1 8 . 1 1 131 131 LYS C C 131 179.939 179.939 174.429 5.510 19553 2871 1 8 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.870 -0.817 19553 2872 1 8 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.239 -0.294 19553 2873 1 8 . 1 1 131 131 LYS H H 131 9.579 9.579 9.037 0.542 19553 2874 1 8 . 1 1 132 132 PHE N N 132 123.518 123.518 123.861 -0.343 19553 2875 1 8 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.983 -0.590 19553 2876 1 8 . 1 1 132 132 PHE C C 132 178.908 178.908 174.917 3.991 19553 2877 1 8 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.503 1.423 19553 2878 1 8 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.825 -1.530 19553 2879 1 8 . 1 1 132 132 PHE H H 132 9.347 9.347 8.955 0.392 19553 2880 1 8 . 1 1 133 133 ASP N N 133 130.494 130.494 127.000 3.494 19553 2881 1 8 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.974 0.002 19553 2882 1 8 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.333 -0.482 19553 2883 1 8 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.202 0.214 19553 2884 1 8 . 1 1 133 133 ASP H H 133 8.091 8.091 8.276 -0.185 19553 2885 1 8 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.525 -0.448 19553 2886 1 8 . 1 1 134 134 PRO C C 134 176.646 176.646 177.178 -0.532 19553 2887 1 8 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.992 -1.356 19553 2888 1 8 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.486 0.314 19553 2889 1 8 . 1 1 135 135 ILE N N 135 118.026 118.026 117.320 0.706 19553 2890 1 8 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.013 -0.113 19553 2891 1 8 . 1 1 135 135 ILE C C 135 175.842 175.842 178.150 -2.308 19553 2892 1 8 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.737 0.653 19553 2893 1 8 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.137 -1.221 19553 2894 1 8 . 1 1 135 135 ILE H H 135 7.844 7.844 7.458 0.386 19553 2895 1 8 . 1 1 136 136 SER N N 136 113.845 113.845 116.131 -2.286 19553 2896 1 8 . 1 1 136 136 SER HA H 136 4.144 4.144 4.224 -0.080 19553 2897 1 8 . 1 1 136 136 SER C C 136 178.752 178.752 174.839 3.913 19553 2898 1 8 . 1 1 136 136 SER CA C 136 59.461 59.461 59.732 -0.271 19553 2899 1 8 . 1 1 136 136 SER CB C 136 63.840 63.840 64.300 -0.460 19553 2900 1 8 . 1 1 136 136 SER H H 136 7.779 7.779 9.038 -1.259 19553 2901 1 8 . 1 1 137 137 ARG N N 137 116.720 116.720 117.606 -0.886 19553 2902 1 8 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.715 -0.484 19553 2903 1 8 . 1 1 137 137 ARG C C 137 180.002 180.002 174.003 5.999 19553 2904 1 8 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.345 0.765 19553 2905 1 8 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.716 -1.513 19553 2906 1 8 . 1 1 137 137 ARG H H 137 7.935 7.935 7.906 0.029 19553 2907 1 8 . 1 1 138 138 ASN N N 138 113.845 113.845 113.668 0.177 19553 2908 1 8 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.703 -0.002 19553 2909 1 8 . 1 1 138 138 ASN C C 138 179.580 179.580 172.544 7.036 19553 2910 1 8 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.748 -0.936 19553 2911 1 8 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.360 1.385 19553 2912 1 8 . 1 1 138 138 ASN H H 138 6.857 6.857 7.000 -0.143 19553 2913 1 8 . 1 1 139 139 CYS N N 139 120.168 120.168 117.943 2.225 19553 2914 1 8 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.050 0.170 19553 2915 1 8 . 1 1 139 139 CYS C C 139 178.616 178.616 175.136 3.480 19553 2916 1 8 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.698 -2.510 19553 2917 1 8 . 1 1 139 139 CYS CB C 139 40.808 40.808 26.878 13.931 19553 2918 1 8 . 1 1 139 139 CYS H H 139 8.519 8.519 8.338 0.181 19553 2919 1 8 . 1 1 140 140 VAL N N 140 119.928 119.928 121.533 -1.605 19553 2920 1 8 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.497 0.170 19553 2921 1 8 . 1 1 140 140 VAL C C 140 178.299 178.299 174.943 3.356 19553 2922 1 8 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.306 -0.168 19553 2923 1 8 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.218 1.183 19553 2924 1 8 . 1 1 140 140 VAL H H 140 9.531 9.531 9.062 0.469 19553 2925 1 8 . 1 1 141 141 LEU N N 141 121.749 121.749 124.496 -2.747 19553 2926 1 8 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.191 -0.182 19553 2927 1 8 . 1 1 141 141 LEU C C 141 176.847 176.847 176.330 0.517 19553 2928 1 8 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.589 1.254 19553 2929 1 8 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.480 0.722 19553 2930 1 8 . 1 1 141 141 LEU H H 141 8.363 8.363 8.547 -0.184 19553 2931 1 8 . 1 1 142 142 ASP N N 142 123.416 123.416 128.013 -4.597 19553 2932 1 8 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.647 -0.020 19553 2933 1 8 . 1 1 142 142 ASP C C 142 179.175 179.175 175.288 3.887 19553 2934 1 8 . 1 1 142 142 ASP CA C 142 53.044 53.044 53.760 -0.716 19553 2935 1 8 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.767 -1.026 19553 2936 1 8 . 1 1 142 142 ASP H H 142 8.271 8.271 8.727 -0.456 19553 2937 1 9 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.636 -0.115 19553 2938 1 9 . 1 1 76 76 PRO C C 76 176.427 176.427 176.596 -0.169 19553 2939 1 9 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.379 0.678 19553 2940 1 9 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.737 -0.376 19553 2941 1 9 . 1 1 77 77 LEU N N 77 122.647 122.647 119.074 3.573 19553 2942 1 9 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.385 0.044 19553 2943 1 9 . 1 1 77 77 LEU C C 77 175.532 175.532 178.228 -2.696 19553 2944 1 9 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.541 1.109 19553 2945 1 9 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.825 -0.484 19553 2946 1 9 . 1 1 77 77 LEU H H 77 8.571 8.571 7.991 0.580 19553 2947 1 9 . 1 1 78 78 GLY N N 78 110.072 110.072 105.717 4.355 19553 2948 1 9 . 1 1 78 78 GLY C C 78 179.395 179.395 175.245 4.150 19553 2949 1 9 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.573 -0.303 19553 2950 1 9 . 1 1 78 78 GLY H H 78 8.483 8.483 8.521 -0.038 19553 2951 1 9 . 1 1 79 79 SER N N 79 115.122 115.122 116.409 -1.287 19553 2952 1 9 . 1 1 79 79 SER HA H 79 4.549 4.549 4.075 0.474 19553 2953 1 9 . 1 1 79 79 SER C C 79 179.859 179.859 173.400 6.459 19553 2954 1 9 . 1 1 79 79 SER CA C 79 58.151 58.151 60.560 -2.409 19553 2955 1 9 . 1 1 79 79 SER CB C 79 64.330 64.330 63.345 0.985 19553 2956 1 9 . 1 1 79 79 SER H H 79 8.151 8.151 8.280 -0.129 19553 2957 1 9 . 1 1 80 80 ASP N N 80 122.779 122.779 119.007 3.772 19553 2958 1 9 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.295 -0.542 19553 2959 1 9 . 1 1 80 80 ASP C C 80 178.137 178.137 174.701 3.436 19553 2960 1 9 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.033 0.995 19553 2961 1 9 . 1 1 80 80 ASP CB C 80 41.202 41.202 42.141 -0.939 19553 2962 1 9 . 1 1 80 80 ASP H H 80 8.294 8.294 7.709 0.585 19553 2963 1 9 . 1 1 81 81 LEU N N 81 125.106 125.106 126.596 -1.490 19553 2964 1 9 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.761 -0.278 19553 2965 1 9 . 1 1 81 81 LEU C C 81 178.326 178.326 174.971 3.355 19553 2966 1 9 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.236 0.874 19553 2967 1 9 . 1 1 81 81 LEU CB C 81 42.090 42.090 44.520 -2.430 19553 2968 1 9 . 1 1 81 81 LEU H H 81 8.532 8.532 8.074 0.458 19553 2969 1 9 . 1 1 82 82 ILE N N 82 120.036 120.036 125.085 -5.049 19553 2970 1 9 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.720 0.100 19553 2971 1 9 . 1 1 82 82 ILE C C 82 177.782 177.782 176.016 1.766 19553 2972 1 9 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.221 -1.047 19553 2973 1 9 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.002 1.917 19553 2974 1 9 . 1 1 82 82 ILE H H 82 7.848 7.848 8.294 -0.446 19553 2975 1 9 . 1 1 83 83 VAL N N 83 119.733 119.733 121.326 -1.593 19553 2976 1 9 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.589 -0.159 19553 2977 1 9 . 1 1 83 83 VAL C C 83 179.809 179.809 174.099 5.710 19553 2978 1 9 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.410 0.042 19553 2979 1 9 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.316 -0.163 19553 2980 1 9 . 1 1 83 83 VAL H H 83 8.511 8.511 8.914 -0.403 19553 2981 1 9 . 1 1 84 84 HIS N N 84 122.907 122.907 121.490 1.417 19553 2982 1 9 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.580 -0.020 19553 2983 1 9 . 1 1 84 84 HIS C C 84 178.593 178.593 175.111 3.482 19553 2984 1 9 . 1 1 84 84 HIS CA C 84 54.577 54.577 54.763 -0.186 19553 2985 1 9 . 1 1 84 84 HIS CB C 84 30.967 30.967 31.240 -0.273 19553 2986 1 9 . 1 1 84 84 HIS H H 84 8.908 8.908 8.587 0.321 19553 2987 1 9 . 1 1 85 85 GLU N N 85 124.766 124.766 125.981 -1.215 19553 2988 1 9 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.556 0.210 19553 2989 1 9 . 1 1 85 85 GLU C C 85 176.641 176.641 176.949 -0.308 19553 2990 1 9 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.745 1.627 19553 2991 1 9 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.925 2.996 19553 2992 1 9 . 1 1 85 85 GLU H H 85 8.979 8.979 9.245 -0.266 19553 2993 1 9 . 1 1 86 86 GLY N N 86 119.987 119.987 114.346 5.641 19553 2994 1 9 . 1 1 86 86 GLY C C 86 178.249 178.249 174.817 3.432 19553 2995 1 9 . 1 1 86 86 GLY CA C 86 47.276 47.276 46.063 1.213 19553 2996 1 9 . 1 1 86 86 GLY H H 86 9.540 9.540 9.046 0.494 19553 2997 1 9 . 1 1 87 87 GLY N N 87 108.242 108.242 105.596 2.646 19553 2998 1 9 . 1 1 87 87 GLY C C 87 179.578 179.578 174.832 4.746 19553 2999 1 9 . 1 1 87 87 GLY CA C 87 44.941 44.941 44.937 0.004 19553 3000 1 9 . 1 1 87 87 GLY H H 87 8.920 8.920 8.523 0.397 19553 3001 1 9 . 1 1 88 88 LYS N N 88 121.010 121.010 122.060 -1.050 19553 3002 1 9 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.610 0.008 19553 3003 1 9 . 1 1 88 88 LYS C C 88 178.241 178.241 175.727 2.514 19553 3004 1 9 . 1 1 88 88 LYS CA C 88 54.917 54.917 55.532 -0.615 19553 3005 1 9 . 1 1 88 88 LYS CB C 88 35.152 35.152 34.035 1.117 19553 3006 1 9 . 1 1 88 88 LYS H H 88 7.858 7.858 7.722 0.136 19553 3007 1 9 . 1 1 89 89 THR N N 89 117.172 117.172 114.571 2.601 19553 3008 1 9 . 1 1 89 89 THR HA H 89 4.691 4.691 5.560 -0.869 19553 3009 1 9 . 1 1 89 89 THR C C 89 180.192 180.192 174.327 5.865 19553 3010 1 9 . 1 1 89 89 THR CA C 89 61.646 61.646 61.309 0.337 19553 3011 1 9 . 1 1 89 89 THR CB C 89 70.339 70.339 69.711 0.628 19553 3012 1 9 . 1 1 89 89 THR H H 89 8.230 8.230 8.339 -0.109 19553 3013 1 9 . 1 1 90 90 TYR N N 90 123.521 123.521 124.313 -0.792 19553 3014 1 9 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.828 -0.149 19553 3015 1 9 . 1 1 90 90 TYR C C 90 179.282 179.282 174.964 4.318 19553 3016 1 9 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.831 -0.424 19553 3017 1 9 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.657 -1.685 19553 3018 1 9 . 1 1 90 90 TYR H H 90 8.927 8.927 9.147 -0.220 19553 3019 1 9 . 1 1 91 91 HIS N N 91 120.999 120.999 121.439 -0.440 19553 3020 1 9 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.001 0.085 19553 3021 1 9 . 1 1 91 91 HIS C C 91 178.719 178.719 174.708 4.011 19553 3022 1 9 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.696 -0.713 19553 3023 1 9 . 1 1 91 91 HIS CB C 91 29.492 29.492 32.023 -2.531 19553 3024 1 9 . 1 1 91 91 HIS H H 91 8.987 8.987 8.693 0.294 19553 3025 1 9 . 1 1 92 92 VAL N N 92 120.849 120.849 124.528 -3.679 19553 3026 1 9 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.258 0.142 19553 3027 1 9 . 1 1 92 92 VAL C C 92 180.110 180.110 174.305 5.805 19553 3028 1 9 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.592 -1.432 19553 3029 1 9 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.639 0.904 19553 3030 1 9 . 1 1 92 92 VAL H H 92 8.677 8.677 8.674 0.003 19553 3031 1 9 . 1 1 93 93 VAL N N 93 121.626 121.626 126.590 -4.964 19553 3032 1 9 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.425 -0.244 19553 3033 1 9 . 1 1 93 93 VAL C C 93 178.555 178.555 175.271 3.284 19553 3034 1 9 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.861 -0.314 19553 3035 1 9 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.401 -0.126 19553 3036 1 9 . 1 1 93 93 VAL H H 93 7.997 7.997 8.211 -0.214 19553 3037 1 9 . 1 1 94 94 CYS N N 94 123.035 123.035 126.024 -2.989 19553 3038 1 9 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.550 -0.157 19553 3039 1 9 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.299 -4.808 19553 3040 1 9 . 1 1 94 94 CYS CB C 94 41.492 41.492 27.044 14.448 19553 3041 1 9 . 1 1 94 94 CYS H H 94 7.890 7.890 8.279 -0.389 19553 3042 1 9 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.533 -0.100 19553 3043 1 9 . 1 1 95 95 HIS C C 95 179.991 179.991 175.128 4.863 19553 3044 1 9 . 1 1 95 95 HIS CA C 95 55.411 55.411 57.716 -2.305 19553 3045 1 9 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.711 0.564 19553 3046 1 9 . 1 1 96 96 GLU N N 96 117.019 117.019 118.394 -1.375 19553 3047 1 9 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.763 0.078 19553 3048 1 9 . 1 1 96 96 GLU C C 96 178.360 178.360 174.846 3.514 19553 3049 1 9 . 1 1 96 96 GLU CA C 96 54.440 54.440 54.788 -0.348 19553 3050 1 9 . 1 1 96 96 GLU CB C 96 32.505 32.505 31.993 0.512 19553 3051 1 9 . 1 1 96 96 GLU H H 96 7.623 7.623 7.804 -0.181 19553 3052 1 9 . 1 1 97 97 GLU N N 97 121.779 121.779 120.958 0.821 19553 3053 1 9 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.575 -0.132 19553 3054 1 9 . 1 1 97 97 GLU C C 97 176.658 176.658 176.180 0.478 19553 3055 1 9 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.872 1.060 19553 3056 1 9 . 1 1 97 97 GLU CB C 97 30.651 30.651 29.487 1.164 19553 3057 1 9 . 1 1 97 97 GLU H H 97 9.280 9.280 8.833 0.447 19553 3058 1 9 . 1 1 98 98 GLY N N 98 109.900 109.900 112.871 -2.971 19553 3059 1 9 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.672 -0.396 19553 3060 1 9 . 1 1 98 98 GLY H H 98 8.745 8.745 8.101 0.644 19553 3061 1 9 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.654 0.015 19553 3062 1 9 . 1 1 99 99 PRO C C 99 176.795 176.795 176.083 0.712 19553 3063 1 9 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.497 0.074 19553 3064 1 9 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.391 1.296 19553 3065 1 9 . 1 1 100 100 ILE N N 100 118.686 118.686 119.285 -0.599 19553 3066 1 9 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.076 -0.169 19553 3067 1 9 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.386 1.820 19553 3068 1 9 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.383 0.721 19553 3069 1 9 . 1 1 100 100 ILE H H 100 9.748 9.748 8.951 0.797 19553 3070 1 9 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.534 -0.403 19553 3071 1 9 . 1 1 101 101 PRO C C 101 177.525 177.525 176.406 1.119 19553 3072 1 9 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.938 0.145 19553 3073 1 9 . 1 1 101 101 PRO CB C 101 31.670 31.670 33.063 -1.393 19553 3074 1 9 . 1 1 102 102 HIS N N 102 123.222 123.222 119.761 3.461 19553 3075 1 9 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.674 -0.086 19553 3076 1 9 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.032 -1.468 19553 3077 1 9 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.375 -0.505 19553 3078 1 9 . 1 1 102 102 HIS H H 102 8.717 8.717 8.660 0.057 19553 3079 1 9 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.299 -0.018 19553 3080 1 9 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.540 -1.065 19553 3081 1 9 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.886 0.100 19553 3082 1 9 . 1 1 104 104 GLY N N 104 106.530 106.530 107.004 -0.474 19553 3083 1 9 . 1 1 104 104 GLY C C 104 180.058 180.058 174.093 5.965 19553 3084 1 9 . 1 1 104 104 GLY CA C 104 44.711 44.711 45.245 -0.534 19553 3085 1 9 . 1 1 104 104 GLY H H 104 9.682 9.682 8.088 1.594 19553 3086 1 9 . 1 1 105 105 ASN N N 105 118.099 118.099 119.389 -1.290 19553 3087 1 9 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.978 -0.302 19553 3088 1 9 . 1 1 105 105 ASN C C 105 178.082 178.082 175.643 2.439 19553 3089 1 9 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.571 1.663 19553 3090 1 9 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.170 0.002 19553 3091 1 9 . 1 1 105 105 ASN H H 105 6.870 6.870 7.752 -0.882 19553 3092 1 9 . 1 1 106 106 VAL N N 106 123.752 123.752 122.892 0.860 19553 3093 1 9 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.747 0.832 19553 3094 1 9 . 1 1 106 106 VAL C C 106 178.463 178.463 177.365 1.098 19553 3095 1 9 . 1 1 106 106 VAL CA C 106 63.313 63.313 65.234 -1.921 19553 3096 1 9 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.692 -0.080 19553 3097 1 9 . 1 1 106 106 VAL H H 106 8.774 8.774 9.019 -0.245 19553 3098 1 9 . 1 1 107 107 HIS N N 107 116.712 116.712 117.703 -0.991 19553 3099 1 9 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.507 0.083 19553 3100 1 9 . 1 1 107 107 HIS C C 107 180.421 180.421 174.982 5.439 19553 3101 1 9 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.310 -0.662 19553 3102 1 9 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.220 -1.466 19553 3103 1 9 . 1 1 107 107 HIS H H 107 9.171 9.171 8.519 0.652 19553 3104 1 9 . 1 1 108 108 LYS N N 108 119.379 119.379 116.820 2.559 19553 3105 1 9 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.722 0.396 19553 3106 1 9 . 1 1 108 108 LYS C C 108 181.487 181.487 174.570 6.917 19553 3107 1 9 . 1 1 108 108 LYS CA C 108 54.558 54.558 54.931 -0.373 19553 3108 1 9 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.869 2.480 19553 3109 1 9 . 1 1 108 108 LYS H H 108 7.627 7.627 7.687 -0.060 19553 3110 1 9 . 1 1 109 109 TYR N N 109 114.203 114.203 117.122 -2.919 19553 3111 1 9 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.903 -0.326 19553 3112 1 9 . 1 1 109 109 TYR C C 109 181.588 181.588 172.856 8.732 19553 3113 1 9 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.710 0.657 19553 3114 1 9 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.129 -3.334 19553 3115 1 9 . 1 1 109 109 TYR H H 109 9.006 9.006 9.121 -0.115 19553 3116 1 9 . 1 1 110 110 ILE N N 110 119.840 119.840 117.674 2.166 19553 3117 1 9 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.634 0.051 19553 3118 1 9 . 1 1 110 110 ILE C C 110 178.917 178.917 174.734 4.183 19553 3119 1 9 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.487 -0.247 19553 3120 1 9 . 1 1 110 110 ILE CB C 110 41.230 41.230 42.287 -1.057 19553 3121 1 9 . 1 1 110 110 ILE H H 110 8.764 8.764 8.970 -0.206 19553 3122 1 9 . 1 1 111 111 ILE N N 111 124.346 124.346 126.051 -1.705 19553 3123 1 9 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.469 -0.137 19553 3124 1 9 . 1 1 111 111 ILE C C 111 175.896 175.896 175.028 0.868 19553 3125 1 9 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.118 0.583 19553 3126 1 9 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.187 1.326 19553 3127 1 9 . 1 1 111 111 ILE H H 111 9.032 9.032 8.685 0.347 19553 3128 1 9 . 1 1 112 112 CYS N N 112 128.772 128.772 128.626 0.146 19553 3129 1 9 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.960 0.121 19553 3130 1 9 . 1 1 112 112 CYS C C 112 178.268 178.268 174.639 3.629 19553 3131 1 9 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.330 -1.088 19553 3132 1 9 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.321 16.634 19553 3133 1 9 . 1 1 112 112 CYS H H 112 8.517 8.517 8.498 0.019 19553 3134 1 9 . 1 1 113 113 SER N N 113 120.988 120.988 120.387 0.601 19553 3135 1 9 . 1 1 113 113 SER HA H 113 4.996 4.996 4.776 0.220 19553 3136 1 9 . 1 1 113 113 SER C C 113 182.750 182.750 172.506 10.244 19553 3137 1 9 . 1 1 113 113 SER CA C 113 57.517 57.517 57.808 -0.291 19553 3138 1 9 . 1 1 113 113 SER CB C 113 65.528 65.528 66.695 -1.167 19553 3139 1 9 . 1 1 113 113 SER H H 113 9.361 9.361 9.302 0.059 19553 3140 1 9 . 1 1 114 114 LYS N N 114 123.657 123.657 124.953 -1.296 19553 3141 1 9 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.495 0.109 19553 3142 1 9 . 1 1 114 114 LYS C C 114 176.524 176.524 175.996 0.528 19553 3143 1 9 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.883 -0.021 19553 3144 1 9 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.620 0.763 19553 3145 1 9 . 1 1 114 114 LYS H H 114 8.899 8.899 8.442 0.457 19553 3146 1 9 . 1 1 115 115 SER N N 115 119.515 119.515 124.158 -4.643 19553 3147 1 9 . 1 1 115 115 SER HA H 115 4.589 4.589 4.640 -0.051 19553 3148 1 9 . 1 1 115 115 SER C C 115 178.064 178.064 174.937 3.127 19553 3149 1 9 . 1 1 115 115 SER CA C 115 56.468 56.468 57.957 -1.489 19553 3150 1 9 . 1 1 115 115 SER CB C 115 63.236 63.236 61.779 1.457 19553 3151 1 9 . 1 1 115 115 SER H H 115 8.560 8.560 9.073 -0.513 19553 3152 1 9 . 1 1 116 116 GLY N N 116 118.606 118.606 115.328 3.278 19553 3153 1 9 . 1 1 116 116 GLY C C 116 178.577 178.577 174.241 4.336 19553 3154 1 9 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.521 0.426 19553 3155 1 9 . 1 1 116 116 GLY H H 116 9.067 9.067 8.086 0.981 19553 3156 1 9 . 1 1 117 117 SER N N 117 121.443 121.443 118.705 2.738 19553 3157 1 9 . 1 1 117 117 SER HA H 117 4.310 4.310 4.573 -0.263 19553 3158 1 9 . 1 1 117 117 SER C C 117 180.107 180.107 173.094 7.013 19553 3159 1 9 . 1 1 117 117 SER CA C 117 58.416 58.416 57.975 0.441 19553 3160 1 9 . 1 1 117 117 SER CB C 117 63.758 63.758 64.269 -0.511 19553 3161 1 9 . 1 1 117 117 SER H H 117 8.908 8.908 8.218 0.690 19553 3162 1 9 . 1 1 118 118 LEU N N 118 123.028 123.028 123.655 -0.627 19553 3163 1 9 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.672 -0.086 19553 3164 1 9 . 1 1 118 118 LEU C C 118 177.894 177.894 174.019 3.875 19553 3165 1 9 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.013 0.104 19553 3166 1 9 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.569 -0.339 19553 3167 1 9 . 1 1 118 118 LEU H H 118 7.763 7.763 7.350 0.413 19553 3168 1 9 . 1 1 119 119 TRP N N 119 120.523 120.523 125.706 -5.183 19553 3169 1 9 . 1 1 119 119 TRP HA H 119 5.218 5.218 4.978 0.240 19553 3170 1 9 . 1 1 119 119 TRP C C 119 177.735 177.735 176.002 1.733 19553 3171 1 9 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.964 -0.523 19553 3172 1 9 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.182 1.999 19553 3173 1 9 . 1 1 119 119 TRP H H 119 8.102 8.102 8.679 -0.577 19553 3174 1 9 . 1 1 120 120 TYR N N 120 119.365 119.365 123.924 -4.559 19553 3175 1 9 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.793 0.062 19553 3176 1 9 . 1 1 120 120 TYR C C 120 179.683 179.683 174.683 5.000 19553 3177 1 9 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.674 -1.247 19553 3178 1 9 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.491 0.297 19553 3179 1 9 . 1 1 120 120 TYR H H 120 9.495 9.495 9.368 0.127 19553 3180 1 9 . 1 1 121 121 ILE N N 121 111.471 111.471 118.784 -7.313 19553 3181 1 9 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.604 0.091 19553 3182 1 9 . 1 1 121 121 ILE C C 121 177.137 177.137 175.325 1.812 19553 3183 1 9 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.860 -0.594 19553 3184 1 9 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.865 1.326 19553 3185 1 9 . 1 1 121 121 ILE H H 121 8.338 8.338 8.440 -0.102 19553 3186 1 9 . 1 1 122 122 THR N N 122 116.120 116.120 120.052 -3.932 19553 3187 1 9 . 1 1 122 122 THR HA H 122 4.493 4.493 4.612 -0.119 19553 3188 1 9 . 1 1 122 122 THR C C 122 180.251 180.251 172.728 7.523 19553 3189 1 9 . 1 1 122 122 THR CA C 122 61.437 61.437 61.621 -0.184 19553 3190 1 9 . 1 1 122 122 THR CB C 122 71.892 71.892 71.196 0.696 19553 3191 1 9 . 1 1 122 122 THR H H 122 7.796 7.796 8.272 -0.476 19553 3192 1 9 . 1 1 123 123 VAL N N 123 128.072 128.072 128.315 -0.243 19553 3193 1 9 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.441 -0.169 19553 3194 1 9 . 1 1 123 123 VAL C C 123 178.576 178.576 174.894 3.682 19553 3195 1 9 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.140 1.818 19553 3196 1 9 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.524 -0.492 19553 3197 1 9 . 1 1 123 123 VAL H H 123 9.009 9.009 8.551 0.458 19553 3198 1 9 . 1 1 124 124 MET N N 124 127.234 127.234 128.227 -0.993 19553 3199 1 9 . 1 1 124 124 MET HA H 124 5.053 5.053 4.887 0.166 19553 3200 1 9 . 1 1 124 124 MET CA C 124 50.145 50.145 51.205 -1.060 19553 3201 1 9 . 1 1 124 124 MET CB C 124 33.625 33.625 34.068 -0.443 19553 3202 1 9 . 1 1 124 124 MET H H 124 8.799 8.799 8.463 0.336 19553 3203 1 9 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.564 0.327 19553 3204 1 9 . 1 1 125 125 PRO C C 125 174.594 174.594 175.783 -1.189 19553 3205 1 9 . 1 1 125 125 PRO CA C 125 61.564 61.564 61.778 -0.214 19553 3206 1 9 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.595 -1.285 19553 3207 1 9 . 1 1 126 126 CYS N N 126 119.444 119.444 121.482 -2.038 19553 3208 1 9 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.693 0.438 19553 3209 1 9 . 1 1 126 126 CYS C C 126 177.425 177.425 175.722 1.703 19553 3210 1 9 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.721 -5.165 19553 3211 1 9 . 1 1 126 126 CYS CB C 126 38.277 38.277 29.728 8.549 19553 3212 1 9 . 1 1 126 126 CYS H H 126 8.355 8.355 8.712 -0.357 19553 3213 1 9 . 1 1 127 127 SER N N 127 117.888 117.888 115.685 2.203 19553 3214 1 9 . 1 1 127 127 SER HA H 127 4.382 4.382 4.484 -0.102 19553 3215 1 9 . 1 1 127 127 SER C C 127 178.499 178.499 174.510 3.989 19553 3216 1 9 . 1 1 127 127 SER CA C 127 59.179 59.179 59.384 -0.205 19553 3217 1 9 . 1 1 127 127 SER CB C 127 63.503 63.503 63.635 -0.132 19553 3218 1 9 . 1 1 127 127 SER H H 127 8.255 8.255 8.654 -0.399 19553 3219 1 9 . 1 1 128 128 ILE N N 128 125.176 125.176 123.384 1.792 19553 3220 1 9 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.854 0.134 19553 3221 1 9 . 1 1 128 128 ILE C C 128 176.825 176.825 177.860 -1.035 19553 3222 1 9 . 1 1 128 128 ILE CA C 128 63.307 63.307 62.879 0.428 19553 3223 1 9 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.592 0.033 19553 3224 1 9 . 1 1 128 128 ILE H H 128 8.727 8.727 8.651 0.076 19553 3225 1 9 . 1 1 129 129 GLY N N 129 114.581 114.581 115.959 -1.378 19553 3226 1 9 . 1 1 129 129 GLY C C 129 178.928 178.928 174.180 4.748 19553 3227 1 9 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.019 -0.135 19553 3228 1 9 . 1 1 129 129 GLY H H 129 8.888 8.888 8.688 0.200 19553 3229 1 9 . 1 1 130 130 THR N N 130 110.279 110.279 114.456 -4.177 19553 3230 1 9 . 1 1 130 130 THR HA H 130 5.294 5.294 5.147 0.147 19553 3231 1 9 . 1 1 130 130 THR C C 130 180.377 180.377 173.062 7.315 19553 3232 1 9 . 1 1 130 130 THR CA C 130 60.262 60.262 60.595 -0.333 19553 3233 1 9 . 1 1 130 130 THR CB C 130 72.701 72.701 71.854 0.847 19553 3234 1 9 . 1 1 130 130 THR H H 130 8.132 8.132 7.885 0.247 19553 3235 1 9 . 1 1 131 131 LYS N N 131 117.394 117.394 118.682 -1.288 19553 3236 1 9 . 1 1 131 131 LYS HA H 131 4.829 4.829 4.895 -0.066 19553 3237 1 9 . 1 1 131 131 LYS C C 131 179.939 179.939 174.692 5.247 19553 3238 1 9 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.352 -0.299 19553 3239 1 9 . 1 1 131 131 LYS CB C 131 35.945 35.945 35.936 0.009 19553 3240 1 9 . 1 1 131 131 LYS H H 131 9.579 9.579 9.013 0.566 19553 3241 1 9 . 1 1 132 132 PHE N N 132 123.518 123.518 124.550 -1.032 19553 3242 1 9 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.778 -0.385 19553 3243 1 9 . 1 1 132 132 PHE C C 132 178.908 178.908 175.281 3.627 19553 3244 1 9 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.040 1.886 19553 3245 1 9 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.529 -1.234 19553 3246 1 9 . 1 1 132 132 PHE H H 132 9.347 9.347 8.624 0.723 19553 3247 1 9 . 1 1 133 133 ASP N N 133 130.494 130.494 126.936 3.558 19553 3248 1 9 . 1 1 133 133 ASP HA H 133 4.976 4.976 5.081 -0.105 19553 3249 1 9 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.216 -0.365 19553 3250 1 9 . 1 1 133 133 ASP CB C 133 43.416 43.416 42.695 0.721 19553 3251 1 9 . 1 1 133 133 ASP H H 133 8.091 8.091 8.148 -0.057 19553 3252 1 9 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.524 -0.447 19553 3253 1 9 . 1 1 134 134 PRO C C 134 176.646 176.646 176.688 -0.042 19553 3254 1 9 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.766 -1.130 19553 3255 1 9 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.294 0.506 19553 3256 1 9 . 1 1 135 135 ILE N N 135 118.026 118.026 115.896 2.130 19553 3257 1 9 . 1 1 135 135 ILE HA H 135 3.900 3.900 3.937 -0.037 19553 3258 1 9 . 1 1 135 135 ILE C C 135 175.842 175.842 177.344 -1.502 19553 3259 1 9 . 1 1 135 135 ILE CA C 135 63.390 63.390 63.054 0.336 19553 3260 1 9 . 1 1 135 135 ILE CB C 135 35.916 35.916 38.244 -2.328 19553 3261 1 9 . 1 1 135 135 ILE H H 135 7.844 7.844 7.457 0.387 19553 3262 1 9 . 1 1 136 136 SER N N 136 113.845 113.845 113.872 -0.027 19553 3263 1 9 . 1 1 136 136 SER HA H 136 4.144 4.144 4.213 -0.069 19553 3264 1 9 . 1 1 136 136 SER C C 136 178.752 178.752 174.483 4.269 19553 3265 1 9 . 1 1 136 136 SER CA C 136 59.461 59.461 60.369 -0.908 19553 3266 1 9 . 1 1 136 136 SER CB C 136 63.840 63.840 63.684 0.156 19553 3267 1 9 . 1 1 136 136 SER H H 136 7.779 7.779 8.952 -1.173 19553 3268 1 9 . 1 1 137 137 ARG N N 137 116.720 116.720 116.216 0.504 19553 3269 1 9 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.894 -0.663 19553 3270 1 9 . 1 1 137 137 ARG C C 137 180.002 180.002 174.115 5.887 19553 3271 1 9 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.604 0.506 19553 3272 1 9 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.186 -0.984 19553 3273 1 9 . 1 1 137 137 ARG H H 137 7.935 7.935 8.025 -0.090 19553 3274 1 9 . 1 1 138 138 ASN N N 138 113.845 113.845 112.638 1.207 19553 3275 1 9 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.628 0.073 19553 3276 1 9 . 1 1 138 138 ASN C C 138 179.580 179.580 172.131 7.449 19553 3277 1 9 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.906 -1.094 19553 3278 1 9 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.561 1.184 19553 3279 1 9 . 1 1 138 138 ASN H H 138 6.857 6.857 6.911 -0.054 19553 3280 1 9 . 1 1 139 139 CYS N N 139 120.168 120.168 117.996 2.172 19553 3281 1 9 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.068 0.152 19553 3282 1 9 . 1 1 139 139 CYS C C 139 178.616 178.616 174.968 3.648 19553 3283 1 9 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.141 -1.953 19553 3284 1 9 . 1 1 139 139 CYS CB C 139 40.808 40.808 26.610 14.198 19553 3285 1 9 . 1 1 139 139 CYS H H 139 8.519 8.519 8.455 0.064 19553 3286 1 9 . 1 1 140 140 VAL N N 140 119.928 119.928 120.551 -0.623 19553 3287 1 9 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.492 0.175 19553 3288 1 9 . 1 1 140 140 VAL C C 140 178.299 178.299 174.702 3.597 19553 3289 1 9 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.904 -0.766 19553 3290 1 9 . 1 1 140 140 VAL CB C 140 35.402 35.402 33.813 1.589 19553 3291 1 9 . 1 1 140 140 VAL H H 140 9.531 9.531 9.231 0.300 19553 3292 1 9 . 1 1 141 141 LEU N N 141 121.749 121.749 122.499 -0.750 19553 3293 1 9 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.307 -0.298 19553 3294 1 9 . 1 1 141 141 LEU C C 141 176.847 176.847 176.060 0.787 19553 3295 1 9 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.557 1.285 19553 3296 1 9 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.800 0.402 19553 3297 1 9 . 1 1 141 141 LEU H H 141 8.363 8.363 8.418 -0.055 19553 3298 1 9 . 1 1 142 142 ASP N N 142 123.416 123.416 128.036 -4.620 19553 3299 1 9 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.676 -0.049 19553 3300 1 9 . 1 1 142 142 ASP C C 142 179.175 179.175 174.699 4.476 19553 3301 1 9 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.032 -0.988 19553 3302 1 9 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.454 -0.713 19553 3303 1 9 . 1 1 142 142 ASP H H 142 8.271 8.271 8.346 -0.075 19553 3304 1 10 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.565 -0.044 19553 3305 1 10 . 1 1 76 76 PRO C C 76 176.427 176.427 176.126 0.301 19553 3306 1 10 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.295 0.761 19553 3307 1 10 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.675 -0.314 19553 3308 1 10 . 1 1 77 77 LEU N N 77 122.647 122.647 122.822 -0.175 19553 3309 1 10 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.343 0.086 19553 3310 1 10 . 1 1 77 77 LEU C C 77 175.532 175.532 176.861 -1.329 19553 3311 1 10 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.784 0.866 19553 3312 1 10 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.532 -0.191 19553 3313 1 10 . 1 1 77 77 LEU H H 77 8.571 8.571 8.373 0.198 19553 3314 1 10 . 1 1 78 78 GLY N N 78 110.072 110.072 112.444 -2.372 19553 3315 1 10 . 1 1 78 78 GLY C C 78 179.395 179.395 175.013 4.382 19553 3316 1 10 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.544 -0.274 19553 3317 1 10 . 1 1 78 78 GLY H H 78 8.483 8.483 8.530 -0.047 19553 3318 1 10 . 1 1 79 79 SER N N 79 115.122 115.122 116.416 -1.294 19553 3319 1 10 . 1 1 79 79 SER HA H 79 4.549 4.549 4.014 0.535 19553 3320 1 10 . 1 1 79 79 SER C C 79 179.859 179.859 173.244 6.615 19553 3321 1 10 . 1 1 79 79 SER CA C 79 58.151 58.151 60.354 -2.203 19553 3322 1 10 . 1 1 79 79 SER CB C 79 64.330 64.330 63.572 0.758 19553 3323 1 10 . 1 1 79 79 SER H H 79 8.151 8.151 8.277 -0.126 19553 3324 1 10 . 1 1 80 80 ASP N N 80 122.779 122.779 119.411 3.368 19553 3325 1 10 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.154 -0.401 19553 3326 1 10 . 1 1 80 80 ASP C C 80 178.137 178.137 175.038 3.099 19553 3327 1 10 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.381 0.647 19553 3328 1 10 . 1 1 80 80 ASP CB C 80 41.202 41.202 42.120 -0.918 19553 3329 1 10 . 1 1 80 80 ASP H H 80 8.294 8.294 7.716 0.578 19553 3330 1 10 . 1 1 81 81 LEU N N 81 125.106 125.106 126.630 -1.524 19553 3331 1 10 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.732 -0.249 19553 3332 1 10 . 1 1 81 81 LEU C C 81 178.326 178.326 175.055 3.271 19553 3333 1 10 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.494 0.616 19553 3334 1 10 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.127 -3.037 19553 3335 1 10 . 1 1 81 81 LEU H H 81 8.532 8.532 8.572 -0.040 19553 3336 1 10 . 1 1 82 82 ILE N N 82 120.036 120.036 123.299 -3.263 19553 3337 1 10 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.971 -0.151 19553 3338 1 10 . 1 1 82 82 ILE C C 82 177.782 177.782 175.660 2.122 19553 3339 1 10 . 1 1 82 82 ILE CA C 82 59.174 59.174 59.764 -0.590 19553 3340 1 10 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.513 1.406 19553 3341 1 10 . 1 1 82 82 ILE H H 82 7.848 7.848 8.199 -0.351 19553 3342 1 10 . 1 1 83 83 VAL N N 83 119.733 119.733 121.199 -1.466 19553 3343 1 10 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.718 -0.288 19553 3344 1 10 . 1 1 83 83 VAL C C 83 179.809 179.809 174.333 5.476 19553 3345 1 10 . 1 1 83 83 VAL CA C 83 59.453 59.453 60.138 -0.685 19553 3346 1 10 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.115 0.038 19553 3347 1 10 . 1 1 83 83 VAL H H 83 8.511 8.511 9.118 -0.607 19553 3348 1 10 . 1 1 84 84 HIS N N 84 122.907 122.907 124.822 -1.915 19553 3349 1 10 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.207 0.353 19553 3350 1 10 . 1 1 84 84 HIS C C 84 178.593 178.593 174.775 3.818 19553 3351 1 10 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.172 -0.595 19553 3352 1 10 . 1 1 84 84 HIS CB C 84 30.967 30.967 30.262 0.705 19553 3353 1 10 . 1 1 84 84 HIS H H 84 8.908 8.908 8.904 0.004 19553 3354 1 10 . 1 1 85 85 GLU N N 85 124.766 124.766 126.253 -1.487 19553 3355 1 10 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.501 0.265 19553 3356 1 10 . 1 1 85 85 GLU C C 85 176.641 176.641 176.745 -0.104 19553 3357 1 10 . 1 1 85 85 GLU CA C 85 56.372 56.372 55.544 0.829 19553 3358 1 10 . 1 1 85 85 GLU CB C 85 32.921 32.921 31.697 1.224 19553 3359 1 10 . 1 1 85 85 GLU H H 85 8.979 8.979 9.260 -0.281 19553 3360 1 10 . 1 1 86 86 GLY N N 86 119.987 119.987 114.439 5.548 19553 3361 1 10 . 1 1 86 86 GLY C C 86 178.249 178.249 175.026 3.223 19553 3362 1 10 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.780 1.496 19553 3363 1 10 . 1 1 86 86 GLY H H 86 9.540 9.540 9.169 0.371 19553 3364 1 10 . 1 1 87 87 GLY N N 87 108.242 108.242 105.455 2.787 19553 3365 1 10 . 1 1 87 87 GLY C C 87 179.578 179.578 174.689 4.889 19553 3366 1 10 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.088 -0.147 19553 3367 1 10 . 1 1 87 87 GLY H H 87 8.920 8.920 8.743 0.177 19553 3368 1 10 . 1 1 88 88 LYS N N 88 121.010 121.010 122.536 -1.526 19553 3369 1 10 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.664 -0.046 19553 3370 1 10 . 1 1 88 88 LYS C C 88 178.241 178.241 175.885 2.356 19553 3371 1 10 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.043 0.874 19553 3372 1 10 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.433 1.719 19553 3373 1 10 . 1 1 88 88 LYS H H 88 7.858 7.858 7.709 0.149 19553 3374 1 10 . 1 1 89 89 THR N N 89 117.172 117.172 119.089 -1.917 19553 3375 1 10 . 1 1 89 89 THR HA H 89 4.691 4.691 4.686 0.005 19553 3376 1 10 . 1 1 89 89 THR C C 89 180.192 180.192 173.985 6.207 19553 3377 1 10 . 1 1 89 89 THR CA C 89 61.646 61.646 62.009 -0.363 19553 3378 1 10 . 1 1 89 89 THR CB C 89 70.339 70.339 67.895 2.444 19553 3379 1 10 . 1 1 89 89 THR H H 89 8.230 8.230 8.562 -0.332 19553 3380 1 10 . 1 1 90 90 TYR N N 90 123.521 123.521 125.945 -2.424 19553 3381 1 10 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.676 0.003 19553 3382 1 10 . 1 1 90 90 TYR C C 90 179.282 179.282 175.120 4.162 19553 3383 1 10 . 1 1 90 90 TYR CA C 90 56.407 56.407 57.250 -0.843 19553 3384 1 10 . 1 1 90 90 TYR CB C 90 40.972 40.972 41.002 -0.030 19553 3385 1 10 . 1 1 90 90 TYR H H 90 8.927 8.927 9.155 -0.228 19553 3386 1 10 . 1 1 91 91 HIS N N 91 120.999 120.999 120.051 0.948 19553 3387 1 10 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.238 -0.152 19553 3388 1 10 . 1 1 91 91 HIS C C 91 178.719 178.719 175.056 3.663 19553 3389 1 10 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.605 -0.621 19553 3390 1 10 . 1 1 91 91 HIS CB C 91 29.492 29.492 32.501 -3.009 19553 3391 1 10 . 1 1 91 91 HIS H H 91 8.987 8.987 8.592 0.395 19553 3392 1 10 . 1 1 92 92 VAL N N 92 120.849 120.849 125.137 -4.288 19553 3393 1 10 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.298 0.102 19553 3394 1 10 . 1 1 92 92 VAL C C 92 180.110 180.110 173.841 6.269 19553 3395 1 10 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.567 -1.407 19553 3396 1 10 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.492 1.051 19553 3397 1 10 . 1 1 92 92 VAL H H 92 8.677 8.677 9.254 -0.577 19553 3398 1 10 . 1 1 93 93 VAL N N 93 121.626 121.626 126.283 -4.657 19553 3399 1 10 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.871 -0.690 19553 3400 1 10 . 1 1 93 93 VAL C C 93 178.555 178.555 175.157 3.398 19553 3401 1 10 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.374 0.173 19553 3402 1 10 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.889 -0.614 19553 3403 1 10 . 1 1 93 93 VAL H H 93 7.997 7.997 8.236 -0.239 19553 3404 1 10 . 1 1 94 94 CYS N N 94 123.035 123.035 127.278 -4.243 19553 3405 1 10 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.661 -0.268 19553 3406 1 10 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.236 -4.745 19553 3407 1 10 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.021 15.471 19553 3408 1 10 . 1 1 94 94 CYS H H 94 7.890 7.890 8.158 -0.268 19553 3409 1 10 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.415 0.018 19553 3410 1 10 . 1 1 95 95 HIS C C 95 179.991 179.991 174.183 5.808 19553 3411 1 10 . 1 1 95 95 HIS CA C 95 55.411 55.411 57.175 -1.764 19553 3412 1 10 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.515 0.760 19553 3413 1 10 . 1 1 96 96 GLU N N 96 117.019 117.019 118.777 -1.758 19553 3414 1 10 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.767 0.074 19553 3415 1 10 . 1 1 96 96 GLU C C 96 178.360 178.360 175.200 3.160 19553 3416 1 10 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.468 -1.028 19553 3417 1 10 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.484 0.021 19553 3418 1 10 . 1 1 96 96 GLU H H 96 7.623 7.623 8.003 -0.380 19553 3419 1 10 . 1 1 97 97 GLU N N 97 121.779 121.779 119.771 2.008 19553 3420 1 10 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.656 -0.213 19553 3421 1 10 . 1 1 97 97 GLU C C 97 176.658 176.658 176.636 0.022 19553 3422 1 10 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.504 1.429 19553 3423 1 10 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.717 -0.066 19553 3424 1 10 . 1 1 97 97 GLU H H 97 9.280 9.280 8.696 0.584 19553 3425 1 10 . 1 1 98 98 GLY N N 98 109.900 109.900 109.745 0.155 19553 3426 1 10 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.389 -0.113 19553 3427 1 10 . 1 1 98 98 GLY H H 98 8.745 8.745 8.449 0.296 19553 3428 1 10 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.704 -0.035 19553 3429 1 10 . 1 1 99 99 PRO C C 99 176.795 176.795 176.140 0.655 19553 3430 1 10 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.079 0.492 19553 3431 1 10 . 1 1 99 99 PRO CB C 99 33.687 33.687 33.054 0.633 19553 3432 1 10 . 1 1 100 100 ILE N N 100 118.686 118.686 116.953 1.733 19553 3433 1 10 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.052 -0.145 19553 3434 1 10 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.568 1.638 19553 3435 1 10 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.188 0.916 19553 3436 1 10 . 1 1 100 100 ILE H H 100 9.748 9.748 8.946 0.802 19553 3437 1 10 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.586 -0.455 19553 3438 1 10 . 1 1 101 101 PRO C C 101 177.525 177.525 176.340 1.185 19553 3439 1 10 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.987 0.096 19553 3440 1 10 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.910 -1.240 19553 3441 1 10 . 1 1 102 102 HIS N N 102 123.222 123.222 119.823 3.399 19553 3442 1 10 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.687 -0.099 19553 3443 1 10 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.242 -1.678 19553 3444 1 10 . 1 1 102 102 HIS CB C 102 31.870 31.870 31.992 -0.122 19553 3445 1 10 . 1 1 102 102 HIS H H 102 8.717 8.717 8.766 -0.049 19553 3446 1 10 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.224 0.057 19553 3447 1 10 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.412 -0.937 19553 3448 1 10 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.729 0.257 19553 3449 1 10 . 1 1 104 104 GLY N N 104 106.530 106.530 106.370 0.160 19553 3450 1 10 . 1 1 104 104 GLY C C 104 180.058 180.058 173.536 6.522 19553 3451 1 10 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.255 0.456 19553 3452 1 10 . 1 1 104 104 GLY H H 104 9.682 9.682 7.029 2.654 19553 3453 1 10 . 1 1 105 105 ASN N N 105 118.099 118.099 116.315 1.784 19553 3454 1 10 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.754 -0.078 19553 3455 1 10 . 1 1 105 105 ASN C C 105 178.082 178.082 175.576 2.506 19553 3456 1 10 . 1 1 105 105 ASN CA C 105 53.234 53.234 52.407 0.827 19553 3457 1 10 . 1 1 105 105 ASN CB C 105 39.173 39.173 40.134 -0.961 19553 3458 1 10 . 1 1 105 105 ASN H H 105 6.870 6.870 7.767 -0.897 19553 3459 1 10 . 1 1 106 106 VAL N N 106 123.752 123.752 118.384 5.368 19553 3460 1 10 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.808 0.771 19553 3461 1 10 . 1 1 106 106 VAL C C 106 178.463 178.463 176.021 2.442 19553 3462 1 10 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.611 -1.298 19553 3463 1 10 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.270 0.342 19553 3464 1 10 . 1 1 106 106 VAL H H 106 8.774 8.774 8.592 0.182 19553 3465 1 10 . 1 1 107 107 HIS N N 107 116.712 116.712 117.830 -1.118 19553 3466 1 10 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.705 -0.115 19553 3467 1 10 . 1 1 107 107 HIS C C 107 180.421 180.421 175.058 5.363 19553 3468 1 10 . 1 1 107 107 HIS CA C 107 56.649 56.649 56.566 0.083 19553 3469 1 10 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.400 -1.646 19553 3470 1 10 . 1 1 107 107 HIS H H 107 9.171 9.171 8.244 0.927 19553 3471 1 10 . 1 1 108 108 LYS N N 108 119.379 119.379 117.118 2.261 19553 3472 1 10 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.780 0.338 19553 3473 1 10 . 1 1 108 108 LYS C C 108 181.487 181.487 174.532 6.955 19553 3474 1 10 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.288 -0.730 19553 3475 1 10 . 1 1 108 108 LYS CB C 108 39.349 39.349 37.026 2.324 19553 3476 1 10 . 1 1 108 108 LYS H H 108 7.627 7.627 7.775 -0.148 19553 3477 1 10 . 1 1 109 109 TYR N N 109 114.203 114.203 116.992 -2.789 19553 3478 1 10 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.914 -0.337 19553 3479 1 10 . 1 1 109 109 TYR C C 109 181.588 181.588 172.853 8.735 19553 3480 1 10 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.788 0.579 19553 3481 1 10 . 1 1 109 109 TYR CB C 109 37.795 37.795 40.913 -3.118 19553 3482 1 10 . 1 1 109 109 TYR H H 109 9.006 9.006 9.122 -0.116 19553 3483 1 10 . 1 1 110 110 ILE N N 110 119.840 119.840 117.992 1.848 19553 3484 1 10 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.616 0.069 19553 3485 1 10 . 1 1 110 110 ILE C C 110 178.917 178.917 174.843 4.074 19553 3486 1 10 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.446 -0.206 19553 3487 1 10 . 1 1 110 110 ILE CB C 110 41.230 41.230 42.037 -0.807 19553 3488 1 10 . 1 1 110 110 ILE H H 110 8.764 8.764 9.001 -0.237 19553 3489 1 10 . 1 1 111 111 ILE N N 111 124.346 124.346 126.402 -2.056 19553 3490 1 10 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.504 -0.172 19553 3491 1 10 . 1 1 111 111 ILE C C 111 175.896 175.896 174.848 1.048 19553 3492 1 10 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.115 0.586 19553 3493 1 10 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.587 0.926 19553 3494 1 10 . 1 1 111 111 ILE H H 111 9.032 9.032 8.708 0.324 19553 3495 1 10 . 1 1 112 112 CYS N N 112 128.772 128.772 128.614 0.158 19553 3496 1 10 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.863 0.218 19553 3497 1 10 . 1 1 112 112 CYS C C 112 178.268 178.268 174.452 3.816 19553 3498 1 10 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.478 -1.236 19553 3499 1 10 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.316 16.639 19553 3500 1 10 . 1 1 112 112 CYS H H 112 8.517 8.517 8.809 -0.292 19553 3501 1 10 . 1 1 113 113 SER N N 113 120.988 120.988 120.778 0.210 19553 3502 1 10 . 1 1 113 113 SER HA H 113 4.996 4.996 4.992 0.004 19553 3503 1 10 . 1 1 113 113 SER C C 113 182.750 182.750 172.755 9.995 19553 3504 1 10 . 1 1 113 113 SER CA C 113 57.517 57.517 57.166 0.350 19553 3505 1 10 . 1 1 113 113 SER CB C 113 65.528 65.528 66.303 -0.775 19553 3506 1 10 . 1 1 113 113 SER H H 113 9.361 9.361 9.214 0.147 19553 3507 1 10 . 1 1 114 114 LYS N N 114 123.657 123.657 127.012 -3.355 19553 3508 1 10 . 1 1 114 114 LYS HA H 114 4.604 4.604 3.979 0.625 19553 3509 1 10 . 1 1 114 114 LYS C C 114 176.524 176.524 176.011 0.513 19553 3510 1 10 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.436 0.426 19553 3511 1 10 . 1 1 114 114 LYS CB C 114 34.383 34.383 32.464 1.919 19553 3512 1 10 . 1 1 114 114 LYS H H 114 8.899 8.899 9.155 -0.256 19553 3513 1 10 . 1 1 115 115 SER N N 115 119.515 119.515 124.813 -5.298 19553 3514 1 10 . 1 1 115 115 SER HA H 115 4.589 4.589 4.688 -0.099 19553 3515 1 10 . 1 1 115 115 SER C C 115 178.064 178.064 174.777 3.287 19553 3516 1 10 . 1 1 115 115 SER CA C 115 56.468 56.468 56.862 -0.394 19553 3517 1 10 . 1 1 115 115 SER CB C 115 63.236 63.236 63.053 0.183 19553 3518 1 10 . 1 1 115 115 SER H H 115 8.560 8.560 8.872 -0.312 19553 3519 1 10 . 1 1 116 116 GLY N N 116 118.606 118.606 117.061 1.545 19553 3520 1 10 . 1 1 116 116 GLY C C 116 178.577 178.577 174.879 3.698 19553 3521 1 10 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.803 0.144 19553 3522 1 10 . 1 1 116 116 GLY H H 116 9.067 9.067 8.426 0.641 19553 3523 1 10 . 1 1 117 117 SER N N 117 121.443 121.443 119.325 2.118 19553 3524 1 10 . 1 1 117 117 SER HA H 117 4.310 4.310 4.645 -0.335 19553 3525 1 10 . 1 1 117 117 SER C C 117 180.107 180.107 173.819 6.288 19553 3526 1 10 . 1 1 117 117 SER CA C 117 58.416 58.416 58.119 0.297 19553 3527 1 10 . 1 1 117 117 SER CB C 117 63.758 63.758 63.946 -0.188 19553 3528 1 10 . 1 1 117 117 SER H H 117 8.908 8.908 8.441 0.467 19553 3529 1 10 . 1 1 118 118 LEU N N 118 123.028 123.028 124.608 -1.580 19553 3530 1 10 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.658 -0.072 19553 3531 1 10 . 1 1 118 118 LEU C C 118 177.894 177.894 174.442 3.452 19553 3532 1 10 . 1 1 118 118 LEU CA C 118 54.117 54.117 53.667 0.450 19553 3533 1 10 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.360 -0.130 19553 3534 1 10 . 1 1 118 118 LEU H H 118 7.763 7.763 8.313 -0.550 19553 3535 1 10 . 1 1 119 119 TRP N N 119 120.523 120.523 124.856 -4.333 19553 3536 1 10 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.048 0.170 19553 3537 1 10 . 1 1 119 119 TRP C C 119 177.735 177.735 175.713 2.022 19553 3538 1 10 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.507 -0.066 19553 3539 1 10 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.639 1.542 19553 3540 1 10 . 1 1 119 119 TRP H H 119 8.102 8.102 8.586 -0.484 19553 3541 1 10 . 1 1 120 120 TYR N N 120 119.365 119.365 122.610 -3.245 19553 3542 1 10 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.838 0.017 19553 3543 1 10 . 1 1 120 120 TYR C C 120 179.683 179.683 174.678 5.005 19553 3544 1 10 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.394 -0.967 19553 3545 1 10 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.623 0.165 19553 3546 1 10 . 1 1 120 120 TYR H H 120 9.495 9.495 9.298 0.197 19553 3547 1 10 . 1 1 121 121 ILE N N 121 111.471 111.471 119.983 -8.512 19553 3548 1 10 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.566 0.129 19553 3549 1 10 . 1 1 121 121 ILE C C 121 177.137 177.137 175.155 1.982 19553 3550 1 10 . 1 1 121 121 ILE CA C 121 58.266 58.266 59.162 -0.896 19553 3551 1 10 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.469 1.722 19553 3552 1 10 . 1 1 121 121 ILE H H 121 8.338 8.338 8.471 -0.133 19553 3553 1 10 . 1 1 122 122 THR N N 122 116.120 116.120 121.580 -5.460 19553 3554 1 10 . 1 1 122 122 THR HA H 122 4.493 4.493 4.680 -0.187 19553 3555 1 10 . 1 1 122 122 THR C C 122 180.251 180.251 172.771 7.480 19553 3556 1 10 . 1 1 122 122 THR CA C 122 61.437 61.437 61.568 -0.131 19553 3557 1 10 . 1 1 122 122 THR CB C 122 71.892 71.892 71.548 0.344 19553 3558 1 10 . 1 1 122 122 THR H H 122 7.796 7.796 8.319 -0.523 19553 3559 1 10 . 1 1 123 123 VAL N N 123 128.072 128.072 127.002 1.070 19553 3560 1 10 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.461 -0.189 19553 3561 1 10 . 1 1 123 123 VAL C C 123 178.576 178.576 174.923 3.653 19553 3562 1 10 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.116 1.842 19553 3563 1 10 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.514 -0.482 19553 3564 1 10 . 1 1 123 123 VAL H H 123 9.009 9.009 8.531 0.478 19553 3565 1 10 . 1 1 124 124 MET N N 124 127.234 127.234 128.286 -1.052 19553 3566 1 10 . 1 1 124 124 MET HA H 124 5.053 5.053 4.887 0.166 19553 3567 1 10 . 1 1 124 124 MET CA C 124 50.145 50.145 51.070 -0.925 19553 3568 1 10 . 1 1 124 124 MET CB C 124 33.625 33.625 33.432 0.193 19553 3569 1 10 . 1 1 124 124 MET H H 124 8.799 8.799 8.181 0.618 19553 3570 1 10 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.671 0.220 19553 3571 1 10 . 1 1 125 125 PRO C C 125 174.594 174.594 176.168 -1.574 19553 3572 1 10 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.016 -0.452 19553 3573 1 10 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.559 -1.249 19553 3574 1 10 . 1 1 126 126 CYS N N 126 119.444 119.444 122.021 -2.577 19553 3575 1 10 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.618 0.513 19553 3576 1 10 . 1 1 126 126 CYS C C 126 177.425 177.425 175.671 1.754 19553 3577 1 10 . 1 1 126 126 CYS CA C 126 53.556 53.556 59.227 -5.671 19553 3578 1 10 . 1 1 126 126 CYS CB C 126 38.277 38.277 27.812 10.465 19553 3579 1 10 . 1 1 126 126 CYS H H 126 8.355 8.355 8.634 -0.279 19553 3580 1 10 . 1 1 127 127 SER N N 127 117.888 117.888 116.113 1.775 19553 3581 1 10 . 1 1 127 127 SER HA H 127 4.382 4.382 4.369 0.013 19553 3582 1 10 . 1 1 127 127 SER C C 127 178.499 178.499 175.049 3.450 19553 3583 1 10 . 1 1 127 127 SER CA C 127 59.179 59.179 58.435 0.744 19553 3584 1 10 . 1 1 127 127 SER CB C 127 63.503 63.503 63.867 -0.365 19553 3585 1 10 . 1 1 127 127 SER H H 127 8.255 8.255 8.522 -0.267 19553 3586 1 10 . 1 1 128 128 ILE N N 128 125.176 125.176 126.518 -1.342 19553 3587 1 10 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.814 0.174 19553 3588 1 10 . 1 1 128 128 ILE C C 128 176.825 176.825 177.360 -0.535 19553 3589 1 10 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.173 0.134 19553 3590 1 10 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.505 0.120 19553 3591 1 10 . 1 1 128 128 ILE H H 128 8.727 8.727 8.579 0.148 19553 3592 1 10 . 1 1 129 129 GLY N N 129 114.581 114.581 114.713 -0.132 19553 3593 1 10 . 1 1 129 129 GLY C C 129 178.928 178.928 174.153 4.775 19553 3594 1 10 . 1 1 129 129 GLY CA C 129 44.884 44.884 44.960 -0.076 19553 3595 1 10 . 1 1 129 129 GLY H H 129 8.888 8.888 8.480 0.408 19553 3596 1 10 . 1 1 130 130 THR N N 130 110.279 110.279 112.151 -1.872 19553 3597 1 10 . 1 1 130 130 THR HA H 130 5.294 5.294 5.245 0.049 19553 3598 1 10 . 1 1 130 130 THR C C 130 180.377 180.377 172.810 7.567 19553 3599 1 10 . 1 1 130 130 THR CA C 130 60.262 60.262 60.021 0.241 19553 3600 1 10 . 1 1 130 130 THR CB C 130 72.701 72.701 72.143 0.558 19553 3601 1 10 . 1 1 130 130 THR H H 130 8.132 8.132 7.881 0.251 19553 3602 1 10 . 1 1 131 131 LYS N N 131 117.394 117.394 118.255 -0.861 19553 3603 1 10 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.198 -0.369 19553 3604 1 10 . 1 1 131 131 LYS C C 131 179.939 179.939 174.464 5.475 19553 3605 1 10 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.517 -0.464 19553 3606 1 10 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.313 -0.368 19553 3607 1 10 . 1 1 131 131 LYS H H 131 9.579 9.579 9.098 0.481 19553 3608 1 10 . 1 1 132 132 PHE N N 132 123.518 123.518 123.348 0.170 19553 3609 1 10 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.762 -0.369 19553 3610 1 10 . 1 1 132 132 PHE C C 132 178.908 178.908 174.965 3.943 19553 3611 1 10 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.714 1.212 19553 3612 1 10 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.799 -1.504 19553 3613 1 10 . 1 1 132 132 PHE H H 132 9.347 9.347 8.909 0.438 19553 3614 1 10 . 1 1 133 133 ASP N N 133 130.494 130.494 127.060 3.434 19553 3615 1 10 . 1 1 133 133 ASP HA H 133 4.976 4.976 5.012 -0.036 19553 3616 1 10 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.339 -0.488 19553 3617 1 10 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.167 0.249 19553 3618 1 10 . 1 1 133 133 ASP H H 133 8.091 8.091 8.226 -0.135 19553 3619 1 10 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.543 -0.466 19553 3620 1 10 . 1 1 134 134 PRO C C 134 176.646 176.646 176.910 -0.264 19553 3621 1 10 . 1 1 134 134 PRO CA C 134 63.636 63.636 65.008 -1.373 19553 3622 1 10 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.132 0.668 19553 3623 1 10 . 1 1 135 135 ILE N N 135 118.026 118.026 116.890 1.136 19553 3624 1 10 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.024 -0.124 19553 3625 1 10 . 1 1 135 135 ILE C C 135 175.842 175.842 177.610 -1.768 19553 3626 1 10 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.188 1.202 19553 3627 1 10 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.367 -1.450 19553 3628 1 10 . 1 1 135 135 ILE H H 135 7.844 7.844 7.519 0.325 19553 3629 1 10 . 1 1 136 136 SER N N 136 113.845 113.845 114.527 -0.682 19553 3630 1 10 . 1 1 136 136 SER HA H 136 4.144 4.144 4.208 -0.064 19553 3631 1 10 . 1 1 136 136 SER C C 136 178.752 178.752 174.469 4.283 19553 3632 1 10 . 1 1 136 136 SER CA C 136 59.461 59.461 60.416 -0.955 19553 3633 1 10 . 1 1 136 136 SER CB C 136 63.840 63.840 63.651 0.189 19553 3634 1 10 . 1 1 136 136 SER H H 136 7.779 7.779 9.019 -1.240 19553 3635 1 10 . 1 1 137 137 ARG N N 137 116.720 116.720 115.670 1.050 19553 3636 1 10 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.914 -0.683 19553 3637 1 10 . 1 1 137 137 ARG C C 137 180.002 180.002 174.029 5.973 19553 3638 1 10 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.816 0.294 19553 3639 1 10 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.316 -1.113 19553 3640 1 10 . 1 1 137 137 ARG H H 137 7.935 7.935 8.106 -0.171 19553 3641 1 10 . 1 1 138 138 ASN N N 138 113.845 113.845 112.794 1.051 19553 3642 1 10 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.634 0.067 19553 3643 1 10 . 1 1 138 138 ASN C C 138 179.580 179.580 171.842 7.738 19553 3644 1 10 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.866 -1.054 19553 3645 1 10 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.779 0.966 19553 3646 1 10 . 1 1 138 138 ASN H H 138 6.857 6.857 7.003 -0.146 19553 3647 1 10 . 1 1 139 139 CYS N N 139 120.168 120.168 118.085 2.083 19553 3648 1 10 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.125 0.095 19553 3649 1 10 . 1 1 139 139 CYS C C 139 178.616 178.616 175.261 3.355 19553 3650 1 10 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.110 -1.922 19553 3651 1 10 . 1 1 139 139 CYS CB C 139 40.808 40.808 26.693 14.115 19553 3652 1 10 . 1 1 139 139 CYS H H 139 8.519 8.519 8.503 0.016 19553 3653 1 10 . 1 1 140 140 VAL N N 140 119.928 119.928 121.192 -1.264 19553 3654 1 10 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.605 0.062 19553 3655 1 10 . 1 1 140 140 VAL C C 140 178.299 178.299 174.307 3.992 19553 3656 1 10 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.627 -0.489 19553 3657 1 10 . 1 1 140 140 VAL CB C 140 35.402 35.402 33.493 1.909 19553 3658 1 10 . 1 1 140 140 VAL H H 140 9.531 9.531 9.141 0.390 19553 3659 1 10 . 1 1 141 141 LEU N N 141 121.749 121.749 122.695 -0.946 19553 3660 1 10 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.256 -0.247 19553 3661 1 10 . 1 1 141 141 LEU C C 141 176.847 176.847 176.136 0.711 19553 3662 1 10 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.863 0.979 19553 3663 1 10 . 1 1 141 141 LEU CB C 141 42.202 42.202 42.033 0.169 19553 3664 1 10 . 1 1 141 141 LEU H H 141 8.363 8.363 8.458 -0.095 19553 3665 1 10 . 1 1 142 142 ASP N N 142 123.416 123.416 128.731 -5.315 19553 3666 1 10 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.735 -0.108 19553 3667 1 10 . 1 1 142 142 ASP C C 142 179.175 179.175 174.679 4.496 19553 3668 1 10 . 1 1 142 142 ASP CA C 142 53.044 53.044 53.626 -0.582 19553 3669 1 10 . 1 1 142 142 ASP CB C 142 40.741 40.741 40.914 -0.173 19553 3670 1 10 . 1 1 142 142 ASP H H 142 8.271 8.271 8.289 -0.018 19553 3671 1 11 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.598 -0.077 19553 3672 1 11 . 1 1 76 76 PRO C C 76 176.427 176.427 176.206 0.221 19553 3673 1 11 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.819 0.238 19553 3674 1 11 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.349 0.012 19553 3675 1 11 . 1 1 77 77 LEU N N 77 122.647 122.647 122.715 -0.068 19553 3676 1 11 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.611 -0.182 19553 3677 1 11 . 1 1 77 77 LEU C C 77 175.532 175.532 176.939 -1.407 19553 3678 1 11 . 1 1 77 77 LEU CA C 77 55.650 55.650 53.745 1.905 19553 3679 1 11 . 1 1 77 77 LEU CB C 77 42.341 42.341 44.723 -2.382 19553 3680 1 11 . 1 1 77 77 LEU H H 77 8.571 8.571 8.132 0.439 19553 3681 1 11 . 1 1 78 78 GLY N N 78 110.072 110.072 106.405 3.667 19553 3682 1 11 . 1 1 78 78 GLY C C 78 179.395 179.395 175.405 3.990 19553 3683 1 11 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.412 -0.142 19553 3684 1 11 . 1 1 78 78 GLY H H 78 8.483 8.483 8.540 -0.057 19553 3685 1 11 . 1 1 79 79 SER N N 79 115.122 115.122 116.067 -0.945 19553 3686 1 11 . 1 1 79 79 SER HA H 79 4.549 4.549 3.920 0.629 19553 3687 1 11 . 1 1 79 79 SER C C 79 179.859 179.859 173.493 6.366 19553 3688 1 11 . 1 1 79 79 SER CA C 79 58.151 58.151 59.738 -1.587 19553 3689 1 11 . 1 1 79 79 SER CB C 79 64.330 64.330 63.380 0.950 19553 3690 1 11 . 1 1 79 79 SER H H 79 8.151 8.151 8.065 0.087 19553 3691 1 11 . 1 1 80 80 ASP N N 80 122.779 122.779 120.023 2.756 19553 3692 1 11 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.195 -0.442 19553 3693 1 11 . 1 1 80 80 ASP C C 80 178.137 178.137 174.786 3.351 19553 3694 1 11 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.189 0.839 19553 3695 1 11 . 1 1 80 80 ASP CB C 80 41.202 41.202 42.235 -1.033 19553 3696 1 11 . 1 1 80 80 ASP H H 80 8.294 8.294 7.870 0.424 19553 3697 1 11 . 1 1 81 81 LEU N N 81 125.106 125.106 126.362 -1.256 19553 3698 1 11 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.775 -0.292 19553 3699 1 11 . 1 1 81 81 LEU C C 81 178.326 178.326 174.736 3.590 19553 3700 1 11 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.113 0.997 19553 3701 1 11 . 1 1 81 81 LEU CB C 81 42.090 42.090 44.368 -2.278 19553 3702 1 11 . 1 1 81 81 LEU H H 81 8.532 8.532 8.800 -0.268 19553 3703 1 11 . 1 1 82 82 ILE N N 82 120.036 120.036 125.191 -5.155 19553 3704 1 11 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.618 0.202 19553 3705 1 11 . 1 1 82 82 ILE C C 82 177.782 177.782 175.726 2.056 19553 3706 1 11 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.183 -1.009 19553 3707 1 11 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.209 1.710 19553 3708 1 11 . 1 1 82 82 ILE H H 82 7.848 7.848 8.310 -0.462 19553 3709 1 11 . 1 1 83 83 VAL N N 83 119.733 119.733 120.448 -0.715 19553 3710 1 11 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.669 -0.239 19553 3711 1 11 . 1 1 83 83 VAL C C 83 179.809 179.809 174.032 5.777 19553 3712 1 11 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.243 0.209 19553 3713 1 11 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.834 -0.681 19553 3714 1 11 . 1 1 83 83 VAL H H 83 8.511 8.511 9.058 -0.547 19553 3715 1 11 . 1 1 84 84 HIS N N 84 122.907 122.907 120.971 1.936 19553 3716 1 11 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.654 -0.094 19553 3717 1 11 . 1 1 84 84 HIS C C 84 178.593 178.593 175.245 3.348 19553 3718 1 11 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.327 -0.750 19553 3719 1 11 . 1 1 84 84 HIS CB C 84 30.967 30.967 31.152 -0.185 19553 3720 1 11 . 1 1 84 84 HIS H H 84 8.908 8.908 8.599 0.309 19553 3721 1 11 . 1 1 85 85 GLU N N 85 124.766 124.766 125.452 -0.686 19553 3722 1 11 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.461 0.305 19553 3723 1 11 . 1 1 85 85 GLU C C 85 176.641 176.641 177.049 -0.408 19553 3724 1 11 . 1 1 85 85 GLU CA C 85 56.372 56.372 55.087 1.285 19553 3725 1 11 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.578 3.342 19553 3726 1 11 . 1 1 85 85 GLU H H 85 8.979 8.979 9.216 -0.237 19553 3727 1 11 . 1 1 86 86 GLY N N 86 119.987 119.987 114.111 5.876 19553 3728 1 11 . 1 1 86 86 GLY C C 86 178.249 178.249 174.750 3.499 19553 3729 1 11 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.386 1.890 19553 3730 1 11 . 1 1 86 86 GLY H H 86 9.540 9.540 9.191 0.349 19553 3731 1 11 . 1 1 87 87 GLY N N 87 108.242 108.242 104.477 3.765 19553 3732 1 11 . 1 1 87 87 GLY C C 87 179.578 179.578 174.884 4.694 19553 3733 1 11 . 1 1 87 87 GLY CA C 87 44.941 44.941 44.916 0.025 19553 3734 1 11 . 1 1 87 87 GLY H H 87 8.920 8.920 8.411 0.509 19553 3735 1 11 . 1 1 88 88 LYS N N 88 121.010 121.010 123.406 -2.396 19553 3736 1 11 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.672 -0.054 19553 3737 1 11 . 1 1 88 88 LYS C C 88 178.241 178.241 175.665 2.576 19553 3738 1 11 . 1 1 88 88 LYS CA C 88 54.917 54.917 55.056 -0.139 19553 3739 1 11 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.436 1.716 19553 3740 1 11 . 1 1 88 88 LYS H H 88 7.858 7.858 7.792 0.066 19553 3741 1 11 . 1 1 89 89 THR N N 89 117.172 117.172 115.613 1.559 19553 3742 1 11 . 1 1 89 89 THR HA H 89 4.691 4.691 4.963 -0.272 19553 3743 1 11 . 1 1 89 89 THR C C 89 180.192 180.192 174.280 5.912 19553 3744 1 11 . 1 1 89 89 THR CA C 89 61.646 61.646 61.433 0.213 19553 3745 1 11 . 1 1 89 89 THR CB C 89 70.339 70.339 68.592 1.747 19553 3746 1 11 . 1 1 89 89 THR H H 89 8.230 8.230 8.283 -0.053 19553 3747 1 11 . 1 1 90 90 TYR N N 90 123.521 123.521 125.319 -1.798 19553 3748 1 11 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.800 -0.121 19553 3749 1 11 . 1 1 90 90 TYR C C 90 179.282 179.282 174.816 4.466 19553 3750 1 11 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.752 -0.345 19553 3751 1 11 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.353 -1.381 19553 3752 1 11 . 1 1 90 90 TYR H H 90 8.927 8.927 9.119 -0.192 19553 3753 1 11 . 1 1 91 91 HIS N N 91 120.999 120.999 121.491 -0.492 19553 3754 1 11 . 1 1 91 91 HIS HA H 91 5.086 5.086 4.709 0.377 19553 3755 1 11 . 1 1 91 91 HIS C C 91 178.719 178.719 174.568 4.151 19553 3756 1 11 . 1 1 91 91 HIS CA C 91 54.983 54.983 56.114 -1.131 19553 3757 1 11 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.393 -1.901 19553 3758 1 11 . 1 1 91 91 HIS H H 91 8.987 8.987 8.713 0.274 19553 3759 1 11 . 1 1 92 92 VAL N N 92 120.849 120.849 123.847 -2.998 19553 3760 1 11 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.280 0.120 19553 3761 1 11 . 1 1 92 92 VAL C C 92 180.110 180.110 173.953 6.157 19553 3762 1 11 . 1 1 92 92 VAL CA C 92 60.160 60.160 60.872 -0.712 19553 3763 1 11 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.296 1.247 19553 3764 1 11 . 1 1 92 92 VAL H H 92 8.677 8.677 8.921 -0.244 19553 3765 1 11 . 1 1 93 93 VAL N N 93 121.626 121.626 126.065 -4.439 19553 3766 1 11 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.935 -0.754 19553 3767 1 11 . 1 1 93 93 VAL C C 93 178.555 178.555 175.148 3.407 19553 3768 1 11 . 1 1 93 93 VAL CA C 93 60.547 60.547 59.724 0.823 19553 3769 1 11 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.394 -0.119 19553 3770 1 11 . 1 1 93 93 VAL H H 93 7.997 7.997 8.280 -0.283 19553 3771 1 11 . 1 1 94 94 CYS N N 94 123.035 123.035 126.578 -3.543 19553 3772 1 11 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.769 -0.376 19553 3773 1 11 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.419 -4.928 19553 3774 1 11 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.443 15.049 19553 3775 1 11 . 1 1 94 94 CYS H H 94 7.890 7.890 8.307 -0.417 19553 3776 1 11 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.398 0.035 19553 3777 1 11 . 1 1 95 95 HIS C C 95 179.991 179.991 174.213 5.778 19553 3778 1 11 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.939 -1.528 19553 3779 1 11 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.718 0.557 19553 3780 1 11 . 1 1 96 96 GLU N N 96 117.019 117.019 118.840 -1.821 19553 3781 1 11 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.747 0.094 19553 3782 1 11 . 1 1 96 96 GLU C C 96 178.360 178.360 174.997 3.363 19553 3783 1 11 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.208 -0.768 19553 3784 1 11 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.522 -0.017 19553 3785 1 11 . 1 1 96 96 GLU H H 96 7.623 7.623 8.135 -0.512 19553 3786 1 11 . 1 1 97 97 GLU N N 97 121.779 121.779 120.773 1.006 19553 3787 1 11 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.451 -0.008 19553 3788 1 11 . 1 1 97 97 GLU C C 97 176.658 176.658 176.242 0.416 19553 3789 1 11 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.766 1.166 19553 3790 1 11 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.334 0.317 19553 3791 1 11 . 1 1 97 97 GLU H H 97 9.280 9.280 8.792 0.488 19553 3792 1 11 . 1 1 98 98 GLY N N 98 109.900 109.900 110.942 -1.042 19553 3793 1 11 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.314 -0.038 19553 3794 1 11 . 1 1 98 98 GLY H H 98 8.745 8.745 8.668 0.077 19553 3795 1 11 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.467 0.202 19553 3796 1 11 . 1 1 99 99 PRO C C 99 176.795 176.795 176.155 0.640 19553 3797 1 11 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.388 0.183 19553 3798 1 11 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.606 1.081 19553 3799 1 11 . 1 1 100 100 ILE N N 100 118.686 118.686 118.587 0.099 19553 3800 1 11 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.117 -0.210 19553 3801 1 11 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.642 1.564 19553 3802 1 11 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.439 0.665 19553 3803 1 11 . 1 1 100 100 ILE H H 100 9.748 9.748 8.996 0.752 19553 3804 1 11 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.627 -0.496 19553 3805 1 11 . 1 1 101 101 PRO C C 101 177.525 177.525 176.304 1.221 19553 3806 1 11 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.982 0.101 19553 3807 1 11 . 1 1 101 101 PRO CB C 101 31.670 31.670 33.048 -1.378 19553 3808 1 11 . 1 1 102 102 HIS N N 102 123.222 123.222 119.605 3.617 19553 3809 1 11 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.765 -0.177 19553 3810 1 11 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.301 -1.737 19553 3811 1 11 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.457 -0.587 19553 3812 1 11 . 1 1 102 102 HIS H H 102 8.717 8.717 8.599 0.118 19553 3813 1 11 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.279 0.002 19553 3814 1 11 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.820 -1.345 19553 3815 1 11 . 1 1 103 103 PRO CB C 103 31.986 31.986 32.151 -0.165 19553 3816 1 11 . 1 1 104 104 GLY N N 104 106.530 106.530 107.563 -1.033 19553 3817 1 11 . 1 1 104 104 GLY C C 104 180.058 180.058 174.099 5.959 19553 3818 1 11 . 1 1 104 104 GLY CA C 104 44.711 44.711 45.793 -1.082 19553 3819 1 11 . 1 1 104 104 GLY H H 104 9.682 9.682 8.149 1.533 19553 3820 1 11 . 1 1 105 105 ASN N N 105 118.099 118.099 119.152 -1.053 19553 3821 1 11 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.892 -0.216 19553 3822 1 11 . 1 1 105 105 ASN C C 105 178.082 178.082 175.598 2.484 19553 3823 1 11 . 1 1 105 105 ASN CA C 105 53.234 53.234 52.005 1.229 19553 3824 1 11 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.543 -0.370 19553 3825 1 11 . 1 1 105 105 ASN H H 105 6.870 6.870 7.706 -0.836 19553 3826 1 11 . 1 1 106 106 VAL N N 106 123.752 123.752 122.969 0.783 19553 3827 1 11 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.757 0.822 19553 3828 1 11 . 1 1 106 106 VAL C C 106 178.463 178.463 177.328 1.135 19553 3829 1 11 . 1 1 106 106 VAL CA C 106 63.313 63.313 65.126 -1.813 19553 3830 1 11 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.750 -0.138 19553 3831 1 11 . 1 1 106 106 VAL H H 106 8.774 8.774 9.098 -0.324 19553 3832 1 11 . 1 1 107 107 HIS N N 107 116.712 116.712 117.895 -1.183 19553 3833 1 11 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.618 -0.028 19553 3834 1 11 . 1 1 107 107 HIS C C 107 180.421 180.421 174.913 5.508 19553 3835 1 11 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.702 -1.053 19553 3836 1 11 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.294 -1.540 19553 3837 1 11 . 1 1 107 107 HIS H H 107 9.171 9.171 8.531 0.640 19553 3838 1 11 . 1 1 108 108 LYS N N 108 119.379 119.379 116.722 2.657 19553 3839 1 11 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.917 0.201 19553 3840 1 11 . 1 1 108 108 LYS C C 108 181.487 181.487 174.664 6.823 19553 3841 1 11 . 1 1 108 108 LYS CA C 108 54.558 54.558 54.919 -0.361 19553 3842 1 11 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.848 2.501 19553 3843 1 11 . 1 1 108 108 LYS H H 108 7.627 7.627 7.626 0.001 19553 3844 1 11 . 1 1 109 109 TYR N N 109 114.203 114.203 117.500 -3.297 19553 3845 1 11 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.809 -0.232 19553 3846 1 11 . 1 1 109 109 TYR C C 109 181.588 181.588 172.761 8.827 19553 3847 1 11 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.948 0.419 19553 3848 1 11 . 1 1 109 109 TYR CB C 109 37.795 37.795 40.903 -3.108 19553 3849 1 11 . 1 1 109 109 TYR H H 109 9.006 9.006 9.130 -0.124 19553 3850 1 11 . 1 1 110 110 ILE N N 110 119.840 119.840 118.177 1.663 19553 3851 1 11 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.743 -0.058 19553 3852 1 11 . 1 1 110 110 ILE C C 110 178.917 178.917 174.906 4.011 19553 3853 1 11 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.268 -0.028 19553 3854 1 11 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.673 -0.443 19553 3855 1 11 . 1 1 110 110 ILE H H 110 8.764 8.764 9.114 -0.350 19553 3856 1 11 . 1 1 111 111 ILE N N 111 124.346 124.346 126.730 -2.384 19553 3857 1 11 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.460 -0.128 19553 3858 1 11 . 1 1 111 111 ILE C C 111 175.896 175.896 174.791 1.105 19553 3859 1 11 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.277 0.424 19553 3860 1 11 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.292 1.221 19553 3861 1 11 . 1 1 111 111 ILE H H 111 9.032 9.032 8.623 0.409 19553 3862 1 11 . 1 1 112 112 CYS N N 112 128.772 128.772 128.822 -0.050 19553 3863 1 11 . 1 1 112 112 CYS HA H 112 5.081 5.081 5.322 -0.241 19553 3864 1 11 . 1 1 112 112 CYS C C 112 178.268 178.268 174.427 3.841 19553 3865 1 11 . 1 1 112 112 CYS CA C 112 57.242 57.242 57.741 -0.499 19553 3866 1 11 . 1 1 112 112 CYS CB C 112 43.955 43.955 28.061 15.894 19553 3867 1 11 . 1 1 112 112 CYS H H 112 8.517 8.517 8.575 -0.058 19553 3868 1 11 . 1 1 113 113 SER N N 113 120.988 120.988 119.849 1.139 19553 3869 1 11 . 1 1 113 113 SER HA H 113 4.996 4.996 4.982 0.014 19553 3870 1 11 . 1 1 113 113 SER C C 113 182.750 182.750 172.304 10.446 19553 3871 1 11 . 1 1 113 113 SER CA C 113 57.517 57.517 56.664 0.853 19553 3872 1 11 . 1 1 113 113 SER CB C 113 65.528 65.528 65.850 -0.322 19553 3873 1 11 . 1 1 113 113 SER H H 113 9.361 9.361 9.464 -0.103 19553 3874 1 11 . 1 1 114 114 LYS N N 114 123.657 123.657 123.645 0.012 19553 3875 1 11 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.135 0.469 19553 3876 1 11 . 1 1 114 114 LYS C C 114 176.524 176.524 176.228 0.296 19553 3877 1 11 . 1 1 114 114 LYS CA C 114 54.862 54.862 55.012 -0.150 19553 3878 1 11 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.275 1.108 19553 3879 1 11 . 1 1 114 114 LYS H H 114 8.899 8.899 8.596 0.303 19553 3880 1 11 . 1 1 115 115 SER N N 115 119.515 119.515 124.388 -4.873 19553 3881 1 11 . 1 1 115 115 SER HA H 115 4.589 4.589 4.696 -0.107 19553 3882 1 11 . 1 1 115 115 SER C C 115 178.064 178.064 174.764 3.300 19553 3883 1 11 . 1 1 115 115 SER CA C 115 56.468 56.468 57.550 -1.082 19553 3884 1 11 . 1 1 115 115 SER CB C 115 63.236 63.236 61.910 1.327 19553 3885 1 11 . 1 1 115 115 SER H H 115 8.560 8.560 9.043 -0.483 19553 3886 1 11 . 1 1 116 116 GLY N N 116 118.606 118.606 114.397 4.209 19553 3887 1 11 . 1 1 116 116 GLY C C 116 178.577 178.577 174.602 3.975 19553 3888 1 11 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.350 0.597 19553 3889 1 11 . 1 1 116 116 GLY H H 116 9.067 9.067 7.889 1.178 19553 3890 1 11 . 1 1 117 117 SER N N 117 121.443 121.443 118.835 2.608 19553 3891 1 11 . 1 1 117 117 SER HA H 117 4.310 4.310 4.652 -0.342 19553 3892 1 11 . 1 1 117 117 SER C C 117 180.107 180.107 173.227 6.880 19553 3893 1 11 . 1 1 117 117 SER CA C 117 58.416 58.416 58.069 0.347 19553 3894 1 11 . 1 1 117 117 SER CB C 117 63.758 63.758 64.394 -0.636 19553 3895 1 11 . 1 1 117 117 SER H H 117 8.908 8.908 8.316 0.592 19553 3896 1 11 . 1 1 118 118 LEU N N 118 123.028 123.028 124.014 -0.986 19553 3897 1 11 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.725 -0.139 19553 3898 1 11 . 1 1 118 118 LEU C C 118 177.894 177.894 174.048 3.846 19553 3899 1 11 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.170 -0.053 19553 3900 1 11 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.128 0.102 19553 3901 1 11 . 1 1 118 118 LEU H H 118 7.763 7.763 7.260 0.503 19553 3902 1 11 . 1 1 119 119 TRP N N 119 120.523 120.523 126.470 -5.947 19553 3903 1 11 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.157 0.061 19553 3904 1 11 . 1 1 119 119 TRP C C 119 177.735 177.735 176.117 1.618 19553 3905 1 11 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.710 -0.269 19553 3906 1 11 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.230 1.951 19553 3907 1 11 . 1 1 119 119 TRP H H 119 8.102 8.102 8.681 -0.579 19553 3908 1 11 . 1 1 120 120 TYR N N 120 119.365 119.365 123.797 -4.432 19553 3909 1 11 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.784 0.071 19553 3910 1 11 . 1 1 120 120 TYR C C 120 179.683 179.683 175.213 4.470 19553 3911 1 11 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.848 -1.421 19553 3912 1 11 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.092 0.696 19553 3913 1 11 . 1 1 120 120 TYR H H 120 9.495 9.495 9.332 0.163 19553 3914 1 11 . 1 1 121 121 ILE N N 121 111.471 111.471 120.053 -8.582 19553 3915 1 11 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.644 0.051 19553 3916 1 11 . 1 1 121 121 ILE C C 121 177.137 177.137 175.639 1.498 19553 3917 1 11 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.245 0.021 19553 3918 1 11 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.937 1.254 19553 3919 1 11 . 1 1 121 121 ILE H H 121 8.338 8.338 8.542 -0.204 19553 3920 1 11 . 1 1 122 122 THR N N 122 116.120 116.120 118.983 -2.863 19553 3921 1 11 . 1 1 122 122 THR HA H 122 4.493 4.493 4.533 -0.040 19553 3922 1 11 . 1 1 122 122 THR C C 122 180.251 180.251 172.400 7.851 19553 3923 1 11 . 1 1 122 122 THR CA C 122 61.437 61.437 62.053 -0.616 19553 3924 1 11 . 1 1 122 122 THR CB C 122 71.892 71.892 70.909 0.983 19553 3925 1 11 . 1 1 122 122 THR H H 122 7.796 7.796 8.563 -0.767 19553 3926 1 11 . 1 1 123 123 VAL N N 123 128.072 128.072 127.295 0.777 19553 3927 1 11 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.592 -0.320 19553 3928 1 11 . 1 1 123 123 VAL C C 123 178.576 178.576 174.526 4.050 19553 3929 1 11 . 1 1 123 123 VAL CA C 123 62.958 62.958 60.484 2.474 19553 3930 1 11 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.702 -0.670 19553 3931 1 11 . 1 1 123 123 VAL H H 123 9.009 9.009 8.646 0.363 19553 3932 1 11 . 1 1 124 124 MET N N 124 127.234 127.234 128.541 -1.307 19553 3933 1 11 . 1 1 124 124 MET HA H 124 5.053 5.053 4.902 0.151 19553 3934 1 11 . 1 1 124 124 MET CA C 124 50.145 50.145 51.300 -1.155 19553 3935 1 11 . 1 1 124 124 MET CB C 124 33.625 33.625 34.777 -1.152 19553 3936 1 11 . 1 1 124 124 MET H H 124 8.799 8.799 8.618 0.181 19553 3937 1 11 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.697 0.194 19553 3938 1 11 . 1 1 125 125 PRO C C 125 174.594 174.594 176.073 -1.479 19553 3939 1 11 . 1 1 125 125 PRO CA C 125 61.564 61.564 61.970 -0.406 19553 3940 1 11 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.342 -1.032 19553 3941 1 11 . 1 1 126 126 CYS N N 126 119.444 119.444 122.102 -2.658 19553 3942 1 11 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.544 0.587 19553 3943 1 11 . 1 1 126 126 CYS C C 126 177.425 177.425 175.716 1.709 19553 3944 1 11 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.781 -5.224 19553 3945 1 11 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.391 9.886 19553 3946 1 11 . 1 1 126 126 CYS H H 126 8.355 8.355 8.496 -0.141 19553 3947 1 11 . 1 1 127 127 SER N N 127 117.888 117.888 115.078 2.810 19553 3948 1 11 . 1 1 127 127 SER HA H 127 4.382 4.382 4.427 -0.045 19553 3949 1 11 . 1 1 127 127 SER C C 127 178.499 178.499 174.922 3.577 19553 3950 1 11 . 1 1 127 127 SER CA C 127 59.179 59.179 58.297 0.882 19553 3951 1 11 . 1 1 127 127 SER CB C 127 63.503 63.503 63.832 -0.329 19553 3952 1 11 . 1 1 127 127 SER H H 127 8.255 8.255 8.541 -0.286 19553 3953 1 11 . 1 1 128 128 ILE N N 128 125.176 125.176 124.613 0.563 19553 3954 1 11 . 1 1 128 128 ILE HA H 128 3.988 3.988 4.101 -0.113 19553 3955 1 11 . 1 1 128 128 ILE C C 128 176.825 176.825 177.574 -0.749 19553 3956 1 11 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.163 0.144 19553 3957 1 11 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.326 0.299 19553 3958 1 11 . 1 1 128 128 ILE H H 128 8.727 8.727 8.658 0.069 19553 3959 1 11 . 1 1 129 129 GLY N N 129 114.581 114.581 116.140 -1.559 19553 3960 1 11 . 1 1 129 129 GLY C C 129 178.928 178.928 174.066 4.862 19553 3961 1 11 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.098 -0.214 19553 3962 1 11 . 1 1 129 129 GLY H H 129 8.888 8.888 8.751 0.137 19553 3963 1 11 . 1 1 130 130 THR N N 130 110.279 110.279 114.451 -4.172 19553 3964 1 11 . 1 1 130 130 THR HA H 130 5.294 5.294 5.299 -0.005 19553 3965 1 11 . 1 1 130 130 THR C C 130 180.377 180.377 173.428 6.949 19553 3966 1 11 . 1 1 130 130 THR CA C 130 60.262 60.262 60.462 -0.200 19553 3967 1 11 . 1 1 130 130 THR CB C 130 72.701 72.701 71.684 1.017 19553 3968 1 11 . 1 1 130 130 THR H H 130 8.132 8.132 7.948 0.184 19553 3969 1 11 . 1 1 131 131 LYS N N 131 117.394 117.394 120.120 -2.726 19553 3970 1 11 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.014 -0.185 19553 3971 1 11 . 1 1 131 131 LYS C C 131 179.939 179.939 174.687 5.252 19553 3972 1 11 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.255 -0.202 19553 3973 1 11 . 1 1 131 131 LYS CB C 131 35.945 35.945 35.733 0.212 19553 3974 1 11 . 1 1 131 131 LYS H H 131 9.579 9.579 9.166 0.413 19553 3975 1 11 . 1 1 132 132 PHE N N 132 123.518 123.518 123.984 -0.466 19553 3976 1 11 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.783 -0.390 19553 3977 1 11 . 1 1 132 132 PHE C C 132 178.908 178.908 174.921 3.987 19553 3978 1 11 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.554 1.372 19553 3979 1 11 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.550 -1.255 19553 3980 1 11 . 1 1 132 132 PHE H H 132 9.347 9.347 8.727 0.620 19553 3981 1 11 . 1 1 133 133 ASP N N 133 130.494 130.494 127.411 3.083 19553 3982 1 11 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.977 -0.001 19553 3983 1 11 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.406 -0.555 19553 3984 1 11 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.149 0.267 19553 3985 1 11 . 1 1 133 133 ASP H H 133 8.091 8.091 8.228 -0.137 19553 3986 1 11 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.482 -0.405 19553 3987 1 11 . 1 1 134 134 PRO C C 134 176.646 176.646 177.635 -0.989 19553 3988 1 11 . 1 1 134 134 PRO CA C 134 63.636 63.636 65.070 -1.433 19553 3989 1 11 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.540 0.260 19553 3990 1 11 . 1 1 135 135 ILE N N 135 118.026 118.026 117.643 0.383 19553 3991 1 11 . 1 1 135 135 ILE HA H 135 3.900 3.900 3.950 -0.050 19553 3992 1 11 . 1 1 135 135 ILE C C 135 175.842 175.842 178.188 -2.346 19553 3993 1 11 . 1 1 135 135 ILE CA C 135 63.390 63.390 63.289 0.101 19553 3994 1 11 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.881 -1.965 19553 3995 1 11 . 1 1 135 135 ILE H H 135 7.844 7.844 7.539 0.305 19553 3996 1 11 . 1 1 136 136 SER N N 136 113.845 113.845 115.699 -1.854 19553 3997 1 11 . 1 1 136 136 SER HA H 136 4.144 4.144 4.221 -0.077 19553 3998 1 11 . 1 1 136 136 SER C C 136 178.752 178.752 174.837 3.915 19553 3999 1 11 . 1 1 136 136 SER CA C 136 59.461 59.461 59.715 -0.254 19553 4000 1 11 . 1 1 136 136 SER CB C 136 63.840 63.840 64.366 -0.526 19553 4001 1 11 . 1 1 136 136 SER H H 136 7.779 7.779 8.912 -1.133 19553 4002 1 11 . 1 1 137 137 ARG N N 137 116.720 116.720 118.019 -1.299 19553 4003 1 11 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.734 -0.503 19553 4004 1 11 . 1 1 137 137 ARG C C 137 180.002 180.002 173.992 6.010 19553 4005 1 11 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.595 0.515 19553 4006 1 11 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.271 -1.069 19553 4007 1 11 . 1 1 137 137 ARG H H 137 7.935 7.935 7.870 0.065 19553 4008 1 11 . 1 1 138 138 ASN N N 138 113.845 113.845 112.887 0.958 19553 4009 1 11 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.705 -0.004 19553 4010 1 11 . 1 1 138 138 ASN C C 138 179.580 179.580 172.304 7.276 19553 4011 1 11 . 1 1 138 138 ASN CA C 138 50.812 50.812 52.001 -1.189 19553 4012 1 11 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.742 1.003 19553 4013 1 11 . 1 1 138 138 ASN H H 138 6.857 6.857 6.942 -0.085 19553 4014 1 11 . 1 1 139 139 CYS N N 139 120.168 120.168 118.547 1.621 19553 4015 1 11 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.230 -0.010 19553 4016 1 11 . 1 1 139 139 CYS C C 139 178.616 178.616 174.769 3.847 19553 4017 1 11 . 1 1 139 139 CYS CA C 139 56.188 56.188 57.953 -1.765 19553 4018 1 11 . 1 1 139 139 CYS CB C 139 40.808 40.808 26.858 13.950 19553 4019 1 11 . 1 1 139 139 CYS H H 139 8.519 8.519 8.507 0.012 19553 4020 1 11 . 1 1 140 140 VAL N N 140 119.928 119.928 121.240 -1.312 19553 4021 1 11 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.599 0.068 19553 4022 1 11 . 1 1 140 140 VAL C C 140 178.299 178.299 174.677 3.622 19553 4023 1 11 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.815 -0.677 19553 4024 1 11 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.387 1.015 19553 4025 1 11 . 1 1 140 140 VAL H H 140 9.531 9.531 9.275 0.256 19553 4026 1 11 . 1 1 141 141 LEU N N 141 121.749 121.749 122.208 -0.459 19553 4027 1 11 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.324 -0.315 19553 4028 1 11 . 1 1 141 141 LEU C C 141 176.847 176.847 177.088 -0.241 19553 4029 1 11 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.518 1.324 19553 4030 1 11 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.974 0.228 19553 4031 1 11 . 1 1 141 141 LEU H H 141 8.363 8.363 8.577 -0.214 19553 4032 1 11 . 1 1 142 142 ASP N N 142 123.416 123.416 125.884 -2.468 19553 4033 1 11 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.710 -0.083 19553 4034 1 11 . 1 1 142 142 ASP C C 142 179.175 179.175 174.473 4.702 19553 4035 1 11 . 1 1 142 142 ASP CA C 142 53.044 53.044 53.624 -0.580 19553 4036 1 11 . 1 1 142 142 ASP CB C 142 40.741 40.741 40.864 -0.123 19553 4037 1 11 . 1 1 142 142 ASP H H 142 8.271 8.271 8.630 -0.359 19553 4038 1 12 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.431 0.090 19553 4039 1 12 . 1 1 76 76 PRO C C 76 176.427 176.427 176.598 -0.171 19553 4040 1 12 . 1 1 76 76 PRO CA C 76 63.057 63.057 63.213 -0.156 19553 4041 1 12 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.138 0.223 19553 4042 1 12 . 1 1 77 77 LEU N N 77 122.647 122.647 124.066 -1.419 19553 4043 1 12 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.517 -0.088 19553 4044 1 12 . 1 1 77 77 LEU C C 77 175.532 175.532 177.721 -2.189 19553 4045 1 12 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.219 1.431 19553 4046 1 12 . 1 1 77 77 LEU CB C 77 42.341 42.341 41.935 0.406 19553 4047 1 12 . 1 1 77 77 LEU H H 77 8.571 8.571 8.586 -0.015 19553 4048 1 12 . 1 1 78 78 GLY N N 78 110.072 110.072 104.983 5.089 19553 4049 1 12 . 1 1 78 78 GLY C C 78 179.395 179.395 175.479 3.916 19553 4050 1 12 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.765 -0.495 19553 4051 1 12 . 1 1 78 78 GLY H H 78 8.483 8.483 8.403 0.080 19553 4052 1 12 . 1 1 79 79 SER N N 79 115.122 115.122 115.300 -0.178 19553 4053 1 12 . 1 1 79 79 SER HA H 79 4.549 4.549 4.025 0.524 19553 4054 1 12 . 1 1 79 79 SER C C 79 179.859 179.859 173.562 6.297 19553 4055 1 12 . 1 1 79 79 SER CA C 79 58.151 58.151 59.980 -1.829 19553 4056 1 12 . 1 1 79 79 SER CB C 79 64.330 64.330 63.316 1.014 19553 4057 1 12 . 1 1 79 79 SER H H 79 8.151 8.151 8.176 -0.025 19553 4058 1 12 . 1 1 80 80 ASP N N 80 122.779 122.779 119.298 3.481 19553 4059 1 12 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.195 -0.442 19553 4060 1 12 . 1 1 80 80 ASP C C 80 178.137 178.137 174.826 3.311 19553 4061 1 12 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.533 0.494 19553 4062 1 12 . 1 1 80 80 ASP CB C 80 41.202 41.202 42.090 -0.888 19553 4063 1 12 . 1 1 80 80 ASP H H 80 8.294 8.294 7.673 0.621 19553 4064 1 12 . 1 1 81 81 LEU N N 81 125.106 125.106 126.549 -1.443 19553 4065 1 12 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.808 -0.325 19553 4066 1 12 . 1 1 81 81 LEU C C 81 178.326 178.326 174.892 3.434 19553 4067 1 12 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.268 0.842 19553 4068 1 12 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.615 -3.525 19553 4069 1 12 . 1 1 81 81 LEU H H 81 8.532 8.532 8.464 0.068 19553 4070 1 12 . 1 1 82 82 ILE N N 82 120.036 120.036 124.844 -4.808 19553 4071 1 12 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.828 -0.008 19553 4072 1 12 . 1 1 82 82 ILE C C 82 177.782 177.782 175.655 2.127 19553 4073 1 12 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.067 -0.893 19553 4074 1 12 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.217 1.702 19553 4075 1 12 . 1 1 82 82 ILE H H 82 7.848 7.848 8.283 -0.435 19553 4076 1 12 . 1 1 83 83 VAL N N 83 119.733 119.733 120.656 -0.923 19553 4077 1 12 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.662 -0.232 19553 4078 1 12 . 1 1 83 83 VAL C C 83 179.809 179.809 173.917 5.892 19553 4079 1 12 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.423 0.030 19553 4080 1 12 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.945 -0.792 19553 4081 1 12 . 1 1 83 83 VAL H H 83 8.511 8.511 8.642 -0.131 19553 4082 1 12 . 1 1 84 84 HIS N N 84 122.907 122.907 120.726 2.181 19553 4083 1 12 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.587 -0.027 19553 4084 1 12 . 1 1 84 84 HIS C C 84 178.593 178.593 174.902 3.691 19553 4085 1 12 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.347 -0.770 19553 4086 1 12 . 1 1 84 84 HIS CB C 84 30.967 30.967 30.993 -0.026 19553 4087 1 12 . 1 1 84 84 HIS H H 84 8.908 8.908 8.511 0.397 19553 4088 1 12 . 1 1 85 85 GLU N N 85 124.766 124.766 125.242 -0.476 19553 4089 1 12 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.601 0.165 19553 4090 1 12 . 1 1 85 85 GLU C C 85 176.641 176.641 177.142 -0.501 19553 4091 1 12 . 1 1 85 85 GLU CA C 85 56.372 56.372 55.139 1.233 19553 4092 1 12 . 1 1 85 85 GLU CB C 85 32.921 32.921 30.477 2.444 19553 4093 1 12 . 1 1 85 85 GLU H H 85 8.979 8.979 9.197 -0.218 19553 4094 1 12 . 1 1 86 86 GLY N N 86 119.987 119.987 114.188 5.799 19553 4095 1 12 . 1 1 86 86 GLY C C 86 178.249 178.249 174.803 3.446 19553 4096 1 12 . 1 1 86 86 GLY CA C 86 47.276 47.276 46.000 1.276 19553 4097 1 12 . 1 1 86 86 GLY H H 86 9.540 9.540 9.108 0.432 19553 4098 1 12 . 1 1 87 87 GLY N N 87 108.242 108.242 105.161 3.081 19553 4099 1 12 . 1 1 87 87 GLY C C 87 179.578 179.578 175.142 4.436 19553 4100 1 12 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.201 -0.260 19553 4101 1 12 . 1 1 87 87 GLY H H 87 8.920 8.920 8.545 0.375 19553 4102 1 12 . 1 1 88 88 LYS N N 88 121.010 121.010 123.466 -2.456 19553 4103 1 12 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.547 0.071 19553 4104 1 12 . 1 1 88 88 LYS C C 88 178.241 178.241 175.674 2.567 19553 4105 1 12 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.800 0.117 19553 4106 1 12 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.218 1.934 19553 4107 1 12 . 1 1 88 88 LYS H H 88 7.858 7.858 7.802 0.056 19553 4108 1 12 . 1 1 89 89 THR N N 89 117.172 117.172 114.868 2.304 19553 4109 1 12 . 1 1 89 89 THR HA H 89 4.691 4.691 5.137 -0.446 19553 4110 1 12 . 1 1 89 89 THR C C 89 180.192 180.192 174.175 6.017 19553 4111 1 12 . 1 1 89 89 THR CA C 89 61.646 61.646 61.123 0.523 19553 4112 1 12 . 1 1 89 89 THR CB C 89 70.339 70.339 69.188 1.151 19553 4113 1 12 . 1 1 89 89 THR H H 89 8.230 8.230 8.186 0.044 19553 4114 1 12 . 1 1 90 90 TYR N N 90 123.521 123.521 124.858 -1.337 19553 4115 1 12 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.812 -0.133 19553 4116 1 12 . 1 1 90 90 TYR C C 90 179.282 179.282 174.941 4.341 19553 4117 1 12 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.767 -0.360 19553 4118 1 12 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.520 -1.548 19553 4119 1 12 . 1 1 90 90 TYR H H 90 8.927 8.927 8.991 -0.064 19553 4120 1 12 . 1 1 91 91 HIS N N 91 120.999 120.999 121.883 -0.884 19553 4121 1 12 . 1 1 91 91 HIS HA H 91 5.086 5.086 4.965 0.121 19553 4122 1 12 . 1 1 91 91 HIS C C 91 178.719 178.719 174.891 3.828 19553 4123 1 12 . 1 1 91 91 HIS CA C 91 54.983 54.983 56.074 -1.091 19553 4124 1 12 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.357 -1.865 19553 4125 1 12 . 1 1 91 91 HIS H H 91 8.987 8.987 8.738 0.249 19553 4126 1 12 . 1 1 92 92 VAL N N 92 120.849 120.849 124.027 -3.178 19553 4127 1 12 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.213 0.187 19553 4128 1 12 . 1 1 92 92 VAL C C 92 180.110 180.110 174.054 6.056 19553 4129 1 12 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.550 -1.390 19553 4130 1 12 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.492 1.051 19553 4131 1 12 . 1 1 92 92 VAL H H 92 8.677 8.677 9.002 -0.325 19553 4132 1 12 . 1 1 93 93 VAL N N 93 121.626 121.626 126.343 -4.717 19553 4133 1 12 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.569 -0.388 19553 4134 1 12 . 1 1 93 93 VAL C C 93 178.555 178.555 175.297 3.258 19553 4135 1 12 . 1 1 93 93 VAL CA C 93 60.547 60.547 59.845 0.702 19553 4136 1 12 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.027 0.248 19553 4137 1 12 . 1 1 93 93 VAL H H 93 7.997 7.997 8.263 -0.266 19553 4138 1 12 . 1 1 94 94 CYS N N 94 123.035 123.035 125.919 -2.884 19553 4139 1 12 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.390 0.003 19553 4140 1 12 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.143 -4.652 19553 4141 1 12 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.093 15.399 19553 4142 1 12 . 1 1 94 94 CYS H H 94 7.890 7.890 8.519 -0.629 19553 4143 1 12 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.406 0.027 19553 4144 1 12 . 1 1 95 95 HIS C C 95 179.991 179.991 174.878 5.113 19553 4145 1 12 . 1 1 95 95 HIS CA C 95 55.411 55.411 57.297 -1.886 19553 4146 1 12 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.363 0.912 19553 4147 1 12 . 1 1 96 96 GLU N N 96 117.019 117.019 117.479 -0.460 19553 4148 1 12 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.718 0.123 19553 4149 1 12 . 1 1 96 96 GLU C C 96 178.360 178.360 174.901 3.459 19553 4150 1 12 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.124 -0.684 19553 4151 1 12 . 1 1 96 96 GLU CB C 96 32.505 32.505 31.574 0.931 19553 4152 1 12 . 1 1 96 96 GLU H H 96 7.623 7.623 7.743 -0.120 19553 4153 1 12 . 1 1 97 97 GLU N N 97 121.779 121.779 120.309 1.470 19553 4154 1 12 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.536 -0.093 19553 4155 1 12 . 1 1 97 97 GLU C C 97 176.658 176.658 176.715 -0.057 19553 4156 1 12 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.754 1.178 19553 4157 1 12 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.353 0.298 19553 4158 1 12 . 1 1 97 97 GLU H H 97 9.280 9.280 8.763 0.517 19553 4159 1 12 . 1 1 98 98 GLY N N 98 109.900 109.900 111.303 -1.403 19553 4160 1 12 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.489 -0.213 19553 4161 1 12 . 1 1 98 98 GLY H H 98 8.745 8.745 8.712 0.033 19553 4162 1 12 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.627 0.042 19553 4163 1 12 . 1 1 99 99 PRO C C 99 176.795 176.795 176.048 0.747 19553 4164 1 12 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.156 0.415 19553 4165 1 12 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.820 0.867 19553 4166 1 12 . 1 1 100 100 ILE N N 100 118.686 118.686 118.331 0.355 19553 4167 1 12 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.087 -0.180 19553 4168 1 12 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.431 1.775 19553 4169 1 12 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.214 0.890 19553 4170 1 12 . 1 1 100 100 ILE H H 100 9.748 9.748 8.906 0.842 19553 4171 1 12 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.628 -0.497 19553 4172 1 12 . 1 1 101 101 PRO C C 101 177.525 177.525 176.360 1.165 19553 4173 1 12 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.896 0.187 19553 4174 1 12 . 1 1 101 101 PRO CB C 101 31.670 31.670 33.154 -1.484 19553 4175 1 12 . 1 1 102 102 HIS N N 102 123.222 123.222 119.385 3.837 19553 4176 1 12 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.742 -0.154 19553 4177 1 12 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.283 -1.720 19553 4178 1 12 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.066 -0.196 19553 4179 1 12 . 1 1 102 102 HIS H H 102 8.717 8.717 8.652 0.065 19553 4180 1 12 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.246 0.035 19553 4181 1 12 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.632 -1.157 19553 4182 1 12 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.679 0.307 19553 4183 1 12 . 1 1 104 104 GLY N N 104 106.530 106.530 104.409 2.121 19553 4184 1 12 . 1 1 104 104 GLY C C 104 180.058 180.058 173.756 6.302 19553 4185 1 12 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.177 0.534 19553 4186 1 12 . 1 1 104 104 GLY H H 104 9.682 9.682 7.930 1.752 19553 4187 1 12 . 1 1 105 105 ASN N N 105 118.099 118.099 118.767 -0.668 19553 4188 1 12 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.837 -0.161 19553 4189 1 12 . 1 1 105 105 ASN C C 105 178.082 178.082 175.189 2.893 19553 4190 1 12 . 1 1 105 105 ASN CA C 105 53.234 53.234 52.707 0.527 19553 4191 1 12 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.004 0.169 19553 4192 1 12 . 1 1 105 105 ASN H H 105 6.870 6.870 7.697 -0.827 19553 4193 1 12 . 1 1 106 106 VAL N N 106 123.752 123.752 122.139 1.613 19553 4194 1 12 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.864 0.715 19553 4195 1 12 . 1 1 106 106 VAL C C 106 178.463 178.463 176.194 2.269 19553 4196 1 12 . 1 1 106 106 VAL CA C 106 63.313 63.313 65.275 -1.962 19553 4197 1 12 . 1 1 106 106 VAL CB C 106 31.612 31.612 30.841 0.771 19553 4198 1 12 . 1 1 106 106 VAL H H 106 8.774 8.774 8.700 0.074 19553 4199 1 12 . 1 1 107 107 HIS N N 107 116.712 116.712 119.774 -3.062 19553 4200 1 12 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.660 -0.070 19553 4201 1 12 . 1 1 107 107 HIS C C 107 180.421 180.421 174.551 5.870 19553 4202 1 12 . 1 1 107 107 HIS CA C 107 56.649 56.649 56.794 -0.145 19553 4203 1 12 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.645 -1.891 19553 4204 1 12 . 1 1 107 107 HIS H H 107 9.171 9.171 7.808 1.363 19553 4205 1 12 . 1 1 108 108 LYS N N 108 119.379 119.379 117.843 1.536 19553 4206 1 12 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.836 0.282 19553 4207 1 12 . 1 1 108 108 LYS C C 108 181.487 181.487 174.500 6.987 19553 4208 1 12 . 1 1 108 108 LYS CA C 108 54.558 54.558 54.956 -0.398 19553 4209 1 12 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.894 2.455 19553 4210 1 12 . 1 1 108 108 LYS H H 108 7.627 7.627 7.789 -0.162 19553 4211 1 12 . 1 1 109 109 TYR N N 109 114.203 114.203 117.738 -3.535 19553 4212 1 12 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.905 -0.328 19553 4213 1 12 . 1 1 109 109 TYR C C 109 181.588 181.588 172.647 8.941 19553 4214 1 12 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.775 0.592 19553 4215 1 12 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.057 -3.263 19553 4216 1 12 . 1 1 109 109 TYR H H 109 9.006 9.006 9.119 -0.113 19553 4217 1 12 . 1 1 110 110 ILE N N 110 119.840 119.840 118.678 1.162 19553 4218 1 12 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.674 0.011 19553 4219 1 12 . 1 1 110 110 ILE C C 110 178.917 178.917 174.919 3.998 19553 4220 1 12 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.170 0.070 19553 4221 1 12 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.440 -0.210 19553 4222 1 12 . 1 1 110 110 ILE H H 110 8.764 8.764 9.053 -0.289 19553 4223 1 12 . 1 1 111 111 ILE N N 111 124.346 124.346 126.249 -1.903 19553 4224 1 12 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.335 -0.003 19553 4225 1 12 . 1 1 111 111 ILE C C 111 175.896 175.896 174.958 0.938 19553 4226 1 12 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.272 0.429 19553 4227 1 12 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.225 1.288 19553 4228 1 12 . 1 1 111 111 ILE H H 111 9.032 9.032 8.549 0.483 19553 4229 1 12 . 1 1 112 112 CYS N N 112 128.772 128.772 128.436 0.336 19553 4230 1 12 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.847 0.234 19553 4231 1 12 . 1 1 112 112 CYS C C 112 178.268 178.268 174.054 4.214 19553 4232 1 12 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.363 -1.121 19553 4233 1 12 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.400 16.555 19553 4234 1 12 . 1 1 112 112 CYS H H 112 8.517 8.517 8.853 -0.336 19553 4235 1 12 . 1 1 113 113 SER N N 113 120.988 120.988 119.679 1.309 19553 4236 1 12 . 1 1 113 113 SER HA H 113 4.996 4.996 4.975 0.021 19553 4237 1 12 . 1 1 113 113 SER C C 113 182.750 182.750 172.476 10.274 19553 4238 1 12 . 1 1 113 113 SER CA C 113 57.517 57.517 57.194 0.322 19553 4239 1 12 . 1 1 113 113 SER CB C 113 65.528 65.528 65.504 0.024 19553 4240 1 12 . 1 1 113 113 SER H H 113 9.361 9.361 8.898 0.463 19553 4241 1 12 . 1 1 114 114 LYS N N 114 123.657 123.657 127.916 -4.259 19553 4242 1 12 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.208 0.396 19553 4243 1 12 . 1 1 114 114 LYS C C 114 176.524 176.524 176.018 0.506 19553 4244 1 12 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.828 0.034 19553 4245 1 12 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.423 0.960 19553 4246 1 12 . 1 1 114 114 LYS H H 114 8.899 8.899 9.181 -0.282 19553 4247 1 12 . 1 1 115 115 SER N N 115 119.515 119.515 124.420 -4.905 19553 4248 1 12 . 1 1 115 115 SER HA H 115 4.589 4.589 4.707 -0.118 19553 4249 1 12 . 1 1 115 115 SER C C 115 178.064 178.064 174.747 3.317 19553 4250 1 12 . 1 1 115 115 SER CA C 115 56.468 56.468 57.730 -1.262 19553 4251 1 12 . 1 1 115 115 SER CB C 115 63.236 63.236 62.126 1.110 19553 4252 1 12 . 1 1 115 115 SER H H 115 8.560 8.560 8.982 -0.422 19553 4253 1 12 . 1 1 116 116 GLY N N 116 118.606 118.606 116.424 2.182 19553 4254 1 12 . 1 1 116 116 GLY C C 116 178.577 178.577 174.772 3.805 19553 4255 1 12 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.559 0.389 19553 4256 1 12 . 1 1 116 116 GLY H H 116 9.067 9.067 8.057 1.010 19553 4257 1 12 . 1 1 117 117 SER N N 117 121.443 121.443 119.111 2.332 19553 4258 1 12 . 1 1 117 117 SER HA H 117 4.310 4.310 4.661 -0.351 19553 4259 1 12 . 1 1 117 117 SER C C 117 180.107 180.107 173.440 6.667 19553 4260 1 12 . 1 1 117 117 SER CA C 117 58.416 58.416 58.269 0.147 19553 4261 1 12 . 1 1 117 117 SER CB C 117 63.758 63.758 64.511 -0.753 19553 4262 1 12 . 1 1 117 117 SER H H 117 8.908 8.908 8.317 0.591 19553 4263 1 12 . 1 1 118 118 LEU N N 118 123.028 123.028 124.122 -1.094 19553 4264 1 12 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.559 0.027 19553 4265 1 12 . 1 1 118 118 LEU C C 118 177.894 177.894 174.244 3.650 19553 4266 1 12 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.333 -0.216 19553 4267 1 12 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.763 -0.533 19553 4268 1 12 . 1 1 118 118 LEU H H 118 7.763 7.763 7.423 0.340 19553 4269 1 12 . 1 1 119 119 TRP N N 119 120.523 120.523 122.995 -2.472 19553 4270 1 12 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.122 0.096 19553 4271 1 12 . 1 1 119 119 TRP C C 119 177.735 177.735 175.995 1.740 19553 4272 1 12 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.159 0.282 19553 4273 1 12 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.733 1.448 19553 4274 1 12 . 1 1 119 119 TRP H H 119 8.102 8.102 8.603 -0.501 19553 4275 1 12 . 1 1 120 120 TYR N N 120 119.365 119.365 124.398 -5.033 19553 4276 1 12 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.833 0.022 19553 4277 1 12 . 1 1 120 120 TYR C C 120 179.683 179.683 174.640 5.043 19553 4278 1 12 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.553 -1.126 19553 4279 1 12 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.129 0.659 19553 4280 1 12 . 1 1 120 120 TYR H H 120 9.495 9.495 9.429 0.066 19553 4281 1 12 . 1 1 121 121 ILE N N 121 111.471 111.471 119.694 -8.223 19553 4282 1 12 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.517 0.178 19553 4283 1 12 . 1 1 121 121 ILE C C 121 177.137 177.137 175.208 1.929 19553 4284 1 12 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.798 -0.532 19553 4285 1 12 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.590 1.601 19553 4286 1 12 . 1 1 121 121 ILE H H 121 8.338 8.338 8.436 -0.098 19553 4287 1 12 . 1 1 122 122 THR N N 122 116.120 116.120 119.620 -3.500 19553 4288 1 12 . 1 1 122 122 THR HA H 122 4.493 4.493 4.635 -0.142 19553 4289 1 12 . 1 1 122 122 THR C C 122 180.251 180.251 172.698 7.553 19553 4290 1 12 . 1 1 122 122 THR CA C 122 61.437 61.437 61.790 -0.353 19553 4291 1 12 . 1 1 122 122 THR CB C 122 71.892 71.892 71.625 0.267 19553 4292 1 12 . 1 1 122 122 THR H H 122 7.796 7.796 8.228 -0.432 19553 4293 1 12 . 1 1 123 123 VAL N N 123 128.072 128.072 127.409 0.663 19553 4294 1 12 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.490 -0.218 19553 4295 1 12 . 1 1 123 123 VAL C C 123 178.576 178.576 174.771 3.805 19553 4296 1 12 . 1 1 123 123 VAL CA C 123 62.958 62.958 60.638 2.320 19553 4297 1 12 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.450 -0.418 19553 4298 1 12 . 1 1 123 123 VAL H H 123 9.009 9.009 8.607 0.402 19553 4299 1 12 . 1 1 124 124 MET N N 124 127.234 127.234 128.669 -1.435 19553 4300 1 12 . 1 1 124 124 MET HA H 124 5.053 5.053 4.882 0.171 19553 4301 1 12 . 1 1 124 124 MET CA C 124 50.145 50.145 51.281 -1.136 19553 4302 1 12 . 1 1 124 124 MET CB C 124 33.625 33.625 34.158 -0.533 19553 4303 1 12 . 1 1 124 124 MET H H 124 8.799 8.799 8.543 0.256 19553 4304 1 12 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.657 0.234 19553 4305 1 12 . 1 1 125 125 PRO C C 125 174.594 174.594 176.132 -1.538 19553 4306 1 12 . 1 1 125 125 PRO CA C 125 61.564 61.564 61.977 -0.414 19553 4307 1 12 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.222 -0.912 19553 4308 1 12 . 1 1 126 126 CYS N N 126 119.444 119.444 122.380 -2.936 19553 4309 1 12 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.550 0.581 19553 4310 1 12 . 1 1 126 126 CYS C C 126 177.425 177.425 175.769 1.656 19553 4311 1 12 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.891 -5.335 19553 4312 1 12 . 1 1 126 126 CYS CB C 126 38.277 38.277 27.910 10.367 19553 4313 1 12 . 1 1 126 126 CYS H H 126 8.355 8.355 8.520 -0.165 19553 4314 1 12 . 1 1 127 127 SER N N 127 117.888 117.888 115.206 2.682 19553 4315 1 12 . 1 1 127 127 SER HA H 127 4.382 4.382 4.370 0.012 19553 4316 1 12 . 1 1 127 127 SER C C 127 178.499 178.499 175.009 3.490 19553 4317 1 12 . 1 1 127 127 SER CA C 127 59.179 59.179 58.561 0.618 19553 4318 1 12 . 1 1 127 127 SER CB C 127 63.503 63.503 63.867 -0.364 19553 4319 1 12 . 1 1 127 127 SER H H 127 8.255 8.255 8.556 -0.301 19553 4320 1 12 . 1 1 128 128 ILE N N 128 125.176 125.176 125.121 0.055 19553 4321 1 12 . 1 1 128 128 ILE HA H 128 3.988 3.988 4.014 -0.026 19553 4322 1 12 . 1 1 128 128 ILE C C 128 176.825 176.825 177.794 -0.969 19553 4323 1 12 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.030 0.277 19553 4324 1 12 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.329 0.296 19553 4325 1 12 . 1 1 128 128 ILE H H 128 8.727 8.727 8.644 0.083 19553 4326 1 12 . 1 1 129 129 GLY N N 129 114.581 114.581 115.945 -1.364 19553 4327 1 12 . 1 1 129 129 GLY C C 129 178.928 178.928 174.156 4.772 19553 4328 1 12 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.212 -0.328 19553 4329 1 12 . 1 1 129 129 GLY H H 129 8.888 8.888 8.934 -0.046 19553 4330 1 12 . 1 1 130 130 THR N N 130 110.279 110.279 113.164 -2.885 19553 4331 1 12 . 1 1 130 130 THR HA H 130 5.294 5.294 5.439 -0.145 19553 4332 1 12 . 1 1 130 130 THR C C 130 180.377 180.377 173.220 7.157 19553 4333 1 12 . 1 1 130 130 THR CA C 130 60.262 60.262 60.212 0.050 19553 4334 1 12 . 1 1 130 130 THR CB C 130 72.701 72.701 72.090 0.611 19553 4335 1 12 . 1 1 130 130 THR H H 130 8.132 8.132 8.005 0.127 19553 4336 1 12 . 1 1 131 131 LYS N N 131 117.394 117.394 119.264 -1.870 19553 4337 1 12 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.151 -0.322 19553 4338 1 12 . 1 1 131 131 LYS C C 131 179.939 179.939 174.526 5.413 19553 4339 1 12 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.342 -0.289 19553 4340 1 12 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.169 -0.223 19553 4341 1 12 . 1 1 131 131 LYS H H 131 9.579 9.579 9.077 0.502 19553 4342 1 12 . 1 1 132 132 PHE N N 132 123.518 123.518 123.654 -0.136 19553 4343 1 12 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.850 -0.457 19553 4344 1 12 . 1 1 132 132 PHE C C 132 178.908 178.908 174.804 4.104 19553 4345 1 12 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.511 1.415 19553 4346 1 12 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.953 -1.658 19553 4347 1 12 . 1 1 132 132 PHE H H 132 9.347 9.347 9.085 0.262 19553 4348 1 12 . 1 1 133 133 ASP N N 133 130.494 130.494 126.802 3.692 19553 4349 1 12 . 1 1 133 133 ASP HA H 133 4.976 4.976 5.033 -0.057 19553 4350 1 12 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.279 -0.428 19553 4351 1 12 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.379 0.037 19553 4352 1 12 . 1 1 133 133 ASP H H 133 8.091 8.091 8.221 -0.130 19553 4353 1 12 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.583 -0.506 19553 4354 1 12 . 1 1 134 134 PRO C C 134 176.646 176.646 176.742 -0.096 19553 4355 1 12 . 1 1 134 134 PRO CA C 134 63.636 63.636 65.153 -1.517 19553 4356 1 12 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.029 0.770 19553 4357 1 12 . 1 1 135 135 ILE N N 135 118.026 118.026 118.034 -0.008 19553 4358 1 12 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.090 -0.190 19553 4359 1 12 . 1 1 135 135 ILE C C 135 175.842 175.842 178.281 -2.439 19553 4360 1 12 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.644 0.746 19553 4361 1 12 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.283 -1.367 19553 4362 1 12 . 1 1 135 135 ILE H H 135 7.844 7.844 7.457 0.387 19553 4363 1 12 . 1 1 136 136 SER N N 136 113.845 113.845 115.319 -1.474 19553 4364 1 12 . 1 1 136 136 SER HA H 136 4.144 4.144 4.251 -0.107 19553 4365 1 12 . 1 1 136 136 SER C C 136 178.752 178.752 174.549 4.203 19553 4366 1 12 . 1 1 136 136 SER CA C 136 59.461 59.461 60.232 -0.771 19553 4367 1 12 . 1 1 136 136 SER CB C 136 63.840 63.840 63.604 0.236 19553 4368 1 12 . 1 1 136 136 SER H H 136 7.779 7.779 8.855 -1.076 19553 4369 1 12 . 1 1 137 137 ARG N N 137 116.720 116.720 116.184 0.536 19553 4370 1 12 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.753 -0.522 19553 4371 1 12 . 1 1 137 137 ARG C C 137 180.002 180.002 173.917 6.085 19553 4372 1 12 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.612 0.498 19553 4373 1 12 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.180 -0.978 19553 4374 1 12 . 1 1 137 137 ARG H H 137 7.935 7.935 7.837 0.098 19553 4375 1 12 . 1 1 138 138 ASN N N 138 113.845 113.845 112.628 1.217 19553 4376 1 12 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.580 0.121 19553 4377 1 12 . 1 1 138 138 ASN C C 138 179.580 179.580 172.310 7.270 19553 4378 1 12 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.725 -0.913 19553 4379 1 12 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.875 0.870 19553 4380 1 12 . 1 1 138 138 ASN H H 138 6.857 6.857 6.939 -0.082 19553 4381 1 12 . 1 1 139 139 CYS N N 139 120.168 120.168 118.388 1.780 19553 4382 1 12 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.209 0.011 19553 4383 1 12 . 1 1 139 139 CYS C C 139 178.616 178.616 174.878 3.738 19553 4384 1 12 . 1 1 139 139 CYS CA C 139 56.188 56.188 57.803 -1.615 19553 4385 1 12 . 1 1 139 139 CYS CB C 139 40.808 40.808 26.911 13.897 19553 4386 1 12 . 1 1 139 139 CYS H H 139 8.519 8.519 8.480 0.039 19553 4387 1 12 . 1 1 140 140 VAL N N 140 119.928 119.928 120.787 -0.859 19553 4388 1 12 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.511 0.156 19553 4389 1 12 . 1 1 140 140 VAL C C 140 178.299 178.299 174.527 3.772 19553 4390 1 12 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.791 -0.652 19553 4391 1 12 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.246 1.156 19553 4392 1 12 . 1 1 140 140 VAL H H 140 9.531 9.531 9.292 0.239 19553 4393 1 12 . 1 1 141 141 LEU N N 141 121.749 121.749 123.625 -1.876 19553 4394 1 12 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.426 -0.417 19553 4395 1 12 . 1 1 141 141 LEU C C 141 176.847 176.847 176.042 0.805 19553 4396 1 12 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.251 1.591 19553 4397 1 12 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.927 0.275 19553 4398 1 12 . 1 1 141 141 LEU H H 141 8.363 8.363 8.550 -0.187 19553 4399 1 12 . 1 1 142 142 ASP N N 142 123.416 123.416 128.513 -5.097 19553 4400 1 12 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.596 0.031 19553 4401 1 12 . 1 1 142 142 ASP C C 142 179.175 179.175 174.847 4.328 19553 4402 1 12 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.201 -1.157 19553 4403 1 12 . 1 1 142 142 ASP CB C 142 40.741 40.741 40.645 0.097 19553 4404 1 12 . 1 1 142 142 ASP H H 142 8.271 8.271 8.559 -0.288 19553 4405 1 13 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.706 -0.185 19553 4406 1 13 . 1 1 76 76 PRO C C 76 176.427 176.427 175.729 0.698 19553 4407 1 13 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.612 0.445 19553 4408 1 13 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.489 -0.128 19553 4409 1 13 . 1 1 77 77 LEU N N 77 122.647 122.647 120.912 1.735 19553 4410 1 13 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.582 -0.153 19553 4411 1 13 . 1 1 77 77 LEU C C 77 175.532 175.532 176.660 -1.128 19553 4412 1 13 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.293 1.357 19553 4413 1 13 . 1 1 77 77 LEU CB C 77 42.341 42.341 44.216 -1.875 19553 4414 1 13 . 1 1 77 77 LEU H H 77 8.571 8.571 8.020 0.551 19553 4415 1 13 . 1 1 78 78 GLY N N 78 110.072 110.072 107.989 2.083 19553 4416 1 13 . 1 1 78 78 GLY C C 78 179.395 179.395 175.890 3.505 19553 4417 1 13 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.577 -0.307 19553 4418 1 13 . 1 1 78 78 GLY H H 78 8.483 8.483 8.439 0.044 19553 4419 1 13 . 1 1 79 79 SER N N 79 115.122 115.122 116.809 -1.687 19553 4420 1 13 . 1 1 79 79 SER HA H 79 4.549 4.549 4.128 0.421 19553 4421 1 13 . 1 1 79 79 SER C C 79 179.859 179.859 173.360 6.499 19553 4422 1 13 . 1 1 79 79 SER CA C 79 58.151 58.151 60.263 -2.112 19553 4423 1 13 . 1 1 79 79 SER CB C 79 64.330 64.330 63.163 1.167 19553 4424 1 13 . 1 1 79 79 SER H H 79 8.151 8.151 8.167 -0.016 19553 4425 1 13 . 1 1 80 80 ASP N N 80 122.779 122.779 115.877 6.902 19553 4426 1 13 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.436 -0.683 19553 4427 1 13 . 1 1 80 80 ASP C C 80 178.137 178.137 174.900 3.237 19553 4428 1 13 . 1 1 80 80 ASP CA C 80 54.028 54.028 52.632 1.396 19553 4429 1 13 . 1 1 80 80 ASP CB C 80 41.202 41.202 42.766 -1.563 19553 4430 1 13 . 1 1 80 80 ASP H H 80 8.294 8.294 7.693 0.601 19553 4431 1 13 . 1 1 81 81 LEU N N 81 125.106 125.106 124.065 1.041 19553 4432 1 13 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.691 -0.208 19553 4433 1 13 . 1 1 81 81 LEU C C 81 178.326 178.326 175.137 3.189 19553 4434 1 13 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.667 0.443 19553 4435 1 13 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.104 -3.014 19553 4436 1 13 . 1 1 81 81 LEU H H 81 8.532 8.532 8.004 0.528 19553 4437 1 13 . 1 1 82 82 ILE N N 82 120.036 120.036 124.023 -3.987 19553 4438 1 13 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.932 -0.112 19553 4439 1 13 . 1 1 82 82 ILE C C 82 177.782 177.782 175.888 1.894 19553 4440 1 13 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.295 -1.121 19553 4441 1 13 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.105 1.814 19553 4442 1 13 . 1 1 82 82 ILE H H 82 7.848 7.848 8.159 -0.311 19553 4443 1 13 . 1 1 83 83 VAL N N 83 119.733 119.733 120.562 -0.829 19553 4444 1 13 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.691 -0.261 19553 4445 1 13 . 1 1 83 83 VAL C C 83 179.809 179.809 173.842 5.967 19553 4446 1 13 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.328 0.125 19553 4447 1 13 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.430 -0.277 19553 4448 1 13 . 1 1 83 83 VAL H H 83 8.511 8.511 8.630 -0.119 19553 4449 1 13 . 1 1 84 84 HIS N N 84 122.907 122.907 119.490 3.417 19553 4450 1 13 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.635 -0.075 19553 4451 1 13 . 1 1 84 84 HIS C C 84 178.593 178.593 174.951 3.642 19553 4452 1 13 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.306 -0.729 19553 4453 1 13 . 1 1 84 84 HIS CB C 84 30.967 30.967 31.420 -0.453 19553 4454 1 13 . 1 1 84 84 HIS H H 84 8.908 8.908 8.512 0.396 19553 4455 1 13 . 1 1 85 85 GLU N N 85 124.766 124.766 124.590 0.176 19553 4456 1 13 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.677 0.089 19553 4457 1 13 . 1 1 85 85 GLU C C 85 176.641 176.641 176.818 -0.177 19553 4458 1 13 . 1 1 85 85 GLU CA C 85 56.372 56.372 55.692 0.680 19553 4459 1 13 . 1 1 85 85 GLU CB C 85 32.921 32.921 31.929 0.992 19553 4460 1 13 . 1 1 85 85 GLU H H 85 8.979 8.979 9.215 -0.236 19553 4461 1 13 . 1 1 86 86 GLY N N 86 119.987 119.987 113.930 6.057 19553 4462 1 13 . 1 1 86 86 GLY C C 86 178.249 178.249 174.913 3.336 19553 4463 1 13 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.719 1.557 19553 4464 1 13 . 1 1 86 86 GLY H H 86 9.540 9.540 9.269 0.271 19553 4465 1 13 . 1 1 87 87 GLY N N 87 108.242 108.242 105.847 2.395 19553 4466 1 13 . 1 1 87 87 GLY C C 87 179.578 179.578 175.169 4.409 19553 4467 1 13 . 1 1 87 87 GLY CA C 87 44.941 44.941 44.958 -0.017 19553 4468 1 13 . 1 1 87 87 GLY H H 87 8.920 8.920 8.647 0.273 19553 4469 1 13 . 1 1 88 88 LYS N N 88 121.010 121.010 123.445 -2.435 19553 4470 1 13 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.578 0.040 19553 4471 1 13 . 1 1 88 88 LYS C C 88 178.241 178.241 175.400 2.841 19553 4472 1 13 . 1 1 88 88 LYS CA C 88 54.917 54.917 55.235 -0.318 19553 4473 1 13 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.568 1.584 19553 4474 1 13 . 1 1 88 88 LYS H H 88 7.858 7.858 7.836 0.022 19553 4475 1 13 . 1 1 89 89 THR N N 89 117.172 117.172 114.208 2.964 19553 4476 1 13 . 1 1 89 89 THR HA H 89 4.691 4.691 5.143 -0.452 19553 4477 1 13 . 1 1 89 89 THR C C 89 180.192 180.192 174.182 6.010 19553 4478 1 13 . 1 1 89 89 THR CA C 89 61.646 61.646 61.299 0.347 19553 4479 1 13 . 1 1 89 89 THR CB C 89 70.339 70.339 69.440 0.899 19553 4480 1 13 . 1 1 89 89 THR H H 89 8.230 8.230 8.094 0.136 19553 4481 1 13 . 1 1 90 90 TYR N N 90 123.521 123.521 123.430 0.091 19553 4482 1 13 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.821 -0.142 19553 4483 1 13 . 1 1 90 90 TYR C C 90 179.282 179.282 174.876 4.406 19553 4484 1 13 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.762 -0.355 19553 4485 1 13 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.965 -1.993 19553 4486 1 13 . 1 1 90 90 TYR H H 90 8.927 8.927 8.914 0.013 19553 4487 1 13 . 1 1 91 91 HIS N N 91 120.999 120.999 120.787 0.212 19553 4488 1 13 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.141 -0.055 19553 4489 1 13 . 1 1 91 91 HIS C C 91 178.719 178.719 174.874 3.845 19553 4490 1 13 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.314 -0.331 19553 4491 1 13 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.960 -2.468 19553 4492 1 13 . 1 1 91 91 HIS H H 91 8.987 8.987 8.687 0.300 19553 4493 1 13 . 1 1 92 92 VAL N N 92 120.849 120.849 123.994 -3.145 19553 4494 1 13 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.209 0.191 19553 4495 1 13 . 1 1 92 92 VAL C C 92 180.110 180.110 174.204 5.906 19553 4496 1 13 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.611 -1.451 19553 4497 1 13 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.180 1.363 19553 4498 1 13 . 1 1 92 92 VAL H H 92 8.677 8.677 8.881 -0.204 19553 4499 1 13 . 1 1 93 93 VAL N N 93 121.626 121.626 126.127 -4.501 19553 4500 1 13 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.732 -0.551 19553 4501 1 13 . 1 1 93 93 VAL C C 93 178.555 178.555 175.680 2.875 19553 4502 1 13 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.228 0.319 19553 4503 1 13 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.546 -0.271 19553 4504 1 13 . 1 1 93 93 VAL H H 93 7.997 7.997 8.243 -0.246 19553 4505 1 13 . 1 1 94 94 CYS N N 94 123.035 123.035 125.596 -2.561 19553 4506 1 13 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.546 -0.153 19553 4507 1 13 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.255 -4.764 19553 4508 1 13 . 1 1 94 94 CYS CB C 94 41.492 41.492 25.691 15.801 19553 4509 1 13 . 1 1 94 94 CYS H H 94 7.890 7.890 8.462 -0.572 19553 4510 1 13 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.413 0.020 19553 4511 1 13 . 1 1 95 95 HIS C C 95 179.991 179.991 174.429 5.562 19553 4512 1 13 . 1 1 95 95 HIS CA C 95 55.411 55.411 57.778 -2.367 19553 4513 1 13 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.520 0.755 19553 4514 1 13 . 1 1 96 96 GLU N N 96 117.019 117.019 116.780 0.239 19553 4515 1 13 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.713 0.128 19553 4516 1 13 . 1 1 96 96 GLU C C 96 178.360 178.360 175.210 3.150 19553 4517 1 13 . 1 1 96 96 GLU CA C 96 54.440 54.440 54.837 -0.398 19553 4518 1 13 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.025 0.480 19553 4519 1 13 . 1 1 96 96 GLU H H 96 7.623 7.623 7.794 -0.171 19553 4520 1 13 . 1 1 97 97 GLU N N 97 121.779 121.779 120.489 1.290 19553 4521 1 13 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.612 -0.169 19553 4522 1 13 . 1 1 97 97 GLU C C 97 176.658 176.658 176.594 0.064 19553 4523 1 13 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.648 1.284 19553 4524 1 13 . 1 1 97 97 GLU CB C 97 30.651 30.651 29.392 1.259 19553 4525 1 13 . 1 1 97 97 GLU H H 97 9.280 9.280 8.809 0.471 19553 4526 1 13 . 1 1 98 98 GLY N N 98 109.900 109.900 112.760 -2.860 19553 4527 1 13 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.680 -0.404 19553 4528 1 13 . 1 1 98 98 GLY H H 98 8.745 8.745 8.022 0.723 19553 4529 1 13 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.545 0.124 19553 4530 1 13 . 1 1 99 99 PRO C C 99 176.795 176.795 176.125 0.670 19553 4531 1 13 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.289 0.282 19553 4532 1 13 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.823 0.864 19553 4533 1 13 . 1 1 100 100 ILE N N 100 118.686 118.686 118.097 0.589 19553 4534 1 13 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.053 -0.146 19553 4535 1 13 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.563 1.643 19553 4536 1 13 . 1 1 100 100 ILE CB C 100 40.104 40.104 38.981 1.123 19553 4537 1 13 . 1 1 100 100 ILE H H 100 9.748 9.748 8.976 0.772 19553 4538 1 13 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.695 -0.564 19553 4539 1 13 . 1 1 101 101 PRO C C 101 177.525 177.525 176.464 1.061 19553 4540 1 13 . 1 1 101 101 PRO CA C 101 63.083 63.083 63.050 0.033 19553 4541 1 13 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.943 -1.273 19553 4542 1 13 . 1 1 102 102 HIS N N 102 123.222 123.222 119.330 3.892 19553 4543 1 13 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.745 -0.157 19553 4544 1 13 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.477 -1.913 19553 4545 1 13 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.598 -0.728 19553 4546 1 13 . 1 1 102 102 HIS H H 102 8.717 8.717 8.428 0.289 19553 4547 1 13 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.209 0.072 19553 4548 1 13 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.822 -1.347 19553 4549 1 13 . 1 1 103 103 PRO CB C 103 31.986 31.986 32.193 -0.207 19553 4550 1 13 . 1 1 104 104 GLY N N 104 106.530 106.530 106.884 -0.354 19553 4551 1 13 . 1 1 104 104 GLY C C 104 180.058 180.058 174.228 5.830 19553 4552 1 13 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.921 -0.210 19553 4553 1 13 . 1 1 104 104 GLY H H 104 9.682 9.682 7.946 1.736 19553 4554 1 13 . 1 1 105 105 ASN N N 105 118.099 118.099 121.401 -3.302 19553 4555 1 13 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.989 -0.313 19553 4556 1 13 . 1 1 105 105 ASN C C 105 178.082 178.082 175.763 2.319 19553 4557 1 13 . 1 1 105 105 ASN CA C 105 53.234 53.234 52.174 1.060 19553 4558 1 13 . 1 1 105 105 ASN CB C 105 39.173 39.173 40.231 -1.058 19553 4559 1 13 . 1 1 105 105 ASN H H 105 6.870 6.870 8.218 -1.348 19553 4560 1 13 . 1 1 106 106 VAL N N 106 123.752 123.752 120.395 3.357 19553 4561 1 13 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.842 0.737 19553 4562 1 13 . 1 1 106 106 VAL C C 106 178.463 178.463 176.789 1.674 19553 4563 1 13 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.900 -1.587 19553 4564 1 13 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.746 -0.134 19553 4565 1 13 . 1 1 106 106 VAL H H 106 8.774 8.774 8.618 0.156 19553 4566 1 13 . 1 1 107 107 HIS N N 107 116.712 116.712 118.921 -2.209 19553 4567 1 13 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.648 -0.058 19553 4568 1 13 . 1 1 107 107 HIS C C 107 180.421 180.421 174.689 5.732 19553 4569 1 13 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.198 -0.549 19553 4570 1 13 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.319 -1.565 19553 4571 1 13 . 1 1 107 107 HIS H H 107 9.171 9.171 8.521 0.650 19553 4572 1 13 . 1 1 108 108 LYS N N 108 119.379 119.379 116.865 2.514 19553 4573 1 13 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.764 0.354 19553 4574 1 13 . 1 1 108 108 LYS C C 108 181.487 181.487 174.631 6.856 19553 4575 1 13 . 1 1 108 108 LYS CA C 108 54.558 54.558 54.763 -0.205 19553 4576 1 13 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.573 2.776 19553 4577 1 13 . 1 1 108 108 LYS H H 108 7.627 7.627 7.720 -0.093 19553 4578 1 13 . 1 1 109 109 TYR N N 109 114.203 114.203 117.285 -3.082 19553 4579 1 13 . 1 1 109 109 TYR HA H 109 4.577 4.577 5.064 -0.487 19553 4580 1 13 . 1 1 109 109 TYR C C 109 181.588 181.588 172.794 8.794 19553 4581 1 13 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.865 0.502 19553 4582 1 13 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.241 -3.446 19553 4583 1 13 . 1 1 109 109 TYR H H 109 9.006 9.006 8.950 0.056 19553 4584 1 13 . 1 1 110 110 ILE N N 110 119.840 119.840 118.250 1.590 19553 4585 1 13 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.719 -0.034 19553 4586 1 13 . 1 1 110 110 ILE C C 110 178.917 178.917 174.947 3.970 19553 4587 1 13 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.323 -0.083 19553 4588 1 13 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.520 -0.290 19553 4589 1 13 . 1 1 110 110 ILE H H 110 8.764 8.764 9.106 -0.342 19553 4590 1 13 . 1 1 111 111 ILE N N 111 124.346 124.346 126.760 -2.414 19553 4591 1 13 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.445 -0.113 19553 4592 1 13 . 1 1 111 111 ILE C C 111 175.896 175.896 175.164 0.732 19553 4593 1 13 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.221 0.480 19553 4594 1 13 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.241 1.272 19553 4595 1 13 . 1 1 111 111 ILE H H 111 9.032 9.032 8.631 0.401 19553 4596 1 13 . 1 1 112 112 CYS N N 112 128.772 128.772 128.372 0.400 19553 4597 1 13 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.913 0.168 19553 4598 1 13 . 1 1 112 112 CYS C C 112 178.268 178.268 174.468 3.800 19553 4599 1 13 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.486 -1.244 19553 4600 1 13 . 1 1 112 112 CYS CB C 112 43.955 43.955 26.584 17.371 19553 4601 1 13 . 1 1 112 112 CYS H H 112 8.517 8.517 8.510 0.007 19553 4602 1 13 . 1 1 113 113 SER N N 113 120.988 120.988 118.591 2.397 19553 4603 1 13 . 1 1 113 113 SER HA H 113 4.996 4.996 4.900 0.096 19553 4604 1 13 . 1 1 113 113 SER C C 113 182.750 182.750 172.723 10.027 19553 4605 1 13 . 1 1 113 113 SER CA C 113 57.517 57.517 56.905 0.612 19553 4606 1 13 . 1 1 113 113 SER CB C 113 65.528 65.528 65.146 0.382 19553 4607 1 13 . 1 1 113 113 SER H H 113 9.361 9.361 9.285 0.076 19553 4608 1 13 . 1 1 114 114 LYS N N 114 123.657 123.657 125.180 -1.523 19553 4609 1 13 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.701 -0.097 19553 4610 1 13 . 1 1 114 114 LYS C C 114 176.524 176.524 176.247 0.277 19553 4611 1 13 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.961 -0.099 19553 4612 1 13 . 1 1 114 114 LYS CB C 114 34.383 34.383 34.082 0.301 19553 4613 1 13 . 1 1 114 114 LYS H H 114 8.899 8.899 8.586 0.313 19553 4614 1 13 . 1 1 115 115 SER N N 115 119.515 119.515 120.631 -1.116 19553 4615 1 13 . 1 1 115 115 SER HA H 115 4.589 4.589 4.704 -0.115 19553 4616 1 13 . 1 1 115 115 SER C C 115 178.064 178.064 174.598 3.466 19553 4617 1 13 . 1 1 115 115 SER CA C 115 56.468 56.468 57.258 -0.791 19553 4618 1 13 . 1 1 115 115 SER CB C 115 63.236 63.236 62.954 0.282 19553 4619 1 13 . 1 1 115 115 SER H H 115 8.560 8.560 8.877 -0.317 19553 4620 1 13 . 1 1 116 116 GLY N N 116 118.606 118.606 114.784 3.822 19553 4621 1 13 . 1 1 116 116 GLY C C 116 178.577 178.577 174.350 4.227 19553 4622 1 13 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.714 0.233 19553 4623 1 13 . 1 1 116 116 GLY H H 116 9.067 9.067 8.358 0.709 19553 4624 1 13 . 1 1 117 117 SER N N 117 121.443 121.443 118.909 2.534 19553 4625 1 13 . 1 1 117 117 SER HA H 117 4.310 4.310 4.533 -0.223 19553 4626 1 13 . 1 1 117 117 SER C C 117 180.107 180.107 173.530 6.577 19553 4627 1 13 . 1 1 117 117 SER CA C 117 58.416 58.416 57.540 0.876 19553 4628 1 13 . 1 1 117 117 SER CB C 117 63.758 63.758 63.880 -0.123 19553 4629 1 13 . 1 1 117 117 SER H H 117 8.908 8.908 8.296 0.612 19553 4630 1 13 . 1 1 118 118 LEU N N 118 123.028 123.028 123.180 -0.152 19553 4631 1 13 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.741 -0.155 19553 4632 1 13 . 1 1 118 118 LEU C C 118 177.894 177.894 174.344 3.550 19553 4633 1 13 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.375 -0.258 19553 4634 1 13 . 1 1 118 118 LEU CB C 118 44.230 44.230 45.604 -1.374 19553 4635 1 13 . 1 1 118 118 LEU H H 118 7.763 7.763 7.272 0.491 19553 4636 1 13 . 1 1 119 119 TRP N N 119 120.523 120.523 124.120 -3.597 19553 4637 1 13 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.093 0.125 19553 4638 1 13 . 1 1 119 119 TRP C C 119 177.735 177.735 175.728 2.007 19553 4639 1 13 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.791 -0.350 19553 4640 1 13 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.576 1.605 19553 4641 1 13 . 1 1 119 119 TRP H H 119 8.102 8.102 8.446 -0.344 19553 4642 1 13 . 1 1 120 120 TYR N N 120 119.365 119.365 122.433 -3.068 19553 4643 1 13 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.868 -0.013 19553 4644 1 13 . 1 1 120 120 TYR C C 120 179.683 179.683 174.870 4.813 19553 4645 1 13 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.563 -1.137 19553 4646 1 13 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.786 0.002 19553 4647 1 13 . 1 1 120 120 TYR H H 120 9.495 9.495 9.491 0.004 19553 4648 1 13 . 1 1 121 121 ILE N N 121 111.471 111.471 119.370 -7.899 19553 4649 1 13 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.616 0.079 19553 4650 1 13 . 1 1 121 121 ILE C C 121 177.137 177.137 175.257 1.880 19553 4651 1 13 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.569 -0.303 19553 4652 1 13 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.816 1.375 19553 4653 1 13 . 1 1 121 121 ILE H H 121 8.338 8.338 8.434 -0.096 19553 4654 1 13 . 1 1 122 122 THR N N 122 116.120 116.120 120.831 -4.711 19553 4655 1 13 . 1 1 122 122 THR HA H 122 4.493 4.493 4.579 -0.086 19553 4656 1 13 . 1 1 122 122 THR C C 122 180.251 180.251 172.739 7.512 19553 4657 1 13 . 1 1 122 122 THR CA C 122 61.437 61.437 61.736 -0.299 19553 4658 1 13 . 1 1 122 122 THR CB C 122 71.892 71.892 71.183 0.709 19553 4659 1 13 . 1 1 122 122 THR H H 122 7.796 7.796 8.234 -0.438 19553 4660 1 13 . 1 1 123 123 VAL N N 123 128.072 128.072 128.266 -0.194 19553 4661 1 13 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.474 -0.202 19553 4662 1 13 . 1 1 123 123 VAL C C 123 178.576 178.576 175.028 3.548 19553 4663 1 13 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.340 1.618 19553 4664 1 13 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.637 -0.605 19553 4665 1 13 . 1 1 123 123 VAL H H 123 9.009 9.009 8.565 0.444 19553 4666 1 13 . 1 1 124 124 MET N N 124 127.234 127.234 129.267 -2.033 19553 4667 1 13 . 1 1 124 124 MET HA H 124 5.053 5.053 4.807 0.246 19553 4668 1 13 . 1 1 124 124 MET CA C 124 50.145 50.145 51.075 -0.930 19553 4669 1 13 . 1 1 124 124 MET CB C 124 33.625 33.625 33.051 0.574 19553 4670 1 13 . 1 1 124 124 MET H H 124 8.799 8.799 8.440 0.359 19553 4671 1 13 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.319 0.572 19553 4672 1 13 . 1 1 125 125 PRO C C 125 174.594 174.594 175.423 -0.829 19553 4673 1 13 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.561 -0.997 19553 4674 1 13 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.044 -0.734 19553 4675 1 13 . 1 1 126 126 CYS N N 126 119.444 119.444 122.579 -3.135 19553 4676 1 13 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.716 0.415 19553 4677 1 13 . 1 1 126 126 CYS C C 126 177.425 177.425 175.203 2.222 19553 4678 1 13 . 1 1 126 126 CYS CA C 126 53.556 53.556 56.613 -3.057 19553 4679 1 13 . 1 1 126 126 CYS CB C 126 38.277 38.277 29.424 8.853 19553 4680 1 13 . 1 1 126 126 CYS H H 126 8.355 8.355 8.603 -0.248 19553 4681 1 13 . 1 1 127 127 SER N N 127 117.888 117.888 115.603 2.285 19553 4682 1 13 . 1 1 127 127 SER HA H 127 4.382 4.382 4.457 -0.075 19553 4683 1 13 . 1 1 127 127 SER C C 127 178.499 178.499 174.825 3.674 19553 4684 1 13 . 1 1 127 127 SER CA C 127 59.179 59.179 58.659 0.520 19553 4685 1 13 . 1 1 127 127 SER CB C 127 63.503 63.503 63.842 -0.339 19553 4686 1 13 . 1 1 127 127 SER H H 127 8.255 8.255 8.553 -0.298 19553 4687 1 13 . 1 1 128 128 ILE N N 128 125.176 125.176 125.091 0.085 19553 4688 1 13 . 1 1 128 128 ILE HA H 128 3.988 3.988 4.020 -0.032 19553 4689 1 13 . 1 1 128 128 ILE C C 128 176.825 176.825 177.507 -0.682 19553 4690 1 13 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.314 -0.007 19553 4691 1 13 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.737 -0.112 19553 4692 1 13 . 1 1 128 128 ILE H H 128 8.727 8.727 8.625 0.102 19553 4693 1 13 . 1 1 129 129 GLY N N 129 114.581 114.581 115.756 -1.175 19553 4694 1 13 . 1 1 129 129 GLY C C 129 178.928 178.928 174.320 4.608 19553 4695 1 13 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.162 -0.278 19553 4696 1 13 . 1 1 129 129 GLY H H 129 8.888 8.888 8.863 0.025 19553 4697 1 13 . 1 1 130 130 THR N N 130 110.279 110.279 113.262 -2.983 19553 4698 1 13 . 1 1 130 130 THR HA H 130 5.294 5.294 5.403 -0.109 19553 4699 1 13 . 1 1 130 130 THR C C 130 180.377 180.377 173.122 7.255 19553 4700 1 13 . 1 1 130 130 THR CA C 130 60.262 60.262 60.528 -0.266 19553 4701 1 13 . 1 1 130 130 THR CB C 130 72.701 72.701 72.222 0.479 19553 4702 1 13 . 1 1 130 130 THR H H 130 8.132 8.132 7.990 0.142 19553 4703 1 13 . 1 1 131 131 LYS N N 131 117.394 117.394 119.719 -2.325 19553 4704 1 13 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.024 -0.195 19553 4705 1 13 . 1 1 131 131 LYS C C 131 179.939 179.939 174.318 5.621 19553 4706 1 13 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.319 -0.266 19553 4707 1 13 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.162 -0.217 19553 4708 1 13 . 1 1 131 131 LYS H H 131 9.579 9.579 9.170 0.409 19553 4709 1 13 . 1 1 132 132 PHE N N 132 123.518 123.518 122.358 1.160 19553 4710 1 13 . 1 1 132 132 PHE HA H 132 4.393 4.393 5.018 -0.625 19553 4711 1 13 . 1 1 132 132 PHE C C 132 178.908 178.908 175.673 3.235 19553 4712 1 13 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.175 1.751 19553 4713 1 13 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.601 -1.306 19553 4714 1 13 . 1 1 132 132 PHE H H 132 9.347 9.347 8.639 0.708 19553 4715 1 13 . 1 1 133 133 ASP N N 133 130.494 130.494 128.123 2.371 19553 4716 1 13 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.941 0.035 19553 4717 1 13 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.922 -1.071 19553 4718 1 13 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.066 0.350 19553 4719 1 13 . 1 1 133 133 ASP H H 133 8.091 8.091 8.449 -0.358 19553 4720 1 13 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.443 -0.366 19553 4721 1 13 . 1 1 134 134 PRO C C 134 176.646 176.646 177.308 -0.662 19553 4722 1 13 . 1 1 134 134 PRO CA C 134 63.636 63.636 65.120 -1.484 19553 4723 1 13 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.117 0.683 19553 4724 1 13 . 1 1 135 135 ILE N N 135 118.026 118.026 117.171 0.855 19553 4725 1 13 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.055 -0.155 19553 4726 1 13 . 1 1 135 135 ILE C C 135 175.842 175.842 177.852 -2.010 19553 4727 1 13 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.070 1.320 19553 4728 1 13 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.744 -1.828 19553 4729 1 13 . 1 1 135 135 ILE H H 135 7.844 7.844 7.618 0.226 19553 4730 1 13 . 1 1 136 136 SER N N 136 113.845 113.845 115.300 -1.455 19553 4731 1 13 . 1 1 136 136 SER HA H 136 4.144 4.144 4.200 -0.056 19553 4732 1 13 . 1 1 136 136 SER C C 136 178.752 178.752 174.249 4.503 19553 4733 1 13 . 1 1 136 136 SER CA C 136 59.461 59.461 60.456 -0.995 19553 4734 1 13 . 1 1 136 136 SER CB C 136 63.840 63.840 63.556 0.284 19553 4735 1 13 . 1 1 136 136 SER H H 136 7.779 7.779 8.902 -1.123 19553 4736 1 13 . 1 1 137 137 ARG N N 137 116.720 116.720 116.596 0.124 19553 4737 1 13 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.471 -0.240 19553 4738 1 13 . 1 1 137 137 ARG C C 137 180.002 180.002 174.026 5.976 19553 4739 1 13 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.206 0.903 19553 4740 1 13 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.483 -1.280 19553 4741 1 13 . 1 1 137 137 ARG H H 137 7.935 7.935 7.693 0.242 19553 4742 1 13 . 1 1 138 138 ASN N N 138 113.845 113.845 113.716 0.129 19553 4743 1 13 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.640 0.061 19553 4744 1 13 . 1 1 138 138 ASN C C 138 179.580 179.580 172.583 6.997 19553 4745 1 13 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.825 -1.013 19553 4746 1 13 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.450 1.295 19553 4747 1 13 . 1 1 138 138 ASN H H 138 6.857 6.857 7.001 -0.144 19553 4748 1 13 . 1 1 139 139 CYS N N 139 120.168 120.168 118.491 1.677 19553 4749 1 13 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.571 -0.351 19553 4750 1 13 . 1 1 139 139 CYS C C 139 178.616 178.616 175.235 3.381 19553 4751 1 13 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.079 -1.891 19553 4752 1 13 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.684 13.124 19553 4753 1 13 . 1 1 139 139 CYS H H 139 8.519 8.519 8.479 0.040 19553 4754 1 13 . 1 1 140 140 VAL N N 140 119.928 119.928 120.063 -0.135 19553 4755 1 13 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.603 0.064 19553 4756 1 13 . 1 1 140 140 VAL C C 140 178.299 178.299 174.849 3.450 19553 4757 1 13 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.430 -0.292 19553 4758 1 13 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.525 0.877 19553 4759 1 13 . 1 1 140 140 VAL H H 140 9.531 9.531 9.311 0.220 19553 4760 1 13 . 1 1 141 141 LEU N N 141 121.749 121.749 122.990 -1.241 19553 4761 1 13 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.354 -0.345 19553 4762 1 13 . 1 1 141 141 LEU C C 141 176.847 176.847 176.532 0.315 19553 4763 1 13 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.795 1.047 19553 4764 1 13 . 1 1 141 141 LEU CB C 141 42.202 42.202 40.710 1.492 19553 4765 1 13 . 1 1 141 141 LEU H H 141 8.363 8.363 8.578 -0.215 19553 4766 1 13 . 1 1 142 142 ASP N N 142 123.416 123.416 128.128 -4.712 19553 4767 1 13 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.710 -0.083 19553 4768 1 13 . 1 1 142 142 ASP C C 142 179.175 179.175 174.625 4.550 19553 4769 1 13 . 1 1 142 142 ASP CA C 142 53.044 53.044 53.959 -0.915 19553 4770 1 13 . 1 1 142 142 ASP CB C 142 40.741 40.741 40.545 0.196 19553 4771 1 13 . 1 1 142 142 ASP H H 142 8.271 8.271 8.569 -0.298 19553 4772 1 14 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.458 0.063 19553 4773 1 14 . 1 1 76 76 PRO C C 76 176.427 176.427 176.697 -0.270 19553 4774 1 14 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.757 0.300 19553 4775 1 14 . 1 1 76 76 PRO CB C 76 32.361 32.361 31.788 0.573 19553 4776 1 14 . 1 1 77 77 LEU N N 77 122.647 122.647 124.953 -2.306 19553 4777 1 14 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.461 -0.032 19553 4778 1 14 . 1 1 77 77 LEU C C 77 175.532 175.532 177.407 -1.875 19553 4779 1 14 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.510 1.140 19553 4780 1 14 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.986 -0.645 19553 4781 1 14 . 1 1 77 77 LEU H H 77 8.571 8.571 8.111 0.460 19553 4782 1 14 . 1 1 78 78 GLY N N 78 110.072 110.072 106.917 3.155 19553 4783 1 14 . 1 1 78 78 GLY C C 78 179.395 179.395 175.052 4.343 19553 4784 1 14 . 1 1 78 78 GLY CA C 78 45.270 45.270 44.903 0.367 19553 4785 1 14 . 1 1 78 78 GLY H H 78 8.483 8.483 8.690 -0.207 19553 4786 1 14 . 1 1 79 79 SER N N 79 115.122 115.122 116.771 -1.649 19553 4787 1 14 . 1 1 79 79 SER HA H 79 4.549 4.549 4.335 0.214 19553 4788 1 14 . 1 1 79 79 SER C C 79 179.859 179.859 173.392 6.467 19553 4789 1 14 . 1 1 79 79 SER CA C 79 58.151 58.151 61.108 -2.957 19553 4790 1 14 . 1 1 79 79 SER CB C 79 64.330 64.330 64.164 0.166 19553 4791 1 14 . 1 1 79 79 SER H H 79 8.151 8.151 8.453 -0.302 19553 4792 1 14 . 1 1 80 80 ASP N N 80 122.779 122.779 120.313 2.466 19553 4793 1 14 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.022 -0.269 19553 4794 1 14 . 1 1 80 80 ASP C C 80 178.137 178.137 174.560 3.577 19553 4795 1 14 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.199 0.829 19553 4796 1 14 . 1 1 80 80 ASP CB C 80 41.202 41.202 41.663 -0.461 19553 4797 1 14 . 1 1 80 80 ASP H H 80 8.294 8.294 7.723 0.571 19553 4798 1 14 . 1 1 81 81 LEU N N 81 125.106 125.106 125.931 -0.825 19553 4799 1 14 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.621 -0.138 19553 4800 1 14 . 1 1 81 81 LEU C C 81 178.326 178.326 174.791 3.535 19553 4801 1 14 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.780 0.330 19553 4802 1 14 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.248 -3.158 19553 4803 1 14 . 1 1 81 81 LEU H H 81 8.532 8.532 8.351 0.181 19553 4804 1 14 . 1 1 82 82 ILE N N 82 120.036 120.036 122.979 -2.943 19553 4805 1 14 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.852 -0.032 19553 4806 1 14 . 1 1 82 82 ILE C C 82 177.782 177.782 175.735 2.047 19553 4807 1 14 . 1 1 82 82 ILE CA C 82 59.174 59.174 59.670 -0.496 19553 4808 1 14 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.583 1.336 19553 4809 1 14 . 1 1 82 82 ILE H H 82 7.848 7.848 8.075 -0.227 19553 4810 1 14 . 1 1 83 83 VAL N N 83 119.733 119.733 120.184 -0.451 19553 4811 1 14 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.890 -0.460 19553 4812 1 14 . 1 1 83 83 VAL C C 83 179.809 179.809 174.022 5.787 19553 4813 1 14 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.679 -0.226 19553 4814 1 14 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.711 -0.558 19553 4815 1 14 . 1 1 83 83 VAL H H 83 8.511 8.511 9.017 -0.506 19553 4816 1 14 . 1 1 84 84 HIS N N 84 122.907 122.907 118.330 4.577 19553 4817 1 14 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.523 0.037 19553 4818 1 14 . 1 1 84 84 HIS C C 84 178.593 178.593 174.595 3.998 19553 4819 1 14 . 1 1 84 84 HIS CA C 84 54.577 54.577 53.556 1.022 19553 4820 1 14 . 1 1 84 84 HIS CB C 84 30.967 30.967 30.555 0.412 19553 4821 1 14 . 1 1 84 84 HIS H H 84 8.908 8.908 8.586 0.322 19553 4822 1 14 . 1 1 85 85 GLU N N 85 124.766 124.766 125.548 -0.782 19553 4823 1 14 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.485 0.281 19553 4824 1 14 . 1 1 85 85 GLU C C 85 176.641 176.641 176.993 -0.352 19553 4825 1 14 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.846 1.526 19553 4826 1 14 . 1 1 85 85 GLU CB C 85 32.921 32.921 31.078 1.843 19553 4827 1 14 . 1 1 85 85 GLU H H 85 8.979 8.979 8.913 0.066 19553 4828 1 14 . 1 1 86 86 GLY N N 86 119.987 119.987 113.595 6.392 19553 4829 1 14 . 1 1 86 86 GLY C C 86 178.249 178.249 174.882 3.367 19553 4830 1 14 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.889 1.387 19553 4831 1 14 . 1 1 86 86 GLY H H 86 9.540 9.540 9.166 0.374 19553 4832 1 14 . 1 1 87 87 GLY N N 87 108.242 108.242 105.260 2.982 19553 4833 1 14 . 1 1 87 87 GLY C C 87 179.578 179.578 174.652 4.926 19553 4834 1 14 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.059 -0.117 19553 4835 1 14 . 1 1 87 87 GLY H H 87 8.920 8.920 8.642 0.278 19553 4836 1 14 . 1 1 88 88 LYS N N 88 121.010 121.010 122.789 -1.779 19553 4837 1 14 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.571 0.047 19553 4838 1 14 . 1 1 88 88 LYS C C 88 178.241 178.241 175.712 2.529 19553 4839 1 14 . 1 1 88 88 LYS CA C 88 54.917 54.917 53.995 0.922 19553 4840 1 14 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.131 2.021 19553 4841 1 14 . 1 1 88 88 LYS H H 88 7.858 7.858 7.729 0.129 19553 4842 1 14 . 1 1 89 89 THR N N 89 117.172 117.172 118.668 -1.496 19553 4843 1 14 . 1 1 89 89 THR HA H 89 4.691 4.691 5.203 -0.512 19553 4844 1 14 . 1 1 89 89 THR C C 89 180.192 180.192 174.220 5.972 19553 4845 1 14 . 1 1 89 89 THR CA C 89 61.646 61.646 61.375 0.271 19553 4846 1 14 . 1 1 89 89 THR CB C 89 70.339 70.339 68.279 2.060 19553 4847 1 14 . 1 1 89 89 THR H H 89 8.230 8.230 8.457 -0.227 19553 4848 1 14 . 1 1 90 90 TYR N N 90 123.521 123.521 125.558 -2.037 19553 4849 1 14 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.711 -0.032 19553 4850 1 14 . 1 1 90 90 TYR C C 90 179.282 179.282 175.179 4.103 19553 4851 1 14 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.922 -0.515 19553 4852 1 14 . 1 1 90 90 TYR CB C 90 40.972 40.972 41.115 -0.143 19553 4853 1 14 . 1 1 90 90 TYR H H 90 8.927 8.927 8.990 -0.063 19553 4854 1 14 . 1 1 91 91 HIS N N 91 120.999 120.999 120.825 0.174 19553 4855 1 14 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.240 -0.154 19553 4856 1 14 . 1 1 91 91 HIS C C 91 178.719 178.719 175.118 3.601 19553 4857 1 14 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.758 -0.775 19553 4858 1 14 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.785 -2.293 19553 4859 1 14 . 1 1 91 91 HIS H H 91 8.987 8.987 8.733 0.254 19553 4860 1 14 . 1 1 92 92 VAL N N 92 120.849 120.849 124.739 -3.890 19553 4861 1 14 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.250 0.150 19553 4862 1 14 . 1 1 92 92 VAL C C 92 180.110 180.110 173.651 6.459 19553 4863 1 14 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.470 -1.310 19553 4864 1 14 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.827 0.716 19553 4865 1 14 . 1 1 92 92 VAL H H 92 8.677 8.677 9.165 -0.488 19553 4866 1 14 . 1 1 93 93 VAL N N 93 121.626 121.626 126.631 -5.005 19553 4867 1 14 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.645 -0.464 19553 4868 1 14 . 1 1 93 93 VAL C C 93 178.555 178.555 174.582 3.973 19553 4869 1 14 . 1 1 93 93 VAL CA C 93 60.547 60.547 59.818 0.729 19553 4870 1 14 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.065 0.210 19553 4871 1 14 . 1 1 93 93 VAL H H 93 7.997 7.997 8.145 -0.148 19553 4872 1 14 . 1 1 94 94 CYS N N 94 123.035 123.035 126.452 -3.417 19553 4873 1 14 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.270 0.123 19553 4874 1 14 . 1 1 94 94 CYS CA C 94 53.491 53.491 57.849 -4.358 19553 4875 1 14 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.497 14.995 19553 4876 1 14 . 1 1 94 94 CYS H H 94 7.890 7.890 8.112 -0.222 19553 4877 1 14 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.513 -0.080 19553 4878 1 14 . 1 1 95 95 HIS C C 95 179.991 179.991 174.803 5.188 19553 4879 1 14 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.303 -0.892 19553 4880 1 14 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.769 0.506 19553 4881 1 14 . 1 1 96 96 GLU N N 96 117.019 117.019 118.773 -1.754 19553 4882 1 14 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.736 0.105 19553 4883 1 14 . 1 1 96 96 GLU C C 96 178.360 178.360 175.215 3.145 19553 4884 1 14 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.285 -0.845 19553 4885 1 14 . 1 1 96 96 GLU CB C 96 32.505 32.505 31.813 0.692 19553 4886 1 14 . 1 1 96 96 GLU H H 96 7.623 7.623 7.914 -0.291 19553 4887 1 14 . 1 1 97 97 GLU N N 97 121.779 121.779 123.298 -1.519 19553 4888 1 14 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.594 -0.151 19553 4889 1 14 . 1 1 97 97 GLU C C 97 176.658 176.658 176.331 0.327 19553 4890 1 14 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.909 1.023 19553 4891 1 14 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.433 0.218 19553 4892 1 14 . 1 1 97 97 GLU H H 97 9.280 9.280 8.847 0.433 19553 4893 1 14 . 1 1 98 98 GLY N N 98 109.900 109.900 112.475 -2.575 19553 4894 1 14 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.458 -0.181 19553 4895 1 14 . 1 1 98 98 GLY H H 98 8.745 8.745 8.581 0.164 19553 4896 1 14 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.575 0.094 19553 4897 1 14 . 1 1 99 99 PRO C C 99 176.795 176.795 175.985 0.810 19553 4898 1 14 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.285 0.286 19553 4899 1 14 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.797 0.889 19553 4900 1 14 . 1 1 100 100 ILE N N 100 118.686 118.686 118.165 0.521 19553 4901 1 14 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.081 -0.174 19553 4902 1 14 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.367 1.839 19553 4903 1 14 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.368 0.736 19553 4904 1 14 . 1 1 100 100 ILE H H 100 9.748 9.748 8.986 0.762 19553 4905 1 14 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.563 -0.432 19553 4906 1 14 . 1 1 101 101 PRO C C 101 177.525 177.525 176.263 1.262 19553 4907 1 14 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.939 0.144 19553 4908 1 14 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.904 -1.234 19553 4909 1 14 . 1 1 102 102 HIS N N 102 123.222 123.222 120.000 3.222 19553 4910 1 14 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.703 -0.115 19553 4911 1 14 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.076 -1.512 19553 4912 1 14 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.094 -0.224 19553 4913 1 14 . 1 1 102 102 HIS H H 102 8.717 8.717 8.737 -0.020 19553 4914 1 14 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.234 0.047 19553 4915 1 14 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.021 -0.546 19553 4916 1 14 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.673 0.313 19553 4917 1 14 . 1 1 104 104 GLY N N 104 106.530 106.530 106.829 -0.299 19553 4918 1 14 . 1 1 104 104 GLY C C 104 180.058 180.058 173.963 6.095 19553 4919 1 14 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.280 0.431 19553 4920 1 14 . 1 1 104 104 GLY H H 104 9.682 9.682 7.192 2.490 19553 4921 1 14 . 1 1 105 105 ASN N N 105 118.099 118.099 117.125 0.974 19553 4922 1 14 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.814 -0.138 19553 4923 1 14 . 1 1 105 105 ASN C C 105 178.082 178.082 175.556 2.526 19553 4924 1 14 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.756 1.478 19553 4925 1 14 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.644 -0.471 19553 4926 1 14 . 1 1 105 105 ASN H H 105 6.870 6.870 7.944 -1.074 19553 4927 1 14 . 1 1 106 106 VAL N N 106 123.752 123.752 118.227 5.525 19553 4928 1 14 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.768 0.811 19553 4929 1 14 . 1 1 106 106 VAL C C 106 178.463 178.463 175.855 2.608 19553 4930 1 14 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.841 -1.528 19553 4931 1 14 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.097 0.515 19553 4932 1 14 . 1 1 106 106 VAL H H 106 8.774 8.774 8.567 0.207 19553 4933 1 14 . 1 1 107 107 HIS N N 107 116.712 116.712 117.223 -0.511 19553 4934 1 14 . 1 1 107 107 HIS HA H 107 4.590 4.590 5.054 -0.464 19553 4935 1 14 . 1 1 107 107 HIS C C 107 180.421 180.421 175.066 5.355 19553 4936 1 14 . 1 1 107 107 HIS CA C 107 56.649 56.649 56.793 -0.144 19553 4937 1 14 . 1 1 107 107 HIS CB C 107 27.754 27.754 28.881 -1.127 19553 4938 1 14 . 1 1 107 107 HIS H H 107 9.171 9.171 8.207 0.964 19553 4939 1 14 . 1 1 108 108 LYS N N 108 119.379 119.379 118.149 1.230 19553 4940 1 14 . 1 1 108 108 LYS HA H 108 5.118 5.118 5.038 0.080 19553 4941 1 14 . 1 1 108 108 LYS C C 108 181.487 181.487 174.567 6.920 19553 4942 1 14 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.174 -0.616 19553 4943 1 14 . 1 1 108 108 LYS CB C 108 39.349 39.349 37.112 2.237 19553 4944 1 14 . 1 1 108 108 LYS H H 108 7.627 7.627 7.862 -0.235 19553 4945 1 14 . 1 1 109 109 TYR N N 109 114.203 114.203 117.737 -3.534 19553 4946 1 14 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.879 -0.302 19553 4947 1 14 . 1 1 109 109 TYR C C 109 181.588 181.588 172.681 8.907 19553 4948 1 14 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.737 0.630 19553 4949 1 14 . 1 1 109 109 TYR CB C 109 37.795 37.795 40.953 -3.158 19553 4950 1 14 . 1 1 109 109 TYR H H 109 9.006 9.006 9.164 -0.158 19553 4951 1 14 . 1 1 110 110 ILE N N 110 119.840 119.840 118.534 1.306 19553 4952 1 14 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.707 -0.022 19553 4953 1 14 . 1 1 110 110 ILE C C 110 178.917 178.917 174.990 3.927 19553 4954 1 14 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.188 0.052 19553 4955 1 14 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.305 -0.075 19553 4956 1 14 . 1 1 110 110 ILE H H 110 8.764 8.764 9.022 -0.258 19553 4957 1 14 . 1 1 111 111 ILE N N 111 124.346 124.346 126.734 -2.388 19553 4958 1 14 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.291 0.041 19553 4959 1 14 . 1 1 111 111 ILE C C 111 175.896 175.896 174.651 1.245 19553 4960 1 14 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.340 0.361 19553 4961 1 14 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.183 1.330 19553 4962 1 14 . 1 1 111 111 ILE H H 111 9.032 9.032 8.573 0.459 19553 4963 1 14 . 1 1 112 112 CYS N N 112 128.772 128.772 128.127 0.645 19553 4964 1 14 . 1 1 112 112 CYS HA H 112 5.081 5.081 5.311 -0.230 19553 4965 1 14 . 1 1 112 112 CYS C C 112 178.268 178.268 174.813 3.455 19553 4966 1 14 . 1 1 112 112 CYS CA C 112 57.242 57.242 57.701 -0.459 19553 4967 1 14 . 1 1 112 112 CYS CB C 112 43.955 43.955 28.074 15.881 19553 4968 1 14 . 1 1 112 112 CYS H H 112 8.517 8.517 8.896 -0.379 19553 4969 1 14 . 1 1 113 113 SER N N 113 120.988 120.988 120.781 0.207 19553 4970 1 14 . 1 1 113 113 SER HA H 113 4.996 4.996 5.103 -0.107 19553 4971 1 14 . 1 1 113 113 SER C C 113 182.750 182.750 172.086 10.664 19553 4972 1 14 . 1 1 113 113 SER CA C 113 57.517 57.517 57.818 -0.301 19553 4973 1 14 . 1 1 113 113 SER CB C 113 65.528 65.528 65.797 -0.269 19553 4974 1 14 . 1 1 113 113 SER H H 113 9.361 9.361 9.606 -0.245 19553 4975 1 14 . 1 1 114 114 LYS N N 114 123.657 123.657 127.253 -3.596 19553 4976 1 14 . 1 1 114 114 LYS HA H 114 4.604 4.604 3.978 0.626 19553 4977 1 14 . 1 1 114 114 LYS C C 114 176.524 176.524 176.398 0.126 19553 4978 1 14 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.748 0.114 19553 4979 1 14 . 1 1 114 114 LYS CB C 114 34.383 34.383 32.743 1.640 19553 4980 1 14 . 1 1 114 114 LYS H H 114 8.899 8.899 9.507 -0.608 19553 4981 1 14 . 1 1 115 115 SER N N 115 119.515 119.515 125.601 -6.086 19553 4982 1 14 . 1 1 115 115 SER HA H 115 4.589 4.589 4.678 -0.089 19553 4983 1 14 . 1 1 115 115 SER C C 115 178.064 178.064 174.484 3.580 19553 4984 1 14 . 1 1 115 115 SER CA C 115 56.468 56.468 56.591 -0.123 19553 4985 1 14 . 1 1 115 115 SER CB C 115 63.236 63.236 62.251 0.986 19553 4986 1 14 . 1 1 115 115 SER H H 115 8.560 8.560 8.935 -0.375 19553 4987 1 14 . 1 1 116 116 GLY N N 116 118.606 118.606 115.078 3.528 19553 4988 1 14 . 1 1 116 116 GLY C C 116 178.577 178.577 174.010 4.567 19553 4989 1 14 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.674 0.273 19553 4990 1 14 . 1 1 116 116 GLY H H 116 9.067 9.067 8.095 0.972 19553 4991 1 14 . 1 1 117 117 SER N N 117 121.443 121.443 118.545 2.898 19553 4992 1 14 . 1 1 117 117 SER HA H 117 4.310 4.310 4.496 -0.186 19553 4993 1 14 . 1 1 117 117 SER C C 117 180.107 180.107 173.623 6.484 19553 4994 1 14 . 1 1 117 117 SER CA C 117 58.416 58.416 57.711 0.705 19553 4995 1 14 . 1 1 117 117 SER CB C 117 63.758 63.758 64.476 -0.718 19553 4996 1 14 . 1 1 117 117 SER H H 117 8.908 8.908 8.306 0.602 19553 4997 1 14 . 1 1 118 118 LEU N N 118 123.028 123.028 124.444 -1.416 19553 4998 1 14 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.670 -0.084 19553 4999 1 14 . 1 1 118 118 LEU C C 118 177.894 177.894 174.299 3.595 19553 5000 1 14 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.222 -0.105 19553 5001 1 14 . 1 1 118 118 LEU CB C 118 44.230 44.230 45.083 -0.853 19553 5002 1 14 . 1 1 118 118 LEU H H 118 7.763 7.763 7.439 0.324 19553 5003 1 14 . 1 1 119 119 TRP N N 119 120.523 120.523 126.785 -6.262 19553 5004 1 14 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.267 -0.049 19553 5005 1 14 . 1 1 119 119 TRP C C 119 177.735 177.735 175.485 2.250 19553 5006 1 14 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.365 0.076 19553 5007 1 14 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.718 1.463 19553 5008 1 14 . 1 1 119 119 TRP H H 119 8.102 8.102 8.802 -0.700 19553 5009 1 14 . 1 1 120 120 TYR N N 120 119.365 119.365 121.359 -1.994 19553 5010 1 14 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.717 0.138 19553 5011 1 14 . 1 1 120 120 TYR C C 120 179.683 179.683 174.709 4.974 19553 5012 1 14 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.916 -1.489 19553 5013 1 14 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.022 0.766 19553 5014 1 14 . 1 1 120 120 TYR H H 120 9.495 9.495 9.411 0.084 19553 5015 1 14 . 1 1 121 121 ILE N N 121 111.471 111.471 118.810 -7.339 19553 5016 1 14 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.636 0.059 19553 5017 1 14 . 1 1 121 121 ILE C C 121 177.137 177.137 175.650 1.487 19553 5018 1 14 . 1 1 121 121 ILE CA C 121 58.266 58.266 57.718 0.548 19553 5019 1 14 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.954 1.237 19553 5020 1 14 . 1 1 121 121 ILE H H 121 8.338 8.338 8.494 -0.156 19553 5021 1 14 . 1 1 122 122 THR N N 122 116.120 116.120 118.602 -2.482 19553 5022 1 14 . 1 1 122 122 THR HA H 122 4.493 4.493 4.546 -0.053 19553 5023 1 14 . 1 1 122 122 THR C C 122 180.251 180.251 172.204 8.047 19553 5024 1 14 . 1 1 122 122 THR CA C 122 61.437 61.437 61.790 -0.353 19553 5025 1 14 . 1 1 122 122 THR CB C 122 71.892 71.892 71.093 0.799 19553 5026 1 14 . 1 1 122 122 THR H H 122 7.796 7.796 8.501 -0.705 19553 5027 1 14 . 1 1 123 123 VAL N N 123 128.072 128.072 127.969 0.103 19553 5028 1 14 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.514 -0.242 19553 5029 1 14 . 1 1 123 123 VAL C C 123 178.576 178.576 174.495 4.081 19553 5030 1 14 . 1 1 123 123 VAL CA C 123 62.958 62.958 60.972 1.986 19553 5031 1 14 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.590 -0.558 19553 5032 1 14 . 1 1 123 123 VAL H H 123 9.009 9.009 8.557 0.452 19553 5033 1 14 . 1 1 124 124 MET N N 124 127.234 127.234 128.137 -0.903 19553 5034 1 14 . 1 1 124 124 MET HA H 124 5.053 5.053 4.931 0.122 19553 5035 1 14 . 1 1 124 124 MET CA C 124 50.145 50.145 51.065 -0.920 19553 5036 1 14 . 1 1 124 124 MET CB C 124 33.625 33.625 33.108 0.517 19553 5037 1 14 . 1 1 124 124 MET H H 124 8.799 8.799 8.405 0.394 19553 5038 1 14 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.633 0.258 19553 5039 1 14 . 1 1 125 125 PRO C C 125 174.594 174.594 176.065 -1.471 19553 5040 1 14 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.382 -0.818 19553 5041 1 14 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.104 -0.794 19553 5042 1 14 . 1 1 126 126 CYS N N 126 119.444 119.444 123.258 -3.814 19553 5043 1 14 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.738 0.393 19553 5044 1 14 . 1 1 126 126 CYS C C 126 177.425 177.425 174.760 2.665 19553 5045 1 14 . 1 1 126 126 CYS CA C 126 53.556 53.556 57.278 -3.722 19553 5046 1 14 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.855 9.422 19553 5047 1 14 . 1 1 126 126 CYS H H 126 8.355 8.355 8.854 -0.499 19553 5048 1 14 . 1 1 127 127 SER N N 127 117.888 117.888 117.437 0.451 19553 5049 1 14 . 1 1 127 127 SER HA H 127 4.382 4.382 4.435 -0.053 19553 5050 1 14 . 1 1 127 127 SER C C 127 178.499 178.499 174.317 4.182 19553 5051 1 14 . 1 1 127 127 SER CA C 127 59.179 59.179 58.890 0.289 19553 5052 1 14 . 1 1 127 127 SER CB C 127 63.503 63.503 63.708 -0.205 19553 5053 1 14 . 1 1 127 127 SER H H 127 8.255 8.255 8.484 -0.229 19553 5054 1 14 . 1 1 128 128 ILE N N 128 125.176 125.176 123.306 1.870 19553 5055 1 14 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.878 0.110 19553 5056 1 14 . 1 1 128 128 ILE C C 128 176.825 176.825 177.416 -0.591 19553 5057 1 14 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.151 0.156 19553 5058 1 14 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.955 -0.330 19553 5059 1 14 . 1 1 128 128 ILE H H 128 8.727 8.727 8.472 0.255 19553 5060 1 14 . 1 1 129 129 GLY N N 129 114.581 114.581 114.407 0.174 19553 5061 1 14 . 1 1 129 129 GLY C C 129 178.928 178.928 174.319 4.609 19553 5062 1 14 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.150 -0.266 19553 5063 1 14 . 1 1 129 129 GLY H H 129 8.888 8.888 8.514 0.374 19553 5064 1 14 . 1 1 130 130 THR N N 130 110.279 110.279 112.640 -2.361 19553 5065 1 14 . 1 1 130 130 THR HA H 130 5.294 5.294 5.258 0.036 19553 5066 1 14 . 1 1 130 130 THR C C 130 180.377 180.377 172.950 7.427 19553 5067 1 14 . 1 1 130 130 THR CA C 130 60.262 60.262 60.035 0.227 19553 5068 1 14 . 1 1 130 130 THR CB C 130 72.701 72.701 72.075 0.626 19553 5069 1 14 . 1 1 130 130 THR H H 130 8.132 8.132 7.821 0.311 19553 5070 1 14 . 1 1 131 131 LYS N N 131 117.394 117.394 119.225 -1.831 19553 5071 1 14 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.114 -0.285 19553 5072 1 14 . 1 1 131 131 LYS C C 131 179.939 179.939 174.487 5.452 19553 5073 1 14 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.273 -0.220 19553 5074 1 14 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.199 -0.254 19553 5075 1 14 . 1 1 131 131 LYS H H 131 9.579 9.579 9.171 0.408 19553 5076 1 14 . 1 1 132 132 PHE N N 132 123.518 123.518 123.124 0.394 19553 5077 1 14 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.869 -0.476 19553 5078 1 14 . 1 1 132 132 PHE C C 132 178.908 178.908 174.888 4.020 19553 5079 1 14 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.267 1.659 19553 5080 1 14 . 1 1 132 132 PHE CB C 132 39.295 39.295 41.059 -1.764 19553 5081 1 14 . 1 1 132 132 PHE H H 132 9.347 9.347 8.846 0.501 19553 5082 1 14 . 1 1 133 133 ASP N N 133 130.494 130.494 127.100 3.394 19553 5083 1 14 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.988 -0.012 19553 5084 1 14 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.508 -0.657 19553 5085 1 14 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.219 0.196 19553 5086 1 14 . 1 1 133 133 ASP H H 133 8.091 8.091 8.231 -0.140 19553 5087 1 14 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.500 -0.423 19553 5088 1 14 . 1 1 134 134 PRO C C 134 176.646 176.646 176.913 -0.267 19553 5089 1 14 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.827 -1.191 19553 5090 1 14 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.358 0.442 19553 5091 1 14 . 1 1 135 135 ILE N N 135 118.026 118.026 116.505 1.521 19553 5092 1 14 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.042 -0.142 19553 5093 1 14 . 1 1 135 135 ILE C C 135 175.842 175.842 177.767 -1.925 19553 5094 1 14 . 1 1 135 135 ILE CA C 135 63.390 63.390 61.474 1.915 19553 5095 1 14 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.785 -1.869 19553 5096 1 14 . 1 1 135 135 ILE H H 135 7.844 7.844 7.503 0.341 19553 5097 1 14 . 1 1 136 136 SER N N 136 113.845 113.845 114.741 -0.896 19553 5098 1 14 . 1 1 136 136 SER HA H 136 4.144 4.144 4.205 -0.061 19553 5099 1 14 . 1 1 136 136 SER C C 136 178.752 178.752 174.404 4.348 19553 5100 1 14 . 1 1 136 136 SER CA C 136 59.461 59.461 60.451 -0.990 19553 5101 1 14 . 1 1 136 136 SER CB C 136 63.840 63.840 63.614 0.226 19553 5102 1 14 . 1 1 136 136 SER H H 136 7.779 7.779 8.992 -1.213 19553 5103 1 14 . 1 1 137 137 ARG N N 137 116.720 116.720 116.025 0.695 19553 5104 1 14 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.818 -0.587 19553 5105 1 14 . 1 1 137 137 ARG C C 137 180.002 180.002 174.049 5.953 19553 5106 1 14 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.500 0.610 19553 5107 1 14 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.165 -0.962 19553 5108 1 14 . 1 1 137 137 ARG H H 137 7.935 7.935 7.840 0.095 19553 5109 1 14 . 1 1 138 138 ASN N N 138 113.845 113.845 113.005 0.840 19553 5110 1 14 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.537 0.164 19553 5111 1 14 . 1 1 138 138 ASN C C 138 179.580 179.580 172.631 6.949 19553 5112 1 14 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.502 -0.690 19553 5113 1 14 . 1 1 138 138 ASN CB C 138 41.745 41.745 41.304 0.441 19553 5114 1 14 . 1 1 138 138 ASN H H 138 6.857 6.857 6.972 -0.115 19553 5115 1 14 . 1 1 139 139 CYS N N 139 120.168 120.168 119.869 0.299 19553 5116 1 14 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.339 -0.119 19553 5117 1 14 . 1 1 139 139 CYS C C 139 178.616 178.616 175.021 3.595 19553 5118 1 14 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.308 -2.120 19553 5119 1 14 . 1 1 139 139 CYS CB C 139 40.808 40.808 26.921 13.887 19553 5120 1 14 . 1 1 139 139 CYS H H 139 8.519 8.519 8.452 0.067 19553 5121 1 14 . 1 1 140 140 VAL N N 140 119.928 119.928 121.344 -1.416 19553 5122 1 14 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.512 0.155 19553 5123 1 14 . 1 1 140 140 VAL C C 140 178.299 178.299 174.799 3.500 19553 5124 1 14 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.858 -0.720 19553 5125 1 14 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.014 1.388 19553 5126 1 14 . 1 1 140 140 VAL H H 140 9.531 9.531 9.317 0.214 19553 5127 1 14 . 1 1 141 141 LEU N N 141 121.749 121.749 123.444 -1.695 19553 5128 1 14 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.195 -0.186 19553 5129 1 14 . 1 1 141 141 LEU C C 141 176.847 176.847 176.231 0.616 19553 5130 1 14 . 1 1 141 141 LEU CA C 141 56.842 56.842 56.032 0.810 19553 5131 1 14 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.367 0.835 19553 5132 1 14 . 1 1 141 141 LEU H H 141 8.363 8.363 8.533 -0.170 19553 5133 1 14 . 1 1 142 142 ASP N N 142 123.416 123.416 128.311 -4.895 19553 5134 1 14 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.665 -0.038 19553 5135 1 14 . 1 1 142 142 ASP C C 142 179.175 179.175 174.592 4.583 19553 5136 1 14 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.369 -1.325 19553 5137 1 14 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.409 -0.668 19553 5138 1 14 . 1 1 142 142 ASP H H 142 8.271 8.271 8.546 -0.275 19553 5139 1 15 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.589 -0.068 19553 5140 1 15 . 1 1 76 76 PRO C C 76 176.427 176.427 176.110 0.317 19553 5141 1 15 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.758 0.298 19553 5142 1 15 . 1 1 76 76 PRO CB C 76 32.361 32.361 30.207 2.154 19553 5143 1 15 . 1 1 77 77 LEU N N 77 122.647 122.647 120.622 2.025 19553 5144 1 15 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.505 -0.076 19553 5145 1 15 . 1 1 77 77 LEU C C 77 175.532 175.532 177.601 -2.069 19553 5146 1 15 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.212 1.438 19553 5147 1 15 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.502 -0.161 19553 5148 1 15 . 1 1 77 77 LEU H H 77 8.571 8.571 7.647 0.924 19553 5149 1 15 . 1 1 78 78 GLY N N 78 110.072 110.072 106.277 3.795 19553 5150 1 15 . 1 1 78 78 GLY C C 78 179.395 179.395 174.998 4.397 19553 5151 1 15 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.611 -0.341 19553 5152 1 15 . 1 1 78 78 GLY H H 78 8.483 8.483 8.337 0.146 19553 5153 1 15 . 1 1 79 79 SER N N 79 115.122 115.122 115.132 -0.010 19553 5154 1 15 . 1 1 79 79 SER HA H 79 4.549 4.549 4.125 0.424 19553 5155 1 15 . 1 1 79 79 SER C C 79 179.859 179.859 173.296 6.563 19553 5156 1 15 . 1 1 79 79 SER CA C 79 58.151 58.151 59.953 -1.802 19553 5157 1 15 . 1 1 79 79 SER CB C 79 64.330 64.330 63.629 0.701 19553 5158 1 15 . 1 1 79 79 SER H H 79 8.151 8.151 7.986 0.165 19553 5159 1 15 . 1 1 80 80 ASP N N 80 122.779 122.779 120.242 2.537 19553 5160 1 15 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.069 -0.316 19553 5161 1 15 . 1 1 80 80 ASP C C 80 178.137 178.137 174.500 3.637 19553 5162 1 15 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.004 1.024 19553 5163 1 15 . 1 1 80 80 ASP CB C 80 41.202 41.202 41.873 -0.672 19553 5164 1 15 . 1 1 80 80 ASP H H 80 8.294 8.294 7.713 0.581 19553 5165 1 15 . 1 1 81 81 LEU N N 81 125.106 125.106 126.324 -1.218 19553 5166 1 15 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.814 -0.331 19553 5167 1 15 . 1 1 81 81 LEU C C 81 178.326 178.326 174.602 3.724 19553 5168 1 15 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.157 0.953 19553 5169 1 15 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.577 -3.487 19553 5170 1 15 . 1 1 81 81 LEU H H 81 8.532 8.532 8.406 0.126 19553 5171 1 15 . 1 1 82 82 ILE N N 82 120.036 120.036 123.657 -3.621 19553 5172 1 15 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.958 -0.138 19553 5173 1 15 . 1 1 82 82 ILE C C 82 177.782 177.782 175.698 2.084 19553 5174 1 15 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.276 -1.102 19553 5175 1 15 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.580 1.339 19553 5176 1 15 . 1 1 82 82 ILE H H 82 7.848 7.848 7.797 0.051 19553 5177 1 15 . 1 1 83 83 VAL N N 83 119.733 119.733 119.625 0.108 19553 5178 1 15 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.771 -0.341 19553 5179 1 15 . 1 1 83 83 VAL C C 83 179.809 179.809 173.557 6.252 19553 5180 1 15 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.099 0.354 19553 5181 1 15 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.666 -0.513 19553 5182 1 15 . 1 1 83 83 VAL H H 83 8.511 8.511 8.891 -0.380 19553 5183 1 15 . 1 1 84 84 HIS N N 84 122.907 122.907 115.658 7.249 19553 5184 1 15 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.549 0.011 19553 5185 1 15 . 1 1 84 84 HIS C C 84 178.593 178.593 174.730 3.863 19553 5186 1 15 . 1 1 84 84 HIS CA C 84 54.577 54.577 53.833 0.744 19553 5187 1 15 . 1 1 84 84 HIS CB C 84 30.967 30.967 31.081 -0.114 19553 5188 1 15 . 1 1 84 84 HIS H H 84 8.908 8.908 8.187 0.721 19553 5189 1 15 . 1 1 85 85 GLU N N 85 124.766 124.766 125.559 -0.793 19553 5190 1 15 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.526 0.240 19553 5191 1 15 . 1 1 85 85 GLU C C 85 176.641 176.641 177.011 -0.370 19553 5192 1 15 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.879 1.493 19553 5193 1 15 . 1 1 85 85 GLU CB C 85 32.921 32.921 31.081 1.839 19553 5194 1 15 . 1 1 85 85 GLU H H 85 8.979 8.979 9.071 -0.092 19553 5195 1 15 . 1 1 86 86 GLY N N 86 119.987 119.987 113.514 6.473 19553 5196 1 15 . 1 1 86 86 GLY C C 86 178.249 178.249 175.018 3.231 19553 5197 1 15 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.788 1.488 19553 5198 1 15 . 1 1 86 86 GLY H H 86 9.540 9.540 9.209 0.331 19553 5199 1 15 . 1 1 87 87 GLY N N 87 108.242 108.242 105.506 2.736 19553 5200 1 15 . 1 1 87 87 GLY C C 87 179.578 179.578 174.746 4.832 19553 5201 1 15 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.149 -0.208 19553 5202 1 15 . 1 1 87 87 GLY H H 87 8.920 8.920 8.760 0.160 19553 5203 1 15 . 1 1 88 88 LYS N N 88 121.010 121.010 122.838 -1.828 19553 5204 1 15 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.545 0.073 19553 5205 1 15 . 1 1 88 88 LYS C C 88 178.241 178.241 175.683 2.558 19553 5206 1 15 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.029 0.888 19553 5207 1 15 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.196 1.956 19553 5208 1 15 . 1 1 88 88 LYS H H 88 7.858 7.858 7.601 0.257 19553 5209 1 15 . 1 1 89 89 THR N N 89 117.172 117.172 118.374 -1.202 19553 5210 1 15 . 1 1 89 89 THR HA H 89 4.691 4.691 5.180 -0.489 19553 5211 1 15 . 1 1 89 89 THR C C 89 180.192 180.192 174.063 6.129 19553 5212 1 15 . 1 1 89 89 THR CA C 89 61.646 61.646 61.619 0.027 19553 5213 1 15 . 1 1 89 89 THR CB C 89 70.339 70.339 68.746 1.593 19553 5214 1 15 . 1 1 89 89 THR H H 89 8.230 8.230 8.431 -0.201 19553 5215 1 15 . 1 1 90 90 TYR N N 90 123.521 123.521 126.206 -2.685 19553 5216 1 15 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.739 -0.060 19553 5217 1 15 . 1 1 90 90 TYR C C 90 179.282 179.282 175.245 4.037 19553 5218 1 15 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.996 -0.589 19553 5219 1 15 . 1 1 90 90 TYR CB C 90 40.972 40.972 40.950 0.022 19553 5220 1 15 . 1 1 90 90 TYR H H 90 8.927 8.927 8.620 0.307 19553 5221 1 15 . 1 1 91 91 HIS N N 91 120.999 120.999 120.560 0.439 19553 5222 1 15 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.407 -0.321 19553 5223 1 15 . 1 1 91 91 HIS C C 91 178.719 178.719 175.220 3.499 19553 5224 1 15 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.336 -0.353 19553 5225 1 15 . 1 1 91 91 HIS CB C 91 29.492 29.492 32.060 -2.568 19553 5226 1 15 . 1 1 91 91 HIS H H 91 8.987 8.987 8.734 0.253 19553 5227 1 15 . 1 1 92 92 VAL N N 92 120.849 120.849 124.275 -3.426 19553 5228 1 15 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.262 0.138 19553 5229 1 15 . 1 1 92 92 VAL C C 92 180.110 180.110 174.005 6.105 19553 5230 1 15 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.619 -1.459 19553 5231 1 15 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.401 1.142 19553 5232 1 15 . 1 1 92 92 VAL H H 92 8.677 8.677 9.216 -0.539 19553 5233 1 15 . 1 1 93 93 VAL N N 93 121.626 121.626 126.774 -5.148 19553 5234 1 15 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.751 -0.570 19553 5235 1 15 . 1 1 93 93 VAL C C 93 178.555 178.555 175.870 2.685 19553 5236 1 15 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.754 -0.207 19553 5237 1 15 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.448 -0.173 19553 5238 1 15 . 1 1 93 93 VAL H H 93 7.997 7.997 8.292 -0.295 19553 5239 1 15 . 1 1 94 94 CYS N N 94 123.035 123.035 126.850 -3.815 19553 5240 1 15 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.595 -0.202 19553 5241 1 15 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.572 -5.081 19553 5242 1 15 . 1 1 94 94 CYS CB C 94 41.492 41.492 25.613 15.879 19553 5243 1 15 . 1 1 94 94 CYS H H 94 7.890 7.890 8.610 -0.720 19553 5244 1 15 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.380 0.053 19553 5245 1 15 . 1 1 95 95 HIS C C 95 179.991 179.991 174.462 5.529 19553 5246 1 15 . 1 1 95 95 HIS CA C 95 55.411 55.411 57.759 -2.348 19553 5247 1 15 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.514 0.761 19553 5248 1 15 . 1 1 96 96 GLU N N 96 117.019 117.019 116.667 0.352 19553 5249 1 15 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.730 0.111 19553 5250 1 15 . 1 1 96 96 GLU C C 96 178.360 178.360 175.039 3.321 19553 5251 1 15 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.158 -0.719 19553 5252 1 15 . 1 1 96 96 GLU CB C 96 32.505 32.505 31.664 0.841 19553 5253 1 15 . 1 1 96 96 GLU H H 96 7.623 7.623 7.827 -0.204 19553 5254 1 15 . 1 1 97 97 GLU N N 97 121.779 121.779 119.961 1.818 19553 5255 1 15 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.596 -0.153 19553 5256 1 15 . 1 1 97 97 GLU C C 97 176.658 176.658 176.679 -0.021 19553 5257 1 15 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.435 1.497 19553 5258 1 15 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.106 0.545 19553 5259 1 15 . 1 1 97 97 GLU H H 97 9.280 9.280 8.699 0.581 19553 5260 1 15 . 1 1 98 98 GLY N N 98 109.900 109.900 110.686 -0.786 19553 5261 1 15 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.330 -0.054 19553 5262 1 15 . 1 1 98 98 GLY H H 98 8.745 8.745 8.673 0.072 19553 5263 1 15 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.568 0.101 19553 5264 1 15 . 1 1 99 99 PRO C C 99 176.795 176.795 176.198 0.597 19553 5265 1 15 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.248 0.322 19553 5266 1 15 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.892 0.795 19553 5267 1 15 . 1 1 100 100 ILE N N 100 118.686 118.686 117.531 1.155 19553 5268 1 15 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.077 -0.170 19553 5269 1 15 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.597 1.609 19553 5270 1 15 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.058 1.046 19553 5271 1 15 . 1 1 100 100 ILE H H 100 9.748 9.748 8.972 0.776 19553 5272 1 15 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.652 -0.521 19553 5273 1 15 . 1 1 101 101 PRO C C 101 177.525 177.525 176.357 1.168 19553 5274 1 15 . 1 1 101 101 PRO CA C 101 63.083 63.083 63.043 0.040 19553 5275 1 15 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.928 -1.258 19553 5276 1 15 . 1 1 102 102 HIS N N 102 123.222 123.222 119.562 3.660 19553 5277 1 15 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.743 -0.155 19553 5278 1 15 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.167 -1.603 19553 5279 1 15 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.204 -0.334 19553 5280 1 15 . 1 1 102 102 HIS H H 102 8.717 8.717 8.657 0.060 19553 5281 1 15 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.263 0.018 19553 5282 1 15 . 1 1 103 103 PRO CA C 103 63.475 63.475 63.986 -0.511 19553 5283 1 15 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.783 0.203 19553 5284 1 15 . 1 1 104 104 GLY N N 104 106.530 106.530 106.709 -0.179 19553 5285 1 15 . 1 1 104 104 GLY C C 104 180.058 180.058 173.690 6.368 19553 5286 1 15 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.099 0.612 19553 5287 1 15 . 1 1 104 104 GLY H H 104 9.682 9.682 7.344 2.338 19553 5288 1 15 . 1 1 105 105 ASN N N 105 118.099 118.099 117.092 1.007 19553 5289 1 15 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.758 -0.082 19553 5290 1 15 . 1 1 105 105 ASN C C 105 178.082 178.082 175.550 2.532 19553 5291 1 15 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.826 1.408 19553 5292 1 15 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.519 -0.346 19553 5293 1 15 . 1 1 105 105 ASN H H 105 6.870 6.870 7.757 -0.887 19553 5294 1 15 . 1 1 106 106 VAL N N 106 123.752 123.752 120.218 3.534 19553 5295 1 15 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.763 0.816 19553 5296 1 15 . 1 1 106 106 VAL C C 106 178.463 178.463 176.322 2.141 19553 5297 1 15 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.864 -1.551 19553 5298 1 15 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.052 0.560 19553 5299 1 15 . 1 1 106 106 VAL H H 106 8.774 8.774 8.524 0.250 19553 5300 1 15 . 1 1 107 107 HIS N N 107 116.712 116.712 118.115 -1.403 19553 5301 1 15 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.908 -0.318 19553 5302 1 15 . 1 1 107 107 HIS C C 107 180.421 180.421 175.710 4.711 19553 5303 1 15 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.127 -0.478 19553 5304 1 15 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.326 -1.572 19553 5305 1 15 . 1 1 107 107 HIS H H 107 9.171 9.171 8.252 0.919 19553 5306 1 15 . 1 1 108 108 LYS N N 108 119.379 119.379 117.430 1.949 19553 5307 1 15 . 1 1 108 108 LYS HA H 108 5.118 5.118 5.039 0.079 19553 5308 1 15 . 1 1 108 108 LYS C C 108 181.487 181.487 174.578 6.909 19553 5309 1 15 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.162 -0.604 19553 5310 1 15 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.773 2.576 19553 5311 1 15 . 1 1 108 108 LYS H H 108 7.627 7.627 7.817 -0.190 19553 5312 1 15 . 1 1 109 109 TYR N N 109 114.203 114.203 117.557 -3.354 19553 5313 1 15 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.910 -0.334 19553 5314 1 15 . 1 1 109 109 TYR C C 109 181.588 181.588 172.762 8.826 19553 5315 1 15 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.862 0.505 19553 5316 1 15 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.074 -3.279 19553 5317 1 15 . 1 1 109 109 TYR H H 109 9.006 9.006 9.232 -0.226 19553 5318 1 15 . 1 1 110 110 ILE N N 110 119.840 119.840 118.242 1.598 19553 5319 1 15 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.603 0.082 19553 5320 1 15 . 1 1 110 110 ILE C C 110 178.917 178.917 174.874 4.043 19553 5321 1 15 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.341 -0.101 19553 5322 1 15 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.621 -0.391 19553 5323 1 15 . 1 1 110 110 ILE H H 110 8.764 8.764 9.077 -0.313 19553 5324 1 15 . 1 1 111 111 ILE N N 111 124.346 124.346 126.799 -2.453 19553 5325 1 15 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.440 -0.108 19553 5326 1 15 . 1 1 111 111 ILE C C 111 175.896 175.896 174.780 1.116 19553 5327 1 15 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.176 0.525 19553 5328 1 15 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.309 1.204 19553 5329 1 15 . 1 1 111 111 ILE H H 111 9.032 9.032 8.664 0.368 19553 5330 1 15 . 1 1 112 112 CYS N N 112 128.772 128.772 128.717 0.055 19553 5331 1 15 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.983 0.098 19553 5332 1 15 . 1 1 112 112 CYS C C 112 178.268 178.268 174.419 3.849 19553 5333 1 15 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.063 -0.821 19553 5334 1 15 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.720 16.235 19553 5335 1 15 . 1 1 112 112 CYS H H 112 8.517 8.517 8.678 -0.161 19553 5336 1 15 . 1 1 113 113 SER N N 113 120.988 120.988 120.116 0.872 19553 5337 1 15 . 1 1 113 113 SER HA H 113 4.996 4.996 4.891 0.105 19553 5338 1 15 . 1 1 113 113 SER C C 113 182.750 182.750 172.581 10.169 19553 5339 1 15 . 1 1 113 113 SER CA C 113 57.517 57.517 56.880 0.636 19553 5340 1 15 . 1 1 113 113 SER CB C 113 65.528 65.528 65.797 -0.269 19553 5341 1 15 . 1 1 113 113 SER H H 113 9.361 9.361 9.399 -0.038 19553 5342 1 15 . 1 1 114 114 LYS N N 114 123.657 123.657 125.697 -2.040 19553 5343 1 15 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.361 0.243 19553 5344 1 15 . 1 1 114 114 LYS C C 114 176.524 176.524 176.356 0.168 19553 5345 1 15 . 1 1 114 114 LYS CA C 114 54.862 54.862 55.070 -0.208 19553 5346 1 15 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.144 1.239 19553 5347 1 15 . 1 1 114 114 LYS H H 114 8.899 8.899 8.674 0.225 19553 5348 1 15 . 1 1 115 115 SER N N 115 119.515 119.515 124.997 -5.482 19553 5349 1 15 . 1 1 115 115 SER HA H 115 4.589 4.589 4.530 0.059 19553 5350 1 15 . 1 1 115 115 SER C C 115 178.064 178.064 174.862 3.202 19553 5351 1 15 . 1 1 115 115 SER CA C 115 56.468 56.468 58.543 -2.075 19553 5352 1 15 . 1 1 115 115 SER CB C 115 63.236 63.236 62.412 0.824 19553 5353 1 15 . 1 1 115 115 SER H H 115 8.560 8.560 9.123 -0.563 19553 5354 1 15 . 1 1 116 116 GLY N N 116 118.606 118.606 115.764 2.842 19553 5355 1 15 . 1 1 116 116 GLY C C 116 178.577 178.577 173.939 4.638 19553 5356 1 15 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.335 0.612 19553 5357 1 15 . 1 1 116 116 GLY H H 116 9.067 9.067 8.240 0.827 19553 5358 1 15 . 1 1 117 117 SER N N 117 121.443 121.443 118.784 2.659 19553 5359 1 15 . 1 1 117 117 SER HA H 117 4.310 4.310 4.492 -0.182 19553 5360 1 15 . 1 1 117 117 SER C C 117 180.107 180.107 173.673 6.434 19553 5361 1 15 . 1 1 117 117 SER CA C 117 58.416 58.416 57.652 0.764 19553 5362 1 15 . 1 1 117 117 SER CB C 117 63.758 63.758 64.291 -0.533 19553 5363 1 15 . 1 1 117 117 SER H H 117 8.908 8.908 8.136 0.772 19553 5364 1 15 . 1 1 118 118 LEU N N 118 123.028 123.028 124.574 -1.546 19553 5365 1 15 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.560 0.026 19553 5366 1 15 . 1 1 118 118 LEU C C 118 177.894 177.894 174.833 3.061 19553 5367 1 15 . 1 1 118 118 LEU CA C 118 54.117 54.117 53.700 0.417 19553 5368 1 15 . 1 1 118 118 LEU CB C 118 44.230 44.230 43.674 0.556 19553 5369 1 15 . 1 1 118 118 LEU H H 118 7.763 7.763 7.592 0.171 19553 5370 1 15 . 1 1 119 119 TRP N N 119 120.523 120.523 124.182 -3.659 19553 5371 1 15 . 1 1 119 119 TRP HA H 119 5.218 5.218 4.899 0.319 19553 5372 1 15 . 1 1 119 119 TRP C C 119 177.735 177.735 176.157 1.578 19553 5373 1 15 . 1 1 119 119 TRP CA C 119 56.441 56.441 57.098 -0.657 19553 5374 1 15 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.459 1.722 19553 5375 1 15 . 1 1 119 119 TRP H H 119 8.102 8.102 8.586 -0.484 19553 5376 1 15 . 1 1 120 120 TYR N N 120 119.365 119.365 123.141 -3.776 19553 5377 1 15 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.828 0.027 19553 5378 1 15 . 1 1 120 120 TYR C C 120 179.683 179.683 175.071 4.612 19553 5379 1 15 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.531 -1.104 19553 5380 1 15 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.677 0.111 19553 5381 1 15 . 1 1 120 120 TYR H H 120 9.495 9.495 9.504 -0.009 19553 5382 1 15 . 1 1 121 121 ILE N N 121 111.471 111.471 119.401 -7.930 19553 5383 1 15 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.551 0.144 19553 5384 1 15 . 1 1 121 121 ILE C C 121 177.137 177.137 175.479 1.658 19553 5385 1 15 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.435 -0.169 19553 5386 1 15 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.967 1.224 19553 5387 1 15 . 1 1 121 121 ILE H H 121 8.338 8.338 8.576 -0.238 19553 5388 1 15 . 1 1 122 122 THR N N 122 116.120 116.120 119.157 -3.037 19553 5389 1 15 . 1 1 122 122 THR HA H 122 4.493 4.493 4.509 -0.016 19553 5390 1 15 . 1 1 122 122 THR C C 122 180.251 180.251 172.360 7.891 19553 5391 1 15 . 1 1 122 122 THR CA C 122 61.437 61.437 61.969 -0.532 19553 5392 1 15 . 1 1 122 122 THR CB C 122 71.892 71.892 70.646 1.246 19553 5393 1 15 . 1 1 122 122 THR H H 122 7.796 7.796 8.447 -0.651 19553 5394 1 15 . 1 1 123 123 VAL N N 123 128.072 128.072 127.317 0.755 19553 5395 1 15 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.447 -0.175 19553 5396 1 15 . 1 1 123 123 VAL C C 123 178.576 178.576 174.515 4.061 19553 5397 1 15 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.418 1.540 19553 5398 1 15 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.747 -0.715 19553 5399 1 15 . 1 1 123 123 VAL H H 123 9.009 9.009 8.457 0.552 19553 5400 1 15 . 1 1 124 124 MET N N 124 127.234 127.234 128.946 -1.712 19553 5401 1 15 . 1 1 124 124 MET HA H 124 5.053 5.053 4.863 0.190 19553 5402 1 15 . 1 1 124 124 MET CA C 124 50.145 50.145 51.073 -0.928 19553 5403 1 15 . 1 1 124 124 MET CB C 124 33.625 33.625 33.312 0.312 19553 5404 1 15 . 1 1 124 124 MET H H 124 8.799 8.799 8.332 0.467 19553 5405 1 15 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.578 0.313 19553 5406 1 15 . 1 1 125 125 PRO C C 125 174.594 174.594 176.047 -1.453 19553 5407 1 15 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.343 -0.779 19553 5408 1 15 . 1 1 125 125 PRO CB C 125 31.310 31.310 31.991 -0.681 19553 5409 1 15 . 1 1 126 126 CYS N N 126 119.444 119.444 123.314 -3.870 19553 5410 1 15 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.753 0.378 19553 5411 1 15 . 1 1 126 126 CYS C C 126 177.425 177.425 174.631 2.794 19553 5412 1 15 . 1 1 126 126 CYS CA C 126 53.556 53.556 57.433 -3.877 19553 5413 1 15 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.938 9.339 19553 5414 1 15 . 1 1 126 126 CYS H H 126 8.355 8.355 8.867 -0.512 19553 5415 1 15 . 1 1 127 127 SER N N 127 117.888 117.888 116.754 1.134 19553 5416 1 15 . 1 1 127 127 SER HA H 127 4.382 4.382 4.436 -0.054 19553 5417 1 15 . 1 1 127 127 SER C C 127 178.499 178.499 174.409 4.090 19553 5418 1 15 . 1 1 127 127 SER CA C 127 59.179 59.179 58.794 0.385 19553 5419 1 15 . 1 1 127 127 SER CB C 127 63.503 63.503 63.461 0.042 19553 5420 1 15 . 1 1 127 127 SER H H 127 8.255 8.255 8.629 -0.374 19553 5421 1 15 . 1 1 128 128 ILE N N 128 125.176 125.176 123.508 1.668 19553 5422 1 15 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.622 0.366 19553 5423 1 15 . 1 1 128 128 ILE C C 128 176.825 176.825 177.664 -0.839 19553 5424 1 15 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.217 0.090 19553 5425 1 15 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.883 -0.258 19553 5426 1 15 . 1 1 128 128 ILE H H 128 8.727 8.727 8.386 0.341 19553 5427 1 15 . 1 1 129 129 GLY N N 129 114.581 114.581 114.460 0.121 19553 5428 1 15 . 1 1 129 129 GLY C C 129 178.928 178.928 174.260 4.668 19553 5429 1 15 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.241 -0.357 19553 5430 1 15 . 1 1 129 129 GLY H H 129 8.888 8.888 8.478 0.410 19553 5431 1 15 . 1 1 130 130 THR N N 130 110.279 110.279 112.794 -2.515 19553 5432 1 15 . 1 1 130 130 THR HA H 130 5.294 5.294 5.409 -0.115 19553 5433 1 15 . 1 1 130 130 THR C C 130 180.377 180.377 172.951 7.426 19553 5434 1 15 . 1 1 130 130 THR CA C 130 60.262 60.262 60.265 -0.003 19553 5435 1 15 . 1 1 130 130 THR CB C 130 72.701 72.701 72.310 0.391 19553 5436 1 15 . 1 1 130 130 THR H H 130 8.132 8.132 7.746 0.386 19553 5437 1 15 . 1 1 131 131 LYS N N 131 117.394 117.394 119.431 -2.037 19553 5438 1 15 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.226 -0.397 19553 5439 1 15 . 1 1 131 131 LYS C C 131 179.939 179.939 174.639 5.300 19553 5440 1 15 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.245 -0.192 19553 5441 1 15 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.191 -0.246 19553 5442 1 15 . 1 1 131 131 LYS H H 131 9.579 9.579 9.055 0.524 19553 5443 1 15 . 1 1 132 132 PHE N N 132 123.518 123.518 123.725 -0.207 19553 5444 1 15 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.946 -0.553 19553 5445 1 15 . 1 1 132 132 PHE C C 132 178.908 178.908 174.921 3.987 19553 5446 1 15 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.361 1.565 19553 5447 1 15 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.641 -1.346 19553 5448 1 15 . 1 1 132 132 PHE H H 132 9.347 9.347 8.547 0.800 19553 5449 1 15 . 1 1 133 133 ASP N N 133 130.494 130.494 127.775 2.719 19553 5450 1 15 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.960 0.016 19553 5451 1 15 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.730 -0.879 19553 5452 1 15 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.355 0.061 19553 5453 1 15 . 1 1 133 133 ASP H H 133 8.091 8.091 8.347 -0.256 19553 5454 1 15 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.471 -0.394 19553 5455 1 15 . 1 1 134 134 PRO C C 134 176.646 176.646 177.110 -0.464 19553 5456 1 15 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.874 -1.238 19553 5457 1 15 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.475 0.325 19553 5458 1 15 . 1 1 135 135 ILE N N 135 118.026 118.026 116.869 1.157 19553 5459 1 15 . 1 1 135 135 ILE HA H 135 3.900 3.900 3.964 -0.064 19553 5460 1 15 . 1 1 135 135 ILE C C 135 175.842 175.842 176.908 -1.066 19553 5461 1 15 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.710 0.680 19553 5462 1 15 . 1 1 135 135 ILE CB C 135 35.916 35.916 38.224 -2.308 19553 5463 1 15 . 1 1 135 135 ILE H H 135 7.844 7.844 7.537 0.307 19553 5464 1 15 . 1 1 136 136 SER N N 136 113.845 113.845 113.888 -0.043 19553 5465 1 15 . 1 1 136 136 SER HA H 136 4.144 4.144 4.237 -0.093 19553 5466 1 15 . 1 1 136 136 SER C C 136 178.752 178.752 174.295 4.457 19553 5467 1 15 . 1 1 136 136 SER CA C 136 59.461 59.461 60.040 -0.579 19553 5468 1 15 . 1 1 136 136 SER CB C 136 63.840 63.840 63.793 0.047 19553 5469 1 15 . 1 1 136 136 SER H H 136 7.779 7.779 8.918 -1.139 19553 5470 1 15 . 1 1 137 137 ARG N N 137 116.720 116.720 116.597 0.123 19553 5471 1 15 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.585 -0.354 19553 5472 1 15 . 1 1 137 137 ARG C C 137 180.002 180.002 174.025 5.977 19553 5473 1 15 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.148 0.962 19553 5474 1 15 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.320 -1.117 19553 5475 1 15 . 1 1 137 137 ARG H H 137 7.935 7.935 7.787 0.148 19553 5476 1 15 . 1 1 138 138 ASN N N 138 113.845 113.845 113.523 0.322 19553 5477 1 15 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.594 0.107 19553 5478 1 15 . 1 1 138 138 ASN C C 138 179.580 179.580 172.519 7.061 19553 5479 1 15 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.629 -0.817 19553 5480 1 15 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.907 0.838 19553 5481 1 15 . 1 1 138 138 ASN H H 138 6.857 6.857 6.955 -0.098 19553 5482 1 15 . 1 1 139 139 CYS N N 139 120.168 120.168 119.839 0.329 19553 5483 1 15 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.385 -0.165 19553 5484 1 15 . 1 1 139 139 CYS C C 139 178.616 178.616 175.275 3.341 19553 5485 1 15 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.011 -1.823 19553 5486 1 15 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.530 13.278 19553 5487 1 15 . 1 1 139 139 CYS H H 139 8.519 8.519 8.500 0.019 19553 5488 1 15 . 1 1 140 140 VAL N N 140 119.928 119.928 120.359 -0.431 19553 5489 1 15 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.629 0.038 19553 5490 1 15 . 1 1 140 140 VAL C C 140 178.299 178.299 174.918 3.381 19553 5491 1 15 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.458 -0.320 19553 5492 1 15 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.364 1.038 19553 5493 1 15 . 1 1 140 140 VAL H H 140 9.531 9.531 9.219 0.312 19553 5494 1 15 . 1 1 141 141 LEU N N 141 121.749 121.749 123.083 -1.334 19553 5495 1 15 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.185 -0.176 19553 5496 1 15 . 1 1 141 141 LEU C C 141 176.847 176.847 175.944 0.903 19553 5497 1 15 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.973 0.869 19553 5498 1 15 . 1 1 141 141 LEU CB C 141 42.202 42.202 40.952 1.250 19553 5499 1 15 . 1 1 141 141 LEU H H 141 8.363 8.363 8.529 -0.166 19553 5500 1 15 . 1 1 142 142 ASP N N 142 123.416 123.416 128.226 -4.810 19553 5501 1 15 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.693 -0.066 19553 5502 1 15 . 1 1 142 142 ASP C C 142 179.175 179.175 175.221 3.954 19553 5503 1 15 . 1 1 142 142 ASP CA C 142 53.044 53.044 53.623 -0.579 19553 5504 1 15 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.397 -0.656 19553 5505 1 15 . 1 1 142 142 ASP H H 142 8.271 8.271 8.450 -0.179 19553 5506 1 16 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.360 0.161 19553 5507 1 16 . 1 1 76 76 PRO C C 76 176.427 176.427 177.155 -0.728 19553 5508 1 16 . 1 1 76 76 PRO CA C 76 63.057 63.057 63.956 -0.899 19553 5509 1 16 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.119 0.242 19553 5510 1 16 . 1 1 77 77 LEU N N 77 122.647 122.647 118.762 3.885 19553 5511 1 16 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.285 0.144 19553 5512 1 16 . 1 1 77 77 LEU C C 77 175.532 175.532 176.999 -1.467 19553 5513 1 16 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.447 1.203 19553 5514 1 16 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.972 -0.631 19553 5515 1 16 . 1 1 77 77 LEU H H 77 8.571 8.571 7.479 1.092 19553 5516 1 16 . 1 1 78 78 GLY N N 78 110.072 110.072 105.912 4.160 19553 5517 1 16 . 1 1 78 78 GLY C C 78 179.395 179.395 174.749 4.646 19553 5518 1 16 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.153 0.117 19553 5519 1 16 . 1 1 78 78 GLY H H 78 8.483 8.483 8.607 -0.124 19553 5520 1 16 . 1 1 79 79 SER N N 79 115.122 115.122 115.473 -0.351 19553 5521 1 16 . 1 1 79 79 SER HA H 79 4.549 4.549 3.978 0.571 19553 5522 1 16 . 1 1 79 79 SER C C 79 179.859 179.859 173.478 6.381 19553 5523 1 16 . 1 1 79 79 SER CA C 79 58.151 58.151 60.364 -2.213 19553 5524 1 16 . 1 1 79 79 SER CB C 79 64.330 64.330 63.708 0.622 19553 5525 1 16 . 1 1 79 79 SER H H 79 8.151 8.151 8.464 -0.313 19553 5526 1 16 . 1 1 80 80 ASP N N 80 122.779 122.779 116.363 6.416 19553 5527 1 16 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.324 -0.571 19553 5528 1 16 . 1 1 80 80 ASP C C 80 178.137 178.137 174.180 3.957 19553 5529 1 16 . 1 1 80 80 ASP CA C 80 54.028 54.028 52.676 1.352 19553 5530 1 16 . 1 1 80 80 ASP CB C 80 41.202 41.202 44.710 -3.508 19553 5531 1 16 . 1 1 80 80 ASP H H 80 8.294 8.294 7.372 0.922 19553 5532 1 16 . 1 1 81 81 LEU N N 81 125.106 125.106 122.833 2.273 19553 5533 1 16 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.820 -0.337 19553 5534 1 16 . 1 1 81 81 LEU C C 81 178.326 178.326 174.665 3.661 19553 5535 1 16 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.815 0.295 19553 5536 1 16 . 1 1 81 81 LEU CB C 81 42.090 42.090 46.205 -4.115 19553 5537 1 16 . 1 1 81 81 LEU H H 81 8.532 8.532 8.770 -0.237 19553 5538 1 16 . 1 1 82 82 ILE N N 82 120.036 120.036 125.079 -5.043 19553 5539 1 16 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.720 0.100 19553 5540 1 16 . 1 1 82 82 ILE C C 82 177.782 177.782 175.752 2.030 19553 5541 1 16 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.534 -1.360 19553 5542 1 16 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.053 1.866 19553 5543 1 16 . 1 1 82 82 ILE H H 82 7.848 7.848 8.335 -0.487 19553 5544 1 16 . 1 1 83 83 VAL N N 83 119.733 119.733 121.815 -2.082 19553 5545 1 16 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.758 -0.328 19553 5546 1 16 . 1 1 83 83 VAL C C 83 179.809 179.809 174.143 5.666 19553 5547 1 16 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.289 0.164 19553 5548 1 16 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.782 -0.630 19553 5549 1 16 . 1 1 83 83 VAL H H 83 8.511 8.511 8.862 -0.351 19553 5550 1 16 . 1 1 84 84 HIS N N 84 122.907 122.907 120.067 2.840 19553 5551 1 16 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.414 0.146 19553 5552 1 16 . 1 1 84 84 HIS C C 84 178.593 178.593 174.658 3.935 19553 5553 1 16 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.266 -0.689 19553 5554 1 16 . 1 1 84 84 HIS CB C 84 30.967 30.967 30.543 0.424 19553 5555 1 16 . 1 1 84 84 HIS H H 84 8.908 8.908 8.556 0.352 19553 5556 1 16 . 1 1 85 85 GLU N N 85 124.766 124.766 124.653 0.113 19553 5557 1 16 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.639 0.127 19553 5558 1 16 . 1 1 85 85 GLU C C 85 176.641 176.641 177.133 -0.492 19553 5559 1 16 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.815 1.557 19553 5560 1 16 . 1 1 85 85 GLU CB C 85 32.921 32.921 30.564 2.357 19553 5561 1 16 . 1 1 85 85 GLU H H 85 8.979 8.979 9.162 -0.183 19553 5562 1 16 . 1 1 86 86 GLY N N 86 119.987 119.987 114.745 5.242 19553 5563 1 16 . 1 1 86 86 GLY C C 86 178.249 178.249 174.746 3.503 19553 5564 1 16 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.514 1.762 19553 5565 1 16 . 1 1 86 86 GLY H H 86 9.540 9.540 9.121 0.419 19553 5566 1 16 . 1 1 87 87 GLY N N 87 108.242 108.242 105.061 3.181 19553 5567 1 16 . 1 1 87 87 GLY C C 87 179.578 179.578 174.777 4.801 19553 5568 1 16 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.206 -0.265 19553 5569 1 16 . 1 1 87 87 GLY H H 87 8.920 8.920 8.622 0.298 19553 5570 1 16 . 1 1 88 88 LYS N N 88 121.010 121.010 122.522 -1.512 19553 5571 1 16 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.596 0.022 19553 5572 1 16 . 1 1 88 88 LYS C C 88 178.241 178.241 175.626 2.615 19553 5573 1 16 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.070 0.847 19553 5574 1 16 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.888 1.264 19553 5575 1 16 . 1 1 88 88 LYS H H 88 7.858 7.858 7.727 0.131 19553 5576 1 16 . 1 1 89 89 THR N N 89 117.172 117.172 117.205 -0.033 19553 5577 1 16 . 1 1 89 89 THR HA H 89 4.691 4.691 4.972 -0.281 19553 5578 1 16 . 1 1 89 89 THR C C 89 180.192 180.192 174.058 6.134 19553 5579 1 16 . 1 1 89 89 THR CA C 89 61.646 61.646 61.517 0.129 19553 5580 1 16 . 1 1 89 89 THR CB C 89 70.339 70.339 68.950 1.389 19553 5581 1 16 . 1 1 89 89 THR H H 89 8.230 8.230 8.263 -0.033 19553 5582 1 16 . 1 1 90 90 TYR N N 90 123.521 123.521 125.756 -2.235 19553 5583 1 16 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.799 -0.120 19553 5584 1 16 . 1 1 90 90 TYR C C 90 179.282 179.282 174.931 4.351 19553 5585 1 16 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.677 -0.270 19553 5586 1 16 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.251 -1.278 19553 5587 1 16 . 1 1 90 90 TYR H H 90 8.927 8.927 8.682 0.245 19553 5588 1 16 . 1 1 91 91 HIS N N 91 120.999 120.999 121.291 -0.292 19553 5589 1 16 . 1 1 91 91 HIS HA H 91 5.086 5.086 4.718 0.368 19553 5590 1 16 . 1 1 91 91 HIS C C 91 178.719 178.719 174.695 4.024 19553 5591 1 16 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.847 -0.864 19553 5592 1 16 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.402 -1.910 19553 5593 1 16 . 1 1 91 91 HIS H H 91 8.987 8.987 8.771 0.216 19553 5594 1 16 . 1 1 92 92 VAL N N 92 120.849 120.849 124.706 -3.857 19553 5595 1 16 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.228 0.172 19553 5596 1 16 . 1 1 92 92 VAL C C 92 180.110 180.110 173.953 6.157 19553 5597 1 16 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.581 -1.421 19553 5598 1 16 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.348 1.195 19553 5599 1 16 . 1 1 92 92 VAL H H 92 8.677 8.677 8.992 -0.315 19553 5600 1 16 . 1 1 93 93 VAL N N 93 121.626 121.626 126.336 -4.710 19553 5601 1 16 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.565 -0.384 19553 5602 1 16 . 1 1 93 93 VAL C C 93 178.555 178.555 175.428 3.127 19553 5603 1 16 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.043 0.504 19553 5604 1 16 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.117 0.159 19553 5605 1 16 . 1 1 93 93 VAL H H 93 7.997 7.997 8.279 -0.282 19553 5606 1 16 . 1 1 94 94 CYS N N 94 123.035 123.035 125.678 -2.643 19553 5607 1 16 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.513 -0.120 19553 5608 1 16 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.153 -4.662 19553 5609 1 16 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.727 14.765 19553 5610 1 16 . 1 1 94 94 CYS H H 94 7.890 7.890 7.984 -0.094 19553 5611 1 16 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.498 -0.065 19553 5612 1 16 . 1 1 95 95 HIS C C 95 179.991 179.991 174.983 5.008 19553 5613 1 16 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.908 -1.497 19553 5614 1 16 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.459 0.816 19553 5615 1 16 . 1 1 96 96 GLU N N 96 117.019 117.019 118.492 -1.473 19553 5616 1 16 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.699 0.142 19553 5617 1 16 . 1 1 96 96 GLU C C 96 178.360 178.360 175.063 3.297 19553 5618 1 16 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.335 -0.895 19553 5619 1 16 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.797 -0.292 19553 5620 1 16 . 1 1 96 96 GLU H H 96 7.623 7.623 7.766 -0.143 19553 5621 1 16 . 1 1 97 97 GLU N N 97 121.779 121.779 120.605 1.174 19553 5622 1 16 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.702 -0.259 19553 5623 1 16 . 1 1 97 97 GLU C C 97 176.658 176.658 175.823 0.835 19553 5624 1 16 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.303 1.629 19553 5625 1 16 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.290 0.361 19553 5626 1 16 . 1 1 97 97 GLU H H 97 9.280 9.280 8.802 0.478 19553 5627 1 16 . 1 1 98 98 GLY N N 98 109.900 109.900 111.335 -1.435 19553 5628 1 16 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.846 -0.570 19553 5629 1 16 . 1 1 98 98 GLY H H 98 8.745 8.745 7.918 0.827 19553 5630 1 16 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.657 0.012 19553 5631 1 16 . 1 1 99 99 PRO C C 99 176.795 176.795 175.842 0.953 19553 5632 1 16 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.226 0.345 19553 5633 1 16 . 1 1 99 99 PRO CB C 99 33.687 33.687 33.025 0.662 19553 5634 1 16 . 1 1 100 100 ILE N N 100 118.686 118.686 118.127 0.559 19553 5635 1 16 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.126 -0.219 19553 5636 1 16 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.096 2.110 19553 5637 1 16 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.318 0.786 19553 5638 1 16 . 1 1 100 100 ILE H H 100 9.748 9.748 8.847 0.901 19553 5639 1 16 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.680 -0.549 19553 5640 1 16 . 1 1 101 101 PRO C C 101 177.525 177.525 176.414 1.111 19553 5641 1 16 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.988 0.095 19553 5642 1 16 . 1 1 101 101 PRO CB C 101 31.670 31.670 33.008 -1.338 19553 5643 1 16 . 1 1 102 102 HIS N N 102 123.222 123.222 119.334 3.888 19553 5644 1 16 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.762 -0.174 19553 5645 1 16 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.148 -1.584 19553 5646 1 16 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.307 -0.437 19553 5647 1 16 . 1 1 102 102 HIS H H 102 8.717 8.717 8.576 0.141 19553 5648 1 16 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.266 0.015 19553 5649 1 16 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.485 -1.010 19553 5650 1 16 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.861 0.125 19553 5651 1 16 . 1 1 104 104 GLY N N 104 106.530 106.530 105.521 1.009 19553 5652 1 16 . 1 1 104 104 GLY C C 104 180.058 180.058 173.251 6.807 19553 5653 1 16 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.179 0.532 19553 5654 1 16 . 1 1 104 104 GLY H H 104 9.682 9.682 7.764 1.918 19553 5655 1 16 . 1 1 105 105 ASN N N 105 118.099 118.099 117.555 0.544 19553 5656 1 16 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.693 -0.017 19553 5657 1 16 . 1 1 105 105 ASN C C 105 178.082 178.082 175.600 2.482 19553 5658 1 16 . 1 1 105 105 ASN CA C 105 53.234 53.234 52.260 0.974 19553 5659 1 16 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.087 0.086 19553 5660 1 16 . 1 1 105 105 ASN H H 105 6.870 6.870 7.715 -0.845 19553 5661 1 16 . 1 1 106 106 VAL N N 106 123.752 123.752 117.715 6.037 19553 5662 1 16 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.817 0.762 19553 5663 1 16 . 1 1 106 106 VAL C C 106 178.463 178.463 176.378 2.085 19553 5664 1 16 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.717 -1.404 19553 5665 1 16 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.219 0.393 19553 5666 1 16 . 1 1 106 106 VAL H H 106 8.774 8.774 8.404 0.370 19553 5667 1 16 . 1 1 107 107 HIS N N 107 116.712 116.712 118.063 -1.351 19553 5668 1 16 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.835 -0.245 19553 5669 1 16 . 1 1 107 107 HIS C C 107 180.421 180.421 175.105 5.316 19553 5670 1 16 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.026 -0.377 19553 5671 1 16 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.151 -1.397 19553 5672 1 16 . 1 1 107 107 HIS H H 107 9.171 9.171 8.185 0.986 19553 5673 1 16 . 1 1 108 108 LYS N N 108 119.379 119.379 117.288 2.091 19553 5674 1 16 . 1 1 108 108 LYS HA H 108 5.118 5.118 5.055 0.063 19553 5675 1 16 . 1 1 108 108 LYS C C 108 181.487 181.487 174.603 6.884 19553 5676 1 16 . 1 1 108 108 LYS CA C 108 54.558 54.558 54.989 -0.431 19553 5677 1 16 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.857 2.492 19553 5678 1 16 . 1 1 108 108 LYS H H 108 7.627 7.627 7.771 -0.144 19553 5679 1 16 . 1 1 109 109 TYR N N 109 114.203 114.203 117.432 -3.229 19553 5680 1 16 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.975 -0.398 19553 5681 1 16 . 1 1 109 109 TYR C C 109 181.588 181.588 172.709 8.879 19553 5682 1 16 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.904 0.463 19553 5683 1 16 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.192 -3.397 19553 5684 1 16 . 1 1 109 109 TYR H H 109 9.006 9.006 8.980 0.026 19553 5685 1 16 . 1 1 110 110 ILE N N 110 119.840 119.840 118.374 1.466 19553 5686 1 16 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.820 -0.135 19553 5687 1 16 . 1 1 110 110 ILE C C 110 178.917 178.917 174.988 3.929 19553 5688 1 16 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.273 -0.033 19553 5689 1 16 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.475 -0.245 19553 5690 1 16 . 1 1 110 110 ILE H H 110 8.764 8.764 9.109 -0.345 19553 5691 1 16 . 1 1 111 111 ILE N N 111 124.346 124.346 126.058 -1.712 19553 5692 1 16 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.394 -0.062 19553 5693 1 16 . 1 1 111 111 ILE C C 111 175.896 175.896 174.984 0.912 19553 5694 1 16 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.129 0.572 19553 5695 1 16 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.206 1.306 19553 5696 1 16 . 1 1 111 111 ILE H H 111 9.032 9.032 8.680 0.352 19553 5697 1 16 . 1 1 112 112 CYS N N 112 128.772 128.772 129.388 -0.616 19553 5698 1 16 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.915 0.166 19553 5699 1 16 . 1 1 112 112 CYS C C 112 178.268 178.268 174.444 3.824 19553 5700 1 16 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.276 -1.034 19553 5701 1 16 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.145 16.810 19553 5702 1 16 . 1 1 112 112 CYS H H 112 8.517 8.517 8.590 -0.073 19553 5703 1 16 . 1 1 113 113 SER N N 113 120.988 120.988 119.482 1.506 19553 5704 1 16 . 1 1 113 113 SER HA H 113 4.996 4.996 4.752 0.244 19553 5705 1 16 . 1 1 113 113 SER C C 113 182.750 182.750 172.674 10.076 19553 5706 1 16 . 1 1 113 113 SER CA C 113 57.517 57.517 56.720 0.797 19553 5707 1 16 . 1 1 113 113 SER CB C 113 65.528 65.528 65.953 -0.425 19553 5708 1 16 . 1 1 113 113 SER H H 113 9.361 9.361 9.288 0.073 19553 5709 1 16 . 1 1 114 114 LYS N N 114 123.657 123.657 123.797 -0.140 19553 5710 1 16 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.030 0.574 19553 5711 1 16 . 1 1 114 114 LYS C C 114 176.524 176.524 176.105 0.419 19553 5712 1 16 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.841 0.021 19553 5713 1 16 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.520 0.863 19553 5714 1 16 . 1 1 114 114 LYS H H 114 8.899 8.899 8.568 0.331 19553 5715 1 16 . 1 1 115 115 SER N N 115 119.515 119.515 124.307 -4.792 19553 5716 1 16 . 1 1 115 115 SER HA H 115 4.589 4.589 4.735 -0.146 19553 5717 1 16 . 1 1 115 115 SER C C 115 178.064 178.064 174.803 3.261 19553 5718 1 16 . 1 1 115 115 SER CA C 115 56.468 56.468 57.529 -1.060 19553 5719 1 16 . 1 1 115 115 SER CB C 115 63.236 63.236 62.491 0.745 19553 5720 1 16 . 1 1 115 115 SER H H 115 8.560 8.560 8.975 -0.415 19553 5721 1 16 . 1 1 116 116 GLY N N 116 118.606 118.606 116.870 1.736 19553 5722 1 16 . 1 1 116 116 GLY C C 116 178.577 178.577 174.821 3.756 19553 5723 1 16 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.849 0.098 19553 5724 1 16 . 1 1 116 116 GLY H H 116 9.067 9.067 8.203 0.864 19553 5725 1 16 . 1 1 117 117 SER N N 117 121.443 121.443 119.052 2.391 19553 5726 1 16 . 1 1 117 117 SER HA H 117 4.310 4.310 4.679 -0.369 19553 5727 1 16 . 1 1 117 117 SER C C 117 180.107 180.107 173.440 6.667 19553 5728 1 16 . 1 1 117 117 SER CA C 117 58.416 58.416 58.162 0.254 19553 5729 1 16 . 1 1 117 117 SER CB C 117 63.758 63.758 64.328 -0.570 19553 5730 1 16 . 1 1 117 117 SER H H 117 8.908 8.908 8.389 0.519 19553 5731 1 16 . 1 1 118 118 LEU N N 118 123.028 123.028 123.380 -0.352 19553 5732 1 16 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.681 -0.095 19553 5733 1 16 . 1 1 118 118 LEU C C 118 177.894 177.894 174.391 3.503 19553 5734 1 16 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.130 -0.013 19553 5735 1 16 . 1 1 118 118 LEU CB C 118 44.230 44.230 45.263 -1.033 19553 5736 1 16 . 1 1 118 118 LEU H H 118 7.763 7.763 7.784 -0.021 19553 5737 1 16 . 1 1 119 119 TRP N N 119 120.523 120.523 123.727 -3.204 19553 5738 1 16 . 1 1 119 119 TRP HA H 119 5.218 5.218 4.993 0.225 19553 5739 1 16 . 1 1 119 119 TRP C C 119 177.735 177.735 175.492 2.243 19553 5740 1 16 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.819 -0.378 19553 5741 1 16 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.863 1.318 19553 5742 1 16 . 1 1 119 119 TRP H H 119 8.102 8.102 8.546 -0.444 19553 5743 1 16 . 1 1 120 120 TYR N N 120 119.365 119.365 121.599 -2.234 19553 5744 1 16 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.855 0.000 19553 5745 1 16 . 1 1 120 120 TYR C C 120 179.683 179.683 174.616 5.067 19553 5746 1 16 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.386 -0.959 19553 5747 1 16 . 1 1 120 120 TYR CB C 120 40.788 40.788 41.257 -0.469 19553 5748 1 16 . 1 1 120 120 TYR H H 120 9.495 9.495 9.401 0.094 19553 5749 1 16 . 1 1 121 121 ILE N N 121 111.471 111.471 119.587 -8.116 19553 5750 1 16 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.493 0.202 19553 5751 1 16 . 1 1 121 121 ILE C C 121 177.137 177.137 175.156 1.981 19553 5752 1 16 . 1 1 121 121 ILE CA C 121 58.266 58.266 59.086 -0.820 19553 5753 1 16 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.646 1.545 19553 5754 1 16 . 1 1 121 121 ILE H H 121 8.338 8.338 8.463 -0.125 19553 5755 1 16 . 1 1 122 122 THR N N 122 116.120 116.120 120.863 -4.743 19553 5756 1 16 . 1 1 122 122 THR HA H 122 4.493 4.493 4.673 -0.180 19553 5757 1 16 . 1 1 122 122 THR C C 122 180.251 180.251 172.745 7.506 19553 5758 1 16 . 1 1 122 122 THR CA C 122 61.437 61.437 61.613 -0.176 19553 5759 1 16 . 1 1 122 122 THR CB C 122 71.892 71.892 71.448 0.444 19553 5760 1 16 . 1 1 122 122 THR H H 122 7.796 7.796 8.434 -0.638 19553 5761 1 16 . 1 1 123 123 VAL N N 123 128.072 128.072 127.019 1.053 19553 5762 1 16 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.617 -0.345 19553 5763 1 16 . 1 1 123 123 VAL C C 123 178.576 178.576 174.818 3.758 19553 5764 1 16 . 1 1 123 123 VAL CA C 123 62.958 62.958 60.850 2.108 19553 5765 1 16 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.517 -0.485 19553 5766 1 16 . 1 1 123 123 VAL H H 123 9.009 9.009 8.591 0.418 19553 5767 1 16 . 1 1 124 124 MET N N 124 127.234 127.234 128.401 -1.167 19553 5768 1 16 . 1 1 124 124 MET HA H 124 5.053 5.053 4.876 0.177 19553 5769 1 16 . 1 1 124 124 MET CA C 124 50.145 50.145 50.880 -0.735 19553 5770 1 16 . 1 1 124 124 MET CB C 124 33.625 33.625 33.017 0.608 19553 5771 1 16 . 1 1 124 124 MET H H 124 8.799 8.799 8.461 0.338 19553 5772 1 16 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.710 0.181 19553 5773 1 16 . 1 1 125 125 PRO C C 125 174.594 174.594 176.104 -1.510 19553 5774 1 16 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.395 -0.831 19553 5775 1 16 . 1 1 125 125 PRO CB C 125 31.310 31.310 31.700 -0.390 19553 5776 1 16 . 1 1 126 126 CYS N N 126 119.444 119.444 123.925 -4.481 19553 5777 1 16 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.713 0.418 19553 5778 1 16 . 1 1 126 126 CYS C C 126 177.425 177.425 174.899 2.526 19553 5779 1 16 . 1 1 126 126 CYS CA C 126 53.556 53.556 57.719 -4.163 19553 5780 1 16 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.646 9.630 19553 5781 1 16 . 1 1 126 126 CYS H H 126 8.355 8.355 8.780 -0.425 19553 5782 1 16 . 1 1 127 127 SER N N 127 117.888 117.888 116.804 1.084 19553 5783 1 16 . 1 1 127 127 SER HA H 127 4.382 4.382 4.442 -0.060 19553 5784 1 16 . 1 1 127 127 SER C C 127 178.499 178.499 174.364 4.135 19553 5785 1 16 . 1 1 127 127 SER CA C 127 59.179 59.179 58.648 0.531 19553 5786 1 16 . 1 1 127 127 SER CB C 127 63.503 63.503 63.642 -0.139 19553 5787 1 16 . 1 1 127 127 SER H H 127 8.255 8.255 8.512 -0.257 19553 5788 1 16 . 1 1 128 128 ILE N N 128 125.176 125.176 122.801 2.375 19553 5789 1 16 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.755 0.233 19553 5790 1 16 . 1 1 128 128 ILE C C 128 176.825 176.825 177.596 -0.771 19553 5791 1 16 . 1 1 128 128 ILE CA C 128 63.307 63.307 62.966 0.341 19553 5792 1 16 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.766 -0.141 19553 5793 1 16 . 1 1 128 128 ILE H H 128 8.727 8.727 8.444 0.283 19553 5794 1 16 . 1 1 129 129 GLY N N 129 114.581 114.581 114.963 -0.382 19553 5795 1 16 . 1 1 129 129 GLY C C 129 178.928 178.928 174.303 4.625 19553 5796 1 16 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.296 -0.412 19553 5797 1 16 . 1 1 129 129 GLY H H 129 8.888 8.888 8.793 0.095 19553 5798 1 16 . 1 1 130 130 THR N N 130 110.279 110.279 112.511 -2.232 19553 5799 1 16 . 1 1 130 130 THR HA H 130 5.294 5.294 5.430 -0.136 19553 5800 1 16 . 1 1 130 130 THR C C 130 180.377 180.377 173.067 7.310 19553 5801 1 16 . 1 1 130 130 THR CA C 130 60.262 60.262 60.000 0.262 19553 5802 1 16 . 1 1 130 130 THR CB C 130 72.701 72.701 72.114 0.587 19553 5803 1 16 . 1 1 130 130 THR H H 130 8.132 8.132 7.709 0.423 19553 5804 1 16 . 1 1 131 131 LYS N N 131 117.394 117.394 119.017 -1.623 19553 5805 1 16 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.191 -0.362 19553 5806 1 16 . 1 1 131 131 LYS C C 131 179.939 179.939 174.386 5.553 19553 5807 1 16 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.311 -0.258 19553 5808 1 16 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.364 -0.418 19553 5809 1 16 . 1 1 131 131 LYS H H 131 9.579 9.579 9.089 0.490 19553 5810 1 16 . 1 1 132 132 PHE N N 132 123.518 123.518 122.773 0.745 19553 5811 1 16 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.990 -0.597 19553 5812 1 16 . 1 1 132 132 PHE C C 132 178.908 178.908 175.061 3.847 19553 5813 1 16 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.369 1.557 19553 5814 1 16 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.832 -1.537 19553 5815 1 16 . 1 1 132 132 PHE H H 132 9.347 9.347 8.675 0.672 19553 5816 1 16 . 1 1 133 133 ASP N N 133 130.494 130.494 127.068 3.426 19553 5817 1 16 . 1 1 133 133 ASP HA H 133 4.976 4.976 5.015 -0.039 19553 5818 1 16 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.590 -0.739 19553 5819 1 16 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.434 -0.018 19553 5820 1 16 . 1 1 133 133 ASP H H 133 8.091 8.091 8.323 -0.232 19553 5821 1 16 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.518 -0.441 19553 5822 1 16 . 1 1 134 134 PRO C C 134 176.646 176.646 177.726 -1.080 19553 5823 1 16 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.828 -1.192 19553 5824 1 16 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.574 0.226 19553 5825 1 16 . 1 1 135 135 ILE N N 135 118.026 118.026 118.861 -0.835 19553 5826 1 16 . 1 1 135 135 ILE HA H 135 3.900 3.900 3.922 -0.022 19553 5827 1 16 . 1 1 135 135 ILE C C 135 175.842 175.842 178.177 -2.335 19553 5828 1 16 . 1 1 135 135 ILE CA C 135 63.390 63.390 63.120 0.270 19553 5829 1 16 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.876 -1.960 19553 5830 1 16 . 1 1 135 135 ILE H H 135 7.844 7.844 7.793 0.051 19553 5831 1 16 . 1 1 136 136 SER N N 136 113.845 113.845 115.041 -1.196 19553 5832 1 16 . 1 1 136 136 SER HA H 136 4.144 4.144 4.314 -0.170 19553 5833 1 16 . 1 1 136 136 SER C C 136 178.752 178.752 174.001 4.751 19553 5834 1 16 . 1 1 136 136 SER CA C 136 59.461 59.461 59.691 -0.231 19553 5835 1 16 . 1 1 136 136 SER CB C 136 63.840 63.840 63.771 0.069 19553 5836 1 16 . 1 1 136 136 SER H H 136 7.779 7.779 8.831 -1.052 19553 5837 1 16 . 1 1 137 137 ARG N N 137 116.720 116.720 116.531 0.189 19553 5838 1 16 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.690 -0.459 19553 5839 1 16 . 1 1 137 137 ARG C C 137 180.002 180.002 173.986 6.016 19553 5840 1 16 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.259 0.851 19553 5841 1 16 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.506 -1.303 19553 5842 1 16 . 1 1 137 137 ARG H H 137 7.935 7.935 7.711 0.224 19553 5843 1 16 . 1 1 138 138 ASN N N 138 113.845 113.845 113.507 0.338 19553 5844 1 16 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.563 0.138 19553 5845 1 16 . 1 1 138 138 ASN C C 138 179.580 179.580 172.522 7.058 19553 5846 1 16 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.202 -0.390 19553 5847 1 16 . 1 1 138 138 ASN CB C 138 41.745 41.745 41.141 0.604 19553 5848 1 16 . 1 1 138 138 ASN H H 138 6.857 6.857 7.004 -0.147 19553 5849 1 16 . 1 1 139 139 CYS N N 139 120.168 120.168 119.711 0.457 19553 5850 1 16 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.399 -0.179 19553 5851 1 16 . 1 1 139 139 CYS C C 139 178.616 178.616 175.274 3.342 19553 5852 1 16 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.005 -1.817 19553 5853 1 16 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.608 13.200 19553 5854 1 16 . 1 1 139 139 CYS H H 139 8.519 8.519 8.467 0.052 19553 5855 1 16 . 1 1 140 140 VAL N N 140 119.928 119.928 120.386 -0.458 19553 5856 1 16 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.611 0.056 19553 5857 1 16 . 1 1 140 140 VAL C C 140 178.299 178.299 174.903 3.396 19553 5858 1 16 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.463 -0.325 19553 5859 1 16 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.326 1.076 19553 5860 1 16 . 1 1 140 140 VAL H H 140 9.531 9.531 9.241 0.290 19553 5861 1 16 . 1 1 141 141 LEU N N 141 121.749 121.749 123.128 -1.379 19553 5862 1 16 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.330 -0.321 19553 5863 1 16 . 1 1 141 141 LEU C C 141 176.847 176.847 176.224 0.623 19553 5864 1 16 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.674 1.168 19553 5865 1 16 . 1 1 141 141 LEU CB C 141 42.202 42.202 40.784 1.418 19553 5866 1 16 . 1 1 141 141 LEU H H 141 8.363 8.363 8.579 -0.216 19553 5867 1 16 . 1 1 142 142 ASP N N 142 123.416 123.416 128.773 -5.357 19553 5868 1 16 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.638 -0.011 19553 5869 1 16 . 1 1 142 142 ASP C C 142 179.175 179.175 174.732 4.443 19553 5870 1 16 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.763 -1.719 19553 5871 1 16 . 1 1 142 142 ASP CB C 142 40.741 40.741 40.877 -0.136 19553 5872 1 16 . 1 1 142 142 ASP H H 142 8.271 8.271 8.755 -0.484 19553 5873 1 17 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.558 -0.037 19553 5874 1 17 . 1 1 76 76 PRO C C 76 176.427 176.427 176.383 0.044 19553 5875 1 17 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.792 0.265 19553 5876 1 17 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.208 0.153 19553 5877 1 17 . 1 1 77 77 LEU N N 77 122.647 122.647 124.227 -1.580 19553 5878 1 17 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.425 0.004 19553 5879 1 17 . 1 1 77 77 LEU C C 77 175.532 175.532 178.040 -2.508 19553 5880 1 17 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.980 0.670 19553 5881 1 17 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.620 -0.279 19553 5882 1 17 . 1 1 77 77 LEU H H 77 8.571 8.571 8.270 0.301 19553 5883 1 17 . 1 1 78 78 GLY N N 78 110.072 110.072 108.320 1.752 19553 5884 1 17 . 1 1 78 78 GLY C C 78 179.395 179.395 176.023 3.372 19553 5885 1 17 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.355 -0.085 19553 5886 1 17 . 1 1 78 78 GLY H H 78 8.483 8.483 8.433 0.050 19553 5887 1 17 . 1 1 79 79 SER N N 79 115.122 115.122 116.781 -1.659 19553 5888 1 17 . 1 1 79 79 SER HA H 79 4.549 4.549 4.267 0.282 19553 5889 1 17 . 1 1 79 79 SER C C 79 179.859 179.859 173.392 6.467 19553 5890 1 17 . 1 1 79 79 SER CA C 79 58.151 58.151 59.858 -1.707 19553 5891 1 17 . 1 1 79 79 SER CB C 79 64.330 64.330 63.267 1.063 19553 5892 1 17 . 1 1 79 79 SER H H 79 8.151 8.151 8.170 -0.019 19553 5893 1 17 . 1 1 80 80 ASP N N 80 122.779 122.779 115.951 6.828 19553 5894 1 17 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.230 -0.477 19553 5895 1 17 . 1 1 80 80 ASP C C 80 178.137 178.137 174.787 3.350 19553 5896 1 17 . 1 1 80 80 ASP CA C 80 54.028 54.028 52.671 1.357 19553 5897 1 17 . 1 1 80 80 ASP CB C 80 41.202 41.202 43.433 -2.231 19553 5898 1 17 . 1 1 80 80 ASP H H 80 8.294 8.294 7.618 0.676 19553 5899 1 17 . 1 1 81 81 LEU N N 81 125.106 125.106 123.692 1.414 19553 5900 1 17 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.730 -0.247 19553 5901 1 17 . 1 1 81 81 LEU C C 81 178.326 178.326 175.307 3.019 19553 5902 1 17 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.242 0.868 19553 5903 1 17 . 1 1 81 81 LEU CB C 81 42.090 42.090 43.764 -1.674 19553 5904 1 17 . 1 1 81 81 LEU H H 81 8.532 8.532 8.477 0.055 19553 5905 1 17 . 1 1 82 82 ILE N N 82 120.036 120.036 125.457 -5.421 19553 5906 1 17 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.856 -0.036 19553 5907 1 17 . 1 1 82 82 ILE C C 82 177.782 177.782 176.240 1.542 19553 5908 1 17 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.507 -1.333 19553 5909 1 17 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.141 1.778 19553 5910 1 17 . 1 1 82 82 ILE H H 82 7.848 7.848 8.347 -0.499 19553 5911 1 17 . 1 1 83 83 VAL N N 83 119.733 119.733 120.829 -1.096 19553 5912 1 17 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.885 -0.455 19553 5913 1 17 . 1 1 83 83 VAL C C 83 179.809 179.809 173.948 5.861 19553 5914 1 17 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.659 -0.206 19553 5915 1 17 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.697 -0.544 19553 5916 1 17 . 1 1 83 83 VAL H H 83 8.511 8.511 8.973 -0.462 19553 5917 1 17 . 1 1 84 84 HIS N N 84 122.907 122.907 117.598 5.309 19553 5918 1 17 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.548 0.012 19553 5919 1 17 . 1 1 84 84 HIS C C 84 178.593 178.593 174.721 3.872 19553 5920 1 17 . 1 1 84 84 HIS CA C 84 54.577 54.577 53.780 0.797 19553 5921 1 17 . 1 1 84 84 HIS CB C 84 30.967 30.967 31.591 -0.624 19553 5922 1 17 . 1 1 84 84 HIS H H 84 8.908 8.908 8.351 0.557 19553 5923 1 17 . 1 1 85 85 GLU N N 85 124.766 124.766 125.527 -0.761 19553 5924 1 17 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.489 0.277 19553 5925 1 17 . 1 1 85 85 GLU C C 85 176.641 176.641 177.092 -0.451 19553 5926 1 17 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.825 1.546 19553 5927 1 17 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.928 2.993 19553 5928 1 17 . 1 1 85 85 GLU H H 85 8.979 8.979 9.264 -0.285 19553 5929 1 17 . 1 1 86 86 GLY N N 86 119.987 119.987 114.088 5.899 19553 5930 1 17 . 1 1 86 86 GLY C C 86 178.249 178.249 175.165 3.084 19553 5931 1 17 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.799 1.477 19553 5932 1 17 . 1 1 86 86 GLY H H 86 9.540 9.540 9.176 0.364 19553 5933 1 17 . 1 1 87 87 GLY N N 87 108.242 108.242 105.524 2.718 19553 5934 1 17 . 1 1 87 87 GLY C C 87 179.578 179.578 174.687 4.891 19553 5935 1 17 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.136 -0.195 19553 5936 1 17 . 1 1 87 87 GLY H H 87 8.920 8.920 8.811 0.109 19553 5937 1 17 . 1 1 88 88 LYS N N 88 121.010 121.010 123.747 -2.737 19553 5938 1 17 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.598 0.020 19553 5939 1 17 . 1 1 88 88 LYS C C 88 178.241 178.241 175.617 2.624 19553 5940 1 17 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.148 0.769 19553 5941 1 17 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.214 1.938 19553 5942 1 17 . 1 1 88 88 LYS H H 88 7.858 7.858 7.590 0.268 19553 5943 1 17 . 1 1 89 89 THR N N 89 117.172 117.172 118.969 -1.797 19553 5944 1 17 . 1 1 89 89 THR HA H 89 4.691 4.691 5.248 -0.557 19553 5945 1 17 . 1 1 89 89 THR C C 89 180.192 180.192 174.116 6.076 19553 5946 1 17 . 1 1 89 89 THR CA C 89 61.646 61.646 61.741 -0.095 19553 5947 1 17 . 1 1 89 89 THR CB C 89 70.339 70.339 69.139 1.200 19553 5948 1 17 . 1 1 89 89 THR H H 89 8.230 8.230 8.516 -0.286 19553 5949 1 17 . 1 1 90 90 TYR N N 90 123.521 123.521 125.028 -1.507 19553 5950 1 17 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.818 -0.139 19553 5951 1 17 . 1 1 90 90 TYR C C 90 179.282 179.282 175.000 4.282 19553 5952 1 17 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.662 -0.255 19553 5953 1 17 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.741 -1.769 19553 5954 1 17 . 1 1 90 90 TYR H H 90 8.927 8.927 8.935 -0.008 19553 5955 1 17 . 1 1 91 91 HIS N N 91 120.999 120.999 120.343 0.656 19553 5956 1 17 . 1 1 91 91 HIS HA H 91 5.086 5.086 4.954 0.132 19553 5957 1 17 . 1 1 91 91 HIS C C 91 178.719 178.719 174.659 4.060 19553 5958 1 17 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.630 -0.647 19553 5959 1 17 . 1 1 91 91 HIS CB C 91 29.492 29.492 32.232 -2.740 19553 5960 1 17 . 1 1 91 91 HIS H H 91 8.987 8.987 8.704 0.283 19553 5961 1 17 . 1 1 92 92 VAL N N 92 120.849 120.849 124.121 -3.272 19553 5962 1 17 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.249 0.151 19553 5963 1 17 . 1 1 92 92 VAL C C 92 180.110 180.110 173.878 6.232 19553 5964 1 17 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.624 -1.464 19553 5965 1 17 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.831 0.712 19553 5966 1 17 . 1 1 92 92 VAL H H 92 8.677 8.677 8.782 -0.105 19553 5967 1 17 . 1 1 93 93 VAL N N 93 121.626 121.626 126.026 -4.400 19553 5968 1 17 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.327 -0.146 19553 5969 1 17 . 1 1 93 93 VAL C C 93 178.555 178.555 174.261 4.294 19553 5970 1 17 . 1 1 93 93 VAL CA C 93 60.547 60.547 61.287 -0.740 19553 5971 1 17 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.263 0.012 19553 5972 1 17 . 1 1 93 93 VAL H H 93 7.997 7.997 8.181 -0.184 19553 5973 1 17 . 1 1 94 94 CYS N N 94 123.035 123.035 125.096 -2.061 19553 5974 1 17 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.501 -0.108 19553 5975 1 17 . 1 1 94 94 CYS CA C 94 53.491 53.491 57.732 -4.241 19553 5976 1 17 . 1 1 94 94 CYS CB C 94 41.492 41.492 29.171 12.321 19553 5977 1 17 . 1 1 94 94 CYS H H 94 7.890 7.890 8.045 -0.155 19553 5978 1 17 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.392 0.041 19553 5979 1 17 . 1 1 95 95 HIS C C 95 179.991 179.991 174.554 5.437 19553 5980 1 17 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.099 -0.688 19553 5981 1 17 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.777 0.498 19553 5982 1 17 . 1 1 96 96 GLU N N 96 117.019 117.019 118.873 -1.854 19553 5983 1 17 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.766 0.075 19553 5984 1 17 . 1 1 96 96 GLU C C 96 178.360 178.360 175.458 2.902 19553 5985 1 17 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.374 -0.934 19553 5986 1 17 . 1 1 96 96 GLU CB C 96 32.505 32.505 31.724 0.781 19553 5987 1 17 . 1 1 96 96 GLU H H 96 7.623 7.623 7.875 -0.252 19553 5988 1 17 . 1 1 97 97 GLU N N 97 121.779 121.779 123.680 -1.901 19553 5989 1 17 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.678 -0.235 19553 5990 1 17 . 1 1 97 97 GLU C C 97 176.658 176.658 176.205 0.453 19553 5991 1 17 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.648 1.284 19553 5992 1 17 . 1 1 97 97 GLU CB C 97 30.651 30.651 29.788 0.863 19553 5993 1 17 . 1 1 97 97 GLU H H 97 9.280 9.280 8.881 0.399 19553 5994 1 17 . 1 1 98 98 GLY N N 98 109.900 109.900 112.421 -2.521 19553 5995 1 17 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.767 -0.491 19553 5996 1 17 . 1 1 98 98 GLY H H 98 8.745 8.745 8.158 0.587 19553 5997 1 17 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.599 0.070 19553 5998 1 17 . 1 1 99 99 PRO C C 99 176.795 176.795 176.015 0.780 19553 5999 1 17 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.220 0.351 19553 6000 1 17 . 1 1 99 99 PRO CB C 99 33.687 33.687 33.005 0.682 19553 6001 1 17 . 1 1 100 100 ILE N N 100 118.686 118.686 117.617 1.069 19553 6002 1 17 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.080 -0.173 19553 6003 1 17 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.465 1.741 19553 6004 1 17 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.216 0.888 19553 6005 1 17 . 1 1 100 100 ILE H H 100 9.748 9.748 8.888 0.860 19553 6006 1 17 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.557 -0.426 19553 6007 1 17 . 1 1 101 101 PRO C C 101 177.525 177.525 176.333 1.192 19553 6008 1 17 . 1 1 101 101 PRO CA C 101 63.083 63.083 63.037 0.046 19553 6009 1 17 . 1 1 101 101 PRO CB C 101 31.670 31.670 33.017 -1.347 19553 6010 1 17 . 1 1 102 102 HIS N N 102 123.222 123.222 119.238 3.984 19553 6011 1 17 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.704 -0.116 19553 6012 1 17 . 1 1 102 102 HIS CA C 102 52.564 52.564 53.998 -1.434 19553 6013 1 17 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.222 -0.352 19553 6014 1 17 . 1 1 102 102 HIS H H 102 8.717 8.717 8.589 0.128 19553 6015 1 17 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.246 0.035 19553 6016 1 17 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.150 -0.675 19553 6017 1 17 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.729 0.257 19553 6018 1 17 . 1 1 104 104 GLY N N 104 106.530 106.530 106.625 -0.095 19553 6019 1 17 . 1 1 104 104 GLY C C 104 180.058 180.058 173.693 6.365 19553 6020 1 17 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.136 0.574 19553 6021 1 17 . 1 1 104 104 GLY H H 104 9.682 9.682 7.258 2.424 19553 6022 1 17 . 1 1 105 105 ASN N N 105 118.099 118.099 116.979 1.120 19553 6023 1 17 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.778 -0.102 19553 6024 1 17 . 1 1 105 105 ASN C C 105 178.082 178.082 175.361 2.721 19553 6025 1 17 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.589 1.645 19553 6026 1 17 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.577 -0.404 19553 6027 1 17 . 1 1 105 105 ASN H H 105 6.870 6.870 7.637 -0.767 19553 6028 1 17 . 1 1 106 106 VAL N N 106 123.752 123.752 122.900 0.852 19553 6029 1 17 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.788 0.791 19553 6030 1 17 . 1 1 106 106 VAL C C 106 178.463 178.463 177.229 1.234 19553 6031 1 17 . 1 1 106 106 VAL CA C 106 63.313 63.313 65.189 -1.876 19553 6032 1 17 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.355 0.257 19553 6033 1 17 . 1 1 106 106 VAL H H 106 8.774 8.774 8.765 0.009 19553 6034 1 17 . 1 1 107 107 HIS N N 107 116.712 116.712 116.665 0.047 19553 6035 1 17 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.801 -0.211 19553 6036 1 17 . 1 1 107 107 HIS C C 107 180.421 180.421 175.659 4.762 19553 6037 1 17 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.312 -0.663 19553 6038 1 17 . 1 1 107 107 HIS CB C 107 27.754 27.754 28.906 -1.152 19553 6039 1 17 . 1 1 107 107 HIS H H 107 9.171 9.171 8.536 0.635 19553 6040 1 17 . 1 1 108 108 LYS N N 108 119.379 119.379 117.308 2.071 19553 6041 1 17 . 1 1 108 108 LYS HA H 108 5.118 5.118 5.023 0.095 19553 6042 1 17 . 1 1 108 108 LYS C C 108 181.487 181.487 174.534 6.953 19553 6043 1 17 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.202 -0.644 19553 6044 1 17 . 1 1 108 108 LYS CB C 108 39.349 39.349 37.060 2.289 19553 6045 1 17 . 1 1 108 108 LYS H H 108 7.627 7.627 7.771 -0.144 19553 6046 1 17 . 1 1 109 109 TYR N N 109 114.203 114.203 117.304 -3.101 19553 6047 1 17 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.878 -0.301 19553 6048 1 17 . 1 1 109 109 TYR C C 109 181.588 181.588 172.848 8.740 19553 6049 1 17 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.720 0.647 19553 6050 1 17 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.078 -3.283 19553 6051 1 17 . 1 1 109 109 TYR H H 109 9.006 9.006 9.205 -0.199 19553 6052 1 17 . 1 1 110 110 ILE N N 110 119.840 119.840 117.921 1.919 19553 6053 1 17 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.711 -0.026 19553 6054 1 17 . 1 1 110 110 ILE C C 110 178.917 178.917 174.783 4.134 19553 6055 1 17 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.472 -0.232 19553 6056 1 17 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.980 -0.750 19553 6057 1 17 . 1 1 110 110 ILE H H 110 8.764 8.764 8.908 -0.144 19553 6058 1 17 . 1 1 111 111 ILE N N 111 124.346 124.346 126.421 -2.075 19553 6059 1 17 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.463 -0.131 19553 6060 1 17 . 1 1 111 111 ILE C C 111 175.896 175.896 174.964 0.932 19553 6061 1 17 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.089 0.612 19553 6062 1 17 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.343 1.170 19553 6063 1 17 . 1 1 111 111 ILE H H 111 9.032 9.032 8.627 0.405 19553 6064 1 17 . 1 1 112 112 CYS N N 112 128.772 128.772 128.425 0.347 19553 6065 1 17 . 1 1 112 112 CYS HA H 112 5.081 5.081 5.275 -0.194 19553 6066 1 17 . 1 1 112 112 CYS C C 112 178.268 178.268 174.322 3.946 19553 6067 1 17 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.290 -1.048 19553 6068 1 17 . 1 1 112 112 CYS CB C 112 43.955 43.955 28.046 15.909 19553 6069 1 17 . 1 1 112 112 CYS H H 112 8.517 8.517 8.494 0.023 19553 6070 1 17 . 1 1 113 113 SER N N 113 120.988 120.988 118.883 2.105 19553 6071 1 17 . 1 1 113 113 SER HA H 113 4.996 4.996 4.791 0.205 19553 6072 1 17 . 1 1 113 113 SER C C 113 182.750 182.750 172.287 10.463 19553 6073 1 17 . 1 1 113 113 SER CA C 113 57.517 57.517 57.417 0.100 19553 6074 1 17 . 1 1 113 113 SER CB C 113 65.528 65.528 65.946 -0.418 19553 6075 1 17 . 1 1 113 113 SER H H 113 9.361 9.361 9.384 -0.023 19553 6076 1 17 . 1 1 114 114 LYS N N 114 123.657 123.657 127.097 -3.440 19553 6077 1 17 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.445 0.159 19553 6078 1 17 . 1 1 114 114 LYS C C 114 176.524 176.524 175.484 1.040 19553 6079 1 17 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.911 -0.049 19553 6080 1 17 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.767 0.616 19553 6081 1 17 . 1 1 114 114 LYS H H 114 8.899 8.899 8.628 0.271 19553 6082 1 17 . 1 1 115 115 SER N N 115 119.515 119.515 123.707 -4.192 19553 6083 1 17 . 1 1 115 115 SER HA H 115 4.589 4.589 4.595 -0.006 19553 6084 1 17 . 1 1 115 115 SER C C 115 178.064 178.064 174.974 3.090 19553 6085 1 17 . 1 1 115 115 SER CA C 115 56.468 56.468 58.001 -1.533 19553 6086 1 17 . 1 1 115 115 SER CB C 115 63.236 63.236 63.230 0.006 19553 6087 1 17 . 1 1 115 115 SER H H 115 8.560 8.560 8.903 -0.343 19553 6088 1 17 . 1 1 116 116 GLY N N 116 118.606 118.606 117.785 0.821 19553 6089 1 17 . 1 1 116 116 GLY C C 116 178.577 178.577 175.141 3.436 19553 6090 1 17 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.752 0.195 19553 6091 1 17 . 1 1 116 116 GLY H H 116 9.067 9.067 8.464 0.603 19553 6092 1 17 . 1 1 117 117 SER N N 117 121.443 121.443 119.490 1.953 19553 6093 1 17 . 1 1 117 117 SER HA H 117 4.310 4.310 4.689 -0.379 19553 6094 1 17 . 1 1 117 117 SER C C 117 180.107 180.107 173.454 6.653 19553 6095 1 17 . 1 1 117 117 SER CA C 117 58.416 58.416 57.714 0.702 19553 6096 1 17 . 1 1 117 117 SER CB C 117 63.758 63.758 63.893 -0.135 19553 6097 1 17 . 1 1 117 117 SER H H 117 8.908 8.908 8.219 0.689 19553 6098 1 17 . 1 1 118 118 LEU N N 118 123.028 123.028 122.939 0.089 19553 6099 1 17 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.717 -0.131 19553 6100 1 17 . 1 1 118 118 LEU C C 118 177.894 177.894 174.016 3.878 19553 6101 1 17 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.256 -0.139 19553 6102 1 17 . 1 1 118 118 LEU CB C 118 44.230 44.230 45.023 -0.793 19553 6103 1 17 . 1 1 118 118 LEU H H 118 7.763 7.763 7.763 -0.000 19553 6104 1 17 . 1 1 119 119 TRP N N 119 120.523 120.523 124.329 -3.806 19553 6105 1 17 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.130 0.088 19553 6106 1 17 . 1 1 119 119 TRP C C 119 177.735 177.735 175.915 1.820 19553 6107 1 17 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.685 -0.244 19553 6108 1 17 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.593 1.588 19553 6109 1 17 . 1 1 119 119 TRP H H 119 8.102 8.102 8.420 -0.318 19553 6110 1 17 . 1 1 120 120 TYR N N 120 119.365 119.365 122.552 -3.187 19553 6111 1 17 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.810 0.045 19553 6112 1 17 . 1 1 120 120 TYR C C 120 179.683 179.683 175.055 4.628 19553 6113 1 17 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.534 -1.107 19553 6114 1 17 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.650 0.138 19553 6115 1 17 . 1 1 120 120 TYR H H 120 9.495 9.495 9.412 0.083 19553 6116 1 17 . 1 1 121 121 ILE N N 121 111.471 111.471 119.885 -8.414 19553 6117 1 17 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.533 0.162 19553 6118 1 17 . 1 1 121 121 ILE C C 121 177.137 177.137 175.203 1.934 19553 6119 1 17 . 1 1 121 121 ILE CA C 121 58.266 58.266 59.048 -0.782 19553 6120 1 17 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.451 1.740 19553 6121 1 17 . 1 1 121 121 ILE H H 121 8.338 8.338 8.484 -0.146 19553 6122 1 17 . 1 1 122 122 THR N N 122 116.120 116.120 121.871 -5.751 19553 6123 1 17 . 1 1 122 122 THR HA H 122 4.493 4.493 4.618 -0.125 19553 6124 1 17 . 1 1 122 122 THR C C 122 180.251 180.251 172.674 7.577 19553 6125 1 17 . 1 1 122 122 THR CA C 122 61.437 61.437 61.900 -0.463 19553 6126 1 17 . 1 1 122 122 THR CB C 122 71.892 71.892 71.636 0.256 19553 6127 1 17 . 1 1 122 122 THR H H 122 7.796 7.796 8.347 -0.551 19553 6128 1 17 . 1 1 123 123 VAL N N 123 128.072 128.072 127.857 0.215 19553 6129 1 17 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.541 -0.269 19553 6130 1 17 . 1 1 123 123 VAL C C 123 178.576 178.576 174.928 3.648 19553 6131 1 17 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.163 1.795 19553 6132 1 17 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.645 -0.612 19553 6133 1 17 . 1 1 123 123 VAL H H 123 9.009 9.009 8.518 0.491 19553 6134 1 17 . 1 1 124 124 MET N N 124 127.234 127.234 128.883 -1.649 19553 6135 1 17 . 1 1 124 124 MET HA H 124 5.053 5.053 4.889 0.164 19553 6136 1 17 . 1 1 124 124 MET CA C 124 50.145 50.145 51.319 -1.174 19553 6137 1 17 . 1 1 124 124 MET CB C 124 33.625 33.625 33.880 -0.255 19553 6138 1 17 . 1 1 124 124 MET H H 124 8.799 8.799 8.441 0.358 19553 6139 1 17 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.732 0.159 19553 6140 1 17 . 1 1 125 125 PRO C C 125 174.594 174.594 176.210 -1.616 19553 6141 1 17 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.093 -0.529 19553 6142 1 17 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.429 -1.119 19553 6143 1 17 . 1 1 126 126 CYS N N 126 119.444 119.444 122.404 -2.960 19553 6144 1 17 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.527 0.604 19553 6145 1 17 . 1 1 126 126 CYS C C 126 177.425 177.425 175.603 1.822 19553 6146 1 17 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.802 -5.246 19553 6147 1 17 . 1 1 126 126 CYS CB C 126 38.277 38.277 27.937 10.340 19553 6148 1 17 . 1 1 126 126 CYS H H 126 8.355 8.355 8.672 -0.317 19553 6149 1 17 . 1 1 127 127 SER N N 127 117.888 117.888 116.472 1.416 19553 6150 1 17 . 1 1 127 127 SER HA H 127 4.382 4.382 4.331 0.051 19553 6151 1 17 . 1 1 127 127 SER C C 127 178.499 178.499 174.705 3.794 19553 6152 1 17 . 1 1 127 127 SER CA C 127 59.179 59.179 58.939 0.240 19553 6153 1 17 . 1 1 127 127 SER CB C 127 63.503 63.503 63.700 -0.197 19553 6154 1 17 . 1 1 127 127 SER H H 127 8.255 8.255 8.440 -0.185 19553 6155 1 17 . 1 1 128 128 ILE N N 128 125.176 125.176 123.099 2.077 19553 6156 1 17 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.914 0.074 19553 6157 1 17 . 1 1 128 128 ILE C C 128 176.825 176.825 177.320 -0.495 19553 6158 1 17 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.053 0.254 19553 6159 1 17 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.466 0.159 19553 6160 1 17 . 1 1 128 128 ILE H H 128 8.727 8.727 8.566 0.161 19553 6161 1 17 . 1 1 129 129 GLY N N 129 114.581 114.581 115.780 -1.199 19553 6162 1 17 . 1 1 129 129 GLY C C 129 178.928 178.928 173.970 4.958 19553 6163 1 17 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.031 -0.147 19553 6164 1 17 . 1 1 129 129 GLY H H 129 8.888 8.888 8.781 0.107 19553 6165 1 17 . 1 1 130 130 THR N N 130 110.279 110.279 112.467 -2.188 19553 6166 1 17 . 1 1 130 130 THR HA H 130 5.294 5.294 5.130 0.164 19553 6167 1 17 . 1 1 130 130 THR C C 130 180.377 180.377 172.513 7.864 19553 6168 1 17 . 1 1 130 130 THR CA C 130 60.262 60.262 60.169 0.093 19553 6169 1 17 . 1 1 130 130 THR CB C 130 72.701 72.701 72.177 0.524 19553 6170 1 17 . 1 1 130 130 THR H H 130 8.132 8.132 7.759 0.373 19553 6171 1 17 . 1 1 131 131 LYS N N 131 117.394 117.394 117.399 -0.005 19553 6172 1 17 . 1 1 131 131 LYS HA H 131 4.829 4.829 4.843 -0.014 19553 6173 1 17 . 1 1 131 131 LYS C C 131 179.939 179.939 174.306 5.633 19553 6174 1 17 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.512 -0.459 19553 6175 1 17 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.125 -0.180 19553 6176 1 17 . 1 1 131 131 LYS H H 131 9.579 9.579 8.910 0.669 19553 6177 1 17 . 1 1 132 132 PHE N N 132 123.518 123.518 123.634 -0.116 19553 6178 1 17 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.750 -0.357 19553 6179 1 17 . 1 1 132 132 PHE C C 132 178.908 178.908 174.841 4.067 19553 6180 1 17 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.366 1.560 19553 6181 1 17 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.798 -1.503 19553 6182 1 17 . 1 1 132 132 PHE H H 132 9.347 9.347 8.876 0.471 19553 6183 1 17 . 1 1 133 133 ASP N N 133 130.494 130.494 127.699 2.795 19553 6184 1 17 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.986 -0.010 19553 6185 1 17 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.612 -0.761 19553 6186 1 17 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.130 0.286 19553 6187 1 17 . 1 1 133 133 ASP H H 133 8.091 8.091 8.280 -0.189 19553 6188 1 17 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.515 -0.438 19553 6189 1 17 . 1 1 134 134 PRO C C 134 176.646 176.646 177.030 -0.384 19553 6190 1 17 . 1 1 134 134 PRO CA C 134 63.636 63.636 65.095 -1.459 19553 6191 1 17 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.105 0.695 19553 6192 1 17 . 1 1 135 135 ILE N N 135 118.026 118.026 116.923 1.103 19553 6193 1 17 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.063 -0.163 19553 6194 1 17 . 1 1 135 135 ILE C C 135 175.842 175.842 177.948 -2.106 19553 6195 1 17 . 1 1 135 135 ILE CA C 135 63.390 63.390 61.935 1.455 19553 6196 1 17 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.591 -1.675 19553 6197 1 17 . 1 1 135 135 ILE H H 135 7.844 7.844 7.605 0.239 19553 6198 1 17 . 1 1 136 136 SER N N 136 113.845 113.845 115.700 -1.855 19553 6199 1 17 . 1 1 136 136 SER HA H 136 4.144 4.144 4.193 -0.049 19553 6200 1 17 . 1 1 136 136 SER C C 136 178.752 178.752 174.428 4.324 19553 6201 1 17 . 1 1 136 136 SER CA C 136 59.461 59.461 60.681 -1.220 19553 6202 1 17 . 1 1 136 136 SER CB C 136 63.840 63.840 63.498 0.342 19553 6203 1 17 . 1 1 136 136 SER H H 136 7.779 7.779 8.951 -1.172 19553 6204 1 17 . 1 1 137 137 ARG N N 137 116.720 116.720 116.004 0.716 19553 6205 1 17 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.789 -0.558 19553 6206 1 17 . 1 1 137 137 ARG C C 137 180.002 180.002 174.031 5.971 19553 6207 1 17 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.607 0.503 19553 6208 1 17 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.214 -1.011 19553 6209 1 17 . 1 1 137 137 ARG H H 137 7.935 7.935 7.900 0.035 19553 6210 1 17 . 1 1 138 138 ASN N N 138 113.845 113.845 112.864 0.981 19553 6211 1 17 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.609 0.092 19553 6212 1 17 . 1 1 138 138 ASN C C 138 179.580 179.580 172.806 6.774 19553 6213 1 17 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.517 -0.705 19553 6214 1 17 . 1 1 138 138 ASN CB C 138 41.745 41.745 41.412 0.333 19553 6215 1 17 . 1 1 138 138 ASN H H 138 6.857 6.857 6.912 -0.055 19553 6216 1 17 . 1 1 139 139 CYS N N 139 120.168 120.168 120.266 -0.098 19553 6217 1 17 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.171 0.049 19553 6218 1 17 . 1 1 139 139 CYS C C 139 178.616 178.616 175.057 3.559 19553 6219 1 17 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.150 -1.962 19553 6220 1 17 . 1 1 139 139 CYS CB C 139 40.808 40.808 26.685 14.123 19553 6221 1 17 . 1 1 139 139 CYS H H 139 8.519 8.519 8.517 0.002 19553 6222 1 17 . 1 1 140 140 VAL N N 140 119.928 119.928 121.105 -1.177 19553 6223 1 17 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.456 0.211 19553 6224 1 17 . 1 1 140 140 VAL C C 140 178.299 178.299 174.517 3.782 19553 6225 1 17 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.800 -0.662 19553 6226 1 17 . 1 1 140 140 VAL CB C 140 35.402 35.402 33.762 1.640 19553 6227 1 17 . 1 1 140 140 VAL H H 140 9.531 9.531 9.194 0.337 19553 6228 1 17 . 1 1 141 141 LEU N N 141 121.749 121.749 122.907 -1.158 19553 6229 1 17 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.322 -0.313 19553 6230 1 17 . 1 1 141 141 LEU C C 141 176.847 176.847 176.013 0.834 19553 6231 1 17 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.610 1.232 19553 6232 1 17 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.912 0.290 19553 6233 1 17 . 1 1 141 141 LEU H H 141 8.363 8.363 8.441 -0.078 19553 6234 1 17 . 1 1 142 142 ASP N N 142 123.416 123.416 128.038 -4.622 19553 6235 1 17 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.637 -0.010 19553 6236 1 17 . 1 1 142 142 ASP C C 142 179.175 179.175 174.630 4.545 19553 6237 1 17 . 1 1 142 142 ASP CA C 142 53.044 53.044 53.887 -0.843 19553 6238 1 17 . 1 1 142 142 ASP CB C 142 40.741 40.741 40.941 -0.200 19553 6239 1 17 . 1 1 142 142 ASP H H 142 8.271 8.271 8.471 -0.200 19553 6240 1 18 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.444 0.077 19553 6241 1 18 . 1 1 76 76 PRO C C 76 176.427 176.427 175.687 0.740 19553 6242 1 18 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.807 0.250 19553 6243 1 18 . 1 1 76 76 PRO CB C 76 32.361 32.361 31.613 0.748 19553 6244 1 18 . 1 1 77 77 LEU N N 77 122.647 122.647 125.155 -2.508 19553 6245 1 18 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.317 0.112 19553 6246 1 18 . 1 1 77 77 LEU C C 77 175.532 175.532 177.611 -2.079 19553 6247 1 18 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.847 0.803 19553 6248 1 18 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.698 -0.357 19553 6249 1 18 . 1 1 77 77 LEU H H 77 8.571 8.571 8.180 0.391 19553 6250 1 18 . 1 1 78 78 GLY N N 78 110.072 110.072 104.475 5.597 19553 6251 1 18 . 1 1 78 78 GLY C C 78 179.395 179.395 176.007 3.388 19553 6252 1 18 . 1 1 78 78 GLY CA C 78 45.270 45.270 46.250 -0.980 19553 6253 1 18 . 1 1 78 78 GLY H H 78 8.483 8.483 8.469 0.014 19553 6254 1 18 . 1 1 79 79 SER N N 79 115.122 115.122 115.188 -0.066 19553 6255 1 18 . 1 1 79 79 SER HA H 79 4.549 4.549 4.136 0.413 19553 6256 1 18 . 1 1 79 79 SER C C 79 179.859 179.859 173.566 6.293 19553 6257 1 18 . 1 1 79 79 SER CA C 79 58.151 58.151 60.754 -2.603 19553 6258 1 18 . 1 1 79 79 SER CB C 79 64.330 64.330 63.628 0.702 19553 6259 1 18 . 1 1 79 79 SER H H 79 8.151 8.151 8.381 -0.230 19553 6260 1 18 . 1 1 80 80 ASP N N 80 122.779 122.779 115.453 7.326 19553 6261 1 18 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.136 -0.383 19553 6262 1 18 . 1 1 80 80 ASP C C 80 178.137 178.137 174.182 3.955 19553 6263 1 18 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.069 0.959 19553 6264 1 18 . 1 1 80 80 ASP CB C 80 41.202 41.202 43.025 -1.823 19553 6265 1 18 . 1 1 80 80 ASP H H 80 8.294 8.294 7.547 0.747 19553 6266 1 18 . 1 1 81 81 LEU N N 81 125.106 125.106 123.860 1.246 19553 6267 1 18 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.764 -0.281 19553 6268 1 18 . 1 1 81 81 LEU C C 81 178.326 178.326 175.190 3.136 19553 6269 1 18 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.002 1.108 19553 6270 1 18 . 1 1 81 81 LEU CB C 81 42.090 42.090 44.637 -2.547 19553 6271 1 18 . 1 1 81 81 LEU H H 81 8.532 8.532 8.709 -0.177 19553 6272 1 18 . 1 1 82 82 ILE N N 82 120.036 120.036 125.201 -5.165 19553 6273 1 18 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.786 0.034 19553 6274 1 18 . 1 1 82 82 ILE C C 82 177.782 177.782 175.849 1.933 19553 6275 1 18 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.493 -1.319 19553 6276 1 18 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.014 1.905 19553 6277 1 18 . 1 1 82 82 ILE H H 82 7.848 7.848 8.242 -0.394 19553 6278 1 18 . 1 1 83 83 VAL N N 83 119.733 119.733 122.035 -2.302 19553 6279 1 18 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.538 -0.108 19553 6280 1 18 . 1 1 83 83 VAL C C 83 179.809 179.809 174.183 5.626 19553 6281 1 18 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.069 0.384 19553 6282 1 18 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.479 -0.326 19553 6283 1 18 . 1 1 83 83 VAL H H 83 8.511 8.511 8.766 -0.255 19553 6284 1 18 . 1 1 84 84 HIS N N 84 122.907 122.907 121.856 1.051 19553 6285 1 18 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.318 0.242 19553 6286 1 18 . 1 1 84 84 HIS C C 84 178.593 178.593 174.857 3.736 19553 6287 1 18 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.246 -0.669 19553 6288 1 18 . 1 1 84 84 HIS CB C 84 30.967 30.967 30.161 0.806 19553 6289 1 18 . 1 1 84 84 HIS H H 84 8.908 8.908 8.530 0.378 19553 6290 1 18 . 1 1 85 85 GLU N N 85 124.766 124.766 125.156 -0.390 19553 6291 1 18 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.615 0.151 19553 6292 1 18 . 1 1 85 85 GLU C C 85 176.641 176.641 177.159 -0.518 19553 6293 1 18 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.895 1.477 19553 6294 1 18 . 1 1 85 85 GLU CB C 85 32.921 32.921 29.876 3.045 19553 6295 1 18 . 1 1 85 85 GLU H H 85 8.979 8.979 9.210 -0.231 19553 6296 1 18 . 1 1 86 86 GLY N N 86 119.987 119.987 115.498 4.489 19553 6297 1 18 . 1 1 86 86 GLY C C 86 178.249 178.249 175.086 3.163 19553 6298 1 18 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.727 1.549 19553 6299 1 18 . 1 1 86 86 GLY H H 86 9.540 9.540 9.092 0.448 19553 6300 1 18 . 1 1 87 87 GLY N N 87 108.242 108.242 105.448 2.794 19553 6301 1 18 . 1 1 87 87 GLY C C 87 179.578 179.578 174.884 4.694 19553 6302 1 18 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.194 -0.253 19553 6303 1 18 . 1 1 87 87 GLY H H 87 8.920 8.920 8.603 0.317 19553 6304 1 18 . 1 1 88 88 LYS N N 88 121.010 121.010 123.982 -2.972 19553 6305 1 18 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.479 0.139 19553 6306 1 18 . 1 1 88 88 LYS C C 88 178.241 178.241 175.998 2.243 19553 6307 1 18 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.553 0.364 19553 6308 1 18 . 1 1 88 88 LYS CB C 88 35.152 35.152 32.653 2.499 19553 6309 1 18 . 1 1 88 88 LYS H H 88 7.858 7.858 7.820 0.038 19553 6310 1 18 . 1 1 89 89 THR N N 89 117.172 117.172 119.027 -1.855 19553 6311 1 18 . 1 1 89 89 THR HA H 89 4.691 4.691 5.103 -0.412 19553 6312 1 18 . 1 1 89 89 THR C C 89 180.192 180.192 174.045 6.147 19553 6313 1 18 . 1 1 89 89 THR CA C 89 61.646 61.646 61.808 -0.162 19553 6314 1 18 . 1 1 89 89 THR CB C 89 70.339 70.339 69.071 1.268 19553 6315 1 18 . 1 1 89 89 THR H H 89 8.230 8.230 8.539 -0.309 19553 6316 1 18 . 1 1 90 90 TYR N N 90 123.521 123.521 125.888 -2.367 19553 6317 1 18 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.803 -0.124 19553 6318 1 18 . 1 1 90 90 TYR C C 90 179.282 179.282 174.795 4.487 19553 6319 1 18 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.595 -0.188 19553 6320 1 18 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.476 -1.504 19553 6321 1 18 . 1 1 90 90 TYR H H 90 8.927 8.927 8.818 0.109 19553 6322 1 18 . 1 1 91 91 HIS N N 91 120.999 120.999 120.151 0.848 19553 6323 1 18 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.156 -0.070 19553 6324 1 18 . 1 1 91 91 HIS C C 91 178.719 178.719 174.649 4.070 19553 6325 1 18 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.340 -0.357 19553 6326 1 18 . 1 1 91 91 HIS CB C 91 29.492 29.492 32.086 -2.594 19553 6327 1 18 . 1 1 91 91 HIS H H 91 8.987 8.987 8.654 0.333 19553 6328 1 18 . 1 1 92 92 VAL N N 92 120.849 120.849 124.984 -4.135 19553 6329 1 18 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.334 0.066 19553 6330 1 18 . 1 1 92 92 VAL C C 92 180.110 180.110 174.449 5.661 19553 6331 1 18 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.164 -1.004 19553 6332 1 18 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.085 1.458 19553 6333 1 18 . 1 1 92 92 VAL H H 92 8.677 8.677 9.071 -0.394 19553 6334 1 18 . 1 1 93 93 VAL N N 93 121.626 121.626 126.319 -4.693 19553 6335 1 18 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.412 -0.231 19553 6336 1 18 . 1 1 93 93 VAL C C 93 178.555 178.555 175.378 3.177 19553 6337 1 18 . 1 1 93 93 VAL CA C 93 60.547 60.547 61.067 -0.520 19553 6338 1 18 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.274 0.001 19553 6339 1 18 . 1 1 93 93 VAL H H 93 7.997 7.997 8.422 -0.425 19553 6340 1 18 . 1 1 94 94 CYS N N 94 123.035 123.035 126.419 -3.384 19553 6341 1 18 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.601 -0.208 19553 6342 1 18 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.366 -4.875 19553 6343 1 18 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.083 15.409 19553 6344 1 18 . 1 1 94 94 CYS H H 94 7.890 7.890 8.893 -1.003 19553 6345 1 18 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.340 0.093 19553 6346 1 18 . 1 1 95 95 HIS C C 95 179.991 179.991 174.128 5.863 19553 6347 1 18 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.884 -1.473 19553 6348 1 18 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.542 0.733 19553 6349 1 18 . 1 1 96 96 GLU N N 96 117.019 117.019 119.146 -2.127 19553 6350 1 18 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.754 0.087 19553 6351 1 18 . 1 1 96 96 GLU C C 96 178.360 178.360 175.071 3.289 19553 6352 1 18 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.441 -1.001 19553 6353 1 18 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.595 -0.090 19553 6354 1 18 . 1 1 96 96 GLU H H 96 7.623 7.623 7.956 -0.333 19553 6355 1 18 . 1 1 97 97 GLU N N 97 121.779 121.779 121.040 0.739 19553 6356 1 18 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.582 -0.139 19553 6357 1 18 . 1 1 97 97 GLU C C 97 176.658 176.658 176.809 -0.151 19553 6358 1 18 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.730 1.202 19553 6359 1 18 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.393 0.258 19553 6360 1 18 . 1 1 97 97 GLU H H 97 9.280 9.280 8.756 0.524 19553 6361 1 18 . 1 1 98 98 GLY N N 98 109.900 109.900 111.293 -1.393 19553 6362 1 18 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.387 -0.111 19553 6363 1 18 . 1 1 98 98 GLY H H 98 8.745 8.745 8.686 0.059 19553 6364 1 18 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.570 0.099 19553 6365 1 18 . 1 1 99 99 PRO C C 99 176.795 176.795 176.122 0.673 19553 6366 1 18 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.433 0.138 19553 6367 1 18 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.516 1.171 19553 6368 1 18 . 1 1 100 100 ILE N N 100 118.686 118.686 118.689 -0.003 19553 6369 1 18 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.092 -0.185 19553 6370 1 18 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.469 1.737 19553 6371 1 18 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.200 0.904 19553 6372 1 18 . 1 1 100 100 ILE H H 100 9.748 9.748 8.964 0.784 19553 6373 1 18 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.743 -0.612 19553 6374 1 18 . 1 1 101 101 PRO C C 101 177.525 177.525 176.340 1.185 19553 6375 1 18 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.744 0.339 19553 6376 1 18 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.670 -1.000 19553 6377 1 18 . 1 1 102 102 HIS N N 102 123.222 123.222 119.907 3.315 19553 6378 1 18 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.853 -0.265 19553 6379 1 18 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.077 -1.513 19553 6380 1 18 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.696 -0.826 19553 6381 1 18 . 1 1 102 102 HIS H H 102 8.717 8.717 8.419 0.298 19553 6382 1 18 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.216 0.065 19553 6383 1 18 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.609 -1.134 19553 6384 1 18 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.748 0.238 19553 6385 1 18 . 1 1 104 104 GLY N N 104 106.530 106.530 106.297 0.233 19553 6386 1 18 . 1 1 104 104 GLY C C 104 180.058 180.058 174.034 6.024 19553 6387 1 18 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.968 -0.257 19553 6388 1 18 . 1 1 104 104 GLY H H 104 9.682 9.682 7.896 1.786 19553 6389 1 18 . 1 1 105 105 ASN N N 105 118.099 118.099 119.809 -1.710 19553 6390 1 18 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.870 -0.194 19553 6391 1 18 . 1 1 105 105 ASN C C 105 178.082 178.082 175.426 2.656 19553 6392 1 18 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.029 2.205 19553 6393 1 18 . 1 1 105 105 ASN CB C 105 39.173 39.173 38.994 0.179 19553 6394 1 18 . 1 1 105 105 ASN H H 105 6.870 6.870 7.646 -0.776 19553 6395 1 18 . 1 1 106 106 VAL N N 106 123.752 123.752 119.519 4.233 19553 6396 1 18 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.779 0.800 19553 6397 1 18 . 1 1 106 106 VAL C C 106 178.463 178.463 176.352 2.111 19553 6398 1 18 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.418 -1.105 19553 6399 1 18 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.358 0.254 19553 6400 1 18 . 1 1 106 106 VAL H H 106 8.774 8.774 8.709 0.065 19553 6401 1 18 . 1 1 107 107 HIS N N 107 116.712 116.712 117.168 -0.456 19553 6402 1 18 . 1 1 107 107 HIS HA H 107 4.590 4.590 5.004 -0.414 19553 6403 1 18 . 1 1 107 107 HIS C C 107 180.421 180.421 175.669 4.752 19553 6404 1 18 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.018 -0.369 19553 6405 1 18 . 1 1 107 107 HIS CB C 107 27.754 27.754 28.263 -0.509 19553 6406 1 18 . 1 1 107 107 HIS H H 107 9.171 9.171 8.293 0.878 19553 6407 1 18 . 1 1 108 108 LYS N N 108 119.379 119.379 117.961 1.418 19553 6408 1 18 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.810 0.308 19553 6409 1 18 . 1 1 108 108 LYS C C 108 181.487 181.487 174.484 7.003 19553 6410 1 18 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.051 -0.493 19553 6411 1 18 . 1 1 108 108 LYS CB C 108 39.349 39.349 37.004 2.345 19553 6412 1 18 . 1 1 108 108 LYS H H 108 7.627 7.627 7.733 -0.106 19553 6413 1 18 . 1 1 109 109 TYR N N 109 114.203 114.203 117.723 -3.520 19553 6414 1 18 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.988 -0.411 19553 6415 1 18 . 1 1 109 109 TYR C C 109 181.588 181.588 172.666 8.922 19553 6416 1 18 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.856 0.511 19553 6417 1 18 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.179 -3.384 19553 6418 1 18 . 1 1 109 109 TYR H H 109 9.006 9.006 8.976 0.030 19553 6419 1 18 . 1 1 110 110 ILE N N 110 119.840 119.840 118.687 1.153 19553 6420 1 18 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.670 0.015 19553 6421 1 18 . 1 1 110 110 ILE C C 110 178.917 178.917 174.934 3.983 19553 6422 1 18 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.149 0.091 19553 6423 1 18 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.540 -0.310 19553 6424 1 18 . 1 1 110 110 ILE H H 110 8.764 8.764 9.116 -0.352 19553 6425 1 18 . 1 1 111 111 ILE N N 111 124.346 124.346 126.781 -2.435 19553 6426 1 18 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.411 -0.079 19553 6427 1 18 . 1 1 111 111 ILE C C 111 175.896 175.896 174.875 1.021 19553 6428 1 18 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.278 0.423 19553 6429 1 18 . 1 1 111 111 ILE CB C 111 39.513 39.513 37.953 1.560 19553 6430 1 18 . 1 1 111 111 ILE H H 111 9.032 9.032 8.540 0.492 19553 6431 1 18 . 1 1 112 112 CYS N N 112 128.772 128.772 128.235 0.537 19553 6432 1 18 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.925 0.156 19553 6433 1 18 . 1 1 112 112 CYS C C 112 178.268 178.268 174.305 3.963 19553 6434 1 18 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.412 -1.170 19553 6435 1 18 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.151 16.804 19553 6436 1 18 . 1 1 112 112 CYS H H 112 8.517 8.517 8.719 -0.202 19553 6437 1 18 . 1 1 113 113 SER N N 113 120.988 120.988 119.385 1.603 19553 6438 1 18 . 1 1 113 113 SER HA H 113 4.996 4.996 4.768 0.228 19553 6439 1 18 . 1 1 113 113 SER C C 113 182.750 182.750 172.530 10.220 19553 6440 1 18 . 1 1 113 113 SER CA C 113 57.517 57.517 57.063 0.454 19553 6441 1 18 . 1 1 113 113 SER CB C 113 65.528 65.528 65.685 -0.157 19553 6442 1 18 . 1 1 113 113 SER H H 113 9.361 9.361 9.248 0.113 19553 6443 1 18 . 1 1 114 114 LYS N N 114 123.657 123.657 128.069 -4.412 19553 6444 1 18 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.177 0.427 19553 6445 1 18 . 1 1 114 114 LYS C C 114 176.524 176.524 175.411 1.113 19553 6446 1 18 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.847 0.014 19553 6447 1 18 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.137 1.246 19553 6448 1 18 . 1 1 114 114 LYS H H 114 8.899 8.899 8.056 0.843 19553 6449 1 18 . 1 1 115 115 SER N N 115 119.515 119.515 123.528 -4.013 19553 6450 1 18 . 1 1 115 115 SER HA H 115 4.589 4.589 4.713 -0.124 19553 6451 1 18 . 1 1 115 115 SER C C 115 178.064 178.064 174.566 3.498 19553 6452 1 18 . 1 1 115 115 SER CA C 115 56.468 56.468 57.247 -0.779 19553 6453 1 18 . 1 1 115 115 SER CB C 115 63.236 63.236 63.825 -0.589 19553 6454 1 18 . 1 1 115 115 SER H H 115 8.560 8.560 8.884 -0.324 19553 6455 1 18 . 1 1 116 116 GLY N N 116 118.606 118.606 115.988 2.618 19553 6456 1 18 . 1 1 116 116 GLY C C 116 178.577 178.577 174.589 3.988 19553 6457 1 18 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.793 0.154 19553 6458 1 18 . 1 1 116 116 GLY H H 116 9.067 9.067 8.691 0.376 19553 6459 1 18 . 1 1 117 117 SER N N 117 121.443 121.443 119.431 2.012 19553 6460 1 18 . 1 1 117 117 SER HA H 117 4.310 4.310 4.617 -0.307 19553 6461 1 18 . 1 1 117 117 SER C C 117 180.107 180.107 173.334 6.773 19553 6462 1 18 . 1 1 117 117 SER CA C 117 58.416 58.416 58.026 0.390 19553 6463 1 18 . 1 1 117 117 SER CB C 117 63.758 63.758 64.044 -0.286 19553 6464 1 18 . 1 1 117 117 SER H H 117 8.908 8.908 8.355 0.553 19553 6465 1 18 . 1 1 118 118 LEU N N 118 123.028 123.028 123.967 -0.939 19553 6466 1 18 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.596 -0.010 19553 6467 1 18 . 1 1 118 118 LEU C C 118 177.894 177.894 174.417 3.477 19553 6468 1 18 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.728 -0.611 19553 6469 1 18 . 1 1 118 118 LEU CB C 118 44.230 44.230 45.707 -1.477 19553 6470 1 18 . 1 1 118 118 LEU H H 118 7.763 7.763 7.887 -0.124 19553 6471 1 18 . 1 1 119 119 TRP N N 119 120.523 120.523 122.427 -1.904 19553 6472 1 18 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.228 -0.010 19553 6473 1 18 . 1 1 119 119 TRP C C 119 177.735 177.735 176.160 1.575 19553 6474 1 18 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.150 0.291 19553 6475 1 18 . 1 1 119 119 TRP CB C 119 32.181 32.181 31.444 0.737 19553 6476 1 18 . 1 1 119 119 TRP H H 119 8.102 8.102 8.639 -0.537 19553 6477 1 18 . 1 1 120 120 TYR N N 120 119.365 119.365 122.682 -3.317 19553 6478 1 18 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.832 0.023 19553 6479 1 18 . 1 1 120 120 TYR C C 120 179.683 179.683 174.657 5.026 19553 6480 1 18 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.702 -1.275 19553 6481 1 18 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.313 0.475 19553 6482 1 18 . 1 1 120 120 TYR H H 120 9.495 9.495 9.463 0.032 19553 6483 1 18 . 1 1 121 121 ILE N N 121 111.471 111.471 119.242 -7.771 19553 6484 1 18 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.602 0.093 19553 6485 1 18 . 1 1 121 121 ILE C C 121 177.137 177.137 175.427 1.710 19553 6486 1 18 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.202 0.064 19553 6487 1 18 . 1 1 121 121 ILE CB C 121 43.191 43.191 42.132 1.060 19553 6488 1 18 . 1 1 121 121 ILE H H 121 8.338 8.338 8.503 -0.165 19553 6489 1 18 . 1 1 122 122 THR N N 122 116.120 116.120 118.180 -2.060 19553 6490 1 18 . 1 1 122 122 THR HA H 122 4.493 4.493 4.521 -0.028 19553 6491 1 18 . 1 1 122 122 THR C C 122 180.251 180.251 172.493 7.758 19553 6492 1 18 . 1 1 122 122 THR CA C 122 61.437 61.437 61.876 -0.439 19553 6493 1 18 . 1 1 122 122 THR CB C 122 71.892 71.892 70.831 1.061 19553 6494 1 18 . 1 1 122 122 THR H H 122 7.796 7.796 8.473 -0.677 19553 6495 1 18 . 1 1 123 123 VAL N N 123 128.072 128.072 127.305 0.767 19553 6496 1 18 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.458 -0.186 19553 6497 1 18 . 1 1 123 123 VAL C C 123 178.576 178.576 174.466 4.110 19553 6498 1 18 . 1 1 123 123 VAL CA C 123 62.958 62.958 60.874 2.084 19553 6499 1 18 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.576 -0.544 19553 6500 1 18 . 1 1 123 123 VAL H H 123 9.009 9.009 8.586 0.423 19553 6501 1 18 . 1 1 124 124 MET N N 124 127.234 127.234 129.822 -2.588 19553 6502 1 18 . 1 1 124 124 MET HA H 124 5.053 5.053 4.834 0.219 19553 6503 1 18 . 1 1 124 124 MET CA C 124 50.145 50.145 51.349 -1.204 19553 6504 1 18 . 1 1 124 124 MET CB C 124 33.625 33.625 34.218 -0.593 19553 6505 1 18 . 1 1 124 124 MET H H 124 8.799 8.799 8.705 0.094 19553 6506 1 18 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.510 0.381 19553 6507 1 18 . 1 1 125 125 PRO C C 125 174.594 174.594 176.083 -1.489 19553 6508 1 18 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.541 -0.978 19553 6509 1 18 . 1 1 125 125 PRO CB C 125 31.310 31.310 31.795 -0.485 19553 6510 1 18 . 1 1 126 126 CYS N N 126 119.444 119.444 124.252 -4.808 19553 6511 1 18 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.719 0.412 19553 6512 1 18 . 1 1 126 126 CYS C C 126 177.425 177.425 174.707 2.718 19553 6513 1 18 . 1 1 126 126 CYS CA C 126 53.556 53.556 57.752 -4.197 19553 6514 1 18 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.839 9.438 19553 6515 1 18 . 1 1 126 126 CYS H H 126 8.355 8.355 8.850 -0.495 19553 6516 1 18 . 1 1 127 127 SER N N 127 117.888 117.888 116.493 1.395 19553 6517 1 18 . 1 1 127 127 SER HA H 127 4.382 4.382 4.436 -0.054 19553 6518 1 18 . 1 1 127 127 SER C C 127 178.499 178.499 174.312 4.187 19553 6519 1 18 . 1 1 127 127 SER CA C 127 59.179 59.179 59.105 0.075 19553 6520 1 18 . 1 1 127 127 SER CB C 127 63.503 63.503 63.707 -0.204 19553 6521 1 18 . 1 1 127 127 SER H H 127 8.255 8.255 8.625 -0.370 19553 6522 1 18 . 1 1 128 128 ILE N N 128 125.176 125.176 124.475 0.701 19553 6523 1 18 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.753 0.235 19553 6524 1 18 . 1 1 128 128 ILE C C 128 176.825 176.825 177.800 -0.975 19553 6525 1 18 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.228 0.079 19553 6526 1 18 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.575 0.050 19553 6527 1 18 . 1 1 128 128 ILE H H 128 8.727 8.727 8.484 0.243 19553 6528 1 18 . 1 1 129 129 GLY N N 129 114.581 114.581 114.978 -0.397 19553 6529 1 18 . 1 1 129 129 GLY C C 129 178.928 178.928 174.307 4.621 19553 6530 1 18 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.146 -0.262 19553 6531 1 18 . 1 1 129 129 GLY H H 129 8.888 8.888 8.550 0.338 19553 6532 1 18 . 1 1 130 130 THR N N 130 110.279 110.279 113.397 -3.118 19553 6533 1 18 . 1 1 130 130 THR HA H 130 5.294 5.294 5.180 0.114 19553 6534 1 18 . 1 1 130 130 THR C C 130 180.377 180.377 173.498 6.879 19553 6535 1 18 . 1 1 130 130 THR CA C 130 60.262 60.262 60.210 0.052 19553 6536 1 18 . 1 1 130 130 THR CB C 130 72.701 72.701 71.725 0.976 19553 6537 1 18 . 1 1 130 130 THR H H 130 8.132 8.132 7.954 0.178 19553 6538 1 18 . 1 1 131 131 LYS N N 131 117.394 117.394 119.693 -2.299 19553 6539 1 18 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.078 -0.249 19553 6540 1 18 . 1 1 131 131 LYS C C 131 179.939 179.939 174.502 5.437 19553 6541 1 18 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.431 -0.378 19553 6542 1 18 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.166 -0.221 19553 6543 1 18 . 1 1 131 131 LYS H H 131 9.579 9.579 9.282 0.297 19553 6544 1 18 . 1 1 132 132 PHE N N 132 123.518 123.518 123.604 -0.086 19553 6545 1 18 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.872 -0.479 19553 6546 1 18 . 1 1 132 132 PHE C C 132 178.908 178.908 175.641 3.267 19553 6547 1 18 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.485 1.441 19553 6548 1 18 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.416 -1.121 19553 6549 1 18 . 1 1 132 132 PHE H H 132 9.347 9.347 8.682 0.665 19553 6550 1 18 . 1 1 133 133 ASP N N 133 130.494 130.494 128.443 2.051 19553 6551 1 18 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.942 0.034 19553 6552 1 18 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.990 -1.139 19553 6553 1 18 . 1 1 133 133 ASP CB C 133 43.416 43.416 42.851 0.565 19553 6554 1 18 . 1 1 133 133 ASP H H 133 8.091 8.091 8.549 -0.458 19553 6555 1 18 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.460 -0.383 19553 6556 1 18 . 1 1 134 134 PRO C C 134 176.646 176.646 177.148 -0.502 19553 6557 1 18 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.897 -1.261 19553 6558 1 18 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.383 0.416 19553 6559 1 18 . 1 1 135 135 ILE N N 135 118.026 118.026 117.324 0.702 19553 6560 1 18 . 1 1 135 135 ILE HA H 135 3.900 3.900 3.990 -0.090 19553 6561 1 18 . 1 1 135 135 ILE C C 135 175.842 175.842 177.717 -1.875 19553 6562 1 18 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.846 0.544 19553 6563 1 18 . 1 1 135 135 ILE CB C 135 35.916 35.916 38.316 -2.400 19553 6564 1 18 . 1 1 135 135 ILE H H 135 7.844 7.844 7.474 0.370 19553 6565 1 18 . 1 1 136 136 SER N N 136 113.845 113.845 115.036 -1.191 19553 6566 1 18 . 1 1 136 136 SER HA H 136 4.144 4.144 4.205 -0.061 19553 6567 1 18 . 1 1 136 136 SER C C 136 178.752 178.752 174.394 4.358 19553 6568 1 18 . 1 1 136 136 SER CA C 136 59.461 59.461 60.555 -1.094 19553 6569 1 18 . 1 1 136 136 SER CB C 136 63.840 63.840 63.546 0.294 19553 6570 1 18 . 1 1 136 136 SER H H 136 7.779 7.779 8.866 -1.087 19553 6571 1 18 . 1 1 137 137 ARG N N 137 116.720 116.720 116.052 0.668 19553 6572 1 18 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.751 -0.520 19553 6573 1 18 . 1 1 137 137 ARG C C 137 180.002 180.002 174.043 5.959 19553 6574 1 18 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.647 0.464 19553 6575 1 18 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.413 -1.210 19553 6576 1 18 . 1 1 137 137 ARG H H 137 7.935 7.935 7.907 0.028 19553 6577 1 18 . 1 1 138 138 ASN N N 138 113.845 113.845 113.923 -0.078 19553 6578 1 18 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.604 0.097 19553 6579 1 18 . 1 1 138 138 ASN C C 138 179.580 179.580 172.611 6.969 19553 6580 1 18 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.324 -0.512 19553 6581 1 18 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.780 0.965 19553 6582 1 18 . 1 1 138 138 ASN H H 138 6.857 6.857 7.018 -0.161 19553 6583 1 18 . 1 1 139 139 CYS N N 139 120.168 120.168 119.987 0.181 19553 6584 1 18 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.283 -0.063 19553 6585 1 18 . 1 1 139 139 CYS C C 139 178.616 178.616 174.916 3.700 19553 6586 1 18 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.003 -1.815 19553 6587 1 18 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.630 13.178 19553 6588 1 18 . 1 1 139 139 CYS H H 139 8.519 8.519 8.467 0.052 19553 6589 1 18 . 1 1 140 140 VAL N N 140 119.928 119.928 121.350 -1.422 19553 6590 1 18 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.666 0.001 19553 6591 1 18 . 1 1 140 140 VAL C C 140 178.299 178.299 174.294 4.005 19553 6592 1 18 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.643 -0.505 19553 6593 1 18 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.214 1.188 19553 6594 1 18 . 1 1 140 140 VAL H H 140 9.531 9.531 9.247 0.284 19553 6595 1 18 . 1 1 141 141 LEU N N 141 121.749 121.749 122.701 -0.952 19553 6596 1 18 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.286 -0.277 19553 6597 1 18 . 1 1 141 141 LEU C C 141 176.847 176.847 175.862 0.985 19553 6598 1 18 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.740 1.102 19553 6599 1 18 . 1 1 141 141 LEU CB C 141 42.202 42.202 42.349 -0.147 19553 6600 1 18 . 1 1 141 141 LEU H H 141 8.363 8.363 8.551 -0.188 19553 6601 1 18 . 1 1 142 142 ASP N N 142 123.416 123.416 128.035 -4.619 19553 6602 1 18 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.756 -0.129 19553 6603 1 18 . 1 1 142 142 ASP C C 142 179.175 179.175 174.551 4.624 19553 6604 1 18 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.026 -0.982 19553 6605 1 18 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.389 -0.647 19553 6606 1 18 . 1 1 142 142 ASP H H 142 8.271 8.271 8.661 -0.390 19553 6607 1 19 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.321 0.200 19553 6608 1 19 . 1 1 76 76 PRO C C 76 176.427 176.427 176.313 0.114 19553 6609 1 19 . 1 1 76 76 PRO CA C 76 63.057 63.057 63.633 -0.576 19553 6610 1 19 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.403 -0.042 19553 6611 1 19 . 1 1 77 77 LEU N N 77 122.647 122.647 120.500 2.147 19553 6612 1 19 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.419 0.010 19553 6613 1 19 . 1 1 77 77 LEU C C 77 175.532 175.532 177.399 -1.867 19553 6614 1 19 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.357 1.293 19553 6615 1 19 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.778 -0.437 19553 6616 1 19 . 1 1 77 77 LEU H H 77 8.571 8.571 7.632 0.939 19553 6617 1 19 . 1 1 78 78 GLY N N 78 110.072 110.072 113.872 -3.800 19553 6618 1 19 . 1 1 78 78 GLY C C 78 179.395 179.395 174.357 5.038 19553 6619 1 19 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.001 0.269 19553 6620 1 19 . 1 1 78 78 GLY H H 78 8.483 8.483 8.104 0.379 19553 6621 1 19 . 1 1 79 79 SER N N 79 115.122 115.122 115.067 0.055 19553 6622 1 19 . 1 1 79 79 SER HA H 79 4.549 4.549 4.017 0.532 19553 6623 1 19 . 1 1 79 79 SER C C 79 179.859 179.859 173.948 5.911 19553 6624 1 19 . 1 1 79 79 SER CA C 79 58.151 58.151 59.582 -1.431 19553 6625 1 19 . 1 1 79 79 SER CB C 79 64.330 64.330 63.509 0.821 19553 6626 1 19 . 1 1 79 79 SER H H 79 8.151 8.151 8.050 0.101 19553 6627 1 19 . 1 1 80 80 ASP N N 80 122.779 122.779 120.303 2.476 19553 6628 1 19 . 1 1 80 80 ASP HA H 80 4.753 4.753 4.968 -0.215 19553 6629 1 19 . 1 1 80 80 ASP C C 80 178.137 178.137 174.612 3.525 19553 6630 1 19 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.889 0.139 19553 6631 1 19 . 1 1 80 80 ASP CB C 80 41.202 41.202 42.228 -1.026 19553 6632 1 19 . 1 1 80 80 ASP H H 80 8.294 8.294 7.637 0.657 19553 6633 1 19 . 1 1 81 81 LEU N N 81 125.106 125.106 125.926 -0.820 19553 6634 1 19 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.777 -0.294 19553 6635 1 19 . 1 1 81 81 LEU C C 81 178.326 178.326 174.982 3.344 19553 6636 1 19 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.283 0.827 19553 6637 1 19 . 1 1 81 81 LEU CB C 81 42.090 42.090 44.345 -2.255 19553 6638 1 19 . 1 1 81 81 LEU H H 81 8.532 8.532 8.711 -0.179 19553 6639 1 19 . 1 1 82 82 ILE N N 82 120.036 120.036 126.000 -5.964 19553 6640 1 19 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.902 -0.082 19553 6641 1 19 . 1 1 82 82 ILE C C 82 177.782 177.782 175.940 1.842 19553 6642 1 19 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.403 -1.229 19553 6643 1 19 . 1 1 82 82 ILE CB C 82 40.919 40.919 38.900 2.019 19553 6644 1 19 . 1 1 82 82 ILE H H 82 7.848 7.848 8.313 -0.465 19553 6645 1 19 . 1 1 83 83 VAL N N 83 119.733 119.733 120.904 -1.171 19553 6646 1 19 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.557 -0.127 19553 6647 1 19 . 1 1 83 83 VAL C C 83 179.809 179.809 174.115 5.694 19553 6648 1 19 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.297 0.156 19553 6649 1 19 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.286 -0.133 19553 6650 1 19 . 1 1 83 83 VAL H H 83 8.511 8.511 8.792 -0.281 19553 6651 1 19 . 1 1 84 84 HIS N N 84 122.907 122.907 119.911 2.996 19553 6652 1 19 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.595 -0.035 19553 6653 1 19 . 1 1 84 84 HIS C C 84 178.593 178.593 174.971 3.622 19553 6654 1 19 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.075 -0.498 19553 6655 1 19 . 1 1 84 84 HIS CB C 84 30.967 30.967 31.531 -0.564 19553 6656 1 19 . 1 1 84 84 HIS H H 84 8.908 8.908 8.447 0.461 19553 6657 1 19 . 1 1 85 85 GLU N N 85 124.766 124.766 125.072 -0.306 19553 6658 1 19 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.678 0.088 19553 6659 1 19 . 1 1 85 85 GLU C C 85 176.641 176.641 176.728 -0.087 19553 6660 1 19 . 1 1 85 85 GLU CA C 85 56.372 56.372 56.131 0.241 19553 6661 1 19 . 1 1 85 85 GLU CB C 85 32.921 32.921 32.253 0.668 19553 6662 1 19 . 1 1 85 85 GLU H H 85 8.979 8.979 9.355 -0.376 19553 6663 1 19 . 1 1 86 86 GLY N N 86 119.987 119.987 113.998 5.989 19553 6664 1 19 . 1 1 86 86 GLY C C 86 178.249 178.249 174.945 3.304 19553 6665 1 19 . 1 1 86 86 GLY CA C 86 47.276 47.276 46.089 1.187 19553 6666 1 19 . 1 1 86 86 GLY H H 86 9.540 9.540 9.160 0.380 19553 6667 1 19 . 1 1 87 87 GLY N N 87 108.242 108.242 105.393 2.849 19553 6668 1 19 . 1 1 87 87 GLY C C 87 179.578 179.578 174.692 4.886 19553 6669 1 19 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.049 -0.108 19553 6670 1 19 . 1 1 87 87 GLY H H 87 8.920 8.920 8.566 0.354 19553 6671 1 19 . 1 1 88 88 LYS N N 88 121.010 121.010 121.906 -0.896 19553 6672 1 19 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.577 0.041 19553 6673 1 19 . 1 1 88 88 LYS C C 88 178.241 178.241 175.506 2.735 19553 6674 1 19 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.449 0.468 19553 6675 1 19 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.968 1.184 19553 6676 1 19 . 1 1 88 88 LYS H H 88 7.858 7.858 7.851 0.007 19553 6677 1 19 . 1 1 89 89 THR N N 89 117.172 117.172 116.830 0.342 19553 6678 1 19 . 1 1 89 89 THR HA H 89 4.691 4.691 5.150 -0.459 19553 6679 1 19 . 1 1 89 89 THR C C 89 180.192 180.192 173.786 6.406 19553 6680 1 19 . 1 1 89 89 THR CA C 89 61.646 61.646 60.896 0.750 19553 6681 1 19 . 1 1 89 89 THR CB C 89 70.339 70.339 69.136 1.203 19553 6682 1 19 . 1 1 89 89 THR H H 89 8.230 8.230 8.282 -0.052 19553 6683 1 19 . 1 1 90 90 TYR N N 90 123.521 123.521 125.618 -2.097 19553 6684 1 19 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.664 0.015 19553 6685 1 19 . 1 1 90 90 TYR C C 90 179.282 179.282 175.176 4.106 19553 6686 1 19 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.978 -0.571 19553 6687 1 19 . 1 1 90 90 TYR CB C 90 40.972 40.972 40.838 0.134 19553 6688 1 19 . 1 1 90 90 TYR H H 90 8.927 8.927 8.649 0.278 19553 6689 1 19 . 1 1 91 91 HIS N N 91 120.999 120.999 121.094 -0.095 19553 6690 1 19 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.021 0.065 19553 6691 1 19 . 1 1 91 91 HIS C C 91 178.719 178.719 174.888 3.831 19553 6692 1 19 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.596 -0.613 19553 6693 1 19 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.566 -2.074 19553 6694 1 19 . 1 1 91 91 HIS H H 91 8.987 8.987 8.719 0.268 19553 6695 1 19 . 1 1 92 92 VAL N N 92 120.849 120.849 125.245 -4.396 19553 6696 1 19 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.297 0.103 19553 6697 1 19 . 1 1 92 92 VAL C C 92 180.110 180.110 174.251 5.859 19553 6698 1 19 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.651 -1.491 19553 6699 1 19 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.336 1.207 19553 6700 1 19 . 1 1 92 92 VAL H H 92 8.677 8.677 9.084 -0.407 19553 6701 1 19 . 1 1 93 93 VAL N N 93 121.626 121.626 127.120 -5.494 19553 6702 1 19 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.544 -0.363 19553 6703 1 19 . 1 1 93 93 VAL C C 93 178.555 178.555 175.226 3.329 19553 6704 1 19 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.838 -0.291 19553 6705 1 19 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.143 0.132 19553 6706 1 19 . 1 1 93 93 VAL H H 93 7.997 7.997 8.342 -0.345 19553 6707 1 19 . 1 1 94 94 CYS N N 94 123.035 123.035 125.762 -2.727 19553 6708 1 19 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.612 -0.219 19553 6709 1 19 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.283 -4.792 19553 6710 1 19 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.397 15.095 19553 6711 1 19 . 1 1 94 94 CYS H H 94 7.890 7.890 8.682 -0.792 19553 6712 1 19 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.262 0.171 19553 6713 1 19 . 1 1 95 95 HIS C C 95 179.991 179.991 174.053 5.938 19553 6714 1 19 . 1 1 95 95 HIS CA C 95 55.411 55.411 57.011 -1.600 19553 6715 1 19 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.658 0.617 19553 6716 1 19 . 1 1 96 96 GLU N N 96 117.019 117.019 117.162 -0.143 19553 6717 1 19 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.767 0.074 19553 6718 1 19 . 1 1 96 96 GLU C C 96 178.360 178.360 174.985 3.375 19553 6719 1 19 . 1 1 96 96 GLU CA C 96 54.440 54.440 54.194 0.246 19553 6720 1 19 . 1 1 96 96 GLU CB C 96 32.505 32.505 31.934 0.571 19553 6721 1 19 . 1 1 96 96 GLU H H 96 7.623 7.623 7.862 -0.239 19553 6722 1 19 . 1 1 97 97 GLU N N 97 121.779 121.779 120.525 1.254 19553 6723 1 19 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.480 -0.037 19553 6724 1 19 . 1 1 97 97 GLU C C 97 176.658 176.658 176.068 0.590 19553 6725 1 19 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.806 1.126 19553 6726 1 19 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.242 0.409 19553 6727 1 19 . 1 1 97 97 GLU H H 97 9.280 9.280 8.781 0.499 19553 6728 1 19 . 1 1 98 98 GLY N N 98 109.900 109.900 110.574 -0.674 19553 6729 1 19 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.332 -0.056 19553 6730 1 19 . 1 1 98 98 GLY H H 98 8.745 8.745 8.622 0.123 19553 6731 1 19 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.472 0.197 19553 6732 1 19 . 1 1 99 99 PRO C C 99 176.795 176.795 176.094 0.701 19553 6733 1 19 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.588 -0.017 19553 6734 1 19 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.868 0.819 19553 6735 1 19 . 1 1 100 100 ILE N N 100 118.686 118.686 117.145 1.541 19553 6736 1 19 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.116 -0.209 19553 6737 1 19 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.216 1.990 19553 6738 1 19 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.101 1.003 19553 6739 1 19 . 1 1 100 100 ILE H H 100 9.748 9.748 9.031 0.717 19553 6740 1 19 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.631 -0.500 19553 6741 1 19 . 1 1 101 101 PRO C C 101 177.525 177.525 176.350 1.175 19553 6742 1 19 . 1 1 101 101 PRO CA C 101 63.083 63.083 63.039 0.044 19553 6743 1 19 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.888 -1.218 19553 6744 1 19 . 1 1 102 102 HIS N N 102 123.222 123.222 119.864 3.358 19553 6745 1 19 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.714 -0.126 19553 6746 1 19 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.136 -1.572 19553 6747 1 19 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.073 -0.203 19553 6748 1 19 . 1 1 102 102 HIS H H 102 8.717 8.717 8.728 -0.011 19553 6749 1 19 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.205 0.076 19553 6750 1 19 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.296 -0.821 19553 6751 1 19 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.665 0.321 19553 6752 1 19 . 1 1 104 104 GLY N N 104 106.530 106.530 106.205 0.325 19553 6753 1 19 . 1 1 104 104 GLY C C 104 180.058 180.058 173.625 6.433 19553 6754 1 19 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.176 0.535 19553 6755 1 19 . 1 1 104 104 GLY H H 104 9.682 9.682 7.017 2.665 19553 6756 1 19 . 1 1 105 105 ASN N N 105 118.099 118.099 116.599 1.500 19553 6757 1 19 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.776 -0.100 19553 6758 1 19 . 1 1 105 105 ASN C C 105 178.082 178.082 175.336 2.746 19553 6759 1 19 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.694 1.540 19553 6760 1 19 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.781 -0.608 19553 6761 1 19 . 1 1 105 105 ASN H H 105 6.870 6.870 7.808 -0.938 19553 6762 1 19 . 1 1 106 106 VAL N N 106 123.752 123.752 118.019 5.733 19553 6763 1 19 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.822 0.757 19553 6764 1 19 . 1 1 106 106 VAL C C 106 178.463 178.463 176.448 2.015 19553 6765 1 19 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.522 -1.209 19553 6766 1 19 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.541 0.071 19553 6767 1 19 . 1 1 106 106 VAL H H 106 8.774 8.774 8.401 0.373 19553 6768 1 19 . 1 1 107 107 HIS N N 107 116.712 116.712 117.242 -0.530 19553 6769 1 19 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.945 -0.355 19553 6770 1 19 . 1 1 107 107 HIS C C 107 180.421 180.421 175.191 5.230 19553 6771 1 19 . 1 1 107 107 HIS CA C 107 56.649 56.649 56.272 0.377 19553 6772 1 19 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.062 -1.308 19553 6773 1 19 . 1 1 107 107 HIS H H 107 9.171 9.171 8.254 0.917 19553 6774 1 19 . 1 1 108 108 LYS N N 108 119.379 119.379 117.155 2.224 19553 6775 1 19 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.871 0.247 19553 6776 1 19 . 1 1 108 108 LYS C C 108 181.487 181.487 174.569 6.918 19553 6777 1 19 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.243 -0.685 19553 6778 1 19 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.981 2.368 19553 6779 1 19 . 1 1 108 108 LYS H H 108 7.627 7.627 7.803 -0.176 19553 6780 1 19 . 1 1 109 109 TYR N N 109 114.203 114.203 117.189 -2.986 19553 6781 1 19 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.927 -0.350 19553 6782 1 19 . 1 1 109 109 TYR C C 109 181.588 181.588 172.817 8.771 19553 6783 1 19 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.836 0.531 19553 6784 1 19 . 1 1 109 109 TYR CB C 109 37.795 37.795 40.973 -3.178 19553 6785 1 19 . 1 1 109 109 TYR H H 109 9.006 9.006 9.230 -0.224 19553 6786 1 19 . 1 1 110 110 ILE N N 110 119.840 119.840 118.122 1.718 19553 6787 1 19 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.622 0.063 19553 6788 1 19 . 1 1 110 110 ILE C C 110 178.917 178.917 174.844 4.073 19553 6789 1 19 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.403 -0.163 19553 6790 1 19 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.926 -0.696 19553 6791 1 19 . 1 1 110 110 ILE H H 110 8.764 8.764 9.092 -0.328 19553 6792 1 19 . 1 1 111 111 ILE N N 111 124.346 124.346 126.678 -2.332 19553 6793 1 19 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.448 -0.116 19553 6794 1 19 . 1 1 111 111 ILE C C 111 175.896 175.896 174.728 1.168 19553 6795 1 19 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.292 0.409 19553 6796 1 19 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.455 1.058 19553 6797 1 19 . 1 1 111 111 ILE H H 111 9.032 9.032 8.762 0.270 19553 6798 1 19 . 1 1 112 112 CYS N N 112 128.772 128.772 128.206 0.566 19553 6799 1 19 . 1 1 112 112 CYS HA H 112 5.081 5.081 5.310 -0.229 19553 6800 1 19 . 1 1 112 112 CYS C C 112 178.268 178.268 174.621 3.647 19553 6801 1 19 . 1 1 112 112 CYS CA C 112 57.242 57.242 57.957 -0.715 19553 6802 1 19 . 1 1 112 112 CYS CB C 112 43.955 43.955 28.361 15.594 19553 6803 1 19 . 1 1 112 112 CYS H H 112 8.517 8.517 8.367 0.150 19553 6804 1 19 . 1 1 113 113 SER N N 113 120.988 120.988 120.390 0.598 19553 6805 1 19 . 1 1 113 113 SER HA H 113 4.996 4.996 4.839 0.157 19553 6806 1 19 . 1 1 113 113 SER C C 113 182.750 182.750 172.451 10.299 19553 6807 1 19 . 1 1 113 113 SER CA C 113 57.517 57.517 57.430 0.087 19553 6808 1 19 . 1 1 113 113 SER CB C 113 65.528 65.528 66.315 -0.787 19553 6809 1 19 . 1 1 113 113 SER H H 113 9.361 9.361 9.591 -0.230 19553 6810 1 19 . 1 1 114 114 LYS N N 114 123.657 123.657 126.394 -2.737 19553 6811 1 19 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.231 0.373 19553 6812 1 19 . 1 1 114 114 LYS C C 114 176.524 176.524 175.854 0.670 19553 6813 1 19 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.956 -0.094 19553 6814 1 19 . 1 1 114 114 LYS CB C 114 34.383 34.383 32.770 1.613 19553 6815 1 19 . 1 1 114 114 LYS H H 114 8.899 8.899 8.335 0.564 19553 6816 1 19 . 1 1 115 115 SER N N 115 119.515 119.515 123.504 -3.989 19553 6817 1 19 . 1 1 115 115 SER HA H 115 4.589 4.589 4.505 0.084 19553 6818 1 19 . 1 1 115 115 SER C C 115 178.064 178.064 174.971 3.093 19553 6819 1 19 . 1 1 115 115 SER CA C 115 56.468 56.468 57.276 -0.808 19553 6820 1 19 . 1 1 115 115 SER CB C 115 63.236 63.236 62.766 0.470 19553 6821 1 19 . 1 1 115 115 SER H H 115 8.560 8.560 8.937 -0.377 19553 6822 1 19 . 1 1 116 116 GLY N N 116 118.606 118.606 117.523 1.083 19553 6823 1 19 . 1 1 116 116 GLY C C 116 178.577 178.577 174.853 3.724 19553 6824 1 19 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.640 0.307 19553 6825 1 19 . 1 1 116 116 GLY H H 116 9.067 9.067 8.181 0.886 19553 6826 1 19 . 1 1 117 117 SER N N 117 121.443 121.443 118.626 2.817 19553 6827 1 19 . 1 1 117 117 SER HA H 117 4.310 4.310 4.630 -0.320 19553 6828 1 19 . 1 1 117 117 SER C C 117 180.107 180.107 173.270 6.837 19553 6829 1 19 . 1 1 117 117 SER CA C 117 58.416 58.416 57.912 0.504 19553 6830 1 19 . 1 1 117 117 SER CB C 117 63.758 63.758 64.491 -0.733 19553 6831 1 19 . 1 1 117 117 SER H H 117 8.908 8.908 8.358 0.550 19553 6832 1 19 . 1 1 118 118 LEU N N 118 123.028 123.028 123.508 -0.480 19553 6833 1 19 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.727 -0.141 19553 6834 1 19 . 1 1 118 118 LEU C C 118 177.894 177.894 173.994 3.900 19553 6835 1 19 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.264 -0.147 19553 6836 1 19 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.813 -0.583 19553 6837 1 19 . 1 1 118 118 LEU H H 118 7.763 7.763 7.580 0.183 19553 6838 1 19 . 1 1 119 119 TRP N N 119 120.523 120.523 125.317 -4.794 19553 6839 1 19 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.230 -0.012 19553 6840 1 19 . 1 1 119 119 TRP C C 119 177.735 177.735 175.903 1.832 19553 6841 1 19 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.544 -0.103 19553 6842 1 19 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.478 1.703 19553 6843 1 19 . 1 1 119 119 TRP H H 119 8.102 8.102 8.587 -0.485 19553 6844 1 19 . 1 1 120 120 TYR N N 120 119.365 119.365 122.568 -3.203 19553 6845 1 19 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.828 0.027 19553 6846 1 19 . 1 1 120 120 TYR C C 120 179.683 179.683 174.951 4.732 19553 6847 1 19 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.736 -1.309 19553 6848 1 19 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.710 0.078 19553 6849 1 19 . 1 1 120 120 TYR H H 120 9.495 9.495 9.587 -0.092 19553 6850 1 19 . 1 1 121 121 ILE N N 121 111.471 111.471 118.372 -6.901 19553 6851 1 19 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.541 0.154 19553 6852 1 19 . 1 1 121 121 ILE C C 121 177.137 177.137 175.618 1.519 19553 6853 1 19 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.310 -0.044 19553 6854 1 19 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.874 1.317 19553 6855 1 19 . 1 1 121 121 ILE H H 121 8.338 8.338 8.434 -0.096 19553 6856 1 19 . 1 1 122 122 THR N N 122 116.120 116.120 119.340 -3.220 19553 6857 1 19 . 1 1 122 122 THR HA H 122 4.493 4.493 4.464 0.029 19553 6858 1 19 . 1 1 122 122 THR C C 122 180.251 180.251 172.260 7.991 19553 6859 1 19 . 1 1 122 122 THR CA C 122 61.437 61.437 62.104 -0.667 19553 6860 1 19 . 1 1 122 122 THR CB C 122 71.892 71.892 70.854 1.038 19553 6861 1 19 . 1 1 122 122 THR H H 122 7.796 7.796 8.509 -0.713 19553 6862 1 19 . 1 1 123 123 VAL N N 123 128.072 128.072 127.045 1.027 19553 6863 1 19 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.481 -0.209 19553 6864 1 19 . 1 1 123 123 VAL C C 123 178.576 178.576 174.522 4.054 19553 6865 1 19 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.341 1.617 19553 6866 1 19 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.672 -0.640 19553 6867 1 19 . 1 1 123 123 VAL H H 123 9.009 9.009 8.455 0.554 19553 6868 1 19 . 1 1 124 124 MET N N 124 127.234 127.234 128.461 -1.227 19553 6869 1 19 . 1 1 124 124 MET HA H 124 5.053 5.053 4.869 0.184 19553 6870 1 19 . 1 1 124 124 MET CA C 124 50.145 50.145 51.224 -1.079 19553 6871 1 19 . 1 1 124 124 MET CB C 124 33.625 33.625 33.605 0.020 19553 6872 1 19 . 1 1 124 124 MET H H 124 8.799 8.799 8.405 0.394 19553 6873 1 19 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.590 0.301 19553 6874 1 19 . 1 1 125 125 PRO C C 125 174.594 174.594 175.976 -1.382 19553 6875 1 19 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.367 -0.803 19553 6876 1 19 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.195 -0.885 19553 6877 1 19 . 1 1 126 126 CYS N N 126 119.444 119.444 123.657 -4.213 19553 6878 1 19 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.757 0.374 19553 6879 1 19 . 1 1 126 126 CYS C C 126 177.425 177.425 174.846 2.579 19553 6880 1 19 . 1 1 126 126 CYS CA C 126 53.556 53.556 57.719 -4.163 19553 6881 1 19 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.653 9.624 19553 6882 1 19 . 1 1 126 126 CYS H H 126 8.355 8.355 8.702 -0.347 19553 6883 1 19 . 1 1 127 127 SER N N 127 117.888 117.888 115.896 1.992 19553 6884 1 19 . 1 1 127 127 SER HA H 127 4.382 4.382 4.446 -0.064 19553 6885 1 19 . 1 1 127 127 SER C C 127 178.499 178.499 174.620 3.879 19553 6886 1 19 . 1 1 127 127 SER CA C 127 59.179 59.179 58.490 0.689 19553 6887 1 19 . 1 1 127 127 SER CB C 127 63.503 63.503 63.989 -0.486 19553 6888 1 19 . 1 1 127 127 SER H H 127 8.255 8.255 8.579 -0.324 19553 6889 1 19 . 1 1 128 128 ILE N N 128 125.176 125.176 125.816 -0.640 19553 6890 1 19 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.776 0.212 19553 6891 1 19 . 1 1 128 128 ILE C C 128 176.825 176.825 177.618 -0.793 19553 6892 1 19 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.227 0.080 19553 6893 1 19 . 1 1 128 128 ILE CB C 128 37.625 37.625 38.016 -0.390 19553 6894 1 19 . 1 1 128 128 ILE H H 128 8.727 8.727 8.469 0.258 19553 6895 1 19 . 1 1 129 129 GLY N N 129 114.581 114.581 114.437 0.144 19553 6896 1 19 . 1 1 129 129 GLY C C 129 178.928 178.928 174.377 4.551 19553 6897 1 19 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.193 -0.309 19553 6898 1 19 . 1 1 129 129 GLY H H 129 8.888 8.888 8.341 0.547 19553 6899 1 19 . 1 1 130 130 THR N N 130 110.279 110.279 113.666 -3.387 19553 6900 1 19 . 1 1 130 130 THR HA H 130 5.294 5.294 5.335 -0.041 19553 6901 1 19 . 1 1 130 130 THR C C 130 180.377 180.377 173.184 7.193 19553 6902 1 19 . 1 1 130 130 THR CA C 130 60.262 60.262 60.241 0.021 19553 6903 1 19 . 1 1 130 130 THR CB C 130 72.701 72.701 71.972 0.729 19553 6904 1 19 . 1 1 130 130 THR H H 130 8.132 8.132 7.656 0.476 19553 6905 1 19 . 1 1 131 131 LYS N N 131 117.394 117.394 119.272 -1.878 19553 6906 1 19 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.244 -0.415 19553 6907 1 19 . 1 1 131 131 LYS C C 131 179.939 179.939 174.734 5.205 19553 6908 1 19 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.350 -0.297 19553 6909 1 19 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.137 -0.192 19553 6910 1 19 . 1 1 131 131 LYS H H 131 9.579 9.579 9.129 0.450 19553 6911 1 19 . 1 1 132 132 PHE N N 132 123.518 123.518 123.885 -0.367 19553 6912 1 19 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.856 -0.463 19553 6913 1 19 . 1 1 132 132 PHE C C 132 178.908 178.908 175.028 3.880 19553 6914 1 19 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.481 1.445 19553 6915 1 19 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.729 -1.434 19553 6916 1 19 . 1 1 132 132 PHE H H 132 9.347 9.347 8.863 0.484 19553 6917 1 19 . 1 1 133 133 ASP N N 133 130.494 130.494 127.665 2.829 19553 6918 1 19 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.978 -0.002 19553 6919 1 19 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.898 -1.046 19553 6920 1 19 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.250 0.166 19553 6921 1 19 . 1 1 133 133 ASP H H 133 8.091 8.091 8.341 -0.250 19553 6922 1 19 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.473 -0.396 19553 6923 1 19 . 1 1 134 134 PRO C C 134 176.646 176.646 177.194 -0.548 19553 6924 1 19 . 1 1 134 134 PRO CA C 134 63.636 63.636 65.033 -1.397 19553 6925 1 19 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.404 0.396 19553 6926 1 19 . 1 1 135 135 ILE N N 135 118.026 118.026 116.200 1.826 19553 6927 1 19 . 1 1 135 135 ILE HA H 135 3.900 3.900 3.990 -0.090 19553 6928 1 19 . 1 1 135 135 ILE C C 135 175.842 175.842 177.244 -1.402 19553 6929 1 19 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.769 0.621 19553 6930 1 19 . 1 1 135 135 ILE CB C 135 35.916 35.916 38.350 -2.434 19553 6931 1 19 . 1 1 135 135 ILE H H 135 7.844 7.844 7.605 0.239 19553 6932 1 19 . 1 1 136 136 SER N N 136 113.845 113.845 114.014 -0.169 19553 6933 1 19 . 1 1 136 136 SER HA H 136 4.144 4.144 4.254 -0.110 19553 6934 1 19 . 1 1 136 136 SER C C 136 178.752 178.752 174.251 4.501 19553 6935 1 19 . 1 1 136 136 SER CA C 136 59.461 59.461 60.071 -0.610 19553 6936 1 19 . 1 1 136 136 SER CB C 136 63.840 63.840 63.776 0.064 19553 6937 1 19 . 1 1 136 136 SER H H 136 7.779 7.779 8.997 -1.218 19553 6938 1 19 . 1 1 137 137 ARG N N 137 116.720 116.720 117.495 -0.775 19553 6939 1 19 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.687 -0.456 19553 6940 1 19 . 1 1 137 137 ARG C C 137 180.002 180.002 173.977 6.025 19553 6941 1 19 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.246 0.864 19553 6942 1 19 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.482 -1.279 19553 6943 1 19 . 1 1 137 137 ARG H H 137 7.935 7.935 7.736 0.199 19553 6944 1 19 . 1 1 138 138 ASN N N 138 113.845 113.845 113.015 0.830 19553 6945 1 19 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.475 0.226 19553 6946 1 19 . 1 1 138 138 ASN C C 138 179.580 179.580 172.380 7.200 19553 6947 1 19 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.640 -0.828 19553 6948 1 19 . 1 1 138 138 ASN CB C 138 41.745 41.745 41.132 0.613 19553 6949 1 19 . 1 1 138 138 ASN H H 138 6.857 6.857 6.940 -0.083 19553 6950 1 19 . 1 1 139 139 CYS N N 139 120.168 120.168 119.716 0.452 19553 6951 1 19 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.273 -0.053 19553 6952 1 19 . 1 1 139 139 CYS C C 139 178.616 178.616 175.424 3.192 19553 6953 1 19 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.039 -1.851 19553 6954 1 19 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.311 13.497 19553 6955 1 19 . 1 1 139 139 CYS H H 139 8.519 8.519 8.487 0.032 19553 6956 1 19 . 1 1 140 140 VAL N N 140 119.928 119.928 120.461 -0.533 19553 6957 1 19 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.594 0.073 19553 6958 1 19 . 1 1 140 140 VAL C C 140 178.299 178.299 174.887 3.412 19553 6959 1 19 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.618 -0.480 19553 6960 1 19 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.119 1.283 19553 6961 1 19 . 1 1 140 140 VAL H H 140 9.531 9.531 9.239 0.292 19553 6962 1 19 . 1 1 141 141 LEU N N 141 121.749 121.749 123.825 -2.076 19553 6963 1 19 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.237 -0.228 19553 6964 1 19 . 1 1 141 141 LEU C C 141 176.847 176.847 176.156 0.691 19553 6965 1 19 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.462 1.381 19553 6966 1 19 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.073 1.129 19553 6967 1 19 . 1 1 141 141 LEU H H 141 8.363 8.363 8.601 -0.238 19553 6968 1 19 . 1 1 142 142 ASP N N 142 123.416 123.416 128.955 -5.539 19553 6969 1 19 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.633 -0.006 19553 6970 1 19 . 1 1 142 142 ASP C C 142 179.175 179.175 174.880 4.295 19553 6971 1 19 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.367 -1.323 19553 6972 1 19 . 1 1 142 142 ASP CB C 142 40.741 40.741 40.640 0.101 19553 6973 1 19 . 1 1 142 142 ASP H H 142 8.271 8.271 8.591 -0.320 19553 6974 1 20 . 1 1 76 76 PRO HA H 76 4.521 4.521 4.409 0.112 19553 6975 1 20 . 1 1 76 76 PRO C C 76 176.427 176.427 176.342 0.085 19553 6976 1 20 . 1 1 76 76 PRO CA C 76 63.057 63.057 63.391 -0.334 19553 6977 1 20 . 1 1 76 76 PRO CB C 76 32.361 32.361 32.230 0.131 19553 6978 1 20 . 1 1 77 77 LEU N N 77 122.647 122.647 118.750 3.897 19553 6979 1 20 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.544 -0.115 19553 6980 1 20 . 1 1 77 77 LEU C C 77 175.532 175.532 176.671 -1.139 19553 6981 1 20 . 1 1 77 77 LEU CA C 77 55.650 55.650 53.868 1.782 19553 6982 1 20 . 1 1 77 77 LEU CB C 77 42.341 42.341 44.226 -1.885 19553 6983 1 20 . 1 1 77 77 LEU H H 77 8.571 8.571 7.501 1.070 19553 6984 1 20 . 1 1 78 78 GLY N N 78 110.072 110.072 107.938 2.134 19553 6985 1 20 . 1 1 78 78 GLY C C 78 179.395 179.395 175.743 3.652 19553 6986 1 20 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.626 -0.356 19553 6987 1 20 . 1 1 78 78 GLY H H 78 8.483 8.483 8.570 -0.087 19553 6988 1 20 . 1 1 79 79 SER N N 79 115.122 115.122 116.401 -1.279 19553 6989 1 20 . 1 1 79 79 SER HA H 79 4.549 4.549 4.195 0.354 19553 6990 1 20 . 1 1 79 79 SER C C 79 179.859 179.859 173.565 6.294 19553 6991 1 20 . 1 1 79 79 SER CA C 79 58.151 58.151 60.163 -2.012 19553 6992 1 20 . 1 1 79 79 SER CB C 79 64.330 64.330 63.139 1.192 19553 6993 1 20 . 1 1 79 79 SER H H 79 8.151 8.151 8.118 0.033 19553 6994 1 20 . 1 1 80 80 ASP N N 80 122.779 122.779 116.432 6.347 19553 6995 1 20 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.133 -0.380 19553 6996 1 20 . 1 1 80 80 ASP C C 80 178.137 178.137 174.741 3.396 19553 6997 1 20 . 1 1 80 80 ASP CA C 80 54.028 54.028 52.901 1.127 19553 6998 1 20 . 1 1 80 80 ASP CB C 80 41.202 41.202 43.257 -2.055 19553 6999 1 20 . 1 1 80 80 ASP H H 80 8.294 8.294 7.665 0.629 19553 7000 1 20 . 1 1 81 81 LEU N N 81 125.106 125.106 123.748 1.358 19553 7001 1 20 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.733 -0.250 19553 7002 1 20 . 1 1 81 81 LEU C C 81 178.326 178.326 175.225 3.101 19553 7003 1 20 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.139 0.971 19553 7004 1 20 . 1 1 81 81 LEU CB C 81 42.090 42.090 44.472 -2.382 19553 7005 1 20 . 1 1 81 81 LEU H H 81 8.532 8.532 8.427 0.105 19553 7006 1 20 . 1 1 82 82 ILE N N 82 120.036 120.036 124.636 -4.600 19553 7007 1 20 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.762 0.058 19553 7008 1 20 . 1 1 82 82 ILE C C 82 177.782 177.782 175.933 1.849 19553 7009 1 20 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.332 -1.158 19553 7010 1 20 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.119 1.800 19553 7011 1 20 . 1 1 82 82 ILE H H 82 7.848 7.848 8.298 -0.450 19553 7012 1 20 . 1 1 83 83 VAL N N 83 119.733 119.733 120.729 -0.996 19553 7013 1 20 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.676 -0.246 19553 7014 1 20 . 1 1 83 83 VAL C C 83 179.809 179.809 174.196 5.613 19553 7015 1 20 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.335 0.118 19553 7016 1 20 . 1 1 83 83 VAL CB C 83 35.153 35.153 36.027 -0.874 19553 7017 1 20 . 1 1 83 83 VAL H H 83 8.511 8.511 8.769 -0.258 19553 7018 1 20 . 1 1 84 84 HIS N N 84 122.907 122.907 122.752 0.155 19553 7019 1 20 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.528 0.032 19553 7020 1 20 . 1 1 84 84 HIS C C 84 178.593 178.593 174.889 3.704 19553 7021 1 20 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.109 -0.532 19553 7022 1 20 . 1 1 84 84 HIS CB C 84 30.967 30.967 30.433 0.534 19553 7023 1 20 . 1 1 84 84 HIS H H 84 8.908 8.908 8.724 0.184 19553 7024 1 20 . 1 1 85 85 GLU N N 85 124.766 124.766 124.932 -0.166 19553 7025 1 20 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.566 0.200 19553 7026 1 20 . 1 1 85 85 GLU C C 85 176.641 176.641 177.197 -0.556 19553 7027 1 20 . 1 1 85 85 GLU CA C 85 56.372 56.372 54.940 1.432 19553 7028 1 20 . 1 1 85 85 GLU CB C 85 32.921 32.921 30.070 2.851 19553 7029 1 20 . 1 1 85 85 GLU H H 85 8.979 8.979 9.074 -0.095 19553 7030 1 20 . 1 1 86 86 GLY N N 86 119.987 119.987 115.033 4.954 19553 7031 1 20 . 1 1 86 86 GLY C C 86 178.249 178.249 174.715 3.534 19553 7032 1 20 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.538 1.738 19553 7033 1 20 . 1 1 86 86 GLY H H 86 9.540 9.540 9.115 0.425 19553 7034 1 20 . 1 1 87 87 GLY N N 87 108.242 108.242 105.122 3.120 19553 7035 1 20 . 1 1 87 87 GLY C C 87 179.578 179.578 174.907 4.671 19553 7036 1 20 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.060 -0.119 19553 7037 1 20 . 1 1 87 87 GLY H H 87 8.920 8.920 8.644 0.276 19553 7038 1 20 . 1 1 88 88 LYS N N 88 121.010 121.010 122.758 -1.748 19553 7039 1 20 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.537 0.081 19553 7040 1 20 . 1 1 88 88 LYS C C 88 178.241 178.241 175.684 2.557 19553 7041 1 20 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.534 0.383 19553 7042 1 20 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.454 1.698 19553 7043 1 20 . 1 1 88 88 LYS H H 88 7.858 7.858 7.719 0.139 19553 7044 1 20 . 1 1 89 89 THR N N 89 117.172 117.172 116.371 0.801 19553 7045 1 20 . 1 1 89 89 THR HA H 89 4.691 4.691 5.056 -0.365 19553 7046 1 20 . 1 1 89 89 THR C C 89 180.192 180.192 174.091 6.101 19553 7047 1 20 . 1 1 89 89 THR CA C 89 61.646 61.646 61.077 0.569 19553 7048 1 20 . 1 1 89 89 THR CB C 89 70.339 70.339 69.385 0.954 19553 7049 1 20 . 1 1 89 89 THR H H 89 8.230 8.230 8.177 0.053 19553 7050 1 20 . 1 1 90 90 TYR N N 90 123.521 123.521 124.914 -1.393 19553 7051 1 20 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.711 -0.032 19553 7052 1 20 . 1 1 90 90 TYR C C 90 179.282 179.282 174.607 4.675 19553 7053 1 20 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.266 0.141 19553 7054 1 20 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.921 -1.949 19553 7055 1 20 . 1 1 90 90 TYR H H 90 8.927 8.927 9.130 -0.203 19553 7056 1 20 . 1 1 91 91 HIS N N 91 120.999 120.999 121.581 -0.582 19553 7057 1 20 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.044 0.042 19553 7058 1 20 . 1 1 91 91 HIS C C 91 178.719 178.719 174.860 3.859 19553 7059 1 20 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.567 -0.584 19553 7060 1 20 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.857 -2.365 19553 7061 1 20 . 1 1 91 91 HIS H H 91 8.987 8.987 8.640 0.347 19553 7062 1 20 . 1 1 92 92 VAL N N 92 120.849 120.849 124.931 -4.082 19553 7063 1 20 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.221 0.179 19553 7064 1 20 . 1 1 92 92 VAL C C 92 180.110 180.110 174.172 5.938 19553 7065 1 20 . 1 1 92 92 VAL CA C 92 60.160 60.160 60.760 -0.600 19553 7066 1 20 . 1 1 92 92 VAL CB C 92 34.543 34.543 32.440 2.103 19553 7067 1 20 . 1 1 92 92 VAL H H 92 8.677 8.677 9.023 -0.346 19553 7068 1 20 . 1 1 93 93 VAL N N 93 121.626 121.626 126.436 -4.810 19553 7069 1 20 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.376 -0.195 19553 7070 1 20 . 1 1 93 93 VAL C C 93 178.555 178.555 175.515 3.040 19553 7071 1 20 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.912 -0.365 19553 7072 1 20 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.301 -0.026 19553 7073 1 20 . 1 1 93 93 VAL H H 93 7.997 7.997 8.261 -0.264 19553 7074 1 20 . 1 1 94 94 CYS N N 94 123.035 123.035 126.716 -3.681 19553 7075 1 20 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.503 -0.110 19553 7076 1 20 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.197 -4.705 19553 7077 1 20 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.390 15.102 19553 7078 1 20 . 1 1 94 94 CYS H H 94 7.890 7.890 8.569 -0.679 19553 7079 1 20 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.598 -0.165 19553 7080 1 20 . 1 1 95 95 HIS C C 95 179.991 179.991 175.251 4.740 19553 7081 1 20 . 1 1 95 95 HIS CA C 95 55.411 55.411 57.681 -2.271 19553 7082 1 20 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.853 0.422 19553 7083 1 20 . 1 1 96 96 GLU N N 96 117.019 117.019 118.129 -1.110 19553 7084 1 20 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.845 -0.004 19553 7085 1 20 . 1 1 96 96 GLU C C 96 178.360 178.360 174.857 3.503 19553 7086 1 20 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.469 -1.029 19553 7087 1 20 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.953 -0.448 19553 7088 1 20 . 1 1 96 96 GLU H H 96 7.623 7.623 8.093 -0.470 19553 7089 1 20 . 1 1 97 97 GLU N N 97 121.779 121.779 119.863 1.916 19553 7090 1 20 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.520 -0.077 19553 7091 1 20 . 1 1 97 97 GLU C C 97 176.658 176.658 176.413 0.245 19553 7092 1 20 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.719 1.213 19553 7093 1 20 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.087 0.564 19553 7094 1 20 . 1 1 97 97 GLU H H 97 9.280 9.280 8.820 0.460 19553 7095 1 20 . 1 1 98 98 GLY N N 98 109.900 109.900 110.796 -0.896 19553 7096 1 20 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.268 0.008 19553 7097 1 20 . 1 1 98 98 GLY H H 98 8.745 8.745 8.545 0.200 19553 7098 1 20 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.473 0.196 19553 7099 1 20 . 1 1 99 99 PRO C C 99 176.795 176.795 176.091 0.704 19553 7100 1 20 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.629 -0.058 19553 7101 1 20 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.715 0.972 19553 7102 1 20 . 1 1 100 100 ILE N N 100 118.686 118.686 117.338 1.348 19553 7103 1 20 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.126 -0.219 19553 7104 1 20 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.276 1.931 19553 7105 1 20 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.268 0.836 19553 7106 1 20 . 1 1 100 100 ILE H H 100 9.748 9.748 9.027 0.721 19553 7107 1 20 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.480 -0.349 19553 7108 1 20 . 1 1 101 101 PRO C C 101 177.525 177.525 176.398 1.127 19553 7109 1 20 . 1 1 101 101 PRO CA C 101 63.083 63.083 63.023 0.060 19553 7110 1 20 . 1 1 101 101 PRO CB C 101 31.670 31.670 33.018 -1.348 19553 7111 1 20 . 1 1 102 102 HIS N N 102 123.222 123.222 119.626 3.596 19553 7112 1 20 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.672 -0.084 19553 7113 1 20 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.270 -1.706 19553 7114 1 20 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.306 -0.435 19553 7115 1 20 . 1 1 102 102 HIS H H 102 8.717 8.717 8.467 0.250 19553 7116 1 20 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.263 0.018 19553 7117 1 20 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.553 -1.079 19553 7118 1 20 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.900 0.086 19553 7119 1 20 . 1 1 104 104 GLY N N 104 106.530 106.530 106.628 -0.098 19553 7120 1 20 . 1 1 104 104 GLY C C 104 180.058 180.058 174.129 5.929 19553 7121 1 20 . 1 1 104 104 GLY CA C 104 44.711 44.711 45.090 -0.379 19553 7122 1 20 . 1 1 104 104 GLY H H 104 9.682 9.682 8.160 1.522 19553 7123 1 20 . 1 1 105 105 ASN N N 105 118.099 118.099 119.341 -1.242 19553 7124 1 20 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.775 -0.099 19553 7125 1 20 . 1 1 105 105 ASN C C 105 178.082 178.082 175.433 2.649 19553 7126 1 20 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.254 1.980 19553 7127 1 20 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.269 -0.096 19553 7128 1 20 . 1 1 105 105 ASN H H 105 6.870 6.870 7.647 -0.777 19553 7129 1 20 . 1 1 106 106 VAL N N 106 123.752 123.752 125.579 -1.827 19553 7130 1 20 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.808 0.771 19553 7131 1 20 . 1 1 106 106 VAL C C 106 178.463 178.463 176.465 1.998 19553 7132 1 20 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.160 -0.847 19553 7133 1 20 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.803 -0.191 19553 7134 1 20 . 1 1 106 106 VAL H H 106 8.774 8.774 8.877 -0.103 19553 7135 1 20 . 1 1 107 107 HIS N N 107 116.712 116.712 116.794 -0.082 19553 7136 1 20 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.768 -0.178 19553 7137 1 20 . 1 1 107 107 HIS C C 107 180.421 180.421 175.794 4.627 19553 7138 1 20 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.318 -0.669 19553 7139 1 20 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.438 -1.684 19553 7140 1 20 . 1 1 107 107 HIS H H 107 9.171 9.171 8.225 0.946 19553 7141 1 20 . 1 1 108 108 LYS N N 108 119.379 119.379 117.040 2.339 19553 7142 1 20 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.870 0.248 19553 7143 1 20 . 1 1 108 108 LYS C C 108 181.487 181.487 174.455 7.032 19553 7144 1 20 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.228 -0.670 19553 7145 1 20 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.786 2.563 19553 7146 1 20 . 1 1 108 108 LYS H H 108 7.627 7.627 7.724 -0.097 19553 7147 1 20 . 1 1 109 109 TYR N N 109 114.203 114.203 116.976 -2.773 19553 7148 1 20 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.824 -0.247 19553 7149 1 20 . 1 1 109 109 TYR C C 109 181.588 181.588 172.859 8.729 19553 7150 1 20 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.834 0.533 19553 7151 1 20 . 1 1 109 109 TYR CB C 109 37.795 37.795 40.851 -3.056 19553 7152 1 20 . 1 1 109 109 TYR H H 109 9.006 9.006 9.112 -0.106 19553 7153 1 20 . 1 1 110 110 ILE N N 110 119.840 119.840 117.838 2.002 19553 7154 1 20 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.579 0.106 19553 7155 1 20 . 1 1 110 110 ILE C C 110 178.917 178.917 174.839 4.078 19553 7156 1 20 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.449 -0.209 19553 7157 1 20 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.742 -0.512 19553 7158 1 20 . 1 1 110 110 ILE H H 110 8.764 8.764 9.015 -0.251 19553 7159 1 20 . 1 1 111 111 ILE N N 111 124.346 124.346 126.518 -2.172 19553 7160 1 20 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.467 -0.135 19553 7161 1 20 . 1 1 111 111 ILE C C 111 175.896 175.896 174.840 1.056 19553 7162 1 20 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.232 0.469 19553 7163 1 20 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.336 1.177 19553 7164 1 20 . 1 1 111 111 ILE H H 111 9.032 9.032 8.727 0.305 19553 7165 1 20 . 1 1 112 112 CYS N N 112 128.772 128.772 128.824 -0.052 19553 7166 1 20 . 1 1 112 112 CYS HA H 112 5.081 5.081 4.949 0.132 19553 7167 1 20 . 1 1 112 112 CYS C C 112 178.268 178.268 174.669 3.599 19553 7168 1 20 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.488 -1.246 19553 7169 1 20 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.428 16.527 19553 7170 1 20 . 1 1 112 112 CYS H H 112 8.517 8.517 8.380 0.137 19553 7171 1 20 . 1 1 113 113 SER N N 113 120.988 120.988 120.963 0.025 19553 7172 1 20 . 1 1 113 113 SER HA H 113 4.996 4.996 4.926 0.070 19553 7173 1 20 . 1 1 113 113 SER C C 113 182.750 182.750 172.673 10.077 19553 7174 1 20 . 1 1 113 113 SER CA C 113 57.517 57.517 57.496 0.021 19553 7175 1 20 . 1 1 113 113 SER CB C 113 65.528 65.528 66.036 -0.508 19553 7176 1 20 . 1 1 113 113 SER H H 113 9.361 9.361 9.393 -0.032 19553 7177 1 20 . 1 1 114 114 LYS N N 114 123.657 123.657 126.837 -3.180 19553 7178 1 20 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.611 -0.007 19553 7179 1 20 . 1 1 114 114 LYS C C 114 176.524 176.524 176.358 0.166 19553 7180 1 20 . 1 1 114 114 LYS CA C 114 54.862 54.862 55.084 -0.222 19553 7181 1 20 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.666 0.716 19553 7182 1 20 . 1 1 114 114 LYS H H 114 8.899 8.899 8.800 0.099 19553 7183 1 20 . 1 1 115 115 SER N N 115 119.515 119.515 124.462 -4.947 19553 7184 1 20 . 1 1 115 115 SER HA H 115 4.589 4.589 4.556 0.033 19553 7185 1 20 . 1 1 115 115 SER C C 115 178.064 178.064 175.226 2.838 19553 7186 1 20 . 1 1 115 115 SER CA C 115 56.468 56.468 57.615 -1.147 19553 7187 1 20 . 1 1 115 115 SER CB C 115 63.236 63.236 62.619 0.617 19553 7188 1 20 . 1 1 115 115 SER H H 115 8.560 8.560 9.088 -0.528 19553 7189 1 20 . 1 1 116 116 GLY N N 116 118.606 118.606 117.502 1.104 19553 7190 1 20 . 1 1 116 116 GLY C C 116 178.577 178.577 174.334 4.243 19553 7191 1 20 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.553 0.394 19553 7192 1 20 . 1 1 116 116 GLY H H 116 9.067 9.067 8.251 0.816 19553 7193 1 20 . 1 1 117 117 SER N N 117 121.443 121.443 118.591 2.852 19553 7194 1 20 . 1 1 117 117 SER HA H 117 4.310 4.310 4.429 -0.119 19553 7195 1 20 . 1 1 117 117 SER C C 117 180.107 180.107 173.621 6.486 19553 7196 1 20 . 1 1 117 117 SER CA C 117 58.416 58.416 57.856 0.560 19553 7197 1 20 . 1 1 117 117 SER CB C 117 63.758 63.758 64.806 -1.048 19553 7198 1 20 . 1 1 117 117 SER H H 117 8.908 8.908 8.296 0.612 19553 7199 1 20 . 1 1 118 118 LEU N N 118 123.028 123.028 123.566 -0.538 19553 7200 1 20 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.639 -0.053 19553 7201 1 20 . 1 1 118 118 LEU C C 118 177.894 177.894 174.008 3.886 19553 7202 1 20 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.432 -0.315 19553 7203 1 20 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.842 -0.612 19553 7204 1 20 . 1 1 118 118 LEU H H 118 7.763 7.763 7.455 0.308 19553 7205 1 20 . 1 1 119 119 TRP N N 119 120.523 120.523 125.027 -4.504 19553 7206 1 20 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.191 0.027 19553 7207 1 20 . 1 1 119 119 TRP C C 119 177.735 177.735 176.064 1.671 19553 7208 1 20 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.580 -0.138 19553 7209 1 20 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.359 1.822 19553 7210 1 20 . 1 1 119 119 TRP H H 119 8.102 8.102 8.324 -0.222 19553 7211 1 20 . 1 1 120 120 TYR N N 120 119.365 119.365 123.232 -3.867 19553 7212 1 20 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.866 -0.011 19553 7213 1 20 . 1 1 120 120 TYR C C 120 179.683 179.683 175.038 4.645 19553 7214 1 20 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.489 -1.062 19553 7215 1 20 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.742 0.046 19553 7216 1 20 . 1 1 120 120 TYR H H 120 9.495 9.495 9.561 -0.066 19553 7217 1 20 . 1 1 121 121 ILE N N 121 111.471 111.471 119.911 -8.440 19553 7218 1 20 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.623 0.072 19553 7219 1 20 . 1 1 121 121 ILE C C 121 177.137 177.137 175.114 2.023 19553 7220 1 20 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.889 -0.623 19553 7221 1 20 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.750 1.441 19553 7222 1 20 . 1 1 121 121 ILE H H 121 8.338 8.338 8.431 -0.093 19553 7223 1 20 . 1 1 122 122 THR N N 122 116.120 116.120 121.925 -5.805 19553 7224 1 20 . 1 1 122 122 THR HA H 122 4.493 4.493 4.632 -0.139 19553 7225 1 20 . 1 1 122 122 THR C C 122 180.251 180.251 172.738 7.513 19553 7226 1 20 . 1 1 122 122 THR CA C 122 61.437 61.437 61.870 -0.433 19553 7227 1 20 . 1 1 122 122 THR CB C 122 71.892 71.892 71.645 0.247 19553 7228 1 20 . 1 1 122 122 THR H H 122 7.796 7.796 8.311 -0.515 19553 7229 1 20 . 1 1 123 123 VAL N N 123 128.072 128.072 128.034 0.038 19553 7230 1 20 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.462 -0.190 19553 7231 1 20 . 1 1 123 123 VAL C C 123 178.576 178.576 174.917 3.659 19553 7232 1 20 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.366 1.592 19553 7233 1 20 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.717 -0.685 19553 7234 1 20 . 1 1 123 123 VAL H H 123 9.009 9.009 8.556 0.453 19553 7235 1 20 . 1 1 124 124 MET N N 124 127.234 127.234 128.738 -1.504 19553 7236 1 20 . 1 1 124 124 MET HA H 124 5.053 5.053 4.891 0.162 19553 7237 1 20 . 1 1 124 124 MET CA C 124 50.145 50.145 51.345 -1.200 19553 7238 1 20 . 1 1 124 124 MET CB C 124 33.625 33.625 34.093 -0.468 19553 7239 1 20 . 1 1 124 124 MET H H 124 8.799 8.799 8.315 0.484 19553 7240 1 20 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.730 0.161 19553 7241 1 20 . 1 1 125 125 PRO C C 125 174.594 174.594 176.169 -1.575 19553 7242 1 20 . 1 1 125 125 PRO CA C 125 61.564 61.564 61.942 -0.378 19553 7243 1 20 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.655 -1.345 19553 7244 1 20 . 1 1 126 126 CYS N N 126 119.444 119.444 120.510 -1.066 19553 7245 1 20 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.653 0.478 19553 7246 1 20 . 1 1 126 126 CYS C C 126 177.425 177.425 175.498 1.927 19553 7247 1 20 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.892 -5.335 19553 7248 1 20 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.131 10.146 19553 7249 1 20 . 1 1 126 126 CYS H H 126 8.355 8.355 8.672 -0.317 19553 7250 1 20 . 1 1 127 127 SER N N 127 117.888 117.888 116.358 1.530 19553 7251 1 20 . 1 1 127 127 SER HA H 127 4.382 4.382 4.322 0.060 19553 7252 1 20 . 1 1 127 127 SER C C 127 178.499 178.499 174.389 4.110 19553 7253 1 20 . 1 1 127 127 SER CA C 127 59.179 59.179 57.502 1.677 19553 7254 1 20 . 1 1 127 127 SER CB C 127 63.503 63.503 63.398 0.105 19553 7255 1 20 . 1 1 127 127 SER H H 127 8.255 8.255 8.565 -0.310 19553 7256 1 20 . 1 1 128 128 ILE N N 128 125.176 125.176 124.264 0.912 19553 7257 1 20 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.819 0.169 19553 7258 1 20 . 1 1 128 128 ILE C C 128 176.825 176.825 177.362 -0.537 19553 7259 1 20 . 1 1 128 128 ILE CA C 128 63.307 63.307 62.968 0.339 19553 7260 1 20 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.153 0.472 19553 7261 1 20 . 1 1 128 128 ILE H H 128 8.727 8.727 8.469 0.258 19553 7262 1 20 . 1 1 129 129 GLY N N 129 114.581 114.581 115.297 -0.716 19553 7263 1 20 . 1 1 129 129 GLY C C 129 178.928 178.928 174.164 4.764 19553 7264 1 20 . 1 1 129 129 GLY CA C 129 44.884 44.884 44.912 -0.028 19553 7265 1 20 . 1 1 129 129 GLY H H 129 8.888 8.888 8.397 0.491 19553 7266 1 20 . 1 1 130 130 THR N N 130 110.279 110.279 112.368 -2.089 19553 7267 1 20 . 1 1 130 130 THR HA H 130 5.294 5.294 5.247 0.047 19553 7268 1 20 . 1 1 130 130 THR C C 130 180.377 180.377 172.854 7.523 19553 7269 1 20 . 1 1 130 130 THR CA C 130 60.262 60.262 60.347 -0.085 19553 7270 1 20 . 1 1 130 130 THR CB C 130 72.701 72.701 72.330 0.371 19553 7271 1 20 . 1 1 130 130 THR H H 130 8.132 8.132 7.853 0.279 19553 7272 1 20 . 1 1 131 131 LYS N N 131 117.394 117.394 118.439 -1.045 19553 7273 1 20 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.194 -0.365 19553 7274 1 20 . 1 1 131 131 LYS C C 131 179.939 179.939 174.644 5.295 19553 7275 1 20 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.330 -0.276 19553 7276 1 20 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.067 -0.122 19553 7277 1 20 . 1 1 131 131 LYS H H 131 9.579 9.579 9.087 0.492 19553 7278 1 20 . 1 1 132 132 PHE N N 132 123.518 123.518 123.813 -0.295 19553 7279 1 20 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.920 -0.527 19553 7280 1 20 . 1 1 132 132 PHE C C 132 178.908 178.908 174.954 3.954 19553 7281 1 20 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.600 1.326 19553 7282 1 20 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.840 -1.545 19553 7283 1 20 . 1 1 132 132 PHE H H 132 9.347 9.347 8.806 0.541 19553 7284 1 20 . 1 1 133 133 ASP N N 133 130.494 130.494 127.285 3.209 19553 7285 1 20 . 1 1 133 133 ASP HA H 133 4.976 4.976 5.003 -0.027 19553 7286 1 20 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.655 -0.804 19553 7287 1 20 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.629 -0.213 19553 7288 1 20 . 1 1 133 133 ASP H H 133 8.091 8.091 8.273 -0.182 19553 7289 1 20 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.549 -0.472 19553 7290 1 20 . 1 1 134 134 PRO C C 134 176.646 176.646 177.238 -0.592 19553 7291 1 20 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.914 -1.278 19553 7292 1 20 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.405 0.395 19553 7293 1 20 . 1 1 135 135 ILE N N 135 118.026 118.026 116.390 1.636 19553 7294 1 20 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.047 -0.147 19553 7295 1 20 . 1 1 135 135 ILE C C 135 175.842 175.842 177.586 -1.744 19553 7296 1 20 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.170 1.220 19553 7297 1 20 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.475 -1.559 19553 7298 1 20 . 1 1 135 135 ILE H H 135 7.844 7.844 7.648 0.196 19553 7299 1 20 . 1 1 136 136 SER N N 136 113.845 113.845 113.799 0.046 19553 7300 1 20 . 1 1 136 136 SER HA H 136 4.144 4.144 4.276 -0.132 19553 7301 1 20 . 1 1 136 136 SER C C 136 178.752 178.752 174.367 4.385 19553 7302 1 20 . 1 1 136 136 SER CA C 136 59.461 59.461 59.224 0.237 19553 7303 1 20 . 1 1 136 136 SER CB C 136 63.840 63.840 64.412 -0.572 19553 7304 1 20 . 1 1 136 136 SER H H 136 7.779 7.779 8.814 -1.035 19553 7305 1 20 . 1 1 137 137 ARG N N 137 116.720 116.720 117.703 -0.983 19553 7306 1 20 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.855 -0.624 19553 7307 1 20 . 1 1 137 137 ARG C C 137 180.002 180.002 174.123 5.879 19553 7308 1 20 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.403 0.708 19553 7309 1 20 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.326 -1.123 19553 7310 1 20 . 1 1 137 137 ARG H H 137 7.935 7.935 7.763 0.172 19553 7311 1 20 . 1 1 138 138 ASN N N 138 113.845 113.845 112.773 1.072 19553 7312 1 20 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.568 0.133 19553 7313 1 20 . 1 1 138 138 ASN C C 138 179.580 179.580 172.428 7.152 19553 7314 1 20 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.785 -0.973 19553 7315 1 20 . 1 1 138 138 ASN CB C 138 41.745 41.745 41.078 0.667 19553 7316 1 20 . 1 1 138 138 ASN H H 138 6.857 6.857 6.863 -0.006 19553 7317 1 20 . 1 1 139 139 CYS N N 139 120.168 120.168 119.087 1.081 19553 7318 1 20 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.210 0.010 19553 7319 1 20 . 1 1 139 139 CYS C C 139 178.616 178.616 174.839 3.777 19553 7320 1 20 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.004 -1.816 19553 7321 1 20 . 1 1 139 139 CYS CB C 139 40.808 40.808 26.663 14.145 19553 7322 1 20 . 1 1 139 139 CYS H H 139 8.519 8.519 8.514 0.005 19553 7323 1 20 . 1 1 140 140 VAL N N 140 119.928 119.928 120.618 -0.690 19553 7324 1 20 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.548 0.119 19553 7325 1 20 . 1 1 140 140 VAL C C 140 178.299 178.299 174.417 3.882 19553 7326 1 20 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.531 -0.393 19553 7327 1 20 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.321 1.081 19553 7328 1 20 . 1 1 140 140 VAL H H 140 9.531 9.531 9.221 0.310 19553 7329 1 20 . 1 1 141 141 LEU N N 141 121.749 121.749 122.852 -1.103 19553 7330 1 20 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.217 -0.208 19553 7331 1 20 . 1 1 141 141 LEU C C 141 176.847 176.847 175.950 0.897 19553 7332 1 20 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.733 1.109 19553 7333 1 20 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.887 0.315 19553 7334 1 20 . 1 1 141 141 LEU H H 141 8.363 8.363 8.538 -0.175 19553 7335 1 20 . 1 1 142 142 ASP N N 142 123.416 123.416 128.425 -5.009 19553 7336 1 20 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.730 -0.103 19553 7337 1 20 . 1 1 142 142 ASP C C 142 179.175 179.175 174.508 4.667 19553 7338 1 20 . 1 1 142 142 ASP CA C 142 53.044 53.044 53.872 -0.828 19553 7339 1 20 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.441 -0.699 19553 7340 1 20 . 1 1 142 142 ASP H H 142 8.271 8.271 8.513 -0.242 19553 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 60 2.720 0.532 2.690 19553 2 1 1 "Average Difference" HA 74 0.322 -0.003 0.324 19553 3 1 1 "Average Difference" C 60 4.388 -3.559 2.589 19553 4 1 1 "Average Difference" CA 67 1.189 0.233 1.175 19553 5 1 1 "Average Difference" CB 60 3.764 -0.849 3.698 19553 6 1 1 "Average Difference" HN 60 0.448 -0.079 0.444 19553 7 1 2 "Average Difference" N 60 2.830 0.868 2.717 19553 8 1 2 "Average Difference" HA 74 0.329 -0.017 0.331 19553 9 1 2 "Average Difference" C 60 4.351 -3.485 2.627 19553 10 1 2 "Average Difference" CA 67 1.244 0.344 1.205 19553 11 1 2 "Average Difference" CB 60 3.793 -0.902 3.716 19553 12 1 2 "Average Difference" HN 60 0.488 -0.017 0.492 19553 13 1 3 "Average Difference" N 60 2.673 0.491 2.650 19553 14 1 3 "Average Difference" HA 74 0.307 -0.012 0.309 19553 15 1 3 "Average Difference" C 60 4.399 -3.548 2.623 19553 16 1 3 "Average Difference" CA 67 1.236 0.247 1.220 19553 17 1 3 "Average Difference" CB 60 3.743 -0.874 3.670 19553 18 1 3 "Average Difference" HN 60 0.509 -0.062 0.510 19553 19 1 4 "Average Difference" N 60 2.981 0.491 2.965 19553 20 1 4 "Average Difference" HA 74 0.364 -0.027 0.365 19553 21 1 4 "Average Difference" C 60 4.438 -3.602 2.615 19553 22 1 4 "Average Difference" CA 67 1.261 0.239 1.248 19553 23 1 4 "Average Difference" CB 60 3.658 -0.902 3.575 19553 24 1 4 "Average Difference" HN 60 0.504 -0.069 0.504 19553 25 1 5 "Average Difference" N 60 2.779 0.842 2.671 19553 26 1 5 "Average Difference" HA 74 0.347 -0.007 0.350 19553 27 1 5 "Average Difference" C 60 4.314 -3.482 2.570 19553 28 1 5 "Average Difference" CA 67 1.283 0.264 1.265 19553 29 1 5 "Average Difference" CB 60 3.779 -1.034 3.666 19553 30 1 5 "Average Difference" HN 60 0.545 -0.107 0.539 19553 31 1 6 "Average Difference" N 60 2.849 0.645 2.798 19553 32 1 6 "Average Difference" HA 74 0.318 -0.033 0.318 19553 33 1 6 "Average Difference" C 60 4.384 -3.572 2.564 19553 34 1 6 "Average Difference" CA 67 1.305 0.248 1.291 19553 35 1 6 "Average Difference" CB 60 3.813 -1.112 3.678 19553 36 1 6 "Average Difference" HN 60 0.470 -0.078 0.467 19553 37 1 7 "Average Difference" N 60 2.806 0.409 2.799 19553 38 1 7 "Average Difference" HA 74 0.320 -0.056 0.317 19553 39 1 7 "Average Difference" C 60 4.375 -3.460 2.700 19553 40 1 7 "Average Difference" CA 67 1.223 0.245 1.207 19553 41 1 7 "Average Difference" CB 60 3.786 -0.958 3.694 19553 42 1 7 "Average Difference" HN 60 0.564 -0.086 0.562 19553 43 1 8 "Average Difference" N 60 2.918 0.683 2.861 19553 44 1 8 "Average Difference" HA 74 0.367 -0.049 0.366 19553 45 1 8 "Average Difference" C 60 4.441 -3.582 2.648 19553 46 1 8 "Average Difference" CA 67 1.277 0.268 1.259 19553 47 1 8 "Average Difference" CB 60 3.793 -0.975 3.696 19553 48 1 8 "Average Difference" HN 60 0.503 -0.086 0.500 19553 49 1 9 "Average Difference" N 60 2.787 0.457 2.773 19553 50 1 9 "Average Difference" HA 74 0.337 -0.021 0.338 19553 51 1 9 "Average Difference" C 60 4.382 -3.516 2.638 19553 52 1 9 "Average Difference" CA 67 1.308 0.321 1.277 19553 53 1 9 "Average Difference" CB 60 3.760 -0.934 3.673 19553 54 1 9 "Average Difference" HN 60 0.472 -0.101 0.465 19553 55 1 10 "Average Difference" N 60 2.810 0.682 2.749 19553 56 1 10 "Average Difference" HA 74 0.355 -0.040 0.355 19553 57 1 10 "Average Difference" C 60 4.410 -3.581 2.596 19553 58 1 10 "Average Difference" CA 67 1.271 0.263 1.253 19553 59 1 10 "Average Difference" CB 60 3.886 -0.987 3.790 19553 60 1 10 "Average Difference" HN 60 0.535 -0.047 0.537 19553 61 1 11 "Average Difference" N 60 2.782 0.613 2.736 19553 62 1 11 "Average Difference" HA 74 0.339 0.001 0.342 19553 63 1 11 "Average Difference" C 60 4.409 -3.517 2.682 19553 64 1 11 "Average Difference" CA 67 1.301 0.243 1.288 19553 65 1 11 "Average Difference" CB 60 3.786 -0.946 3.696 19553 66 1 11 "Average Difference" HN 60 0.461 -0.039 0.463 19553 67 1 12 "Average Difference" N 60 2.812 0.572 2.776 19553 68 1 12 "Average Difference" HA 74 0.332 -0.032 0.333 19553 69 1 12 "Average Difference" C 60 4.424 -3.544 2.670 19553 70 1 12 "Average Difference" CA 67 1.279 0.271 1.260 19553 71 1 12 "Average Difference" CB 60 3.861 -1.038 3.751 19553 72 1 12 "Average Difference" HN 60 0.474 -0.073 0.472 19553 73 1 13 "Average Difference" N 60 2.789 0.274 2.799 19553 74 1 13 "Average Difference" HA 74 0.330 0.004 0.332 19553 75 1 13 "Average Difference" C 60 4.338 -3.511 2.570 19553 76 1 13 "Average Difference" CA 67 1.191 0.264 1.170 19553 77 1 13 "Average Difference" CB 60 3.853 -0.895 3.779 19553 78 1 13 "Average Difference" HN 60 0.474 -0.100 0.468 19553 79 1 14 "Average Difference" N 60 2.863 0.610 2.821 19553 80 1 14 "Average Difference" HA 74 0.342 -0.037 0.342 19553 81 1 14 "Average Difference" C 60 4.474 -3.624 2.645 19553 82 1 14 "Average Difference" CA 67 1.189 0.135 1.190 19553 83 1 14 "Average Difference" CB 60 3.729 -0.996 3.624 19553 84 1 14 "Average Difference" HN 60 0.542 -0.055 0.544 19553 85 1 15 "Average Difference" N 60 2.841 0.353 2.843 19553 86 1 15 "Average Difference" HA 74 0.340 -0.029 0.341 19553 87 1 15 "Average Difference" C 60 4.404 -3.559 2.616 19553 88 1 15 "Average Difference" CA 67 1.235 0.199 1.228 19553 89 1 15 "Average Difference" CB 60 3.800 -1.037 3.686 19553 90 1 15 "Average Difference" HN 60 0.548 -0.112 0.541 19553 91 1 16 "Average Difference" N 60 2.907 0.251 2.921 19553 92 1 16 "Average Difference" HA 74 0.338 -0.023 0.340 19553 93 1 16 "Average Difference" C 60 4.440 -3.580 2.648 19553 94 1 16 "Average Difference" CA 67 1.236 0.221 1.225 19553 95 1 16 "Average Difference" CB 60 3.793 -0.871 3.723 19553 96 1 16 "Average Difference" HN 60 0.514 -0.108 0.507 19553 97 1 17 "Average Difference" N 60 2.857 0.557 2.825 19553 98 1 17 "Average Difference" HA 74 0.319 -0.028 0.320 19553 99 1 17 "Average Difference" C 60 4.417 -3.536 2.669 19553 100 1 17 "Average Difference" CA 67 1.263 0.244 1.249 19553 101 1 17 "Average Difference" CB 60 3.634 -0.893 3.552 19553 102 1 17 "Average Difference" HN 60 0.496 -0.099 0.490 19553 103 1 18 "Average Difference" N 60 2.864 0.663 2.810 19553 104 1 18 "Average Difference" HA 74 0.337 -0.047 0.336 19553 105 1 18 "Average Difference" C 60 4.395 -3.554 2.607 19553 106 1 18 "Average Difference" CA 67 1.241 0.272 1.220 19553 107 1 18 "Average Difference" CB 60 3.811 -0.976 3.715 19553 108 1 18 "Average Difference" HN 60 0.489 -0.040 0.491 19553 109 1 19 "Average Difference" N 60 2.782 0.531 2.753 19553 110 1 19 "Average Difference" HA 74 0.342 -0.047 0.341 19553 111 1 19 "Average Difference" C 60 4.420 -3.592 2.598 19553 112 1 19 "Average Difference" CA 67 1.171 0.240 1.155 19553 113 1 19 "Average Difference" CB 60 3.686 -0.926 3.598 19553 114 1 19 "Average Difference" HN 60 0.571 -0.101 0.567 19553 115 1 20 "Average Difference" N 60 2.789 0.532 2.761 19553 116 1 20 "Average Difference" HA 74 0.309 -0.017 0.311 19553 117 1 20 "Average Difference" C 60 4.347 -3.523 2.569 19553 118 1 20 "Average Difference" CA 67 1.309 0.218 1.300 19553 119 1 20 "Average Difference" CB 60 3.859 -0.872 3.791 19553 120 1 20 "Average Difference" HN 60 0.460 -0.090 0.455 19553 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 19553 _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 76 76 PRO HA H 76 4.521 4.521 4.567 -0.046 19553 2 1 . 1 1 76 76 PRO C C 76 176.427 176.427 176.285 0.142 19553 3 1 . 1 1 76 76 PRO CA C 76 63.057 63.057 62.840 0.217 19553 4 1 . 1 1 76 76 PRO CB C 76 32.361 32.361 31.977 0.384 19553 5 1 . 1 1 77 77 LEU N N 77 122.647 122.647 121.725 0.922 19553 6 1 . 1 1 77 77 LEU HA H 77 4.429 4.429 4.475 -0.046 19553 7 1 . 1 1 77 77 LEU C C 77 175.532 175.532 177.321 -1.789 19553 8 1 . 1 1 77 77 LEU CA C 77 55.650 55.650 54.463 1.187 19553 9 1 . 1 1 77 77 LEU CB C 77 42.341 42.341 42.687 -0.346 19553 10 1 . 1 1 77 77 LEU H H 77 8.571 8.571 8.007 0.564 19553 11 1 . 1 1 78 78 GLY N N 78 110.072 110.072 108.323 1.749 19553 12 1 . 1 1 78 78 GLY C C 78 179.395 179.395 175.203 4.192 19553 13 1 . 1 1 78 78 GLY CA C 78 45.270 45.270 45.573 -0.303 19553 14 1 . 1 1 78 78 GLY H H 78 8.483 8.483 8.485 -0.001 19553 15 1 . 1 1 79 79 SER N N 79 115.122 115.122 115.962 -0.840 19553 16 1 . 1 1 79 79 SER HA H 79 4.549 4.549 4.114 0.435 19553 17 1 . 1 1 79 79 SER C C 79 179.859 179.859 173.480 6.379 19553 18 1 . 1 1 79 79 SER CA C 79 58.151 58.151 60.145 -1.994 19553 19 1 . 1 1 79 79 SER CB C 79 64.330 64.330 63.567 0.763 19553 20 1 . 1 1 79 79 SER H H 79 8.151 8.151 8.164 -0.013 19553 21 1 . 1 1 80 80 ASP N N 80 122.779 122.779 118.548 4.231 19553 22 1 . 1 1 80 80 ASP HA H 80 4.753 4.753 5.179 -0.426 19553 23 1 . 1 1 80 80 ASP C C 80 178.137 178.137 174.563 3.574 19553 24 1 . 1 1 80 80 ASP CA C 80 54.028 54.028 53.180 0.848 19553 25 1 . 1 1 80 80 ASP CB C 80 41.202 41.202 42.810 -1.608 19553 26 1 . 1 1 80 80 ASP H H 80 8.294 8.294 7.634 0.660 19553 27 1 . 1 1 81 81 LEU N N 81 125.106 125.106 125.382 -0.276 19553 28 1 . 1 1 81 81 LEU HA H 81 4.483 4.483 4.782 -0.299 19553 29 1 . 1 1 81 81 LEU C C 81 178.326 178.326 174.945 3.381 19553 30 1 . 1 1 81 81 LEU CA C 81 54.110 54.110 53.415 0.695 19553 31 1 . 1 1 81 81 LEU CB C 81 42.090 42.090 45.106 -3.016 19553 32 1 . 1 1 81 81 LEU H H 81 8.532 8.532 8.534 -0.002 19553 33 1 . 1 1 82 82 ILE N N 82 120.036 120.036 124.878 -4.842 19553 34 1 . 1 1 82 82 ILE HA H 82 4.820 4.820 4.813 0.007 19553 35 1 . 1 1 82 82 ILE C C 82 177.782 177.782 175.813 1.969 19553 36 1 . 1 1 82 82 ILE CA C 82 59.174 59.174 60.280 -1.106 19553 37 1 . 1 1 82 82 ILE CB C 82 40.919 40.919 39.199 1.720 19553 38 1 . 1 1 82 82 ILE H H 82 7.848 7.848 8.254 -0.406 19553 39 1 . 1 1 83 83 VAL N N 83 119.733 119.733 120.868 -1.135 19553 40 1 . 1 1 83 83 VAL HA H 83 4.430 4.430 4.702 -0.272 19553 41 1 . 1 1 83 83 VAL C C 83 179.809 179.809 174.047 5.762 19553 42 1 . 1 1 83 83 VAL CA C 83 59.453 59.453 59.395 0.058 19553 43 1 . 1 1 83 83 VAL CB C 83 35.153 35.153 35.683 -0.530 19553 44 1 . 1 1 83 83 VAL H H 83 8.511 8.511 8.887 -0.376 19553 45 1 . 1 1 84 84 HIS N N 84 122.907 122.907 120.623 2.284 19553 46 1 . 1 1 84 84 HIS HA H 84 5.560 5.560 5.467 0.093 19553 47 1 . 1 1 84 84 HIS C C 84 178.593 178.593 174.884 3.709 19553 48 1 . 1 1 84 84 HIS CA C 84 54.577 54.577 55.046 -0.469 19553 49 1 . 1 1 84 84 HIS CB C 84 30.967 30.967 30.863 0.104 19553 50 1 . 1 1 84 84 HIS H H 84 8.908 8.908 8.577 0.331 19553 51 1 . 1 1 85 85 GLU N N 85 124.766 124.766 125.379 -0.613 19553 52 1 . 1 1 85 85 GLU HA H 85 4.766 4.766 4.544 0.222 19553 53 1 . 1 1 85 85 GLU C C 85 176.641 176.641 176.989 -0.348 19553 54 1 . 1 1 85 85 GLU CA C 85 56.372 56.372 55.094 1.278 19553 55 1 . 1 1 85 85 GLU CB C 85 32.921 32.921 30.347 2.574 19553 56 1 . 1 1 85 85 GLU H H 85 8.979 8.979 9.173 -0.194 19553 57 1 . 1 1 86 86 GLY N N 86 119.987 119.987 114.442 5.545 19553 58 1 . 1 1 86 86 GLY C C 86 178.249 178.249 174.867 3.382 19553 59 1 . 1 1 86 86 GLY CA C 86 47.276 47.276 45.776 1.500 19553 60 1 . 1 1 86 86 GLY H H 86 9.540 9.540 9.077 0.463 19553 61 1 . 1 1 87 87 GLY N N 87 108.242 108.242 105.376 2.866 19553 62 1 . 1 1 87 87 GLY C C 87 179.578 179.578 174.852 4.726 19553 63 1 . 1 1 87 87 GLY CA C 87 44.941 44.941 45.078 -0.137 19553 64 1 . 1 1 87 87 GLY H H 87 8.920 8.920 8.567 0.353 19553 65 1 . 1 1 88 88 LYS N N 88 121.010 121.010 123.202 -2.192 19553 66 1 . 1 1 88 88 LYS HA H 88 4.618 4.618 4.574 0.044 19553 67 1 . 1 1 88 88 LYS C C 88 178.241 178.241 175.730 2.511 19553 68 1 . 1 1 88 88 LYS CA C 88 54.917 54.917 54.630 0.287 19553 69 1 . 1 1 88 88 LYS CB C 88 35.152 35.152 33.336 1.816 19553 70 1 . 1 1 88 88 LYS H H 88 7.858 7.858 7.742 0.116 19553 71 1 . 1 1 89 89 THR N N 89 117.172 117.172 116.936 0.236 19553 72 1 . 1 1 89 89 THR HA H 89 4.691 4.691 5.051 -0.360 19553 73 1 . 1 1 89 89 THR C C 89 180.192 180.192 174.150 6.042 19553 74 1 . 1 1 89 89 THR CA C 89 61.646 61.646 61.553 0.093 19553 75 1 . 1 1 89 89 THR CB C 89 70.339 70.339 68.908 1.431 19553 76 1 . 1 1 89 89 THR H H 89 8.230 8.230 8.338 -0.108 19553 77 1 . 1 1 90 90 TYR N N 90 123.521 123.521 125.350 -1.829 19553 78 1 . 1 1 90 90 TYR HA H 90 4.679 4.679 4.767 -0.088 19553 79 1 . 1 1 90 90 TYR C C 90 179.282 179.282 174.939 4.343 19553 80 1 . 1 1 90 90 TYR CA C 90 56.407 56.407 56.737 -0.330 19553 81 1 . 1 1 90 90 TYR CB C 90 40.972 40.972 42.224 -1.252 19553 82 1 . 1 1 90 90 TYR H H 90 8.927 8.927 8.941 -0.014 19553 83 1 . 1 1 91 91 HIS N N 91 120.999 120.999 120.863 0.136 19553 84 1 . 1 1 91 91 HIS HA H 91 5.086 5.086 5.041 0.045 19553 85 1 . 1 1 91 91 HIS C C 91 178.719 178.719 174.860 3.859 19553 86 1 . 1 1 91 91 HIS CA C 91 54.983 54.983 55.664 -0.681 19553 87 1 . 1 1 91 91 HIS CB C 91 29.492 29.492 31.868 -2.376 19553 88 1 . 1 1 91 91 HIS H H 91 8.987 8.987 8.686 0.301 19553 89 1 . 1 1 92 92 VAL N N 92 120.849 120.849 124.464 -3.615 19553 90 1 . 1 1 92 92 VAL HA H 92 4.400 4.400 4.247 0.153 19553 91 1 . 1 1 92 92 VAL C C 92 180.110 180.110 174.029 6.081 19553 92 1 . 1 1 92 92 VAL CA C 92 60.160 60.160 61.399 -1.239 19553 93 1 . 1 1 92 92 VAL CB C 92 34.543 34.543 33.288 1.255 19553 94 1 . 1 1 92 92 VAL H H 92 8.677 8.677 9.012 -0.335 19553 95 1 . 1 1 93 93 VAL N N 93 121.626 121.626 126.510 -4.884 19553 96 1 . 1 1 93 93 VAL HA H 93 4.181 4.181 4.588 -0.407 19553 97 1 . 1 1 93 93 VAL C C 93 178.555 178.555 175.174 3.381 19553 98 1 . 1 1 93 93 VAL CA C 93 60.547 60.547 60.546 0.001 19553 99 1 . 1 1 93 93 VAL CB C 93 34.275 34.275 34.424 -0.149 19553 100 1 . 1 1 93 93 VAL H H 93 7.997 7.997 8.256 -0.259 19553 101 1 . 1 1 94 94 CYS N N 94 123.035 123.035 126.191 -3.156 19553 102 1 . 1 1 94 94 CYS HA H 94 4.393 4.393 4.559 -0.166 19553 103 1 . 1 1 94 94 CYS CA C 94 53.491 53.491 58.233 -4.742 19553 104 1 . 1 1 94 94 CYS CB C 94 41.492 41.492 26.885 14.607 19553 105 1 . 1 1 94 94 CYS H H 94 7.890 7.890 8.411 -0.521 19553 106 1 . 1 1 95 95 HIS HA H 95 4.433 4.433 4.449 -0.016 19553 107 1 . 1 1 95 95 HIS C C 95 179.991 179.991 174.573 5.418 19553 108 1 . 1 1 95 95 HIS CA C 95 55.411 55.411 56.878 -1.467 19553 109 1 . 1 1 95 95 HIS CB C 95 31.275 31.275 30.659 0.616 19553 110 1 . 1 1 96 96 GLU N N 96 117.019 117.019 118.323 -1.304 19553 111 1 . 1 1 96 96 GLU HA H 96 4.841 4.841 4.737 0.104 19553 112 1 . 1 1 96 96 GLU C C 96 178.360 178.360 175.121 3.239 19553 113 1 . 1 1 96 96 GLU CA C 96 54.440 54.440 55.167 -0.727 19553 114 1 . 1 1 96 96 GLU CB C 96 32.505 32.505 32.174 0.331 19553 115 1 . 1 1 96 96 GLU H H 96 7.623 7.623 7.913 -0.290 19553 116 1 . 1 1 97 97 GLU N N 97 121.779 121.779 121.333 0.446 19553 117 1 . 1 1 97 97 GLU HA H 97 4.443 4.443 4.557 -0.114 19553 118 1 . 1 1 97 97 GLU C C 97 176.658 176.658 176.310 0.348 19553 119 1 . 1 1 97 97 GLU CA C 97 57.932 57.932 56.693 1.239 19553 120 1 . 1 1 97 97 GLU CB C 97 30.651 30.651 30.112 0.539 19553 121 1 . 1 1 97 97 GLU H H 97 9.280 9.280 8.794 0.486 19553 122 1 . 1 1 98 98 GLY N N 98 109.900 109.900 111.308 -1.408 19553 123 1 . 1 1 98 98 GLY CA C 98 44.276 44.276 44.482 -0.206 19553 124 1 . 1 1 98 98 GLY H H 98 8.745 8.745 8.356 0.389 19553 125 1 . 1 1 99 99 PRO HA H 99 5.669 5.669 5.582 0.087 19553 126 1 . 1 1 99 99 PRO C C 99 176.795 176.795 176.070 0.726 19553 127 1 . 1 1 99 99 PRO CA C 99 62.571 62.571 62.355 0.216 19553 128 1 . 1 1 99 99 PRO CB C 99 33.687 33.687 32.740 0.947 19553 129 1 . 1 1 100 100 ILE N N 100 118.686 118.686 118.116 0.570 19553 130 1 . 1 1 100 100 ILE HA H 100 4.907 4.907 5.097 -0.190 19553 131 1 . 1 1 100 100 ILE CA C 100 59.206 59.206 57.439 1.767 19553 132 1 . 1 1 100 100 ILE CB C 100 40.104 40.104 39.334 0.770 19553 133 1 . 1 1 100 100 ILE H H 100 9.748 9.748 8.967 0.781 19553 134 1 . 1 1 101 101 PRO HA H 101 4.131 4.131 4.629 -0.498 19553 135 1 . 1 1 101 101 PRO C C 101 177.525 177.525 176.389 1.135 19553 136 1 . 1 1 101 101 PRO CA C 101 63.083 63.083 62.984 0.099 19553 137 1 . 1 1 101 101 PRO CB C 101 31.670 31.670 32.961 -1.291 19553 138 1 . 1 1 102 102 HIS N N 102 123.222 123.222 119.684 3.538 19553 139 1 . 1 1 102 102 HIS HA H 102 4.588 4.588 4.721 -0.133 19553 140 1 . 1 1 102 102 HIS CA C 102 52.564 52.564 54.234 -1.670 19553 141 1 . 1 1 102 102 HIS CB C 102 31.870 31.870 32.265 -0.395 19553 142 1 . 1 1 102 102 HIS H H 102 8.717 8.717 8.622 0.095 19553 143 1 . 1 1 103 103 PRO HA H 103 4.281 4.281 4.262 0.019 19553 144 1 . 1 1 103 103 PRO CA C 103 63.475 63.475 64.430 -0.955 19553 145 1 . 1 1 103 103 PRO CB C 103 31.986 31.986 31.893 0.093 19553 146 1 . 1 1 104 104 GLY N N 104 106.530 106.530 106.698 -0.168 19553 147 1 . 1 1 104 104 GLY C C 104 180.058 180.058 173.856 6.202 19553 148 1 . 1 1 104 104 GLY CA C 104 44.711 44.711 44.753 -0.042 19553 149 1 . 1 1 104 104 GLY H H 104 9.682 9.682 7.705 1.977 19553 150 1 . 1 1 105 105 ASN N N 105 118.099 118.099 118.485 -0.386 19553 151 1 . 1 1 105 105 ASN HA H 105 4.676 4.676 4.845 -0.169 19553 152 1 . 1 1 105 105 ASN C C 105 178.082 178.082 175.596 2.486 19553 153 1 . 1 1 105 105 ASN CA C 105 53.234 53.234 51.858 1.376 19553 154 1 . 1 1 105 105 ASN CB C 105 39.173 39.173 39.485 -0.312 19553 155 1 . 1 1 105 105 ASN H H 105 6.870 6.870 7.782 -0.912 19553 156 1 . 1 1 106 106 VAL N N 106 123.752 123.752 120.173 3.579 19553 157 1 . 1 1 106 106 VAL HA H 106 4.579 4.579 3.820 0.759 19553 158 1 . 1 1 106 106 VAL C C 106 178.463 178.463 176.538 1.925 19553 159 1 . 1 1 106 106 VAL CA C 106 63.313 63.313 64.783 -1.470 19553 160 1 . 1 1 106 106 VAL CB C 106 31.612 31.612 31.376 0.236 19553 161 1 . 1 1 106 106 VAL H H 106 8.774 8.774 8.696 0.078 19553 162 1 . 1 1 107 107 HIS N N 107 116.712 116.712 118.026 -1.314 19553 163 1 . 1 1 107 107 HIS HA H 107 4.590 4.590 4.805 -0.215 19553 164 1 . 1 1 107 107 HIS C C 107 180.421 180.421 175.245 5.176 19553 165 1 . 1 1 107 107 HIS CA C 107 56.649 56.649 57.148 -0.500 19553 166 1 . 1 1 107 107 HIS CB C 107 27.754 27.754 29.162 -1.408 19553 167 1 . 1 1 107 107 HIS H H 107 9.171 9.171 8.311 0.860 19553 168 1 . 1 1 108 108 LYS N N 108 119.379 119.379 117.240 2.139 19553 169 1 . 1 1 108 108 LYS HA H 108 5.118 5.118 4.909 0.209 19553 170 1 . 1 1 108 108 LYS C C 108 181.487 181.487 174.572 6.915 19553 171 1 . 1 1 108 108 LYS CA C 108 54.558 54.558 55.104 -0.546 19553 172 1 . 1 1 108 108 LYS CB C 108 39.349 39.349 36.905 2.444 19553 173 1 . 1 1 108 108 LYS H H 108 7.627 7.627 7.752 -0.124 19553 174 1 . 1 1 109 109 TYR N N 109 114.203 114.203 117.363 -3.160 19553 175 1 . 1 1 109 109 TYR HA H 109 4.577 4.577 4.916 -0.339 19553 176 1 . 1 1 109 109 TYR C C 109 181.588 181.588 172.785 8.803 19553 177 1 . 1 1 109 109 TYR CA C 109 56.367 56.367 55.825 0.542 19553 178 1 . 1 1 109 109 TYR CB C 109 37.795 37.795 41.050 -3.255 19553 179 1 . 1 1 109 109 TYR H H 109 9.006 9.006 9.131 -0.125 19553 180 1 . 1 1 110 110 ILE N N 110 119.840 119.840 118.161 1.679 19553 181 1 . 1 1 110 110 ILE HA H 110 4.685 4.685 4.678 0.007 19553 182 1 . 1 1 110 110 ILE C C 110 178.917 178.917 174.877 4.040 19553 183 1 . 1 1 110 110 ILE CA C 110 59.240 59.240 59.353 -0.113 19553 184 1 . 1 1 110 110 ILE CB C 110 41.230 41.230 41.739 -0.509 19553 185 1 . 1 1 110 110 ILE H H 110 8.764 8.764 9.053 -0.289 19553 186 1 . 1 1 111 111 ILE N N 111 124.346 124.346 126.428 -2.082 19553 187 1 . 1 1 111 111 ILE HA H 111 4.332 4.332 4.424 -0.092 19553 188 1 . 1 1 111 111 ILE C C 111 175.896 175.896 174.882 1.014 19553 189 1 . 1 1 111 111 ILE CA C 111 60.701 60.701 60.197 0.504 19553 190 1 . 1 1 111 111 ILE CB C 111 39.513 39.513 38.266 1.247 19553 191 1 . 1 1 111 111 ILE H H 111 9.032 9.032 8.647 0.385 19553 192 1 . 1 1 112 112 CYS N N 112 128.772 128.772 128.607 0.165 19553 193 1 . 1 1 112 112 CYS HA H 112 5.081 5.081 5.057 0.024 19553 194 1 . 1 1 112 112 CYS C C 112 178.268 178.268 174.511 3.757 19553 195 1 . 1 1 112 112 CYS CA C 112 57.242 57.242 58.209 -0.967 19553 196 1 . 1 1 112 112 CYS CB C 112 43.955 43.955 27.555 16.400 19553 197 1 . 1 1 112 112 CYS H H 112 8.517 8.517 8.594 -0.077 19553 198 1 . 1 1 113 113 SER N N 113 120.988 120.988 120.100 0.888 19553 199 1 . 1 1 113 113 SER HA H 113 4.996 4.996 4.880 0.116 19553 200 1 . 1 1 113 113 SER C C 113 182.750 182.750 172.551 10.199 19553 201 1 . 1 1 113 113 SER CA C 113 57.517 57.517 57.235 0.282 19553 202 1 . 1 1 113 113 SER CB C 113 65.528 65.528 65.991 -0.463 19553 203 1 . 1 1 113 113 SER H H 113 9.361 9.361 9.366 -0.005 19553 204 1 . 1 1 114 114 LYS N N 114 123.657 123.657 126.282 -2.625 19553 205 1 . 1 1 114 114 LYS HA H 114 4.604 4.604 4.279 0.325 19553 206 1 . 1 1 114 114 LYS C C 114 176.524 176.524 176.134 0.390 19553 207 1 . 1 1 114 114 LYS CA C 114 54.862 54.862 54.920 -0.058 19553 208 1 . 1 1 114 114 LYS CB C 114 34.383 34.383 33.175 1.208 19553 209 1 . 1 1 114 114 LYS H H 114 8.899 8.899 8.804 0.095 19553 210 1 . 1 1 115 115 SER N N 115 119.515 119.515 124.326 -4.811 19553 211 1 . 1 1 115 115 SER HA H 115 4.589 4.589 4.646 -0.057 19553 212 1 . 1 1 115 115 SER C C 115 178.064 178.064 174.768 3.296 19553 213 1 . 1 1 115 115 SER CA C 115 56.468 56.468 57.413 -0.945 19553 214 1 . 1 1 115 115 SER CB C 115 63.236 63.236 62.440 0.796 19553 215 1 . 1 1 115 115 SER H H 115 8.560 8.560 8.990 -0.430 19553 216 1 . 1 1 116 116 GLY N N 116 118.606 118.606 116.112 2.494 19553 217 1 . 1 1 116 116 GLY C C 116 178.577 178.577 174.616 3.961 19553 218 1 . 1 1 116 116 GLY CA C 116 46.947 46.947 46.622 0.325 19553 219 1 . 1 1 116 116 GLY H H 116 9.067 9.067 8.215 0.852 19553 220 1 . 1 1 117 117 SER N N 117 121.443 121.443 119.048 2.395 19553 221 1 . 1 1 117 117 SER HA H 117 4.310 4.310 4.612 -0.302 19553 222 1 . 1 1 117 117 SER C C 117 180.107 180.107 173.504 6.603 19553 223 1 . 1 1 117 117 SER CA C 117 58.416 58.416 57.892 0.524 19553 224 1 . 1 1 117 117 SER CB C 117 63.758 63.758 64.210 -0.453 19553 225 1 . 1 1 117 117 SER H H 117 8.908 8.908 8.295 0.613 19553 226 1 . 1 1 118 118 LEU N N 118 123.028 123.028 123.726 -0.698 19553 227 1 . 1 1 118 118 LEU HA H 118 4.586 4.586 4.665 -0.079 19553 228 1 . 1 1 118 118 LEU C C 118 177.894 177.894 174.367 3.527 19553 229 1 . 1 1 118 118 LEU CA C 118 54.117 54.117 54.170 -0.053 19553 230 1 . 1 1 118 118 LEU CB C 118 44.230 44.230 44.779 -0.549 19553 231 1 . 1 1 118 118 LEU H H 118 7.763 7.763 7.565 0.198 19553 232 1 . 1 1 119 119 TRP N N 119 120.523 120.523 124.560 -4.037 19553 233 1 . 1 1 119 119 TRP HA H 119 5.218 5.218 5.107 0.111 19553 234 1 . 1 1 119 119 TRP C C 119 177.735 177.735 175.903 1.832 19553 235 1 . 1 1 119 119 TRP CA C 119 56.441 56.441 56.628 -0.187 19553 236 1 . 1 1 119 119 TRP CB C 119 32.181 32.181 30.605 1.576 19553 237 1 . 1 1 119 119 TRP H H 119 8.102 8.102 8.561 -0.459 19553 238 1 . 1 1 120 120 TYR N N 120 119.365 119.365 123.150 -3.785 19553 239 1 . 1 1 120 120 TYR HA H 120 4.855 4.855 4.824 0.031 19553 240 1 . 1 1 120 120 TYR C C 120 179.683 179.683 174.764 4.919 19553 241 1 . 1 1 120 120 TYR CA C 120 56.427 56.427 57.562 -1.135 19553 242 1 . 1 1 120 120 TYR CB C 120 40.788 40.788 40.645 0.143 19553 243 1 . 1 1 120 120 TYR H H 120 9.495 9.495 9.441 0.054 19553 244 1 . 1 1 121 121 ILE N N 121 111.471 111.471 119.322 -7.851 19553 245 1 . 1 1 121 121 ILE HA H 121 5.695 5.695 5.575 0.120 19553 246 1 . 1 1 121 121 ILE C C 121 177.137 177.137 175.335 1.802 19553 247 1 . 1 1 121 121 ILE CA C 121 58.266 58.266 58.670 -0.404 19553 248 1 . 1 1 121 121 ILE CB C 121 43.191 43.191 41.784 1.407 19553 249 1 . 1 1 121 121 ILE H H 121 8.338 8.338 8.487 -0.149 19553 250 1 . 1 1 122 122 THR N N 122 116.120 116.120 120.267 -4.147 19553 251 1 . 1 1 122 122 THR HA H 122 4.493 4.493 4.585 -0.092 19553 252 1 . 1 1 122 122 THR C C 122 180.251 180.251 172.596 7.655 19553 253 1 . 1 1 122 122 THR CA C 122 61.437 61.437 61.784 -0.347 19553 254 1 . 1 1 122 122 THR CB C 122 71.892 71.892 71.145 0.747 19553 255 1 . 1 1 122 122 THR H H 122 7.796 7.796 8.383 -0.587 19553 256 1 . 1 1 123 123 VAL N N 123 128.072 128.072 127.731 0.341 19553 257 1 . 1 1 123 123 VAL HA H 123 4.272 4.272 4.493 -0.221 19553 258 1 . 1 1 123 123 VAL C C 123 178.576 178.576 174.754 3.822 19553 259 1 . 1 1 123 123 VAL CA C 123 62.958 62.958 61.105 1.853 19553 260 1 . 1 1 123 123 VAL CB C 123 32.032 32.032 32.601 -0.569 19553 261 1 . 1 1 123 123 VAL H H 123 9.009 9.009 8.564 0.445 19553 262 1 . 1 1 124 124 MET N N 124 127.234 127.234 128.631 -1.397 19553 263 1 . 1 1 124 124 MET HA H 124 5.053 5.053 4.884 0.169 19553 264 1 . 1 1 124 124 MET CA C 124 50.145 50.145 51.196 -1.051 19553 265 1 . 1 1 124 124 MET CB C 124 33.625 33.625 33.787 -0.162 19553 266 1 . 1 1 124 124 MET H H 124 8.799 8.799 8.465 0.334 19553 267 1 . 1 1 125 125 PRO HA H 125 4.891 4.891 4.627 0.264 19553 268 1 . 1 1 125 125 PRO C C 125 174.594 174.594 176.055 -1.461 19553 269 1 . 1 1 125 125 PRO CA C 125 61.564 61.564 62.172 -0.608 19553 270 1 . 1 1 125 125 PRO CB C 125 31.310 31.310 32.298 -0.988 19553 271 1 . 1 1 126 126 CYS N N 126 119.444 119.444 122.468 -3.024 19553 272 1 . 1 1 126 126 CYS HA H 126 5.131 5.131 4.657 0.474 19553 273 1 . 1 1 126 126 CYS C C 126 177.425 177.425 175.333 2.092 19553 274 1 . 1 1 126 126 CYS CA C 126 53.556 53.556 58.260 -4.704 19553 275 1 . 1 1 126 126 CYS CB C 126 38.277 38.277 28.537 9.740 19553 276 1 . 1 1 126 126 CYS H H 126 8.355 8.355 8.713 -0.358 19553 277 1 . 1 1 127 127 SER N N 127 117.888 117.888 116.183 1.705 19553 278 1 . 1 1 127 127 SER HA H 127 4.382 4.382 4.407 -0.025 19553 279 1 . 1 1 127 127 SER C C 127 178.499 178.499 174.594 3.905 19553 280 1 . 1 1 127 127 SER CA C 127 59.179 59.179 58.661 0.518 19553 281 1 . 1 1 127 127 SER CB C 127 63.503 63.503 63.723 -0.220 19553 282 1 . 1 1 127 127 SER H H 127 8.255 8.255 8.547 -0.292 19553 283 1 . 1 1 128 128 ILE N N 128 125.176 125.176 124.165 1.011 19553 284 1 . 1 1 128 128 ILE HA H 128 3.988 3.988 3.877 0.111 19553 285 1 . 1 1 128 128 ILE C C 128 176.825 176.825 177.523 -0.698 19553 286 1 . 1 1 128 128 ILE CA C 128 63.307 63.307 63.082 0.225 19553 287 1 . 1 1 128 128 ILE CB C 128 37.625 37.625 37.586 0.039 19553 288 1 . 1 1 128 128 ILE H H 128 8.727 8.727 8.541 0.186 19553 289 1 . 1 1 129 129 GLY N N 129 114.581 114.581 115.238 -0.657 19553 290 1 . 1 1 129 129 GLY C C 129 178.928 178.928 174.232 4.696 19553 291 1 . 1 1 129 129 GLY CA C 129 44.884 44.884 45.113 -0.229 19553 292 1 . 1 1 129 129 GLY H H 129 8.888 8.888 8.607 0.281 19553 293 1 . 1 1 130 130 THR N N 130 110.279 110.279 112.956 -2.677 19553 294 1 . 1 1 130 130 THR HA H 130 5.294 5.294 5.303 -0.009 19553 295 1 . 1 1 130 130 THR C C 130 180.377 180.377 173.027 7.350 19553 296 1 . 1 1 130 130 THR CA C 130 60.262 60.262 60.243 0.019 19553 297 1 . 1 1 130 130 THR CB C 130 72.701 72.701 72.147 0.554 19553 298 1 . 1 1 130 130 THR H H 130 8.132 8.132 7.851 0.281 19553 299 1 . 1 1 131 131 LYS N N 131 117.394 117.394 118.786 -1.392 19553 300 1 . 1 1 131 131 LYS HA H 131 4.829 4.829 5.092 -0.263 19553 301 1 . 1 1 131 131 LYS C C 131 179.939 179.939 174.527 5.412 19553 302 1 . 1 1 131 131 LYS CA C 131 54.053 54.053 54.418 -0.365 19553 303 1 . 1 1 131 131 LYS CB C 131 35.945 35.945 36.153 -0.208 19553 304 1 . 1 1 131 131 LYS H H 131 9.579 9.579 9.091 0.488 19553 305 1 . 1 1 132 132 PHE N N 132 123.518 123.518 123.575 -0.057 19553 306 1 . 1 1 132 132 PHE HA H 132 4.393 4.393 4.873 -0.480 19553 307 1 . 1 1 132 132 PHE C C 132 178.908 178.908 175.118 3.790 19553 308 1 . 1 1 132 132 PHE CA C 132 59.926 59.926 58.460 1.466 19553 309 1 . 1 1 132 132 PHE CB C 132 39.295 39.295 40.687 -1.392 19553 310 1 . 1 1 132 132 PHE H H 132 9.347 9.347 8.833 0.514 19553 311 1 . 1 1 133 133 ASP N N 133 130.494 130.494 127.509 2.985 19553 312 1 . 1 1 133 133 ASP HA H 133 4.976 4.976 4.988 -0.012 19553 313 1 . 1 1 133 133 ASP CA C 133 49.851 49.851 50.616 -0.765 19553 314 1 . 1 1 133 133 ASP CB C 133 43.416 43.416 43.187 0.229 19553 315 1 . 1 1 133 133 ASP H H 133 8.091 8.091 8.327 -0.236 19553 316 1 . 1 1 134 134 PRO HA H 134 4.077 4.077 4.511 -0.434 19553 317 1 . 1 1 134 134 PRO C C 134 176.646 176.646 177.170 -0.524 19553 318 1 . 1 1 134 134 PRO CA C 134 63.636 63.636 64.998 -1.362 19553 319 1 . 1 1 134 134 PRO CB C 134 32.800 32.800 32.341 0.459 19553 320 1 . 1 1 135 135 ILE N N 135 118.026 118.026 117.006 1.020 19553 321 1 . 1 1 135 135 ILE HA H 135 3.900 3.900 4.008 -0.108 19553 322 1 . 1 1 135 135 ILE C C 135 175.842 175.842 177.711 -1.869 19553 323 1 . 1 1 135 135 ILE CA C 135 63.390 63.390 62.385 1.005 19553 324 1 . 1 1 135 135 ILE CB C 135 35.916 35.916 37.715 -1.799 19553 325 1 . 1 1 135 135 ILE H H 135 7.844 7.844 7.587 0.257 19553 326 1 . 1 1 136 136 SER N N 136 113.845 113.845 114.772 -0.927 19553 327 1 . 1 1 136 136 SER HA H 136 4.144 4.144 4.239 -0.095 19553 328 1 . 1 1 136 136 SER C C 136 178.752 178.752 174.419 4.333 19553 329 1 . 1 1 136 136 SER CA C 136 59.461 59.461 60.014 -0.553 19553 330 1 . 1 1 136 136 SER CB C 136 63.840 63.840 63.847 -0.007 19553 331 1 . 1 1 136 136 SER H H 136 7.779 7.779 8.930 -1.151 19553 332 1 . 1 1 137 137 ARG N N 137 116.720 116.720 116.656 0.064 19553 333 1 . 1 1 137 137 ARG HA H 137 3.231 3.231 3.750 -0.519 19553 334 1 . 1 1 137 137 ARG C C 137 180.002 180.002 174.036 5.966 19553 335 1 . 1 1 137 137 ARG CA C 137 57.110 57.110 56.460 0.650 19553 336 1 . 1 1 137 137 ARG CB C 137 26.203 26.203 27.405 -1.203 19553 337 1 . 1 1 137 137 ARG H H 137 7.935 7.935 7.858 0.077 19553 338 1 . 1 1 138 138 ASN N N 138 113.845 113.845 113.194 0.651 19553 339 1 . 1 1 138 138 ASN HA H 138 4.701 4.701 4.607 0.094 19553 340 1 . 1 1 138 138 ASN C C 138 179.580 179.580 172.414 7.166 19553 341 1 . 1 1 138 138 ASN CA C 138 50.812 50.812 51.630 -0.818 19553 342 1 . 1 1 138 138 ASN CB C 138 41.745 41.745 40.854 0.891 19553 343 1 . 1 1 138 138 ASN H H 138 6.857 6.857 6.964 -0.107 19553 344 1 . 1 1 139 139 CYS N N 139 120.168 120.168 119.051 1.117 19553 345 1 . 1 1 139 139 CYS HA H 139 5.220 5.220 5.254 -0.034 19553 346 1 . 1 1 139 139 CYS C C 139 178.616 178.616 175.138 3.478 19553 347 1 . 1 1 139 139 CYS CA C 139 56.188 56.188 58.061 -1.873 19553 348 1 . 1 1 139 139 CYS CB C 139 40.808 40.808 27.096 13.712 19553 349 1 . 1 1 139 139 CYS H H 139 8.519 8.519 8.477 0.042 19553 350 1 . 1 1 140 140 VAL N N 140 119.928 119.928 120.614 -0.686 19553 351 1 . 1 1 140 140 VAL HA H 140 4.667 4.667 4.578 0.089 19553 352 1 . 1 1 140 140 VAL C C 140 178.299 178.299 174.683 3.616 19553 353 1 . 1 1 140 140 VAL CA C 140 59.138 59.138 59.620 -0.482 19553 354 1 . 1 1 140 140 VAL CB C 140 35.402 35.402 34.159 1.243 19553 355 1 . 1 1 140 140 VAL H H 140 9.531 9.531 9.229 0.302 19553 356 1 . 1 1 141 141 LEU N N 141 121.749 121.749 123.044 -1.295 19553 357 1 . 1 1 141 141 LEU HA H 141 4.009 4.009 4.261 -0.252 19553 358 1 . 1 1 141 141 LEU C C 141 176.847 176.847 176.204 0.643 19553 359 1 . 1 1 141 141 LEU CA C 141 56.842 56.842 55.611 1.231 19553 360 1 . 1 1 141 141 LEU CB C 141 42.202 42.202 41.468 0.734 19553 361 1 . 1 1 141 141 LEU H H 141 8.363 8.363 8.545 -0.182 19553 362 1 . 1 1 142 142 ASP N N 142 123.416 123.416 128.072 -4.656 19553 363 1 . 1 1 142 142 ASP HA H 142 4.627 4.627 4.662 -0.035 19553 364 1 . 1 1 142 142 ASP C C 142 179.175 179.175 174.784 4.391 19553 365 1 . 1 1 142 142 ASP CA C 142 53.044 53.044 54.125 -1.081 19553 366 1 . 1 1 142 142 ASP CB C 142 40.741 40.741 41.108 -0.367 19553 367 1 . 1 1 142 142 ASP H H 142 8.271 8.271 8.480 -0.208 19553 stop_ save_