data_19535 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19535 _Entry.PDB_ID 2MF3 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 19535 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 2 122.024 122.024 122.192 -0.168 19535 2 1 1 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.502 0.027 19535 3 1 1 . 1 1 2 2 LYS C C 2 175.284 175.284 174.536 0.748 19535 4 1 1 . 1 1 2 2 LYS CA C 2 56.758 56.758 55.986 0.772 19535 5 1 1 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.866 -0.512 19535 6 1 1 . 1 1 2 2 LYS H H 2 8.776 8.776 8.463 0.313 19535 7 1 1 . 1 1 3 3 GLU N N 3 122.436 122.436 123.016 -0.580 19535 8 1 1 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.758 -0.154 19535 9 1 1 . 1 1 3 3 GLU C C 3 174.367 174.367 175.558 -1.191 19535 10 1 1 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.818 0.103 19535 11 1 1 . 1 1 3 3 GLU CB C 3 29.309 29.309 29.909 -0.600 19535 12 1 1 . 1 1 3 3 GLU H H 3 8.583 8.583 8.542 0.041 19535 13 1 1 . 1 1 4 4 CYS N N 4 117.664 117.664 119.429 -1.765 19535 14 1 1 . 1 1 4 4 CYS HA H 4 4.986 4.986 5.011 -0.025 19535 15 1 1 . 1 1 4 4 CYS C C 4 172.658 172.658 173.594 -0.936 19535 16 1 1 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.447 -2.297 19535 17 1 1 . 1 1 4 4 CYS CB C 4 42.390 42.390 30.154 12.236 19535 18 1 1 . 1 1 4 4 CYS H H 4 8.165 8.165 8.552 -0.387 19535 19 1 1 . 1 1 5 5 MET N N 5 118.071 118.071 120.493 -2.422 19535 20 1 1 . 1 1 5 5 MET HA H 5 4.863 4.863 4.894 -0.031 19535 21 1 1 . 1 1 5 5 MET C C 5 175.055 175.055 175.887 -0.832 19535 22 1 1 . 1 1 5 5 MET CA C 5 55.789 55.789 54.449 1.341 19535 23 1 1 . 1 1 5 5 MET CB C 5 34.599 34.599 34.856 -0.257 19535 24 1 1 . 1 1 5 5 MET H H 5 9.075 9.075 8.753 0.322 19535 25 1 1 . 1 1 6 6 THR N N 6 116.953 116.953 113.068 3.885 19535 26 1 1 . 1 1 6 6 THR HA H 6 4.224 4.224 4.572 -0.348 19535 27 1 1 . 1 1 6 6 THR C C 6 174.188 174.188 174.104 0.084 19535 28 1 1 . 1 1 6 6 THR CA C 6 61.777 61.777 60.354 1.423 19535 29 1 1 . 1 1 6 6 THR CB C 6 70.305 70.305 70.155 0.150 19535 30 1 1 . 1 1 6 6 THR H H 6 8.492 8.492 8.483 0.009 19535 31 1 1 . 1 1 7 7 ASP N N 7 123.270 123.270 117.917 5.353 19535 32 1 1 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.259 -0.163 19535 33 1 1 . 1 1 7 7 ASP C C 7 175.284 175.284 176.880 -1.596 19535 34 1 1 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.528 1.296 19535 35 1 1 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.795 -1.584 19535 36 1 1 . 1 1 7 7 ASP H H 7 8.643 8.643 8.335 0.308 19535 37 1 1 . 1 1 8 8 GLY N N 8 111.423 111.423 109.875 1.548 19535 38 1 1 . 1 1 8 8 GLY C C 8 173.117 173.117 174.553 -1.436 19535 39 1 1 . 1 1 8 8 GLY CA C 8 45.100 45.100 44.986 0.114 19535 40 1 1 . 1 1 8 8 GLY H H 8 9.329 9.329 8.410 0.919 19535 41 1 1 . 1 1 9 9 THR N N 9 116.646 116.646 119.959 -3.313 19535 42 1 1 . 1 1 9 9 THR HA H 9 4.320 4.320 4.515 -0.195 19535 43 1 1 . 1 1 9 9 THR C C 9 172.913 172.913 174.336 -1.423 19535 44 1 1 . 1 1 9 9 THR CA C 9 63.312 63.312 62.252 1.060 19535 45 1 1 . 1 1 9 9 THR CB C 9 70.010 70.010 69.535 0.475 19535 46 1 1 . 1 1 9 9 THR H H 9 7.695 7.695 7.492 0.203 19535 47 1 1 . 1 1 10 10 VAL N N 10 127.413 127.413 127.724 -0.311 19535 48 1 1 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.708 0.516 19535 49 1 1 . 1 1 10 10 VAL C C 10 173.194 173.194 176.240 -3.046 19535 50 1 1 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.265 0.194 19535 51 1 1 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.571 0.454 19535 52 1 1 . 1 1 10 10 VAL H H 10 8.605 8.605 8.682 -0.077 19535 53 1 1 . 1 1 11 11 CYS N N 11 120.712 120.712 123.794 -3.082 19535 54 1 1 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.869 0.116 19535 55 1 1 . 1 1 11 11 CYS C C 11 169.701 169.701 173.331 -3.630 19535 56 1 1 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.542 -2.754 19535 57 1 1 . 1 1 11 11 CYS CB C 11 49.168 49.168 31.113 18.055 19535 58 1 1 . 1 1 11 11 CYS H H 11 7.743 7.743 8.113 -0.370 19535 59 1 1 . 1 1 12 12 TYR N N 12 117.867 117.867 120.535 -2.668 19535 60 1 1 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.814 0.153 19535 61 1 1 . 1 1 12 12 TYR C C 12 175.577 175.577 176.751 -1.174 19535 62 1 1 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.305 -0.567 19535 63 1 1 . 1 1 12 12 TYR CB C 12 40.474 40.474 41.827 -1.353 19535 64 1 1 . 1 1 12 12 TYR H H 12 8.324 8.324 8.139 0.185 19535 65 1 1 . 1 1 13 13 ILE N N 13 122.840 122.840 124.269 -1.429 19535 66 1 1 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.919 0.156 19535 67 1 1 . 1 1 13 13 ILE C C 13 175.629 175.629 176.590 -0.961 19535 68 1 1 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.883 -0.041 19535 69 1 1 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.602 0.570 19535 70 1 1 . 1 1 13 13 ILE H H 13 8.502 8.502 8.826 -0.324 19535 71 1 1 . 1 1 14 14 HIS N N 14 117.156 117.156 118.249 -1.093 19535 72 1 1 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.645 0.253 19535 73 1 1 . 1 1 14 14 HIS C C 14 173.219 173.219 174.435 -1.216 19535 74 1 1 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.919 -0.056 19535 75 1 1 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.423 -1.075 19535 76 1 1 . 1 1 14 14 HIS H H 14 8.437 8.437 8.136 0.301 19535 77 1 1 . 1 1 15 15 ASN N N 15 117.243 117.243 118.537 -1.294 19535 78 1 1 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.658 0.279 19535 79 1 1 . 1 1 15 15 ASN C C 15 174.010 174.010 174.361 -0.351 19535 80 1 1 . 1 1 15 15 ASN CA C 15 53.123 53.123 52.993 0.130 19535 81 1 1 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.580 0.166 19535 82 1 1 . 1 1 15 15 ASN H H 15 7.934 7.934 7.570 0.364 19535 83 1 1 . 1 1 16 16 HIS N N 16 118.072 118.072 115.674 2.398 19535 84 1 1 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.201 0.434 19535 85 1 1 . 1 1 16 16 HIS C C 16 173.449 173.449 173.913 -0.464 19535 86 1 1 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.471 -0.831 19535 87 1 1 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.275 1.176 19535 88 1 1 . 1 1 16 16 HIS H H 16 8.402 8.402 8.298 0.104 19535 89 1 1 . 1 1 17 17 ASN N N 17 120.144 120.144 118.255 1.889 19535 90 1 1 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.750 0.165 19535 91 1 1 . 1 1 17 17 ASN C C 17 173.857 173.857 174.729 -0.872 19535 92 1 1 . 1 1 17 17 ASN CA C 17 53.517 53.517 54.218 -0.701 19535 93 1 1 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.284 -0.129 19535 94 1 1 . 1 1 17 17 ASN H H 17 8.567 8.567 7.884 0.683 19535 95 1 1 . 1 1 18 18 ASP N N 18 121.570 121.570 125.027 -3.457 19535 96 1 1 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.939 0.142 19535 97 1 1 . 1 1 18 18 ASP C C 18 175.565 175.565 174.128 1.437 19535 98 1 1 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.704 -0.367 19535 99 1 1 . 1 1 18 18 ASP CB C 18 40.035 40.035 42.022 -1.987 19535 100 1 1 . 1 1 18 18 ASP H H 18 8.623 8.623 8.677 -0.054 19535 101 1 1 . 1 1 19 19 CYS N N 19 119.788 119.788 120.668 -0.880 19535 102 1 1 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.714 0.158 19535 103 1 1 . 1 1 19 19 CYS C C 19 174.188 174.188 175.587 -1.399 19535 104 1 1 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.437 -3.311 19535 105 1 1 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.139 7.030 19535 106 1 1 . 1 1 19 19 CYS H H 19 8.370 8.370 8.727 -0.357 19535 107 1 1 . 1 1 20 20 CYS N N 20 123.247 123.247 124.489 -1.242 19535 108 1 1 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.265 0.343 19535 109 1 1 . 1 1 20 20 CYS C C 20 175.514 175.514 174.821 0.693 19535 110 1 1 . 1 1 20 20 CYS CA C 20 57.344 57.344 61.049 -3.705 19535 111 1 1 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.444 11.767 19535 112 1 1 . 1 1 20 20 CYS H H 20 9.556 9.556 8.995 0.561 19535 113 1 1 . 1 1 21 21 GLY N N 21 109.083 109.083 104.854 4.229 19535 114 1 1 . 1 1 21 21 GLY C C 21 171.945 171.945 173.096 -1.151 19535 115 1 1 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.625 1.492 19535 116 1 1 . 1 1 21 21 GLY H H 21 8.968 8.968 7.897 1.071 19535 117 1 1 . 1 1 22 22 SER N N 22 121.727 121.727 114.830 6.897 19535 118 1 1 . 1 1 22 22 SER HA H 22 4.798 4.798 4.674 0.124 19535 119 1 1 . 1 1 22 22 SER C C 22 170.670 170.670 174.645 -3.975 19535 120 1 1 . 1 1 22 22 SER CA C 22 57.668 57.668 58.106 -0.438 19535 121 1 1 . 1 1 22 22 SER CB C 22 66.662 66.662 64.547 2.115 19535 122 1 1 . 1 1 22 22 SER H H 22 9.116 9.116 8.135 0.981 19535 123 1 1 . 1 1 23 23 CYS N N 23 123.558 123.558 124.165 -0.607 19535 124 1 1 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.695 0.251 19535 125 1 1 . 1 1 23 23 CYS C C 23 171.894 171.894 175.450 -3.556 19535 126 1 1 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.600 -3.735 19535 127 1 1 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.806 12.408 19535 128 1 1 . 1 1 23 23 CYS H H 23 8.848 8.848 8.871 -0.023 19535 129 1 1 . 1 1 24 24 LEU N N 24 131.578 131.578 127.339 4.239 19535 130 1 1 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.660 0.086 19535 131 1 1 . 1 1 24 24 LEU C C 24 175.871 175.871 175.971 -0.100 19535 132 1 1 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.829 0.772 19535 133 1 1 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.071 -0.849 19535 134 1 1 . 1 1 24 24 LEU H H 24 8.582 8.582 8.636 -0.054 19535 135 1 1 . 1 1 25 25 CYS N N 25 122.657 122.657 124.574 -1.917 19535 136 1 1 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.674 0.658 19535 137 1 1 . 1 1 25 25 CYS C C 25 173.806 173.806 175.236 -1.430 19535 138 1 1 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.571 -4.003 19535 139 1 1 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.805 18.489 19535 140 1 1 . 1 1 25 25 CYS H H 25 8.832 8.832 8.944 -0.112 19535 141 1 1 . 1 1 26 26 SER N N 26 117.664 117.664 119.477 -1.813 19535 142 1 1 . 1 1 26 26 SER HA H 26 4.648 4.648 4.555 0.093 19535 143 1 1 . 1 1 26 26 SER C C 26 173.194 173.194 174.046 -0.852 19535 144 1 1 . 1 1 26 26 SER CA C 26 58.458 58.458 57.866 0.592 19535 145 1 1 . 1 1 26 26 SER CB C 26 64.218 64.218 64.205 0.013 19535 146 1 1 . 1 1 26 26 SER H H 26 8.550 8.550 8.442 0.108 19535 147 1 1 . 1 1 27 27 ASN N N 27 120.609 120.609 126.024 -5.415 19535 148 1 1 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.883 0.071 19535 149 1 1 . 1 1 27 27 ASN C C 27 174.341 174.341 175.633 -1.292 19535 150 1 1 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.083 1.415 19535 151 1 1 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.088 0.313 19535 152 1 1 . 1 1 27 27 ASN H H 27 8.663 8.663 8.697 -0.034 19535 153 1 1 . 1 1 28 28 GLY N N 28 109.128 109.128 109.423 -0.295 19535 154 1 1 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.321 0.972 19535 155 1 1 . 1 1 28 28 GLY H H 28 8.232 8.232 7.548 0.684 19535 156 1 1 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.397 0.176 19535 157 1 1 . 1 1 29 29 PRO C C 29 176.100 176.100 176.343 -0.243 19535 158 1 1 . 1 1 29 29 PRO CA C 29 63.446 63.446 62.971 0.475 19535 159 1 1 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.404 -0.263 19535 160 1 1 . 1 1 30 30 ILE N N 30 120.101 120.101 116.695 3.406 19535 161 1 1 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.536 -0.278 19535 162 1 1 . 1 1 30 30 ILE C C 30 174.928 174.928 175.345 -0.417 19535 163 1 1 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.364 0.800 19535 164 1 1 . 1 1 30 30 ILE CB C 30 39.008 39.008 37.754 1.254 19535 165 1 1 . 1 1 30 30 ILE H H 30 8.059 8.059 8.047 0.012 19535 166 1 1 . 1 1 31 31 ALA N N 31 127.003 127.003 130.942 -3.939 19535 167 1 1 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.437 -0.005 19535 168 1 1 . 1 1 31 31 ALA C C 31 176.355 176.355 177.816 -1.461 19535 169 1 1 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.874 0.021 19535 170 1 1 . 1 1 31 31 ALA CB C 31 19.465 19.465 20.038 -0.573 19535 171 1 1 . 1 1 31 31 ALA H H 31 8.303 8.303 8.788 -0.485 19535 172 1 1 . 1 1 32 32 ARG N N 32 118.980 118.980 119.093 -0.113 19535 173 1 1 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.807 -0.328 19535 174 1 1 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.135 0.458 19535 175 1 1 . 1 1 32 32 ARG CB C 32 30.351 30.351 29.848 0.503 19535 176 1 1 . 1 1 32 32 ARG H H 32 7.910 7.910 8.434 -0.523 19535 177 1 1 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.749 -0.360 19535 178 1 1 . 1 1 33 33 PRO C C 33 175.947 175.947 176.561 -0.614 19535 179 1 1 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.106 0.453 19535 180 1 1 . 1 1 33 33 PRO CB C 33 31.935 31.935 32.013 -0.078 19535 181 1 1 . 1 1 34 34 TRP N N 34 116.547 116.547 118.375 -1.828 19535 182 1 1 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.480 0.290 19535 183 1 1 . 1 1 34 34 TRP C C 34 175.488 175.488 177.591 -2.103 19535 184 1 1 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.575 -0.688 19535 185 1 1 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.167 -0.579 19535 186 1 1 . 1 1 34 34 TRP H H 34 7.479 7.479 8.306 -0.827 19535 187 1 1 . 1 1 35 35 GLU N N 35 120.618 120.618 116.486 4.132 19535 188 1 1 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.537 -0.155 19535 189 1 1 . 1 1 35 35 GLU C C 35 174.902 174.902 176.954 -2.052 19535 190 1 1 . 1 1 35 35 GLU CA C 35 56.567 56.567 56.805 -0.238 19535 191 1 1 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.711 -2.391 19535 192 1 1 . 1 1 35 35 GLU H H 35 7.817 7.817 7.788 0.029 19535 193 1 1 . 1 1 36 36 MET N N 36 119.553 119.553 120.000 -0.447 19535 194 1 1 . 1 1 36 36 MET HA H 36 4.535 4.535 4.660 -0.125 19535 195 1 1 . 1 1 36 36 MET C C 36 175.182 175.182 174.522 0.660 19535 196 1 1 . 1 1 36 36 MET CA C 36 56.026 56.026 54.840 1.185 19535 197 1 1 . 1 1 36 36 MET CB C 36 33.032 33.032 34.127 -1.095 19535 198 1 1 . 1 1 36 36 MET H H 36 8.132 8.132 8.302 -0.170 19535 199 1 1 . 1 1 37 37 MET N N 37 120.609 120.609 125.076 -4.467 19535 200 1 1 . 1 1 37 37 MET HA H 37 4.629 4.629 4.586 0.043 19535 201 1 1 . 1 1 37 37 MET C C 37 175.081 175.081 175.495 -0.414 19535 202 1 1 . 1 1 37 37 MET CA C 37 56.043 56.043 55.331 0.712 19535 203 1 1 . 1 1 37 37 MET CB C 37 33.041 33.041 33.036 0.005 19535 204 1 1 . 1 1 37 37 MET H H 37 8.289 8.289 8.685 -0.396 19535 205 1 1 . 1 1 38 38 VAL N N 38 119.594 119.594 128.655 -9.061 19535 206 1 1 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.113 0.225 19535 207 1 1 . 1 1 38 38 VAL C C 38 175.335 175.335 174.831 0.504 19535 208 1 1 . 1 1 38 38 VAL CA C 38 62.647 62.647 62.420 0.227 19535 209 1 1 . 1 1 38 38 VAL CB C 38 32.887 32.887 29.915 2.972 19535 210 1 1 . 1 1 38 38 VAL H H 38 8.054 8.054 8.689 -0.635 19535 211 1 1 . 1 1 39 39 GLY N N 39 111.351 111.351 111.111 0.240 19535 212 1 1 . 1 1 39 39 GLY C C 39 172.429 172.429 173.374 -0.945 19535 213 1 1 . 1 1 39 39 GLY CA C 39 45.473 45.473 45.074 0.399 19535 214 1 1 . 1 1 39 39 GLY H H 39 8.329 8.329 7.676 0.653 19535 215 1 1 . 1 1 40 40 ASN N N 40 118.075 118.075 117.694 0.381 19535 216 1 1 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.901 0.044 19535 217 1 1 . 1 1 40 40 ASN C C 40 173.984 173.984 174.190 -0.206 19535 218 1 1 . 1 1 40 40 ASN CA C 40 53.754 53.754 51.268 2.486 19535 219 1 1 . 1 1 40 40 ASN CB C 40 39.972 39.972 40.029 -0.057 19535 220 1 1 . 1 1 40 40 ASN H H 40 8.359 8.359 7.872 0.487 19535 221 1 1 . 1 1 41 41 CYS N N 41 120.609 120.609 119.278 1.331 19535 222 1 1 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.722 0.816 19535 223 1 1 . 1 1 41 41 CYS C C 41 172.689 172.689 173.986 -1.297 19535 224 1 1 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.226 -1.909 19535 225 1 1 . 1 1 41 41 CYS CB C 41 48.409 48.409 29.013 19.396 19535 226 1 1 . 1 1 41 41 CYS H H 41 8.653 8.653 8.646 0.007 19535 227 1 1 . 1 1 42 42 MET N N 42 120.998 120.998 120.782 0.216 19535 228 1 1 . 1 1 42 42 MET HA H 42 5.164 5.164 4.752 0.412 19535 229 1 1 . 1 1 42 42 MET C C 42 175.208 175.208 174.773 0.435 19535 230 1 1 . 1 1 42 42 MET CA C 42 54.853 54.853 54.514 0.339 19535 231 1 1 . 1 1 42 42 MET CB C 42 37.960 37.960 37.871 0.089 19535 232 1 1 . 1 1 42 42 MET H H 42 8.967 8.967 8.476 0.491 19535 233 1 1 . 1 1 43 43 CYS N N 43 122.297 122.297 118.477 3.820 19535 234 1 1 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.380 1.125 19535 235 1 1 . 1 1 43 43 CYS C C 43 175.820 175.820 175.105 0.715 19535 236 1 1 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.260 -6.766 19535 237 1 1 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.856 8.851 19535 238 1 1 . 1 1 43 43 CYS H H 43 9.478 9.478 8.294 1.184 19535 239 1 1 . 1 1 44 44 GLY N N 44 114.932 114.932 109.025 5.907 19535 240 1 1 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.855 1.770 19535 241 1 1 . 1 1 44 44 GLY H H 44 9.712 9.712 7.758 1.954 19535 242 1 1 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.606 0.010 19535 243 1 1 . 1 1 45 45 PRO C C 45 175.386 175.386 176.040 -0.654 19535 244 1 1 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.819 0.121 19535 245 1 1 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.926 -0.701 19535 246 1 1 . 1 1 46 46 LYS N N 46 121.021 121.021 121.724 -0.703 19535 247 1 1 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.417 -0.139 19535 248 1 1 . 1 1 46 46 LYS C C 46 174.902 174.902 175.894 -0.992 19535 249 1 1 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.111 0.696 19535 250 1 1 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.661 0.872 19535 251 1 1 . 1 1 46 46 LYS H H 46 8.421 8.421 8.246 0.175 19535 252 1 2 . 1 1 2 2 LYS N N 2 122.024 122.024 123.746 -1.722 19535 253 1 2 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.426 0.103 19535 254 1 2 . 1 1 2 2 LYS C C 2 175.284 175.284 175.573 -0.289 19535 255 1 2 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.258 0.500 19535 256 1 2 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.431 -0.077 19535 257 1 2 . 1 1 2 2 LYS H H 2 8.776 8.776 8.148 0.628 19535 258 1 2 . 1 1 3 3 GLU N N 3 122.436 122.436 121.501 0.935 19535 259 1 2 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.612 -0.008 19535 260 1 2 . 1 1 3 3 GLU C C 3 174.367 174.367 175.762 -1.395 19535 261 1 2 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.825 0.096 19535 262 1 2 . 1 1 3 3 GLU CB C 3 29.309 29.309 29.606 -0.297 19535 263 1 2 . 1 1 3 3 GLU H H 3 8.583 8.583 8.593 -0.010 19535 264 1 2 . 1 1 4 4 CYS N N 4 117.664 117.664 121.207 -3.543 19535 265 1 2 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.873 0.113 19535 266 1 2 . 1 1 4 4 CYS C C 4 172.658 172.658 174.463 -1.805 19535 267 1 2 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.704 -2.554 19535 268 1 2 . 1 1 4 4 CYS CB C 4 42.390 42.390 29.906 12.484 19535 269 1 2 . 1 1 4 4 CYS H H 4 8.165 8.165 8.450 -0.285 19535 270 1 2 . 1 1 5 5 MET N N 5 118.071 118.071 120.442 -2.371 19535 271 1 2 . 1 1 5 5 MET HA H 5 4.863 4.863 4.909 -0.046 19535 272 1 2 . 1 1 5 5 MET C C 5 175.055 175.055 176.040 -0.985 19535 273 1 2 . 1 1 5 5 MET CA C 5 55.789 55.789 54.688 1.101 19535 274 1 2 . 1 1 5 5 MET CB C 5 34.599 34.599 35.975 -1.376 19535 275 1 2 . 1 1 5 5 MET H H 5 9.075 9.075 8.756 0.319 19535 276 1 2 . 1 1 6 6 THR N N 6 116.953 116.953 113.325 3.628 19535 277 1 2 . 1 1 6 6 THR HA H 6 4.224 4.224 4.486 -0.262 19535 278 1 2 . 1 1 6 6 THR C C 6 174.188 174.188 174.045 0.143 19535 279 1 2 . 1 1 6 6 THR CA C 6 61.777 61.777 60.580 1.197 19535 280 1 2 . 1 1 6 6 THR CB C 6 70.305 70.305 69.703 0.602 19535 281 1 2 . 1 1 6 6 THR H H 6 8.492 8.492 8.439 0.053 19535 282 1 2 . 1 1 7 7 ASP N N 7 123.270 123.270 118.022 5.248 19535 283 1 2 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.218 -0.122 19535 284 1 2 . 1 1 7 7 ASP C C 7 175.284 175.284 177.109 -1.825 19535 285 1 2 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.000 1.824 19535 286 1 2 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.734 -1.523 19535 287 1 2 . 1 1 7 7 ASP H H 7 8.643 8.643 8.321 0.322 19535 288 1 2 . 1 1 8 8 GLY N N 8 111.423 111.423 110.599 0.824 19535 289 1 2 . 1 1 8 8 GLY C C 8 173.117 173.117 174.486 -1.369 19535 290 1 2 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.045 0.054 19535 291 1 2 . 1 1 8 8 GLY H H 8 9.329 9.329 8.367 0.962 19535 292 1 2 . 1 1 9 9 THR N N 9 116.646 116.646 120.061 -3.415 19535 293 1 2 . 1 1 9 9 THR HA H 9 4.320 4.320 4.520 -0.200 19535 294 1 2 . 1 1 9 9 THR C C 9 172.913 172.913 174.290 -1.377 19535 295 1 2 . 1 1 9 9 THR CA C 9 63.312 63.312 62.373 0.939 19535 296 1 2 . 1 1 9 9 THR CB C 9 70.010 70.010 69.527 0.483 19535 297 1 2 . 1 1 9 9 THR H H 9 7.695 7.695 7.465 0.230 19535 298 1 2 . 1 1 10 10 VAL N N 10 127.413 127.413 127.858 -0.445 19535 299 1 2 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.726 0.498 19535 300 1 2 . 1 1 10 10 VAL C C 10 173.194 173.194 176.113 -2.919 19535 301 1 2 . 1 1 10 10 VAL CA C 10 64.459 64.459 63.843 0.616 19535 302 1 2 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.663 0.362 19535 303 1 2 . 1 1 10 10 VAL H H 10 8.605 8.605 8.643 -0.038 19535 304 1 2 . 1 1 11 11 CYS N N 11 120.712 120.712 123.220 -2.508 19535 305 1 2 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.885 0.099 19535 306 1 2 . 1 1 11 11 CYS C C 11 169.701 169.701 173.371 -3.670 19535 307 1 2 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.653 -2.865 19535 308 1 2 . 1 1 11 11 CYS CB C 11 49.168 49.168 31.104 18.064 19535 309 1 2 . 1 1 11 11 CYS H H 11 7.743 7.743 8.141 -0.398 19535 310 1 2 . 1 1 12 12 TYR N N 12 117.867 117.867 120.381 -2.514 19535 311 1 2 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.824 0.143 19535 312 1 2 . 1 1 12 12 TYR C C 12 175.577 175.577 176.804 -1.227 19535 313 1 2 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.292 -0.554 19535 314 1 2 . 1 1 12 12 TYR CB C 12 40.474 40.474 41.724 -1.250 19535 315 1 2 . 1 1 12 12 TYR H H 12 8.324 8.324 8.174 0.150 19535 316 1 2 . 1 1 13 13 ILE N N 13 122.840 122.840 124.136 -1.296 19535 317 1 2 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.915 0.160 19535 318 1 2 . 1 1 13 13 ILE C C 13 175.629 175.629 176.624 -0.995 19535 319 1 2 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.780 0.062 19535 320 1 2 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.575 0.597 19535 321 1 2 . 1 1 13 13 ILE H H 13 8.502 8.502 8.803 -0.301 19535 322 1 2 . 1 1 14 14 HIS N N 14 117.156 117.156 118.228 -1.072 19535 323 1 2 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.644 0.254 19535 324 1 2 . 1 1 14 14 HIS C C 14 173.219 173.219 174.498 -1.279 19535 325 1 2 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.949 -0.086 19535 326 1 2 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.351 -1.002 19535 327 1 2 . 1 1 14 14 HIS H H 14 8.437 8.437 8.167 0.270 19535 328 1 2 . 1 1 15 15 ASN N N 15 117.243 117.243 118.112 -0.869 19535 329 1 2 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.789 0.148 19535 330 1 2 . 1 1 15 15 ASN C C 15 174.010 174.010 174.123 -0.113 19535 331 1 2 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.138 -0.015 19535 332 1 2 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.234 0.511 19535 333 1 2 . 1 1 15 15 ASN H H 15 7.934 7.934 7.626 0.308 19535 334 1 2 . 1 1 16 16 HIS N N 16 118.072 118.072 114.665 3.407 19535 335 1 2 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.168 0.467 19535 336 1 2 . 1 1 16 16 HIS C C 16 173.449 173.449 174.022 -0.573 19535 337 1 2 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.596 -0.956 19535 338 1 2 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.347 1.104 19535 339 1 2 . 1 1 16 16 HIS H H 16 8.402 8.402 8.310 0.092 19535 340 1 2 . 1 1 17 17 ASN N N 17 120.144 120.144 117.723 2.421 19535 341 1 2 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.731 0.184 19535 342 1 2 . 1 1 17 17 ASN C C 17 173.857 173.857 174.667 -0.810 19535 343 1 2 . 1 1 17 17 ASN CA C 17 53.517 53.517 54.130 -0.613 19535 344 1 2 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.223 -0.068 19535 345 1 2 . 1 1 17 17 ASN H H 17 8.567 8.567 7.846 0.721 19535 346 1 2 . 1 1 18 18 ASP N N 18 121.570 121.570 125.013 -3.443 19535 347 1 2 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.807 0.275 19535 348 1 2 . 1 1 18 18 ASP C C 18 175.565 175.565 174.009 1.556 19535 349 1 2 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.206 0.131 19535 350 1 2 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.940 -1.905 19535 351 1 2 . 1 1 18 18 ASP H H 18 8.623 8.623 8.627 -0.004 19535 352 1 2 . 1 1 19 19 CYS N N 19 119.788 119.788 121.770 -1.982 19535 353 1 2 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.684 0.188 19535 354 1 2 . 1 1 19 19 CYS C C 19 174.188 174.188 175.624 -1.436 19535 355 1 2 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.380 -3.253 19535 356 1 2 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.278 6.891 19535 357 1 2 . 1 1 19 19 CYS H H 19 8.370 8.370 8.665 -0.295 19535 358 1 2 . 1 1 20 20 CYS N N 20 123.247 123.247 124.082 -0.835 19535 359 1 2 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.285 0.323 19535 360 1 2 . 1 1 20 20 CYS C C 20 175.514 175.514 175.577 -0.063 19535 361 1 2 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.606 -3.262 19535 362 1 2 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.360 11.851 19535 363 1 2 . 1 1 20 20 CYS H H 20 9.556 9.556 8.942 0.614 19535 364 1 2 . 1 1 21 21 GLY N N 21 109.083 109.083 106.314 2.769 19535 365 1 2 . 1 1 21 21 GLY C C 21 171.945 171.945 172.906 -0.961 19535 366 1 2 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.657 1.460 19535 367 1 2 . 1 1 21 21 GLY H H 21 8.968 8.968 7.933 1.035 19535 368 1 2 . 1 1 22 22 SER N N 22 121.727 121.727 114.679 7.048 19535 369 1 2 . 1 1 22 22 SER HA H 22 4.798 4.798 4.647 0.151 19535 370 1 2 . 1 1 22 22 SER C C 22 170.670 170.670 174.578 -3.908 19535 371 1 2 . 1 1 22 22 SER CA C 22 57.668 57.668 57.447 0.221 19535 372 1 2 . 1 1 22 22 SER CB C 22 66.662 66.662 64.571 2.091 19535 373 1 2 . 1 1 22 22 SER H H 22 9.116 9.116 8.089 1.027 19535 374 1 2 . 1 1 23 23 CYS N N 23 123.558 123.558 124.350 -0.792 19535 375 1 2 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.702 0.244 19535 376 1 2 . 1 1 23 23 CYS C C 23 171.894 171.894 175.274 -3.380 19535 377 1 2 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.557 -3.692 19535 378 1 2 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.636 12.578 19535 379 1 2 . 1 1 23 23 CYS H H 23 8.848 8.848 8.861 -0.013 19535 380 1 2 . 1 1 24 24 LEU N N 24 131.578 131.578 127.185 4.393 19535 381 1 2 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.680 0.066 19535 382 1 2 . 1 1 24 24 LEU C C 24 175.871 175.871 175.925 -0.054 19535 383 1 2 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.804 0.797 19535 384 1 2 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.579 -1.357 19535 385 1 2 . 1 1 24 24 LEU H H 24 8.582 8.582 8.631 -0.049 19535 386 1 2 . 1 1 25 25 CYS N N 25 122.657 122.657 124.546 -1.889 19535 387 1 2 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.689 0.643 19535 388 1 2 . 1 1 25 25 CYS C C 25 173.806 173.806 175.133 -1.327 19535 389 1 2 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.225 -3.658 19535 390 1 2 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.752 18.543 19535 391 1 2 . 1 1 25 25 CYS H H 25 8.832 8.832 8.906 -0.074 19535 392 1 2 . 1 1 26 26 SER N N 26 117.664 117.664 119.938 -2.274 19535 393 1 2 . 1 1 26 26 SER HA H 26 4.648 4.648 4.487 0.161 19535 394 1 2 . 1 1 26 26 SER C C 26 173.194 173.194 173.760 -0.566 19535 395 1 2 . 1 1 26 26 SER CA C 26 58.458 58.458 58.632 -0.174 19535 396 1 2 . 1 1 26 26 SER CB C 26 64.218 64.218 63.946 0.272 19535 397 1 2 . 1 1 26 26 SER H H 26 8.550 8.550 8.415 0.135 19535 398 1 2 . 1 1 27 27 ASN N N 27 120.609 120.609 126.234 -5.625 19535 399 1 2 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.918 0.036 19535 400 1 2 . 1 1 27 27 ASN C C 27 174.341 174.341 175.711 -1.370 19535 401 1 2 . 1 1 27 27 ASN CA C 27 53.498 53.498 51.860 1.638 19535 402 1 2 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.560 -0.159 19535 403 1 2 . 1 1 27 27 ASN H H 27 8.663 8.663 8.699 -0.036 19535 404 1 2 . 1 1 28 28 GLY N N 28 109.128 109.128 109.525 -0.397 19535 405 1 2 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.364 0.929 19535 406 1 2 . 1 1 28 28 GLY H H 28 8.232 8.232 7.735 0.497 19535 407 1 2 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.403 0.170 19535 408 1 2 . 1 1 29 29 PRO C C 29 176.100 176.100 176.144 -0.044 19535 409 1 2 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.160 0.286 19535 410 1 2 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.111 0.030 19535 411 1 2 . 1 1 30 30 ILE N N 30 120.101 120.101 117.594 2.507 19535 412 1 2 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.540 -0.282 19535 413 1 2 . 1 1 30 30 ILE C C 30 174.928 174.928 175.242 -0.314 19535 414 1 2 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.486 0.678 19535 415 1 2 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.954 0.054 19535 416 1 2 . 1 1 30 30 ILE H H 30 8.059 8.059 8.061 -0.002 19535 417 1 2 . 1 1 31 31 ALA N N 31 127.003 127.003 130.327 -3.324 19535 418 1 2 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.448 -0.016 19535 419 1 2 . 1 1 31 31 ALA C C 31 176.355 176.355 177.685 -1.330 19535 420 1 2 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.572 0.324 19535 421 1 2 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.893 -0.428 19535 422 1 2 . 1 1 31 31 ALA H H 31 8.303 8.303 8.689 -0.386 19535 423 1 2 . 1 1 32 32 ARG N N 32 118.980 118.980 120.035 -1.055 19535 424 1 2 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.829 -0.350 19535 425 1 2 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.106 0.487 19535 426 1 2 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.574 -0.223 19535 427 1 2 . 1 1 32 32 ARG H H 32 7.910 7.910 8.290 -0.380 19535 428 1 2 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.772 -0.383 19535 429 1 2 . 1 1 33 33 PRO C C 33 175.947 175.947 176.976 -1.029 19535 430 1 2 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.178 0.381 19535 431 1 2 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.986 -0.051 19535 432 1 2 . 1 1 34 34 TRP N N 34 116.547 116.547 119.933 -3.386 19535 433 1 2 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.524 0.245 19535 434 1 2 . 1 1 34 34 TRP C C 34 175.488 175.488 177.422 -1.934 19535 435 1 2 . 1 1 34 34 TRP CA C 34 57.887 57.887 59.520 -1.633 19535 436 1 2 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.453 -0.865 19535 437 1 2 . 1 1 34 34 TRP H H 34 7.479 7.479 8.527 -1.048 19535 438 1 2 . 1 1 35 35 GLU N N 35 120.618 120.618 116.944 3.674 19535 439 1 2 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.559 -0.177 19535 440 1 2 . 1 1 35 35 GLU C C 35 174.902 174.902 177.124 -2.222 19535 441 1 2 . 1 1 35 35 GLU CA C 35 56.567 56.567 56.615 -0.048 19535 442 1 2 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.340 -2.020 19535 443 1 2 . 1 1 35 35 GLU H H 35 7.817 7.817 7.842 -0.025 19535 444 1 2 . 1 1 36 36 MET N N 36 119.553 119.553 121.765 -2.212 19535 445 1 2 . 1 1 36 36 MET HA H 36 4.535 4.535 4.784 -0.249 19535 446 1 2 . 1 1 36 36 MET C C 36 175.182 175.182 174.565 0.617 19535 447 1 2 . 1 1 36 36 MET CA C 36 56.026 56.026 54.531 1.495 19535 448 1 2 . 1 1 36 36 MET CB C 36 33.032 33.032 33.356 -0.324 19535 449 1 2 . 1 1 36 36 MET H H 36 8.132 8.132 8.216 -0.084 19535 450 1 2 . 1 1 37 37 MET N N 37 120.609 120.609 125.998 -5.389 19535 451 1 2 . 1 1 37 37 MET HA H 37 4.629 4.629 4.695 -0.066 19535 452 1 2 . 1 1 37 37 MET C C 37 175.081 175.081 174.925 0.156 19535 453 1 2 . 1 1 37 37 MET CA C 37 56.043 56.043 54.704 1.339 19535 454 1 2 . 1 1 37 37 MET CB C 37 33.041 33.041 32.789 0.252 19535 455 1 2 . 1 1 37 37 MET H H 37 8.289 8.289 8.702 -0.413 19535 456 1 2 . 1 1 38 38 VAL N N 38 119.594 119.594 125.943 -6.349 19535 457 1 2 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.376 -0.038 19535 458 1 2 . 1 1 38 38 VAL C C 38 175.335 175.335 175.674 -0.339 19535 459 1 2 . 1 1 38 38 VAL CA C 38 62.647 62.647 61.250 1.397 19535 460 1 2 . 1 1 38 38 VAL CB C 38 32.887 32.887 33.716 -0.829 19535 461 1 2 . 1 1 38 38 VAL H H 38 8.054 8.054 8.366 -0.312 19535 462 1 2 . 1 1 39 39 GLY N N 39 111.351 111.351 114.068 -2.717 19535 463 1 2 . 1 1 39 39 GLY C C 39 172.429 172.429 174.115 -1.686 19535 464 1 2 . 1 1 39 39 GLY CA C 39 45.473 45.473 45.405 0.068 19535 465 1 2 . 1 1 39 39 GLY H H 39 8.329 8.329 8.679 -0.350 19535 466 1 2 . 1 1 40 40 ASN N N 40 118.075 118.075 119.373 -1.298 19535 467 1 2 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.542 0.403 19535 468 1 2 . 1 1 40 40 ASN C C 40 173.984 173.984 174.349 -0.365 19535 469 1 2 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.968 0.786 19535 470 1 2 . 1 1 40 40 ASN CB C 40 39.972 39.972 38.666 1.306 19535 471 1 2 . 1 1 40 40 ASN H H 40 8.359 8.359 7.940 0.419 19535 472 1 2 . 1 1 41 41 CYS N N 41 120.609 120.609 118.151 2.458 19535 473 1 2 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.879 0.659 19535 474 1 2 . 1 1 41 41 CYS C C 41 172.689 172.689 174.199 -1.510 19535 475 1 2 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.382 -2.065 19535 476 1 2 . 1 1 41 41 CYS CB C 41 48.409 48.409 29.325 19.084 19535 477 1 2 . 1 1 41 41 CYS H H 41 8.653 8.653 8.579 0.074 19535 478 1 2 . 1 1 42 42 MET N N 42 120.998 120.998 120.228 0.770 19535 479 1 2 . 1 1 42 42 MET HA H 42 5.164 5.164 4.767 0.397 19535 480 1 2 . 1 1 42 42 MET C C 42 175.208 175.208 174.745 0.463 19535 481 1 2 . 1 1 42 42 MET CA C 42 54.853 54.853 54.476 0.377 19535 482 1 2 . 1 1 42 42 MET CB C 42 37.960 37.960 37.928 0.032 19535 483 1 2 . 1 1 42 42 MET H H 42 8.967 8.967 8.368 0.599 19535 484 1 2 . 1 1 43 43 CYS N N 43 122.297 122.297 118.431 3.866 19535 485 1 2 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.385 1.120 19535 486 1 2 . 1 1 43 43 CYS C C 43 175.820 175.820 175.089 0.731 19535 487 1 2 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.291 -6.797 19535 488 1 2 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.880 8.827 19535 489 1 2 . 1 1 43 43 CYS H H 43 9.478 9.478 8.289 1.189 19535 490 1 2 . 1 1 44 44 GLY N N 44 114.932 114.932 109.094 5.838 19535 491 1 2 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.903 1.722 19535 492 1 2 . 1 1 44 44 GLY H H 44 9.712 9.712 7.783 1.929 19535 493 1 2 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.524 0.092 19535 494 1 2 . 1 1 45 45 PRO C C 45 175.386 175.386 176.185 -0.799 19535 495 1 2 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.810 0.129 19535 496 1 2 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.591 -0.366 19535 497 1 2 . 1 1 46 46 LYS N N 46 121.021 121.021 121.684 -0.663 19535 498 1 2 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.425 -0.147 19535 499 1 2 . 1 1 46 46 LYS C C 46 174.902 174.902 175.905 -1.003 19535 500 1 2 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.018 0.789 19535 501 1 2 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.804 0.729 19535 502 1 2 . 1 1 46 46 LYS H H 46 8.421 8.421 8.201 0.220 19535 503 1 3 . 1 1 2 2 LYS N N 2 122.024 122.024 123.825 -1.801 19535 504 1 3 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.232 0.297 19535 505 1 3 . 1 1 2 2 LYS C C 2 175.284 175.284 175.857 -0.573 19535 506 1 3 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.903 -0.145 19535 507 1 3 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.042 0.312 19535 508 1 3 . 1 1 2 2 LYS H H 2 8.776 8.776 7.905 0.871 19535 509 1 3 . 1 1 3 3 GLU N N 3 122.436 122.436 125.186 -2.750 19535 510 1 3 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.448 0.156 19535 511 1 3 . 1 1 3 3 GLU C C 3 174.367 174.367 176.109 -1.742 19535 512 1 3 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.627 0.294 19535 513 1 3 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.619 0.691 19535 514 1 3 . 1 1 3 3 GLU H H 3 8.583 8.583 8.584 -0.001 19535 515 1 3 . 1 1 4 4 CYS N N 4 117.664 117.664 119.810 -2.146 19535 516 1 3 . 1 1 4 4 CYS HA H 4 4.986 4.986 5.038 -0.052 19535 517 1 3 . 1 1 4 4 CYS C C 4 172.658 172.658 173.953 -1.295 19535 518 1 3 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.018 -1.868 19535 519 1 3 . 1 1 4 4 CYS CB C 4 42.390 42.390 30.407 11.983 19535 520 1 3 . 1 1 4 4 CYS H H 4 8.165 8.165 8.246 -0.081 19535 521 1 3 . 1 1 5 5 MET N N 5 118.071 118.071 119.501 -1.430 19535 522 1 3 . 1 1 5 5 MET HA H 5 4.863 4.863 4.910 -0.047 19535 523 1 3 . 1 1 5 5 MET C C 5 175.055 175.055 175.981 -0.926 19535 524 1 3 . 1 1 5 5 MET CA C 5 55.789 55.789 54.524 1.265 19535 525 1 3 . 1 1 5 5 MET CB C 5 34.599 34.599 35.367 -0.768 19535 526 1 3 . 1 1 5 5 MET H H 5 9.075 9.075 8.748 0.327 19535 527 1 3 . 1 1 6 6 THR N N 6 116.953 116.953 113.120 3.833 19535 528 1 3 . 1 1 6 6 THR HA H 6 4.224 4.224 4.561 -0.337 19535 529 1 3 . 1 1 6 6 THR C C 6 174.188 174.188 174.189 -0.001 19535 530 1 3 . 1 1 6 6 THR CA C 6 61.777 61.777 60.398 1.379 19535 531 1 3 . 1 1 6 6 THR CB C 6 70.305 70.305 70.026 0.279 19535 532 1 3 . 1 1 6 6 THR H H 6 8.492 8.492 8.463 0.029 19535 533 1 3 . 1 1 7 7 ASP N N 7 123.270 123.270 118.702 4.568 19535 534 1 3 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.248 -0.152 19535 535 1 3 . 1 1 7 7 ASP C C 7 175.284 175.284 177.036 -1.752 19535 536 1 3 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.902 0.922 19535 537 1 3 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.855 -1.644 19535 538 1 3 . 1 1 7 7 ASP H H 7 8.643 8.643 8.388 0.255 19535 539 1 3 . 1 1 8 8 GLY N N 8 111.423 111.423 110.004 1.419 19535 540 1 3 . 1 1 8 8 GLY C C 8 173.117 173.117 174.546 -1.429 19535 541 1 3 . 1 1 8 8 GLY CA C 8 45.100 45.100 44.975 0.125 19535 542 1 3 . 1 1 8 8 GLY H H 8 9.329 9.329 8.428 0.901 19535 543 1 3 . 1 1 9 9 THR N N 9 116.646 116.646 119.973 -3.327 19535 544 1 3 . 1 1 9 9 THR HA H 9 4.320 4.320 4.501 -0.181 19535 545 1 3 . 1 1 9 9 THR C C 9 172.913 172.913 174.341 -1.428 19535 546 1 3 . 1 1 9 9 THR CA C 9 63.312 63.312 62.307 1.005 19535 547 1 3 . 1 1 9 9 THR CB C 9 70.010 70.010 69.557 0.453 19535 548 1 3 . 1 1 9 9 THR H H 9 7.695 7.695 7.492 0.203 19535 549 1 3 . 1 1 10 10 VAL N N 10 127.413 127.413 127.641 -0.228 19535 550 1 3 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.666 0.558 19535 551 1 3 . 1 1 10 10 VAL C C 10 173.194 173.194 176.099 -2.905 19535 552 1 3 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.552 -0.093 19535 553 1 3 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.654 0.372 19535 554 1 3 . 1 1 10 10 VAL H H 10 8.605 8.605 8.649 -0.044 19535 555 1 3 . 1 1 11 11 CYS N N 11 120.712 120.712 123.362 -2.650 19535 556 1 3 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.822 0.162 19535 557 1 3 . 1 1 11 11 CYS C C 11 169.701 169.701 173.264 -3.563 19535 558 1 3 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.535 -2.747 19535 559 1 3 . 1 1 11 11 CYS CB C 11 49.168 49.168 31.107 18.061 19535 560 1 3 . 1 1 11 11 CYS H H 11 7.743 7.743 8.068 -0.325 19535 561 1 3 . 1 1 12 12 TYR N N 12 117.867 117.867 120.293 -2.426 19535 562 1 3 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.817 0.150 19535 563 1 3 . 1 1 12 12 TYR C C 12 175.577 175.577 176.829 -1.252 19535 564 1 3 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.276 -0.538 19535 565 1 3 . 1 1 12 12 TYR CB C 12 40.474 40.474 41.752 -1.278 19535 566 1 3 . 1 1 12 12 TYR H H 12 8.324 8.324 8.125 0.199 19535 567 1 3 . 1 1 13 13 ILE N N 13 122.840 122.840 124.110 -1.270 19535 568 1 3 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.929 0.146 19535 569 1 3 . 1 1 13 13 ILE C C 13 175.629 175.629 176.639 -1.010 19535 570 1 3 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.795 0.047 19535 571 1 3 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.611 0.561 19535 572 1 3 . 1 1 13 13 ILE H H 13 8.502 8.502 8.858 -0.356 19535 573 1 3 . 1 1 14 14 HIS N N 14 117.156 117.156 118.256 -1.100 19535 574 1 3 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.600 0.298 19535 575 1 3 . 1 1 14 14 HIS C C 14 173.219 173.219 174.411 -1.192 19535 576 1 3 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.854 0.009 19535 577 1 3 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.261 -0.913 19535 578 1 3 . 1 1 14 14 HIS H H 14 8.437 8.437 8.158 0.279 19535 579 1 3 . 1 1 15 15 ASN N N 15 117.243 117.243 118.093 -0.850 19535 580 1 3 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.694 0.243 19535 581 1 3 . 1 1 15 15 ASN C C 15 174.010 174.010 174.050 -0.040 19535 582 1 3 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.023 0.101 19535 583 1 3 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.208 0.538 19535 584 1 3 . 1 1 15 15 ASN H H 15 7.934 7.934 7.585 0.349 19535 585 1 3 . 1 1 16 16 HIS N N 16 118.072 118.072 114.628 3.444 19535 586 1 3 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.179 0.456 19535 587 1 3 . 1 1 16 16 HIS C C 16 173.449 173.449 174.038 -0.589 19535 588 1 3 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.540 -0.900 19535 589 1 3 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.172 1.279 19535 590 1 3 . 1 1 16 16 HIS H H 16 8.402 8.402 8.300 0.102 19535 591 1 3 . 1 1 17 17 ASN N N 17 120.144 120.144 118.411 1.733 19535 592 1 3 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.732 0.182 19535 593 1 3 . 1 1 17 17 ASN C C 17 173.857 173.857 174.746 -0.889 19535 594 1 3 . 1 1 17 17 ASN CA C 17 53.517 53.517 54.212 -0.695 19535 595 1 3 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.264 -0.109 19535 596 1 3 . 1 1 17 17 ASN H H 17 8.567 8.567 7.863 0.704 19535 597 1 3 . 1 1 18 18 ASP N N 18 121.570 121.570 125.056 -3.486 19535 598 1 3 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.941 0.141 19535 599 1 3 . 1 1 18 18 ASP C C 18 175.565 175.565 174.135 1.430 19535 600 1 3 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.647 -0.310 19535 601 1 3 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.772 -1.737 19535 602 1 3 . 1 1 18 18 ASP H H 18 8.623 8.623 8.683 -0.060 19535 603 1 3 . 1 1 19 19 CYS N N 19 119.788 119.788 120.583 -0.795 19535 604 1 3 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.719 0.153 19535 605 1 3 . 1 1 19 19 CYS C C 19 174.188 174.188 175.621 -1.433 19535 606 1 3 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.545 -3.419 19535 607 1 3 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.214 6.955 19535 608 1 3 . 1 1 19 19 CYS H H 19 8.370 8.370 8.722 -0.352 19535 609 1 3 . 1 1 20 20 CYS N N 20 123.247 123.247 124.380 -1.133 19535 610 1 3 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.309 0.299 19535 611 1 3 . 1 1 20 20 CYS C C 20 175.514 175.514 175.417 0.097 19535 612 1 3 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.551 -3.207 19535 613 1 3 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.326 11.885 19535 614 1 3 . 1 1 20 20 CYS H H 20 9.556 9.556 9.047 0.509 19535 615 1 3 . 1 1 21 21 GLY N N 21 109.083 109.083 106.364 2.719 19535 616 1 3 . 1 1 21 21 GLY C C 21 171.945 171.945 173.005 -1.060 19535 617 1 3 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.877 1.240 19535 618 1 3 . 1 1 21 21 GLY H H 21 8.968 8.968 7.980 0.988 19535 619 1 3 . 1 1 22 22 SER N N 22 121.727 121.727 114.673 7.054 19535 620 1 3 . 1 1 22 22 SER HA H 22 4.798 4.798 4.682 0.116 19535 621 1 3 . 1 1 22 22 SER C C 22 170.670 170.670 174.791 -4.121 19535 622 1 3 . 1 1 22 22 SER CA C 22 57.668 57.668 57.902 -0.234 19535 623 1 3 . 1 1 22 22 SER CB C 22 66.662 66.662 64.594 2.067 19535 624 1 3 . 1 1 22 22 SER H H 22 9.116 9.116 8.057 1.059 19535 625 1 3 . 1 1 23 23 CYS N N 23 123.558 123.558 124.598 -1.040 19535 626 1 3 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.686 0.260 19535 627 1 3 . 1 1 23 23 CYS C C 23 171.894 171.894 175.259 -3.365 19535 628 1 3 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.630 -3.765 19535 629 1 3 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.829 12.385 19535 630 1 3 . 1 1 23 23 CYS H H 23 8.848 8.848 8.868 -0.020 19535 631 1 3 . 1 1 24 24 LEU N N 24 131.578 131.578 127.344 4.234 19535 632 1 3 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.659 0.087 19535 633 1 3 . 1 1 24 24 LEU C C 24 175.871 175.871 175.964 -0.093 19535 634 1 3 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.818 0.783 19535 635 1 3 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.102 -0.880 19535 636 1 3 . 1 1 24 24 LEU H H 24 8.582 8.582 8.655 -0.073 19535 637 1 3 . 1 1 25 25 CYS N N 25 122.657 122.657 124.906 -2.249 19535 638 1 3 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.649 0.683 19535 639 1 3 . 1 1 25 25 CYS C C 25 173.806 173.806 175.306 -1.500 19535 640 1 3 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.299 -3.732 19535 641 1 3 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.782 18.513 19535 642 1 3 . 1 1 25 25 CYS H H 25 8.832 8.832 8.906 -0.074 19535 643 1 3 . 1 1 26 26 SER N N 26 117.664 117.664 120.003 -2.339 19535 644 1 3 . 1 1 26 26 SER HA H 26 4.648 4.648 4.435 0.213 19535 645 1 3 . 1 1 26 26 SER C C 26 173.194 173.194 174.015 -0.821 19535 646 1 3 . 1 1 26 26 SER CA C 26 58.458 58.458 58.711 -0.253 19535 647 1 3 . 1 1 26 26 SER CB C 26 64.218 64.218 63.939 0.279 19535 648 1 3 . 1 1 26 26 SER H H 26 8.550 8.550 8.367 0.183 19535 649 1 3 . 1 1 27 27 ASN N N 27 120.609 120.609 126.518 -5.909 19535 650 1 3 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.852 0.102 19535 651 1 3 . 1 1 27 27 ASN C C 27 174.341 174.341 175.632 -1.291 19535 652 1 3 . 1 1 27 27 ASN CA C 27 53.498 53.498 51.949 1.549 19535 653 1 3 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.186 0.215 19535 654 1 3 . 1 1 27 27 ASN H H 27 8.663 8.663 8.542 0.121 19535 655 1 3 . 1 1 28 28 GLY N N 28 109.128 109.128 109.117 0.011 19535 656 1 3 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.350 0.943 19535 657 1 3 . 1 1 28 28 GLY H H 28 8.232 8.232 7.711 0.521 19535 658 1 3 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.379 0.194 19535 659 1 3 . 1 1 29 29 PRO C C 29 176.100 176.100 176.339 -0.239 19535 660 1 3 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.158 0.288 19535 661 1 3 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.201 -0.060 19535 662 1 3 . 1 1 30 30 ILE N N 30 120.101 120.101 123.826 -3.725 19535 663 1 3 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.257 0.001 19535 664 1 3 . 1 1 30 30 ILE C C 30 174.928 174.928 176.095 -1.167 19535 665 1 3 . 1 1 30 30 ILE CA C 30 61.164 61.164 61.054 0.110 19535 666 1 3 . 1 1 30 30 ILE CB C 30 39.008 39.008 37.383 1.625 19535 667 1 3 . 1 1 30 30 ILE H H 30 8.059 8.059 8.441 -0.382 19535 668 1 3 . 1 1 31 31 ALA N N 31 127.003 127.003 130.865 -3.862 19535 669 1 3 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.467 -0.035 19535 670 1 3 . 1 1 31 31 ALA C C 31 176.355 176.355 177.252 -0.897 19535 671 1 3 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.517 0.379 19535 672 1 3 . 1 1 31 31 ALA CB C 31 19.465 19.465 20.097 -0.632 19535 673 1 3 . 1 1 31 31 ALA H H 31 8.303 8.303 8.856 -0.553 19535 674 1 3 . 1 1 32 32 ARG N N 32 118.980 118.980 119.063 -0.083 19535 675 1 3 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.745 -0.266 19535 676 1 3 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.932 -0.339 19535 677 1 3 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.520 -0.169 19535 678 1 3 . 1 1 32 32 ARG H H 32 7.910 7.910 8.219 -0.309 19535 679 1 3 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.831 -0.442 19535 680 1 3 . 1 1 33 33 PRO C C 33 175.947 175.947 176.923 -0.976 19535 681 1 3 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.098 0.461 19535 682 1 3 . 1 1 33 33 PRO CB C 33 31.935 31.935 32.045 -0.110 19535 683 1 3 . 1 1 34 34 TRP N N 34 116.547 116.547 119.430 -2.883 19535 684 1 3 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.531 0.239 19535 685 1 3 . 1 1 34 34 TRP C C 34 175.488 175.488 177.427 -1.939 19535 686 1 3 . 1 1 34 34 TRP CA C 34 57.887 57.887 59.110 -1.223 19535 687 1 3 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.183 -0.595 19535 688 1 3 . 1 1 34 34 TRP H H 34 7.479 7.479 8.322 -0.843 19535 689 1 3 . 1 1 35 35 GLU N N 35 120.618 120.618 116.682 3.936 19535 690 1 3 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.447 -0.065 19535 691 1 3 . 1 1 35 35 GLU C C 35 174.902 174.902 176.814 -1.912 19535 692 1 3 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.149 -0.582 19535 693 1 3 . 1 1 35 35 GLU CB C 35 29.320 29.320 30.839 -1.519 19535 694 1 3 . 1 1 35 35 GLU H H 35 7.817 7.817 7.786 0.031 19535 695 1 3 . 1 1 36 36 MET N N 36 119.553 119.553 119.362 0.191 19535 696 1 3 . 1 1 36 36 MET HA H 36 4.535 4.535 4.587 -0.052 19535 697 1 3 . 1 1 36 36 MET C C 36 175.182 175.182 174.512 0.670 19535 698 1 3 . 1 1 36 36 MET CA C 36 56.026 56.026 55.561 0.465 19535 699 1 3 . 1 1 36 36 MET CB C 36 33.032 33.032 35.381 -2.349 19535 700 1 3 . 1 1 36 36 MET H H 36 8.132 8.132 7.421 0.711 19535 701 1 3 . 1 1 37 37 MET N N 37 120.609 120.609 125.048 -4.439 19535 702 1 3 . 1 1 37 37 MET HA H 37 4.629 4.629 4.570 0.059 19535 703 1 3 . 1 1 37 37 MET C C 37 175.081 175.081 176.076 -0.995 19535 704 1 3 . 1 1 37 37 MET CA C 37 56.043 56.043 55.980 0.062 19535 705 1 3 . 1 1 37 37 MET CB C 37 33.041 33.041 32.506 0.535 19535 706 1 3 . 1 1 37 37 MET H H 37 8.289 8.289 8.667 -0.378 19535 707 1 3 . 1 1 38 38 VAL N N 38 119.594 119.594 120.674 -1.080 19535 708 1 3 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.435 -0.097 19535 709 1 3 . 1 1 38 38 VAL C C 38 175.335 175.335 175.700 -0.365 19535 710 1 3 . 1 1 38 38 VAL CA C 38 62.647 62.647 61.115 1.532 19535 711 1 3 . 1 1 38 38 VAL CB C 38 32.887 32.887 31.740 1.147 19535 712 1 3 . 1 1 38 38 VAL H H 38 8.054 8.054 8.280 -0.226 19535 713 1 3 . 1 1 39 39 GLY N N 39 111.351 111.351 108.277 3.074 19535 714 1 3 . 1 1 39 39 GLY C C 39 172.429 172.429 173.909 -1.480 19535 715 1 3 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.567 0.906 19535 716 1 3 . 1 1 39 39 GLY H H 39 8.329 8.329 7.850 0.479 19535 717 1 3 . 1 1 40 40 ASN N N 40 118.075 118.075 116.074 2.001 19535 718 1 3 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.895 0.050 19535 719 1 3 . 1 1 40 40 ASN C C 40 173.984 173.984 173.784 0.200 19535 720 1 3 . 1 1 40 40 ASN CA C 40 53.754 53.754 51.392 2.362 19535 721 1 3 . 1 1 40 40 ASN CB C 40 39.972 39.972 39.918 0.054 19535 722 1 3 . 1 1 40 40 ASN H H 40 8.359 8.359 7.459 0.900 19535 723 1 3 . 1 1 41 41 CYS N N 41 120.609 120.609 118.959 1.650 19535 724 1 3 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.903 0.635 19535 725 1 3 . 1 1 41 41 CYS C C 41 172.689 172.689 173.960 -1.271 19535 726 1 3 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.377 -2.060 19535 727 1 3 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.264 20.145 19535 728 1 3 . 1 1 41 41 CYS H H 41 8.653 8.653 8.705 -0.052 19535 729 1 3 . 1 1 42 42 MET N N 42 120.998 120.998 120.983 0.015 19535 730 1 3 . 1 1 42 42 MET HA H 42 5.164 5.164 4.729 0.435 19535 731 1 3 . 1 1 42 42 MET C C 42 175.208 175.208 174.875 0.333 19535 732 1 3 . 1 1 42 42 MET CA C 42 54.853 54.853 54.480 0.373 19535 733 1 3 . 1 1 42 42 MET CB C 42 37.960 37.960 37.675 0.285 19535 734 1 3 . 1 1 42 42 MET H H 42 8.967 8.967 8.458 0.509 19535 735 1 3 . 1 1 43 43 CYS N N 43 122.297 122.297 118.503 3.794 19535 736 1 3 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.368 1.137 19535 737 1 3 . 1 1 43 43 CYS C C 43 175.820 175.820 175.193 0.627 19535 738 1 3 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.319 -6.825 19535 739 1 3 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.808 8.899 19535 740 1 3 . 1 1 43 43 CYS H H 43 9.478 9.478 8.276 1.202 19535 741 1 3 . 1 1 44 44 GLY N N 44 114.932 114.932 109.004 5.928 19535 742 1 3 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.790 1.835 19535 743 1 3 . 1 1 44 44 GLY H H 44 9.712 9.712 7.745 1.967 19535 744 1 3 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.554 0.062 19535 745 1 3 . 1 1 45 45 PRO C C 45 175.386 175.386 176.012 -0.626 19535 746 1 3 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.736 0.204 19535 747 1 3 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.976 -0.751 19535 748 1 3 . 1 1 46 46 LYS N N 46 121.021 121.021 122.468 -1.447 19535 749 1 3 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.395 -0.117 19535 750 1 3 . 1 1 46 46 LYS C C 46 174.902 174.902 176.585 -1.683 19535 751 1 3 . 1 1 46 46 LYS CA C 46 56.807 56.807 55.881 0.926 19535 752 1 3 . 1 1 46 46 LYS CB C 46 33.533 33.533 33.189 0.344 19535 753 1 3 . 1 1 46 46 LYS H H 46 8.421 8.421 8.289 0.132 19535 754 1 4 . 1 1 2 2 LYS N N 2 122.024 122.024 125.126 -3.102 19535 755 1 4 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.424 0.105 19535 756 1 4 . 1 1 2 2 LYS C C 2 175.284 175.284 176.729 -1.445 19535 757 1 4 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.272 0.486 19535 758 1 4 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.243 0.111 19535 759 1 4 . 1 1 2 2 LYS H H 2 8.776 8.776 8.584 0.192 19535 760 1 4 . 1 1 3 3 GLU N N 3 122.436 122.436 124.264 -1.828 19535 761 1 4 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.371 0.233 19535 762 1 4 . 1 1 3 3 GLU C C 3 174.367 174.367 175.858 -1.491 19535 763 1 4 . 1 1 3 3 GLU CA C 3 55.921 55.921 56.172 -0.251 19535 764 1 4 . 1 1 3 3 GLU CB C 3 29.309 29.309 27.930 1.379 19535 765 1 4 . 1 1 3 3 GLU H H 3 8.583 8.583 8.641 -0.058 19535 766 1 4 . 1 1 4 4 CYS N N 4 117.664 117.664 118.315 -0.651 19535 767 1 4 . 1 1 4 4 CYS HA H 4 4.986 4.986 5.026 -0.040 19535 768 1 4 . 1 1 4 4 CYS C C 4 172.658 172.658 173.826 -1.168 19535 769 1 4 . 1 1 4 4 CYS CA C 4 54.150 54.150 55.941 -1.791 19535 770 1 4 . 1 1 4 4 CYS CB C 4 42.390 42.390 30.497 11.893 19535 771 1 4 . 1 1 4 4 CYS H H 4 8.165 8.165 8.069 0.096 19535 772 1 4 . 1 1 5 5 MET N N 5 118.071 118.071 119.335 -1.264 19535 773 1 4 . 1 1 5 5 MET HA H 5 4.863 4.863 4.926 -0.063 19535 774 1 4 . 1 1 5 5 MET C C 5 175.055 175.055 175.898 -0.843 19535 775 1 4 . 1 1 5 5 MET CA C 5 55.789 55.789 54.477 1.312 19535 776 1 4 . 1 1 5 5 MET CB C 5 34.599 34.599 35.396 -0.797 19535 777 1 4 . 1 1 5 5 MET H H 5 9.075 9.075 8.759 0.316 19535 778 1 4 . 1 1 6 6 THR N N 6 116.953 116.953 112.786 4.167 19535 779 1 4 . 1 1 6 6 THR HA H 6 4.224 4.224 4.580 -0.356 19535 780 1 4 . 1 1 6 6 THR C C 6 174.188 174.188 174.120 0.068 19535 781 1 4 . 1 1 6 6 THR CA C 6 61.777 61.777 60.374 1.403 19535 782 1 4 . 1 1 6 6 THR CB C 6 70.305 70.305 70.045 0.260 19535 783 1 4 . 1 1 6 6 THR H H 6 8.492 8.492 8.396 0.096 19535 784 1 4 . 1 1 7 7 ASP N N 7 123.270 123.270 117.606 5.664 19535 785 1 4 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.217 -0.121 19535 786 1 4 . 1 1 7 7 ASP C C 7 175.284 175.284 177.050 -1.766 19535 787 1 4 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.185 1.639 19535 788 1 4 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.509 -1.298 19535 789 1 4 . 1 1 7 7 ASP H H 7 8.643 8.643 8.301 0.342 19535 790 1 4 . 1 1 8 8 GLY N N 8 111.423 111.423 110.254 1.169 19535 791 1 4 . 1 1 8 8 GLY C C 8 173.117 173.117 174.706 -1.589 19535 792 1 4 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.069 0.031 19535 793 1 4 . 1 1 8 8 GLY H H 8 9.329 9.329 8.369 0.960 19535 794 1 4 . 1 1 9 9 THR N N 9 116.646 116.646 120.030 -3.384 19535 795 1 4 . 1 1 9 9 THR HA H 9 4.320 4.320 4.522 -0.202 19535 796 1 4 . 1 1 9 9 THR C C 9 172.913 172.913 174.262 -1.349 19535 797 1 4 . 1 1 9 9 THR CA C 9 63.312 63.312 62.344 0.967 19535 798 1 4 . 1 1 9 9 THR CB C 9 70.010 70.010 69.573 0.437 19535 799 1 4 . 1 1 9 9 THR H H 9 7.695 7.695 7.460 0.235 19535 800 1 4 . 1 1 10 10 VAL N N 10 127.413 127.413 127.663 -0.250 19535 801 1 4 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.739 0.485 19535 802 1 4 . 1 1 10 10 VAL C C 10 173.194 173.194 176.088 -2.894 19535 803 1 4 . 1 1 10 10 VAL CA C 10 64.459 64.459 63.970 0.489 19535 804 1 4 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.666 0.360 19535 805 1 4 . 1 1 10 10 VAL H H 10 8.605 8.605 8.616 -0.011 19535 806 1 4 . 1 1 11 11 CYS N N 11 120.712 120.712 123.403 -2.691 19535 807 1 4 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.954 0.030 19535 808 1 4 . 1 1 11 11 CYS C C 11 169.701 169.701 173.061 -3.360 19535 809 1 4 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.541 -2.752 19535 810 1 4 . 1 1 11 11 CYS CB C 11 49.168 49.168 31.280 17.888 19535 811 1 4 . 1 1 11 11 CYS H H 11 7.743 7.743 8.069 -0.326 19535 812 1 4 . 1 1 12 12 TYR N N 12 117.867 117.867 119.827 -1.960 19535 813 1 4 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.815 0.152 19535 814 1 4 . 1 1 12 12 TYR C C 12 175.577 175.577 176.578 -1.001 19535 815 1 4 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.035 -0.297 19535 816 1 4 . 1 1 12 12 TYR CB C 12 40.474 40.474 41.724 -1.250 19535 817 1 4 . 1 1 12 12 TYR H H 12 8.324 8.324 8.366 -0.042 19535 818 1 4 . 1 1 13 13 ILE N N 13 122.840 122.840 124.164 -1.324 19535 819 1 4 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.933 0.142 19535 820 1 4 . 1 1 13 13 ILE C C 13 175.629 175.629 176.579 -0.950 19535 821 1 4 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.933 -0.091 19535 822 1 4 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.644 0.528 19535 823 1 4 . 1 1 13 13 ILE H H 13 8.502 8.502 8.759 -0.257 19535 824 1 4 . 1 1 14 14 HIS N N 14 117.156 117.156 118.226 -1.070 19535 825 1 4 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.776 0.122 19535 826 1 4 . 1 1 14 14 HIS C C 14 173.219 173.219 174.551 -1.332 19535 827 1 4 . 1 1 14 14 HIS CA C 14 55.863 55.863 56.030 -0.167 19535 828 1 4 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.460 -1.112 19535 829 1 4 . 1 1 14 14 HIS H H 14 8.437 8.437 8.157 0.280 19535 830 1 4 . 1 1 15 15 ASN N N 15 117.243 117.243 118.711 -1.468 19535 831 1 4 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.748 0.189 19535 832 1 4 . 1 1 15 15 ASN C C 15 174.010 174.010 174.312 -0.302 19535 833 1 4 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.211 -0.088 19535 834 1 4 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.606 0.140 19535 835 1 4 . 1 1 15 15 ASN H H 15 7.934 7.934 7.786 0.148 19535 836 1 4 . 1 1 16 16 HIS N N 16 118.072 118.072 117.507 0.565 19535 837 1 4 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.174 0.461 19535 838 1 4 . 1 1 16 16 HIS C C 16 173.449 173.449 173.652 -0.203 19535 839 1 4 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.317 -0.677 19535 840 1 4 . 1 1 16 16 HIS CB C 16 28.451 28.451 28.637 -0.186 19535 841 1 4 . 1 1 16 16 HIS H H 16 8.402 8.402 8.491 -0.088 19535 842 1 4 . 1 1 17 17 ASN N N 17 120.144 120.144 117.797 2.347 19535 843 1 4 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.717 0.198 19535 844 1 4 . 1 1 17 17 ASN C C 17 173.857 173.857 174.663 -0.806 19535 845 1 4 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.458 0.059 19535 846 1 4 . 1 1 17 17 ASN CB C 17 39.155 39.155 38.876 0.279 19535 847 1 4 . 1 1 17 17 ASN H H 17 8.567 8.567 7.892 0.675 19535 848 1 4 . 1 1 18 18 ASP N N 18 121.570 121.570 125.896 -4.326 19535 849 1 4 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.793 0.289 19535 850 1 4 . 1 1 18 18 ASP C C 18 175.565 175.565 174.432 1.133 19535 851 1 4 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.008 0.329 19535 852 1 4 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.661 -1.626 19535 853 1 4 . 1 1 18 18 ASP H H 18 8.623 8.623 8.532 0.091 19535 854 1 4 . 1 1 19 19 CYS N N 19 119.788 119.788 121.152 -1.364 19535 855 1 4 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.683 0.189 19535 856 1 4 . 1 1 19 19 CYS C C 19 174.188 174.188 175.521 -1.333 19535 857 1 4 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.459 -3.333 19535 858 1 4 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.211 6.958 19535 859 1 4 . 1 1 19 19 CYS H H 19 8.370 8.370 8.640 -0.270 19535 860 1 4 . 1 1 20 20 CYS N N 20 123.247 123.247 124.070 -0.823 19535 861 1 4 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.283 0.325 19535 862 1 4 . 1 1 20 20 CYS C C 20 175.514 175.514 175.649 -0.135 19535 863 1 4 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.698 -3.354 19535 864 1 4 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.342 11.869 19535 865 1 4 . 1 1 20 20 CYS H H 20 9.556 9.556 8.834 0.722 19535 866 1 4 . 1 1 21 21 GLY N N 21 109.083 109.083 106.149 2.934 19535 867 1 4 . 1 1 21 21 GLY C C 21 171.945 171.945 173.078 -1.133 19535 868 1 4 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.619 1.498 19535 869 1 4 . 1 1 21 21 GLY H H 21 8.968 8.968 7.907 1.061 19535 870 1 4 . 1 1 22 22 SER N N 22 121.727 121.727 114.801 6.926 19535 871 1 4 . 1 1 22 22 SER HA H 22 4.798 4.798 4.657 0.141 19535 872 1 4 . 1 1 22 22 SER C C 22 170.670 170.670 174.517 -3.847 19535 873 1 4 . 1 1 22 22 SER CA C 22 57.668 57.668 58.006 -0.338 19535 874 1 4 . 1 1 22 22 SER CB C 22 66.662 66.662 64.661 2.001 19535 875 1 4 . 1 1 22 22 SER H H 22 9.116 9.116 8.146 0.970 19535 876 1 4 . 1 1 23 23 CYS N N 23 123.558 123.558 124.002 -0.444 19535 877 1 4 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.681 0.265 19535 878 1 4 . 1 1 23 23 CYS C C 23 171.894 171.894 175.442 -3.548 19535 879 1 4 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.556 -3.691 19535 880 1 4 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.601 12.613 19535 881 1 4 . 1 1 23 23 CYS H H 23 8.848 8.848 8.883 -0.035 19535 882 1 4 . 1 1 24 24 LEU N N 24 131.578 131.578 127.538 4.040 19535 883 1 4 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.651 0.095 19535 884 1 4 . 1 1 24 24 LEU C C 24 175.871 175.871 175.974 -0.103 19535 885 1 4 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.807 0.794 19535 886 1 4 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.059 -0.837 19535 887 1 4 . 1 1 24 24 LEU H H 24 8.582 8.582 8.626 -0.044 19535 888 1 4 . 1 1 25 25 CYS N N 25 122.657 122.657 124.088 -1.431 19535 889 1 4 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.647 0.685 19535 890 1 4 . 1 1 25 25 CYS C C 25 173.806 173.806 175.556 -1.750 19535 891 1 4 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.158 -3.591 19535 892 1 4 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.616 18.679 19535 893 1 4 . 1 1 25 25 CYS H H 25 8.832 8.832 9.042 -0.210 19535 894 1 4 . 1 1 26 26 SER N N 26 117.664 117.664 120.289 -2.625 19535 895 1 4 . 1 1 26 26 SER HA H 26 4.648 4.648 4.490 0.158 19535 896 1 4 . 1 1 26 26 SER C C 26 173.194 173.194 174.975 -1.781 19535 897 1 4 . 1 1 26 26 SER CA C 26 58.458 58.458 58.393 0.065 19535 898 1 4 . 1 1 26 26 SER CB C 26 64.218 64.218 63.837 0.381 19535 899 1 4 . 1 1 26 26 SER H H 26 8.550 8.550 8.518 0.032 19535 900 1 4 . 1 1 27 27 ASN N N 27 120.609 120.609 124.696 -4.087 19535 901 1 4 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.864 0.090 19535 902 1 4 . 1 1 27 27 ASN C C 27 174.341 174.341 176.008 -1.667 19535 903 1 4 . 1 1 27 27 ASN CA C 27 53.498 53.498 51.748 1.750 19535 904 1 4 . 1 1 27 27 ASN CB C 27 39.401 39.401 38.388 1.013 19535 905 1 4 . 1 1 27 27 ASN H H 27 8.663 8.663 8.611 0.052 19535 906 1 4 . 1 1 28 28 GLY N N 28 109.128 109.128 109.890 -0.762 19535 907 1 4 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.154 1.139 19535 908 1 4 . 1 1 28 28 GLY H H 28 8.232 8.232 8.070 0.162 19535 909 1 4 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.389 0.184 19535 910 1 4 . 1 1 29 29 PRO C C 29 176.100 176.100 176.020 0.080 19535 911 1 4 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.304 0.142 19535 912 1 4 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.098 0.043 19535 913 1 4 . 1 1 30 30 ILE N N 30 120.101 120.101 122.753 -2.652 19535 914 1 4 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.345 -0.087 19535 915 1 4 . 1 1 30 30 ILE C C 30 174.928 174.928 175.663 -0.735 19535 916 1 4 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.892 0.272 19535 917 1 4 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.366 0.642 19535 918 1 4 . 1 1 30 30 ILE H H 30 8.059 8.059 8.373 -0.314 19535 919 1 4 . 1 1 31 31 ALA N N 31 127.003 127.003 130.527 -3.524 19535 920 1 4 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.475 -0.043 19535 921 1 4 . 1 1 31 31 ALA C C 31 176.355 176.355 177.233 -0.878 19535 922 1 4 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.601 0.295 19535 923 1 4 . 1 1 31 31 ALA CB C 31 19.465 19.465 20.021 -0.556 19535 924 1 4 . 1 1 31 31 ALA H H 31 8.303 8.303 8.756 -0.453 19535 925 1 4 . 1 1 32 32 ARG N N 32 118.980 118.980 119.830 -0.850 19535 926 1 4 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.801 -0.322 19535 927 1 4 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.547 0.046 19535 928 1 4 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.695 -0.344 19535 929 1 4 . 1 1 32 32 ARG H H 32 7.910 7.910 8.178 -0.268 19535 930 1 4 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.781 -0.392 19535 931 1 4 . 1 1 33 33 PRO C C 33 175.947 175.947 177.130 -1.183 19535 932 1 4 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.073 0.486 19535 933 1 4 . 1 1 33 33 PRO CB C 33 31.935 31.935 32.161 -0.226 19535 934 1 4 . 1 1 34 34 TRP N N 34 116.547 116.547 118.602 -2.055 19535 935 1 4 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.637 0.133 19535 936 1 4 . 1 1 34 34 TRP C C 34 175.488 175.488 177.403 -1.915 19535 937 1 4 . 1 1 34 34 TRP CA C 34 57.887 57.887 59.070 -1.183 19535 938 1 4 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.267 -0.679 19535 939 1 4 . 1 1 34 34 TRP H H 34 7.479 7.479 8.077 -0.598 19535 940 1 4 . 1 1 35 35 GLU N N 35 120.618 120.618 117.024 3.594 19535 941 1 4 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.351 0.031 19535 942 1 4 . 1 1 35 35 GLU C C 35 174.902 174.902 176.779 -1.877 19535 943 1 4 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.598 -1.031 19535 944 1 4 . 1 1 35 35 GLU CB C 35 29.320 29.320 30.774 -1.454 19535 945 1 4 . 1 1 35 35 GLU H H 35 7.817 7.817 8.048 -0.231 19535 946 1 4 . 1 1 36 36 MET N N 36 119.553 119.553 114.074 5.479 19535 947 1 4 . 1 1 36 36 MET HA H 36 4.535 4.535 4.715 -0.180 19535 948 1 4 . 1 1 36 36 MET C C 36 175.182 175.182 174.444 0.738 19535 949 1 4 . 1 1 36 36 MET CA C 36 56.026 56.026 55.065 0.961 19535 950 1 4 . 1 1 36 36 MET CB C 36 33.032 33.032 34.802 -1.770 19535 951 1 4 . 1 1 36 36 MET H H 36 8.132 8.132 7.396 0.736 19535 952 1 4 . 1 1 37 37 MET N N 37 120.609 120.609 126.723 -6.114 19535 953 1 4 . 1 1 37 37 MET HA H 37 4.629 4.629 4.417 0.212 19535 954 1 4 . 1 1 37 37 MET C C 37 175.081 175.081 175.551 -0.470 19535 955 1 4 . 1 1 37 37 MET CA C 37 56.043 56.043 55.917 0.126 19535 956 1 4 . 1 1 37 37 MET CB C 37 33.041 33.041 31.690 1.351 19535 957 1 4 . 1 1 37 37 MET H H 37 8.289 8.289 8.577 -0.288 19535 958 1 4 . 1 1 38 38 VAL N N 38 119.594 119.594 120.980 -1.386 19535 959 1 4 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.375 -0.037 19535 960 1 4 . 1 1 38 38 VAL C C 38 175.335 175.335 174.619 0.716 19535 961 1 4 . 1 1 38 38 VAL CA C 38 62.647 62.647 61.445 1.202 19535 962 1 4 . 1 1 38 38 VAL CB C 38 32.887 32.887 30.990 1.897 19535 963 1 4 . 1 1 38 38 VAL H H 38 8.054 8.054 7.767 0.287 19535 964 1 4 . 1 1 39 39 GLY N N 39 111.351 111.351 107.596 3.755 19535 965 1 4 . 1 1 39 39 GLY C C 39 172.429 172.429 174.359 -1.930 19535 966 1 4 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.590 0.883 19535 967 1 4 . 1 1 39 39 GLY H H 39 8.329 8.329 8.153 0.176 19535 968 1 4 . 1 1 40 40 ASN N N 40 118.075 118.075 119.113 -1.038 19535 969 1 4 . 1 1 40 40 ASN HA H 40 4.945 4.945 5.001 -0.056 19535 970 1 4 . 1 1 40 40 ASN C C 40 173.984 173.984 174.079 -0.095 19535 971 1 4 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.270 1.484 19535 972 1 4 . 1 1 40 40 ASN CB C 40 39.972 39.972 41.149 -1.177 19535 973 1 4 . 1 1 40 40 ASN H H 40 8.359 8.359 7.854 0.505 19535 974 1 4 . 1 1 41 41 CYS N N 41 120.609 120.609 118.674 1.935 19535 975 1 4 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.906 0.632 19535 976 1 4 . 1 1 41 41 CYS C C 41 172.689 172.689 174.058 -1.369 19535 977 1 4 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.220 -1.903 19535 978 1 4 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.329 20.080 19535 979 1 4 . 1 1 41 41 CYS H H 41 8.653 8.653 8.708 -0.055 19535 980 1 4 . 1 1 42 42 MET N N 42 120.998 120.998 121.098 -0.100 19535 981 1 4 . 1 1 42 42 MET HA H 42 5.164 5.164 4.771 0.393 19535 982 1 4 . 1 1 42 42 MET C C 42 175.208 175.208 174.864 0.344 19535 983 1 4 . 1 1 42 42 MET CA C 42 54.853 54.853 54.477 0.376 19535 984 1 4 . 1 1 42 42 MET CB C 42 37.960 37.960 37.680 0.280 19535 985 1 4 . 1 1 42 42 MET H H 42 8.967 8.967 8.446 0.521 19535 986 1 4 . 1 1 43 43 CYS N N 43 122.297 122.297 118.373 3.924 19535 987 1 4 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.363 1.142 19535 988 1 4 . 1 1 43 43 CYS C C 43 175.820 175.820 175.085 0.735 19535 989 1 4 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.313 -6.819 19535 990 1 4 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.845 8.862 19535 991 1 4 . 1 1 43 43 CYS H H 43 9.478 9.478 8.270 1.208 19535 992 1 4 . 1 1 44 44 GLY N N 44 114.932 114.932 108.984 5.948 19535 993 1 4 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.881 1.744 19535 994 1 4 . 1 1 44 44 GLY H H 44 9.712 9.712 7.861 1.851 19535 995 1 4 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.455 0.161 19535 996 1 4 . 1 1 45 45 PRO C C 45 175.386 175.386 176.614 -1.228 19535 997 1 4 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.483 0.457 19535 998 1 4 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.736 -0.511 19535 999 1 4 . 1 1 46 46 LYS N N 46 121.021 121.021 124.090 -3.069 19535 1000 1 4 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.176 0.102 19535 1001 1 4 . 1 1 46 46 LYS C C 46 174.902 174.902 177.026 -2.124 19535 1002 1 4 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.143 0.664 19535 1003 1 4 . 1 1 46 46 LYS CB C 46 33.533 33.533 31.329 2.204 19535 1004 1 4 . 1 1 46 46 LYS H H 46 8.421 8.421 8.434 -0.013 19535 1005 1 5 . 1 1 2 2 LYS N N 2 122.024 122.024 120.995 1.029 19535 1006 1 5 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.512 0.017 19535 1007 1 5 . 1 1 2 2 LYS C C 2 175.284 175.284 174.992 0.292 19535 1008 1 5 . 1 1 2 2 LYS CA C 2 56.758 56.758 55.686 1.072 19535 1009 1 5 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.212 0.142 19535 1010 1 5 . 1 1 2 2 LYS H H 2 8.776 8.776 8.212 0.564 19535 1011 1 5 . 1 1 3 3 GLU N N 3 122.436 122.436 122.682 -0.246 19535 1012 1 5 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.444 0.160 19535 1013 1 5 . 1 1 3 3 GLU C C 3 174.367 174.367 176.410 -2.043 19535 1014 1 5 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.877 0.044 19535 1015 1 5 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.916 0.393 19535 1016 1 5 . 1 1 3 3 GLU H H 3 8.583 8.583 8.585 -0.002 19535 1017 1 5 . 1 1 4 4 CYS N N 4 117.664 117.664 122.270 -4.606 19535 1018 1 5 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.875 0.111 19535 1019 1 5 . 1 1 4 4 CYS C C 4 172.658 172.658 174.813 -2.155 19535 1020 1 5 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.776 -2.626 19535 1021 1 5 . 1 1 4 4 CYS CB C 4 42.390 42.390 29.055 13.335 19535 1022 1 5 . 1 1 4 4 CYS H H 4 8.165 8.165 8.184 -0.019 19535 1023 1 5 . 1 1 5 5 MET N N 5 118.071 118.071 119.909 -1.838 19535 1024 1 5 . 1 1 5 5 MET HA H 5 4.863 4.863 4.880 -0.017 19535 1025 1 5 . 1 1 5 5 MET C C 5 175.055 175.055 176.046 -0.991 19535 1026 1 5 . 1 1 5 5 MET CA C 5 55.789 55.789 54.271 1.518 19535 1027 1 5 . 1 1 5 5 MET CB C 5 34.599 34.599 34.908 -0.310 19535 1028 1 5 . 1 1 5 5 MET H H 5 9.075 9.075 8.704 0.371 19535 1029 1 5 . 1 1 6 6 THR N N 6 116.953 116.953 113.279 3.674 19535 1030 1 5 . 1 1 6 6 THR HA H 6 4.224 4.224 4.564 -0.340 19535 1031 1 5 . 1 1 6 6 THR C C 6 174.188 174.188 174.128 0.060 19535 1032 1 5 . 1 1 6 6 THR CA C 6 61.777 61.777 60.627 1.150 19535 1033 1 5 . 1 1 6 6 THR CB C 6 70.305 70.305 70.041 0.264 19535 1034 1 5 . 1 1 6 6 THR H H 6 8.492 8.492 8.480 0.012 19535 1035 1 5 . 1 1 7 7 ASP N N 7 123.270 123.270 118.425 4.845 19535 1036 1 5 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.290 -0.194 19535 1037 1 5 . 1 1 7 7 ASP C C 7 175.284 175.284 177.329 -2.045 19535 1038 1 5 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.900 0.924 19535 1039 1 5 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.690 -1.479 19535 1040 1 5 . 1 1 7 7 ASP H H 7 8.643 8.643 8.390 0.253 19535 1041 1 5 . 1 1 8 8 GLY N N 8 111.423 111.423 110.318 1.105 19535 1042 1 5 . 1 1 8 8 GLY C C 8 173.117 173.117 174.495 -1.378 19535 1043 1 5 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.133 -0.034 19535 1044 1 5 . 1 1 8 8 GLY H H 8 9.329 9.329 8.333 0.996 19535 1045 1 5 . 1 1 9 9 THR N N 9 116.646 116.646 119.797 -3.151 19535 1046 1 5 . 1 1 9 9 THR HA H 9 4.320 4.320 4.513 -0.193 19535 1047 1 5 . 1 1 9 9 THR C C 9 172.913 172.913 174.453 -1.540 19535 1048 1 5 . 1 1 9 9 THR CA C 9 63.312 63.312 62.341 0.971 19535 1049 1 5 . 1 1 9 9 THR CB C 9 70.010 70.010 69.602 0.408 19535 1050 1 5 . 1 1 9 9 THR H H 9 7.695 7.695 7.477 0.218 19535 1051 1 5 . 1 1 10 10 VAL N N 10 127.413 127.413 127.290 0.123 19535 1052 1 5 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.676 0.548 19535 1053 1 5 . 1 1 10 10 VAL C C 10 173.194 173.194 175.952 -2.758 19535 1054 1 5 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.618 -0.159 19535 1055 1 5 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.737 0.288 19535 1056 1 5 . 1 1 10 10 VAL H H 10 8.605 8.605 8.591 0.014 19535 1057 1 5 . 1 1 11 11 CYS N N 11 120.712 120.712 124.745 -4.033 19535 1058 1 5 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.886 0.098 19535 1059 1 5 . 1 1 11 11 CYS C C 11 169.701 169.701 173.448 -3.747 19535 1060 1 5 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.362 -2.574 19535 1061 1 5 . 1 1 11 11 CYS CB C 11 49.168 49.168 31.028 18.140 19535 1062 1 5 . 1 1 11 11 CYS H H 11 7.743 7.743 8.204 -0.461 19535 1063 1 5 . 1 1 12 12 TYR N N 12 117.867 117.867 120.485 -2.618 19535 1064 1 5 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.815 0.152 19535 1065 1 5 . 1 1 12 12 TYR C C 12 175.577 175.577 176.708 -1.131 19535 1066 1 5 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.345 -0.607 19535 1067 1 5 . 1 1 12 12 TYR CB C 12 40.474 40.474 41.976 -1.502 19535 1068 1 5 . 1 1 12 12 TYR H H 12 8.324 8.324 8.146 0.178 19535 1069 1 5 . 1 1 13 13 ILE N N 13 122.840 122.840 124.268 -1.428 19535 1070 1 5 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.905 0.170 19535 1071 1 5 . 1 1 13 13 ILE C C 13 175.629 175.629 176.582 -0.953 19535 1072 1 5 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.937 -0.095 19535 1073 1 5 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.604 0.568 19535 1074 1 5 . 1 1 13 13 ILE H H 13 8.502 8.502 8.795 -0.293 19535 1075 1 5 . 1 1 14 14 HIS N N 14 117.156 117.156 117.567 -0.411 19535 1076 1 5 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.729 0.169 19535 1077 1 5 . 1 1 14 14 HIS C C 14 173.219 173.219 174.775 -1.556 19535 1078 1 5 . 1 1 14 14 HIS CA C 14 55.863 55.863 56.029 -0.166 19535 1079 1 5 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.308 -0.960 19535 1080 1 5 . 1 1 14 14 HIS H H 14 8.437 8.437 8.089 0.348 19535 1081 1 5 . 1 1 15 15 ASN N N 15 117.243 117.243 118.130 -0.887 19535 1082 1 5 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.808 0.129 19535 1083 1 5 . 1 1 15 15 ASN C C 15 174.010 174.010 174.463 -0.453 19535 1084 1 5 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.127 -0.004 19535 1085 1 5 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.789 -0.043 19535 1086 1 5 . 1 1 15 15 ASN H H 15 7.934 7.934 7.683 0.251 19535 1087 1 5 . 1 1 16 16 HIS N N 16 118.072 118.072 115.751 2.321 19535 1088 1 5 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.153 0.482 19535 1089 1 5 . 1 1 16 16 HIS C C 16 173.449 173.449 173.915 -0.466 19535 1090 1 5 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.657 -1.016 19535 1091 1 5 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.350 1.101 19535 1092 1 5 . 1 1 16 16 HIS H H 16 8.402 8.402 8.334 0.068 19535 1093 1 5 . 1 1 17 17 ASN N N 17 120.144 120.144 117.930 2.214 19535 1094 1 5 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.776 0.139 19535 1095 1 5 . 1 1 17 17 ASN C C 17 173.857 173.857 174.575 -0.718 19535 1096 1 5 . 1 1 17 17 ASN CA C 17 53.517 53.517 54.112 -0.595 19535 1097 1 5 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.428 -0.273 19535 1098 1 5 . 1 1 17 17 ASN H H 17 8.567 8.567 7.866 0.701 19535 1099 1 5 . 1 1 18 18 ASP N N 18 121.570 121.570 124.992 -3.422 19535 1100 1 5 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.921 0.161 19535 1101 1 5 . 1 1 18 18 ASP C C 18 175.565 175.565 174.069 1.496 19535 1102 1 5 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.731 -0.394 19535 1103 1 5 . 1 1 18 18 ASP CB C 18 40.035 40.035 42.074 -2.039 19535 1104 1 5 . 1 1 18 18 ASP H H 18 8.623 8.623 8.682 -0.059 19535 1105 1 5 . 1 1 19 19 CYS N N 19 119.788 119.788 120.689 -0.901 19535 1106 1 5 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.719 0.153 19535 1107 1 5 . 1 1 19 19 CYS C C 19 174.188 174.188 175.617 -1.429 19535 1108 1 5 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.464 -3.338 19535 1109 1 5 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.021 7.148 19535 1110 1 5 . 1 1 19 19 CYS H H 19 8.370 8.370 8.736 -0.366 19535 1111 1 5 . 1 1 20 20 CYS N N 20 123.247 123.247 124.575 -1.328 19535 1112 1 5 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.294 0.314 19535 1113 1 5 . 1 1 20 20 CYS C C 20 175.514 175.514 175.020 0.494 19535 1114 1 5 . 1 1 20 20 CYS CA C 20 57.344 57.344 61.005 -3.661 19535 1115 1 5 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.465 11.746 19535 1116 1 5 . 1 1 20 20 CYS H H 20 9.556 9.556 8.904 0.652 19535 1117 1 5 . 1 1 21 21 GLY N N 21 109.083 109.083 105.426 3.657 19535 1118 1 5 . 1 1 21 21 GLY C C 21 171.945 171.945 172.907 -0.962 19535 1119 1 5 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.484 1.633 19535 1120 1 5 . 1 1 21 21 GLY H H 21 8.968 8.968 7.930 1.038 19535 1121 1 5 . 1 1 22 22 SER N N 22 121.727 121.727 114.675 7.052 19535 1122 1 5 . 1 1 22 22 SER HA H 22 4.798 4.798 4.638 0.160 19535 1123 1 5 . 1 1 22 22 SER C C 22 170.670 170.670 174.614 -3.944 19535 1124 1 5 . 1 1 22 22 SER CA C 22 57.668 57.668 57.687 -0.019 19535 1125 1 5 . 1 1 22 22 SER CB C 22 66.662 66.662 64.578 2.084 19535 1126 1 5 . 1 1 22 22 SER H H 22 9.116 9.116 8.068 1.048 19535 1127 1 5 . 1 1 23 23 CYS N N 23 123.558 123.558 124.550 -0.992 19535 1128 1 5 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.678 0.268 19535 1129 1 5 . 1 1 23 23 CYS C C 23 171.894 171.894 175.291 -3.397 19535 1130 1 5 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.580 -3.715 19535 1131 1 5 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.740 12.474 19535 1132 1 5 . 1 1 23 23 CYS H H 23 8.848 8.848 8.868 -0.020 19535 1133 1 5 . 1 1 24 24 LEU N N 24 131.578 131.578 127.409 4.169 19535 1134 1 5 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.652 0.094 19535 1135 1 5 . 1 1 24 24 LEU C C 24 175.871 175.871 175.961 -0.090 19535 1136 1 5 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.837 0.764 19535 1137 1 5 . 1 1 24 24 LEU CB C 24 43.222 43.222 43.939 -0.717 19535 1138 1 5 . 1 1 24 24 LEU H H 24 8.582 8.582 8.634 -0.052 19535 1139 1 5 . 1 1 25 25 CYS N N 25 122.657 122.657 124.740 -2.083 19535 1140 1 5 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.675 0.657 19535 1141 1 5 . 1 1 25 25 CYS C C 25 173.806 173.806 175.194 -1.388 19535 1142 1 5 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.440 -3.873 19535 1143 1 5 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.620 18.675 19535 1144 1 5 . 1 1 25 25 CYS H H 25 8.832 8.832 8.863 -0.031 19535 1145 1 5 . 1 1 26 26 SER N N 26 117.664 117.664 119.483 -1.819 19535 1146 1 5 . 1 1 26 26 SER HA H 26 4.648 4.648 4.621 0.027 19535 1147 1 5 . 1 1 26 26 SER C C 26 173.194 173.194 174.075 -0.881 19535 1148 1 5 . 1 1 26 26 SER CA C 26 58.458 58.458 57.719 0.739 19535 1149 1 5 . 1 1 26 26 SER CB C 26 64.218 64.218 64.431 -0.213 19535 1150 1 5 . 1 1 26 26 SER H H 26 8.550 8.550 8.575 -0.025 19535 1151 1 5 . 1 1 27 27 ASN N N 27 120.609 120.609 125.278 -4.669 19535 1152 1 5 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.918 0.036 19535 1153 1 5 . 1 1 27 27 ASN C C 27 174.341 174.341 175.585 -1.244 19535 1154 1 5 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.325 1.173 19535 1155 1 5 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.966 -0.565 19535 1156 1 5 . 1 1 27 27 ASN H H 27 8.663 8.663 8.631 0.032 19535 1157 1 5 . 1 1 28 28 GLY N N 28 109.128 109.128 110.207 -1.079 19535 1158 1 5 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.296 0.997 19535 1159 1 5 . 1 1 28 28 GLY H H 28 8.232 8.232 7.615 0.617 19535 1160 1 5 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.352 0.221 19535 1161 1 5 . 1 1 29 29 PRO C C 29 176.100 176.100 176.257 -0.157 19535 1162 1 5 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.028 0.418 19535 1163 1 5 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.195 -0.054 19535 1164 1 5 . 1 1 30 30 ILE N N 30 120.101 120.101 123.360 -3.259 19535 1165 1 5 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.237 0.021 19535 1166 1 5 . 1 1 30 30 ILE C C 30 174.928 174.928 176.342 -1.414 19535 1167 1 5 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.776 0.388 19535 1168 1 5 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.070 0.938 19535 1169 1 5 . 1 1 30 30 ILE H H 30 8.059 8.059 8.239 -0.180 19535 1170 1 5 . 1 1 31 31 ALA N N 31 127.003 127.003 132.014 -5.011 19535 1171 1 5 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.275 0.157 19535 1172 1 5 . 1 1 31 31 ALA C C 31 176.355 176.355 177.666 -1.311 19535 1173 1 5 . 1 1 31 31 ALA CA C 31 52.896 52.896 53.709 -0.813 19535 1174 1 5 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.515 -0.050 19535 1175 1 5 . 1 1 31 31 ALA H H 31 8.303 8.303 8.784 -0.481 19535 1176 1 5 . 1 1 32 32 ARG N N 32 118.980 118.980 117.488 1.492 19535 1177 1 5 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.821 -0.342 19535 1178 1 5 . 1 1 32 32 ARG CA C 32 53.593 53.593 52.615 0.978 19535 1179 1 5 . 1 1 32 32 ARG CB C 32 30.351 30.351 29.577 0.774 19535 1180 1 5 . 1 1 32 32 ARG H H 32 7.910 7.910 8.315 -0.405 19535 1181 1 5 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.882 -0.493 19535 1182 1 5 . 1 1 33 33 PRO C C 33 175.947 175.947 177.107 -1.160 19535 1183 1 5 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.213 0.346 19535 1184 1 5 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.862 0.073 19535 1185 1 5 . 1 1 34 34 TRP N N 34 116.547 116.547 119.204 -2.657 19535 1186 1 5 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.631 0.139 19535 1187 1 5 . 1 1 34 34 TRP C C 34 175.488 175.488 177.695 -2.207 19535 1188 1 5 . 1 1 34 34 TRP CA C 34 57.887 57.887 59.053 -1.166 19535 1189 1 5 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.543 -0.955 19535 1190 1 5 . 1 1 34 34 TRP H H 34 7.479 7.479 8.666 -1.187 19535 1191 1 5 . 1 1 35 35 GLU N N 35 120.618 120.618 117.020 3.598 19535 1192 1 5 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.537 -0.155 19535 1193 1 5 . 1 1 35 35 GLU C C 35 174.902 174.902 176.870 -1.968 19535 1194 1 5 . 1 1 35 35 GLU CA C 35 56.567 56.567 56.980 -0.413 19535 1195 1 5 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.834 -2.514 19535 1196 1 5 . 1 1 35 35 GLU H H 35 7.817 7.817 7.803 0.014 19535 1197 1 5 . 1 1 36 36 MET N N 36 119.553 119.553 120.824 -1.271 19535 1198 1 5 . 1 1 36 36 MET HA H 36 4.535 4.535 4.656 -0.121 19535 1199 1 5 . 1 1 36 36 MET C C 36 175.182 175.182 174.616 0.566 19535 1200 1 5 . 1 1 36 36 MET CA C 36 56.026 56.026 54.626 1.400 19535 1201 1 5 . 1 1 36 36 MET CB C 36 33.032 33.032 34.065 -1.033 19535 1202 1 5 . 1 1 36 36 MET H H 36 8.132 8.132 8.440 -0.308 19535 1203 1 5 . 1 1 37 37 MET N N 37 120.609 120.609 124.994 -4.385 19535 1204 1 5 . 1 1 37 37 MET HA H 37 4.629 4.629 4.590 0.039 19535 1205 1 5 . 1 1 37 37 MET C C 37 175.081 175.081 174.779 0.302 19535 1206 1 5 . 1 1 37 37 MET CA C 37 56.043 56.043 54.524 1.519 19535 1207 1 5 . 1 1 37 37 MET CB C 37 33.041 33.041 32.570 0.471 19535 1208 1 5 . 1 1 37 37 MET H H 37 8.289 8.289 8.870 -0.581 19535 1209 1 5 . 1 1 38 38 VAL N N 38 119.594 119.594 127.665 -8.071 19535 1210 1 5 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.176 0.162 19535 1211 1 5 . 1 1 38 38 VAL C C 38 175.335 175.335 175.458 -0.123 19535 1212 1 5 . 1 1 38 38 VAL CA C 38 62.647 62.647 62.198 0.449 19535 1213 1 5 . 1 1 38 38 VAL CB C 38 32.887 32.887 30.702 2.185 19535 1214 1 5 . 1 1 38 38 VAL H H 38 8.054 8.054 8.587 -0.533 19535 1215 1 5 . 1 1 39 39 GLY N N 39 111.351 111.351 115.032 -3.681 19535 1216 1 5 . 1 1 39 39 GLY C C 39 172.429 172.429 173.584 -1.155 19535 1217 1 5 . 1 1 39 39 GLY CA C 39 45.473 45.473 45.388 0.085 19535 1218 1 5 . 1 1 39 39 GLY H H 39 8.329 8.329 8.168 0.161 19535 1219 1 5 . 1 1 40 40 ASN N N 40 118.075 118.075 118.631 -0.556 19535 1220 1 5 . 1 1 40 40 ASN HA H 40 4.945 4.945 5.143 -0.198 19535 1221 1 5 . 1 1 40 40 ASN C C 40 173.984 173.984 173.919 0.065 19535 1222 1 5 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.011 1.743 19535 1223 1 5 . 1 1 40 40 ASN CB C 40 39.972 39.972 41.622 -1.650 19535 1224 1 5 . 1 1 40 40 ASN H H 40 8.359 8.359 7.753 0.606 19535 1225 1 5 . 1 1 41 41 CYS N N 41 120.609 120.609 119.060 1.549 19535 1226 1 5 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.748 0.790 19535 1227 1 5 . 1 1 41 41 CYS C C 41 172.689 172.689 173.832 -1.143 19535 1228 1 5 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.347 -2.030 19535 1229 1 5 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.699 19.710 19535 1230 1 5 . 1 1 41 41 CYS H H 41 8.653 8.653 8.730 -0.077 19535 1231 1 5 . 1 1 42 42 MET N N 42 120.998 120.998 120.652 0.346 19535 1232 1 5 . 1 1 42 42 MET HA H 42 5.164 5.164 4.814 0.350 19535 1233 1 5 . 1 1 42 42 MET C C 42 175.208 175.208 175.406 -0.198 19535 1234 1 5 . 1 1 42 42 MET CA C 42 54.853 54.853 53.348 1.505 19535 1235 1 5 . 1 1 42 42 MET CB C 42 37.960 37.960 37.241 0.719 19535 1236 1 5 . 1 1 42 42 MET H H 42 8.967 8.967 8.422 0.545 19535 1237 1 5 . 1 1 43 43 CYS N N 43 122.297 122.297 118.797 3.500 19535 1238 1 5 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.417 1.088 19535 1239 1 5 . 1 1 43 43 CYS C C 43 175.820 175.820 175.036 0.784 19535 1240 1 5 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.191 -6.697 19535 1241 1 5 . 1 1 43 43 CYS CB C 43 35.707 35.707 27.083 8.624 19535 1242 1 5 . 1 1 43 43 CYS H H 43 9.478 9.478 8.366 1.112 19535 1243 1 5 . 1 1 44 44 GLY N N 44 114.932 114.932 109.054 5.878 19535 1244 1 5 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.921 1.704 19535 1245 1 5 . 1 1 44 44 GLY H H 44 9.712 9.712 7.720 1.992 19535 1246 1 5 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.530 0.086 19535 1247 1 5 . 1 1 45 45 PRO C C 45 175.386 175.386 176.345 -0.959 19535 1248 1 5 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.606 0.334 19535 1249 1 5 . 1 1 45 45 PRO CB C 45 32.225 32.225 33.200 -0.975 19535 1250 1 5 . 1 1 46 46 LYS N N 46 121.021 121.021 123.136 -2.115 19535 1251 1 5 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.211 0.067 19535 1252 1 5 . 1 1 46 46 LYS C C 46 174.902 174.902 176.924 -2.022 19535 1253 1 5 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.358 0.449 19535 1254 1 5 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.451 1.082 19535 1255 1 5 . 1 1 46 46 LYS H H 46 8.421 8.421 8.401 0.020 19535 1256 1 6 . 1 1 2 2 LYS N N 2 122.024 122.024 122.662 -0.638 19535 1257 1 6 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.499 0.030 19535 1258 1 6 . 1 1 2 2 LYS C C 2 175.284 175.284 176.240 -0.956 19535 1259 1 6 . 1 1 2 2 LYS CA C 2 56.758 56.758 55.941 0.817 19535 1260 1 6 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.277 0.077 19535 1261 1 6 . 1 1 2 2 LYS H H 2 8.776 8.776 8.309 0.467 19535 1262 1 6 . 1 1 3 3 GLU N N 3 122.436 122.436 122.988 -0.552 19535 1263 1 6 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.590 0.014 19535 1264 1 6 . 1 1 3 3 GLU C C 3 174.367 174.367 176.239 -1.872 19535 1265 1 6 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.627 0.294 19535 1266 1 6 . 1 1 3 3 GLU CB C 3 29.309 29.309 29.093 0.216 19535 1267 1 6 . 1 1 3 3 GLU H H 3 8.583 8.583 8.572 0.011 19535 1268 1 6 . 1 1 4 4 CYS N N 4 117.664 117.664 120.289 -2.625 19535 1269 1 6 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.608 0.378 19535 1270 1 6 . 1 1 4 4 CYS C C 4 172.658 172.658 175.179 -2.521 19535 1271 1 6 . 1 1 4 4 CYS CA C 4 54.150 54.150 58.016 -3.865 19535 1272 1 6 . 1 1 4 4 CYS CB C 4 42.390 42.390 28.908 13.482 19535 1273 1 6 . 1 1 4 4 CYS H H 4 8.165 8.165 8.916 -0.751 19535 1274 1 6 . 1 1 5 5 MET N N 5 118.071 118.071 119.906 -1.835 19535 1275 1 6 . 1 1 5 5 MET HA H 5 4.863 4.863 4.855 0.008 19535 1276 1 6 . 1 1 5 5 MET C C 5 175.055 175.055 176.058 -1.003 19535 1277 1 6 . 1 1 5 5 MET CA C 5 55.789 55.789 54.522 1.267 19535 1278 1 6 . 1 1 5 5 MET CB C 5 34.599 34.599 35.076 -0.477 19535 1279 1 6 . 1 1 5 5 MET H H 5 9.075 9.075 8.715 0.360 19535 1280 1 6 . 1 1 6 6 THR N N 6 116.953 116.953 113.448 3.505 19535 1281 1 6 . 1 1 6 6 THR HA H 6 4.224 4.224 4.491 -0.267 19535 1282 1 6 . 1 1 6 6 THR C C 6 174.188 174.188 174.078 0.110 19535 1283 1 6 . 1 1 6 6 THR CA C 6 61.777 61.777 60.498 1.279 19535 1284 1 6 . 1 1 6 6 THR CB C 6 70.305 70.305 69.647 0.658 19535 1285 1 6 . 1 1 6 6 THR H H 6 8.492 8.492 8.455 0.037 19535 1286 1 6 . 1 1 7 7 ASP N N 7 123.270 123.270 118.076 5.194 19535 1287 1 6 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.216 -0.120 19535 1288 1 6 . 1 1 7 7 ASP C C 7 175.284 175.284 177.041 -1.757 19535 1289 1 6 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.315 1.509 19535 1290 1 6 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.606 -1.395 19535 1291 1 6 . 1 1 7 7 ASP H H 7 8.643 8.643 8.315 0.329 19535 1292 1 6 . 1 1 8 8 GLY N N 8 111.423 111.423 110.289 1.134 19535 1293 1 6 . 1 1 8 8 GLY C C 8 173.117 173.117 174.830 -1.713 19535 1294 1 6 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.062 0.038 19535 1295 1 6 . 1 1 8 8 GLY H H 8 9.329 9.329 8.375 0.954 19535 1296 1 6 . 1 1 9 9 THR N N 9 116.646 116.646 119.988 -3.342 19535 1297 1 6 . 1 1 9 9 THR HA H 9 4.320 4.320 4.506 -0.186 19535 1298 1 6 . 1 1 9 9 THR C C 9 172.913 172.913 174.356 -1.443 19535 1299 1 6 . 1 1 9 9 THR CA C 9 63.312 63.312 62.365 0.947 19535 1300 1 6 . 1 1 9 9 THR CB C 9 70.010 70.010 69.543 0.467 19535 1301 1 6 . 1 1 9 9 THR H H 9 7.695 7.695 7.501 0.194 19535 1302 1 6 . 1 1 10 10 VAL N N 10 127.413 127.413 127.484 -0.071 19535 1303 1 6 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.717 0.507 19535 1304 1 6 . 1 1 10 10 VAL C C 10 173.194 173.194 176.128 -2.934 19535 1305 1 6 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.369 0.090 19535 1306 1 6 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.643 0.382 19535 1307 1 6 . 1 1 10 10 VAL H H 10 8.605 8.605 8.650 -0.045 19535 1308 1 6 . 1 1 11 11 CYS N N 11 120.712 120.712 123.738 -3.026 19535 1309 1 6 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.936 0.048 19535 1310 1 6 . 1 1 11 11 CYS C C 11 169.701 169.701 172.920 -3.219 19535 1311 1 6 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.488 -2.700 19535 1312 1 6 . 1 1 11 11 CYS CB C 11 49.168 49.168 31.268 17.900 19535 1313 1 6 . 1 1 11 11 CYS H H 11 7.743 7.743 7.994 -0.251 19535 1314 1 6 . 1 1 12 12 TYR N N 12 117.867 117.867 119.343 -1.476 19535 1315 1 6 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.790 0.177 19535 1316 1 6 . 1 1 12 12 TYR C C 12 175.577 175.577 176.447 -0.870 19535 1317 1 6 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.169 -0.431 19535 1318 1 6 . 1 1 12 12 TYR CB C 12 40.474 40.474 41.973 -1.499 19535 1319 1 6 . 1 1 12 12 TYR H H 12 8.324 8.324 8.258 0.066 19535 1320 1 6 . 1 1 13 13 ILE N N 13 122.840 122.840 124.113 -1.273 19535 1321 1 6 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.912 0.163 19535 1322 1 6 . 1 1 13 13 ILE C C 13 175.629 175.629 176.521 -0.892 19535 1323 1 6 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.985 -0.143 19535 1324 1 6 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.661 0.511 19535 1325 1 6 . 1 1 13 13 ILE H H 13 8.502 8.502 8.767 -0.265 19535 1326 1 6 . 1 1 14 14 HIS N N 14 117.156 117.156 118.118 -0.962 19535 1327 1 6 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.643 0.255 19535 1328 1 6 . 1 1 14 14 HIS C C 14 173.219 173.219 174.441 -1.222 19535 1329 1 6 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.887 -0.024 19535 1330 1 6 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.401 -1.053 19535 1331 1 6 . 1 1 14 14 HIS H H 14 8.437 8.437 8.122 0.315 19535 1332 1 6 . 1 1 15 15 ASN N N 15 117.243 117.243 118.508 -1.265 19535 1333 1 6 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.690 0.247 19535 1334 1 6 . 1 1 15 15 ASN C C 15 174.010 174.010 174.349 -0.339 19535 1335 1 6 . 1 1 15 15 ASN CA C 15 53.123 53.123 52.936 0.187 19535 1336 1 6 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.607 0.139 19535 1337 1 6 . 1 1 15 15 ASN H H 15 7.934 7.934 7.679 0.255 19535 1338 1 6 . 1 1 16 16 HIS N N 16 118.072 118.072 115.613 2.459 19535 1339 1 6 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.211 0.424 19535 1340 1 6 . 1 1 16 16 HIS C C 16 173.449 173.449 173.941 -0.492 19535 1341 1 6 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.536 -0.896 19535 1342 1 6 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.527 0.924 19535 1343 1 6 . 1 1 16 16 HIS H H 16 8.402 8.402 8.229 0.173 19535 1344 1 6 . 1 1 17 17 ASN N N 17 120.144 120.144 118.684 1.460 19535 1345 1 6 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.800 0.115 19535 1346 1 6 . 1 1 17 17 ASN C C 17 173.857 173.857 174.935 -1.078 19535 1347 1 6 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.312 0.205 19535 1348 1 6 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.020 0.135 19535 1349 1 6 . 1 1 17 17 ASN H H 17 8.567 8.567 7.886 0.681 19535 1350 1 6 . 1 1 18 18 ASP N N 18 121.570 121.570 126.057 -4.487 19535 1351 1 6 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.863 0.219 19535 1352 1 6 . 1 1 18 18 ASP C C 18 175.565 175.565 174.642 0.923 19535 1353 1 6 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.316 0.021 19535 1354 1 6 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.295 -1.260 19535 1355 1 6 . 1 1 18 18 ASP H H 18 8.623 8.623 8.679 -0.056 19535 1356 1 6 . 1 1 19 19 CYS N N 19 119.788 119.788 120.520 -0.732 19535 1357 1 6 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.718 0.154 19535 1358 1 6 . 1 1 19 19 CYS C C 19 174.188 174.188 175.509 -1.321 19535 1359 1 6 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.628 -3.502 19535 1360 1 6 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.040 7.129 19535 1361 1 6 . 1 1 19 19 CYS H H 19 8.370 8.370 8.702 -0.332 19535 1362 1 6 . 1 1 20 20 CYS N N 20 123.247 123.247 123.664 -0.417 19535 1363 1 6 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.293 0.315 19535 1364 1 6 . 1 1 20 20 CYS C C 20 175.514 175.514 175.222 0.292 19535 1365 1 6 . 1 1 20 20 CYS CA C 20 57.344 57.344 61.268 -3.924 19535 1366 1 6 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.648 11.563 19535 1367 1 6 . 1 1 20 20 CYS H H 20 9.556 9.556 9.095 0.461 19535 1368 1 6 . 1 1 21 21 GLY N N 21 109.083 109.083 105.392 3.691 19535 1369 1 6 . 1 1 21 21 GLY C C 21 171.945 171.945 172.963 -1.018 19535 1370 1 6 . 1 1 21 21 GLY CA C 21 45.117 45.117 44.049 1.068 19535 1371 1 6 . 1 1 21 21 GLY H H 21 8.968 8.968 7.910 1.058 19535 1372 1 6 . 1 1 22 22 SER N N 22 121.727 121.727 114.600 7.127 19535 1373 1 6 . 1 1 22 22 SER HA H 22 4.798 4.798 4.698 0.100 19535 1374 1 6 . 1 1 22 22 SER C C 22 170.670 170.670 174.767 -4.097 19535 1375 1 6 . 1 1 22 22 SER CA C 22 57.668 57.668 57.842 -0.174 19535 1376 1 6 . 1 1 22 22 SER CB C 22 66.662 66.662 64.645 2.017 19535 1377 1 6 . 1 1 22 22 SER H H 22 9.116 9.116 8.063 1.053 19535 1378 1 6 . 1 1 23 23 CYS N N 23 123.558 123.558 124.563 -1.005 19535 1379 1 6 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.672 0.274 19535 1380 1 6 . 1 1 23 23 CYS C C 23 171.894 171.894 175.287 -3.393 19535 1381 1 6 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.632 -3.767 19535 1382 1 6 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.712 12.502 19535 1383 1 6 . 1 1 23 23 CYS H H 23 8.848 8.848 8.887 -0.039 19535 1384 1 6 . 1 1 24 24 LEU N N 24 131.578 131.578 127.540 4.038 19535 1385 1 6 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.643 0.103 19535 1386 1 6 . 1 1 24 24 LEU C C 24 175.871 175.871 175.947 -0.076 19535 1387 1 6 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.817 0.784 19535 1388 1 6 . 1 1 24 24 LEU CB C 24 43.222 43.222 43.875 -0.653 19535 1389 1 6 . 1 1 24 24 LEU H H 24 8.582 8.582 8.660 -0.078 19535 1390 1 6 . 1 1 25 25 CYS N N 25 122.657 122.657 124.707 -2.050 19535 1391 1 6 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.827 0.505 19535 1392 1 6 . 1 1 25 25 CYS C C 25 173.806 173.806 175.469 -1.663 19535 1393 1 6 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.150 -3.583 19535 1394 1 6 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.720 18.575 19535 1395 1 6 . 1 1 25 25 CYS H H 25 8.832 8.832 8.943 -0.111 19535 1396 1 6 . 1 1 26 26 SER N N 26 117.664 117.664 120.624 -2.960 19535 1397 1 6 . 1 1 26 26 SER HA H 26 4.648 4.648 4.435 0.213 19535 1398 1 6 . 1 1 26 26 SER C C 26 173.194 173.194 174.331 -1.137 19535 1399 1 6 . 1 1 26 26 SER CA C 26 58.458 58.458 58.669 -0.211 19535 1400 1 6 . 1 1 26 26 SER CB C 26 64.218 64.218 63.739 0.479 19535 1401 1 6 . 1 1 26 26 SER H H 26 8.550 8.550 8.400 0.150 19535 1402 1 6 . 1 1 27 27 ASN N N 27 120.609 120.609 127.360 -6.751 19535 1403 1 6 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.935 0.019 19535 1404 1 6 . 1 1 27 27 ASN C C 27 174.341 174.341 175.792 -1.451 19535 1405 1 6 . 1 1 27 27 ASN CA C 27 53.498 53.498 51.725 1.773 19535 1406 1 6 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.270 0.131 19535 1407 1 6 . 1 1 27 27 ASN H H 27 8.663 8.663 8.552 0.111 19535 1408 1 6 . 1 1 28 28 GLY N N 28 109.128 109.128 109.767 -0.639 19535 1409 1 6 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.369 0.924 19535 1410 1 6 . 1 1 28 28 GLY H H 28 8.232 8.232 7.454 0.778 19535 1411 1 6 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.404 0.169 19535 1412 1 6 . 1 1 29 29 PRO C C 29 176.100 176.100 176.226 -0.126 19535 1413 1 6 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.051 0.395 19535 1414 1 6 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.273 -0.132 19535 1415 1 6 . 1 1 30 30 ILE N N 30 120.101 120.101 117.136 2.965 19535 1416 1 6 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.491 -0.233 19535 1417 1 6 . 1 1 30 30 ILE C C 30 174.928 174.928 175.430 -0.502 19535 1418 1 6 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.649 0.515 19535 1419 1 6 . 1 1 30 30 ILE CB C 30 39.008 39.008 39.553 -0.545 19535 1420 1 6 . 1 1 30 30 ILE H H 30 8.059 8.059 7.969 0.090 19535 1421 1 6 . 1 1 31 31 ALA N N 31 127.003 127.003 130.391 -3.388 19535 1422 1 6 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.473 -0.041 19535 1423 1 6 . 1 1 31 31 ALA C C 31 176.355 176.355 177.878 -1.523 19535 1424 1 6 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.746 0.150 19535 1425 1 6 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.755 -0.290 19535 1426 1 6 . 1 1 31 31 ALA H H 31 8.303 8.303 8.860 -0.557 19535 1427 1 6 . 1 1 32 32 ARG N N 32 118.980 118.980 119.137 -0.157 19535 1428 1 6 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.861 -0.382 19535 1429 1 6 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.678 -0.085 19535 1430 1 6 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.575 -0.224 19535 1431 1 6 . 1 1 32 32 ARG H H 32 7.910 7.910 8.283 -0.373 19535 1432 1 6 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.775 -0.386 19535 1433 1 6 . 1 1 33 33 PRO C C 33 175.947 175.947 176.905 -0.958 19535 1434 1 6 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.399 0.160 19535 1435 1 6 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.902 0.033 19535 1436 1 6 . 1 1 34 34 TRP N N 34 116.547 116.547 118.991 -2.444 19535 1437 1 6 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.541 0.229 19535 1438 1 6 . 1 1 34 34 TRP C C 34 175.488 175.488 177.311 -1.823 19535 1439 1 6 . 1 1 34 34 TRP CA C 34 57.887 57.887 59.194 -1.307 19535 1440 1 6 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.201 -0.613 19535 1441 1 6 . 1 1 34 34 TRP H H 34 7.479 7.479 8.358 -0.879 19535 1442 1 6 . 1 1 35 35 GLU N N 35 120.618 120.618 116.933 3.685 19535 1443 1 6 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.490 -0.108 19535 1444 1 6 . 1 1 35 35 GLU C C 35 174.902 174.902 176.882 -1.980 19535 1445 1 6 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.185 -0.618 19535 1446 1 6 . 1 1 35 35 GLU CB C 35 29.320 29.320 30.946 -1.626 19535 1447 1 6 . 1 1 35 35 GLU H H 35 7.817 7.817 7.865 -0.049 19535 1448 1 6 . 1 1 36 36 MET N N 36 119.553 119.553 120.395 -0.842 19535 1449 1 6 . 1 1 36 36 MET HA H 36 4.535 4.535 4.770 -0.235 19535 1450 1 6 . 1 1 36 36 MET C C 36 175.182 175.182 174.776 0.406 19535 1451 1 6 . 1 1 36 36 MET CA C 36 56.026 56.026 54.569 1.457 19535 1452 1 6 . 1 1 36 36 MET CB C 36 33.032 33.032 32.973 0.059 19535 1453 1 6 . 1 1 36 36 MET H H 36 8.132 8.132 8.324 -0.192 19535 1454 1 6 . 1 1 37 37 MET N N 37 120.609 120.609 125.744 -5.135 19535 1455 1 6 . 1 1 37 37 MET HA H 37 4.629 4.629 4.703 -0.074 19535 1456 1 6 . 1 1 37 37 MET C C 37 175.081 175.081 174.678 0.403 19535 1457 1 6 . 1 1 37 37 MET CA C 37 56.043 56.043 54.786 1.257 19535 1458 1 6 . 1 1 37 37 MET CB C 37 33.041 33.041 32.933 0.108 19535 1459 1 6 . 1 1 37 37 MET H H 37 8.289 8.289 8.570 -0.281 19535 1460 1 6 . 1 1 38 38 VAL N N 38 119.594 119.594 126.562 -6.968 19535 1461 1 6 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.487 -0.149 19535 1462 1 6 . 1 1 38 38 VAL C C 38 175.335 175.335 174.756 0.579 19535 1463 1 6 . 1 1 38 38 VAL CA C 38 62.647 62.647 61.234 1.413 19535 1464 1 6 . 1 1 38 38 VAL CB C 38 32.887 32.887 34.216 -1.329 19535 1465 1 6 . 1 1 38 38 VAL H H 38 8.054 8.054 8.346 -0.292 19535 1466 1 6 . 1 1 39 39 GLY N N 39 111.351 111.351 113.955 -2.604 19535 1467 1 6 . 1 1 39 39 GLY C C 39 172.429 172.429 173.555 -1.126 19535 1468 1 6 . 1 1 39 39 GLY CA C 39 45.473 45.473 45.061 0.412 19535 1469 1 6 . 1 1 39 39 GLY H H 39 8.329 8.329 8.516 -0.187 19535 1470 1 6 . 1 1 40 40 ASN N N 40 118.075 118.075 118.452 -0.377 19535 1471 1 6 . 1 1 40 40 ASN HA H 40 4.945 4.945 5.085 -0.140 19535 1472 1 6 . 1 1 40 40 ASN C C 40 173.984 173.984 173.939 0.045 19535 1473 1 6 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.560 1.194 19535 1474 1 6 . 1 1 40 40 ASN CB C 40 39.972 39.972 41.182 -1.210 19535 1475 1 6 . 1 1 40 40 ASN H H 40 8.359 8.359 7.874 0.485 19535 1476 1 6 . 1 1 41 41 CYS N N 41 120.609 120.609 118.509 2.100 19535 1477 1 6 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.919 0.619 19535 1478 1 6 . 1 1 41 41 CYS C C 41 172.689 172.689 173.815 -1.126 19535 1479 1 6 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.155 -1.838 19535 1480 1 6 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.096 20.313 19535 1481 1 6 . 1 1 41 41 CYS H H 41 8.653 8.653 8.692 -0.039 19535 1482 1 6 . 1 1 42 42 MET N N 42 120.998 120.998 121.384 -0.386 19535 1483 1 6 . 1 1 42 42 MET HA H 42 5.164 5.164 4.734 0.430 19535 1484 1 6 . 1 1 42 42 MET C C 42 175.208 175.208 175.161 0.047 19535 1485 1 6 . 1 1 42 42 MET CA C 42 54.853 54.853 54.031 0.822 19535 1486 1 6 . 1 1 42 42 MET CB C 42 37.960 37.960 36.544 1.416 19535 1487 1 6 . 1 1 42 42 MET H H 42 8.967 8.967 8.460 0.507 19535 1488 1 6 . 1 1 43 43 CYS N N 43 122.297 122.297 118.889 3.408 19535 1489 1 6 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.358 1.147 19535 1490 1 6 . 1 1 43 43 CYS C C 43 175.820 175.820 175.190 0.630 19535 1491 1 6 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.407 -6.913 19535 1492 1 6 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.764 8.943 19535 1493 1 6 . 1 1 43 43 CYS H H 43 9.478 9.478 8.289 1.189 19535 1494 1 6 . 1 1 44 44 GLY N N 44 114.932 114.932 109.239 5.693 19535 1495 1 6 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.742 1.883 19535 1496 1 6 . 1 1 44 44 GLY H H 44 9.712 9.712 7.902 1.810 19535 1497 1 6 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.482 0.134 19535 1498 1 6 . 1 1 45 45 PRO C C 45 175.386 175.386 176.395 -1.009 19535 1499 1 6 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.788 0.152 19535 1500 1 6 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.456 -0.231 19535 1501 1 6 . 1 1 46 46 LYS N N 46 121.021 121.021 122.130 -1.109 19535 1502 1 6 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.377 -0.099 19535 1503 1 6 . 1 1 46 46 LYS C C 46 174.902 174.902 176.989 -2.087 19535 1504 1 6 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.148 0.659 19535 1505 1 6 . 1 1 46 46 LYS CB C 46 33.533 33.533 33.101 0.432 19535 1506 1 6 . 1 1 46 46 LYS H H 46 8.421 8.421 8.400 0.021 19535 1507 1 7 . 1 1 2 2 LYS N N 2 122.024 122.024 120.343 1.681 19535 1508 1 7 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.540 -0.011 19535 1509 1 7 . 1 1 2 2 LYS C C 2 175.284 175.284 174.790 0.494 19535 1510 1 7 . 1 1 2 2 LYS CA C 2 56.758 56.758 55.662 1.096 19535 1511 1 7 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.337 0.017 19535 1512 1 7 . 1 1 2 2 LYS H H 2 8.776 8.776 8.568 0.208 19535 1513 1 7 . 1 1 3 3 GLU N N 3 122.436 122.436 122.477 -0.041 19535 1514 1 7 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.316 0.288 19535 1515 1 7 . 1 1 3 3 GLU C C 3 174.367 174.367 175.982 -1.615 19535 1516 1 7 . 1 1 3 3 GLU CA C 3 55.921 55.921 56.513 -0.592 19535 1517 1 7 . 1 1 3 3 GLU CB C 3 29.309 29.309 27.867 1.442 19535 1518 1 7 . 1 1 3 3 GLU H H 3 8.583 8.583 8.531 0.052 19535 1519 1 7 . 1 1 4 4 CYS N N 4 117.664 117.664 120.825 -3.161 19535 1520 1 7 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.901 0.085 19535 1521 1 7 . 1 1 4 4 CYS C C 4 172.658 172.658 174.362 -1.704 19535 1522 1 7 . 1 1 4 4 CYS CA C 4 54.150 54.150 55.701 -1.551 19535 1523 1 7 . 1 1 4 4 CYS CB C 4 42.390 42.390 29.858 12.532 19535 1524 1 7 . 1 1 4 4 CYS H H 4 8.165 8.165 8.115 0.050 19535 1525 1 7 . 1 1 5 5 MET N N 5 118.071 118.071 119.773 -1.702 19535 1526 1 7 . 1 1 5 5 MET HA H 5 4.863 4.863 4.906 -0.043 19535 1527 1 7 . 1 1 5 5 MET C C 5 175.055 175.055 176.382 -1.327 19535 1528 1 7 . 1 1 5 5 MET CA C 5 55.789 55.789 54.705 1.084 19535 1529 1 7 . 1 1 5 5 MET CB C 5 34.599 34.599 35.553 -0.954 19535 1530 1 7 . 1 1 5 5 MET H H 5 9.075 9.075 8.744 0.331 19535 1531 1 7 . 1 1 6 6 THR N N 6 116.953 116.953 113.442 3.511 19535 1532 1 7 . 1 1 6 6 THR HA H 6 4.224 4.224 4.535 -0.311 19535 1533 1 7 . 1 1 6 6 THR C C 6 174.188 174.188 173.955 0.233 19535 1534 1 7 . 1 1 6 6 THR CA C 6 61.777 61.777 60.443 1.335 19535 1535 1 7 . 1 1 6 6 THR CB C 6 70.305 70.305 69.488 0.817 19535 1536 1 7 . 1 1 6 6 THR H H 6 8.492 8.492 8.387 0.105 19535 1537 1 7 . 1 1 7 7 ASP N N 7 123.270 123.270 116.806 6.464 19535 1538 1 7 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.186 -0.090 19535 1539 1 7 . 1 1 7 7 ASP C C 7 175.284 175.284 176.979 -1.695 19535 1540 1 7 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.116 1.708 19535 1541 1 7 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.727 -1.516 19535 1542 1 7 . 1 1 7 7 ASP H H 7 8.643 8.643 8.306 0.337 19535 1543 1 7 . 1 1 8 8 GLY N N 8 111.423 111.423 110.134 1.289 19535 1544 1 7 . 1 1 8 8 GLY C C 8 173.117 173.117 174.630 -1.513 19535 1545 1 7 . 1 1 8 8 GLY CA C 8 45.100 45.100 44.996 0.104 19535 1546 1 7 . 1 1 8 8 GLY H H 8 9.329 9.329 8.427 0.902 19535 1547 1 7 . 1 1 9 9 THR N N 9 116.646 116.646 119.677 -3.031 19535 1548 1 7 . 1 1 9 9 THR HA H 9 4.320 4.320 4.436 -0.116 19535 1549 1 7 . 1 1 9 9 THR C C 9 172.913 172.913 174.631 -1.718 19535 1550 1 7 . 1 1 9 9 THR CA C 9 63.312 63.312 61.986 1.326 19535 1551 1 7 . 1 1 9 9 THR CB C 9 70.010 70.010 69.616 0.394 19535 1552 1 7 . 1 1 9 9 THR H H 9 7.695 7.695 7.454 0.241 19535 1553 1 7 . 1 1 10 10 VAL N N 10 127.413 127.413 127.118 0.295 19535 1554 1 7 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.579 0.645 19535 1555 1 7 . 1 1 10 10 VAL C C 10 173.194 173.194 175.943 -2.749 19535 1556 1 7 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.243 0.216 19535 1557 1 7 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.757 0.268 19535 1558 1 7 . 1 1 10 10 VAL H H 10 8.605 8.605 8.550 0.055 19535 1559 1 7 . 1 1 11 11 CYS N N 11 120.712 120.712 122.936 -2.224 19535 1560 1 7 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.793 0.191 19535 1561 1 7 . 1 1 11 11 CYS C C 11 169.701 169.701 173.278 -3.577 19535 1562 1 7 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.559 -2.771 19535 1563 1 7 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.865 18.303 19535 1564 1 7 . 1 1 11 11 CYS H H 11 7.743 7.743 8.126 -0.383 19535 1565 1 7 . 1 1 12 12 TYR N N 12 117.867 117.867 120.413 -2.546 19535 1566 1 7 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.828 0.139 19535 1567 1 7 . 1 1 12 12 TYR C C 12 175.577 175.577 176.778 -1.201 19535 1568 1 7 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.224 -0.486 19535 1569 1 7 . 1 1 12 12 TYR CB C 12 40.474 40.474 41.686 -1.212 19535 1570 1 7 . 1 1 12 12 TYR H H 12 8.324 8.324 8.134 0.190 19535 1571 1 7 . 1 1 13 13 ILE N N 13 122.840 122.840 124.316 -1.476 19535 1572 1 7 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.912 0.163 19535 1573 1 7 . 1 1 13 13 ILE C C 13 175.629 175.629 176.599 -0.970 19535 1574 1 7 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.900 -0.058 19535 1575 1 7 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.624 0.548 19535 1576 1 7 . 1 1 13 13 ILE H H 13 8.502 8.502 8.868 -0.366 19535 1577 1 7 . 1 1 14 14 HIS N N 14 117.156 117.156 117.499 -0.343 19535 1578 1 7 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.659 0.239 19535 1579 1 7 . 1 1 14 14 HIS C C 14 173.219 173.219 174.495 -1.276 19535 1580 1 7 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.910 -0.047 19535 1581 1 7 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.235 -0.887 19535 1582 1 7 . 1 1 14 14 HIS H H 14 8.437 8.437 8.050 0.387 19535 1583 1 7 . 1 1 15 15 ASN N N 15 117.243 117.243 117.888 -0.645 19535 1584 1 7 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.714 0.223 19535 1585 1 7 . 1 1 15 15 ASN C C 15 174.010 174.010 174.540 -0.530 19535 1586 1 7 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.017 0.107 19535 1587 1 7 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.877 -0.131 19535 1588 1 7 . 1 1 15 15 ASN H H 15 7.934 7.934 7.619 0.315 19535 1589 1 7 . 1 1 16 16 HIS N N 16 118.072 118.072 115.901 2.171 19535 1590 1 7 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.141 0.494 19535 1591 1 7 . 1 1 16 16 HIS C C 16 173.449 173.449 173.863 -0.414 19535 1592 1 7 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.575 -0.935 19535 1593 1 7 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.527 0.924 19535 1594 1 7 . 1 1 16 16 HIS H H 16 8.402 8.402 8.233 0.169 19535 1595 1 7 . 1 1 17 17 ASN N N 17 120.144 120.144 117.695 2.449 19535 1596 1 7 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.767 0.148 19535 1597 1 7 . 1 1 17 17 ASN C C 17 173.857 173.857 174.691 -0.834 19535 1598 1 7 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.935 -0.418 19535 1599 1 7 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.398 -0.243 19535 1600 1 7 . 1 1 17 17 ASN H H 17 8.567 8.567 7.837 0.730 19535 1601 1 7 . 1 1 18 18 ASP N N 18 121.570 121.570 124.323 -2.753 19535 1602 1 7 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.798 0.284 19535 1603 1 7 . 1 1 18 18 ASP C C 18 175.565 175.565 174.497 1.068 19535 1604 1 7 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.056 0.281 19535 1605 1 7 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.306 -1.271 19535 1606 1 7 . 1 1 18 18 ASP H H 18 8.623 8.623 8.614 0.009 19535 1607 1 7 . 1 1 19 19 CYS N N 19 119.788 119.788 120.495 -0.707 19535 1608 1 7 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.705 0.167 19535 1609 1 7 . 1 1 19 19 CYS C C 19 174.188 174.188 175.823 -1.635 19535 1610 1 7 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.762 -3.636 19535 1611 1 7 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.364 6.804 19535 1612 1 7 . 1 1 19 19 CYS H H 19 8.370 8.370 8.644 -0.274 19535 1613 1 7 . 1 1 20 20 CYS N N 20 123.247 123.247 124.352 -1.105 19535 1614 1 7 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.289 0.319 19535 1615 1 7 . 1 1 20 20 CYS C C 20 175.514 175.514 174.919 0.595 19535 1616 1 7 . 1 1 20 20 CYS CA C 20 57.344 57.344 61.074 -3.730 19535 1617 1 7 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.490 11.721 19535 1618 1 7 . 1 1 20 20 CYS H H 20 9.556 9.556 8.965 0.591 19535 1619 1 7 . 1 1 21 21 GLY N N 21 109.083 109.083 105.206 3.877 19535 1620 1 7 . 1 1 21 21 GLY C C 21 171.945 171.945 172.983 -1.038 19535 1621 1 7 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.698 1.419 19535 1622 1 7 . 1 1 21 21 GLY H H 21 8.968 8.968 7.955 1.013 19535 1623 1 7 . 1 1 22 22 SER N N 22 121.727 121.727 114.605 7.122 19535 1624 1 7 . 1 1 22 22 SER HA H 22 4.798 4.798 4.673 0.125 19535 1625 1 7 . 1 1 22 22 SER C C 22 170.670 170.670 174.761 -4.091 19535 1626 1 7 . 1 1 22 22 SER CA C 22 57.668 57.668 58.126 -0.458 19535 1627 1 7 . 1 1 22 22 SER CB C 22 66.662 66.662 64.690 1.972 19535 1628 1 7 . 1 1 22 22 SER H H 22 9.116 9.116 8.051 1.065 19535 1629 1 7 . 1 1 23 23 CYS N N 23 123.558 123.558 124.646 -1.088 19535 1630 1 7 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.673 0.273 19535 1631 1 7 . 1 1 23 23 CYS C C 23 171.894 171.894 175.259 -3.365 19535 1632 1 7 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.605 -3.740 19535 1633 1 7 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.771 12.443 19535 1634 1 7 . 1 1 23 23 CYS H H 23 8.848 8.848 8.886 -0.038 19535 1635 1 7 . 1 1 24 24 LEU N N 24 131.578 131.578 127.394 4.184 19535 1636 1 7 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.654 0.092 19535 1637 1 7 . 1 1 24 24 LEU C C 24 175.871 175.871 175.946 -0.075 19535 1638 1 7 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.818 0.783 19535 1639 1 7 . 1 1 24 24 LEU CB C 24 43.222 43.222 43.983 -0.761 19535 1640 1 7 . 1 1 24 24 LEU H H 24 8.582 8.582 8.661 -0.079 19535 1641 1 7 . 1 1 25 25 CYS N N 25 122.657 122.657 124.168 -1.511 19535 1642 1 7 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.682 0.650 19535 1643 1 7 . 1 1 25 25 CYS C C 25 173.806 173.806 175.382 -1.576 19535 1644 1 7 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.340 -3.773 19535 1645 1 7 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.823 18.471 19535 1646 1 7 . 1 1 25 25 CYS H H 25 8.832 8.832 9.047 -0.215 19535 1647 1 7 . 1 1 26 26 SER N N 26 117.664 117.664 119.363 -1.699 19535 1648 1 7 . 1 1 26 26 SER HA H 26 4.648 4.648 4.505 0.143 19535 1649 1 7 . 1 1 26 26 SER C C 26 173.194 173.194 174.424 -1.230 19535 1650 1 7 . 1 1 26 26 SER CA C 26 58.458 58.458 58.149 0.309 19535 1651 1 7 . 1 1 26 26 SER CB C 26 64.218 64.218 63.528 0.690 19535 1652 1 7 . 1 1 26 26 SER H H 26 8.550 8.550 8.405 0.145 19535 1653 1 7 . 1 1 27 27 ASN N N 27 120.609 120.609 126.961 -6.352 19535 1654 1 7 . 1 1 27 27 ASN HA H 27 4.954 4.954 5.016 -0.062 19535 1655 1 7 . 1 1 27 27 ASN C C 27 174.341 174.341 175.995 -1.654 19535 1656 1 7 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.119 1.379 19535 1657 1 7 . 1 1 27 27 ASN CB C 27 39.401 39.401 38.933 0.468 19535 1658 1 7 . 1 1 27 27 ASN H H 27 8.663 8.663 8.547 0.116 19535 1659 1 7 . 1 1 28 28 GLY N N 28 109.128 109.128 110.405 -1.277 19535 1660 1 7 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.440 0.853 19535 1661 1 7 . 1 1 28 28 GLY H H 28 8.232 8.232 7.481 0.751 19535 1662 1 7 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.433 0.140 19535 1663 1 7 . 1 1 29 29 PRO C C 29 176.100 176.100 175.925 0.175 19535 1664 1 7 . 1 1 29 29 PRO CA C 29 63.446 63.446 62.715 0.731 19535 1665 1 7 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.535 -0.394 19535 1666 1 7 . 1 1 30 30 ILE N N 30 120.101 120.101 114.398 5.703 19535 1667 1 7 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.582 -0.324 19535 1668 1 7 . 1 1 30 30 ILE C C 30 174.928 174.928 175.505 -0.577 19535 1669 1 7 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.660 0.504 19535 1670 1 7 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.812 0.196 19535 1671 1 7 . 1 1 30 30 ILE H H 30 8.059 8.059 8.177 -0.118 19535 1672 1 7 . 1 1 31 31 ALA N N 31 127.003 127.003 130.891 -3.888 19535 1673 1 7 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.417 0.015 19535 1674 1 7 . 1 1 31 31 ALA C C 31 176.355 176.355 177.219 -0.864 19535 1675 1 7 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.836 0.060 19535 1676 1 7 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.958 -0.493 19535 1677 1 7 . 1 1 31 31 ALA H H 31 8.303 8.303 8.880 -0.577 19535 1678 1 7 . 1 1 32 32 ARG N N 32 118.980 118.980 117.186 1.794 19535 1679 1 7 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.706 -0.227 19535 1680 1 7 . 1 1 32 32 ARG CA C 32 53.593 53.593 54.293 -0.700 19535 1681 1 7 . 1 1 32 32 ARG CB C 32 30.351 30.351 29.537 0.814 19535 1682 1 7 . 1 1 32 32 ARG H H 32 7.910 7.910 8.170 -0.260 19535 1683 1 7 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.783 -0.394 19535 1684 1 7 . 1 1 33 33 PRO C C 33 175.947 175.947 176.164 -0.217 19535 1685 1 7 . 1 1 33 33 PRO CA C 33 64.559 64.559 63.739 0.820 19535 1686 1 7 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.684 0.251 19535 1687 1 7 . 1 1 34 34 TRP N N 34 116.547 116.547 118.168 -1.621 19535 1688 1 7 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.605 0.165 19535 1689 1 7 . 1 1 34 34 TRP C C 34 175.488 175.488 177.726 -2.238 19535 1690 1 7 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.443 -0.556 19535 1691 1 7 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.351 -0.763 19535 1692 1 7 . 1 1 34 34 TRP H H 34 7.479 7.479 8.314 -0.835 19535 1693 1 7 . 1 1 35 35 GLU N N 35 120.618 120.618 117.662 2.956 19535 1694 1 7 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.354 0.028 19535 1695 1 7 . 1 1 35 35 GLU C C 35 174.902 174.902 176.519 -1.617 19535 1696 1 7 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.326 -0.759 19535 1697 1 7 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.070 -1.750 19535 1698 1 7 . 1 1 35 35 GLU H H 35 7.817 7.817 7.745 0.072 19535 1699 1 7 . 1 1 36 36 MET N N 36 119.553 119.553 114.960 4.593 19535 1700 1 7 . 1 1 36 36 MET HA H 36 4.535 4.535 4.615 -0.080 19535 1701 1 7 . 1 1 36 36 MET C C 36 175.182 175.182 174.453 0.729 19535 1702 1 7 . 1 1 36 36 MET CA C 36 56.026 56.026 55.904 0.122 19535 1703 1 7 . 1 1 36 36 MET CB C 36 33.032 33.032 34.249 -1.217 19535 1704 1 7 . 1 1 36 36 MET H H 36 8.132 8.132 7.477 0.655 19535 1705 1 7 . 1 1 37 37 MET N N 37 120.609 120.609 124.921 -4.312 19535 1706 1 7 . 1 1 37 37 MET HA H 37 4.629 4.629 4.784 -0.155 19535 1707 1 7 . 1 1 37 37 MET C C 37 175.081 175.081 174.923 0.158 19535 1708 1 7 . 1 1 37 37 MET CA C 37 56.043 56.043 54.756 1.287 19535 1709 1 7 . 1 1 37 37 MET CB C 37 33.041 33.041 33.955 -0.913 19535 1710 1 7 . 1 1 37 37 MET H H 37 8.289 8.289 8.428 -0.139 19535 1711 1 7 . 1 1 38 38 VAL N N 38 119.594 119.594 126.534 -6.940 19535 1712 1 7 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.218 0.120 19535 1713 1 7 . 1 1 38 38 VAL C C 38 175.335 175.335 175.382 -0.047 19535 1714 1 7 . 1 1 38 38 VAL CA C 38 62.647 62.647 62.029 0.619 19535 1715 1 7 . 1 1 38 38 VAL CB C 38 32.887 32.887 31.717 1.170 19535 1716 1 7 . 1 1 38 38 VAL H H 38 8.054 8.054 8.559 -0.505 19535 1717 1 7 . 1 1 39 39 GLY N N 39 111.351 111.351 114.284 -2.933 19535 1718 1 7 . 1 1 39 39 GLY C C 39 172.429 172.429 173.563 -1.134 19535 1719 1 7 . 1 1 39 39 GLY CA C 39 45.473 45.473 45.140 0.333 19535 1720 1 7 . 1 1 39 39 GLY H H 39 8.329 8.329 8.686 -0.357 19535 1721 1 7 . 1 1 40 40 ASN N N 40 118.075 118.075 118.365 -0.290 19535 1722 1 7 . 1 1 40 40 ASN HA H 40 4.945 4.945 5.102 -0.157 19535 1723 1 7 . 1 1 40 40 ASN C C 40 173.984 173.984 173.863 0.121 19535 1724 1 7 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.423 1.331 19535 1725 1 7 . 1 1 40 40 ASN CB C 40 39.972 39.972 41.755 -1.784 19535 1726 1 7 . 1 1 40 40 ASN H H 40 8.359 8.359 7.835 0.524 19535 1727 1 7 . 1 1 41 41 CYS N N 41 120.609 120.609 118.713 1.896 19535 1728 1 7 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.934 0.604 19535 1729 1 7 . 1 1 41 41 CYS C C 41 172.689 172.689 173.826 -1.137 19535 1730 1 7 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.121 -1.804 19535 1731 1 7 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.100 20.309 19535 1732 1 7 . 1 1 41 41 CYS H H 41 8.653 8.653 8.725 -0.072 19535 1733 1 7 . 1 1 42 42 MET N N 42 120.998 120.998 121.262 -0.264 19535 1734 1 7 . 1 1 42 42 MET HA H 42 5.164 5.164 4.719 0.445 19535 1735 1 7 . 1 1 42 42 MET C C 42 175.208 175.208 175.113 0.095 19535 1736 1 7 . 1 1 42 42 MET CA C 42 54.853 54.853 54.025 0.828 19535 1737 1 7 . 1 1 42 42 MET CB C 42 37.960 37.960 36.698 1.262 19535 1738 1 7 . 1 1 42 42 MET H H 42 8.967 8.967 8.460 0.507 19535 1739 1 7 . 1 1 43 43 CYS N N 43 122.297 122.297 118.827 3.470 19535 1740 1 7 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.370 1.135 19535 1741 1 7 . 1 1 43 43 CYS C C 43 175.820 175.820 175.210 0.610 19535 1742 1 7 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.371 -6.877 19535 1743 1 7 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.821 8.886 19535 1744 1 7 . 1 1 43 43 CYS H H 43 9.478 9.478 8.283 1.195 19535 1745 1 7 . 1 1 44 44 GLY N N 44 114.932 114.932 109.176 5.756 19535 1746 1 7 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.754 1.871 19535 1747 1 7 . 1 1 44 44 GLY H H 44 9.712 9.712 7.818 1.894 19535 1748 1 7 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.608 0.008 19535 1749 1 7 . 1 1 45 45 PRO C C 45 175.386 175.386 176.273 -0.887 19535 1750 1 7 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.644 0.296 19535 1751 1 7 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.611 -0.386 19535 1752 1 7 . 1 1 46 46 LYS N N 46 121.021 121.021 122.423 -1.402 19535 1753 1 7 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.392 -0.114 19535 1754 1 7 . 1 1 46 46 LYS C C 46 174.902 174.902 175.890 -0.988 19535 1755 1 7 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.062 0.745 19535 1756 1 7 . 1 1 46 46 LYS CB C 46 33.533 33.533 33.080 0.453 19535 1757 1 7 . 1 1 46 46 LYS H H 46 8.421 8.421 8.533 -0.112 19535 1758 1 8 . 1 1 2 2 LYS N N 2 122.024 122.024 123.923 -1.899 19535 1759 1 8 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.419 0.110 19535 1760 1 8 . 1 1 2 2 LYS C C 2 175.284 175.284 176.482 -1.198 19535 1761 1 8 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.257 0.501 19535 1762 1 8 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.211 0.143 19535 1763 1 8 . 1 1 2 2 LYS H H 2 8.776 8.776 8.544 0.232 19535 1764 1 8 . 1 1 3 3 GLU N N 3 122.436 122.436 125.680 -3.244 19535 1765 1 8 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.445 0.159 19535 1766 1 8 . 1 1 3 3 GLU C C 3 174.367 174.367 176.060 -1.693 19535 1767 1 8 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.795 0.126 19535 1768 1 8 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.304 1.005 19535 1769 1 8 . 1 1 3 3 GLU H H 3 8.583 8.583 8.658 -0.075 19535 1770 1 8 . 1 1 4 4 CYS N N 4 117.664 117.664 118.290 -0.626 19535 1771 1 8 . 1 1 4 4 CYS HA H 4 4.986 4.986 5.452 -0.466 19535 1772 1 8 . 1 1 4 4 CYS C C 4 172.658 172.658 174.381 -1.723 19535 1773 1 8 . 1 1 4 4 CYS CA C 4 54.150 54.150 55.773 -1.623 19535 1774 1 8 . 1 1 4 4 CYS CB C 4 42.390 42.390 30.561 11.829 19535 1775 1 8 . 1 1 4 4 CYS H H 4 8.165 8.165 7.997 0.168 19535 1776 1 8 . 1 1 5 5 MET N N 5 118.071 118.071 119.754 -1.683 19535 1777 1 8 . 1 1 5 5 MET HA H 5 4.863 4.863 4.858 0.005 19535 1778 1 8 . 1 1 5 5 MET C C 5 175.055 175.055 176.183 -1.128 19535 1779 1 8 . 1 1 5 5 MET CA C 5 55.789 55.789 54.452 1.337 19535 1780 1 8 . 1 1 5 5 MET CB C 5 34.599 34.599 34.769 -0.170 19535 1781 1 8 . 1 1 5 5 MET H H 5 9.075 9.075 8.622 0.453 19535 1782 1 8 . 1 1 6 6 THR N N 6 116.953 116.953 113.835 3.118 19535 1783 1 8 . 1 1 6 6 THR HA H 6 4.224 4.224 4.469 -0.245 19535 1784 1 8 . 1 1 6 6 THR C C 6 174.188 174.188 174.254 -0.066 19535 1785 1 8 . 1 1 6 6 THR CA C 6 61.777 61.777 60.764 1.014 19535 1786 1 8 . 1 1 6 6 THR CB C 6 70.305 70.305 69.445 0.860 19535 1787 1 8 . 1 1 6 6 THR H H 6 8.492 8.492 8.525 -0.033 19535 1788 1 8 . 1 1 7 7 ASP N N 7 123.270 123.270 119.191 4.079 19535 1789 1 8 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.244 -0.148 19535 1790 1 8 . 1 1 7 7 ASP C C 7 175.284 175.284 176.937 -1.653 19535 1791 1 8 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.908 0.916 19535 1792 1 8 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.758 -1.547 19535 1793 1 8 . 1 1 7 7 ASP H H 7 8.643 8.643 8.380 0.263 19535 1794 1 8 . 1 1 8 8 GLY N N 8 111.423 111.423 111.338 0.085 19535 1795 1 8 . 1 1 8 8 GLY C C 8 173.117 173.117 174.939 -1.822 19535 1796 1 8 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.038 0.062 19535 1797 1 8 . 1 1 8 8 GLY H H 8 9.329 9.329 8.307 1.022 19535 1798 1 8 . 1 1 9 9 THR N N 9 116.646 116.646 120.243 -3.597 19535 1799 1 8 . 1 1 9 9 THR HA H 9 4.320 4.320 4.384 -0.064 19535 1800 1 8 . 1 1 9 9 THR C C 9 172.913 172.913 174.525 -1.612 19535 1801 1 8 . 1 1 9 9 THR CA C 9 63.312 63.312 62.838 0.474 19535 1802 1 8 . 1 1 9 9 THR CB C 9 70.010 70.010 69.194 0.816 19535 1803 1 8 . 1 1 9 9 THR H H 9 7.695 7.695 7.491 0.204 19535 1804 1 8 . 1 1 10 10 VAL N N 10 127.413 127.413 127.388 0.025 19535 1805 1 8 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.734 0.490 19535 1806 1 8 . 1 1 10 10 VAL C C 10 173.194 173.194 175.995 -2.801 19535 1807 1 8 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.563 -0.104 19535 1808 1 8 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.355 0.670 19535 1809 1 8 . 1 1 10 10 VAL H H 10 8.605 8.605 8.557 0.048 19535 1810 1 8 . 1 1 11 11 CYS N N 11 120.712 120.712 126.173 -5.461 19535 1811 1 8 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.807 0.177 19535 1812 1 8 . 1 1 11 11 CYS C C 11 169.701 169.701 172.503 -2.802 19535 1813 1 8 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.516 -2.728 19535 1814 1 8 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.290 18.878 19535 1815 1 8 . 1 1 11 11 CYS H H 11 7.743 7.743 8.062 -0.319 19535 1816 1 8 . 1 1 12 12 TYR N N 12 117.867 117.867 118.764 -0.897 19535 1817 1 8 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.857 0.110 19535 1818 1 8 . 1 1 12 12 TYR C C 12 175.577 175.577 176.919 -1.342 19535 1819 1 8 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.083 -0.345 19535 1820 1 8 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.679 -2.205 19535 1821 1 8 . 1 1 12 12 TYR H H 12 8.324 8.324 8.003 0.321 19535 1822 1 8 . 1 1 13 13 ILE N N 13 122.840 122.840 123.626 -0.786 19535 1823 1 8 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.952 0.123 19535 1824 1 8 . 1 1 13 13 ILE C C 13 175.629 175.629 176.516 -0.887 19535 1825 1 8 . 1 1 13 13 ILE CA C 13 62.842 62.842 63.126 -0.284 19535 1826 1 8 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.547 0.625 19535 1827 1 8 . 1 1 13 13 ILE H H 13 8.502 8.502 8.842 -0.340 19535 1828 1 8 . 1 1 14 14 HIS N N 14 117.156 117.156 118.026 -0.870 19535 1829 1 8 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.704 0.194 19535 1830 1 8 . 1 1 14 14 HIS C C 14 173.219 173.219 175.028 -1.809 19535 1831 1 8 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.970 -0.107 19535 1832 1 8 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.505 -1.157 19535 1833 1 8 . 1 1 14 14 HIS H H 14 8.437 8.437 8.226 0.211 19535 1834 1 8 . 1 1 15 15 ASN N N 15 117.243 117.243 118.584 -1.341 19535 1835 1 8 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.716 0.221 19535 1836 1 8 . 1 1 15 15 ASN C C 15 174.010 174.010 174.656 -0.646 19535 1837 1 8 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.208 -0.085 19535 1838 1 8 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.404 0.342 19535 1839 1 8 . 1 1 15 15 ASN H H 15 7.934 7.934 7.849 0.085 19535 1840 1 8 . 1 1 16 16 HIS N N 16 118.072 118.072 116.911 1.161 19535 1841 1 8 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.258 0.377 19535 1842 1 8 . 1 1 16 16 HIS C C 16 173.449 173.449 173.530 -0.081 19535 1843 1 8 . 1 1 16 16 HIS CA C 16 56.640 56.640 56.990 -0.350 19535 1844 1 8 . 1 1 16 16 HIS CB C 16 28.451 28.451 28.364 0.087 19535 1845 1 8 . 1 1 16 16 HIS H H 16 8.402 8.402 8.466 -0.064 19535 1846 1 8 . 1 1 17 17 ASN N N 17 120.144 120.144 118.269 1.875 19535 1847 1 8 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.721 0.194 19535 1848 1 8 . 1 1 17 17 ASN C C 17 173.857 173.857 174.545 -0.688 19535 1849 1 8 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.307 0.210 19535 1850 1 8 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.712 -0.557 19535 1851 1 8 . 1 1 17 17 ASN H H 17 8.567 8.567 7.955 0.612 19535 1852 1 8 . 1 1 18 18 ASP N N 18 121.570 121.570 122.552 -0.982 19535 1853 1 8 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.801 0.281 19535 1854 1 8 . 1 1 18 18 ASP C C 18 175.565 175.565 174.675 0.890 19535 1855 1 8 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.736 -0.399 19535 1856 1 8 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.777 -1.742 19535 1857 1 8 . 1 1 18 18 ASP H H 18 8.623 8.623 8.500 0.123 19535 1858 1 8 . 1 1 19 19 CYS N N 19 119.788 119.788 120.554 -0.766 19535 1859 1 8 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.709 0.163 19535 1860 1 8 . 1 1 19 19 CYS C C 19 174.188 174.188 175.640 -1.452 19535 1861 1 8 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.453 -3.327 19535 1862 1 8 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.081 7.088 19535 1863 1 8 . 1 1 19 19 CYS H H 19 8.370 8.370 8.778 -0.408 19535 1864 1 8 . 1 1 20 20 CYS N N 20 123.247 123.247 124.195 -0.948 19535 1865 1 8 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.297 0.311 19535 1866 1 8 . 1 1 20 20 CYS C C 20 175.514 175.514 174.744 0.770 19535 1867 1 8 . 1 1 20 20 CYS CA C 20 57.344 57.344 61.309 -3.966 19535 1868 1 8 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.523 11.688 19535 1869 1 8 . 1 1 20 20 CYS H H 20 9.556 9.556 8.773 0.783 19535 1870 1 8 . 1 1 21 21 GLY N N 21 109.083 109.083 104.999 4.084 19535 1871 1 8 . 1 1 21 21 GLY C C 21 171.945 171.945 173.114 -1.169 19535 1872 1 8 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.483 1.634 19535 1873 1 8 . 1 1 21 21 GLY H H 21 8.968 8.968 7.861 1.107 19535 1874 1 8 . 1 1 22 22 SER N N 22 121.727 121.727 114.572 7.155 19535 1875 1 8 . 1 1 22 22 SER HA H 22 4.798 4.798 4.681 0.117 19535 1876 1 8 . 1 1 22 22 SER C C 22 170.670 170.670 174.562 -3.892 19535 1877 1 8 . 1 1 22 22 SER CA C 22 57.668 57.668 57.833 -0.165 19535 1878 1 8 . 1 1 22 22 SER CB C 22 66.662 66.662 64.941 1.721 19535 1879 1 8 . 1 1 22 22 SER H H 22 9.116 9.116 8.194 0.922 19535 1880 1 8 . 1 1 23 23 CYS N N 23 123.558 123.558 123.001 0.557 19535 1881 1 8 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.739 0.207 19535 1882 1 8 . 1 1 23 23 CYS C C 23 171.894 171.894 175.543 -3.649 19535 1883 1 8 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.482 -3.617 19535 1884 1 8 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.680 12.534 19535 1885 1 8 . 1 1 23 23 CYS H H 23 8.848 8.848 8.815 0.033 19535 1886 1 8 . 1 1 24 24 LEU N N 24 131.578 131.578 127.848 3.730 19535 1887 1 8 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.641 0.105 19535 1888 1 8 . 1 1 24 24 LEU C C 24 175.871 175.871 175.964 -0.093 19535 1889 1 8 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.826 0.775 19535 1890 1 8 . 1 1 24 24 LEU CB C 24 43.222 43.222 43.964 -0.742 19535 1891 1 8 . 1 1 24 24 LEU H H 24 8.582 8.582 8.537 0.045 19535 1892 1 8 . 1 1 25 25 CYS N N 25 122.657 122.657 125.011 -2.354 19535 1893 1 8 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.592 0.740 19535 1894 1 8 . 1 1 25 25 CYS C C 25 173.806 173.806 175.327 -1.521 19535 1895 1 8 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.301 -3.734 19535 1896 1 8 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.401 18.894 19535 1897 1 8 . 1 1 25 25 CYS H H 25 8.832 8.832 8.893 -0.061 19535 1898 1 8 . 1 1 26 26 SER N N 26 117.664 117.664 119.920 -2.256 19535 1899 1 8 . 1 1 26 26 SER HA H 26 4.648 4.648 4.444 0.204 19535 1900 1 8 . 1 1 26 26 SER C C 26 173.194 173.194 174.060 -0.866 19535 1901 1 8 . 1 1 26 26 SER CA C 26 58.458 58.458 58.707 -0.249 19535 1902 1 8 . 1 1 26 26 SER CB C 26 64.218 64.218 64.203 0.015 19535 1903 1 8 . 1 1 26 26 SER H H 26 8.550 8.550 8.352 0.198 19535 1904 1 8 . 1 1 27 27 ASN N N 27 120.609 120.609 126.312 -5.703 19535 1905 1 8 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.895 0.059 19535 1906 1 8 . 1 1 27 27 ASN C C 27 174.341 174.341 175.726 -1.385 19535 1907 1 8 . 1 1 27 27 ASN CA C 27 53.498 53.498 51.890 1.608 19535 1908 1 8 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.112 0.289 19535 1909 1 8 . 1 1 27 27 ASN H H 27 8.663 8.663 8.597 0.066 19535 1910 1 8 . 1 1 28 28 GLY N N 28 109.128 109.128 109.244 -0.116 19535 1911 1 8 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.357 0.936 19535 1912 1 8 . 1 1 28 28 GLY H H 28 8.232 8.232 7.643 0.589 19535 1913 1 8 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.391 0.182 19535 1914 1 8 . 1 1 29 29 PRO C C 29 176.100 176.100 176.125 -0.025 19535 1915 1 8 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.170 0.276 19535 1916 1 8 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.337 -0.196 19535 1917 1 8 . 1 1 30 30 ILE N N 30 120.101 120.101 121.716 -1.615 19535 1918 1 8 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.313 -0.055 19535 1919 1 8 . 1 1 30 30 ILE C C 30 174.928 174.928 175.790 -0.862 19535 1920 1 8 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.801 0.363 19535 1921 1 8 . 1 1 30 30 ILE CB C 30 39.008 39.008 39.144 -0.136 19535 1922 1 8 . 1 1 30 30 ILE H H 30 8.059 8.059 8.256 -0.197 19535 1923 1 8 . 1 1 31 31 ALA N N 31 127.003 127.003 130.529 -3.526 19535 1924 1 8 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.378 0.054 19535 1925 1 8 . 1 1 31 31 ALA C C 31 176.355 176.355 177.517 -1.162 19535 1926 1 8 . 1 1 31 31 ALA CA C 31 52.896 52.896 53.071 -0.175 19535 1927 1 8 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.735 -0.270 19535 1928 1 8 . 1 1 31 31 ALA H H 31 8.303 8.303 8.696 -0.393 19535 1929 1 8 . 1 1 32 32 ARG N N 32 118.980 118.980 118.407 0.573 19535 1930 1 8 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.868 -0.389 19535 1931 1 8 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.041 0.552 19535 1932 1 8 . 1 1 32 32 ARG CB C 32 30.351 30.351 29.656 0.695 19535 1933 1 8 . 1 1 32 32 ARG H H 32 7.910 7.910 8.057 -0.147 19535 1934 1 8 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.722 -0.333 19535 1935 1 8 . 1 1 33 33 PRO C C 33 175.947 175.947 176.552 -0.605 19535 1936 1 8 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.071 0.488 19535 1937 1 8 . 1 1 33 33 PRO CB C 33 31.935 31.935 32.045 -0.110 19535 1938 1 8 . 1 1 34 34 TRP N N 34 116.547 116.547 118.193 -1.646 19535 1939 1 8 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.716 0.054 19535 1940 1 8 . 1 1 34 34 TRP C C 34 175.488 175.488 177.465 -1.977 19535 1941 1 8 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.733 -0.846 19535 1942 1 8 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.510 -0.922 19535 1943 1 8 . 1 1 34 34 TRP H H 34 7.479 7.479 8.293 -0.814 19535 1944 1 8 . 1 1 35 35 GLU N N 35 120.618 120.618 117.688 2.930 19535 1945 1 8 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.509 -0.127 19535 1946 1 8 . 1 1 35 35 GLU C C 35 174.902 174.902 176.802 -1.900 19535 1947 1 8 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.174 -0.607 19535 1948 1 8 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.036 -1.716 19535 1949 1 8 . 1 1 35 35 GLU H H 35 7.817 7.817 7.784 0.033 19535 1950 1 8 . 1 1 36 36 MET N N 36 119.553 119.553 119.924 -0.371 19535 1951 1 8 . 1 1 36 36 MET HA H 36 4.535 4.535 4.730 -0.195 19535 1952 1 8 . 1 1 36 36 MET C C 36 175.182 175.182 174.774 0.408 19535 1953 1 8 . 1 1 36 36 MET CA C 36 56.026 56.026 54.446 1.580 19535 1954 1 8 . 1 1 36 36 MET CB C 36 33.032 33.032 33.543 -0.511 19535 1955 1 8 . 1 1 36 36 MET H H 36 8.132 8.132 8.443 -0.311 19535 1956 1 8 . 1 1 37 37 MET N N 37 120.609 120.609 124.544 -3.935 19535 1957 1 8 . 1 1 37 37 MET HA H 37 4.629 4.629 4.551 0.078 19535 1958 1 8 . 1 1 37 37 MET C C 37 175.081 175.081 176.011 -0.930 19535 1959 1 8 . 1 1 37 37 MET CA C 37 56.043 56.043 55.473 0.570 19535 1960 1 8 . 1 1 37 37 MET CB C 37 33.041 33.041 32.549 0.492 19535 1961 1 8 . 1 1 37 37 MET H H 37 8.289 8.289 8.865 -0.576 19535 1962 1 8 . 1 1 38 38 VAL N N 38 119.594 119.594 126.171 -6.577 19535 1963 1 8 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.085 0.253 19535 1964 1 8 . 1 1 38 38 VAL C C 38 175.335 175.335 174.524 0.811 19535 1965 1 8 . 1 1 38 38 VAL CA C 38 62.647 62.647 62.141 0.506 19535 1966 1 8 . 1 1 38 38 VAL CB C 38 32.887 32.887 30.181 2.706 19535 1967 1 8 . 1 1 38 38 VAL H H 38 8.054 8.054 8.724 -0.670 19535 1968 1 8 . 1 1 39 39 GLY N N 39 111.351 111.351 110.969 0.382 19535 1969 1 8 . 1 1 39 39 GLY C C 39 172.429 172.429 173.674 -1.245 19535 1970 1 8 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.851 0.622 19535 1971 1 8 . 1 1 39 39 GLY H H 39 8.329 8.329 7.513 0.816 19535 1972 1 8 . 1 1 40 40 ASN N N 40 118.075 118.075 118.559 -0.484 19535 1973 1 8 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.958 -0.013 19535 1974 1 8 . 1 1 40 40 ASN C C 40 173.984 173.984 173.927 0.057 19535 1975 1 8 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.394 1.360 19535 1976 1 8 . 1 1 40 40 ASN CB C 40 39.972 39.972 40.710 -0.738 19535 1977 1 8 . 1 1 40 40 ASN H H 40 8.359 8.359 7.786 0.573 19535 1978 1 8 . 1 1 41 41 CYS N N 41 120.609 120.609 119.787 0.822 19535 1979 1 8 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.715 0.823 19535 1980 1 8 . 1 1 41 41 CYS C C 41 172.689 172.689 173.848 -1.159 19535 1981 1 8 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.285 -1.968 19535 1982 1 8 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.359 20.050 19535 1983 1 8 . 1 1 41 41 CYS H H 41 8.653 8.653 8.653 -0.000 19535 1984 1 8 . 1 1 42 42 MET N N 42 120.998 120.998 120.921 0.077 19535 1985 1 8 . 1 1 42 42 MET HA H 42 5.164 5.164 4.891 0.273 19535 1986 1 8 . 1 1 42 42 MET C C 42 175.208 175.208 175.241 -0.033 19535 1987 1 8 . 1 1 42 42 MET CA C 42 54.853 54.853 54.298 0.555 19535 1988 1 8 . 1 1 42 42 MET CB C 42 37.960 37.960 37.913 0.047 19535 1989 1 8 . 1 1 42 42 MET H H 42 8.967 8.967 8.367 0.600 19535 1990 1 8 . 1 1 43 43 CYS N N 43 122.297 122.297 118.287 4.010 19535 1991 1 8 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.462 1.043 19535 1992 1 8 . 1 1 43 43 CYS C C 43 175.820 175.820 174.935 0.885 19535 1993 1 8 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.008 -6.514 19535 1994 1 8 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.713 8.994 19535 1995 1 8 . 1 1 43 43 CYS H H 43 9.478 9.478 8.203 1.275 19535 1996 1 8 . 1 1 44 44 GLY N N 44 114.932 114.932 108.843 6.089 19535 1997 1 8 . 1 1 44 44 GLY CA C 44 45.625 45.625 44.290 1.335 19535 1998 1 8 . 1 1 44 44 GLY H H 44 9.712 9.712 7.915 1.797 19535 1999 1 8 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.561 0.055 19535 2000 1 8 . 1 1 45 45 PRO C C 45 175.386 175.386 176.169 -0.783 19535 2001 1 8 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.809 0.131 19535 2002 1 8 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.616 -0.391 19535 2003 1 8 . 1 1 46 46 LYS N N 46 121.021 121.021 122.333 -1.312 19535 2004 1 8 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.353 -0.075 19535 2005 1 8 . 1 1 46 46 LYS C C 46 174.902 174.902 176.205 -1.303 19535 2006 1 8 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.125 0.682 19535 2007 1 8 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.632 0.901 19535 2008 1 8 . 1 1 46 46 LYS H H 46 8.421 8.421 8.213 0.208 19535 2009 1 9 . 1 1 2 2 LYS N N 2 122.024 122.024 123.494 -1.470 19535 2010 1 9 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.434 0.095 19535 2011 1 9 . 1 1 2 2 LYS C C 2 175.284 175.284 175.268 0.016 19535 2012 1 9 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.261 0.497 19535 2013 1 9 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.577 -0.223 19535 2014 1 9 . 1 1 2 2 LYS H H 2 8.776 8.776 8.401 0.375 19535 2015 1 9 . 1 1 3 3 GLU N N 3 122.436 122.436 123.117 -0.681 19535 2016 1 9 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.657 -0.053 19535 2017 1 9 . 1 1 3 3 GLU C C 3 174.367 174.367 175.500 -1.133 19535 2018 1 9 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.886 0.035 19535 2019 1 9 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.993 0.316 19535 2020 1 9 . 1 1 3 3 GLU H H 3 8.583 8.583 8.585 -0.002 19535 2021 1 9 . 1 1 4 4 CYS N N 4 117.664 117.664 118.137 -0.473 19535 2022 1 9 . 1 1 4 4 CYS HA H 4 4.986 4.986 5.299 -0.313 19535 2023 1 9 . 1 1 4 4 CYS C C 4 172.658 172.658 173.696 -1.038 19535 2024 1 9 . 1 1 4 4 CYS CA C 4 54.150 54.150 55.962 -1.812 19535 2025 1 9 . 1 1 4 4 CYS CB C 4 42.390 42.390 30.531 11.859 19535 2026 1 9 . 1 1 4 4 CYS H H 4 8.165 8.165 8.237 -0.072 19535 2027 1 9 . 1 1 5 5 MET N N 5 118.071 118.071 120.324 -2.253 19535 2028 1 9 . 1 1 5 5 MET HA H 5 4.863 4.863 4.858 0.005 19535 2029 1 9 . 1 1 5 5 MET C C 5 175.055 175.055 175.887 -0.832 19535 2030 1 9 . 1 1 5 5 MET CA C 5 55.789 55.789 54.328 1.461 19535 2031 1 9 . 1 1 5 5 MET CB C 5 34.599 34.599 34.857 -0.258 19535 2032 1 9 . 1 1 5 5 MET H H 5 9.075 9.075 8.739 0.336 19535 2033 1 9 . 1 1 6 6 THR N N 6 116.953 116.953 113.056 3.897 19535 2034 1 9 . 1 1 6 6 THR HA H 6 4.224 4.224 4.539 -0.315 19535 2035 1 9 . 1 1 6 6 THR C C 6 174.188 174.188 174.012 0.176 19535 2036 1 9 . 1 1 6 6 THR CA C 6 61.777 61.777 60.705 1.072 19535 2037 1 9 . 1 1 6 6 THR CB C 6 70.305 70.305 70.186 0.119 19535 2038 1 9 . 1 1 6 6 THR H H 6 8.492 8.492 8.481 0.011 19535 2039 1 9 . 1 1 7 7 ASP N N 7 123.270 123.270 117.417 5.853 19535 2040 1 9 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.249 -0.153 19535 2041 1 9 . 1 1 7 7 ASP C C 7 175.284 175.284 176.977 -1.693 19535 2042 1 9 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.408 1.416 19535 2043 1 9 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.634 -1.423 19535 2044 1 9 . 1 1 7 7 ASP H H 7 8.643 8.643 8.266 0.377 19535 2045 1 9 . 1 1 8 8 GLY N N 8 111.423 111.423 109.917 1.506 19535 2046 1 9 . 1 1 8 8 GLY C C 8 173.117 173.117 174.700 -1.583 19535 2047 1 9 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.010 0.090 19535 2048 1 9 . 1 1 8 8 GLY H H 8 9.329 9.329 8.375 0.954 19535 2049 1 9 . 1 1 9 9 THR N N 9 116.646 116.646 119.773 -3.127 19535 2050 1 9 . 1 1 9 9 THR HA H 9 4.320 4.320 4.443 -0.123 19535 2051 1 9 . 1 1 9 9 THR C C 9 172.913 172.913 174.481 -1.568 19535 2052 1 9 . 1 1 9 9 THR CA C 9 63.312 63.312 62.517 0.795 19535 2053 1 9 . 1 1 9 9 THR CB C 9 70.010 70.010 69.413 0.597 19535 2054 1 9 . 1 1 9 9 THR H H 9 7.695 7.695 7.506 0.189 19535 2055 1 9 . 1 1 10 10 VAL N N 10 127.413 127.413 126.977 0.436 19535 2056 1 9 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.661 0.563 19535 2057 1 9 . 1 1 10 10 VAL C C 10 173.194 173.194 176.047 -2.853 19535 2058 1 9 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.530 -0.071 19535 2059 1 9 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.459 0.566 19535 2060 1 9 . 1 1 10 10 VAL H H 10 8.605 8.605 8.604 0.001 19535 2061 1 9 . 1 1 11 11 CYS N N 11 120.712 120.712 124.599 -3.887 19535 2062 1 9 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.841 0.143 19535 2063 1 9 . 1 1 11 11 CYS C C 11 169.701 169.701 172.406 -2.705 19535 2064 1 9 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.222 -2.434 19535 2065 1 9 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.210 18.958 19535 2066 1 9 . 1 1 11 11 CYS H H 11 7.743 7.743 8.041 -0.298 19535 2067 1 9 . 1 1 12 12 TYR N N 12 117.867 117.867 118.578 -0.711 19535 2068 1 9 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.810 0.157 19535 2069 1 9 . 1 1 12 12 TYR C C 12 175.577 175.577 176.989 -1.412 19535 2070 1 9 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.074 -0.336 19535 2071 1 9 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.295 -1.821 19535 2072 1 9 . 1 1 12 12 TYR H H 12 8.324 8.324 8.413 -0.089 19535 2073 1 9 . 1 1 13 13 ILE N N 13 122.840 122.840 123.220 -0.380 19535 2074 1 9 . 1 1 13 13 ILE HA H 13 4.075 4.075 4.008 0.067 19535 2075 1 9 . 1 1 13 13 ILE C C 13 175.629 175.629 176.485 -0.856 19535 2076 1 9 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.909 -0.067 19535 2077 1 9 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.604 0.568 19535 2078 1 9 . 1 1 13 13 ILE H H 13 8.502 8.502 8.861 -0.359 19535 2079 1 9 . 1 1 14 14 HIS N N 14 117.156 117.156 118.488 -1.332 19535 2080 1 9 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.758 0.140 19535 2081 1 9 . 1 1 14 14 HIS C C 14 173.219 173.219 174.770 -1.551 19535 2082 1 9 . 1 1 14 14 HIS CA C 14 55.863 55.863 56.040 -0.177 19535 2083 1 9 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.325 -0.977 19535 2084 1 9 . 1 1 14 14 HIS H H 14 8.437 8.437 8.267 0.170 19535 2085 1 9 . 1 1 15 15 ASN N N 15 117.243 117.243 118.378 -1.135 19535 2086 1 9 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.687 0.250 19535 2087 1 9 . 1 1 15 15 ASN C C 15 174.010 174.010 174.805 -0.795 19535 2088 1 9 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.182 -0.059 19535 2089 1 9 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.745 0.001 19535 2090 1 9 . 1 1 15 15 ASN H H 15 7.934 7.934 7.807 0.127 19535 2091 1 9 . 1 1 16 16 HIS N N 16 118.072 118.072 117.302 0.770 19535 2092 1 9 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.287 0.348 19535 2093 1 9 . 1 1 16 16 HIS C C 16 173.449 173.449 173.725 -0.276 19535 2094 1 9 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.201 -0.561 19535 2095 1 9 . 1 1 16 16 HIS CB C 16 28.451 28.451 28.218 0.234 19535 2096 1 9 . 1 1 16 16 HIS H H 16 8.402 8.402 8.440 -0.038 19535 2097 1 9 . 1 1 17 17 ASN N N 17 120.144 120.144 117.892 2.252 19535 2098 1 9 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.734 0.181 19535 2099 1 9 . 1 1 17 17 ASN C C 17 173.857 173.857 174.802 -0.945 19535 2100 1 9 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.420 0.097 19535 2101 1 9 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.611 -0.456 19535 2102 1 9 . 1 1 17 17 ASN H H 17 8.567 8.567 7.958 0.609 19535 2103 1 9 . 1 1 18 18 ASP N N 18 121.570 121.570 123.620 -2.050 19535 2104 1 9 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.778 0.304 19535 2105 1 9 . 1 1 18 18 ASP C C 18 175.565 175.565 174.922 0.643 19535 2106 1 9 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.610 -0.273 19535 2107 1 9 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.754 -1.719 19535 2108 1 9 . 1 1 18 18 ASP H H 18 8.623 8.623 8.407 0.216 19535 2109 1 9 . 1 1 19 19 CYS N N 19 119.788 119.788 120.696 -0.908 19535 2110 1 9 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.722 0.150 19535 2111 1 9 . 1 1 19 19 CYS C C 19 174.188 174.188 175.570 -1.382 19535 2112 1 9 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.677 -3.551 19535 2113 1 9 . 1 1 19 19 CYS CB C 19 36.169 36.169 28.784 7.385 19535 2114 1 9 . 1 1 19 19 CYS H H 19 8.370 8.370 8.628 -0.258 19535 2115 1 9 . 1 1 20 20 CYS N N 20 123.247 123.247 124.339 -1.092 19535 2116 1 9 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.319 0.289 19535 2117 1 9 . 1 1 20 20 CYS C C 20 175.514 175.514 175.315 0.199 19535 2118 1 9 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.653 -3.309 19535 2119 1 9 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.314 11.896 19535 2120 1 9 . 1 1 20 20 CYS H H 20 9.556 9.556 8.901 0.655 19535 2121 1 9 . 1 1 21 21 GLY N N 21 109.083 109.083 106.306 2.777 19535 2122 1 9 . 1 1 21 21 GLY C C 21 171.945 171.945 172.951 -1.006 19535 2123 1 9 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.602 1.515 19535 2124 1 9 . 1 1 21 21 GLY H H 21 8.968 8.968 7.875 1.093 19535 2125 1 9 . 1 1 22 22 SER N N 22 121.727 121.727 114.446 7.281 19535 2126 1 9 . 1 1 22 22 SER HA H 22 4.798 4.798 4.666 0.132 19535 2127 1 9 . 1 1 22 22 SER C C 22 170.670 170.670 174.559 -3.889 19535 2128 1 9 . 1 1 22 22 SER CA C 22 57.668 57.668 57.283 0.385 19535 2129 1 9 . 1 1 22 22 SER CB C 22 66.662 66.662 64.829 1.833 19535 2130 1 9 . 1 1 22 22 SER H H 22 9.116 9.116 8.131 0.985 19535 2131 1 9 . 1 1 23 23 CYS N N 23 123.558 123.558 123.388 0.170 19535 2132 1 9 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.713 0.233 19535 2133 1 9 . 1 1 23 23 CYS C C 23 171.894 171.894 175.449 -3.555 19535 2134 1 9 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.471 -3.606 19535 2135 1 9 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.677 12.537 19535 2136 1 9 . 1 1 23 23 CYS H H 23 8.848 8.848 8.814 0.034 19535 2137 1 9 . 1 1 24 24 LEU N N 24 131.578 131.578 127.816 3.762 19535 2138 1 9 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.643 0.103 19535 2139 1 9 . 1 1 24 24 LEU C C 24 175.871 175.871 175.954 -0.083 19535 2140 1 9 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.818 0.783 19535 2141 1 9 . 1 1 24 24 LEU CB C 24 43.222 43.222 43.936 -0.714 19535 2142 1 9 . 1 1 24 24 LEU H H 24 8.582 8.582 8.543 0.039 19535 2143 1 9 . 1 1 25 25 CYS N N 25 122.657 122.657 124.341 -1.684 19535 2144 1 9 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.592 0.740 19535 2145 1 9 . 1 1 25 25 CYS C C 25 173.806 173.806 175.521 -1.715 19535 2146 1 9 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.170 -3.603 19535 2147 1 9 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.291 19.004 19535 2148 1 9 . 1 1 25 25 CYS H H 25 8.832 8.832 8.970 -0.138 19535 2149 1 9 . 1 1 26 26 SER N N 26 117.664 117.664 120.156 -2.492 19535 2150 1 9 . 1 1 26 26 SER HA H 26 4.648 4.648 4.501 0.147 19535 2151 1 9 . 1 1 26 26 SER C C 26 173.194 173.194 174.709 -1.515 19535 2152 1 9 . 1 1 26 26 SER CA C 26 58.458 58.458 58.374 0.084 19535 2153 1 9 . 1 1 26 26 SER CB C 26 64.218 64.218 64.267 -0.049 19535 2154 1 9 . 1 1 26 26 SER H H 26 8.550 8.550 8.475 0.075 19535 2155 1 9 . 1 1 27 27 ASN N N 27 120.609 120.609 123.188 -2.579 19535 2156 1 9 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.971 -0.017 19535 2157 1 9 . 1 1 27 27 ASN C C 27 174.341 174.341 176.101 -1.760 19535 2158 1 9 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.308 1.190 19535 2159 1 9 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.025 0.376 19535 2160 1 9 . 1 1 27 27 ASN H H 27 8.663 8.663 8.657 0.006 19535 2161 1 9 . 1 1 28 28 GLY N N 28 109.128 109.128 109.717 -0.589 19535 2162 1 9 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.356 0.937 19535 2163 1 9 . 1 1 28 28 GLY H H 28 8.232 8.232 7.738 0.494 19535 2164 1 9 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.405 0.168 19535 2165 1 9 . 1 1 29 29 PRO C C 29 176.100 176.100 176.152 -0.052 19535 2166 1 9 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.100 0.346 19535 2167 1 9 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.234 -0.093 19535 2168 1 9 . 1 1 30 30 ILE N N 30 120.101 120.101 116.992 3.109 19535 2169 1 9 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.529 -0.271 19535 2170 1 9 . 1 1 30 30 ILE C C 30 174.928 174.928 175.207 -0.279 19535 2171 1 9 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.375 0.789 19535 2172 1 9 . 1 1 30 30 ILE CB C 30 39.008 39.008 39.138 -0.130 19535 2173 1 9 . 1 1 30 30 ILE H H 30 8.059 8.059 8.007 0.052 19535 2174 1 9 . 1 1 31 31 ALA N N 31 127.003 127.003 130.381 -3.378 19535 2175 1 9 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.524 -0.092 19535 2176 1 9 . 1 1 31 31 ALA C C 31 176.355 176.355 177.877 -1.522 19535 2177 1 9 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.779 0.117 19535 2178 1 9 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.839 -0.374 19535 2179 1 9 . 1 1 31 31 ALA H H 31 8.303 8.303 8.854 -0.551 19535 2180 1 9 . 1 1 32 32 ARG N N 32 118.980 118.980 119.606 -0.626 19535 2181 1 9 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.922 -0.443 19535 2182 1 9 . 1 1 32 32 ARG CA C 32 53.593 53.593 52.798 0.795 19535 2183 1 9 . 1 1 32 32 ARG CB C 32 30.351 30.351 29.767 0.584 19535 2184 1 9 . 1 1 32 32 ARG H H 32 7.910 7.910 8.232 -0.322 19535 2185 1 9 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.680 -0.291 19535 2186 1 9 . 1 1 33 33 PRO C C 33 175.947 175.947 176.135 -0.188 19535 2187 1 9 . 1 1 33 33 PRO CA C 33 64.559 64.559 63.959 0.600 19535 2188 1 9 . 1 1 33 33 PRO CB C 33 31.935 31.935 32.084 -0.148 19535 2189 1 9 . 1 1 34 34 TRP N N 34 116.547 116.547 117.254 -0.707 19535 2190 1 9 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.611 0.159 19535 2191 1 9 . 1 1 34 34 TRP C C 34 175.488 175.488 177.326 -1.838 19535 2192 1 9 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.708 -0.821 19535 2193 1 9 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.278 -0.690 19535 2194 1 9 . 1 1 34 34 TRP H H 34 7.479 7.479 8.171 -0.692 19535 2195 1 9 . 1 1 35 35 GLU N N 35 120.618 120.618 116.408 4.210 19535 2196 1 9 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.530 -0.148 19535 2197 1 9 . 1 1 35 35 GLU C C 35 174.902 174.902 177.023 -2.121 19535 2198 1 9 . 1 1 35 35 GLU CA C 35 56.567 56.567 56.820 -0.253 19535 2199 1 9 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.600 -2.280 19535 2200 1 9 . 1 1 35 35 GLU H H 35 7.817 7.817 7.936 -0.119 19535 2201 1 9 . 1 1 36 36 MET N N 36 119.553 119.553 118.480 1.073 19535 2202 1 9 . 1 1 36 36 MET HA H 36 4.535 4.535 4.781 -0.246 19535 2203 1 9 . 1 1 36 36 MET C C 36 175.182 175.182 174.865 0.317 19535 2204 1 9 . 1 1 36 36 MET CA C 36 56.026 56.026 54.537 1.489 19535 2205 1 9 . 1 1 36 36 MET CB C 36 33.032 33.032 33.655 -0.623 19535 2206 1 9 . 1 1 36 36 MET H H 36 8.132 8.132 8.301 -0.169 19535 2207 1 9 . 1 1 37 37 MET N N 37 120.609 120.609 124.333 -3.724 19535 2208 1 9 . 1 1 37 37 MET HA H 37 4.629 4.629 4.564 0.065 19535 2209 1 9 . 1 1 37 37 MET C C 37 175.081 175.081 174.864 0.217 19535 2210 1 9 . 1 1 37 37 MET CA C 37 56.043 56.043 54.705 1.339 19535 2211 1 9 . 1 1 37 37 MET CB C 37 33.041 33.041 32.465 0.576 19535 2212 1 9 . 1 1 37 37 MET H H 37 8.289 8.289 8.564 -0.275 19535 2213 1 9 . 1 1 38 38 VAL N N 38 119.594 119.594 126.971 -7.377 19535 2214 1 9 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.093 0.245 19535 2215 1 9 . 1 1 38 38 VAL C C 38 175.335 175.335 175.752 -0.417 19535 2216 1 9 . 1 1 38 38 VAL CA C 38 62.647 62.647 61.511 1.136 19535 2217 1 9 . 1 1 38 38 VAL CB C 38 32.887 32.887 30.453 2.434 19535 2218 1 9 . 1 1 38 38 VAL H H 38 8.054 8.054 8.349 -0.295 19535 2219 1 9 . 1 1 39 39 GLY N N 39 111.351 111.351 114.623 -3.272 19535 2220 1 9 . 1 1 39 39 GLY C C 39 172.429 172.429 173.339 -0.910 19535 2221 1 9 . 1 1 39 39 GLY CA C 39 45.473 45.473 45.139 0.334 19535 2222 1 9 . 1 1 39 39 GLY H H 39 8.329 8.329 8.234 0.095 19535 2223 1 9 . 1 1 40 40 ASN N N 40 118.075 118.075 118.509 -0.434 19535 2224 1 9 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.903 0.042 19535 2225 1 9 . 1 1 40 40 ASN C C 40 173.984 173.984 173.591 0.393 19535 2226 1 9 . 1 1 40 40 ASN CA C 40 53.754 53.754 51.868 1.886 19535 2227 1 9 . 1 1 40 40 ASN CB C 40 39.972 39.972 40.416 -0.445 19535 2228 1 9 . 1 1 40 40 ASN H H 40 8.359 8.359 7.898 0.461 19535 2229 1 9 . 1 1 41 41 CYS N N 41 120.609 120.609 119.382 1.227 19535 2230 1 9 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.782 0.756 19535 2231 1 9 . 1 1 41 41 CYS C C 41 172.689 172.689 173.886 -1.197 19535 2232 1 9 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.326 -2.009 19535 2233 1 9 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.537 19.872 19535 2234 1 9 . 1 1 41 41 CYS H H 41 8.653 8.653 8.650 0.003 19535 2235 1 9 . 1 1 42 42 MET N N 42 120.998 120.998 120.750 0.248 19535 2236 1 9 . 1 1 42 42 MET HA H 42 5.164 5.164 4.865 0.299 19535 2237 1 9 . 1 1 42 42 MET C C 42 175.208 175.208 175.249 -0.041 19535 2238 1 9 . 1 1 42 42 MET CA C 42 54.853 54.853 54.298 0.555 19535 2239 1 9 . 1 1 42 42 MET CB C 42 37.960 37.960 37.839 0.121 19535 2240 1 9 . 1 1 42 42 MET H H 42 8.967 8.967 8.374 0.593 19535 2241 1 9 . 1 1 43 43 CYS N N 43 122.297 122.297 118.291 4.006 19535 2242 1 9 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.436 1.069 19535 2243 1 9 . 1 1 43 43 CYS C C 43 175.820 175.820 174.882 0.938 19535 2244 1 9 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.053 -6.559 19535 2245 1 9 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.679 9.028 19535 2246 1 9 . 1 1 43 43 CYS H H 43 9.478 9.478 8.173 1.305 19535 2247 1 9 . 1 1 44 44 GLY N N 44 114.932 114.932 108.769 6.163 19535 2248 1 9 . 1 1 44 44 GLY CA C 44 45.625 45.625 44.257 1.368 19535 2249 1 9 . 1 1 44 44 GLY H H 44 9.712 9.712 7.885 1.827 19535 2250 1 9 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.531 0.085 19535 2251 1 9 . 1 1 45 45 PRO C C 45 175.386 175.386 176.247 -0.861 19535 2252 1 9 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.788 0.152 19535 2253 1 9 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.500 -0.275 19535 2254 1 9 . 1 1 46 46 LYS N N 46 121.021 121.021 121.969 -0.948 19535 2255 1 9 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.358 -0.080 19535 2256 1 9 . 1 1 46 46 LYS C C 46 174.902 174.902 175.579 -0.677 19535 2257 1 9 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.481 0.326 19535 2258 1 9 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.644 0.889 19535 2259 1 9 . 1 1 46 46 LYS H H 46 8.421 8.421 8.325 0.096 19535 2260 1 10 . 1 1 2 2 LYS N N 2 122.024 122.024 124.082 -2.058 19535 2261 1 10 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.453 0.076 19535 2262 1 10 . 1 1 2 2 LYS C C 2 175.284 175.284 174.800 0.484 19535 2263 1 10 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.021 0.737 19535 2264 1 10 . 1 1 2 2 LYS CB C 2 33.354 33.354 34.274 -0.920 19535 2265 1 10 . 1 1 2 2 LYS H H 2 8.776 8.776 8.510 0.266 19535 2266 1 10 . 1 1 3 3 GLU N N 3 122.436 122.436 122.234 0.202 19535 2267 1 10 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.708 -0.104 19535 2268 1 10 . 1 1 3 3 GLU C C 3 174.367 174.367 176.351 -1.984 19535 2269 1 10 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.660 0.261 19535 2270 1 10 . 1 1 3 3 GLU CB C 3 29.309 29.309 29.497 -0.188 19535 2271 1 10 . 1 1 3 3 GLU H H 3 8.583 8.583 8.627 -0.044 19535 2272 1 10 . 1 1 4 4 CYS N N 4 117.664 117.664 121.218 -3.554 19535 2273 1 10 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.514 0.472 19535 2274 1 10 . 1 1 4 4 CYS C C 4 172.658 172.658 174.874 -2.216 19535 2275 1 10 . 1 1 4 4 CYS CA C 4 54.150 54.150 58.085 -3.935 19535 2276 1 10 . 1 1 4 4 CYS CB C 4 42.390 42.390 28.769 13.621 19535 2277 1 10 . 1 1 4 4 CYS H H 4 8.165 8.165 8.900 -0.735 19535 2278 1 10 . 1 1 5 5 MET N N 5 118.071 118.071 119.941 -1.870 19535 2279 1 10 . 1 1 5 5 MET HA H 5 4.863 4.863 4.828 0.035 19535 2280 1 10 . 1 1 5 5 MET C C 5 175.055 175.055 176.101 -1.046 19535 2281 1 10 . 1 1 5 5 MET CA C 5 55.789 55.789 54.477 1.312 19535 2282 1 10 . 1 1 5 5 MET CB C 5 34.599 34.599 35.012 -0.413 19535 2283 1 10 . 1 1 5 5 MET H H 5 9.075 9.075 8.629 0.446 19535 2284 1 10 . 1 1 6 6 THR N N 6 116.953 116.953 113.336 3.617 19535 2285 1 10 . 1 1 6 6 THR HA H 6 4.224 4.224 4.472 -0.248 19535 2286 1 10 . 1 1 6 6 THR C C 6 174.188 174.188 174.036 0.152 19535 2287 1 10 . 1 1 6 6 THR CA C 6 61.777 61.777 60.440 1.337 19535 2288 1 10 . 1 1 6 6 THR CB C 6 70.305 70.305 69.810 0.495 19535 2289 1 10 . 1 1 6 6 THR H H 6 8.492 8.492 8.445 0.047 19535 2290 1 10 . 1 1 7 7 ASP N N 7 123.270 123.270 117.758 5.512 19535 2291 1 10 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.223 -0.127 19535 2292 1 10 . 1 1 7 7 ASP C C 7 175.284 175.284 177.041 -1.757 19535 2293 1 10 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.240 1.584 19535 2294 1 10 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.857 -1.646 19535 2295 1 10 . 1 1 7 7 ASP H H 7 8.643 8.643 8.352 0.291 19535 2296 1 10 . 1 1 8 8 GLY N N 8 111.423 111.423 110.544 0.879 19535 2297 1 10 . 1 1 8 8 GLY C C 8 173.117 173.117 174.494 -1.377 19535 2298 1 10 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.037 0.063 19535 2299 1 10 . 1 1 8 8 GLY H H 8 9.329 9.329 8.406 0.923 19535 2300 1 10 . 1 1 9 9 THR N N 9 116.646 116.646 119.873 -3.227 19535 2301 1 10 . 1 1 9 9 THR HA H 9 4.320 4.320 4.527 -0.207 19535 2302 1 10 . 1 1 9 9 THR C C 9 172.913 172.913 174.524 -1.611 19535 2303 1 10 . 1 1 9 9 THR CA C 9 63.312 63.312 62.259 1.053 19535 2304 1 10 . 1 1 9 9 THR CB C 9 70.010 70.010 69.379 0.631 19535 2305 1 10 . 1 1 9 9 THR H H 9 7.695 7.695 7.458 0.237 19535 2306 1 10 . 1 1 10 10 VAL N N 10 127.413 127.413 127.470 -0.057 19535 2307 1 10 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.725 0.499 19535 2308 1 10 . 1 1 10 10 VAL C C 10 173.194 173.194 176.113 -2.919 19535 2309 1 10 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.083 0.376 19535 2310 1 10 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.318 0.707 19535 2311 1 10 . 1 1 10 10 VAL H H 10 8.605 8.605 8.664 -0.059 19535 2312 1 10 . 1 1 11 11 CYS N N 11 120.712 120.712 124.198 -3.486 19535 2313 1 10 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.894 0.090 19535 2314 1 10 . 1 1 11 11 CYS C C 11 169.701 169.701 173.578 -3.877 19535 2315 1 10 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.539 -2.751 19535 2316 1 10 . 1 1 11 11 CYS CB C 11 49.168 49.168 31.031 18.137 19535 2317 1 10 . 1 1 11 11 CYS H H 11 7.743 7.743 8.278 -0.535 19535 2318 1 10 . 1 1 12 12 TYR N N 12 117.867 117.867 120.351 -2.484 19535 2319 1 10 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.847 0.120 19535 2320 1 10 . 1 1 12 12 TYR C C 12 175.577 175.577 176.821 -1.244 19535 2321 1 10 . 1 1 12 12 TYR CA C 12 56.738 56.738 56.895 -0.157 19535 2322 1 10 . 1 1 12 12 TYR CB C 12 40.474 40.474 41.525 -1.051 19535 2323 1 10 . 1 1 12 12 TYR H H 12 8.324 8.324 8.238 0.086 19535 2324 1 10 . 1 1 13 13 ILE N N 13 122.840 122.840 124.208 -1.368 19535 2325 1 10 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.947 0.128 19535 2326 1 10 . 1 1 13 13 ILE C C 13 175.629 175.629 176.689 -1.060 19535 2327 1 10 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.789 0.053 19535 2328 1 10 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.586 0.586 19535 2329 1 10 . 1 1 13 13 ILE H H 13 8.502 8.502 8.781 -0.279 19535 2330 1 10 . 1 1 14 14 HIS N N 14 117.156 117.156 118.238 -1.082 19535 2331 1 10 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.724 0.174 19535 2332 1 10 . 1 1 14 14 HIS C C 14 173.219 173.219 174.606 -1.387 19535 2333 1 10 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.993 -0.130 19535 2334 1 10 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.390 -1.042 19535 2335 1 10 . 1 1 14 14 HIS H H 14 8.437 8.437 8.177 0.260 19535 2336 1 10 . 1 1 15 15 ASN N N 15 117.243 117.243 118.168 -0.925 19535 2337 1 10 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.804 0.133 19535 2338 1 10 . 1 1 15 15 ASN C C 15 174.010 174.010 173.897 0.113 19535 2339 1 10 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.394 -0.271 19535 2340 1 10 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.151 0.595 19535 2341 1 10 . 1 1 15 15 ASN H H 15 7.934 7.934 7.653 0.281 19535 2342 1 10 . 1 1 16 16 HIS N N 16 118.072 118.072 116.927 1.145 19535 2343 1 10 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.156 0.479 19535 2344 1 10 . 1 1 16 16 HIS C C 16 173.449 173.449 173.656 -0.207 19535 2345 1 10 . 1 1 16 16 HIS CA C 16 56.640 56.640 56.915 -0.275 19535 2346 1 10 . 1 1 16 16 HIS CB C 16 28.451 28.451 28.346 0.105 19535 2347 1 10 . 1 1 16 16 HIS H H 16 8.402 8.402 8.530 -0.128 19535 2348 1 10 . 1 1 17 17 ASN N N 17 120.144 120.144 117.423 2.721 19535 2349 1 10 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.731 0.184 19535 2350 1 10 . 1 1 17 17 ASN C C 17 173.857 173.857 174.322 -0.465 19535 2351 1 10 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.861 -0.344 19535 2352 1 10 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.478 -0.323 19535 2353 1 10 . 1 1 17 17 ASN H H 17 8.567 8.567 7.862 0.705 19535 2354 1 10 . 1 1 18 18 ASP N N 18 121.570 121.570 125.002 -3.432 19535 2355 1 10 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.840 0.242 19535 2356 1 10 . 1 1 18 18 ASP C C 18 175.565 175.565 174.335 1.230 19535 2357 1 10 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.585 -0.248 19535 2358 1 10 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.881 -1.846 19535 2359 1 10 . 1 1 18 18 ASP H H 18 8.623 8.623 8.571 0.052 19535 2360 1 10 . 1 1 19 19 CYS N N 19 119.788 119.788 122.024 -2.236 19535 2361 1 10 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.712 0.160 19535 2362 1 10 . 1 1 19 19 CYS C C 19 174.188 174.188 175.526 -1.338 19535 2363 1 10 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.700 -3.574 19535 2364 1 10 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.017 7.152 19535 2365 1 10 . 1 1 19 19 CYS H H 19 8.370 8.370 8.615 -0.245 19535 2366 1 10 . 1 1 20 20 CYS N N 20 123.247 123.247 123.304 -0.057 19535 2367 1 10 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.185 0.423 19535 2368 1 10 . 1 1 20 20 CYS C C 20 175.514 175.514 174.878 0.636 19535 2369 1 10 . 1 1 20 20 CYS CA C 20 57.344 57.344 61.293 -3.949 19535 2370 1 10 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.563 11.648 19535 2371 1 10 . 1 1 20 20 CYS H H 20 9.556 9.556 8.992 0.564 19535 2372 1 10 . 1 1 21 21 GLY N N 21 109.083 109.083 104.723 4.360 19535 2373 1 10 . 1 1 21 21 GLY C C 21 171.945 171.945 173.026 -1.081 19535 2374 1 10 . 1 1 21 21 GLY CA C 21 45.117 45.117 44.041 1.076 19535 2375 1 10 . 1 1 21 21 GLY H H 21 8.968 8.968 7.864 1.104 19535 2376 1 10 . 1 1 22 22 SER N N 22 121.727 121.727 114.545 7.182 19535 2377 1 10 . 1 1 22 22 SER HA H 22 4.798 4.798 4.707 0.091 19535 2378 1 10 . 1 1 22 22 SER C C 22 170.670 170.670 174.792 -4.122 19535 2379 1 10 . 1 1 22 22 SER CA C 22 57.668 57.668 57.892 -0.223 19535 2380 1 10 . 1 1 22 22 SER CB C 22 66.662 66.662 64.747 1.915 19535 2381 1 10 . 1 1 22 22 SER H H 22 9.116 9.116 8.076 1.040 19535 2382 1 10 . 1 1 23 23 CYS N N 23 123.558 123.558 124.315 -0.757 19535 2383 1 10 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.739 0.207 19535 2384 1 10 . 1 1 23 23 CYS C C 23 171.894 171.894 175.281 -3.387 19535 2385 1 10 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.629 -3.764 19535 2386 1 10 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.716 12.498 19535 2387 1 10 . 1 1 23 23 CYS H H 23 8.848 8.848 8.849 -0.001 19535 2388 1 10 . 1 1 24 24 LEU N N 24 131.578 131.578 127.266 4.312 19535 2389 1 10 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.690 0.056 19535 2390 1 10 . 1 1 24 24 LEU C C 24 175.871 175.871 175.908 -0.037 19535 2391 1 10 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.788 0.813 19535 2392 1 10 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.730 -1.508 19535 2393 1 10 . 1 1 24 24 LEU H H 24 8.582 8.582 8.644 -0.062 19535 2394 1 10 . 1 1 25 25 CYS N N 25 122.657 122.657 124.400 -1.743 19535 2395 1 10 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.852 0.480 19535 2396 1 10 . 1 1 25 25 CYS C C 25 173.806 173.806 175.427 -1.621 19535 2397 1 10 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.139 -3.571 19535 2398 1 10 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.774 18.521 19535 2399 1 10 . 1 1 25 25 CYS H H 25 8.832 8.832 8.930 -0.098 19535 2400 1 10 . 1 1 26 26 SER N N 26 117.664 117.664 120.274 -2.610 19535 2401 1 10 . 1 1 26 26 SER HA H 26 4.648 4.648 4.372 0.276 19535 2402 1 10 . 1 1 26 26 SER C C 26 173.194 173.194 174.331 -1.137 19535 2403 1 10 . 1 1 26 26 SER CA C 26 58.458 58.458 58.934 -0.476 19535 2404 1 10 . 1 1 26 26 SER CB C 26 64.218 64.218 63.492 0.726 19535 2405 1 10 . 1 1 26 26 SER H H 26 8.550 8.550 8.338 0.212 19535 2406 1 10 . 1 1 27 27 ASN N N 27 120.609 120.609 126.623 -6.014 19535 2407 1 10 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.933 0.021 19535 2408 1 10 . 1 1 27 27 ASN C C 27 174.341 174.341 175.963 -1.622 19535 2409 1 10 . 1 1 27 27 ASN CA C 27 53.498 53.498 51.994 1.504 19535 2410 1 10 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.378 0.023 19535 2411 1 10 . 1 1 27 27 ASN H H 27 8.663 8.663 8.625 0.038 19535 2412 1 10 . 1 1 28 28 GLY N N 28 109.128 109.128 109.817 -0.689 19535 2413 1 10 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.324 0.969 19535 2414 1 10 . 1 1 28 28 GLY H H 28 8.232 8.232 7.793 0.439 19535 2415 1 10 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.420 0.153 19535 2416 1 10 . 1 1 29 29 PRO C C 29 176.100 176.100 176.102 -0.002 19535 2417 1 10 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.197 0.249 19535 2418 1 10 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.084 0.057 19535 2419 1 10 . 1 1 30 30 ILE N N 30 120.101 120.101 117.390 2.711 19535 2420 1 10 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.562 -0.304 19535 2421 1 10 . 1 1 30 30 ILE C C 30 174.928 174.928 175.350 -0.422 19535 2422 1 10 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.420 0.744 19535 2423 1 10 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.900 0.108 19535 2424 1 10 . 1 1 30 30 ILE H H 30 8.059 8.059 8.038 0.021 19535 2425 1 10 . 1 1 31 31 ALA N N 31 127.003 127.003 130.762 -3.759 19535 2426 1 10 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.425 0.007 19535 2427 1 10 . 1 1 31 31 ALA C C 31 176.355 176.355 177.457 -1.102 19535 2428 1 10 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.843 0.053 19535 2429 1 10 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.739 -0.274 19535 2430 1 10 . 1 1 31 31 ALA H H 31 8.303 8.303 8.821 -0.518 19535 2431 1 10 . 1 1 32 32 ARG N N 32 118.980 118.980 118.960 0.020 19535 2432 1 10 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.809 -0.330 19535 2433 1 10 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.462 0.131 19535 2434 1 10 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.026 0.324 19535 2435 1 10 . 1 1 32 32 ARG H H 32 7.910 7.910 8.210 -0.300 19535 2436 1 10 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.598 -0.209 19535 2437 1 10 . 1 1 33 33 PRO C C 33 175.947 175.947 176.584 -0.637 19535 2438 1 10 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.185 0.374 19535 2439 1 10 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.987 -0.052 19535 2440 1 10 . 1 1 34 34 TRP N N 34 116.547 116.547 117.142 -0.595 19535 2441 1 10 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.602 0.168 19535 2442 1 10 . 1 1 34 34 TRP C C 34 175.488 175.488 177.240 -1.752 19535 2443 1 10 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.815 -0.928 19535 2444 1 10 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.498 -0.910 19535 2445 1 10 . 1 1 34 34 TRP H H 34 7.479 7.479 8.213 -0.734 19535 2446 1 10 . 1 1 35 35 GLU N N 35 120.618 120.618 116.616 4.002 19535 2447 1 10 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.484 -0.102 19535 2448 1 10 . 1 1 35 35 GLU C C 35 174.902 174.902 177.493 -2.591 19535 2449 1 10 . 1 1 35 35 GLU CA C 35 56.567 56.567 56.832 -0.265 19535 2450 1 10 . 1 1 35 35 GLU CB C 35 29.320 29.320 30.953 -1.633 19535 2451 1 10 . 1 1 35 35 GLU H H 35 7.817 7.817 7.816 0.001 19535 2452 1 10 . 1 1 36 36 MET N N 36 119.553 119.553 121.149 -1.596 19535 2453 1 10 . 1 1 36 36 MET HA H 36 4.535 4.535 4.624 -0.089 19535 2454 1 10 . 1 1 36 36 MET C C 36 175.182 175.182 174.683 0.499 19535 2455 1 10 . 1 1 36 36 MET CA C 36 56.026 56.026 54.181 1.845 19535 2456 1 10 . 1 1 36 36 MET CB C 36 33.032 33.032 31.966 1.066 19535 2457 1 10 . 1 1 36 36 MET H H 36 8.132 8.132 8.582 -0.450 19535 2458 1 10 . 1 1 37 37 MET N N 37 120.609 120.609 123.044 -2.435 19535 2459 1 10 . 1 1 37 37 MET HA H 37 4.629 4.629 4.452 0.177 19535 2460 1 10 . 1 1 37 37 MET C C 37 175.081 175.081 175.733 -0.652 19535 2461 1 10 . 1 1 37 37 MET CA C 37 56.043 56.043 55.981 0.062 19535 2462 1 10 . 1 1 37 37 MET CB C 37 33.041 33.041 31.658 1.383 19535 2463 1 10 . 1 1 37 37 MET H H 37 8.289 8.289 8.008 0.281 19535 2464 1 10 . 1 1 38 38 VAL N N 38 119.594 119.594 119.830 -0.236 19535 2465 1 10 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.421 -0.083 19535 2466 1 10 . 1 1 38 38 VAL C C 38 175.335 175.335 175.494 -0.159 19535 2467 1 10 . 1 1 38 38 VAL CA C 38 62.647 62.647 60.697 1.950 19535 2468 1 10 . 1 1 38 38 VAL CB C 38 32.887 32.887 31.199 1.688 19535 2469 1 10 . 1 1 38 38 VAL H H 38 8.054 8.054 7.781 0.273 19535 2470 1 10 . 1 1 39 39 GLY N N 39 111.351 111.351 111.119 0.232 19535 2471 1 10 . 1 1 39 39 GLY C C 39 172.429 172.429 174.017 -1.588 19535 2472 1 10 . 1 1 39 39 GLY CA C 39 45.473 45.473 45.059 0.414 19535 2473 1 10 . 1 1 39 39 GLY H H 39 8.329 8.329 8.380 -0.051 19535 2474 1 10 . 1 1 40 40 ASN N N 40 118.075 118.075 120.077 -2.002 19535 2475 1 10 . 1 1 40 40 ASN HA H 40 4.945 4.945 5.100 -0.155 19535 2476 1 10 . 1 1 40 40 ASN C C 40 173.984 173.984 173.849 0.135 19535 2477 1 10 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.265 1.489 19535 2478 1 10 . 1 1 40 40 ASN CB C 40 39.972 39.972 42.444 -2.472 19535 2479 1 10 . 1 1 40 40 ASN H H 40 8.359 8.359 7.975 0.384 19535 2480 1 10 . 1 1 41 41 CYS N N 41 120.609 120.609 118.505 2.104 19535 2481 1 10 . 1 1 41 41 CYS HA H 41 5.538 5.538 5.021 0.517 19535 2482 1 10 . 1 1 41 41 CYS C C 41 172.689 172.689 173.998 -1.309 19535 2483 1 10 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.236 -1.919 19535 2484 1 10 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.877 19.532 19535 2485 1 10 . 1 1 41 41 CYS H H 41 8.653 8.653 8.747 -0.094 19535 2486 1 10 . 1 1 42 42 MET N N 42 120.998 120.998 120.849 0.149 19535 2487 1 10 . 1 1 42 42 MET HA H 42 5.164 5.164 4.807 0.357 19535 2488 1 10 . 1 1 42 42 MET C C 42 175.208 175.208 174.799 0.409 19535 2489 1 10 . 1 1 42 42 MET CA C 42 54.853 54.853 54.472 0.381 19535 2490 1 10 . 1 1 42 42 MET CB C 42 37.960 37.960 37.896 0.064 19535 2491 1 10 . 1 1 42 42 MET H H 42 8.967 8.967 8.411 0.556 19535 2492 1 10 . 1 1 43 43 CYS N N 43 122.297 122.297 118.445 3.852 19535 2493 1 10 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.382 1.123 19535 2494 1 10 . 1 1 43 43 CYS C C 43 175.820 175.820 175.062 0.758 19535 2495 1 10 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.330 -6.836 19535 2496 1 10 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.795 8.912 19535 2497 1 10 . 1 1 43 43 CYS H H 43 9.478 9.478 8.303 1.175 19535 2498 1 10 . 1 1 44 44 GLY N N 44 114.932 114.932 109.252 5.680 19535 2499 1 10 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.911 1.714 19535 2500 1 10 . 1 1 44 44 GLY H H 44 9.712 9.712 7.884 1.828 19535 2501 1 10 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.552 0.064 19535 2502 1 10 . 1 1 45 45 PRO C C 45 175.386 175.386 175.999 -0.613 19535 2503 1 10 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.767 0.173 19535 2504 1 10 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.171 0.054 19535 2505 1 10 . 1 1 46 46 LYS N N 46 121.021 121.021 122.867 -1.846 19535 2506 1 10 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.571 -0.293 19535 2507 1 10 . 1 1 46 46 LYS C C 46 174.902 174.902 175.621 -0.719 19535 2508 1 10 . 1 1 46 46 LYS CA C 46 56.807 56.807 55.674 1.133 19535 2509 1 10 . 1 1 46 46 LYS CB C 46 33.533 33.533 33.633 -0.100 19535 2510 1 10 . 1 1 46 46 LYS H H 46 8.421 8.421 8.538 -0.117 19535 2511 1 11 . 1 1 2 2 LYS N N 2 122.024 122.024 123.529 -1.505 19535 2512 1 11 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.465 0.064 19535 2513 1 11 . 1 1 2 2 LYS C C 2 175.284 175.284 176.327 -1.043 19535 2514 1 11 . 1 1 2 2 LYS CA C 2 56.758 56.758 55.967 0.791 19535 2515 1 11 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.613 -0.259 19535 2516 1 11 . 1 1 2 2 LYS H H 2 8.776 8.776 8.102 0.674 19535 2517 1 11 . 1 1 3 3 GLU N N 3 122.436 122.436 123.956 -1.520 19535 2518 1 11 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.260 0.344 19535 2519 1 11 . 1 1 3 3 GLU C C 3 174.367 174.367 176.455 -2.088 19535 2520 1 11 . 1 1 3 3 GLU CA C 3 55.921 55.921 56.576 -0.655 19535 2521 1 11 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.730 0.579 19535 2522 1 11 . 1 1 3 3 GLU H H 3 8.583 8.583 8.572 0.011 19535 2523 1 11 . 1 1 4 4 CYS N N 4 117.664 117.664 120.918 -3.254 19535 2524 1 11 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.773 0.213 19535 2525 1 11 . 1 1 4 4 CYS C C 4 172.658 172.658 175.080 -2.422 19535 2526 1 11 . 1 1 4 4 CYS CA C 4 54.150 54.150 57.542 -3.392 19535 2527 1 11 . 1 1 4 4 CYS CB C 4 42.390 42.390 29.255 13.135 19535 2528 1 11 . 1 1 4 4 CYS H H 4 8.165 8.165 8.583 -0.418 19535 2529 1 11 . 1 1 5 5 MET N N 5 118.071 118.071 119.932 -1.861 19535 2530 1 11 . 1 1 5 5 MET HA H 5 4.863 4.863 4.855 0.008 19535 2531 1 11 . 1 1 5 5 MET C C 5 175.055 175.055 176.139 -1.084 19535 2532 1 11 . 1 1 5 5 MET CA C 5 55.789 55.789 54.210 1.579 19535 2533 1 11 . 1 1 5 5 MET CB C 5 34.599 34.599 34.799 -0.200 19535 2534 1 11 . 1 1 5 5 MET H H 5 9.075 9.075 8.633 0.442 19535 2535 1 11 . 1 1 6 6 THR N N 6 116.953 116.953 113.123 3.830 19535 2536 1 11 . 1 1 6 6 THR HA H 6 4.224 4.224 4.557 -0.333 19535 2537 1 11 . 1 1 6 6 THR C C 6 174.188 174.188 174.082 0.106 19535 2538 1 11 . 1 1 6 6 THR CA C 6 61.777 61.777 60.550 1.227 19535 2539 1 11 . 1 1 6 6 THR CB C 6 70.305 70.305 70.070 0.235 19535 2540 1 11 . 1 1 6 6 THR H H 6 8.492 8.492 8.514 -0.022 19535 2541 1 11 . 1 1 7 7 ASP N N 7 123.270 123.270 118.210 5.060 19535 2542 1 11 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.294 -0.198 19535 2543 1 11 . 1 1 7 7 ASP C C 7 175.284 175.284 177.311 -2.027 19535 2544 1 11 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.728 1.096 19535 2545 1 11 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.781 -1.570 19535 2546 1 11 . 1 1 7 7 ASP H H 7 8.643 8.643 8.332 0.311 19535 2547 1 11 . 1 1 8 8 GLY N N 8 111.423 111.423 110.310 1.113 19535 2548 1 11 . 1 1 8 8 GLY C C 8 173.117 173.117 174.415 -1.298 19535 2549 1 11 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.005 0.095 19535 2550 1 11 . 1 1 8 8 GLY H H 8 9.329 9.329 8.316 1.013 19535 2551 1 11 . 1 1 9 9 THR N N 9 116.646 116.646 119.439 -2.793 19535 2552 1 11 . 1 1 9 9 THR HA H 9 4.320 4.320 4.440 -0.120 19535 2553 1 11 . 1 1 9 9 THR C C 9 172.913 172.913 174.549 -1.636 19535 2554 1 11 . 1 1 9 9 THR CA C 9 63.312 63.312 61.930 1.382 19535 2555 1 11 . 1 1 9 9 THR CB C 9 70.010 70.010 69.575 0.435 19535 2556 1 11 . 1 1 9 9 THR H H 9 7.695 7.695 7.436 0.259 19535 2557 1 11 . 1 1 10 10 VAL N N 10 127.413 127.413 126.513 0.900 19535 2558 1 11 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.689 0.535 19535 2559 1 11 . 1 1 10 10 VAL C C 10 173.194 173.194 176.177 -2.983 19535 2560 1 11 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.360 0.099 19535 2561 1 11 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.207 0.818 19535 2562 1 11 . 1 1 10 10 VAL H H 10 8.605 8.605 8.581 0.024 19535 2563 1 11 . 1 1 11 11 CYS N N 11 120.712 120.712 125.154 -4.442 19535 2564 1 11 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.796 0.188 19535 2565 1 11 . 1 1 11 11 CYS C C 11 169.701 169.701 172.388 -2.687 19535 2566 1 11 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.638 -2.850 19535 2567 1 11 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.359 18.809 19535 2568 1 11 . 1 1 11 11 CYS H H 11 7.743 7.743 8.117 -0.374 19535 2569 1 11 . 1 1 12 12 TYR N N 12 117.867 117.867 118.907 -1.040 19535 2570 1 11 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.858 0.109 19535 2571 1 11 . 1 1 12 12 TYR C C 12 175.577 175.577 176.915 -1.338 19535 2572 1 11 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.193 -0.455 19535 2573 1 11 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.547 -2.072 19535 2574 1 11 . 1 1 12 12 TYR H H 12 8.324 8.324 8.115 0.209 19535 2575 1 11 . 1 1 13 13 ILE N N 13 122.840 122.840 123.779 -0.939 19535 2576 1 11 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.960 0.115 19535 2577 1 11 . 1 1 13 13 ILE C C 13 175.629 175.629 176.907 -1.278 19535 2578 1 11 . 1 1 13 13 ILE CA C 13 62.842 62.842 63.100 -0.258 19535 2579 1 11 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.700 0.472 19535 2580 1 11 . 1 1 13 13 ILE H H 13 8.502 8.502 8.848 -0.346 19535 2581 1 11 . 1 1 14 14 HIS N N 14 117.156 117.156 118.207 -1.051 19535 2582 1 11 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.723 0.175 19535 2583 1 11 . 1 1 14 14 HIS C C 14 173.219 173.219 174.988 -1.769 19535 2584 1 11 . 1 1 14 14 HIS CA C 14 55.863 55.863 56.118 -0.256 19535 2585 1 11 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.369 -1.021 19535 2586 1 11 . 1 1 14 14 HIS H H 14 8.437 8.437 8.454 -0.017 19535 2587 1 11 . 1 1 15 15 ASN N N 15 117.243 117.243 117.283 -0.040 19535 2588 1 11 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.773 0.164 19535 2589 1 11 . 1 1 15 15 ASN C C 15 174.010 174.010 174.343 -0.333 19535 2590 1 11 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.450 -0.327 19535 2591 1 11 . 1 1 15 15 ASN CB C 15 39.746 39.746 40.029 -0.283 19535 2592 1 11 . 1 1 15 15 ASN H H 15 7.934 7.934 7.693 0.241 19535 2593 1 11 . 1 1 16 16 HIS N N 16 118.072 118.072 117.092 0.980 19535 2594 1 11 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.259 0.376 19535 2595 1 11 . 1 1 16 16 HIS C C 16 173.449 173.449 173.643 -0.194 19535 2596 1 11 . 1 1 16 16 HIS CA C 16 56.640 56.640 56.774 -0.134 19535 2597 1 11 . 1 1 16 16 HIS CB C 16 28.451 28.451 28.240 0.211 19535 2598 1 11 . 1 1 16 16 HIS H H 16 8.402 8.402 8.262 0.140 19535 2599 1 11 . 1 1 17 17 ASN N N 17 120.144 120.144 118.227 1.917 19535 2600 1 11 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.699 0.216 19535 2601 1 11 . 1 1 17 17 ASN C C 17 173.857 173.857 174.796 -0.939 19535 2602 1 11 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.512 0.005 19535 2603 1 11 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.381 -0.226 19535 2604 1 11 . 1 1 17 17 ASN H H 17 8.567 8.567 7.848 0.719 19535 2605 1 11 . 1 1 18 18 ASP N N 18 121.570 121.570 120.472 1.098 19535 2606 1 11 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.744 0.338 19535 2607 1 11 . 1 1 18 18 ASP C C 18 175.565 175.565 174.593 0.972 19535 2608 1 11 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.175 0.162 19535 2609 1 11 . 1 1 18 18 ASP CB C 18 40.035 40.035 40.701 -0.666 19535 2610 1 11 . 1 1 18 18 ASP H H 18 8.623 8.623 8.410 0.213 19535 2611 1 11 . 1 1 19 19 CYS N N 19 119.788 119.788 120.315 -0.527 19535 2612 1 11 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.704 0.168 19535 2613 1 11 . 1 1 19 19 CYS C C 19 174.188 174.188 175.871 -1.683 19535 2614 1 11 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.778 -3.652 19535 2615 1 11 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.414 6.755 19535 2616 1 11 . 1 1 19 19 CYS H H 19 8.370 8.370 8.658 -0.288 19535 2617 1 11 . 1 1 20 20 CYS N N 20 123.247 123.247 124.308 -1.061 19535 2618 1 11 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.332 0.276 19535 2619 1 11 . 1 1 20 20 CYS C C 20 175.514 175.514 175.312 0.202 19535 2620 1 11 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.647 -3.303 19535 2621 1 11 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.332 11.879 19535 2622 1 11 . 1 1 20 20 CYS H H 20 9.556 9.556 8.917 0.639 19535 2623 1 11 . 1 1 21 21 GLY N N 21 109.083 109.083 106.136 2.947 19535 2624 1 11 . 1 1 21 21 GLY C C 21 171.945 171.945 173.216 -1.271 19535 2625 1 11 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.685 1.432 19535 2626 1 11 . 1 1 21 21 GLY H H 21 8.968 8.968 7.882 1.086 19535 2627 1 11 . 1 1 22 22 SER N N 22 121.727 121.727 114.627 7.100 19535 2628 1 11 . 1 1 22 22 SER HA H 22 4.798 4.798 4.712 0.086 19535 2629 1 11 . 1 1 22 22 SER C C 22 170.670 170.670 174.644 -3.974 19535 2630 1 11 . 1 1 22 22 SER CA C 22 57.668 57.668 57.980 -0.312 19535 2631 1 11 . 1 1 22 22 SER CB C 22 66.662 66.662 64.916 1.746 19535 2632 1 11 . 1 1 22 22 SER H H 22 9.116 9.116 8.188 0.928 19535 2633 1 11 . 1 1 23 23 CYS N N 23 123.558 123.558 123.175 0.383 19535 2634 1 11 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.743 0.203 19535 2635 1 11 . 1 1 23 23 CYS C C 23 171.894 171.894 175.591 -3.697 19535 2636 1 11 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.583 -3.718 19535 2637 1 11 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.822 12.392 19535 2638 1 11 . 1 1 23 23 CYS H H 23 8.848 8.848 8.814 0.034 19535 2639 1 11 . 1 1 24 24 LEU N N 24 131.578 131.578 127.943 3.635 19535 2640 1 11 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.648 0.098 19535 2641 1 11 . 1 1 24 24 LEU C C 24 175.871 175.871 175.964 -0.093 19535 2642 1 11 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.842 0.759 19535 2643 1 11 . 1 1 24 24 LEU CB C 24 43.222 43.222 43.897 -0.675 19535 2644 1 11 . 1 1 24 24 LEU H H 24 8.582 8.582 8.538 0.044 19535 2645 1 11 . 1 1 25 25 CYS N N 25 122.657 122.657 124.483 -1.826 19535 2646 1 11 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.676 0.656 19535 2647 1 11 . 1 1 25 25 CYS C C 25 173.806 173.806 175.120 -1.314 19535 2648 1 11 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.650 -4.083 19535 2649 1 11 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.511 18.784 19535 2650 1 11 . 1 1 25 25 CYS H H 25 8.832 8.832 8.994 -0.162 19535 2651 1 11 . 1 1 26 26 SER N N 26 117.664 117.664 120.528 -2.864 19535 2652 1 11 . 1 1 26 26 SER HA H 26 4.648 4.648 4.735 -0.087 19535 2653 1 11 . 1 1 26 26 SER C C 26 173.194 173.194 175.240 -2.046 19535 2654 1 11 . 1 1 26 26 SER CA C 26 58.458 58.458 57.773 0.685 19535 2655 1 11 . 1 1 26 26 SER CB C 26 64.218 64.218 64.562 -0.344 19535 2656 1 11 . 1 1 26 26 SER H H 26 8.550 8.550 8.500 0.050 19535 2657 1 11 . 1 1 27 27 ASN N N 27 120.609 120.609 126.654 -6.045 19535 2658 1 11 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.653 0.301 19535 2659 1 11 . 1 1 27 27 ASN C C 27 174.341 174.341 175.648 -1.307 19535 2660 1 11 . 1 1 27 27 ASN CA C 27 53.498 53.498 53.446 0.052 19535 2661 1 11 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.125 0.276 19535 2662 1 11 . 1 1 27 27 ASN H H 27 8.663 8.663 8.756 -0.093 19535 2663 1 11 . 1 1 28 28 GLY N N 28 109.128 109.128 109.845 -0.717 19535 2664 1 11 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.417 0.875 19535 2665 1 11 . 1 1 28 28 GLY H H 28 8.232 8.232 8.087 0.145 19535 2666 1 11 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.460 0.113 19535 2667 1 11 . 1 1 29 29 PRO C C 29 176.100 176.100 176.089 0.011 19535 2668 1 11 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.165 0.281 19535 2669 1 11 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.121 0.020 19535 2670 1 11 . 1 1 30 30 ILE N N 30 120.101 120.101 117.387 2.714 19535 2671 1 11 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.551 -0.293 19535 2672 1 11 . 1 1 30 30 ILE C C 30 174.928 174.928 175.298 -0.370 19535 2673 1 11 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.387 0.777 19535 2674 1 11 . 1 1 30 30 ILE CB C 30 39.008 39.008 39.075 -0.067 19535 2675 1 11 . 1 1 30 30 ILE H H 30 8.059 8.059 8.030 0.029 19535 2676 1 11 . 1 1 31 31 ALA N N 31 127.003 127.003 130.859 -3.856 19535 2677 1 11 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.426 0.006 19535 2678 1 11 . 1 1 31 31 ALA C C 31 176.355 176.355 177.697 -1.342 19535 2679 1 11 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.886 0.010 19535 2680 1 11 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.921 -0.456 19535 2681 1 11 . 1 1 31 31 ALA H H 31 8.303 8.303 8.759 -0.456 19535 2682 1 11 . 1 1 32 32 ARG N N 32 118.980 118.980 118.841 0.139 19535 2683 1 11 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.797 -0.318 19535 2684 1 11 . 1 1 32 32 ARG CA C 32 53.593 53.593 52.939 0.654 19535 2685 1 11 . 1 1 32 32 ARG CB C 32 30.351 30.351 29.548 0.803 19535 2686 1 11 . 1 1 32 32 ARG H H 32 7.910 7.910 8.364 -0.454 19535 2687 1 11 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.842 -0.453 19535 2688 1 11 . 1 1 33 33 PRO C C 33 175.947 175.947 177.089 -1.142 19535 2689 1 11 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.188 0.371 19535 2690 1 11 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.922 0.012 19535 2691 1 11 . 1 1 34 34 TRP N N 34 116.547 116.547 120.032 -3.485 19535 2692 1 11 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.578 0.192 19535 2693 1 11 . 1 1 34 34 TRP C C 34 175.488 175.488 177.477 -1.989 19535 2694 1 11 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.775 -0.888 19535 2695 1 11 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.364 -0.776 19535 2696 1 11 . 1 1 34 34 TRP H H 34 7.479 7.479 8.788 -1.309 19535 2697 1 11 . 1 1 35 35 GLU N N 35 120.618 120.618 116.831 3.787 19535 2698 1 11 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.555 -0.173 19535 2699 1 11 . 1 1 35 35 GLU C C 35 174.902 174.902 177.072 -2.170 19535 2700 1 11 . 1 1 35 35 GLU CA C 35 56.567 56.567 56.623 -0.056 19535 2701 1 11 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.510 -2.190 19535 2702 1 11 . 1 1 35 35 GLU H H 35 7.817 7.817 7.799 0.018 19535 2703 1 11 . 1 1 36 36 MET N N 36 119.553 119.553 122.638 -3.085 19535 2704 1 11 . 1 1 36 36 MET HA H 36 4.535 4.535 4.728 -0.193 19535 2705 1 11 . 1 1 36 36 MET C C 36 175.182 175.182 174.485 0.697 19535 2706 1 11 . 1 1 36 36 MET CA C 36 56.026 56.026 54.777 1.249 19535 2707 1 11 . 1 1 36 36 MET CB C 36 33.032 33.032 34.037 -1.005 19535 2708 1 11 . 1 1 36 36 MET H H 36 8.132 8.132 8.474 -0.342 19535 2709 1 11 . 1 1 37 37 MET N N 37 120.609 120.609 125.591 -4.982 19535 2710 1 11 . 1 1 37 37 MET HA H 37 4.629 4.629 4.689 -0.060 19535 2711 1 11 . 1 1 37 37 MET C C 37 175.081 175.081 175.161 -0.080 19535 2712 1 11 . 1 1 37 37 MET CA C 37 56.043 56.043 54.089 1.954 19535 2713 1 11 . 1 1 37 37 MET CB C 37 33.041 33.041 32.232 0.809 19535 2714 1 11 . 1 1 37 37 MET H H 37 8.289 8.289 8.700 -0.411 19535 2715 1 11 . 1 1 38 38 VAL N N 38 119.594 119.594 121.705 -2.111 19535 2716 1 11 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.576 -0.238 19535 2717 1 11 . 1 1 38 38 VAL C C 38 175.335 175.335 175.524 -0.189 19535 2718 1 11 . 1 1 38 38 VAL CA C 38 62.647 62.647 60.845 1.802 19535 2719 1 11 . 1 1 38 38 VAL CB C 38 32.887 32.887 33.145 -0.258 19535 2720 1 11 . 1 1 38 38 VAL H H 38 8.054 8.054 8.138 -0.084 19535 2721 1 11 . 1 1 39 39 GLY N N 39 111.351 111.351 110.872 0.479 19535 2722 1 11 . 1 1 39 39 GLY C C 39 172.429 172.429 174.200 -1.771 19535 2723 1 11 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.667 0.806 19535 2724 1 11 . 1 1 39 39 GLY H H 39 8.329 8.329 8.506 -0.177 19535 2725 1 11 . 1 1 40 40 ASN N N 40 118.075 118.075 118.440 -0.365 19535 2726 1 11 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.954 -0.009 19535 2727 1 11 . 1 1 40 40 ASN C C 40 173.984 173.984 174.524 -0.540 19535 2728 1 11 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.389 1.365 19535 2729 1 11 . 1 1 40 40 ASN CB C 40 39.972 39.972 40.061 -0.089 19535 2730 1 11 . 1 1 40 40 ASN H H 40 8.359 8.359 7.947 0.412 19535 2731 1 11 . 1 1 41 41 CYS N N 41 120.609 120.609 118.502 2.107 19535 2732 1 11 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.746 0.792 19535 2733 1 11 . 1 1 41 41 CYS C C 41 172.689 172.689 174.000 -1.311 19535 2734 1 11 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.316 -1.999 19535 2735 1 11 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.645 19.765 19535 2736 1 11 . 1 1 41 41 CYS H H 41 8.653 8.653 8.663 -0.010 19535 2737 1 11 . 1 1 42 42 MET N N 42 120.998 120.998 120.601 0.397 19535 2738 1 11 . 1 1 42 42 MET HA H 42 5.164 5.164 4.892 0.272 19535 2739 1 11 . 1 1 42 42 MET C C 42 175.208 175.208 175.210 -0.002 19535 2740 1 11 . 1 1 42 42 MET CA C 42 54.853 54.853 54.336 0.517 19535 2741 1 11 . 1 1 42 42 MET CB C 42 37.960 37.960 37.954 0.006 19535 2742 1 11 . 1 1 42 42 MET H H 42 8.967 8.967 8.398 0.569 19535 2743 1 11 . 1 1 43 43 CYS N N 43 122.297 122.297 118.049 4.248 19535 2744 1 11 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.399 1.106 19535 2745 1 11 . 1 1 43 43 CYS C C 43 175.820 175.820 174.867 0.953 19535 2746 1 11 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.150 -6.656 19535 2747 1 11 . 1 1 43 43 CYS CB C 43 35.707 35.707 27.145 8.562 19535 2748 1 11 . 1 1 43 43 CYS H H 43 9.478 9.478 8.242 1.236 19535 2749 1 11 . 1 1 44 44 GLY N N 44 114.932 114.932 108.674 6.258 19535 2750 1 11 . 1 1 44 44 GLY CA C 44 45.625 45.625 44.292 1.333 19535 2751 1 11 . 1 1 44 44 GLY H H 44 9.712 9.712 7.886 1.826 19535 2752 1 11 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.531 0.085 19535 2753 1 11 . 1 1 45 45 PRO C C 45 175.386 175.386 176.249 -0.863 19535 2754 1 11 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.663 0.277 19535 2755 1 11 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.206 0.019 19535 2756 1 11 . 1 1 46 46 LYS N N 46 121.021 121.021 122.994 -1.973 19535 2757 1 11 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.379 -0.101 19535 2758 1 11 . 1 1 46 46 LYS C C 46 174.902 174.902 175.833 -0.931 19535 2759 1 11 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.069 0.737 19535 2760 1 11 . 1 1 46 46 LYS CB C 46 33.533 33.533 33.089 0.444 19535 2761 1 11 . 1 1 46 46 LYS H H 46 8.421 8.421 8.601 -0.180 19535 2762 1 12 . 1 1 2 2 LYS N N 2 122.024 122.024 126.392 -4.368 19535 2763 1 12 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.456 0.073 19535 2764 1 12 . 1 1 2 2 LYS C C 2 175.284 175.284 176.318 -1.034 19535 2765 1 12 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.237 0.521 19535 2766 1 12 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.182 0.172 19535 2767 1 12 . 1 1 2 2 LYS H H 2 8.776 8.776 8.375 0.401 19535 2768 1 12 . 1 1 3 3 GLU N N 3 122.436 122.436 125.779 -3.343 19535 2769 1 12 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.576 0.028 19535 2770 1 12 . 1 1 3 3 GLU C C 3 174.367 174.367 176.039 -1.672 19535 2771 1 12 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.834 0.087 19535 2772 1 12 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.149 1.160 19535 2773 1 12 . 1 1 3 3 GLU H H 3 8.583 8.583 8.663 -0.080 19535 2774 1 12 . 1 1 4 4 CYS N N 4 117.664 117.664 119.164 -1.500 19535 2775 1 12 . 1 1 4 4 CYS HA H 4 4.986 4.986 5.116 -0.130 19535 2776 1 12 . 1 1 4 4 CYS C C 4 172.658 172.658 174.543 -1.885 19535 2777 1 12 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.275 -2.125 19535 2778 1 12 . 1 1 4 4 CYS CB C 4 42.390 42.390 30.026 12.364 19535 2779 1 12 . 1 1 4 4 CYS H H 4 8.165 8.165 8.117 0.048 19535 2780 1 12 . 1 1 5 5 MET N N 5 118.071 118.071 119.667 -1.596 19535 2781 1 12 . 1 1 5 5 MET HA H 5 4.863 4.863 4.871 -0.008 19535 2782 1 12 . 1 1 5 5 MET C C 5 175.055 175.055 175.895 -0.840 19535 2783 1 12 . 1 1 5 5 MET CA C 5 55.789 55.789 54.447 1.342 19535 2784 1 12 . 1 1 5 5 MET CB C 5 34.599 34.599 35.269 -0.670 19535 2785 1 12 . 1 1 5 5 MET H H 5 9.075 9.075 8.749 0.326 19535 2786 1 12 . 1 1 6 6 THR N N 6 116.953 116.953 113.241 3.712 19535 2787 1 12 . 1 1 6 6 THR HA H 6 4.224 4.224 4.528 -0.304 19535 2788 1 12 . 1 1 6 6 THR C C 6 174.188 174.188 173.963 0.225 19535 2789 1 12 . 1 1 6 6 THR CA C 6 61.777 61.777 60.685 1.092 19535 2790 1 12 . 1 1 6 6 THR CB C 6 70.305 70.305 69.565 0.740 19535 2791 1 12 . 1 1 6 6 THR H H 6 8.492 8.492 8.387 0.105 19535 2792 1 12 . 1 1 7 7 ASP N N 7 123.270 123.270 117.731 5.539 19535 2793 1 12 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.218 -0.122 19535 2794 1 12 . 1 1 7 7 ASP C C 7 175.284 175.284 177.153 -1.869 19535 2795 1 12 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.700 1.124 19535 2796 1 12 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.750 -1.539 19535 2797 1 12 . 1 1 7 7 ASP H H 7 8.643 8.643 8.408 0.235 19535 2798 1 12 . 1 1 8 8 GLY N N 8 111.423 111.423 110.253 1.170 19535 2799 1 12 . 1 1 8 8 GLY C C 8 173.117 173.117 174.693 -1.576 19535 2800 1 12 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.027 0.073 19535 2801 1 12 . 1 1 8 8 GLY H H 8 9.329 9.329 8.390 0.939 19535 2802 1 12 . 1 1 9 9 THR N N 9 116.646 116.646 119.870 -3.224 19535 2803 1 12 . 1 1 9 9 THR HA H 9 4.320 4.320 4.493 -0.173 19535 2804 1 12 . 1 1 9 9 THR C C 9 172.913 172.913 174.228 -1.315 19535 2805 1 12 . 1 1 9 9 THR CA C 9 63.312 63.312 62.379 0.933 19535 2806 1 12 . 1 1 9 9 THR CB C 9 70.010 70.010 69.754 0.256 19535 2807 1 12 . 1 1 9 9 THR H H 9 7.695 7.695 7.450 0.245 19535 2808 1 12 . 1 1 10 10 VAL N N 10 127.413 127.413 127.127 0.286 19535 2809 1 12 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.685 0.539 19535 2810 1 12 . 1 1 10 10 VAL C C 10 173.194 173.194 175.942 -2.748 19535 2811 1 12 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.562 -0.103 19535 2812 1 12 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.662 0.363 19535 2813 1 12 . 1 1 10 10 VAL H H 10 8.605 8.605 8.528 0.077 19535 2814 1 12 . 1 1 11 11 CYS N N 11 120.712 120.712 123.837 -3.125 19535 2815 1 12 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.855 0.129 19535 2816 1 12 . 1 1 11 11 CYS C C 11 169.701 169.701 172.534 -2.833 19535 2817 1 12 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.488 -2.700 19535 2818 1 12 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.985 18.183 19535 2819 1 12 . 1 1 11 11 CYS H H 11 7.743 7.743 8.104 -0.361 19535 2820 1 12 . 1 1 12 12 TYR N N 12 117.867 117.867 119.105 -1.238 19535 2821 1 12 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.832 0.135 19535 2822 1 12 . 1 1 12 12 TYR C C 12 175.577 175.577 176.855 -1.278 19535 2823 1 12 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.222 -0.484 19535 2824 1 12 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.230 -1.756 19535 2825 1 12 . 1 1 12 12 TYR H H 12 8.324 8.324 8.164 0.160 19535 2826 1 12 . 1 1 13 13 ILE N N 13 122.840 122.840 123.786 -0.946 19535 2827 1 12 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.934 0.141 19535 2828 1 12 . 1 1 13 13 ILE C C 13 175.629 175.629 176.528 -0.899 19535 2829 1 12 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.908 -0.066 19535 2830 1 12 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.696 0.476 19535 2831 1 12 . 1 1 13 13 ILE H H 13 8.502 8.502 8.811 -0.309 19535 2832 1 12 . 1 1 14 14 HIS N N 14 117.156 117.156 118.490 -1.334 19535 2833 1 12 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.625 0.273 19535 2834 1 12 . 1 1 14 14 HIS C C 14 173.219 173.219 174.417 -1.198 19535 2835 1 12 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.912 -0.049 19535 2836 1 12 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.174 -0.826 19535 2837 1 12 . 1 1 14 14 HIS H H 14 8.437 8.437 8.281 0.156 19535 2838 1 12 . 1 1 15 15 ASN N N 15 117.243 117.243 118.051 -0.808 19535 2839 1 12 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.715 0.222 19535 2840 1 12 . 1 1 15 15 ASN C C 15 174.010 174.010 174.020 -0.010 19535 2841 1 12 . 1 1 15 15 ASN CA C 15 53.123 53.123 52.978 0.145 19535 2842 1 12 . 1 1 15 15 ASN CB C 15 39.746 39.746 40.042 -0.296 19535 2843 1 12 . 1 1 15 15 ASN H H 15 7.934 7.934 7.591 0.343 19535 2844 1 12 . 1 1 16 16 HIS N N 16 118.072 118.072 115.003 3.069 19535 2845 1 12 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.204 0.431 19535 2846 1 12 . 1 1 16 16 HIS C C 16 173.449 173.449 173.885 -0.436 19535 2847 1 12 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.387 -0.747 19535 2848 1 12 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.088 1.363 19535 2849 1 12 . 1 1 16 16 HIS H H 16 8.402 8.402 8.215 0.187 19535 2850 1 12 . 1 1 17 17 ASN N N 17 120.144 120.144 118.483 1.661 19535 2851 1 12 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.759 0.156 19535 2852 1 12 . 1 1 17 17 ASN C C 17 173.857 173.857 174.681 -0.824 19535 2853 1 12 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.999 -0.482 19535 2854 1 12 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.395 -0.240 19535 2855 1 12 . 1 1 17 17 ASN H H 17 8.567 8.567 7.882 0.685 19535 2856 1 12 . 1 1 18 18 ASP N N 18 121.570 121.570 124.789 -3.219 19535 2857 1 12 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.944 0.138 19535 2858 1 12 . 1 1 18 18 ASP C C 18 175.565 175.565 174.127 1.438 19535 2859 1 12 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.489 -0.152 19535 2860 1 12 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.424 -1.389 19535 2861 1 12 . 1 1 18 18 ASP H H 18 8.623 8.623 8.690 -0.067 19535 2862 1 12 . 1 1 19 19 CYS N N 19 119.788 119.788 120.500 -0.712 19535 2863 1 12 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.726 0.146 19535 2864 1 12 . 1 1 19 19 CYS C C 19 174.188 174.188 175.654 -1.466 19535 2865 1 12 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.623 -3.497 19535 2866 1 12 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.175 6.994 19535 2867 1 12 . 1 1 19 19 CYS H H 19 8.370 8.370 8.711 -0.341 19535 2868 1 12 . 1 1 20 20 CYS N N 20 123.247 123.247 124.264 -1.017 19535 2869 1 12 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.280 0.328 19535 2870 1 12 . 1 1 20 20 CYS C C 20 175.514 175.514 174.873 0.641 19535 2871 1 12 . 1 1 20 20 CYS CA C 20 57.344 57.344 61.205 -3.861 19535 2872 1 12 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.491 11.720 19535 2873 1 12 . 1 1 20 20 CYS H H 20 9.556 9.556 8.911 0.645 19535 2874 1 12 . 1 1 21 21 GLY N N 21 109.083 109.083 105.000 4.083 19535 2875 1 12 . 1 1 21 21 GLY C C 21 171.945 171.945 173.172 -1.227 19535 2876 1 12 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.708 1.409 19535 2877 1 12 . 1 1 21 21 GLY H H 21 8.968 8.968 7.893 1.075 19535 2878 1 12 . 1 1 22 22 SER N N 22 121.727 121.727 114.813 6.914 19535 2879 1 12 . 1 1 22 22 SER HA H 22 4.798 4.798 4.697 0.101 19535 2880 1 12 . 1 1 22 22 SER C C 22 170.670 170.670 174.714 -4.044 19535 2881 1 12 . 1 1 22 22 SER CA C 22 57.668 57.668 57.712 -0.044 19535 2882 1 12 . 1 1 22 22 SER CB C 22 66.662 66.662 64.486 2.176 19535 2883 1 12 . 1 1 22 22 SER H H 22 9.116 9.116 8.125 0.991 19535 2884 1 12 . 1 1 23 23 CYS N N 23 123.558 123.558 124.102 -0.544 19535 2885 1 12 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.686 0.260 19535 2886 1 12 . 1 1 23 23 CYS C C 23 171.894 171.894 175.480 -3.586 19535 2887 1 12 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.621 -3.756 19535 2888 1 12 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.874 12.340 19535 2889 1 12 . 1 1 23 23 CYS H H 23 8.848 8.848 8.845 0.003 19535 2890 1 12 . 1 1 24 24 LEU N N 24 131.578 131.578 127.591 3.987 19535 2891 1 12 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.639 0.107 19535 2892 1 12 . 1 1 24 24 LEU C C 24 175.871 175.871 175.978 -0.107 19535 2893 1 12 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.831 0.770 19535 2894 1 12 . 1 1 24 24 LEU CB C 24 43.222 43.222 43.760 -0.538 19535 2895 1 12 . 1 1 24 24 LEU H H 24 8.582 8.582 8.636 -0.054 19535 2896 1 12 . 1 1 25 25 CYS N N 25 122.657 122.657 125.074 -2.417 19535 2897 1 12 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.598 0.734 19535 2898 1 12 . 1 1 25 25 CYS C C 25 173.806 173.806 175.318 -1.512 19535 2899 1 12 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.140 -3.573 19535 2900 1 12 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.187 19.108 19535 2901 1 12 . 1 1 25 25 CYS H H 25 8.832 8.832 8.886 -0.054 19535 2902 1 12 . 1 1 26 26 SER N N 26 117.664 117.664 119.948 -2.284 19535 2903 1 12 . 1 1 26 26 SER HA H 26 4.648 4.648 4.602 0.046 19535 2904 1 12 . 1 1 26 26 SER C C 26 173.194 173.194 174.940 -1.746 19535 2905 1 12 . 1 1 26 26 SER CA C 26 58.458 58.458 58.191 0.267 19535 2906 1 12 . 1 1 26 26 SER CB C 26 64.218 64.218 64.128 0.090 19535 2907 1 12 . 1 1 26 26 SER H H 26 8.550 8.550 8.581 -0.031 19535 2908 1 12 . 1 1 27 27 ASN N N 27 120.609 120.609 124.103 -3.494 19535 2909 1 12 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.782 0.172 19535 2910 1 12 . 1 1 27 27 ASN C C 27 174.341 174.341 175.855 -1.514 19535 2911 1 12 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.377 1.121 19535 2912 1 12 . 1 1 27 27 ASN CB C 27 39.401 39.401 38.225 1.176 19535 2913 1 12 . 1 1 27 27 ASN H H 27 8.663 8.663 8.612 0.051 19535 2914 1 12 . 1 1 28 28 GLY N N 28 109.128 109.128 109.873 -0.745 19535 2915 1 12 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.176 1.117 19535 2916 1 12 . 1 1 28 28 GLY H H 28 8.232 8.232 8.135 0.097 19535 2917 1 12 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.394 0.179 19535 2918 1 12 . 1 1 29 29 PRO C C 29 176.100 176.100 176.190 -0.090 19535 2919 1 12 . 1 1 29 29 PRO CA C 29 63.446 63.446 62.817 0.629 19535 2920 1 12 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.329 -0.188 19535 2921 1 12 . 1 1 30 30 ILE N N 30 120.101 120.101 123.158 -3.057 19535 2922 1 12 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.380 -0.122 19535 2923 1 12 . 1 1 30 30 ILE C C 30 174.928 174.928 175.786 -0.858 19535 2924 1 12 . 1 1 30 30 ILE CA C 30 61.164 61.164 59.701 1.463 19535 2925 1 12 . 1 1 30 30 ILE CB C 30 39.008 39.008 36.169 2.840 19535 2926 1 12 . 1 1 30 30 ILE H H 30 8.059 8.059 8.359 -0.300 19535 2927 1 12 . 1 1 31 31 ALA N N 31 127.003 127.003 130.804 -3.801 19535 2928 1 12 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.407 0.025 19535 2929 1 12 . 1 1 31 31 ALA C C 31 176.355 176.355 177.082 -0.727 19535 2930 1 12 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.823 0.073 19535 2931 1 12 . 1 1 31 31 ALA CB C 31 19.465 19.465 20.264 -0.799 19535 2932 1 12 . 1 1 31 31 ALA H H 31 8.303 8.303 8.759 -0.456 19535 2933 1 12 . 1 1 32 32 ARG N N 32 118.980 118.980 117.924 1.056 19535 2934 1 12 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.824 -0.345 19535 2935 1 12 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.550 0.043 19535 2936 1 12 . 1 1 32 32 ARG CB C 32 30.351 30.351 29.733 0.618 19535 2937 1 12 . 1 1 32 32 ARG H H 32 7.910 7.910 8.207 -0.297 19535 2938 1 12 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.785 -0.396 19535 2939 1 12 . 1 1 33 33 PRO C C 33 175.947 175.947 176.332 -0.385 19535 2940 1 12 . 1 1 33 33 PRO CA C 33 64.559 64.559 63.883 0.676 19535 2941 1 12 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.916 0.019 19535 2942 1 12 . 1 1 34 34 TRP N N 34 116.547 116.547 118.555 -2.008 19535 2943 1 12 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.606 0.164 19535 2944 1 12 . 1 1 34 34 TRP C C 34 175.488 175.488 177.612 -2.124 19535 2945 1 12 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.453 -0.566 19535 2946 1 12 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.303 -0.715 19535 2947 1 12 . 1 1 34 34 TRP H H 34 7.479 7.479 8.387 -0.908 19535 2948 1 12 . 1 1 35 35 GLU N N 35 120.618 120.618 117.154 3.464 19535 2949 1 12 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.454 -0.072 19535 2950 1 12 . 1 1 35 35 GLU C C 35 174.902 174.902 176.654 -1.752 19535 2951 1 12 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.183 -0.616 19535 2952 1 12 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.426 -2.106 19535 2953 1 12 . 1 1 35 35 GLU H H 35 7.817 7.817 7.827 -0.010 19535 2954 1 12 . 1 1 36 36 MET N N 36 119.553 119.553 116.737 2.816 19535 2955 1 12 . 1 1 36 36 MET HA H 36 4.535 4.535 4.798 -0.263 19535 2956 1 12 . 1 1 36 36 MET C C 36 175.182 175.182 174.960 0.222 19535 2957 1 12 . 1 1 36 36 MET CA C 36 56.026 56.026 54.648 1.378 19535 2958 1 12 . 1 1 36 36 MET CB C 36 33.032 33.032 34.121 -1.089 19535 2959 1 12 . 1 1 36 36 MET H H 36 8.132 8.132 7.894 0.238 19535 2960 1 12 . 1 1 37 37 MET N N 37 120.609 120.609 125.468 -4.859 19535 2961 1 12 . 1 1 37 37 MET HA H 37 4.629 4.629 4.584 0.045 19535 2962 1 12 . 1 1 37 37 MET C C 37 175.081 175.081 175.826 -0.745 19535 2963 1 12 . 1 1 37 37 MET CA C 37 56.043 56.043 54.690 1.353 19535 2964 1 12 . 1 1 37 37 MET CB C 37 33.041 33.041 31.823 1.218 19535 2965 1 12 . 1 1 37 37 MET H H 37 8.289 8.289 8.743 -0.454 19535 2966 1 12 . 1 1 38 38 VAL N N 38 119.594 119.594 121.775 -2.181 19535 2967 1 12 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.376 -0.038 19535 2968 1 12 . 1 1 38 38 VAL C C 38 175.335 175.335 175.576 -0.241 19535 2969 1 12 . 1 1 38 38 VAL CA C 38 62.647 62.647 61.601 1.046 19535 2970 1 12 . 1 1 38 38 VAL CB C 38 32.887 32.887 31.092 1.795 19535 2971 1 12 . 1 1 38 38 VAL H H 38 8.054 8.054 8.013 0.041 19535 2972 1 12 . 1 1 39 39 GLY N N 39 111.351 111.351 108.001 3.350 19535 2973 1 12 . 1 1 39 39 GLY C C 39 172.429 172.429 174.215 -1.786 19535 2974 1 12 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.609 0.864 19535 2975 1 12 . 1 1 39 39 GLY H H 39 8.329 8.329 8.248 0.081 19535 2976 1 12 . 1 1 40 40 ASN N N 40 118.075 118.075 119.298 -1.223 19535 2977 1 12 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.783 0.162 19535 2978 1 12 . 1 1 40 40 ASN C C 40 173.984 173.984 174.005 -0.021 19535 2979 1 12 . 1 1 40 40 ASN CA C 40 53.754 53.754 53.008 0.746 19535 2980 1 12 . 1 1 40 40 ASN CB C 40 39.972 39.972 40.947 -0.974 19535 2981 1 12 . 1 1 40 40 ASN H H 40 8.359 8.359 7.752 0.607 19535 2982 1 12 . 1 1 41 41 CYS N N 41 120.609 120.609 118.630 1.979 19535 2983 1 12 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.719 0.819 19535 2984 1 12 . 1 1 41 41 CYS C C 41 172.689 172.689 173.774 -1.085 19535 2985 1 12 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.387 -2.070 19535 2986 1 12 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.166 20.243 19535 2987 1 12 . 1 1 41 41 CYS H H 41 8.653 8.653 8.653 -0.000 19535 2988 1 12 . 1 1 42 42 MET N N 42 120.998 120.998 121.087 -0.089 19535 2989 1 12 . 1 1 42 42 MET HA H 42 5.164 5.164 4.797 0.367 19535 2990 1 12 . 1 1 42 42 MET C C 42 175.208 175.208 175.477 -0.269 19535 2991 1 12 . 1 1 42 42 MET CA C 42 54.853 54.853 53.313 1.540 19535 2992 1 12 . 1 1 42 42 MET CB C 42 37.960 37.960 37.131 0.829 19535 2993 1 12 . 1 1 42 42 MET H H 42 8.967 8.967 8.405 0.562 19535 2994 1 12 . 1 1 43 43 CYS N N 43 122.297 122.297 118.598 3.699 19535 2995 1 12 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.408 1.097 19535 2996 1 12 . 1 1 43 43 CYS C C 43 175.820 175.820 175.004 0.816 19535 2997 1 12 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.175 -6.681 19535 2998 1 12 . 1 1 43 43 CYS CB C 43 35.707 35.707 27.114 8.593 19535 2999 1 12 . 1 1 43 43 CYS H H 43 9.478 9.478 8.301 1.177 19535 3000 1 12 . 1 1 44 44 GLY N N 44 114.932 114.932 108.738 6.194 19535 3001 1 12 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.983 1.642 19535 3002 1 12 . 1 1 44 44 GLY H H 44 9.712 9.712 7.706 2.006 19535 3003 1 12 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.444 0.172 19535 3004 1 12 . 1 1 45 45 PRO C C 45 175.386 175.386 176.518 -1.132 19535 3005 1 12 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.578 0.362 19535 3006 1 12 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.691 -0.467 19535 3007 1 12 . 1 1 46 46 LYS N N 46 121.021 121.021 123.174 -2.153 19535 3008 1 12 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.278 -0.000 19535 3009 1 12 . 1 1 46 46 LYS C C 46 174.902 174.902 176.246 -1.344 19535 3010 1 12 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.246 0.561 19535 3011 1 12 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.395 1.138 19535 3012 1 12 . 1 1 46 46 LYS H H 46 8.421 8.421 8.483 -0.062 19535 3013 1 13 . 1 1 2 2 LYS N N 2 122.024 122.024 123.932 -1.908 19535 3014 1 13 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.325 0.204 19535 3015 1 13 . 1 1 2 2 LYS C C 2 175.284 175.284 176.723 -1.439 19535 3016 1 13 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.535 0.223 19535 3017 1 13 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.041 0.313 19535 3018 1 13 . 1 1 2 2 LYS H H 2 8.776 8.776 7.917 0.859 19535 3019 1 13 . 1 1 3 3 GLU N N 3 122.436 122.436 125.438 -3.002 19535 3020 1 13 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.538 0.066 19535 3021 1 13 . 1 1 3 3 GLU C C 3 174.367 174.367 175.976 -1.609 19535 3022 1 13 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.763 0.158 19535 3023 1 13 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.708 0.601 19535 3024 1 13 . 1 1 3 3 GLU H H 3 8.583 8.583 8.651 -0.068 19535 3025 1 13 . 1 1 4 4 CYS N N 4 117.664 117.664 119.249 -1.585 19535 3026 1 13 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.616 0.370 19535 3027 1 13 . 1 1 4 4 CYS C C 4 172.658 172.658 175.008 -2.350 19535 3028 1 13 . 1 1 4 4 CYS CA C 4 54.150 54.150 57.757 -3.607 19535 3029 1 13 . 1 1 4 4 CYS CB C 4 42.390 42.390 29.170 13.220 19535 3030 1 13 . 1 1 4 4 CYS H H 4 8.165 8.165 8.782 -0.617 19535 3031 1 13 . 1 1 5 5 MET N N 5 118.071 118.071 119.794 -1.723 19535 3032 1 13 . 1 1 5 5 MET HA H 5 4.863 4.863 4.873 -0.010 19535 3033 1 13 . 1 1 5 5 MET C C 5 175.055 175.055 176.126 -1.071 19535 3034 1 13 . 1 1 5 5 MET CA C 5 55.789 55.789 54.383 1.405 19535 3035 1 13 . 1 1 5 5 MET CB C 5 34.599 34.599 35.088 -0.489 19535 3036 1 13 . 1 1 5 5 MET H H 5 9.075 9.075 8.644 0.431 19535 3037 1 13 . 1 1 6 6 THR N N 6 116.953 116.953 113.006 3.947 19535 3038 1 13 . 1 1 6 6 THR HA H 6 4.224 4.224 4.524 -0.300 19535 3039 1 13 . 1 1 6 6 THR C C 6 174.188 174.188 174.040 0.148 19535 3040 1 13 . 1 1 6 6 THR CA C 6 61.777 61.777 60.941 0.836 19535 3041 1 13 . 1 1 6 6 THR CB C 6 70.305 70.305 69.705 0.600 19535 3042 1 13 . 1 1 6 6 THR H H 6 8.492 8.492 8.413 0.079 19535 3043 1 13 . 1 1 7 7 ASP N N 7 123.270 123.270 117.431 5.839 19535 3044 1 13 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.196 -0.100 19535 3045 1 13 . 1 1 7 7 ASP C C 7 175.284 175.284 177.054 -1.770 19535 3046 1 13 . 1 1 7 7 ASP CA C 7 55.824 55.824 53.931 1.893 19535 3047 1 13 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.568 -1.357 19535 3048 1 13 . 1 1 7 7 ASP H H 7 8.643 8.643 8.333 0.310 19535 3049 1 13 . 1 1 8 8 GLY N N 8 111.423 111.423 110.068 1.355 19535 3050 1 13 . 1 1 8 8 GLY C C 8 173.117 173.117 174.652 -1.535 19535 3051 1 13 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.022 0.078 19535 3052 1 13 . 1 1 8 8 GLY H H 8 9.329 9.329 8.450 0.879 19535 3053 1 13 . 1 1 9 9 THR N N 9 116.646 116.646 119.879 -3.233 19535 3054 1 13 . 1 1 9 9 THR HA H 9 4.320 4.320 4.409 -0.089 19535 3055 1 13 . 1 1 9 9 THR C C 9 172.913 172.913 174.581 -1.668 19535 3056 1 13 . 1 1 9 9 THR CA C 9 63.312 63.312 62.095 1.217 19535 3057 1 13 . 1 1 9 9 THR CB C 9 70.010 70.010 69.569 0.441 19535 3058 1 13 . 1 1 9 9 THR H H 9 7.695 7.695 7.462 0.233 19535 3059 1 13 . 1 1 10 10 VAL N N 10 127.413 127.413 127.767 -0.354 19535 3060 1 13 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.649 0.575 19535 3061 1 13 . 1 1 10 10 VAL C C 10 173.194 173.194 176.011 -2.817 19535 3062 1 13 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.656 -0.198 19535 3063 1 13 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.704 0.321 19535 3064 1 13 . 1 1 10 10 VAL H H 10 8.605 8.605 8.589 0.016 19535 3065 1 13 . 1 1 11 11 CYS N N 11 120.712 120.712 123.048 -2.336 19535 3066 1 13 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.976 0.008 19535 3067 1 13 . 1 1 11 11 CYS C C 11 169.701 169.701 172.792 -3.091 19535 3068 1 13 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.231 -2.443 19535 3069 1 13 . 1 1 11 11 CYS CB C 11 49.168 49.168 31.082 18.086 19535 3070 1 13 . 1 1 11 11 CYS H H 11 7.743 7.743 8.140 -0.397 19535 3071 1 13 . 1 1 12 12 TYR N N 12 117.867 117.867 118.598 -0.731 19535 3072 1 13 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.831 0.136 19535 3073 1 13 . 1 1 12 12 TYR C C 12 175.577 175.577 176.619 -1.042 19535 3074 1 13 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.108 -0.370 19535 3075 1 13 . 1 1 12 12 TYR CB C 12 40.474 40.474 41.836 -1.362 19535 3076 1 13 . 1 1 12 12 TYR H H 12 8.324 8.324 8.350 -0.026 19535 3077 1 13 . 1 1 13 13 ILE N N 13 122.840 122.840 124.177 -1.337 19535 3078 1 13 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.954 0.121 19535 3079 1 13 . 1 1 13 13 ILE C C 13 175.629 175.629 176.608 -0.979 19535 3080 1 13 . 1 1 13 13 ILE CA C 13 62.842 62.842 63.015 -0.173 19535 3081 1 13 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.693 0.479 19535 3082 1 13 . 1 1 13 13 ILE H H 13 8.502 8.502 8.773 -0.271 19535 3083 1 13 . 1 1 14 14 HIS N N 14 117.156 117.156 118.127 -0.971 19535 3084 1 13 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.797 0.101 19535 3085 1 13 . 1 1 14 14 HIS C C 14 173.219 173.219 174.667 -1.448 19535 3086 1 13 . 1 1 14 14 HIS CA C 14 55.863 55.863 56.082 -0.219 19535 3087 1 13 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.910 -1.562 19535 3088 1 13 . 1 1 14 14 HIS H H 14 8.437 8.437 8.206 0.231 19535 3089 1 13 . 1 1 15 15 ASN N N 15 117.243 117.243 118.528 -1.285 19535 3090 1 13 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.697 0.240 19535 3091 1 13 . 1 1 15 15 ASN C C 15 174.010 174.010 174.234 -0.224 19535 3092 1 13 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.152 -0.029 19535 3093 1 13 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.713 0.033 19535 3094 1 13 . 1 1 15 15 ASN H H 15 7.934 7.934 7.690 0.244 19535 3095 1 13 . 1 1 16 16 HIS N N 16 118.072 118.072 116.399 1.673 19535 3096 1 13 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.185 0.450 19535 3097 1 13 . 1 1 16 16 HIS C C 16 173.449 173.449 173.538 -0.089 19535 3098 1 13 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.047 -0.407 19535 3099 1 13 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.416 1.035 19535 3100 1 13 . 1 1 16 16 HIS H H 16 8.402 8.402 8.631 -0.229 19535 3101 1 13 . 1 1 17 17 ASN N N 17 120.144 120.144 117.869 2.275 19535 3102 1 13 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.880 0.035 19535 3103 1 13 . 1 1 17 17 ASN C C 17 173.857 173.857 174.466 -0.609 19535 3104 1 13 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.427 0.090 19535 3105 1 13 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.926 -0.771 19535 3106 1 13 . 1 1 17 17 ASN H H 17 8.567 8.567 7.982 0.585 19535 3107 1 13 . 1 1 18 18 ASP N N 18 121.570 121.570 124.921 -3.351 19535 3108 1 13 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.927 0.155 19535 3109 1 13 . 1 1 18 18 ASP C C 18 175.565 175.565 174.108 1.457 19535 3110 1 13 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.708 -0.371 19535 3111 1 13 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.974 -1.939 19535 3112 1 13 . 1 1 18 18 ASP H H 18 8.623 8.623 8.653 -0.030 19535 3113 1 13 . 1 1 19 19 CYS N N 19 119.788 119.788 120.604 -0.816 19535 3114 1 13 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.711 0.161 19535 3115 1 13 . 1 1 19 19 CYS C C 19 174.188 174.188 175.604 -1.416 19535 3116 1 13 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.427 -3.301 19535 3117 1 13 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.159 7.010 19535 3118 1 13 . 1 1 19 19 CYS H H 19 8.370 8.370 8.728 -0.358 19535 3119 1 13 . 1 1 20 20 CYS N N 20 123.247 123.247 124.298 -1.051 19535 3120 1 13 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.314 0.294 19535 3121 1 13 . 1 1 20 20 CYS C C 20 175.514 175.514 175.390 0.124 19535 3122 1 13 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.531 -3.187 19535 3123 1 13 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.340 11.871 19535 3124 1 13 . 1 1 20 20 CYS H H 20 9.556 9.556 9.048 0.508 19535 3125 1 13 . 1 1 21 21 GLY N N 21 109.083 109.083 106.133 2.950 19535 3126 1 13 . 1 1 21 21 GLY C C 21 171.945 171.945 173.166 -1.221 19535 3127 1 13 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.705 1.412 19535 3128 1 13 . 1 1 21 21 GLY H H 21 8.968 8.968 7.938 1.030 19535 3129 1 13 . 1 1 22 22 SER N N 22 121.727 121.727 114.789 6.938 19535 3130 1 13 . 1 1 22 22 SER HA H 22 4.798 4.798 4.688 0.110 19535 3131 1 13 . 1 1 22 22 SER C C 22 170.670 170.670 174.606 -3.936 19535 3132 1 13 . 1 1 22 22 SER CA C 22 57.668 57.668 58.134 -0.466 19535 3133 1 13 . 1 1 22 22 SER CB C 22 66.662 66.662 64.641 2.021 19535 3134 1 13 . 1 1 22 22 SER H H 22 9.116 9.116 8.132 0.984 19535 3135 1 13 . 1 1 23 23 CYS N N 23 123.558 123.558 124.131 -0.573 19535 3136 1 13 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.676 0.270 19535 3137 1 13 . 1 1 23 23 CYS C C 23 171.894 171.894 175.499 -3.605 19535 3138 1 13 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.615 -3.750 19535 3139 1 13 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.677 12.537 19535 3140 1 13 . 1 1 23 23 CYS H H 23 8.848 8.848 8.902 -0.054 19535 3141 1 13 . 1 1 24 24 LEU N N 24 131.578 131.578 127.605 3.973 19535 3142 1 13 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.643 0.103 19535 3143 1 13 . 1 1 24 24 LEU C C 24 175.871 175.871 175.989 -0.118 19535 3144 1 13 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.836 0.765 19535 3145 1 13 . 1 1 24 24 LEU CB C 24 43.222 43.222 43.726 -0.504 19535 3146 1 13 . 1 1 24 24 LEU H H 24 8.582 8.582 8.611 -0.029 19535 3147 1 13 . 1 1 25 25 CYS N N 25 122.657 122.657 124.654 -1.997 19535 3148 1 13 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.647 0.685 19535 3149 1 13 . 1 1 25 25 CYS C C 25 173.806 173.806 175.495 -1.689 19535 3150 1 13 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.517 -3.950 19535 3151 1 13 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.840 18.455 19535 3152 1 13 . 1 1 25 25 CYS H H 25 8.832 8.832 9.017 -0.185 19535 3153 1 13 . 1 1 26 26 SER N N 26 117.664 117.664 120.000 -2.336 19535 3154 1 13 . 1 1 26 26 SER HA H 26 4.648 4.648 4.490 0.158 19535 3155 1 13 . 1 1 26 26 SER C C 26 173.194 173.194 174.165 -0.971 19535 3156 1 13 . 1 1 26 26 SER CA C 26 58.458 58.458 58.284 0.174 19535 3157 1 13 . 1 1 26 26 SER CB C 26 64.218 64.218 63.433 0.785 19535 3158 1 13 . 1 1 26 26 SER H H 26 8.550 8.550 8.566 -0.016 19535 3159 1 13 . 1 1 27 27 ASN N N 27 120.609 120.609 126.978 -6.369 19535 3160 1 13 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.892 0.062 19535 3161 1 13 . 1 1 27 27 ASN C C 27 174.341 174.341 175.775 -1.434 19535 3162 1 13 . 1 1 27 27 ASN CA C 27 53.498 53.498 51.992 1.506 19535 3163 1 13 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.837 -0.436 19535 3164 1 13 . 1 1 27 27 ASN H H 27 8.663 8.663 8.564 0.099 19535 3165 1 13 . 1 1 28 28 GLY N N 28 109.128 109.128 110.169 -1.041 19535 3166 1 13 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.496 0.797 19535 3167 1 13 . 1 1 28 28 GLY H H 28 8.232 8.232 7.812 0.420 19535 3168 1 13 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.375 0.198 19535 3169 1 13 . 1 1 29 29 PRO C C 29 176.100 176.100 175.905 0.195 19535 3170 1 13 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.141 0.305 19535 3171 1 13 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.664 -0.523 19535 3172 1 13 . 1 1 30 30 ILE N N 30 120.101 120.101 116.223 3.878 19535 3173 1 13 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.502 -0.244 19535 3174 1 13 . 1 1 30 30 ILE C C 30 174.928 174.928 175.248 -0.320 19535 3175 1 13 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.444 0.720 19535 3176 1 13 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.395 0.613 19535 3177 1 13 . 1 1 30 30 ILE H H 30 8.059 8.059 8.015 0.044 19535 3178 1 13 . 1 1 31 31 ALA N N 31 127.003 127.003 130.588 -3.585 19535 3179 1 13 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.456 -0.024 19535 3180 1 13 . 1 1 31 31 ALA C C 31 176.355 176.355 177.845 -1.490 19535 3181 1 13 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.717 0.179 19535 3182 1 13 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.926 -0.461 19535 3183 1 13 . 1 1 31 31 ALA H H 31 8.303 8.303 8.696 -0.393 19535 3184 1 13 . 1 1 32 32 ARG N N 32 118.980 118.980 118.922 0.058 19535 3185 1 13 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.674 -0.195 19535 3186 1 13 . 1 1 32 32 ARG CA C 32 53.593 53.593 54.200 -0.607 19535 3187 1 13 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.877 -0.526 19535 3188 1 13 . 1 1 32 32 ARG H H 32 7.910 7.910 8.380 -0.470 19535 3189 1 13 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.717 -0.328 19535 3190 1 13 . 1 1 33 33 PRO C C 33 175.947 175.947 176.141 -0.194 19535 3191 1 13 . 1 1 33 33 PRO CA C 33 64.559 64.559 63.932 0.627 19535 3192 1 13 . 1 1 33 33 PRO CB C 33 31.935 31.935 32.040 -0.105 19535 3193 1 13 . 1 1 34 34 TRP N N 34 116.547 116.547 118.477 -1.930 19535 3194 1 13 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.596 0.174 19535 3195 1 13 . 1 1 34 34 TRP C C 34 175.488 175.488 177.933 -2.445 19535 3196 1 13 . 1 1 34 34 TRP CA C 34 57.887 57.887 57.983 -0.096 19535 3197 1 13 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.289 -0.701 19535 3198 1 13 . 1 1 34 34 TRP H H 34 7.479 7.479 8.381 -0.902 19535 3199 1 13 . 1 1 35 35 GLU N N 35 120.618 120.618 118.973 1.645 19535 3200 1 13 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.305 0.077 19535 3201 1 13 . 1 1 35 35 GLU C C 35 174.902 174.902 176.682 -1.780 19535 3202 1 13 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.448 -0.881 19535 3203 1 13 . 1 1 35 35 GLU CB C 35 29.320 29.320 30.560 -1.240 19535 3204 1 13 . 1 1 35 35 GLU H H 35 7.817 7.817 7.930 -0.113 19535 3205 1 13 . 1 1 36 36 MET N N 36 119.553 119.553 115.576 3.977 19535 3206 1 13 . 1 1 36 36 MET HA H 36 4.535 4.535 4.644 -0.109 19535 3207 1 13 . 1 1 36 36 MET C C 36 175.182 175.182 174.057 1.125 19535 3208 1 13 . 1 1 36 36 MET CA C 36 56.026 56.026 55.478 0.548 19535 3209 1 13 . 1 1 36 36 MET CB C 36 33.032 33.032 34.091 -1.059 19535 3210 1 13 . 1 1 36 36 MET H H 36 8.132 8.132 7.473 0.659 19535 3211 1 13 . 1 1 37 37 MET N N 37 120.609 120.609 125.358 -4.749 19535 3212 1 13 . 1 1 37 37 MET HA H 37 4.629 4.629 4.904 -0.275 19535 3213 1 13 . 1 1 37 37 MET C C 37 175.081 175.081 175.075 0.006 19535 3214 1 13 . 1 1 37 37 MET CA C 37 56.043 56.043 54.530 1.513 19535 3215 1 13 . 1 1 37 37 MET CB C 37 33.041 33.041 33.413 -0.372 19535 3216 1 13 . 1 1 37 37 MET H H 37 8.289 8.289 8.477 -0.188 19535 3217 1 13 . 1 1 38 38 VAL N N 38 119.594 119.594 121.121 -1.527 19535 3218 1 13 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.498 -0.160 19535 3219 1 13 . 1 1 38 38 VAL C C 38 175.335 175.335 175.203 0.132 19535 3220 1 13 . 1 1 38 38 VAL CA C 38 62.647 62.647 60.981 1.666 19535 3221 1 13 . 1 1 38 38 VAL CB C 38 32.887 32.887 33.097 -0.210 19535 3222 1 13 . 1 1 38 38 VAL H H 38 8.054 8.054 8.426 -0.372 19535 3223 1 13 . 1 1 39 39 GLY N N 39 111.351 111.351 112.346 -0.995 19535 3224 1 13 . 1 1 39 39 GLY C C 39 172.429 172.429 173.749 -1.320 19535 3225 1 13 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.990 0.483 19535 3226 1 13 . 1 1 39 39 GLY H H 39 8.329 8.329 8.557 -0.228 19535 3227 1 13 . 1 1 40 40 ASN N N 40 118.075 118.075 118.686 -0.611 19535 3228 1 13 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.863 0.082 19535 3229 1 13 . 1 1 40 40 ASN C C 40 173.984 173.984 173.665 0.319 19535 3230 1 13 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.181 1.573 19535 3231 1 13 . 1 1 40 40 ASN CB C 40 39.972 39.972 41.522 -1.550 19535 3232 1 13 . 1 1 40 40 ASN H H 40 8.359 8.359 7.746 0.613 19535 3233 1 13 . 1 1 41 41 CYS N N 41 120.609 120.609 118.527 2.082 19535 3234 1 13 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.787 0.751 19535 3235 1 13 . 1 1 41 41 CYS C C 41 172.689 172.689 173.934 -1.245 19535 3236 1 13 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.199 -1.882 19535 3237 1 13 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.236 20.172 19535 3238 1 13 . 1 1 41 41 CYS H H 41 8.653 8.653 8.675 -0.022 19535 3239 1 13 . 1 1 42 42 MET N N 42 120.998 120.998 121.205 -0.207 19535 3240 1 13 . 1 1 42 42 MET HA H 42 5.164 5.164 4.755 0.409 19535 3241 1 13 . 1 1 42 42 MET C C 42 175.208 175.208 174.877 0.331 19535 3242 1 13 . 1 1 42 42 MET CA C 42 54.853 54.853 54.522 0.331 19535 3243 1 13 . 1 1 42 42 MET CB C 42 37.960 37.960 37.601 0.359 19535 3244 1 13 . 1 1 42 42 MET H H 42 8.967 8.967 8.510 0.457 19535 3245 1 13 . 1 1 43 43 CYS N N 43 122.297 122.297 118.739 3.558 19535 3246 1 13 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.347 1.158 19535 3247 1 13 . 1 1 43 43 CYS C C 43 175.820 175.820 175.131 0.689 19535 3248 1 13 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.362 -6.868 19535 3249 1 13 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.625 9.082 19535 3250 1 13 . 1 1 43 43 CYS H H 43 9.478 9.478 8.292 1.186 19535 3251 1 13 . 1 1 44 44 GLY N N 44 114.932 114.932 109.390 5.542 19535 3252 1 13 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.757 1.869 19535 3253 1 13 . 1 1 44 44 GLY H H 44 9.712 9.712 7.982 1.730 19535 3254 1 13 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.476 0.140 19535 3255 1 13 . 1 1 45 45 PRO C C 45 175.386 175.386 176.038 -0.652 19535 3256 1 13 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.758 0.182 19535 3257 1 13 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.464 -0.239 19535 3258 1 13 . 1 1 46 46 LYS N N 46 121.021 121.021 123.067 -2.046 19535 3259 1 13 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.433 -0.155 19535 3260 1 13 . 1 1 46 46 LYS C C 46 174.902 174.902 176.224 -1.322 19535 3261 1 13 . 1 1 46 46 LYS CA C 46 56.807 56.807 55.767 1.040 19535 3262 1 13 . 1 1 46 46 LYS CB C 46 33.533 33.533 33.488 0.045 19535 3263 1 13 . 1 1 46 46 LYS H H 46 8.421 8.421 8.300 0.121 19535 3264 1 14 . 1 1 2 2 LYS N N 2 122.024 122.024 123.596 -1.572 19535 3265 1 14 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.567 -0.038 19535 3266 1 14 . 1 1 2 2 LYS C C 2 175.284 175.284 176.089 -0.805 19535 3267 1 14 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.343 0.415 19535 3268 1 14 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.857 -0.503 19535 3269 1 14 . 1 1 2 2 LYS H H 2 8.776 8.776 8.526 0.250 19535 3270 1 14 . 1 1 3 3 GLU N N 3 122.436 122.436 123.330 -0.894 19535 3271 1 14 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.360 0.244 19535 3272 1 14 . 1 1 3 3 GLU C C 3 174.367 174.367 176.635 -2.268 19535 3273 1 14 . 1 1 3 3 GLU CA C 3 55.921 55.921 56.532 -0.611 19535 3274 1 14 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.453 0.856 19535 3275 1 14 . 1 1 3 3 GLU H H 3 8.583 8.583 8.630 -0.047 19535 3276 1 14 . 1 1 4 4 CYS N N 4 117.664 117.664 121.075 -3.411 19535 3277 1 14 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.776 0.210 19535 3278 1 14 . 1 1 4 4 CYS C C 4 172.658 172.658 174.856 -2.198 19535 3279 1 14 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.693 -2.543 19535 3280 1 14 . 1 1 4 4 CYS CB C 4 42.390 42.390 29.117 13.273 19535 3281 1 14 . 1 1 4 4 CYS H H 4 8.165 8.165 8.261 -0.096 19535 3282 1 14 . 1 1 5 5 MET N N 5 118.071 118.071 119.244 -1.173 19535 3283 1 14 . 1 1 5 5 MET HA H 5 4.863 4.863 4.859 0.004 19535 3284 1 14 . 1 1 5 5 MET C C 5 175.055 175.055 176.034 -0.979 19535 3285 1 14 . 1 1 5 5 MET CA C 5 55.789 55.789 54.475 1.314 19535 3286 1 14 . 1 1 5 5 MET CB C 5 34.599 34.599 35.301 -0.702 19535 3287 1 14 . 1 1 5 5 MET H H 5 9.075 9.075 8.781 0.294 19535 3288 1 14 . 1 1 6 6 THR N N 6 116.953 116.953 113.308 3.645 19535 3289 1 14 . 1 1 6 6 THR HA H 6 4.224 4.224 4.552 -0.328 19535 3290 1 14 . 1 1 6 6 THR C C 6 174.188 174.188 174.015 0.173 19535 3291 1 14 . 1 1 6 6 THR CA C 6 61.777 61.777 60.797 0.980 19535 3292 1 14 . 1 1 6 6 THR CB C 6 70.305 70.305 69.877 0.428 19535 3293 1 14 . 1 1 6 6 THR H H 6 8.492 8.492 8.435 0.057 19535 3294 1 14 . 1 1 7 7 ASP N N 7 123.270 123.270 116.668 6.602 19535 3295 1 14 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.239 -0.143 19535 3296 1 14 . 1 1 7 7 ASP C C 7 175.284 175.284 176.900 -1.616 19535 3297 1 14 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.313 1.510 19535 3298 1 14 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.738 -1.527 19535 3299 1 14 . 1 1 7 7 ASP H H 7 8.643 8.643 8.237 0.406 19535 3300 1 14 . 1 1 8 8 GLY N N 8 111.423 111.423 109.975 1.448 19535 3301 1 14 . 1 1 8 8 GLY C C 8 173.117 173.117 174.653 -1.536 19535 3302 1 14 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.039 0.061 19535 3303 1 14 . 1 1 8 8 GLY H H 8 9.329 9.329 8.395 0.934 19535 3304 1 14 . 1 1 9 9 THR N N 9 116.646 116.646 119.506 -2.860 19535 3305 1 14 . 1 1 9 9 THR HA H 9 4.320 4.320 4.536 -0.216 19535 3306 1 14 . 1 1 9 9 THR C C 9 172.913 172.913 174.563 -1.650 19535 3307 1 14 . 1 1 9 9 THR CA C 9 63.312 63.312 62.268 1.044 19535 3308 1 14 . 1 1 9 9 THR CB C 9 70.010 70.010 69.477 0.533 19535 3309 1 14 . 1 1 9 9 THR H H 9 7.695 7.695 7.494 0.201 19535 3310 1 14 . 1 1 10 10 VAL N N 10 127.413 127.413 126.838 0.575 19535 3311 1 14 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.598 0.626 19535 3312 1 14 . 1 1 10 10 VAL C C 10 173.194 173.194 175.990 -2.796 19535 3313 1 14 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.294 0.165 19535 3314 1 14 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.697 0.328 19535 3315 1 14 . 1 1 10 10 VAL H H 10 8.605 8.605 8.642 -0.037 19535 3316 1 14 . 1 1 11 11 CYS N N 11 120.712 120.712 123.291 -2.579 19535 3317 1 14 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.892 0.092 19535 3318 1 14 . 1 1 11 11 CYS C C 11 169.701 169.701 172.659 -2.958 19535 3319 1 14 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.708 -2.920 19535 3320 1 14 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.885 18.283 19535 3321 1 14 . 1 1 11 11 CYS H H 11 7.743 7.743 7.956 -0.213 19535 3322 1 14 . 1 1 12 12 TYR N N 12 117.867 117.867 119.670 -1.803 19535 3323 1 14 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.853 0.114 19535 3324 1 14 . 1 1 12 12 TYR C C 12 175.577 175.577 176.256 -0.679 19535 3325 1 14 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.022 -0.284 19535 3326 1 14 . 1 1 12 12 TYR CB C 12 40.474 40.474 41.971 -1.497 19535 3327 1 14 . 1 1 12 12 TYR H H 12 8.324 8.324 8.229 0.095 19535 3328 1 14 . 1 1 13 13 ILE N N 13 122.840 122.840 124.001 -1.161 19535 3329 1 14 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.956 0.119 19535 3330 1 14 . 1 1 13 13 ILE C C 13 175.629 175.629 176.520 -0.891 19535 3331 1 14 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.817 0.025 19535 3332 1 14 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.641 0.532 19535 3333 1 14 . 1 1 13 13 ILE H H 13 8.502 8.502 8.837 -0.335 19535 3334 1 14 . 1 1 14 14 HIS N N 14 117.156 117.156 118.016 -0.860 19535 3335 1 14 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.758 0.140 19535 3336 1 14 . 1 1 14 14 HIS C C 14 173.219 173.219 174.798 -1.579 19535 3337 1 14 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.879 -0.016 19535 3338 1 14 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.949 -1.601 19535 3339 1 14 . 1 1 14 14 HIS H H 14 8.437 8.437 8.225 0.212 19535 3340 1 14 . 1 1 15 15 ASN N N 15 117.243 117.243 118.191 -0.948 19535 3341 1 14 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.820 0.117 19535 3342 1 14 . 1 1 15 15 ASN C C 15 174.010 174.010 174.137 -0.127 19535 3343 1 14 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.302 -0.179 19535 3344 1 14 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.276 0.470 19535 3345 1 14 . 1 1 15 15 ASN H H 15 7.934 7.934 7.734 0.200 19535 3346 1 14 . 1 1 16 16 HIS N N 16 118.072 118.072 114.703 3.369 19535 3347 1 14 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.170 0.465 19535 3348 1 14 . 1 1 16 16 HIS C C 16 173.449 173.449 173.808 -0.359 19535 3349 1 14 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.304 -0.665 19535 3350 1 14 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.934 0.517 19535 3351 1 14 . 1 1 16 16 HIS H H 16 8.402 8.402 8.582 -0.180 19535 3352 1 14 . 1 1 17 17 ASN N N 17 120.144 120.144 118.101 2.043 19535 3353 1 14 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.813 0.102 19535 3354 1 14 . 1 1 17 17 ASN C C 17 173.857 173.857 174.874 -1.017 19535 3355 1 14 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.542 -0.026 19535 3356 1 14 . 1 1 17 17 ASN CB C 17 39.155 39.155 38.998 0.157 19535 3357 1 14 . 1 1 17 17 ASN H H 17 8.567 8.567 7.920 0.647 19535 3358 1 14 . 1 1 18 18 ASP N N 18 121.570 121.570 125.930 -4.360 19535 3359 1 14 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.837 0.245 19535 3360 1 14 . 1 1 18 18 ASP C C 18 175.565 175.565 174.465 1.100 19535 3361 1 14 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.519 -0.182 19535 3362 1 14 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.834 -1.799 19535 3363 1 14 . 1 1 18 18 ASP H H 18 8.623 8.623 8.673 -0.050 19535 3364 1 14 . 1 1 19 19 CYS N N 19 119.788 119.788 120.606 -0.818 19535 3365 1 14 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.716 0.156 19535 3366 1 14 . 1 1 19 19 CYS C C 19 174.188 174.188 175.600 -1.412 19535 3367 1 14 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.476 -3.350 19535 3368 1 14 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.136 7.033 19535 3369 1 14 . 1 1 19 19 CYS H H 19 8.370 8.370 8.727 -0.357 19535 3370 1 14 . 1 1 20 20 CYS N N 20 123.247 123.247 124.377 -1.130 19535 3371 1 14 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.303 0.305 19535 3372 1 14 . 1 1 20 20 CYS C C 20 175.514 175.514 175.405 0.109 19535 3373 1 14 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.600 -3.256 19535 3374 1 14 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.324 11.887 19535 3375 1 14 . 1 1 20 20 CYS H H 20 9.556 9.556 9.010 0.546 19535 3376 1 14 . 1 1 21 21 GLY N N 21 109.083 109.083 106.165 2.918 19535 3377 1 14 . 1 1 21 21 GLY C C 21 171.945 171.945 173.059 -1.114 19535 3378 1 14 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.625 1.492 19535 3379 1 14 . 1 1 21 21 GLY H H 21 8.968 8.968 7.907 1.061 19535 3380 1 14 . 1 1 22 22 SER N N 22 121.727 121.727 114.821 6.906 19535 3381 1 14 . 1 1 22 22 SER HA H 22 4.798 4.798 4.651 0.147 19535 3382 1 14 . 1 1 22 22 SER C C 22 170.670 170.670 174.509 -3.839 19535 3383 1 14 . 1 1 22 22 SER CA C 22 57.668 57.668 57.867 -0.199 19535 3384 1 14 . 1 1 22 22 SER CB C 22 66.662 66.662 64.623 2.039 19535 3385 1 14 . 1 1 22 22 SER H H 22 9.116 9.116 8.149 0.967 19535 3386 1 14 . 1 1 23 23 CYS N N 23 123.558 123.558 124.091 -0.533 19535 3387 1 14 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.673 0.273 19535 3388 1 14 . 1 1 23 23 CYS C C 23 171.894 171.894 175.414 -3.520 19535 3389 1 14 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.553 -3.688 19535 3390 1 14 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.595 12.619 19535 3391 1 14 . 1 1 23 23 CYS H H 23 8.848 8.848 8.884 -0.036 19535 3392 1 14 . 1 1 24 24 LEU N N 24 131.578 131.578 127.533 4.045 19535 3393 1 14 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.653 0.093 19535 3394 1 14 . 1 1 24 24 LEU C C 24 175.871 175.871 175.979 -0.108 19535 3395 1 14 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.811 0.790 19535 3396 1 14 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.072 -0.850 19535 3397 1 14 . 1 1 24 24 LEU H H 24 8.582 8.582 8.628 -0.046 19535 3398 1 14 . 1 1 25 25 CYS N N 25 122.657 122.657 124.828 -2.171 19535 3399 1 14 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.601 0.731 19535 3400 1 14 . 1 1 25 25 CYS C C 25 173.806 173.806 175.401 -1.595 19535 3401 1 14 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.301 -3.735 19535 3402 1 14 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.578 18.717 19535 3403 1 14 . 1 1 25 25 CYS H H 25 8.832 8.832 8.982 -0.150 19535 3404 1 14 . 1 1 26 26 SER N N 26 117.664 117.664 119.892 -2.228 19535 3405 1 14 . 1 1 26 26 SER HA H 26 4.648 4.648 4.387 0.261 19535 3406 1 14 . 1 1 26 26 SER C C 26 173.194 173.194 174.345 -1.151 19535 3407 1 14 . 1 1 26 26 SER CA C 26 58.458 58.458 58.545 -0.087 19535 3408 1 14 . 1 1 26 26 SER CB C 26 64.218 64.218 63.705 0.513 19535 3409 1 14 . 1 1 26 26 SER H H 26 8.550 8.550 8.421 0.129 19535 3410 1 14 . 1 1 27 27 ASN N N 27 120.609 120.609 125.980 -5.371 19535 3411 1 14 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.840 0.114 19535 3412 1 14 . 1 1 27 27 ASN C C 27 174.341 174.341 175.440 -1.099 19535 3413 1 14 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.553 0.945 19535 3414 1 14 . 1 1 27 27 ASN CB C 27 39.401 39.401 38.920 0.481 19535 3415 1 14 . 1 1 27 27 ASN H H 27 8.663 8.663 8.490 0.173 19535 3416 1 14 . 1 1 28 28 GLY N N 28 109.128 109.128 109.253 -0.125 19535 3417 1 14 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.319 0.974 19535 3418 1 14 . 1 1 28 28 GLY H H 28 8.232 8.232 7.954 0.278 19535 3419 1 14 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.395 0.178 19535 3420 1 14 . 1 1 29 29 PRO C C 29 176.100 176.100 176.141 -0.041 19535 3421 1 14 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.157 0.289 19535 3422 1 14 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.109 0.031 19535 3423 1 14 . 1 1 30 30 ILE N N 30 120.101 120.101 117.555 2.546 19535 3424 1 14 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.558 -0.300 19535 3425 1 14 . 1 1 30 30 ILE C C 30 174.928 174.928 175.406 -0.478 19535 3426 1 14 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.372 0.792 19535 3427 1 14 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.977 0.031 19535 3428 1 14 . 1 1 30 30 ILE H H 30 8.059 8.059 8.037 0.022 19535 3429 1 14 . 1 1 31 31 ALA N N 31 127.003 127.003 130.551 -3.548 19535 3430 1 14 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.424 0.008 19535 3431 1 14 . 1 1 31 31 ALA C C 31 176.355 176.355 177.407 -1.052 19535 3432 1 14 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.724 0.172 19535 3433 1 14 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.800 -0.335 19535 3434 1 14 . 1 1 31 31 ALA H H 31 8.303 8.303 8.780 -0.477 19535 3435 1 14 . 1 1 32 32 ARG N N 32 118.980 118.980 118.581 0.399 19535 3436 1 14 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.731 -0.252 19535 3437 1 14 . 1 1 32 32 ARG CA C 32 53.593 53.593 54.116 -0.523 19535 3438 1 14 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.787 -0.436 19535 3439 1 14 . 1 1 32 32 ARG H H 32 7.910 7.910 8.157 -0.247 19535 3440 1 14 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.769 -0.380 19535 3441 1 14 . 1 1 33 33 PRO C C 33 175.947 175.947 176.910 -0.963 19535 3442 1 14 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.148 0.411 19535 3443 1 14 . 1 1 33 33 PRO CB C 33 31.935 31.935 32.056 -0.121 19535 3444 1 14 . 1 1 34 34 TRP N N 34 116.547 116.547 117.885 -1.338 19535 3445 1 14 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.592 0.178 19535 3446 1 14 . 1 1 34 34 TRP C C 34 175.488 175.488 177.458 -1.970 19535 3447 1 14 . 1 1 34 34 TRP CA C 34 57.887 57.887 59.018 -1.131 19535 3448 1 14 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.234 -0.646 19535 3449 1 14 . 1 1 34 34 TRP H H 34 7.479 7.479 8.248 -0.769 19535 3450 1 14 . 1 1 35 35 GLU N N 35 120.618 120.618 116.957 3.661 19535 3451 1 14 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.477 -0.095 19535 3452 1 14 . 1 1 35 35 GLU C C 35 174.902 174.902 177.113 -2.211 19535 3453 1 14 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.385 -0.818 19535 3454 1 14 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.779 -2.459 19535 3455 1 14 . 1 1 35 35 GLU H H 35 7.817 7.817 7.840 -0.023 19535 3456 1 14 . 1 1 36 36 MET N N 36 119.553 119.553 117.246 2.307 19535 3457 1 14 . 1 1 36 36 MET HA H 36 4.535 4.535 4.739 -0.204 19535 3458 1 14 . 1 1 36 36 MET C C 36 175.182 175.182 174.869 0.313 19535 3459 1 14 . 1 1 36 36 MET CA C 36 56.026 56.026 54.244 1.782 19535 3460 1 14 . 1 1 36 36 MET CB C 36 33.032 33.032 32.546 0.486 19535 3461 1 14 . 1 1 36 36 MET H H 36 8.132 8.132 7.651 0.481 19535 3462 1 14 . 1 1 37 37 MET N N 37 120.609 120.609 123.663 -3.054 19535 3463 1 14 . 1 1 37 37 MET HA H 37 4.629 4.629 4.358 0.271 19535 3464 1 14 . 1 1 37 37 MET C C 37 175.081 175.081 176.165 -1.084 19535 3465 1 14 . 1 1 37 37 MET CA C 37 56.043 56.043 56.636 -0.593 19535 3466 1 14 . 1 1 37 37 MET CB C 37 33.041 33.041 32.279 0.762 19535 3467 1 14 . 1 1 37 37 MET H H 37 8.289 8.289 8.363 -0.074 19535 3468 1 14 . 1 1 38 38 VAL N N 38 119.594 119.594 120.450 -0.856 19535 3469 1 14 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.464 -0.126 19535 3470 1 14 . 1 1 38 38 VAL C C 38 175.335 175.335 174.972 0.363 19535 3471 1 14 . 1 1 38 38 VAL CA C 38 62.647 62.647 59.923 2.724 19535 3472 1 14 . 1 1 38 38 VAL CB C 38 32.887 32.887 31.394 1.493 19535 3473 1 14 . 1 1 38 38 VAL H H 38 8.054 8.054 7.809 0.245 19535 3474 1 14 . 1 1 39 39 GLY N N 39 111.351 111.351 107.724 3.627 19535 3475 1 14 . 1 1 39 39 GLY C C 39 172.429 172.429 173.845 -1.416 19535 3476 1 14 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.124 1.349 19535 3477 1 14 . 1 1 39 39 GLY H H 39 8.329 8.329 8.176 0.153 19535 3478 1 14 . 1 1 40 40 ASN N N 40 118.075 118.075 117.962 0.113 19535 3479 1 14 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.860 0.085 19535 3480 1 14 . 1 1 40 40 ASN C C 40 173.984 173.984 174.181 -0.197 19535 3481 1 14 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.251 1.503 19535 3482 1 14 . 1 1 40 40 ASN CB C 40 39.972 39.972 40.996 -1.024 19535 3483 1 14 . 1 1 40 40 ASN H H 40 8.359 8.359 7.673 0.686 19535 3484 1 14 . 1 1 41 41 CYS N N 41 120.609 120.609 119.258 1.351 19535 3485 1 14 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.721 0.817 19535 3486 1 14 . 1 1 41 41 CYS C C 41 172.689 172.689 173.815 -1.126 19535 3487 1 14 . 1 1 41 41 CYS CA C 41 56.317 56.317 57.999 -1.682 19535 3488 1 14 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.967 19.442 19535 3489 1 14 . 1 1 41 41 CYS H H 41 8.653 8.653 8.685 -0.032 19535 3490 1 14 . 1 1 42 42 MET N N 42 120.998 120.998 120.740 0.258 19535 3491 1 14 . 1 1 42 42 MET HA H 42 5.164 5.164 4.729 0.435 19535 3492 1 14 . 1 1 42 42 MET C C 42 175.208 175.208 174.849 0.359 19535 3493 1 14 . 1 1 42 42 MET CA C 42 54.853 54.853 54.492 0.361 19535 3494 1 14 . 1 1 42 42 MET CB C 42 37.960 37.960 37.648 0.312 19535 3495 1 14 . 1 1 42 42 MET H H 42 8.967 8.967 8.455 0.512 19535 3496 1 14 . 1 1 43 43 CYS N N 43 122.297 122.297 118.413 3.884 19535 3497 1 14 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.359 1.146 19535 3498 1 14 . 1 1 43 43 CYS C C 43 175.820 175.820 175.078 0.742 19535 3499 1 14 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.294 -6.800 19535 3500 1 14 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.826 8.880 19535 3501 1 14 . 1 1 43 43 CYS H H 43 9.478 9.478 8.259 1.219 19535 3502 1 14 . 1 1 44 44 GLY N N 44 114.932 114.932 108.915 6.017 19535 3503 1 14 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.882 1.743 19535 3504 1 14 . 1 1 44 44 GLY H H 44 9.712 9.712 7.843 1.869 19535 3505 1 14 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.509 0.107 19535 3506 1 14 . 1 1 45 45 PRO C C 45 175.386 175.386 176.233 -0.847 19535 3507 1 14 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.732 0.208 19535 3508 1 14 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.618 -0.393 19535 3509 1 14 . 1 1 46 46 LYS N N 46 121.021 121.021 121.783 -0.762 19535 3510 1 14 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.424 -0.146 19535 3511 1 14 . 1 1 46 46 LYS C C 46 174.902 174.902 175.556 -0.654 19535 3512 1 14 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.439 0.368 19535 3513 1 14 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.481 1.052 19535 3514 1 14 . 1 1 46 46 LYS H H 46 8.421 8.421 8.353 0.068 19535 3515 1 15 . 1 1 2 2 LYS N N 2 122.024 122.024 122.804 -0.780 19535 3516 1 15 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.447 0.082 19535 3517 1 15 . 1 1 2 2 LYS C C 2 175.284 175.284 175.016 0.268 19535 3518 1 15 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.938 -0.180 19535 3519 1 15 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.449 -0.095 19535 3520 1 15 . 1 1 2 2 LYS H H 2 8.776 8.776 8.137 0.639 19535 3521 1 15 . 1 1 3 3 GLU N N 3 122.436 122.436 122.073 0.363 19535 3522 1 15 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.595 0.009 19535 3523 1 15 . 1 1 3 3 GLU C C 3 174.367 174.367 175.931 -1.564 19535 3524 1 15 . 1 1 3 3 GLU CA C 3 55.921 55.921 56.056 -0.135 19535 3525 1 15 . 1 1 3 3 GLU CB C 3 29.309 29.309 29.908 -0.599 19535 3526 1 15 . 1 1 3 3 GLU H H 3 8.583 8.583 8.620 -0.037 19535 3527 1 15 . 1 1 4 4 CYS N N 4 117.664 117.664 118.909 -1.245 19535 3528 1 15 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.994 -0.008 19535 3529 1 15 . 1 1 4 4 CYS C C 4 172.658 172.658 174.051 -1.393 19535 3530 1 15 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.061 -1.911 19535 3531 1 15 . 1 1 4 4 CYS CB C 4 42.390 42.390 30.057 12.333 19535 3532 1 15 . 1 1 4 4 CYS H H 4 8.165 8.165 8.590 -0.425 19535 3533 1 15 . 1 1 5 5 MET N N 5 118.071 118.071 119.927 -1.856 19535 3534 1 15 . 1 1 5 5 MET HA H 5 4.863 4.863 4.860 0.003 19535 3535 1 15 . 1 1 5 5 MET C C 5 175.055 175.055 175.932 -0.877 19535 3536 1 15 . 1 1 5 5 MET CA C 5 55.789 55.789 54.532 1.257 19535 3537 1 15 . 1 1 5 5 MET CB C 5 34.599 34.599 35.067 -0.468 19535 3538 1 15 . 1 1 5 5 MET H H 5 9.075 9.075 8.757 0.318 19535 3539 1 15 . 1 1 6 6 THR N N 6 116.953 116.953 113.142 3.811 19535 3540 1 15 . 1 1 6 6 THR HA H 6 4.224 4.224 4.487 -0.263 19535 3541 1 15 . 1 1 6 6 THR C C 6 174.188 174.188 173.971 0.217 19535 3542 1 15 . 1 1 6 6 THR CA C 6 61.777 61.777 60.913 0.864 19535 3543 1 15 . 1 1 6 6 THR CB C 6 70.305 70.305 69.779 0.526 19535 3544 1 15 . 1 1 6 6 THR H H 6 8.492 8.492 8.406 0.086 19535 3545 1 15 . 1 1 7 7 ASP N N 7 123.270 123.270 117.303 5.967 19535 3546 1 15 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.189 -0.093 19535 3547 1 15 . 1 1 7 7 ASP C C 7 175.284 175.284 177.066 -1.782 19535 3548 1 15 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.061 1.763 19535 3549 1 15 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.709 -1.498 19535 3550 1 15 . 1 1 7 7 ASP H H 7 8.643 8.643 8.332 0.311 19535 3551 1 15 . 1 1 8 8 GLY N N 8 111.423 111.423 110.295 1.128 19535 3552 1 15 . 1 1 8 8 GLY C C 8 173.117 173.117 174.745 -1.628 19535 3553 1 15 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.069 0.031 19535 3554 1 15 . 1 1 8 8 GLY H H 8 9.329 9.329 8.402 0.927 19535 3555 1 15 . 1 1 9 9 THR N N 9 116.646 116.646 119.835 -3.189 19535 3556 1 15 . 1 1 9 9 THR HA H 9 4.320 4.320 4.504 -0.184 19535 3557 1 15 . 1 1 9 9 THR C C 9 172.913 172.913 174.527 -1.614 19535 3558 1 15 . 1 1 9 9 THR CA C 9 63.312 63.312 62.436 0.876 19535 3559 1 15 . 1 1 9 9 THR CB C 9 70.010 70.010 69.425 0.585 19535 3560 1 15 . 1 1 9 9 THR H H 9 7.695 7.695 7.473 0.222 19535 3561 1 15 . 1 1 10 10 VAL N N 10 127.413 127.413 127.054 0.359 19535 3562 1 15 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.632 0.592 19535 3563 1 15 . 1 1 10 10 VAL C C 10 173.194 173.194 175.808 -2.614 19535 3564 1 15 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.371 0.088 19535 3565 1 15 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.763 0.262 19535 3566 1 15 . 1 1 10 10 VAL H H 10 8.605 8.605 8.574 0.031 19535 3567 1 15 . 1 1 11 11 CYS N N 11 120.712 120.712 123.411 -2.699 19535 3568 1 15 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.858 0.126 19535 3569 1 15 . 1 1 11 11 CYS C C 11 169.701 169.701 173.278 -3.577 19535 3570 1 15 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.600 -2.812 19535 3571 1 15 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.895 18.273 19535 3572 1 15 . 1 1 11 11 CYS H H 11 7.743 7.743 8.193 -0.450 19535 3573 1 15 . 1 1 12 12 TYR N N 12 117.867 117.867 120.357 -2.490 19535 3574 1 15 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.833 0.134 19535 3575 1 15 . 1 1 12 12 TYR C C 12 175.577 175.577 176.819 -1.242 19535 3576 1 15 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.295 -0.557 19535 3577 1 15 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.136 -1.662 19535 3578 1 15 . 1 1 12 12 TYR H H 12 8.324 8.324 8.273 0.051 19535 3579 1 15 . 1 1 13 13 ILE N N 13 122.840 122.840 124.140 -1.300 19535 3580 1 15 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.942 0.133 19535 3581 1 15 . 1 1 13 13 ILE C C 13 175.629 175.629 176.518 -0.889 19535 3582 1 15 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.992 -0.150 19535 3583 1 15 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.652 0.520 19535 3584 1 15 . 1 1 13 13 ILE H H 13 8.502 8.502 8.823 -0.321 19535 3585 1 15 . 1 1 14 14 HIS N N 14 117.156 117.156 118.278 -1.122 19535 3586 1 15 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.779 0.119 19535 3587 1 15 . 1 1 14 14 HIS C C 14 173.219 173.219 174.605 -1.386 19535 3588 1 15 . 1 1 14 14 HIS CA C 14 55.863 55.863 56.044 -0.181 19535 3589 1 15 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.382 -1.034 19535 3590 1 15 . 1 1 14 14 HIS H H 14 8.437 8.437 8.317 0.120 19535 3591 1 15 . 1 1 15 15 ASN N N 15 117.243 117.243 118.106 -0.863 19535 3592 1 15 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.830 0.107 19535 3593 1 15 . 1 1 15 15 ASN C C 15 174.010 174.010 174.036 -0.026 19535 3594 1 15 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.191 -0.068 19535 3595 1 15 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.833 -0.087 19535 3596 1 15 . 1 1 15 15 ASN H H 15 7.934 7.934 7.804 0.130 19535 3597 1 15 . 1 1 16 16 HIS N N 16 118.072 118.072 117.146 0.926 19535 3598 1 15 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.176 0.459 19535 3599 1 15 . 1 1 16 16 HIS C C 16 173.449 173.449 173.659 -0.210 19535 3600 1 15 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.153 -0.513 19535 3601 1 15 . 1 1 16 16 HIS CB C 16 28.451 28.451 28.404 0.047 19535 3602 1 15 . 1 1 16 16 HIS H H 16 8.402 8.402 8.416 -0.014 19535 3603 1 15 . 1 1 17 17 ASN N N 17 120.144 120.144 117.460 2.684 19535 3604 1 15 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.697 0.218 19535 3605 1 15 . 1 1 17 17 ASN C C 17 173.857 173.857 174.370 -0.513 19535 3606 1 15 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.931 -0.414 19535 3607 1 15 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.404 -0.249 19535 3608 1 15 . 1 1 17 17 ASN H H 17 8.567 8.567 7.845 0.722 19535 3609 1 15 . 1 1 18 18 ASP N N 18 121.570 121.570 124.843 -3.273 19535 3610 1 15 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.832 0.250 19535 3611 1 15 . 1 1 18 18 ASP C C 18 175.565 175.565 174.260 1.305 19535 3612 1 15 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.276 0.061 19535 3613 1 15 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.679 -1.644 19535 3614 1 15 . 1 1 18 18 ASP H H 18 8.623 8.623 8.528 0.095 19535 3615 1 15 . 1 1 19 19 CYS N N 19 119.788 119.788 121.301 -1.513 19535 3616 1 15 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.699 0.173 19535 3617 1 15 . 1 1 19 19 CYS C C 19 174.188 174.188 175.484 -1.296 19535 3618 1 15 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.564 -3.438 19535 3619 1 15 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.090 7.079 19535 3620 1 15 . 1 1 19 19 CYS H H 19 8.370 8.370 8.616 -0.246 19535 3621 1 15 . 1 1 20 20 CYS N N 20 123.247 123.247 124.334 -1.087 19535 3622 1 15 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.298 0.310 19535 3623 1 15 . 1 1 20 20 CYS C C 20 175.514 175.514 175.390 0.124 19535 3624 1 15 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.604 -3.260 19535 3625 1 15 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.352 11.859 19535 3626 1 15 . 1 1 20 20 CYS H H 20 9.556 9.556 9.021 0.535 19535 3627 1 15 . 1 1 21 21 GLY N N 21 109.083 109.083 106.212 2.871 19535 3628 1 15 . 1 1 21 21 GLY C C 21 171.945 171.945 173.232 -1.287 19535 3629 1 15 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.814 1.303 19535 3630 1 15 . 1 1 21 21 GLY H H 21 8.968 8.968 7.944 1.024 19535 3631 1 15 . 1 1 22 22 SER N N 22 121.727 121.727 114.581 7.146 19535 3632 1 15 . 1 1 22 22 SER HA H 22 4.798 4.798 4.729 0.069 19535 3633 1 15 . 1 1 22 22 SER C C 22 170.670 170.670 174.737 -4.067 19535 3634 1 15 . 1 1 22 22 SER CA C 22 57.668 57.668 57.572 0.096 19535 3635 1 15 . 1 1 22 22 SER CB C 22 66.662 66.662 64.673 1.989 19535 3636 1 15 . 1 1 22 22 SER H H 22 9.116 9.116 8.123 0.993 19535 3637 1 15 . 1 1 23 23 CYS N N 23 123.558 123.558 123.754 -0.196 19535 3638 1 15 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.734 0.212 19535 3639 1 15 . 1 1 23 23 CYS C C 23 171.894 171.894 175.474 -3.580 19535 3640 1 15 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.594 -3.729 19535 3641 1 15 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.843 12.371 19535 3642 1 15 . 1 1 23 23 CYS H H 23 8.848 8.848 8.824 0.024 19535 3643 1 15 . 1 1 24 24 LEU N N 24 131.578 131.578 127.394 4.184 19535 3644 1 15 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.660 0.086 19535 3645 1 15 . 1 1 24 24 LEU C C 24 175.871 175.871 175.911 -0.040 19535 3646 1 15 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.799 0.802 19535 3647 1 15 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.287 -1.065 19535 3648 1 15 . 1 1 24 24 LEU H H 24 8.582 8.582 8.630 -0.048 19535 3649 1 15 . 1 1 25 25 CYS N N 25 122.657 122.657 124.538 -1.881 19535 3650 1 15 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.810 0.522 19535 3651 1 15 . 1 1 25 25 CYS C C 25 173.806 173.806 175.682 -1.876 19535 3652 1 15 . 1 1 25 25 CYS CA C 25 54.567 54.567 57.696 -3.129 19535 3653 1 15 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.474 18.821 19535 3654 1 15 . 1 1 25 25 CYS H H 25 8.832 8.832 8.928 -0.096 19535 3655 1 15 . 1 1 26 26 SER N N 26 117.664 117.664 119.921 -2.257 19535 3656 1 15 . 1 1 26 26 SER HA H 26 4.648 4.648 4.436 0.212 19535 3657 1 15 . 1 1 26 26 SER C C 26 173.194 173.194 174.759 -1.565 19535 3658 1 15 . 1 1 26 26 SER CA C 26 58.458 58.458 58.993 -0.535 19535 3659 1 15 . 1 1 26 26 SER CB C 26 64.218 64.218 63.984 0.234 19535 3660 1 15 . 1 1 26 26 SER H H 26 8.550 8.550 8.497 0.053 19535 3661 1 15 . 1 1 27 27 ASN N N 27 120.609 120.609 123.358 -2.749 19535 3662 1 15 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.863 0.091 19535 3663 1 15 . 1 1 27 27 ASN C C 27 174.341 174.341 175.908 -1.567 19535 3664 1 15 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.107 1.391 19535 3665 1 15 . 1 1 27 27 ASN CB C 27 39.401 39.401 38.713 0.688 19535 3666 1 15 . 1 1 27 27 ASN H H 27 8.663 8.663 8.540 0.123 19535 3667 1 15 . 1 1 28 28 GLY N N 28 109.128 109.128 108.992 0.136 19535 3668 1 15 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.199 1.094 19535 3669 1 15 . 1 1 28 28 GLY H H 28 8.232 8.232 7.886 0.346 19535 3670 1 15 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.390 0.183 19535 3671 1 15 . 1 1 29 29 PRO C C 29 176.100 176.100 176.203 -0.103 19535 3672 1 15 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.158 0.288 19535 3673 1 15 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.265 -0.124 19535 3674 1 15 . 1 1 30 30 ILE N N 30 120.101 120.101 122.721 -2.620 19535 3675 1 15 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.319 -0.061 19535 3676 1 15 . 1 1 30 30 ILE C C 30 174.928 174.928 175.876 -0.948 19535 3677 1 15 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.938 0.226 19535 3678 1 15 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.544 0.464 19535 3679 1 15 . 1 1 30 30 ILE H H 30 8.059 8.059 8.361 -0.302 19535 3680 1 15 . 1 1 31 31 ALA N N 31 127.003 127.003 130.647 -3.644 19535 3681 1 15 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.461 -0.029 19535 3682 1 15 . 1 1 31 31 ALA C C 31 176.355 176.355 177.194 -0.839 19535 3683 1 15 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.538 0.358 19535 3684 1 15 . 1 1 31 31 ALA CB C 31 19.465 19.465 20.002 -0.537 19535 3685 1 15 . 1 1 31 31 ALA H H 31 8.303 8.303 8.761 -0.458 19535 3686 1 15 . 1 1 32 32 ARG N N 32 118.980 118.980 119.636 -0.656 19535 3687 1 15 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.800 -0.321 19535 3688 1 15 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.920 -0.327 19535 3689 1 15 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.904 -0.553 19535 3690 1 15 . 1 1 32 32 ARG H H 32 7.910 7.910 8.214 -0.304 19535 3691 1 15 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.890 -0.501 19535 3692 1 15 . 1 1 33 33 PRO C C 33 175.947 175.947 176.911 -0.964 19535 3693 1 15 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.051 0.508 19535 3694 1 15 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.936 -0.001 19535 3695 1 15 . 1 1 34 34 TRP N N 34 116.547 116.547 120.060 -3.513 19535 3696 1 15 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.513 0.257 19535 3697 1 15 . 1 1 34 34 TRP C C 34 175.488 175.488 177.513 -2.025 19535 3698 1 15 . 1 1 34 34 TRP CA C 34 57.887 57.887 59.671 -1.784 19535 3699 1 15 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.444 -0.856 19535 3700 1 15 . 1 1 34 34 TRP H H 34 7.479 7.479 8.438 -0.959 19535 3701 1 15 . 1 1 35 35 GLU N N 35 120.618 120.618 117.363 3.255 19535 3702 1 15 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.480 -0.098 19535 3703 1 15 . 1 1 35 35 GLU C C 35 174.902 174.902 177.113 -2.211 19535 3704 1 15 . 1 1 35 35 GLU CA C 35 56.567 56.567 56.813 -0.246 19535 3705 1 15 . 1 1 35 35 GLU CB C 35 29.320 29.320 30.997 -1.677 19535 3706 1 15 . 1 1 35 35 GLU H H 35 7.817 7.817 7.822 -0.005 19535 3707 1 15 . 1 1 36 36 MET N N 36 119.553 119.553 121.364 -1.811 19535 3708 1 15 . 1 1 36 36 MET HA H 36 4.535 4.535 4.688 -0.153 19535 3709 1 15 . 1 1 36 36 MET C C 36 175.182 175.182 174.491 0.691 19535 3710 1 15 . 1 1 36 36 MET CA C 36 56.026 56.026 55.088 0.938 19535 3711 1 15 . 1 1 36 36 MET CB C 36 33.032 33.032 34.718 -1.686 19535 3712 1 15 . 1 1 36 36 MET H H 36 8.132 8.132 7.657 0.475 19535 3713 1 15 . 1 1 37 37 MET N N 37 120.609 120.609 125.522 -4.913 19535 3714 1 15 . 1 1 37 37 MET HA H 37 4.629 4.629 4.724 -0.095 19535 3715 1 15 . 1 1 37 37 MET C C 37 175.081 175.081 174.701 0.380 19535 3716 1 15 . 1 1 37 37 MET CA C 37 56.043 56.043 54.899 1.144 19535 3717 1 15 . 1 1 37 37 MET CB C 37 33.041 33.041 33.041 -0.000 19535 3718 1 15 . 1 1 37 37 MET H H 37 8.289 8.289 8.567 -0.278 19535 3719 1 15 . 1 1 38 38 VAL N N 38 119.594 119.594 126.089 -6.495 19535 3720 1 15 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.413 -0.075 19535 3721 1 15 . 1 1 38 38 VAL C C 38 175.335 175.335 174.594 0.741 19535 3722 1 15 . 1 1 38 38 VAL CA C 38 62.647 62.647 61.820 0.827 19535 3723 1 15 . 1 1 38 38 VAL CB C 38 32.887 32.887 33.169 -0.282 19535 3724 1 15 . 1 1 38 38 VAL H H 38 8.054 8.054 8.485 -0.431 19535 3725 1 15 . 1 1 39 39 GLY N N 39 111.351 111.351 114.579 -3.228 19535 3726 1 15 . 1 1 39 39 GLY C C 39 172.429 172.429 173.671 -1.242 19535 3727 1 15 . 1 1 39 39 GLY CA C 39 45.473 45.473 45.063 0.410 19535 3728 1 15 . 1 1 39 39 GLY H H 39 8.329 8.329 8.506 -0.177 19535 3729 1 15 . 1 1 40 40 ASN N N 40 118.075 118.075 119.077 -1.002 19535 3730 1 15 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.870 0.075 19535 3731 1 15 . 1 1 40 40 ASN C C 40 173.984 173.984 173.787 0.197 19535 3732 1 15 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.285 1.469 19535 3733 1 15 . 1 1 40 40 ASN CB C 40 39.972 39.972 41.044 -1.072 19535 3734 1 15 . 1 1 40 40 ASN H H 40 8.359 8.359 7.736 0.623 19535 3735 1 15 . 1 1 41 41 CYS N N 41 120.609 120.609 119.400 1.209 19535 3736 1 15 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.862 0.676 19535 3737 1 15 . 1 1 41 41 CYS C C 41 172.689 172.689 174.003 -1.314 19535 3738 1 15 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.174 -1.857 19535 3739 1 15 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.041 20.368 19535 3740 1 15 . 1 1 41 41 CYS H H 41 8.653 8.653 8.683 -0.030 19535 3741 1 15 . 1 1 42 42 MET N N 42 120.998 120.998 121.590 -0.592 19535 3742 1 15 . 1 1 42 42 MET HA H 42 5.164 5.164 4.764 0.400 19535 3743 1 15 . 1 1 42 42 MET C C 42 175.208 175.208 175.501 -0.293 19535 3744 1 15 . 1 1 42 42 MET CA C 42 54.853 54.853 53.866 0.987 19535 3745 1 15 . 1 1 42 42 MET CB C 42 37.960 37.960 36.734 1.226 19535 3746 1 15 . 1 1 42 42 MET H H 42 8.967 8.967 8.339 0.628 19535 3747 1 15 . 1 1 43 43 CYS N N 43 122.297 122.297 118.612 3.685 19535 3748 1 15 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.369 1.136 19535 3749 1 15 . 1 1 43 43 CYS C C 43 175.820 175.820 175.043 0.777 19535 3750 1 15 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.320 -6.826 19535 3751 1 15 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.829 8.878 19535 3752 1 15 . 1 1 43 43 CYS H H 43 9.478 9.478 8.251 1.227 19535 3753 1 15 . 1 1 44 44 GLY N N 44 114.932 114.932 109.313 5.619 19535 3754 1 15 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.990 1.635 19535 3755 1 15 . 1 1 44 44 GLY H H 44 9.712 9.712 7.938 1.774 19535 3756 1 15 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.448 0.168 19535 3757 1 15 . 1 1 45 45 PRO C C 45 175.386 175.386 176.399 -1.013 19535 3758 1 15 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.590 0.350 19535 3759 1 15 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.669 -0.444 19535 3760 1 15 . 1 1 46 46 LYS N N 46 121.021 121.021 122.712 -1.691 19535 3761 1 15 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.289 -0.011 19535 3762 1 15 . 1 1 46 46 LYS C C 46 174.902 174.902 176.201 -1.299 19535 3763 1 15 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.380 0.427 19535 3764 1 15 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.721 0.812 19535 3765 1 15 . 1 1 46 46 LYS H H 46 8.421 8.421 8.440 -0.019 19535 3766 1 16 . 1 1 2 2 LYS N N 2 122.024 122.024 123.753 -1.729 19535 3767 1 16 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.424 0.105 19535 3768 1 16 . 1 1 2 2 LYS C C 2 175.284 175.284 175.493 -0.209 19535 3769 1 16 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.481 0.277 19535 3770 1 16 . 1 1 2 2 LYS CB C 2 33.354 33.354 34.015 -0.661 19535 3771 1 16 . 1 1 2 2 LYS H H 2 8.776 8.776 8.230 0.546 19535 3772 1 16 . 1 1 3 3 GLU N N 3 122.436 122.436 122.420 0.016 19535 3773 1 16 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.630 -0.026 19535 3774 1 16 . 1 1 3 3 GLU C C 3 174.367 174.367 176.166 -1.799 19535 3775 1 16 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.820 0.101 19535 3776 1 16 . 1 1 3 3 GLU CB C 3 29.309 29.309 29.309 0.000 19535 3777 1 16 . 1 1 3 3 GLU H H 3 8.583 8.583 8.630 -0.047 19535 3778 1 16 . 1 1 4 4 CYS N N 4 117.664 117.664 120.798 -3.134 19535 3779 1 16 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.847 0.139 19535 3780 1 16 . 1 1 4 4 CYS C C 4 172.658 172.658 174.758 -2.100 19535 3781 1 16 . 1 1 4 4 CYS CA C 4 54.150 54.150 57.003 -2.853 19535 3782 1 16 . 1 1 4 4 CYS CB C 4 42.390 42.390 29.090 13.300 19535 3783 1 16 . 1 1 4 4 CYS H H 4 8.165 8.165 8.497 -0.332 19535 3784 1 16 . 1 1 5 5 MET N N 5 118.071 118.071 119.736 -1.665 19535 3785 1 16 . 1 1 5 5 MET HA H 5 4.863 4.863 4.853 0.010 19535 3786 1 16 . 1 1 5 5 MET C C 5 175.055 175.055 175.950 -0.895 19535 3787 1 16 . 1 1 5 5 MET CA C 5 55.789 55.789 54.462 1.327 19535 3788 1 16 . 1 1 5 5 MET CB C 5 34.599 34.599 35.187 -0.588 19535 3789 1 16 . 1 1 5 5 MET H H 5 9.075 9.075 8.707 0.368 19535 3790 1 16 . 1 1 6 6 THR N N 6 116.953 116.953 113.352 3.601 19535 3791 1 16 . 1 1 6 6 THR HA H 6 4.224 4.224 4.495 -0.271 19535 3792 1 16 . 1 1 6 6 THR C C 6 174.188 174.188 174.056 0.132 19535 3793 1 16 . 1 1 6 6 THR CA C 6 61.777 61.777 60.392 1.385 19535 3794 1 16 . 1 1 6 6 THR CB C 6 70.305 70.305 69.703 0.602 19535 3795 1 16 . 1 1 6 6 THR H H 6 8.492 8.492 8.445 0.047 19535 3796 1 16 . 1 1 7 7 ASP N N 7 123.270 123.270 117.620 5.650 19535 3797 1 16 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.187 -0.091 19535 3798 1 16 . 1 1 7 7 ASP C C 7 175.284 175.284 176.926 -1.642 19535 3799 1 16 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.501 1.323 19535 3800 1 16 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.897 -1.686 19535 3801 1 16 . 1 1 7 7 ASP H H 7 8.643 8.643 8.367 0.276 19535 3802 1 16 . 1 1 8 8 GLY N N 8 111.423 111.423 109.822 1.601 19535 3803 1 16 . 1 1 8 8 GLY C C 8 173.117 173.117 174.559 -1.442 19535 3804 1 16 . 1 1 8 8 GLY CA C 8 45.100 45.100 44.959 0.141 19535 3805 1 16 . 1 1 8 8 GLY H H 8 9.329 9.329 8.419 0.910 19535 3806 1 16 . 1 1 9 9 THR N N 9 116.646 116.646 119.612 -2.966 19535 3807 1 16 . 1 1 9 9 THR HA H 9 4.320 4.320 4.489 -0.169 19535 3808 1 16 . 1 1 9 9 THR C C 9 172.913 172.913 174.457 -1.544 19535 3809 1 16 . 1 1 9 9 THR CA C 9 63.312 63.312 62.278 1.034 19535 3810 1 16 . 1 1 9 9 THR CB C 9 70.010 70.010 69.562 0.448 19535 3811 1 16 . 1 1 9 9 THR H H 9 7.695 7.695 7.505 0.190 19535 3812 1 16 . 1 1 10 10 VAL N N 10 127.413 127.413 127.311 0.102 19535 3813 1 16 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.638 0.586 19535 3814 1 16 . 1 1 10 10 VAL C C 10 173.194 173.194 175.979 -2.785 19535 3815 1 16 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.586 -0.127 19535 3816 1 16 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.571 0.454 19535 3817 1 16 . 1 1 10 10 VAL H H 10 8.605 8.605 8.621 -0.016 19535 3818 1 16 . 1 1 11 11 CYS N N 11 120.712 120.712 122.776 -2.064 19535 3819 1 16 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.936 0.048 19535 3820 1 16 . 1 1 11 11 CYS C C 11 169.701 169.701 172.527 -2.826 19535 3821 1 16 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.532 -2.744 19535 3822 1 16 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.883 18.285 19535 3823 1 16 . 1 1 11 11 CYS H H 11 7.743 7.743 7.988 -0.245 19535 3824 1 16 . 1 1 12 12 TYR N N 12 117.867 117.867 119.493 -1.626 19535 3825 1 16 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.849 0.118 19535 3826 1 16 . 1 1 12 12 TYR C C 12 175.577 175.577 176.460 -0.883 19535 3827 1 16 . 1 1 12 12 TYR CA C 12 56.738 56.738 56.911 -0.173 19535 3828 1 16 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.121 -1.647 19535 3829 1 16 . 1 1 12 12 TYR H H 12 8.324 8.324 8.260 0.064 19535 3830 1 16 . 1 1 13 13 ILE N N 13 122.840 122.840 123.878 -1.038 19535 3831 1 16 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.948 0.127 19535 3832 1 16 . 1 1 13 13 ILE C C 13 175.629 175.629 176.585 -0.956 19535 3833 1 16 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.879 -0.037 19535 3834 1 16 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.697 0.475 19535 3835 1 16 . 1 1 13 13 ILE H H 13 8.502 8.502 8.839 -0.337 19535 3836 1 16 . 1 1 14 14 HIS N N 14 117.156 117.156 118.596 -1.440 19535 3837 1 16 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.765 0.133 19535 3838 1 16 . 1 1 14 14 HIS C C 14 173.219 173.219 174.561 -1.342 19535 3839 1 16 . 1 1 14 14 HIS CA C 14 55.863 55.863 56.003 -0.140 19535 3840 1 16 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.253 -0.905 19535 3841 1 16 . 1 1 14 14 HIS H H 14 8.437 8.437 8.334 0.103 19535 3842 1 16 . 1 1 15 15 ASN N N 15 117.243 117.243 118.075 -0.832 19535 3843 1 16 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.790 0.147 19535 3844 1 16 . 1 1 15 15 ASN C C 15 174.010 174.010 174.070 -0.060 19535 3845 1 16 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.127 -0.004 19535 3846 1 16 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.640 0.106 19535 3847 1 16 . 1 1 15 15 ASN H H 15 7.934 7.934 7.710 0.224 19535 3848 1 16 . 1 1 16 16 HIS N N 16 118.072 118.072 117.957 0.115 19535 3849 1 16 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.163 0.472 19535 3850 1 16 . 1 1 16 16 HIS C C 16 173.449 173.449 173.782 -0.333 19535 3851 1 16 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.483 -0.843 19535 3852 1 16 . 1 1 16 16 HIS CB C 16 28.451 28.451 28.218 0.234 19535 3853 1 16 . 1 1 16 16 HIS H H 16 8.402 8.402 8.458 -0.056 19535 3854 1 16 . 1 1 17 17 ASN N N 17 120.144 120.144 117.289 2.855 19535 3855 1 16 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.752 0.163 19535 3856 1 16 . 1 1 17 17 ASN C C 17 173.857 173.857 174.336 -0.479 19535 3857 1 16 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.959 -0.442 19535 3858 1 16 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.482 -0.327 19535 3859 1 16 . 1 1 17 17 ASN H H 17 8.567 8.567 7.869 0.698 19535 3860 1 16 . 1 1 18 18 ASP N N 18 121.570 121.570 125.100 -3.530 19535 3861 1 16 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.835 0.247 19535 3862 1 16 . 1 1 18 18 ASP C C 18 175.565 175.565 174.061 1.504 19535 3863 1 16 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.114 0.223 19535 3864 1 16 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.696 -1.661 19535 3865 1 16 . 1 1 18 18 ASP H H 18 8.623 8.623 8.557 0.066 19535 3866 1 16 . 1 1 19 19 CYS N N 19 119.788 119.788 121.174 -1.386 19535 3867 1 16 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.697 0.175 19535 3868 1 16 . 1 1 19 19 CYS C C 19 174.188 174.188 175.460 -1.272 19535 3869 1 16 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.438 -3.312 19535 3870 1 16 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.151 7.018 19535 3871 1 16 . 1 1 19 19 CYS H H 19 8.370 8.370 8.660 -0.290 19535 3872 1 16 . 1 1 20 20 CYS N N 20 123.247 123.247 122.929 0.318 19535 3873 1 16 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.233 0.375 19535 3874 1 16 . 1 1 20 20 CYS C C 20 175.514 175.514 175.457 0.057 19535 3875 1 16 . 1 1 20 20 CYS CA C 20 57.344 57.344 61.450 -4.106 19535 3876 1 16 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.566 11.645 19535 3877 1 16 . 1 1 20 20 CYS H H 20 9.556 9.556 8.863 0.693 19535 3878 1 16 . 1 1 21 21 GLY N N 21 109.083 109.083 105.236 3.847 19535 3879 1 16 . 1 1 21 21 GLY C C 21 171.945 171.945 173.080 -1.135 19535 3880 1 16 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.932 1.185 19535 3881 1 16 . 1 1 21 21 GLY H H 21 8.968 8.968 7.879 1.089 19535 3882 1 16 . 1 1 22 22 SER N N 22 121.727 121.727 114.797 6.930 19535 3883 1 16 . 1 1 22 22 SER HA H 22 4.798 4.798 4.693 0.105 19535 3884 1 16 . 1 1 22 22 SER C C 22 170.670 170.670 174.689 -4.019 19535 3885 1 16 . 1 1 22 22 SER CA C 22 57.668 57.668 57.732 -0.064 19535 3886 1 16 . 1 1 22 22 SER CB C 22 66.662 66.662 64.484 2.178 19535 3887 1 16 . 1 1 22 22 SER H H 22 9.116 9.116 8.116 1.000 19535 3888 1 16 . 1 1 23 23 CYS N N 23 123.558 123.558 124.257 -0.699 19535 3889 1 16 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.669 0.277 19535 3890 1 16 . 1 1 23 23 CYS C C 23 171.894 171.894 175.457 -3.563 19535 3891 1 16 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.652 -3.787 19535 3892 1 16 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.758 12.456 19535 3893 1 16 . 1 1 23 23 CYS H H 23 8.848 8.848 8.869 -0.021 19535 3894 1 16 . 1 1 24 24 LEU N N 24 131.578 131.578 127.587 3.991 19535 3895 1 16 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.645 0.101 19535 3896 1 16 . 1 1 24 24 LEU C C 24 175.871 175.871 175.985 -0.114 19535 3897 1 16 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.835 0.766 19535 3898 1 16 . 1 1 24 24 LEU CB C 24 43.222 43.222 43.788 -0.567 19535 3899 1 16 . 1 1 24 24 LEU H H 24 8.582 8.582 8.623 -0.041 19535 3900 1 16 . 1 1 25 25 CYS N N 25 122.657 122.657 124.888 -2.231 19535 3901 1 16 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.642 0.690 19535 3902 1 16 . 1 1 25 25 CYS C C 25 173.806 173.806 175.031 -1.225 19535 3903 1 16 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.304 -3.737 19535 3904 1 16 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.608 18.687 19535 3905 1 16 . 1 1 25 25 CYS H H 25 8.832 8.832 8.942 -0.110 19535 3906 1 16 . 1 1 26 26 SER N N 26 117.664 117.664 119.547 -1.883 19535 3907 1 16 . 1 1 26 26 SER HA H 26 4.648 4.648 4.572 0.076 19535 3908 1 16 . 1 1 26 26 SER C C 26 173.194 173.194 173.867 -0.673 19535 3909 1 16 . 1 1 26 26 SER CA C 26 58.458 58.458 58.145 0.313 19535 3910 1 16 . 1 1 26 26 SER CB C 26 64.218 64.218 63.884 0.334 19535 3911 1 16 . 1 1 26 26 SER H H 26 8.550 8.550 8.509 0.041 19535 3912 1 16 . 1 1 27 27 ASN N N 27 120.609 120.609 125.770 -5.161 19535 3913 1 16 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.966 -0.012 19535 3914 1 16 . 1 1 27 27 ASN C C 27 174.341 174.341 175.877 -1.536 19535 3915 1 16 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.087 1.411 19535 3916 1 16 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.328 0.073 19535 3917 1 16 . 1 1 27 27 ASN H H 27 8.663 8.663 8.741 -0.078 19535 3918 1 16 . 1 1 28 28 GLY N N 28 109.128 109.128 109.906 -0.778 19535 3919 1 16 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.277 1.016 19535 3920 1 16 . 1 1 28 28 GLY H H 28 8.232 8.232 7.611 0.621 19535 3921 1 16 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.414 0.159 19535 3922 1 16 . 1 1 29 29 PRO C C 29 176.100 176.100 176.194 -0.094 19535 3923 1 16 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.165 0.281 19535 3924 1 16 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.162 -0.021 19535 3925 1 16 . 1 1 30 30 ILE N N 30 120.101 120.101 117.358 2.743 19535 3926 1 16 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.559 -0.301 19535 3927 1 16 . 1 1 30 30 ILE C C 30 174.928 174.928 175.404 -0.476 19535 3928 1 16 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.320 0.844 19535 3929 1 16 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.008 1.000 19535 3930 1 16 . 1 1 30 30 ILE H H 30 8.059 8.059 8.071 -0.012 19535 3931 1 16 . 1 1 31 31 ALA N N 31 127.003 127.003 130.896 -3.893 19535 3932 1 16 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.356 0.076 19535 3933 1 16 . 1 1 31 31 ALA C C 31 176.355 176.355 177.818 -1.463 19535 3934 1 16 . 1 1 31 31 ALA CA C 31 52.896 52.896 53.259 -0.363 19535 3935 1 16 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.724 -0.260 19535 3936 1 16 . 1 1 31 31 ALA H H 31 8.303 8.303 8.798 -0.495 19535 3937 1 16 . 1 1 32 32 ARG N N 32 118.980 118.980 118.246 0.734 19535 3938 1 16 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.787 -0.308 19535 3939 1 16 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.276 0.316 19535 3940 1 16 . 1 1 32 32 ARG CB C 32 30.351 30.351 29.986 0.365 19535 3941 1 16 . 1 1 32 32 ARG H H 32 7.910 7.910 8.332 -0.422 19535 3942 1 16 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.813 -0.424 19535 3943 1 16 . 1 1 33 33 PRO C C 33 175.947 175.947 176.447 -0.500 19535 3944 1 16 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.108 0.451 19535 3945 1 16 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.998 -0.063 19535 3946 1 16 . 1 1 34 34 TRP N N 34 116.547 116.547 118.034 -1.487 19535 3947 1 16 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.515 0.255 19535 3948 1 16 . 1 1 34 34 TRP C C 34 175.488 175.488 177.696 -2.208 19535 3949 1 16 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.896 -1.009 19535 3950 1 16 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.343 -0.755 19535 3951 1 16 . 1 1 34 34 TRP H H 34 7.479 7.479 8.315 -0.836 19535 3952 1 16 . 1 1 35 35 GLU N N 35 120.618 120.618 116.662 3.956 19535 3953 1 16 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.538 -0.156 19535 3954 1 16 . 1 1 35 35 GLU C C 35 174.902 174.902 177.362 -2.460 19535 3955 1 16 . 1 1 35 35 GLU CA C 35 56.567 56.567 56.732 -0.165 19535 3956 1 16 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.118 -1.798 19535 3957 1 16 . 1 1 35 35 GLU H H 35 7.817 7.817 7.798 0.019 19535 3958 1 16 . 1 1 36 36 MET N N 36 119.553 119.553 122.283 -2.730 19535 3959 1 16 . 1 1 36 36 MET HA H 36 4.535 4.535 4.692 -0.157 19535 3960 1 16 . 1 1 36 36 MET C C 36 175.182 175.182 174.501 0.681 19535 3961 1 16 . 1 1 36 36 MET CA C 36 56.026 56.026 54.549 1.477 19535 3962 1 16 . 1 1 36 36 MET CB C 36 33.032 33.032 33.273 -0.241 19535 3963 1 16 . 1 1 36 36 MET H H 36 8.132 8.132 8.488 -0.356 19535 3964 1 16 . 1 1 37 37 MET N N 37 120.609 120.609 123.451 -2.842 19535 3965 1 16 . 1 1 37 37 MET HA H 37 4.629 4.629 4.594 0.035 19535 3966 1 16 . 1 1 37 37 MET C C 37 175.081 175.081 176.163 -1.082 19535 3967 1 16 . 1 1 37 37 MET CA C 37 56.043 56.043 54.609 1.434 19535 3968 1 16 . 1 1 37 37 MET CB C 37 33.041 33.041 32.410 0.631 19535 3969 1 16 . 1 1 37 37 MET H H 37 8.289 8.289 8.650 -0.361 19535 3970 1 16 . 1 1 38 38 VAL N N 38 119.594 119.594 123.088 -3.494 19535 3971 1 16 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.301 0.036 19535 3972 1 16 . 1 1 38 38 VAL C C 38 175.335 175.335 175.312 0.023 19535 3973 1 16 . 1 1 38 38 VAL CA C 38 62.647 62.647 61.209 1.438 19535 3974 1 16 . 1 1 38 38 VAL CB C 38 32.887 32.887 31.415 1.472 19535 3975 1 16 . 1 1 38 38 VAL H H 38 8.054 8.054 7.942 0.112 19535 3976 1 16 . 1 1 39 39 GLY N N 39 111.351 111.351 108.365 2.986 19535 3977 1 16 . 1 1 39 39 GLY C C 39 172.429 172.429 175.092 -2.663 19535 3978 1 16 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.547 0.926 19535 3979 1 16 . 1 1 39 39 GLY H H 39 8.329 8.329 8.383 -0.054 19535 3980 1 16 . 1 1 40 40 ASN N N 40 118.075 118.075 118.844 -0.769 19535 3981 1 16 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.512 0.433 19535 3982 1 16 . 1 1 40 40 ASN C C 40 173.984 173.984 174.183 -0.199 19535 3983 1 16 . 1 1 40 40 ASN CA C 40 53.754 53.754 54.115 -0.361 19535 3984 1 16 . 1 1 40 40 ASN CB C 40 39.972 39.972 39.313 0.659 19535 3985 1 16 . 1 1 40 40 ASN H H 40 8.359 8.359 8.038 0.321 19535 3986 1 16 . 1 1 41 41 CYS N N 41 120.609 120.609 117.411 3.198 19535 3987 1 16 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.707 0.831 19535 3988 1 16 . 1 1 41 41 CYS C C 41 172.689 172.689 173.985 -1.296 19535 3989 1 16 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.444 -2.127 19535 3990 1 16 . 1 1 41 41 CYS CB C 41 48.409 48.409 29.090 19.320 19535 3991 1 16 . 1 1 41 41 CYS H H 41 8.653 8.653 8.577 0.076 19535 3992 1 16 . 1 1 42 42 MET N N 42 120.998 120.998 120.602 0.396 19535 3993 1 16 . 1 1 42 42 MET HA H 42 5.164 5.164 4.798 0.366 19535 3994 1 16 . 1 1 42 42 MET C C 42 175.208 175.208 175.450 -0.242 19535 3995 1 16 . 1 1 42 42 MET CA C 42 54.853 54.853 53.326 1.527 19535 3996 1 16 . 1 1 42 42 MET CB C 42 37.960 37.960 37.211 0.749 19535 3997 1 16 . 1 1 42 42 MET H H 42 8.967 8.967 8.357 0.610 19535 3998 1 16 . 1 1 43 43 CYS N N 43 122.297 122.297 119.037 3.260 19535 3999 1 16 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.384 1.121 19535 4000 1 16 . 1 1 43 43 CYS C C 43 175.820 175.820 175.006 0.814 19535 4001 1 16 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.243 -6.749 19535 4002 1 16 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.934 8.773 19535 4003 1 16 . 1 1 43 43 CYS H H 43 9.478 9.478 8.335 1.143 19535 4004 1 16 . 1 1 44 44 GLY N N 44 114.932 114.932 109.116 5.816 19535 4005 1 16 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.810 1.815 19535 4006 1 16 . 1 1 44 44 GLY H H 44 9.712 9.712 7.785 1.927 19535 4007 1 16 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.554 0.062 19535 4008 1 16 . 1 1 45 45 PRO C C 45 175.386 175.386 176.152 -0.766 19535 4009 1 16 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.739 0.201 19535 4010 1 16 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.795 -0.570 19535 4011 1 16 . 1 1 46 46 LYS N N 46 121.021 121.021 122.078 -1.057 19535 4012 1 16 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.400 -0.122 19535 4013 1 16 . 1 1 46 46 LYS C C 46 174.902 174.902 176.420 -1.518 19535 4014 1 16 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.331 0.476 19535 4015 1 16 . 1 1 46 46 LYS CB C 46 33.533 33.533 33.129 0.404 19535 4016 1 16 . 1 1 46 46 LYS H H 46 8.421 8.421 8.439 -0.018 19535 4017 1 17 . 1 1 2 2 LYS N N 2 122.024 122.024 125.329 -3.305 19535 4018 1 17 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.598 -0.069 19535 4019 1 17 . 1 1 2 2 LYS C C 2 175.284 175.284 175.639 -0.355 19535 4020 1 17 . 1 1 2 2 LYS CA C 2 56.758 56.758 55.168 1.590 19535 4021 1 17 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.753 -0.399 19535 4022 1 17 . 1 1 2 2 LYS H H 2 8.776 8.776 8.678 0.098 19535 4023 1 17 . 1 1 3 3 GLU N N 3 122.436 122.436 122.170 0.266 19535 4024 1 17 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.310 0.294 19535 4025 1 17 . 1 1 3 3 GLU C C 3 174.367 174.367 176.019 -1.652 19535 4026 1 17 . 1 1 3 3 GLU CA C 3 55.921 55.921 56.813 -0.892 19535 4027 1 17 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.368 0.941 19535 4028 1 17 . 1 1 3 3 GLU H H 3 8.583 8.583 8.478 0.105 19535 4029 1 17 . 1 1 4 4 CYS N N 4 117.664 117.664 118.705 -1.041 19535 4030 1 17 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.960 0.026 19535 4031 1 17 . 1 1 4 4 CYS C C 4 172.658 172.658 173.762 -1.104 19535 4032 1 17 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.370 -2.220 19535 4033 1 17 . 1 1 4 4 CYS CB C 4 42.390 42.390 31.051 11.339 19535 4034 1 17 . 1 1 4 4 CYS H H 4 8.165 8.165 8.586 -0.421 19535 4035 1 17 . 1 1 5 5 MET N N 5 118.071 118.071 120.083 -2.012 19535 4036 1 17 . 1 1 5 5 MET HA H 5 4.863 4.863 4.905 -0.042 19535 4037 1 17 . 1 1 5 5 MET C C 5 175.055 175.055 176.035 -0.980 19535 4038 1 17 . 1 1 5 5 MET CA C 5 55.789 55.789 54.395 1.394 19535 4039 1 17 . 1 1 5 5 MET CB C 5 34.599 34.599 35.095 -0.496 19535 4040 1 17 . 1 1 5 5 MET H H 5 9.075 9.075 8.719 0.356 19535 4041 1 17 . 1 1 6 6 THR N N 6 116.953 116.953 113.324 3.629 19535 4042 1 17 . 1 1 6 6 THR HA H 6 4.224 4.224 4.505 -0.281 19535 4043 1 17 . 1 1 6 6 THR C C 6 174.188 174.188 174.172 0.016 19535 4044 1 17 . 1 1 6 6 THR CA C 6 61.777 61.777 60.854 0.923 19535 4045 1 17 . 1 1 6 6 THR CB C 6 70.305 70.305 69.811 0.494 19535 4046 1 17 . 1 1 6 6 THR H H 6 8.492 8.492 8.451 0.041 19535 4047 1 17 . 1 1 7 7 ASP N N 7 123.270 123.270 119.281 3.989 19535 4048 1 17 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.330 -0.234 19535 4049 1 17 . 1 1 7 7 ASP C C 7 175.284 175.284 177.495 -2.211 19535 4050 1 17 . 1 1 7 7 ASP CA C 7 55.824 55.824 55.297 0.527 19535 4051 1 17 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.611 -1.400 19535 4052 1 17 . 1 1 7 7 ASP H H 7 8.643 8.643 8.469 0.174 19535 4053 1 17 . 1 1 8 8 GLY N N 8 111.423 111.423 110.741 0.682 19535 4054 1 17 . 1 1 8 8 GLY C C 8 173.117 173.117 174.603 -1.486 19535 4055 1 17 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.112 -0.013 19535 4056 1 17 . 1 1 8 8 GLY H H 8 9.329 9.329 8.361 0.968 19535 4057 1 17 . 1 1 9 9 THR N N 9 116.646 116.646 119.607 -2.961 19535 4058 1 17 . 1 1 9 9 THR HA H 9 4.320 4.320 4.521 -0.201 19535 4059 1 17 . 1 1 9 9 THR C C 9 172.913 172.913 174.502 -1.589 19535 4060 1 17 . 1 1 9 9 THR CA C 9 63.312 63.312 62.306 1.006 19535 4061 1 17 . 1 1 9 9 THR CB C 9 70.010 70.010 69.575 0.435 19535 4062 1 17 . 1 1 9 9 THR H H 9 7.695 7.695 7.431 0.264 19535 4063 1 17 . 1 1 10 10 VAL N N 10 127.413 127.413 126.625 0.788 19535 4064 1 17 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.626 0.598 19535 4065 1 17 . 1 1 10 10 VAL C C 10 173.194 173.194 175.997 -2.803 19535 4066 1 17 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.481 -0.022 19535 4067 1 17 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.496 0.529 19535 4068 1 17 . 1 1 10 10 VAL H H 10 8.605 8.605 8.593 0.012 19535 4069 1 17 . 1 1 11 11 CYS N N 11 120.712 120.712 122.956 -2.244 19535 4070 1 17 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.883 0.101 19535 4071 1 17 . 1 1 11 11 CYS C C 11 169.701 169.701 172.582 -2.881 19535 4072 1 17 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.893 -3.105 19535 4073 1 17 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.834 18.334 19535 4074 1 17 . 1 1 11 11 CYS H H 11 7.743 7.743 8.003 -0.260 19535 4075 1 17 . 1 1 12 12 TYR N N 12 117.867 117.867 118.270 -0.403 19535 4076 1 17 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.872 0.095 19535 4077 1 17 . 1 1 12 12 TYR C C 12 175.577 175.577 176.286 -0.709 19535 4078 1 17 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.618 -0.880 19535 4079 1 17 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.271 -1.797 19535 4080 1 17 . 1 1 12 12 TYR H H 12 8.324 8.324 8.118 0.206 19535 4081 1 17 . 1 1 13 13 ILE N N 13 122.840 122.840 123.447 -0.607 19535 4082 1 17 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.988 0.087 19535 4083 1 17 . 1 1 13 13 ILE C C 13 175.629 175.629 176.656 -1.027 19535 4084 1 17 . 1 1 13 13 ILE CA C 13 62.842 62.842 63.146 -0.304 19535 4085 1 17 . 1 1 13 13 ILE CB C 13 38.172 38.172 38.324 -0.152 19535 4086 1 17 . 1 1 13 13 ILE H H 13 8.502 8.502 8.774 -0.272 19535 4087 1 17 . 1 1 14 14 HIS N N 14 117.156 117.156 116.731 0.425 19535 4088 1 17 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.586 0.312 19535 4089 1 17 . 1 1 14 14 HIS C C 14 173.219 173.219 174.294 -1.075 19535 4090 1 17 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.813 0.049 19535 4091 1 17 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.399 -1.051 19535 4092 1 17 . 1 1 14 14 HIS H H 14 8.437 8.437 8.155 0.282 19535 4093 1 17 . 1 1 15 15 ASN N N 15 117.243 117.243 117.414 -0.171 19535 4094 1 17 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.702 0.235 19535 4095 1 17 . 1 1 15 15 ASN C C 15 174.010 174.010 174.283 -0.273 19535 4096 1 17 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.181 -0.058 19535 4097 1 17 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.699 0.047 19535 4098 1 17 . 1 1 15 15 ASN H H 15 7.934 7.934 7.569 0.365 19535 4099 1 17 . 1 1 16 16 HIS N N 16 118.072 118.072 115.018 3.054 19535 4100 1 17 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.127 0.508 19535 4101 1 17 . 1 1 16 16 HIS C C 16 173.449 173.449 173.926 -0.477 19535 4102 1 17 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.359 -0.720 19535 4103 1 17 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.509 0.942 19535 4104 1 17 . 1 1 16 16 HIS H H 16 8.402 8.402 8.216 0.186 19535 4105 1 17 . 1 1 17 17 ASN N N 17 120.144 120.144 118.200 1.944 19535 4106 1 17 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.779 0.136 19535 4107 1 17 . 1 1 17 17 ASN C C 17 173.857 173.857 174.508 -0.651 19535 4108 1 17 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.834 -0.317 19535 4109 1 17 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.575 -0.420 19535 4110 1 17 . 1 1 17 17 ASN H H 17 8.567 8.567 7.824 0.743 19535 4111 1 17 . 1 1 18 18 ASP N N 18 121.570 121.570 125.375 -3.805 19535 4112 1 17 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.961 0.121 19535 4113 1 17 . 1 1 18 18 ASP C C 18 175.565 175.565 174.348 1.217 19535 4114 1 17 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.595 -0.258 19535 4115 1 17 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.451 -1.416 19535 4116 1 17 . 1 1 18 18 ASP H H 18 8.623 8.623 8.682 -0.059 19535 4117 1 17 . 1 1 19 19 CYS N N 19 119.788 119.788 120.485 -0.697 19535 4118 1 17 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.732 0.140 19535 4119 1 17 . 1 1 19 19 CYS C C 19 174.188 174.188 175.534 -1.346 19535 4120 1 17 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.613 -3.487 19535 4121 1 17 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.265 6.904 19535 4122 1 17 . 1 1 19 19 CYS H H 19 8.370 8.370 8.675 -0.305 19535 4123 1 17 . 1 1 20 20 CYS N N 20 123.247 123.247 124.271 -1.024 19535 4124 1 17 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.314 0.294 19535 4125 1 17 . 1 1 20 20 CYS C C 20 175.514 175.514 175.345 0.169 19535 4126 1 17 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.506 -3.162 19535 4127 1 17 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.363 11.848 19535 4128 1 17 . 1 1 20 20 CYS H H 20 9.556 9.556 9.072 0.484 19535 4129 1 17 . 1 1 21 21 GLY N N 21 109.083 109.083 106.233 2.850 19535 4130 1 17 . 1 1 21 21 GLY C C 21 171.945 171.945 172.919 -0.974 19535 4131 1 17 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.613 1.504 19535 4132 1 17 . 1 1 21 21 GLY H H 21 8.968 8.968 7.901 1.067 19535 4133 1 17 . 1 1 22 22 SER N N 22 121.727 121.727 114.794 6.933 19535 4134 1 17 . 1 1 22 22 SER HA H 22 4.798 4.798 4.639 0.159 19535 4135 1 17 . 1 1 22 22 SER C C 22 170.670 170.670 174.532 -3.862 19535 4136 1 17 . 1 1 22 22 SER CA C 22 57.668 57.668 57.413 0.255 19535 4137 1 17 . 1 1 22 22 SER CB C 22 66.662 66.662 64.496 2.166 19535 4138 1 17 . 1 1 22 22 SER H H 22 9.116 9.116 8.130 0.986 19535 4139 1 17 . 1 1 23 23 CYS N N 23 123.558 123.558 124.420 -0.862 19535 4140 1 17 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.680 0.266 19535 4141 1 17 . 1 1 23 23 CYS C C 23 171.894 171.894 175.263 -3.369 19535 4142 1 17 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.585 -3.720 19535 4143 1 17 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.674 12.540 19535 4144 1 17 . 1 1 23 23 CYS H H 23 8.848 8.848 8.869 -0.021 19535 4145 1 17 . 1 1 24 24 LEU N N 24 131.578 131.578 127.297 4.281 19535 4146 1 17 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.661 0.085 19535 4147 1 17 . 1 1 24 24 LEU C C 24 175.871 175.871 175.947 -0.076 19535 4148 1 17 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.804 0.797 19535 4149 1 17 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.456 -1.234 19535 4150 1 17 . 1 1 24 24 LEU H H 24 8.582 8.582 8.653 -0.071 19535 4151 1 17 . 1 1 25 25 CYS N N 25 122.657 122.657 124.873 -2.216 19535 4152 1 17 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.623 0.709 19535 4153 1 17 . 1 1 25 25 CYS C C 25 173.806 173.806 175.169 -1.363 19535 4154 1 17 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.277 -3.710 19535 4155 1 17 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.485 18.810 19535 4156 1 17 . 1 1 25 25 CYS H H 25 8.832 8.832 8.911 -0.079 19535 4157 1 17 . 1 1 26 26 SER N N 26 117.664 117.664 119.713 -2.049 19535 4158 1 17 . 1 1 26 26 SER HA H 26 4.648 4.648 4.588 0.060 19535 4159 1 17 . 1 1 26 26 SER C C 26 173.194 173.194 174.470 -1.276 19535 4160 1 17 . 1 1 26 26 SER CA C 26 58.458 58.458 58.277 0.181 19535 4161 1 17 . 1 1 26 26 SER CB C 26 64.218 64.218 63.674 0.544 19535 4162 1 17 . 1 1 26 26 SER H H 26 8.550 8.550 8.434 0.116 19535 4163 1 17 . 1 1 27 27 ASN N N 27 120.609 120.609 124.835 -4.226 19535 4164 1 17 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.878 0.076 19535 4165 1 17 . 1 1 27 27 ASN C C 27 174.341 174.341 175.704 -1.363 19535 4166 1 17 . 1 1 27 27 ASN CA C 27 53.498 53.498 51.808 1.690 19535 4167 1 17 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.013 0.388 19535 4168 1 17 . 1 1 27 27 ASN H H 27 8.663 8.663 8.630 0.033 19535 4169 1 17 . 1 1 28 28 GLY N N 28 109.128 109.128 110.399 -1.271 19535 4170 1 17 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.248 1.044 19535 4171 1 17 . 1 1 28 28 GLY H H 28 8.232 8.232 7.718 0.514 19535 4172 1 17 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.415 0.158 19535 4173 1 17 . 1 1 29 29 PRO C C 29 176.100 176.100 176.111 -0.011 19535 4174 1 17 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.133 0.313 19535 4175 1 17 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.228 -0.087 19535 4176 1 17 . 1 1 30 30 ILE N N 30 120.101 120.101 116.803 3.298 19535 4177 1 17 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.540 -0.282 19535 4178 1 17 . 1 1 30 30 ILE C C 30 174.928 174.928 175.209 -0.281 19535 4179 1 17 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.437 0.727 19535 4180 1 17 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.972 0.036 19535 4181 1 17 . 1 1 30 30 ILE H H 30 8.059 8.059 8.013 0.046 19535 4182 1 17 . 1 1 31 31 ALA N N 31 127.003 127.003 130.565 -3.562 19535 4183 1 17 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.436 -0.004 19535 4184 1 17 . 1 1 31 31 ALA C C 31 176.355 176.355 177.601 -1.246 19535 4185 1 17 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.806 0.090 19535 4186 1 17 . 1 1 31 31 ALA CB C 31 19.465 19.465 20.037 -0.572 19535 4187 1 17 . 1 1 31 31 ALA H H 31 8.303 8.303 8.750 -0.447 19535 4188 1 17 . 1 1 32 32 ARG N N 32 118.980 118.980 119.049 -0.069 19535 4189 1 17 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.832 -0.353 19535 4190 1 17 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.153 0.440 19535 4191 1 17 . 1 1 32 32 ARG CB C 32 30.351 30.351 29.704 0.647 19535 4192 1 17 . 1 1 32 32 ARG H H 32 7.910 7.910 8.319 -0.409 19535 4193 1 17 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.845 -0.456 19535 4194 1 17 . 1 1 33 33 PRO C C 33 175.947 175.947 176.675 -0.728 19535 4195 1 17 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.245 0.314 19535 4196 1 17 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.972 -0.037 19535 4197 1 17 . 1 1 34 34 TRP N N 34 116.547 116.547 118.873 -2.326 19535 4198 1 17 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.653 0.117 19535 4199 1 17 . 1 1 34 34 TRP C C 34 175.488 175.488 177.621 -2.133 19535 4200 1 17 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.372 -0.485 19535 4201 1 17 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.534 -0.946 19535 4202 1 17 . 1 1 34 34 TRP H H 34 7.479 7.479 8.381 -0.902 19535 4203 1 17 . 1 1 35 35 GLU N N 35 120.618 120.618 118.599 2.019 19535 4204 1 17 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.473 -0.091 19535 4205 1 17 . 1 1 35 35 GLU C C 35 174.902 174.902 176.881 -1.979 19535 4206 1 17 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.044 -0.477 19535 4207 1 17 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.221 -1.901 19535 4208 1 17 . 1 1 35 35 GLU H H 35 7.817 7.817 7.931 -0.114 19535 4209 1 17 . 1 1 36 36 MET N N 36 119.553 119.553 117.738 1.815 19535 4210 1 17 . 1 1 36 36 MET HA H 36 4.535 4.535 4.789 -0.254 19535 4211 1 17 . 1 1 36 36 MET C C 36 175.182 175.182 174.719 0.463 19535 4212 1 17 . 1 1 36 36 MET CA C 36 56.026 56.026 54.874 1.152 19535 4213 1 17 . 1 1 36 36 MET CB C 36 33.032 33.032 34.848 -1.816 19535 4214 1 17 . 1 1 36 36 MET H H 36 8.132 8.132 7.873 0.259 19535 4215 1 17 . 1 1 37 37 MET N N 37 120.609 120.609 124.916 -4.307 19535 4216 1 17 . 1 1 37 37 MET HA H 37 4.629 4.629 4.605 0.024 19535 4217 1 17 . 1 1 37 37 MET C C 37 175.081 175.081 176.266 -1.185 19535 4218 1 17 . 1 1 37 37 MET CA C 37 56.043 56.043 55.739 0.304 19535 4219 1 17 . 1 1 37 37 MET CB C 37 33.041 33.041 32.599 0.442 19535 4220 1 17 . 1 1 37 37 MET H H 37 8.289 8.289 8.711 -0.422 19535 4221 1 17 . 1 1 38 38 VAL N N 38 119.594 119.594 120.093 -0.499 19535 4222 1 17 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.402 -0.064 19535 4223 1 17 . 1 1 38 38 VAL C C 38 175.335 175.335 175.387 -0.052 19535 4224 1 17 . 1 1 38 38 VAL CA C 38 62.647 62.647 60.936 1.711 19535 4225 1 17 . 1 1 38 38 VAL CB C 38 32.887 32.887 31.648 1.238 19535 4226 1 17 . 1 1 38 38 VAL H H 38 8.054 8.054 7.870 0.184 19535 4227 1 17 . 1 1 39 39 GLY N N 39 111.351 111.351 108.066 3.285 19535 4228 1 17 . 1 1 39 39 GLY C C 39 172.429 172.429 173.977 -1.548 19535 4229 1 17 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.224 1.249 19535 4230 1 17 . 1 1 39 39 GLY H H 39 8.329 8.329 8.237 0.092 19535 4231 1 17 . 1 1 40 40 ASN N N 40 118.075 118.075 117.537 0.538 19535 4232 1 17 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.830 0.115 19535 4233 1 17 . 1 1 40 40 ASN C C 40 173.984 173.984 174.058 -0.074 19535 4234 1 17 . 1 1 40 40 ASN CA C 40 53.754 53.754 51.263 2.491 19535 4235 1 17 . 1 1 40 40 ASN CB C 40 39.972 39.972 39.688 0.284 19535 4236 1 17 . 1 1 40 40 ASN H H 40 8.359 8.359 7.693 0.666 19535 4237 1 17 . 1 1 41 41 CYS N N 41 120.609 120.609 119.190 1.419 19535 4238 1 17 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.844 0.694 19535 4239 1 17 . 1 1 41 41 CYS C C 41 172.689 172.689 173.992 -1.303 19535 4240 1 17 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.234 -1.917 19535 4241 1 17 . 1 1 41 41 CYS CB C 41 48.409 48.409 29.091 19.318 19535 4242 1 17 . 1 1 41 41 CYS H H 41 8.653 8.653 8.580 0.073 19535 4243 1 17 . 1 1 42 42 MET N N 42 120.998 120.998 120.584 0.414 19535 4244 1 17 . 1 1 42 42 MET HA H 42 5.164 5.164 4.729 0.435 19535 4245 1 17 . 1 1 42 42 MET C C 42 175.208 175.208 174.777 0.431 19535 4246 1 17 . 1 1 42 42 MET CA C 42 54.853 54.853 54.505 0.348 19535 4247 1 17 . 1 1 42 42 MET CB C 42 37.960 37.960 37.974 -0.014 19535 4248 1 17 . 1 1 42 42 MET H H 42 8.967 8.967 8.381 0.586 19535 4249 1 17 . 1 1 43 43 CYS N N 43 122.297 122.297 118.302 3.995 19535 4250 1 17 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.382 1.123 19535 4251 1 17 . 1 1 43 43 CYS C C 43 175.820 175.820 175.149 0.671 19535 4252 1 17 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.289 -6.795 19535 4253 1 17 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.872 8.835 19535 4254 1 17 . 1 1 43 43 CYS H H 43 9.478 9.478 8.270 1.208 19535 4255 1 17 . 1 1 44 44 GLY N N 44 114.932 114.932 108.626 6.306 19535 4256 1 17 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.821 1.804 19535 4257 1 17 . 1 1 44 44 GLY H H 44 9.712 9.712 7.729 1.983 19535 4258 1 17 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.450 0.166 19535 4259 1 17 . 1 1 45 45 PRO C C 45 175.386 175.386 176.405 -1.019 19535 4260 1 17 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.644 0.296 19535 4261 1 17 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.783 -0.558 19535 4262 1 17 . 1 1 46 46 LYS N N 46 121.021 121.021 123.164 -2.143 19535 4263 1 17 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.252 0.026 19535 4264 1 17 . 1 1 46 46 LYS C C 46 174.902 174.902 176.391 -1.489 19535 4265 1 17 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.346 0.461 19535 4266 1 17 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.594 0.939 19535 4267 1 17 . 1 1 46 46 LYS H H 46 8.421 8.421 8.465 -0.044 19535 4268 1 18 . 1 1 2 2 LYS N N 2 122.024 122.024 123.564 -1.540 19535 4269 1 18 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.341 0.188 19535 4270 1 18 . 1 1 2 2 LYS C C 2 175.284 175.284 176.481 -1.197 19535 4271 1 18 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.054 0.704 19535 4272 1 18 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.261 0.093 19535 4273 1 18 . 1 1 2 2 LYS H H 2 8.776 8.776 8.118 0.658 19535 4274 1 18 . 1 1 3 3 GLU N N 3 122.436 122.436 121.805 0.631 19535 4275 1 18 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.302 0.302 19535 4276 1 18 . 1 1 3 3 GLU C C 3 174.367 174.367 176.555 -2.188 19535 4277 1 18 . 1 1 3 3 GLU CA C 3 55.921 55.921 56.119 -0.198 19535 4278 1 18 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.459 0.850 19535 4279 1 18 . 1 1 3 3 GLU H H 3 8.583 8.583 8.491 0.092 19535 4280 1 18 . 1 1 4 4 CYS N N 4 117.664 117.664 121.706 -4.042 19535 4281 1 18 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.504 0.482 19535 4282 1 18 . 1 1 4 4 CYS C C 4 172.658 172.658 175.085 -2.427 19535 4283 1 18 . 1 1 4 4 CYS CA C 4 54.150 54.150 57.923 -3.773 19535 4284 1 18 . 1 1 4 4 CYS CB C 4 42.390 42.390 28.897 13.493 19535 4285 1 18 . 1 1 4 4 CYS H H 4 8.165 8.165 8.537 -0.372 19535 4286 1 18 . 1 1 5 5 MET N N 5 118.071 118.071 119.832 -1.761 19535 4287 1 18 . 1 1 5 5 MET HA H 5 4.863 4.863 4.854 0.009 19535 4288 1 18 . 1 1 5 5 MET C C 5 175.055 175.055 176.059 -1.004 19535 4289 1 18 . 1 1 5 5 MET CA C 5 55.789 55.789 54.418 1.371 19535 4290 1 18 . 1 1 5 5 MET CB C 5 34.599 34.599 35.101 -0.502 19535 4291 1 18 . 1 1 5 5 MET H H 5 9.075 9.075 8.676 0.399 19535 4292 1 18 . 1 1 6 6 THR N N 6 116.953 116.953 112.977 3.976 19535 4293 1 18 . 1 1 6 6 THR HA H 6 4.224 4.224 4.535 -0.311 19535 4294 1 18 . 1 1 6 6 THR C C 6 174.188 174.188 173.849 0.339 19535 4295 1 18 . 1 1 6 6 THR CA C 6 61.777 61.777 60.578 1.199 19535 4296 1 18 . 1 1 6 6 THR CB C 6 70.305 70.305 69.708 0.597 19535 4297 1 18 . 1 1 6 6 THR H H 6 8.492 8.492 8.384 0.108 19535 4298 1 18 . 1 1 7 7 ASP N N 7 123.270 123.270 117.691 5.579 19535 4299 1 18 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.229 -0.133 19535 4300 1 18 . 1 1 7 7 ASP C C 7 175.284 175.284 177.054 -1.770 19535 4301 1 18 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.288 1.536 19535 4302 1 18 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.510 -1.299 19535 4303 1 18 . 1 1 7 7 ASP H H 7 8.643 8.643 8.268 0.375 19535 4304 1 18 . 1 1 8 8 GLY N N 8 111.423 111.423 110.379 1.044 19535 4305 1 18 . 1 1 8 8 GLY C C 8 173.117 173.117 174.787 -1.670 19535 4306 1 18 . 1 1 8 8 GLY CA C 8 45.100 45.100 44.927 0.173 19535 4307 1 18 . 1 1 8 8 GLY H H 8 9.329 9.329 8.306 1.023 19535 4308 1 18 . 1 1 9 9 THR N N 9 116.646 116.646 119.294 -2.648 19535 4309 1 18 . 1 1 9 9 THR HA H 9 4.320 4.320 4.460 -0.140 19535 4310 1 18 . 1 1 9 9 THR C C 9 172.913 172.913 174.575 -1.662 19535 4311 1 18 . 1 1 9 9 THR CA C 9 63.312 63.312 61.927 1.385 19535 4312 1 18 . 1 1 9 9 THR CB C 9 70.010 70.010 69.849 0.161 19535 4313 1 18 . 1 1 9 9 THR H H 9 7.695 7.695 7.451 0.244 19535 4314 1 18 . 1 1 10 10 VAL N N 10 127.413 127.413 126.692 0.721 19535 4315 1 18 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.618 0.606 19535 4316 1 18 . 1 1 10 10 VAL C C 10 173.194 173.194 175.998 -2.804 19535 4317 1 18 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.334 0.125 19535 4318 1 18 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.758 0.267 19535 4319 1 18 . 1 1 10 10 VAL H H 10 8.605 8.605 8.528 0.077 19535 4320 1 18 . 1 1 11 11 CYS N N 11 120.712 120.712 122.573 -1.861 19535 4321 1 18 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.941 0.043 19535 4322 1 18 . 1 1 11 11 CYS C C 11 169.701 169.701 172.365 -2.664 19535 4323 1 18 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.668 -2.880 19535 4324 1 18 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.907 18.261 19535 4325 1 18 . 1 1 11 11 CYS H H 11 7.743 7.743 8.049 -0.306 19535 4326 1 18 . 1 1 12 12 TYR N N 12 117.867 117.867 117.754 0.113 19535 4327 1 18 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.866 0.101 19535 4328 1 18 . 1 1 12 12 TYR C C 12 175.577 175.577 176.350 -0.773 19535 4329 1 18 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.622 -0.884 19535 4330 1 18 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.446 -1.972 19535 4331 1 18 . 1 1 12 12 TYR H H 12 8.324 8.324 8.352 -0.028 19535 4332 1 18 . 1 1 13 13 ILE N N 13 122.840 122.840 123.542 -0.702 19535 4333 1 18 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.972 0.103 19535 4334 1 18 . 1 1 13 13 ILE C C 13 175.629 175.629 176.704 -1.075 19535 4335 1 18 . 1 1 13 13 ILE CA C 13 62.842 62.842 63.187 -0.345 19535 4336 1 18 . 1 1 13 13 ILE CB C 13 38.172 38.172 38.312 -0.140 19535 4337 1 18 . 1 1 13 13 ILE H H 13 8.502 8.502 8.792 -0.290 19535 4338 1 18 . 1 1 14 14 HIS N N 14 117.156 117.156 117.618 -0.462 19535 4339 1 18 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.703 0.195 19535 4340 1 18 . 1 1 14 14 HIS C C 14 173.219 173.219 174.620 -1.401 19535 4341 1 18 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.743 0.120 19535 4342 1 18 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.223 -0.875 19535 4343 1 18 . 1 1 14 14 HIS H H 14 8.437 8.437 8.150 0.287 19535 4344 1 18 . 1 1 15 15 ASN N N 15 117.243 117.243 117.476 -0.233 19535 4345 1 18 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.826 0.111 19535 4346 1 18 . 1 1 15 15 ASN C C 15 174.010 174.010 174.262 -0.252 19535 4347 1 18 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.272 -0.149 19535 4348 1 18 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.516 0.230 19535 4349 1 18 . 1 1 15 15 ASN H H 15 7.934 7.934 7.612 0.322 19535 4350 1 18 . 1 1 16 16 HIS N N 16 118.072 118.072 114.920 3.152 19535 4351 1 18 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.143 0.492 19535 4352 1 18 . 1 1 16 16 HIS C C 16 173.449 173.449 174.006 -0.557 19535 4353 1 18 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.744 -1.104 19535 4354 1 18 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.520 0.931 19535 4355 1 18 . 1 1 16 16 HIS H H 16 8.402 8.402 8.347 0.055 19535 4356 1 18 . 1 1 17 17 ASN N N 17 120.144 120.144 117.842 2.302 19535 4357 1 18 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.793 0.122 19535 4358 1 18 . 1 1 17 17 ASN C C 17 173.857 173.857 174.501 -0.644 19535 4359 1 18 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.977 -0.460 19535 4360 1 18 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.486 -0.331 19535 4361 1 18 . 1 1 17 17 ASN H H 17 8.567 8.567 7.863 0.704 19535 4362 1 18 . 1 1 18 18 ASP N N 18 121.570 121.570 124.957 -3.387 19535 4363 1 18 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.932 0.150 19535 4364 1 18 . 1 1 18 18 ASP C C 18 175.565 175.565 174.139 1.426 19535 4365 1 18 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.688 -0.350 19535 4366 1 18 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.824 -1.789 19535 4367 1 18 . 1 1 18 18 ASP H H 18 8.623 8.623 8.693 -0.070 19535 4368 1 18 . 1 1 19 19 CYS N N 19 119.788 119.788 120.642 -0.854 19535 4369 1 18 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.715 0.157 19535 4370 1 18 . 1 1 19 19 CYS C C 19 174.188 174.188 175.632 -1.444 19535 4371 1 18 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.496 -3.370 19535 4372 1 18 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.162 7.007 19535 4373 1 18 . 1 1 19 19 CYS H H 19 8.370 8.370 8.715 -0.345 19535 4374 1 18 . 1 1 20 20 CYS N N 20 123.247 123.247 124.598 -1.351 19535 4375 1 18 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.280 0.328 19535 4376 1 18 . 1 1 20 20 CYS C C 20 175.514 175.514 175.010 0.504 19535 4377 1 18 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.812 -3.468 19535 4378 1 18 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.377 11.834 19535 4379 1 18 . 1 1 20 20 CYS H H 20 9.556 9.556 9.012 0.544 19535 4380 1 18 . 1 1 21 21 GLY N N 21 109.083 109.083 105.369 3.714 19535 4381 1 18 . 1 1 21 21 GLY C C 21 171.945 171.945 172.846 -0.901 19535 4382 1 18 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.516 1.601 19535 4383 1 18 . 1 1 21 21 GLY H H 21 8.968 8.968 7.896 1.072 19535 4384 1 18 . 1 1 22 22 SER N N 22 121.727 121.727 114.832 6.895 19535 4385 1 18 . 1 1 22 22 SER HA H 22 4.798 4.798 4.632 0.166 19535 4386 1 18 . 1 1 22 22 SER C C 22 170.670 170.670 174.546 -3.876 19535 4387 1 18 . 1 1 22 22 SER CA C 22 57.668 57.668 57.414 0.254 19535 4388 1 18 . 1 1 22 22 SER CB C 22 66.662 66.662 64.446 2.216 19535 4389 1 18 . 1 1 22 22 SER H H 22 9.116 9.116 8.100 1.016 19535 4390 1 18 . 1 1 23 23 CYS N N 23 123.558 123.558 124.623 -1.065 19535 4391 1 18 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.663 0.283 19535 4392 1 18 . 1 1 23 23 CYS C C 23 171.894 171.894 175.269 -3.375 19535 4393 1 18 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.617 -3.752 19535 4394 1 18 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.698 12.516 19535 4395 1 18 . 1 1 23 23 CYS H H 23 8.848 8.848 8.893 -0.045 19535 4396 1 18 . 1 1 24 24 LEU N N 24 131.578 131.578 127.360 4.218 19535 4397 1 18 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.658 0.088 19535 4398 1 18 . 1 1 24 24 LEU C C 24 175.871 175.871 175.901 -0.030 19535 4399 1 18 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.820 0.781 19535 4400 1 18 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.164 -0.942 19535 4401 1 18 . 1 1 24 24 LEU H H 24 8.582 8.582 8.661 -0.079 19535 4402 1 18 . 1 1 25 25 CYS N N 25 122.657 122.657 124.438 -1.781 19535 4403 1 18 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.882 0.450 19535 4404 1 18 . 1 1 25 25 CYS C C 25 173.806 173.806 175.279 -1.473 19535 4405 1 18 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.444 -3.877 19535 4406 1 18 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.941 18.354 19535 4407 1 18 . 1 1 25 25 CYS H H 25 8.832 8.832 8.933 -0.101 19535 4408 1 18 . 1 1 26 26 SER N N 26 117.664 117.664 119.588 -1.924 19535 4409 1 18 . 1 1 26 26 SER HA H 26 4.648 4.648 4.571 0.077 19535 4410 1 18 . 1 1 26 26 SER C C 26 173.194 173.194 173.816 -0.622 19535 4411 1 18 . 1 1 26 26 SER CA C 26 58.458 58.458 57.814 0.644 19535 4412 1 18 . 1 1 26 26 SER CB C 26 64.218 64.218 64.047 0.171 19535 4413 1 18 . 1 1 26 26 SER H H 26 8.550 8.550 8.406 0.144 19535 4414 1 18 . 1 1 27 27 ASN N N 27 120.609 120.609 126.411 -5.802 19535 4415 1 18 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.946 0.008 19535 4416 1 18 . 1 1 27 27 ASN C C 27 174.341 174.341 175.751 -1.410 19535 4417 1 18 . 1 1 27 27 ASN CA C 27 53.498 53.498 51.853 1.645 19535 4418 1 18 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.034 0.367 19535 4419 1 18 . 1 1 27 27 ASN H H 27 8.663 8.663 8.620 0.043 19535 4420 1 18 . 1 1 28 28 GLY N N 28 109.128 109.128 109.675 -0.547 19535 4421 1 18 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.311 0.982 19535 4422 1 18 . 1 1 28 28 GLY H H 28 8.232 8.232 7.635 0.597 19535 4423 1 18 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.417 0.156 19535 4424 1 18 . 1 1 29 29 PRO C C 29 176.100 176.100 176.245 -0.145 19535 4425 1 18 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.047 0.399 19535 4426 1 18 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.341 -0.200 19535 4427 1 18 . 1 1 30 30 ILE N N 30 120.101 120.101 116.398 3.703 19535 4428 1 18 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.530 -0.272 19535 4429 1 18 . 1 1 30 30 ILE C C 30 174.928 174.928 175.298 -0.370 19535 4430 1 18 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.447 0.718 19535 4431 1 18 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.955 0.053 19535 4432 1 18 . 1 1 30 30 ILE H H 30 8.059 8.059 7.975 0.084 19535 4433 1 18 . 1 1 31 31 ALA N N 31 127.003 127.003 130.508 -3.505 19535 4434 1 18 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.418 0.014 19535 4435 1 18 . 1 1 31 31 ALA C C 31 176.355 176.355 177.832 -1.477 19535 4436 1 18 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.730 0.166 19535 4437 1 18 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.843 -0.378 19535 4438 1 18 . 1 1 31 31 ALA H H 31 8.303 8.303 8.712 -0.409 19535 4439 1 18 . 1 1 32 32 ARG N N 32 118.980 118.980 119.508 -0.528 19535 4440 1 18 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.820 -0.341 19535 4441 1 18 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.198 0.395 19535 4442 1 18 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.481 -0.130 19535 4443 1 18 . 1 1 32 32 ARG H H 32 7.910 7.910 8.313 -0.403 19535 4444 1 18 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.631 -0.242 19535 4445 1 18 . 1 1 33 33 PRO C C 33 175.947 175.947 176.393 -0.446 19535 4446 1 18 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.041 0.518 19535 4447 1 18 . 1 1 33 33 PRO CB C 33 31.935 31.935 32.120 -0.185 19535 4448 1 18 . 1 1 34 34 TRP N N 34 116.547 116.547 118.132 -1.585 19535 4449 1 18 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.479 0.291 19535 4450 1 18 . 1 1 34 34 TRP C C 34 175.488 175.488 177.803 -2.315 19535 4451 1 18 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.841 -0.954 19535 4452 1 18 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.200 -0.612 19535 4453 1 18 . 1 1 34 34 TRP H H 34 7.479 7.479 8.221 -0.742 19535 4454 1 18 . 1 1 35 35 GLU N N 35 120.618 120.618 117.534 3.084 19535 4455 1 18 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.392 -0.010 19535 4456 1 18 . 1 1 35 35 GLU C C 35 174.902 174.902 176.679 -1.777 19535 4457 1 18 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.412 -0.845 19535 4458 1 18 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.324 -2.004 19535 4459 1 18 . 1 1 35 35 GLU H H 35 7.817 7.817 7.747 0.070 19535 4460 1 18 . 1 1 36 36 MET N N 36 119.553 119.553 116.199 3.354 19535 4461 1 18 . 1 1 36 36 MET HA H 36 4.535 4.535 4.752 -0.217 19535 4462 1 18 . 1 1 36 36 MET C C 36 175.182 175.182 174.529 0.653 19535 4463 1 18 . 1 1 36 36 MET CA C 36 56.026 56.026 55.352 0.674 19535 4464 1 18 . 1 1 36 36 MET CB C 36 33.032 33.032 34.509 -1.477 19535 4465 1 18 . 1 1 36 36 MET H H 36 8.132 8.132 7.879 0.253 19535 4466 1 18 . 1 1 37 37 MET N N 37 120.609 120.609 126.171 -5.562 19535 4467 1 18 . 1 1 37 37 MET HA H 37 4.629 4.629 4.762 -0.133 19535 4468 1 18 . 1 1 37 37 MET C C 37 175.081 175.081 174.925 0.156 19535 4469 1 18 . 1 1 37 37 MET CA C 37 56.043 56.043 54.636 1.407 19535 4470 1 18 . 1 1 37 37 MET CB C 37 33.041 33.041 33.655 -0.614 19535 4471 1 18 . 1 1 37 37 MET H H 37 8.289 8.289 8.548 -0.259 19535 4472 1 18 . 1 1 38 38 VAL N N 38 119.594 119.594 128.710 -9.116 19535 4473 1 18 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.057 0.281 19535 4474 1 18 . 1 1 38 38 VAL C C 38 175.335 175.335 174.889 0.446 19535 4475 1 18 . 1 1 38 38 VAL CA C 38 62.647 62.647 61.814 0.833 19535 4476 1 18 . 1 1 38 38 VAL CB C 38 32.887 32.887 29.567 3.320 19535 4477 1 18 . 1 1 38 38 VAL H H 38 8.054 8.054 8.808 -0.754 19535 4478 1 18 . 1 1 39 39 GLY N N 39 111.351 111.351 112.381 -1.030 19535 4479 1 18 . 1 1 39 39 GLY C C 39 172.429 172.429 173.529 -1.100 19535 4480 1 18 . 1 1 39 39 GLY CA C 39 45.473 45.473 45.019 0.454 19535 4481 1 18 . 1 1 39 39 GLY H H 39 8.329 8.329 7.871 0.458 19535 4482 1 18 . 1 1 40 40 ASN N N 40 118.075 118.075 117.674 0.401 19535 4483 1 18 . 1 1 40 40 ASN HA H 40 4.945 4.945 5.008 -0.063 19535 4484 1 18 . 1 1 40 40 ASN C C 40 173.984 173.984 173.557 0.427 19535 4485 1 18 . 1 1 40 40 ASN CA C 40 53.754 53.754 51.951 1.803 19535 4486 1 18 . 1 1 40 40 ASN CB C 40 39.972 39.972 41.243 -1.271 19535 4487 1 18 . 1 1 40 40 ASN H H 40 8.359 8.359 7.861 0.498 19535 4488 1 18 . 1 1 41 41 CYS N N 41 120.609 120.609 118.540 2.069 19535 4489 1 18 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.902 0.636 19535 4490 1 18 . 1 1 41 41 CYS C C 41 172.689 172.689 173.743 -1.054 19535 4491 1 18 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.353 -2.037 19535 4492 1 18 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.498 19.911 19535 4493 1 18 . 1 1 41 41 CYS H H 41 8.653 8.653 8.682 -0.029 19535 4494 1 18 . 1 1 42 42 MET N N 42 120.998 120.998 121.039 -0.041 19535 4495 1 18 . 1 1 42 42 MET HA H 42 5.164 5.164 4.734 0.430 19535 4496 1 18 . 1 1 42 42 MET C C 42 175.208 175.208 175.088 0.120 19535 4497 1 18 . 1 1 42 42 MET CA C 42 54.853 54.853 53.938 0.915 19535 4498 1 18 . 1 1 42 42 MET CB C 42 37.960 37.960 36.917 1.043 19535 4499 1 18 . 1 1 42 42 MET H H 42 8.967 8.967 8.419 0.548 19535 4500 1 18 . 1 1 43 43 CYS N N 43 122.297 122.297 118.883 3.414 19535 4501 1 18 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.392 1.113 19535 4502 1 18 . 1 1 43 43 CYS C C 43 175.820 175.820 175.130 0.690 19535 4503 1 18 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.294 -6.800 19535 4504 1 18 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.901 8.806 19535 4505 1 18 . 1 1 43 43 CYS H H 43 9.478 9.478 8.337 1.141 19535 4506 1 18 . 1 1 44 44 GLY N N 44 114.932 114.932 109.037 5.895 19535 4507 1 18 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.805 1.820 19535 4508 1 18 . 1 1 44 44 GLY H H 44 9.712 9.712 7.718 1.994 19535 4509 1 18 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.528 0.088 19535 4510 1 18 . 1 1 45 45 PRO C C 45 175.386 175.386 176.162 -0.776 19535 4511 1 18 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.676 0.264 19535 4512 1 18 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.267 -0.043 19535 4513 1 18 . 1 1 46 46 LYS N N 46 121.021 121.021 122.714 -1.693 19535 4514 1 18 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.437 -0.159 19535 4515 1 18 . 1 1 46 46 LYS C C 46 174.902 174.902 175.786 -0.884 19535 4516 1 18 . 1 1 46 46 LYS CA C 46 56.807 56.807 55.980 0.827 19535 4517 1 18 . 1 1 46 46 LYS CB C 46 33.533 33.533 33.191 0.342 19535 4518 1 18 . 1 1 46 46 LYS H H 46 8.421 8.421 8.566 -0.145 19535 4519 1 19 . 1 1 2 2 LYS N N 2 122.024 122.024 124.511 -2.487 19535 4520 1 19 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.486 0.043 19535 4521 1 19 . 1 1 2 2 LYS C C 2 175.284 175.284 176.271 -0.987 19535 4522 1 19 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.090 0.668 19535 4523 1 19 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.508 -0.153 19535 4524 1 19 . 1 1 2 2 LYS H H 2 8.776 8.776 8.345 0.431 19535 4525 1 19 . 1 1 3 3 GLU N N 3 122.436 122.436 122.617 -0.181 19535 4526 1 19 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.542 0.062 19535 4527 1 19 . 1 1 3 3 GLU C C 3 174.367 174.367 175.780 -1.413 19535 4528 1 19 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.996 -0.075 19535 4529 1 19 . 1 1 3 3 GLU CB C 3 29.309 29.309 29.001 0.308 19535 4530 1 19 . 1 1 3 3 GLU H H 3 8.583 8.583 8.674 -0.091 19535 4531 1 19 . 1 1 4 4 CYS N N 4 117.664 117.664 118.661 -0.997 19535 4532 1 19 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.941 0.045 19535 4533 1 19 . 1 1 4 4 CYS C C 4 172.658 172.658 173.486 -0.828 19535 4534 1 19 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.826 -2.676 19535 4535 1 19 . 1 1 4 4 CYS CB C 4 42.390 42.390 30.691 11.699 19535 4536 1 19 . 1 1 4 4 CYS H H 4 8.165 8.165 8.734 -0.569 19535 4537 1 19 . 1 1 5 5 MET N N 5 118.071 118.071 120.320 -2.249 19535 4538 1 19 . 1 1 5 5 MET HA H 5 4.863 4.863 4.905 -0.042 19535 4539 1 19 . 1 1 5 5 MET C C 5 175.055 175.055 175.956 -0.901 19535 4540 1 19 . 1 1 5 5 MET CA C 5 55.789 55.789 54.503 1.286 19535 4541 1 19 . 1 1 5 5 MET CB C 5 34.599 34.599 35.069 -0.470 19535 4542 1 19 . 1 1 5 5 MET H H 5 9.075 9.075 8.749 0.326 19535 4543 1 19 . 1 1 6 6 THR N N 6 116.953 116.953 112.878 4.075 19535 4544 1 19 . 1 1 6 6 THR HA H 6 4.224 4.224 4.544 -0.320 19535 4545 1 19 . 1 1 6 6 THR C C 6 174.188 174.188 173.940 0.248 19535 4546 1 19 . 1 1 6 6 THR CA C 6 61.777 61.777 60.852 0.925 19535 4547 1 19 . 1 1 6 6 THR CB C 6 70.305 70.305 69.919 0.386 19535 4548 1 19 . 1 1 6 6 THR H H 6 8.492 8.492 8.411 0.081 19535 4549 1 19 . 1 1 7 7 ASP N N 7 123.270 123.270 117.645 5.625 19535 4550 1 19 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.203 -0.107 19535 4551 1 19 . 1 1 7 7 ASP C C 7 175.284 175.284 177.139 -1.855 19535 4552 1 19 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.068 1.756 19535 4553 1 19 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.596 -1.385 19535 4554 1 19 . 1 1 7 7 ASP H H 7 8.643 8.643 8.349 0.294 19535 4555 1 19 . 1 1 8 8 GLY N N 8 111.423 111.423 110.072 1.351 19535 4556 1 19 . 1 1 8 8 GLY C C 8 173.117 173.117 174.613 -1.496 19535 4557 1 19 . 1 1 8 8 GLY CA C 8 45.100 45.100 44.985 0.115 19535 4558 1 19 . 1 1 8 8 GLY H H 8 9.329 9.329 8.389 0.940 19535 4559 1 19 . 1 1 9 9 THR N N 9 116.646 116.646 119.638 -2.992 19535 4560 1 19 . 1 1 9 9 THR HA H 9 4.320 4.320 4.432 -0.112 19535 4561 1 19 . 1 1 9 9 THR C C 9 172.913 172.913 174.548 -1.635 19535 4562 1 19 . 1 1 9 9 THR CA C 9 63.312 63.312 62.050 1.262 19535 4563 1 19 . 1 1 9 9 THR CB C 9 70.010 70.010 69.731 0.279 19535 4564 1 19 . 1 1 9 9 THR H H 9 7.695 7.695 7.447 0.248 19535 4565 1 19 . 1 1 10 10 VAL N N 10 127.413 127.413 127.014 0.399 19535 4566 1 19 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.610 0.614 19535 4567 1 19 . 1 1 10 10 VAL C C 10 173.194 173.194 175.970 -2.776 19535 4568 1 19 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.533 -0.074 19535 4569 1 19 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.806 0.219 19535 4570 1 19 . 1 1 10 10 VAL H H 10 8.605 8.605 8.539 0.066 19535 4571 1 19 . 1 1 11 11 CYS N N 11 120.712 120.712 122.279 -1.567 19535 4572 1 19 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.948 0.036 19535 4573 1 19 . 1 1 11 11 CYS C C 11 169.701 169.701 172.417 -2.716 19535 4574 1 19 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.749 -2.961 19535 4575 1 19 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.900 18.268 19535 4576 1 19 . 1 1 11 11 CYS H H 11 7.743 7.743 8.075 -0.332 19535 4577 1 19 . 1 1 12 12 TYR N N 12 117.867 117.867 117.876 -0.009 19535 4578 1 19 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.867 0.100 19535 4579 1 19 . 1 1 12 12 TYR C C 12 175.577 175.577 176.418 -0.841 19535 4580 1 19 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.650 -0.912 19535 4581 1 19 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.437 -1.963 19535 4582 1 19 . 1 1 12 12 TYR H H 12 8.324 8.324 8.247 0.077 19535 4583 1 19 . 1 1 13 13 ILE N N 13 122.840 122.840 123.688 -0.848 19535 4584 1 19 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.972 0.103 19535 4585 1 19 . 1 1 13 13 ILE C C 13 175.629 175.629 176.575 -0.946 19535 4586 1 19 . 1 1 13 13 ILE CA C 13 62.842 62.842 63.202 -0.360 19535 4587 1 19 . 1 1 13 13 ILE CB C 13 38.172 38.172 38.333 -0.161 19535 4588 1 19 . 1 1 13 13 ILE H H 13 8.502 8.502 8.776 -0.274 19535 4589 1 19 . 1 1 14 14 HIS N N 14 117.156 117.156 118.596 -1.440 19535 4590 1 19 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.740 0.158 19535 4591 1 19 . 1 1 14 14 HIS C C 14 173.219 173.219 174.319 -1.100 19535 4592 1 19 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.901 -0.038 19535 4593 1 19 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.189 -0.841 19535 4594 1 19 . 1 1 14 14 HIS H H 14 8.437 8.437 8.301 0.136 19535 4595 1 19 . 1 1 15 15 ASN N N 15 117.243 117.243 118.540 -1.297 19535 4596 1 19 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.760 0.177 19535 4597 1 19 . 1 1 15 15 ASN C C 15 174.010 174.010 174.364 -0.354 19535 4598 1 19 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.060 0.063 19535 4599 1 19 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.740 0.006 19535 4600 1 19 . 1 1 15 15 ASN H H 15 7.934 7.934 7.598 0.336 19535 4601 1 19 . 1 1 16 16 HIS N N 16 118.072 118.072 116.258 1.814 19535 4602 1 19 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.222 0.413 19535 4603 1 19 . 1 1 16 16 HIS C C 16 173.449 173.449 173.615 -0.166 19535 4604 1 19 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.449 -0.809 19535 4605 1 19 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.296 1.155 19535 4606 1 19 . 1 1 16 16 HIS H H 16 8.402 8.402 8.303 0.099 19535 4607 1 19 . 1 1 17 17 ASN N N 17 120.144 120.144 118.011 2.133 19535 4608 1 19 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.896 0.019 19535 4609 1 19 . 1 1 17 17 ASN C C 17 173.857 173.857 174.434 -0.577 19535 4610 1 19 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.296 0.221 19535 4611 1 19 . 1 1 17 17 ASN CB C 17 39.155 39.155 40.248 -1.093 19535 4612 1 19 . 1 1 17 17 ASN H H 17 8.567 8.567 7.951 0.616 19535 4613 1 19 . 1 1 18 18 ASP N N 18 121.570 121.570 124.817 -3.247 19535 4614 1 19 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.847 0.235 19535 4615 1 19 . 1 1 18 18 ASP C C 18 175.565 175.565 174.286 1.279 19535 4616 1 19 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.731 -0.394 19535 4617 1 19 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.930 -1.895 19535 4618 1 19 . 1 1 18 18 ASP H H 18 8.623 8.623 8.612 0.011 19535 4619 1 19 . 1 1 19 19 CYS N N 19 119.788 119.788 121.580 -1.792 19535 4620 1 19 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.721 0.151 19535 4621 1 19 . 1 1 19 19 CYS C C 19 174.188 174.188 175.480 -1.292 19535 4622 1 19 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.557 -3.431 19535 4623 1 19 . 1 1 19 19 CYS CB C 19 36.169 36.169 28.960 7.209 19535 4624 1 19 . 1 1 19 19 CYS H H 19 8.370 8.370 8.620 -0.250 19535 4625 1 19 . 1 1 20 20 CYS N N 20 123.247 123.247 123.926 -0.679 19535 4626 1 19 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.302 0.306 19535 4627 1 19 . 1 1 20 20 CYS C C 20 175.514 175.514 175.613 -0.099 19535 4628 1 19 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.597 -3.253 19535 4629 1 19 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.375 11.836 19535 4630 1 19 . 1 1 20 20 CYS H H 20 9.556 9.556 8.873 0.683 19535 4631 1 19 . 1 1 21 21 GLY N N 21 109.083 109.083 106.134 2.949 19535 4632 1 19 . 1 1 21 21 GLY C C 21 171.945 171.945 173.103 -1.158 19535 4633 1 19 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.619 1.498 19535 4634 1 19 . 1 1 21 21 GLY H H 21 8.968 8.968 7.883 1.085 19535 4635 1 19 . 1 1 22 22 SER N N 22 121.727 121.727 114.842 6.885 19535 4636 1 19 . 1 1 22 22 SER HA H 22 4.798 4.798 4.651 0.147 19535 4637 1 19 . 1 1 22 22 SER C C 22 170.670 170.670 174.556 -3.886 19535 4638 1 19 . 1 1 22 22 SER CA C 22 57.668 57.668 58.108 -0.440 19535 4639 1 19 . 1 1 22 22 SER CB C 22 66.662 66.662 64.606 2.055 19535 4640 1 19 . 1 1 22 22 SER H H 22 9.116 9.116 8.161 0.955 19535 4641 1 19 . 1 1 23 23 CYS N N 23 123.558 123.558 124.010 -0.452 19535 4642 1 19 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.691 0.255 19535 4643 1 19 . 1 1 23 23 CYS C C 23 171.894 171.894 175.431 -3.537 19535 4644 1 19 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.573 -3.708 19535 4645 1 19 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.743 12.471 19535 4646 1 19 . 1 1 23 23 CYS H H 23 8.848 8.848 8.852 -0.004 19535 4647 1 19 . 1 1 24 24 LEU N N 24 131.578 131.578 127.535 4.043 19535 4648 1 19 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.649 0.097 19535 4649 1 19 . 1 1 24 24 LEU C C 24 175.871 175.871 175.940 -0.069 19535 4650 1 19 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.813 0.788 19535 4651 1 19 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.103 -0.881 19535 4652 1 19 . 1 1 24 24 LEU H H 24 8.582 8.582 8.627 -0.045 19535 4653 1 19 . 1 1 25 25 CYS N N 25 122.657 122.657 124.588 -1.931 19535 4654 1 19 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.623 0.709 19535 4655 1 19 . 1 1 25 25 CYS C C 25 173.806 173.806 175.376 -1.570 19535 4656 1 19 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.566 -3.999 19535 4657 1 19 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.795 18.500 19535 4658 1 19 . 1 1 25 25 CYS H H 25 8.832 8.832 8.965 -0.133 19535 4659 1 19 . 1 1 26 26 SER N N 26 117.664 117.664 118.937 -1.273 19535 4660 1 19 . 1 1 26 26 SER HA H 26 4.648 4.648 4.469 0.179 19535 4661 1 19 . 1 1 26 26 SER C C 26 173.194 173.194 174.013 -0.819 19535 4662 1 19 . 1 1 26 26 SER CA C 26 58.458 58.458 58.296 0.162 19535 4663 1 19 . 1 1 26 26 SER CB C 26 64.218 64.218 63.864 0.354 19535 4664 1 19 . 1 1 26 26 SER H H 26 8.550 8.550 8.422 0.128 19535 4665 1 19 . 1 1 27 27 ASN N N 27 120.609 120.609 126.353 -5.744 19535 4666 1 19 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.877 0.077 19535 4667 1 19 . 1 1 27 27 ASN C C 27 174.341 174.341 175.506 -1.165 19535 4668 1 19 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.408 1.090 19535 4669 1 19 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.582 -0.181 19535 4670 1 19 . 1 1 27 27 ASN H H 27 8.663 8.663 8.745 -0.082 19535 4671 1 19 . 1 1 28 28 GLY N N 28 109.128 109.128 109.513 -0.385 19535 4672 1 19 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.278 1.015 19535 4673 1 19 . 1 1 28 28 GLY H H 28 8.232 8.232 7.742 0.490 19535 4674 1 19 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.392 0.181 19535 4675 1 19 . 1 1 29 29 PRO C C 29 176.100 176.100 176.224 -0.124 19535 4676 1 19 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.136 0.310 19535 4677 1 19 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.312 -0.171 19535 4678 1 19 . 1 1 30 30 ILE N N 30 120.101 120.101 122.711 -2.610 19535 4679 1 19 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.321 -0.063 19535 4680 1 19 . 1 1 30 30 ILE C C 30 174.928 174.928 175.750 -0.822 19535 4681 1 19 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.958 0.206 19535 4682 1 19 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.186 0.822 19535 4683 1 19 . 1 1 30 30 ILE H H 30 8.059 8.059 8.360 -0.301 19535 4684 1 19 . 1 1 31 31 ALA N N 31 127.003 127.003 130.067 -3.064 19535 4685 1 19 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.520 -0.088 19535 4686 1 19 . 1 1 31 31 ALA C C 31 176.355 176.355 177.452 -1.097 19535 4687 1 19 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.596 0.300 19535 4688 1 19 . 1 1 31 31 ALA CB C 31 19.465 19.465 20.078 -0.613 19535 4689 1 19 . 1 1 31 31 ALA H H 31 8.303 8.303 8.762 -0.459 19535 4690 1 19 . 1 1 32 32 ARG N N 32 118.980 118.980 120.453 -1.473 19535 4691 1 19 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.918 -0.439 19535 4692 1 19 . 1 1 32 32 ARG CA C 32 53.593 53.593 52.932 0.661 19535 4693 1 19 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.561 -0.209 19535 4694 1 19 . 1 1 32 32 ARG H H 32 7.910 7.910 8.241 -0.331 19535 4695 1 19 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.741 -0.352 19535 4696 1 19 . 1 1 33 33 PRO C C 33 175.947 175.947 176.866 -0.919 19535 4697 1 19 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.261 0.298 19535 4698 1 19 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.920 0.015 19535 4699 1 19 . 1 1 34 34 TRP N N 34 116.547 116.547 118.002 -1.455 19535 4700 1 19 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.544 0.226 19535 4701 1 19 . 1 1 34 34 TRP C C 34 175.488 175.488 177.088 -1.600 19535 4702 1 19 . 1 1 34 34 TRP CA C 34 57.887 57.887 59.657 -1.770 19535 4703 1 19 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.166 -0.578 19535 4704 1 19 . 1 1 34 34 TRP H H 34 7.479 7.479 8.313 -0.834 19535 4705 1 19 . 1 1 35 35 GLU N N 35 120.618 120.618 115.848 4.770 19535 4706 1 19 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.537 -0.155 19535 4707 1 19 . 1 1 35 35 GLU C C 35 174.902 174.902 177.147 -2.245 19535 4708 1 19 . 1 1 35 35 GLU CA C 35 56.567 56.567 56.676 -0.109 19535 4709 1 19 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.550 -2.230 19535 4710 1 19 . 1 1 35 35 GLU H H 35 7.817 7.817 7.822 -0.005 19535 4711 1 19 . 1 1 36 36 MET N N 36 119.553 119.553 120.903 -1.350 19535 4712 1 19 . 1 1 36 36 MET HA H 36 4.535 4.535 4.731 -0.196 19535 4713 1 19 . 1 1 36 36 MET C C 36 175.182 175.182 174.611 0.571 19535 4714 1 19 . 1 1 36 36 MET CA C 36 56.026 56.026 53.992 2.034 19535 4715 1 19 . 1 1 36 36 MET CB C 36 33.032 33.032 31.854 1.178 19535 4716 1 19 . 1 1 36 36 MET H H 36 8.132 8.132 8.404 -0.272 19535 4717 1 19 . 1 1 37 37 MET N N 37 120.609 120.609 124.646 -4.037 19535 4718 1 19 . 1 1 37 37 MET HA H 37 4.629 4.629 4.604 0.025 19535 4719 1 19 . 1 1 37 37 MET C C 37 175.081 175.081 175.319 -0.238 19535 4720 1 19 . 1 1 37 37 MET CA C 37 56.043 56.043 55.055 0.988 19535 4721 1 19 . 1 1 37 37 MET CB C 37 33.041 33.041 31.654 1.387 19535 4722 1 19 . 1 1 37 37 MET H H 37 8.289 8.289 8.515 -0.226 19535 4723 1 19 . 1 1 38 38 VAL N N 38 119.594 119.594 120.058 -0.464 19535 4724 1 19 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.481 -0.143 19535 4725 1 19 . 1 1 38 38 VAL C C 38 175.335 175.335 175.365 -0.030 19535 4726 1 19 . 1 1 38 38 VAL CA C 38 62.647 62.647 60.767 1.880 19535 4727 1 19 . 1 1 38 38 VAL CB C 38 32.887 32.887 33.133 -0.245 19535 4728 1 19 . 1 1 38 38 VAL H H 38 8.054 8.054 7.749 0.305 19535 4729 1 19 . 1 1 39 39 GLY N N 39 111.351 111.351 113.123 -1.772 19535 4730 1 19 . 1 1 39 39 GLY C C 39 172.429 172.429 173.562 -1.133 19535 4731 1 19 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.921 0.552 19535 4732 1 19 . 1 1 39 39 GLY H H 39 8.329 8.329 8.734 -0.405 19535 4733 1 19 . 1 1 40 40 ASN N N 40 118.075 118.075 117.528 0.547 19535 4734 1 19 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.845 0.100 19535 4735 1 19 . 1 1 40 40 ASN C C 40 173.984 173.984 173.692 0.292 19535 4736 1 19 . 1 1 40 40 ASN CA C 40 53.754 53.754 51.910 1.843 19535 4737 1 19 . 1 1 40 40 ASN CB C 40 39.972 39.972 40.005 -0.033 19535 4738 1 19 . 1 1 40 40 ASN H H 40 8.359 8.359 7.752 0.607 19535 4739 1 19 . 1 1 41 41 CYS N N 41 120.609 120.609 118.834 1.775 19535 4740 1 19 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.750 0.788 19535 4741 1 19 . 1 1 41 41 CYS C C 41 172.689 172.689 173.854 -1.165 19535 4742 1 19 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.360 -2.043 19535 4743 1 19 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.248 20.161 19535 4744 1 19 . 1 1 41 41 CYS H H 41 8.653 8.653 8.659 -0.006 19535 4745 1 19 . 1 1 42 42 MET N N 42 120.998 120.998 120.759 0.239 19535 4746 1 19 . 1 1 42 42 MET HA H 42 5.164 5.164 4.791 0.373 19535 4747 1 19 . 1 1 42 42 MET C C 42 175.208 175.208 175.272 -0.064 19535 4748 1 19 . 1 1 42 42 MET CA C 42 54.853 54.853 54.293 0.560 19535 4749 1 19 . 1 1 42 42 MET CB C 42 37.960 37.960 37.832 0.128 19535 4750 1 19 . 1 1 42 42 MET H H 42 8.967 8.967 8.358 0.609 19535 4751 1 19 . 1 1 43 43 CYS N N 43 122.297 122.297 118.215 4.082 19535 4752 1 19 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.386 1.119 19535 4753 1 19 . 1 1 43 43 CYS C C 43 175.820 175.820 175.060 0.760 19535 4754 1 19 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.251 -6.757 19535 4755 1 19 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.980 8.727 19535 4756 1 19 . 1 1 43 43 CYS H H 43 9.478 9.478 8.248 1.230 19535 4757 1 19 . 1 1 44 44 GLY N N 44 114.932 114.932 108.662 6.270 19535 4758 1 19 . 1 1 44 44 GLY CA C 44 45.625 45.625 44.015 1.610 19535 4759 1 19 . 1 1 44 44 GLY H H 44 9.712 9.712 7.723 1.989 19535 4760 1 19 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.526 0.090 19535 4761 1 19 . 1 1 45 45 PRO C C 45 175.386 175.386 176.282 -0.896 19535 4762 1 19 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.760 0.180 19535 4763 1 19 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.521 -0.296 19535 4764 1 19 . 1 1 46 46 LYS N N 46 121.021 121.021 122.358 -1.337 19535 4765 1 19 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.263 0.015 19535 4766 1 19 . 1 1 46 46 LYS C C 46 174.902 174.902 176.204 -1.302 19535 4767 1 19 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.502 0.305 19535 4768 1 19 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.374 1.159 19535 4769 1 19 . 1 1 46 46 LYS H H 46 8.421 8.421 8.205 0.216 19535 4770 1 20 . 1 1 2 2 LYS N N 2 122.024 122.024 123.602 -1.578 19535 4771 1 20 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.444 0.085 19535 4772 1 20 . 1 1 2 2 LYS C C 2 175.284 175.284 175.244 0.040 19535 4773 1 20 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.276 0.482 19535 4774 1 20 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.324 0.030 19535 4775 1 20 . 1 1 2 2 LYS H H 2 8.776 8.776 8.041 0.735 19535 4776 1 20 . 1 1 3 3 GLU N N 3 122.436 122.436 121.586 0.850 19535 4777 1 20 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.556 0.048 19535 4778 1 20 . 1 1 3 3 GLU C C 3 174.367 174.367 176.167 -1.800 19535 4779 1 20 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.622 0.299 19535 4780 1 20 . 1 1 3 3 GLU CB C 3 29.309 29.309 29.241 0.068 19535 4781 1 20 . 1 1 3 3 GLU H H 3 8.583 8.583 8.482 0.101 19535 4782 1 20 . 1 1 4 4 CYS N N 4 117.664 117.664 119.451 -1.787 19535 4783 1 20 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.998 -0.012 19535 4784 1 20 . 1 1 4 4 CYS C C 4 172.658 172.658 174.111 -1.453 19535 4785 1 20 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.350 -2.200 19535 4786 1 20 . 1 1 4 4 CYS CB C 4 42.390 42.390 29.892 12.498 19535 4787 1 20 . 1 1 4 4 CYS H H 4 8.165 8.165 8.490 -0.325 19535 4788 1 20 . 1 1 5 5 MET N N 5 118.071 118.071 120.127 -2.056 19535 4789 1 20 . 1 1 5 5 MET HA H 5 4.863 4.863 4.843 0.020 19535 4790 1 20 . 1 1 5 5 MET C C 5 175.055 175.055 175.965 -0.910 19535 4791 1 20 . 1 1 5 5 MET CA C 5 55.789 55.789 54.614 1.175 19535 4792 1 20 . 1 1 5 5 MET CB C 5 34.599 34.599 35.079 -0.480 19535 4793 1 20 . 1 1 5 5 MET H H 5 9.075 9.075 8.777 0.298 19535 4794 1 20 . 1 1 6 6 THR N N 6 116.953 116.953 114.022 2.931 19535 4795 1 20 . 1 1 6 6 THR HA H 6 4.224 4.224 4.518 -0.294 19535 4796 1 20 . 1 1 6 6 THR C C 6 174.188 174.188 174.065 0.123 19535 4797 1 20 . 1 1 6 6 THR CA C 6 61.777 61.777 60.159 1.618 19535 4798 1 20 . 1 1 6 6 THR CB C 6 70.305 70.305 69.455 0.850 19535 4799 1 20 . 1 1 6 6 THR H H 6 8.492 8.492 8.469 0.023 19535 4800 1 20 . 1 1 7 7 ASP N N 7 123.270 123.270 119.268 4.002 19535 4801 1 20 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.300 -0.204 19535 4802 1 20 . 1 1 7 7 ASP C C 7 175.284 175.284 177.285 -2.001 19535 4803 1 20 . 1 1 7 7 ASP CA C 7 55.824 55.824 55.690 0.134 19535 4804 1 20 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.792 -1.581 19535 4805 1 20 . 1 1 7 7 ASP H H 7 8.643 8.643 8.435 0.208 19535 4806 1 20 . 1 1 8 8 GLY N N 8 111.423 111.423 110.070 1.353 19535 4807 1 20 . 1 1 8 8 GLY C C 8 173.117 173.117 174.749 -1.632 19535 4808 1 20 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.018 0.082 19535 4809 1 20 . 1 1 8 8 GLY H H 8 9.329 9.329 8.402 0.927 19535 4810 1 20 . 1 1 9 9 THR N N 9 116.646 116.646 119.508 -2.862 19535 4811 1 20 . 1 1 9 9 THR HA H 9 4.320 4.320 4.505 -0.185 19535 4812 1 20 . 1 1 9 9 THR C C 9 172.913 172.913 174.551 -1.638 19535 4813 1 20 . 1 1 9 9 THR CA C 9 63.312 63.312 62.376 0.936 19535 4814 1 20 . 1 1 9 9 THR CB C 9 70.010 70.010 69.484 0.526 19535 4815 1 20 . 1 1 9 9 THR H H 9 7.695 7.695 7.505 0.190 19535 4816 1 20 . 1 1 10 10 VAL N N 10 127.413 127.413 126.774 0.639 19535 4817 1 20 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.618 0.606 19535 4818 1 20 . 1 1 10 10 VAL C C 10 173.194 173.194 175.947 -2.753 19535 4819 1 20 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.373 0.086 19535 4820 1 20 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.645 0.380 19535 4821 1 20 . 1 1 10 10 VAL H H 10 8.605 8.605 8.619 -0.014 19535 4822 1 20 . 1 1 11 11 CYS N N 11 120.712 120.712 122.728 -2.016 19535 4823 1 20 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.941 0.043 19535 4824 1 20 . 1 1 11 11 CYS C C 11 169.701 169.701 172.362 -2.661 19535 4825 1 20 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.424 -2.636 19535 4826 1 20 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.978 18.190 19535 4827 1 20 . 1 1 11 11 CYS H H 11 7.743 7.743 8.155 -0.412 19535 4828 1 20 . 1 1 12 12 TYR N N 12 117.867 117.867 117.574 0.293 19535 4829 1 20 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.836 0.131 19535 4830 1 20 . 1 1 12 12 TYR C C 12 175.577 175.577 176.555 -0.978 19535 4831 1 20 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.706 -0.968 19535 4832 1 20 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.318 -1.844 19535 4833 1 20 . 1 1 12 12 TYR H H 12 8.324 8.324 8.219 0.105 19535 4834 1 20 . 1 1 13 13 ILE N N 13 122.840 122.840 123.782 -0.942 19535 4835 1 20 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.995 0.080 19535 4836 1 20 . 1 1 13 13 ILE C C 13 175.629 175.629 176.670 -1.041 19535 4837 1 20 . 1 1 13 13 ILE CA C 13 62.842 62.842 63.317 -0.475 19535 4838 1 20 . 1 1 13 13 ILE CB C 13 38.172 38.172 38.353 -0.181 19535 4839 1 20 . 1 1 13 13 ILE H H 13 8.502 8.502 8.801 -0.299 19535 4840 1 20 . 1 1 14 14 HIS N N 14 117.156 117.156 118.579 -1.423 19535 4841 1 20 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.810 0.088 19535 4842 1 20 . 1 1 14 14 HIS C C 14 173.219 173.219 174.361 -1.142 19535 4843 1 20 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.862 0.001 19535 4844 1 20 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.223 -0.875 19535 4845 1 20 . 1 1 14 14 HIS H H 14 8.437 8.437 8.307 0.130 19535 4846 1 20 . 1 1 15 15 ASN N N 15 117.243 117.243 118.727 -1.484 19535 4847 1 20 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.700 0.237 19535 4848 1 20 . 1 1 15 15 ASN C C 15 174.010 174.010 174.276 -0.266 19535 4849 1 20 . 1 1 15 15 ASN CA C 15 53.123 53.123 52.997 0.126 19535 4850 1 20 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.366 0.380 19535 4851 1 20 . 1 1 15 15 ASN H H 15 7.934 7.934 7.701 0.233 19535 4852 1 20 . 1 1 16 16 HIS N N 16 118.072 118.072 117.380 0.692 19535 4853 1 20 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.196 0.439 19535 4854 1 20 . 1 1 16 16 HIS C C 16 173.449 173.449 173.830 -0.381 19535 4855 1 20 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.298 -0.658 19535 4856 1 20 . 1 1 16 16 HIS CB C 16 28.451 28.451 28.298 0.153 19535 4857 1 20 . 1 1 16 16 HIS H H 16 8.402 8.402 8.435 -0.033 19535 4858 1 20 . 1 1 17 17 ASN N N 17 120.144 120.144 117.745 2.399 19535 4859 1 20 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.776 0.139 19535 4860 1 20 . 1 1 17 17 ASN C C 17 173.857 173.857 174.715 -0.858 19535 4861 1 20 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.269 0.248 19535 4862 1 20 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.111 0.044 19535 4863 1 20 . 1 1 17 17 ASN H H 17 8.567 8.567 7.934 0.633 19535 4864 1 20 . 1 1 18 18 ASP N N 18 121.570 121.570 124.694 -3.124 19535 4865 1 20 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.853 0.229 19535 4866 1 20 . 1 1 18 18 ASP C C 18 175.565 175.565 174.261 1.304 19535 4867 1 20 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.572 -0.235 19535 4868 1 20 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.604 -1.569 19535 4869 1 20 . 1 1 18 18 ASP H H 18 8.623 8.623 8.618 0.005 19535 4870 1 20 . 1 1 19 19 CYS N N 19 119.788 119.788 120.607 -0.819 19535 4871 1 20 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.700 0.172 19535 4872 1 20 . 1 1 19 19 CYS C C 19 174.188 174.188 175.661 -1.473 19535 4873 1 20 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.535 -3.409 19535 4874 1 20 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.204 6.965 19535 4875 1 20 . 1 1 19 19 CYS H H 19 8.370 8.370 8.699 -0.329 19535 4876 1 20 . 1 1 20 20 CYS N N 20 123.247 123.247 124.305 -1.058 19535 4877 1 20 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.298 0.310 19535 4878 1 20 . 1 1 20 20 CYS C C 20 175.514 175.514 175.365 0.149 19535 4879 1 20 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.538 -3.194 19535 4880 1 20 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.342 11.869 19535 4881 1 20 . 1 1 20 20 CYS H H 20 9.556 9.556 9.027 0.529 19535 4882 1 20 . 1 1 21 21 GLY N N 21 109.083 109.083 106.298 2.785 19535 4883 1 20 . 1 1 21 21 GLY C C 21 171.945 171.945 173.061 -1.116 19535 4884 1 20 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.858 1.259 19535 4885 1 20 . 1 1 21 21 GLY H H 21 8.968 8.968 7.960 1.008 19535 4886 1 20 . 1 1 22 22 SER N N 22 121.727 121.727 114.589 7.138 19535 4887 1 20 . 1 1 22 22 SER HA H 22 4.798 4.798 4.696 0.102 19535 4888 1 20 . 1 1 22 22 SER C C 22 170.670 170.670 174.780 -4.110 19535 4889 1 20 . 1 1 22 22 SER CA C 22 57.668 57.668 57.766 -0.098 19535 4890 1 20 . 1 1 22 22 SER CB C 22 66.662 66.662 64.622 2.040 19535 4891 1 20 . 1 1 22 22 SER H H 22 9.116 9.116 8.086 1.030 19535 4892 1 20 . 1 1 23 23 CYS N N 23 123.558 123.558 124.372 -0.814 19535 4893 1 20 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.703 0.243 19535 4894 1 20 . 1 1 23 23 CYS C C 23 171.894 171.894 175.289 -3.395 19535 4895 1 20 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.622 -3.757 19535 4896 1 20 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.841 12.373 19535 4897 1 20 . 1 1 23 23 CYS H H 23 8.848 8.848 8.846 0.002 19535 4898 1 20 . 1 1 24 24 LEU N N 24 131.578 131.578 127.390 4.188 19535 4899 1 20 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.657 0.089 19535 4900 1 20 . 1 1 24 24 LEU C C 24 175.871 175.871 175.944 -0.073 19535 4901 1 20 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.802 0.799 19535 4902 1 20 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.249 -1.027 19535 4903 1 20 . 1 1 24 24 LEU H H 24 8.582 8.582 8.660 -0.078 19535 4904 1 20 . 1 1 25 25 CYS N N 25 122.657 122.657 124.090 -1.433 19535 4905 1 20 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.643 0.689 19535 4906 1 20 . 1 1 25 25 CYS C C 25 173.806 173.806 175.638 -1.832 19535 4907 1 20 . 1 1 25 25 CYS CA C 25 54.567 54.567 57.937 -3.370 19535 4908 1 20 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.336 18.959 19535 4909 1 20 . 1 1 25 25 CYS H H 25 8.832 8.832 8.986 -0.154 19535 4910 1 20 . 1 1 26 26 SER N N 26 117.664 117.664 119.646 -1.982 19535 4911 1 20 . 1 1 26 26 SER HA H 26 4.648 4.648 4.518 0.130 19535 4912 1 20 . 1 1 26 26 SER C C 26 173.194 173.194 174.942 -1.748 19535 4913 1 20 . 1 1 26 26 SER CA C 26 58.458 58.458 58.424 0.034 19535 4914 1 20 . 1 1 26 26 SER CB C 26 64.218 64.218 64.086 0.132 19535 4915 1 20 . 1 1 26 26 SER H H 26 8.550 8.550 8.501 0.049 19535 4916 1 20 . 1 1 27 27 ASN N N 27 120.609 120.609 123.403 -2.794 19535 4917 1 20 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.887 0.067 19535 4918 1 20 . 1 1 27 27 ASN C C 27 174.341 174.341 176.046 -1.705 19535 4919 1 20 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.161 1.337 19535 4920 1 20 . 1 1 27 27 ASN CB C 27 39.401 39.401 38.244 1.157 19535 4921 1 20 . 1 1 27 27 ASN H H 27 8.663 8.663 8.569 0.094 19535 4922 1 20 . 1 1 28 28 GLY N N 28 109.128 109.128 109.582 -0.454 19535 4923 1 20 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.241 1.052 19535 4924 1 20 . 1 1 28 28 GLY H H 28 8.232 8.232 7.773 0.459 19535 4925 1 20 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.390 0.183 19535 4926 1 20 . 1 1 29 29 PRO C C 29 176.100 176.100 176.255 -0.155 19535 4927 1 20 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.137 0.309 19535 4928 1 20 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.090 0.051 19535 4929 1 20 . 1 1 30 30 ILE N N 30 120.101 120.101 118.268 1.833 19535 4930 1 20 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.568 -0.310 19535 4931 1 20 . 1 1 30 30 ILE C C 30 174.928 174.928 175.407 -0.479 19535 4932 1 20 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.249 0.915 19535 4933 1 20 . 1 1 30 30 ILE CB C 30 39.008 39.008 37.961 1.047 19535 4934 1 20 . 1 1 30 30 ILE H H 30 8.059 8.059 8.138 -0.079 19535 4935 1 20 . 1 1 31 31 ALA N N 31 127.003 127.003 130.984 -3.981 19535 4936 1 20 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.348 0.084 19535 4937 1 20 . 1 1 31 31 ALA C C 31 176.355 176.355 177.621 -1.266 19535 4938 1 20 . 1 1 31 31 ALA CA C 31 52.896 52.896 53.379 -0.483 19535 4939 1 20 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.584 -0.119 19535 4940 1 20 . 1 1 31 31 ALA H H 31 8.303 8.303 8.864 -0.561 19535 4941 1 20 . 1 1 32 32 ARG N N 32 118.980 118.980 118.172 0.808 19535 4942 1 20 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.801 -0.322 19535 4943 1 20 . 1 1 32 32 ARG CA C 32 53.593 53.593 52.960 0.633 19535 4944 1 20 . 1 1 32 32 ARG CB C 32 30.351 30.351 29.631 0.720 19535 4945 1 20 . 1 1 32 32 ARG H H 32 7.910 7.910 8.197 -0.287 19535 4946 1 20 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.959 -0.570 19535 4947 1 20 . 1 1 33 33 PRO C C 33 175.947 175.947 177.227 -1.280 19535 4948 1 20 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.140 0.419 19535 4949 1 20 . 1 1 33 33 PRO CB C 33 31.935 31.935 32.092 -0.157 19535 4950 1 20 . 1 1 34 34 TRP N N 34 116.547 116.547 118.032 -1.485 19535 4951 1 20 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.585 0.185 19535 4952 1 20 . 1 1 34 34 TRP C C 34 175.488 175.488 177.381 -1.893 19535 4953 1 20 . 1 1 34 34 TRP CA C 34 57.887 57.887 59.102 -1.215 19535 4954 1 20 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.281 -0.693 19535 4955 1 20 . 1 1 34 34 TRP H H 34 7.479 7.479 8.211 -0.732 19535 4956 1 20 . 1 1 35 35 GLU N N 35 120.618 120.618 116.363 4.255 19535 4957 1 20 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.438 -0.056 19535 4958 1 20 . 1 1 35 35 GLU C C 35 174.902 174.902 177.151 -2.249 19535 4959 1 20 . 1 1 35 35 GLU CA C 35 56.567 56.567 56.896 -0.329 19535 4960 1 20 . 1 1 35 35 GLU CB C 35 29.320 29.320 30.842 -1.522 19535 4961 1 20 . 1 1 35 35 GLU H H 35 7.817 7.817 7.825 -0.008 19535 4962 1 20 . 1 1 36 36 MET N N 36 119.553 119.553 119.946 -0.393 19535 4963 1 20 . 1 1 36 36 MET HA H 36 4.535 4.535 4.650 -0.115 19535 4964 1 20 . 1 1 36 36 MET C C 36 175.182 175.182 174.537 0.645 19535 4965 1 20 . 1 1 36 36 MET CA C 36 56.026 56.026 54.794 1.232 19535 4966 1 20 . 1 1 36 36 MET CB C 36 33.032 33.032 34.270 -1.238 19535 4967 1 20 . 1 1 36 36 MET H H 36 8.132 8.132 7.675 0.457 19535 4968 1 20 . 1 1 37 37 MET N N 37 120.609 120.609 126.519 -5.910 19535 4969 1 20 . 1 1 37 37 MET HA H 37 4.629 4.629 4.472 0.157 19535 4970 1 20 . 1 1 37 37 MET C C 37 175.081 175.081 175.718 -0.637 19535 4971 1 20 . 1 1 37 37 MET CA C 37 56.043 56.043 55.508 0.535 19535 4972 1 20 . 1 1 37 37 MET CB C 37 33.041 33.041 31.905 1.136 19535 4973 1 20 . 1 1 37 37 MET H H 37 8.289 8.289 8.830 -0.541 19535 4974 1 20 . 1 1 38 38 VAL N N 38 119.594 119.594 123.134 -3.540 19535 4975 1 20 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.467 -0.129 19535 4976 1 20 . 1 1 38 38 VAL C C 38 175.335 175.335 175.265 0.070 19535 4977 1 20 . 1 1 38 38 VAL CA C 38 62.647 62.647 59.778 2.869 19535 4978 1 20 . 1 1 38 38 VAL CB C 38 32.887 32.887 29.949 2.938 19535 4979 1 20 . 1 1 38 38 VAL H H 38 8.054 8.054 8.015 0.039 19535 4980 1 20 . 1 1 39 39 GLY N N 39 111.351 111.351 112.577 -1.226 19535 4981 1 20 . 1 1 39 39 GLY C C 39 172.429 172.429 173.841 -1.412 19535 4982 1 20 . 1 1 39 39 GLY CA C 39 45.473 45.473 45.329 0.144 19535 4983 1 20 . 1 1 39 39 GLY H H 39 8.329 8.329 8.013 0.316 19535 4984 1 20 . 1 1 40 40 ASN N N 40 118.075 118.075 120.334 -2.259 19535 4985 1 20 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.875 0.070 19535 4986 1 20 . 1 1 40 40 ASN C C 40 173.984 173.984 173.429 0.555 19535 4987 1 20 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.402 1.352 19535 4988 1 20 . 1 1 40 40 ASN CB C 40 39.972 39.972 42.079 -2.107 19535 4989 1 20 . 1 1 40 40 ASN H H 40 8.359 8.359 7.853 0.506 19535 4990 1 20 . 1 1 41 41 CYS N N 41 120.609 120.609 118.711 1.898 19535 4991 1 20 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.748 0.790 19535 4992 1 20 . 1 1 41 41 CYS C C 41 172.689 172.689 173.847 -1.158 19535 4993 1 20 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.145 -1.828 19535 4994 1 20 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.331 20.078 19535 4995 1 20 . 1 1 41 41 CYS H H 41 8.653 8.653 8.652 0.001 19535 4996 1 20 . 1 1 42 42 MET N N 42 120.998 120.998 121.057 -0.059 19535 4997 1 20 . 1 1 42 42 MET HA H 42 5.164 5.164 4.778 0.386 19535 4998 1 20 . 1 1 42 42 MET C C 42 175.208 175.208 175.562 -0.354 19535 4999 1 20 . 1 1 42 42 MET CA C 42 54.853 54.853 53.845 1.008 19535 5000 1 20 . 1 1 42 42 MET CB C 42 37.960 37.960 37.033 0.927 19535 5001 1 20 . 1 1 42 42 MET H H 42 8.967 8.967 8.333 0.634 19535 5002 1 20 . 1 1 43 43 CYS N N 43 122.297 122.297 118.588 3.709 19535 5003 1 20 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.382 1.123 19535 5004 1 20 . 1 1 43 43 CYS C C 43 175.820 175.820 175.206 0.614 19535 5005 1 20 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.341 -6.847 19535 5006 1 20 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.875 8.832 19535 5007 1 20 . 1 1 43 43 CYS H H 43 9.478 9.478 8.261 1.217 19535 5008 1 20 . 1 1 44 44 GLY N N 44 114.932 114.932 108.855 6.077 19535 5009 1 20 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.839 1.786 19535 5010 1 20 . 1 1 44 44 GLY H H 44 9.712 9.712 7.786 1.926 19535 5011 1 20 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.460 0.156 19535 5012 1 20 . 1 1 45 45 PRO C C 45 175.386 175.386 176.351 -0.965 19535 5013 1 20 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.624 0.316 19535 5014 1 20 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.659 -0.434 19535 5015 1 20 . 1 1 46 46 LYS N N 46 121.021 121.021 122.663 -1.642 19535 5016 1 20 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.272 0.006 19535 5017 1 20 . 1 1 46 46 LYS C C 46 174.902 174.902 176.147 -1.245 19535 5018 1 20 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.801 0.006 19535 5019 1 20 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.745 0.788 19535 5020 1 20 . 1 1 46 46 LYS H H 46 8.421 8.421 8.440 -0.019 19535 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 42 3.213 0.106 3.250 19535 2 1 1 "Average Difference" HA 50 0.339 -0.125 0.318 19535 3 1 1 "Average Difference" C 42 1.490 0.929 1.179 19535 4 1 1 "Average Difference" CA 45 1.802 0.235 1.806 19535 5 1 1 "Average Difference" CB 40 6.425 -2.632 5.936 19535 6 1 1 "Average Difference" HN 42 0.563 -0.174 0.542 19535 7 1 2 "Average Difference" N 42 3.185 0.324 3.207 19535 8 1 2 "Average Difference" HA 50 0.338 -0.135 0.313 19535 9 1 2 "Average Difference" C 42 1.515 1.014 1.138 19535 10 1 2 "Average Difference" CA 45 1.783 0.231 1.788 19535 11 1 2 "Average Difference" CB 40 6.407 -2.566 5.946 19535 12 1 2 "Average Difference" HN 42 0.557 -0.174 0.535 19535 13 1 3 "Average Difference" N 42 2.986 0.115 3.020 19535 14 1 3 "Average Difference" HA 50 0.336 -0.142 0.307 19535 15 1 3 "Average Difference" C 42 1.521 1.059 1.106 19535 16 1 3 "Average Difference" CA 45 1.767 0.297 1.761 19535 17 1 3 "Average Difference" CB 40 6.464 -2.659 5.967 19535 18 1 3 "Average Difference" HN 42 0.581 -0.224 0.543 19535 19 1 4 "Average Difference" N 42 3.108 0.076 3.144 19535 20 1 4 "Average Difference" HA 50 0.331 -0.142 0.302 19535 21 1 4 "Average Difference" C 42 1.560 1.090 1.130 19535 22 1 4 "Average Difference" CA 45 1.750 0.228 1.754 19535 23 1 4 "Average Difference" CB 40 6.472 -2.708 5.953 19535 24 1 4 "Average Difference" HN 42 0.527 -0.194 0.496 19535 25 1 5 "Average Difference" N 42 3.267 0.475 3.271 19535 26 1 5 "Average Difference" HA 50 0.335 -0.132 0.311 19535 27 1 5 "Average Difference" C 42 1.580 1.072 1.175 19535 28 1 5 "Average Difference" CA 45 1.808 0.260 1.810 19535 29 1 5 "Average Difference" CB 40 6.520 -2.650 6.033 19535 30 1 5 "Average Difference" HN 42 0.580 -0.160 0.565 19535 31 1 6 "Average Difference" N 42 3.163 0.311 3.185 19535 32 1 6 "Average Difference" HA 50 0.329 -0.122 0.308 19535 33 1 6 "Average Difference" C 42 1.553 1.078 1.132 19535 34 1 6 "Average Difference" CA 45 1.866 0.274 1.867 19535 35 1 6 "Average Difference" CB 40 6.526 -2.651 6.039 19535 36 1 6 "Average Difference" HN 42 0.548 -0.161 0.530 19535 37 1 7 "Average Difference" N 42 3.295 -0.140 3.332 19535 38 1 7 "Average Difference" HA 50 0.338 -0.129 0.315 19535 39 1 7 "Average Difference" C 42 1.506 0.981 1.157 19535 40 1 7 "Average Difference" CA 45 1.787 0.252 1.790 19535 41 1 7 "Average Difference" CB 40 6.506 -2.662 6.012 19535 42 1 7 "Average Difference" HN 42 0.557 -0.197 0.527 19535 43 1 8 "Average Difference" N 42 2.946 0.292 2.967 19535 44 1 8 "Average Difference" HA 50 0.336 -0.123 0.316 19535 45 1 8 "Average Difference" C 42 1.509 1.051 1.096 19535 46 1 8 "Average Difference" CA 45 1.709 0.280 1.705 19535 47 1 8 "Average Difference" CB 40 6.544 -2.706 6.034 19535 48 1 8 "Average Difference" HN 42 0.567 -0.199 0.537 19535 49 1 9 "Average Difference" N 42 2.959 -0.034 2.995 19535 50 1 9 "Average Difference" HA 50 0.334 -0.116 0.317 19535 51 1 9 "Average Difference" C 42 1.445 0.984 1.071 19535 52 1 9 "Average Difference" CA 45 1.710 0.176 1.721 19535 53 1 9 "Average Difference" CB 40 6.557 -2.676 6.062 19535 54 1 9 "Average Difference" HN 42 0.528 -0.179 0.502 19535 55 1 10 "Average Difference" N 42 2.946 0.034 2.981 19535 56 1 10 "Average Difference" HA 50 0.324 -0.130 0.300 19535 57 1 10 "Average Difference" C 42 1.576 1.015 1.220 19535 58 1 10 "Average Difference" CA 45 1.874 0.261 1.877 19535 59 1 10 "Average Difference" CB 40 6.510 -2.654 6.020 19535 60 1 10 "Average Difference" HN 42 0.540 -0.168 0.519 19535 61 1 11 "Average Difference" N 42 2.982 0.054 3.017 19535 62 1 11 "Average Difference" HA 50 0.346 -0.137 0.321 19535 63 1 11 "Average Difference" C 42 1.598 1.149 1.124 19535 64 1 11 "Average Difference" CA 45 1.833 0.236 1.838 19535 65 1 11 "Average Difference" CB 40 6.529 -2.620 6.057 19535 66 1 11 "Average Difference" HN 42 0.565 -0.146 0.552 19535 67 1 12 "Average Difference" N 42 3.028 0.055 3.064 19535 68 1 12 "Average Difference" HA 50 0.337 -0.135 0.312 19535 69 1 12 "Average Difference" C 42 1.520 1.068 1.095 19535 70 1 12 "Average Difference" CA 45 1.775 0.204 1.783 19535 71 1 12 "Average Difference" CB 40 6.544 -2.810 5.986 19535 72 1 12 "Average Difference" HN 42 0.545 -0.183 0.519 19535 73 1 13 "Average Difference" N 42 2.944 0.047 2.979 19535 74 1 13 "Average Difference" HA 50 0.340 -0.138 0.313 19535 75 1 13 "Average Difference" C 42 1.548 1.009 1.188 19535 76 1 13 "Average Difference" CA 45 1.823 0.249 1.826 19535 77 1 13 "Average Difference" CB 40 6.528 -2.567 6.078 19535 78 1 13 "Average Difference" HN 42 0.545 -0.161 0.527 19535 79 1 14 "Average Difference" N 42 2.933 -0.289 2.954 19535 80 1 14 "Average Difference" HA 50 0.350 -0.143 0.323 19535 81 1 14 "Average Difference" C 42 1.504 1.052 1.089 19535 82 1 14 "Average Difference" CA 45 1.807 0.264 1.808 19535 83 1 14 "Average Difference" CB 40 6.516 -2.682 6.015 19535 84 1 14 "Average Difference" HN 42 0.523 -0.203 0.488 19535 85 1 15 "Average Difference" N 42 2.985 0.365 2.999 19535 86 1 15 "Average Difference" HA 50 0.327 -0.130 0.303 19535 87 1 15 "Average Difference" C 42 1.544 1.003 1.188 19535 88 1 15 "Average Difference" CA 45 1.723 0.286 1.718 19535 89 1 15 "Average Difference" CB 40 6.528 -2.543 6.089 19535 90 1 15 "Average Difference" HN 42 0.543 -0.164 0.524 19535 91 1 16 "Average Difference" N 42 2.905 -0.088 2.939 19535 92 1 16 "Average Difference" HA 50 0.348 -0.146 0.319 19535 93 1 16 "Average Difference" C 42 1.552 1.062 1.146 19535 94 1 16 "Average Difference" CA 45 1.826 0.255 1.829 19535 95 1 16 "Average Difference" CB 40 6.473 -2.698 5.959 19535 96 1 16 "Average Difference" HN 42 0.541 -0.167 0.520 19535 97 1 17 "Average Difference" N 42 2.771 -0.241 2.794 19535 98 1 17 "Average Difference" HA 50 0.344 -0.127 0.323 19535 99 1 17 "Average Difference" C 42 1.467 1.023 1.064 19535 100 1 17 "Average Difference" CA 45 1.809 0.220 1.816 19535 101 1 17 "Average Difference" CB 40 6.412 -2.593 5.939 19535 102 1 17 "Average Difference" HN 42 0.551 -0.197 0.521 19535 103 1 18 "Average Difference" N 42 3.276 -0.030 3.315 19535 104 1 18 "Average Difference" HA 50 0.331 -0.135 0.305 19535 105 1 18 "Average Difference" C 42 1.493 0.971 1.147 19535 106 1 18 "Average Difference" CA 45 1.872 0.256 1.875 19535 107 1 18 "Average Difference" CB 40 6.541 -2.651 6.055 19535 108 1 18 "Average Difference" HN 42 0.567 -0.201 0.537 19535 109 1 19 "Average Difference" N 42 2.835 0.004 2.869 19535 110 1 19 "Average Difference" HA 50 0.338 -0.133 0.313 19535 111 1 19 "Average Difference" C 42 1.419 0.968 1.050 19535 112 1 19 "Average Difference" CA 45 1.837 0.250 1.841 19535 113 1 19 "Average Difference" CB 40 6.467 -2.623 5.986 19535 114 1 19 "Average Difference" HN 42 0.557 -0.175 0.535 19535 115 1 20 "Average Difference" N 42 2.739 0.030 2.772 19535 116 1 20 "Average Difference" HA 50 0.346 -0.128 0.324 19535 117 1 20 "Average Difference" C 42 1.519 1.061 1.101 19535 118 1 20 "Average Difference" CA 45 1.770 0.234 1.774 19535 119 1 20 "Average Difference" CB 40 6.537 -2.733 6.014 19535 120 1 20 "Average Difference" HN 42 0.546 -0.190 0.518 19535 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 19535 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 2 122.024 122.024 123.570 -1.546 19535 2 1 . 1 1 2 2 LYS HA H 2 4.529 4.529 4.450 0.079 19535 3 1 . 1 1 2 2 LYS C C 2 175.284 175.284 175.743 -0.459 19535 4 1 . 1 1 2 2 LYS CA C 2 56.758 56.758 56.167 0.591 19535 5 1 . 1 1 2 2 LYS CB C 2 33.354 33.354 33.474 -0.120 19535 6 1 . 1 1 2 2 LYS H H 2 8.776 8.776 8.306 0.470 19535 7 1 . 1 1 3 3 GLU N N 3 122.436 122.436 123.216 -0.780 19535 8 1 . 1 1 3 3 GLU HA H 3 4.604 4.604 4.501 0.103 19535 9 1 . 1 1 3 3 GLU C C 3 174.367 174.367 176.078 -1.711 19535 10 1 . 1 1 3 3 GLU CA C 3 55.921 55.921 55.997 -0.076 19535 11 1 . 1 1 3 3 GLU CB C 3 29.309 29.309 28.853 0.456 19535 12 1 . 1 1 3 3 GLU H H 3 8.583 8.583 8.590 -0.007 19535 13 1 . 1 1 4 4 CYS N N 4 117.664 117.664 119.921 -2.257 19535 14 1 . 1 1 4 4 CYS HA H 4 4.986 4.986 4.906 0.080 19535 15 1 . 1 1 4 4 CYS C C 4 172.658 172.658 174.394 -1.736 19535 16 1 . 1 1 4 4 CYS CA C 4 54.150 54.150 56.711 -2.561 19535 17 1 . 1 1 4 4 CYS CB C 4 42.390 42.390 29.795 12.595 19535 18 1 . 1 1 4 4 CYS H H 4 8.165 8.165 8.442 -0.277 19535 19 1 . 1 1 5 5 MET N N 5 118.071 118.071 119.902 -1.831 19535 20 1 . 1 1 5 5 MET HA H 5 4.863 4.863 4.875 -0.012 19535 21 1 . 1 1 5 5 MET C C 5 175.055 175.055 176.028 -0.973 19535 22 1 . 1 1 5 5 MET CA C 5 55.789 55.789 54.467 1.322 19535 23 1 . 1 1 5 5 MET CB C 5 34.599 34.599 35.141 -0.542 19535 24 1 . 1 1 5 5 MET H H 5 9.075 9.075 8.718 0.357 19535 25 1 . 1 1 6 6 THR N N 6 116.953 116.953 113.253 3.700 19535 26 1 . 1 1 6 6 THR HA H 6 4.224 4.224 4.526 -0.302 19535 27 1 . 1 1 6 6 THR C C 6 174.188 174.188 174.054 0.134 19535 28 1 . 1 1 6 6 THR CA C 6 61.777 61.777 60.595 1.182 19535 29 1 . 1 1 6 6 THR CB C 6 70.305 70.305 69.807 0.498 19535 30 1 . 1 1 6 6 THR H H 6 8.492 8.492 8.443 0.049 19535 31 1 . 1 1 7 7 ASP N N 7 123.270 123.270 117.938 5.332 19535 32 1 . 1 1 7 7 ASP HA H 7 4.096 4.096 4.237 -0.141 19535 33 1 . 1 1 7 7 ASP C C 7 175.284 175.284 177.088 -1.804 19535 34 1 . 1 1 7 7 ASP CA C 7 55.824 55.824 54.504 1.320 19535 35 1 . 1 1 7 7 ASP CB C 7 39.211 39.211 40.706 -1.495 19535 36 1 . 1 1 7 7 ASP H H 7 8.643 8.643 8.344 0.299 19535 37 1 . 1 1 8 8 GLY N N 8 111.423 111.423 110.263 1.160 19535 38 1 . 1 1 8 8 GLY C C 8 173.117 173.117 174.642 -1.525 19535 39 1 . 1 1 8 8 GLY CA C 8 45.100 45.100 45.026 0.074 19535 40 1 . 1 1 8 8 GLY H H 8 9.329 9.329 8.381 0.948 19535 41 1 . 1 1 9 9 THR N N 9 116.646 116.646 119.778 -3.132 19535 42 1 . 1 1 9 9 THR HA H 9 4.320 4.320 4.483 -0.163 19535 43 1 . 1 1 9 9 THR C C 9 172.913 172.913 174.464 -1.551 19535 44 1 . 1 1 9 9 THR CA C 9 63.312 63.312 62.281 1.031 19535 45 1 . 1 1 9 9 THR CB C 9 70.010 70.010 69.547 0.463 19535 46 1 . 1 1 9 9 THR H H 9 7.695 7.695 7.472 0.223 19535 47 1 . 1 1 10 10 VAL N N 10 127.413 127.413 127.216 0.197 19535 48 1 . 1 1 10 10 VAL HA H 10 4.224 4.224 3.665 0.559 19535 49 1 . 1 1 10 10 VAL C C 10 173.194 173.194 176.027 -2.833 19535 50 1 . 1 1 10 10 VAL CA C 10 64.459 64.459 64.379 0.080 19535 51 1 . 1 1 10 10 VAL CB C 10 32.025 32.025 31.607 0.418 19535 52 1 . 1 1 10 10 VAL H H 10 8.605 8.605 8.601 0.004 19535 53 1 . 1 1 11 11 CYS N N 11 120.712 120.712 123.611 -2.899 19535 54 1 . 1 1 11 11 CYS HA H 11 4.984 4.984 4.886 0.098 19535 55 1 . 1 1 11 11 CYS C C 11 169.701 169.701 172.853 -3.152 19535 56 1 . 1 1 11 11 CYS CA C 11 53.788 53.788 56.544 -2.756 19535 57 1 . 1 1 11 11 CYS CB C 11 49.168 49.168 30.900 18.268 19535 58 1 . 1 1 11 11 CYS H H 11 7.743 7.743 8.094 -0.351 19535 59 1 . 1 1 12 12 TYR N N 12 117.867 117.867 119.329 -1.462 19535 60 1 . 1 1 12 12 TYR HA H 12 4.967 4.967 4.836 0.131 19535 61 1 . 1 1 12 12 TYR C C 12 175.577 175.577 176.658 -1.081 19535 62 1 . 1 1 12 12 TYR CA C 12 56.738 56.738 57.252 -0.514 19535 63 1 . 1 1 12 12 TYR CB C 12 40.474 40.474 42.074 -1.600 19535 64 1 . 1 1 12 12 TYR H H 12 8.324 8.324 8.216 0.108 19535 65 1 . 1 1 13 13 ILE N N 13 122.840 122.840 123.933 -1.093 19535 66 1 . 1 1 13 13 ILE HA H 13 4.075 4.075 3.948 0.127 19535 67 1 . 1 1 13 13 ILE C C 13 175.629 175.629 176.605 -0.976 19535 68 1 . 1 1 13 13 ILE CA C 13 62.842 62.842 62.980 -0.138 19535 69 1 . 1 1 13 13 ILE CB C 13 38.172 38.172 37.773 0.399 19535 70 1 . 1 1 13 13 ILE H H 13 8.502 8.502 8.812 -0.310 19535 71 1 . 1 1 14 14 HIS N N 14 117.156 117.156 118.107 -0.951 19535 72 1 . 1 1 14 14 HIS HA H 14 4.898 4.898 4.708 0.190 19535 73 1 . 1 1 14 14 HIS C C 14 173.219 173.219 174.582 -1.363 19535 74 1 . 1 1 14 14 HIS CA C 14 55.863 55.863 55.947 -0.084 19535 75 1 . 1 1 14 14 HIS CB C 14 28.348 28.348 29.386 -1.038 19535 76 1 . 1 1 14 14 HIS H H 14 8.437 8.437 8.214 0.223 19535 77 1 . 1 1 15 15 ASN N N 15 117.243 117.243 118.175 -0.932 19535 78 1 . 1 1 15 15 ASN HA H 15 4.937 4.937 4.746 0.191 19535 79 1 . 1 1 15 15 ASN C C 15 174.010 174.010 174.279 -0.269 19535 80 1 . 1 1 15 15 ASN CA C 15 53.123 53.123 53.147 -0.024 19535 81 1 . 1 1 15 15 ASN CB C 15 39.746 39.746 39.603 0.143 19535 82 1 . 1 1 15 15 ASN H H 15 7.934 7.934 7.678 0.256 19535 83 1 . 1 1 16 16 HIS N N 16 118.072 118.072 116.138 1.934 19535 84 1 . 1 1 16 16 HIS HA H 16 4.635 4.635 4.189 0.446 19535 85 1 . 1 1 16 16 HIS C C 16 173.449 173.449 173.797 -0.348 19535 86 1 . 1 1 16 16 HIS CA C 16 56.640 56.640 57.340 -0.700 19535 87 1 . 1 1 16 16 HIS CB C 16 28.451 28.451 27.784 0.667 19535 88 1 . 1 1 16 16 HIS H H 16 8.402 8.402 8.375 0.027 19535 89 1 . 1 1 17 17 ASN N N 17 120.144 120.144 117.965 2.179 19535 90 1 . 1 1 17 17 ASN HA H 17 4.915 4.915 4.765 0.150 19535 91 1 . 1 1 17 17 ASN C C 17 173.857 173.857 174.618 -0.761 19535 92 1 . 1 1 17 17 ASN CA C 17 53.517 53.517 53.736 -0.219 19535 93 1 . 1 1 17 17 ASN CB C 17 39.155 39.155 39.415 -0.260 19535 94 1 . 1 1 17 17 ASN H H 17 8.567 8.567 7.888 0.679 19535 95 1 . 1 1 18 18 ASP N N 18 121.570 121.570 124.672 -3.102 19535 96 1 . 1 1 18 18 ASP HA H 18 5.082 5.082 4.860 0.222 19535 97 1 . 1 1 18 18 ASP C C 18 175.565 175.565 174.325 1.240 19535 98 1 . 1 1 18 18 ASP CA C 18 53.337 53.337 53.473 -0.136 19535 99 1 . 1 1 18 18 ASP CB C 18 40.035 40.035 41.680 -1.645 19535 100 1 . 1 1 18 18 ASP H H 18 8.623 8.623 8.604 0.019 19535 101 1 . 1 1 19 19 CYS N N 19 119.788 119.788 120.848 -1.060 19535 102 1 . 1 1 19 19 CYS HA H 19 4.872 4.872 4.710 0.162 19535 103 1 . 1 1 19 19 CYS C C 19 174.188 174.188 175.601 -1.413 19535 104 1 . 1 1 19 19 CYS CA C 19 55.126 55.126 58.551 -3.425 19535 105 1 . 1 1 19 19 CYS CB C 19 36.169 36.169 29.143 7.026 19535 106 1 . 1 1 19 19 CYS H H 19 8.370 8.370 8.683 -0.313 19535 107 1 . 1 1 20 20 CYS N N 20 123.247 123.247 124.153 -0.906 19535 108 1 . 1 1 20 20 CYS HA H 20 4.608 4.608 4.289 0.319 19535 109 1 . 1 1 20 20 CYS C C 20 175.514 175.514 175.236 0.278 19535 110 1 . 1 1 20 20 CYS CA C 20 57.344 57.344 60.850 -3.506 19535 111 1 . 1 1 20 20 CYS CB C 20 39.211 39.211 27.417 11.794 19535 112 1 . 1 1 20 20 CYS H H 20 9.556 9.556 8.960 0.596 19535 113 1 . 1 1 21 21 GLY N N 21 109.083 109.083 105.732 3.351 19535 114 1 . 1 1 21 21 GLY C C 21 171.945 171.945 173.044 -1.099 19535 115 1 . 1 1 21 21 GLY CA C 21 45.117 45.117 43.710 1.407 19535 116 1 . 1 1 21 21 GLY H H 21 8.968 8.968 7.910 1.058 19535 117 1 . 1 1 22 22 SER N N 22 121.727 121.727 114.696 7.031 19535 118 1 . 1 1 22 22 SER HA H 22 4.798 4.798 4.676 0.122 19535 119 1 . 1 1 22 22 SER C C 22 170.670 170.670 174.645 -3.975 19535 120 1 . 1 1 22 22 SER CA C 22 57.668 57.668 57.791 -0.123 19535 121 1 . 1 1 22 22 SER CB C 22 66.662 66.662 64.640 2.022 19535 122 1 . 1 1 22 22 SER H H 22 9.116 9.116 8.116 1.000 19535 123 1 . 1 1 23 23 CYS N N 23 123.558 123.558 124.126 -0.568 19535 124 1 . 1 1 23 23 CYS HA H 23 4.946 4.946 4.695 0.251 19535 125 1 . 1 1 23 23 CYS C C 23 171.894 171.894 175.385 -3.491 19535 126 1 . 1 1 23 23 CYS CA C 23 55.865 55.865 59.588 -3.723 19535 127 1 . 1 1 23 23 CYS CB C 23 39.214 39.214 26.735 12.479 19535 128 1 . 1 1 23 23 CYS H H 23 8.848 8.848 8.860 -0.012 19535 129 1 . 1 1 24 24 LEU N N 24 131.578 131.578 127.496 4.082 19535 130 1 . 1 1 24 24 LEU HA H 24 4.746 4.746 4.654 0.092 19535 131 1 . 1 1 24 24 LEU C C 24 175.871 175.871 175.953 -0.082 19535 132 1 . 1 1 24 24 LEU CA C 24 54.601 54.601 53.818 0.783 19535 133 1 . 1 1 24 24 LEU CB C 24 43.222 43.222 44.087 -0.865 19535 134 1 . 1 1 24 24 LEU H H 24 8.582 8.582 8.625 -0.043 19535 135 1 . 1 1 25 25 CYS N N 25 122.657 122.657 124.597 -1.940 19535 136 1 . 1 1 25 25 CYS HA H 25 5.332 5.332 4.681 0.651 19535 137 1 . 1 1 25 25 CYS C C 25 173.806 173.806 175.353 -1.547 19535 138 1 . 1 1 25 25 CYS CA C 25 54.567 54.567 58.281 -3.714 19535 139 1 . 1 1 25 25 CYS CB C 25 45.295 45.295 26.617 18.678 19535 140 1 . 1 1 25 25 CYS H H 25 8.832 8.832 8.949 -0.117 19535 141 1 . 1 1 26 26 SER N N 26 117.664 117.664 119.862 -2.198 19535 142 1 . 1 1 26 26 SER HA H 26 4.648 4.648 4.511 0.137 19535 143 1 . 1 1 26 26 SER C C 26 173.194 173.194 174.364 -1.170 19535 144 1 . 1 1 26 26 SER CA C 26 58.458 58.458 58.345 0.113 19535 145 1 . 1 1 26 26 SER CB C 26 64.218 64.218 63.948 0.270 19535 146 1 . 1 1 26 26 SER H H 26 8.550 8.550 8.456 0.094 19535 147 1 . 1 1 27 27 ASN N N 27 120.609 120.609 125.652 -5.043 19535 148 1 . 1 1 27 27 ASN HA H 27 4.954 4.954 4.888 0.066 19535 149 1 . 1 1 27 27 ASN C C 27 174.341 174.341 175.783 -1.442 19535 150 1 . 1 1 27 27 ASN CA C 27 53.498 53.498 52.140 1.358 19535 151 1 . 1 1 27 27 ASN CB C 27 39.401 39.401 39.096 0.305 19535 152 1 . 1 1 27 27 ASN H H 27 8.663 8.663 8.621 0.042 19535 153 1 . 1 1 28 28 GLY N N 28 109.128 109.128 109.716 -0.588 19535 154 1 . 1 1 28 28 GLY CA C 28 45.293 45.293 44.315 0.978 19535 155 1 . 1 1 28 28 GLY H H 28 8.232 8.232 7.757 0.475 19535 156 1 . 1 1 29 29 PRO HA H 29 4.573 4.573 4.401 0.172 19535 157 1 . 1 1 29 29 PRO C C 29 176.100 176.100 176.160 -0.060 19535 158 1 . 1 1 29 29 PRO CA C 29 63.446 63.446 63.095 0.350 19535 159 1 . 1 1 29 29 PRO CB C 29 32.141 32.141 32.255 -0.114 19535 160 1 . 1 1 30 30 ILE N N 30 120.101 120.101 119.022 1.079 19535 161 1 . 1 1 30 30 ILE HA H 30 4.258 4.258 4.461 -0.203 19535 162 1 . 1 1 30 30 ILE C C 30 174.928 174.928 175.533 -0.605 19535 163 1 . 1 1 30 30 ILE CA C 30 61.164 61.164 60.537 0.628 19535 164 1 . 1 1 30 30 ILE CB C 30 39.008 39.008 38.466 0.542 19535 165 1 . 1 1 30 30 ILE H H 30 8.059 8.059 8.148 -0.089 19535 166 1 . 1 1 31 31 ALA N N 31 127.003 127.003 130.705 -3.702 19535 167 1 . 1 1 31 31 ALA HA H 31 4.432 4.432 4.429 0.003 19535 168 1 . 1 1 31 31 ALA C C 31 176.355 176.355 177.557 -1.202 19535 169 1 . 1 1 31 31 ALA CA C 31 52.896 52.896 52.850 0.046 19535 170 1 . 1 1 31 31 ALA CB C 31 19.465 19.465 19.888 -0.424 19535 171 1 . 1 1 31 31 ALA H H 31 8.303 8.303 8.781 -0.478 19535 172 1 . 1 1 32 32 ARG N N 32 118.980 118.980 118.907 0.073 19535 173 1 . 1 1 32 32 ARG HA H 32 4.479 4.479 4.808 -0.329 19535 174 1 . 1 1 32 32 ARG CA C 32 53.593 53.593 53.393 0.200 19535 175 1 . 1 1 32 32 ARG CB C 32 30.351 30.351 30.149 0.202 19535 176 1 . 1 1 32 32 ARG H H 32 7.910 7.910 8.256 -0.346 19535 177 1 . 1 1 33 33 PRO HA H 33 4.389 4.389 4.778 -0.389 19535 178 1 . 1 1 33 33 PRO C C 33 175.947 175.947 176.701 -0.754 19535 179 1 . 1 1 33 33 PRO CA C 33 64.559 64.559 64.101 0.458 19535 180 1 . 1 1 33 33 PRO CB C 33 31.935 31.935 31.987 -0.052 19535 181 1 . 1 1 34 34 TRP N N 34 116.547 116.547 118.569 -2.022 19535 182 1 . 1 1 34 34 TRP HA H 34 4.770 4.770 4.577 0.193 19535 183 1 . 1 1 34 34 TRP C C 34 175.488 175.488 177.509 -2.021 19535 184 1 . 1 1 34 34 TRP CA C 34 57.887 57.887 58.899 -1.012 19535 185 1 . 1 1 34 34 TRP CB C 34 28.588 28.588 29.330 -0.742 19535 186 1 . 1 1 34 34 TRP H H 34 7.479 7.479 8.347 -0.867 19535 187 1 . 1 1 35 35 GLU N N 35 120.618 120.618 117.087 3.531 19535 188 1 . 1 1 35 35 GLU HA H 35 4.382 4.382 4.472 -0.090 19535 189 1 . 1 1 35 35 GLU C C 35 174.902 174.902 176.956 -2.054 19535 190 1 . 1 1 35 35 GLU CA C 35 56.567 56.567 57.035 -0.468 19535 191 1 . 1 1 35 35 GLU CB C 35 29.320 29.320 31.221 -1.901 19535 192 1 . 1 1 35 35 GLU H H 35 7.817 7.817 7.838 -0.021 19535 193 1 . 1 1 36 36 MET N N 36 119.553 119.553 119.078 0.475 19535 194 1 . 1 1 36 36 MET HA H 36 4.535 4.535 4.707 -0.172 19535 195 1 . 1 1 36 36 MET C C 36 175.182 175.182 174.598 0.584 19535 196 1 . 1 1 36 36 MET CA C 36 56.026 56.026 54.803 1.223 19535 197 1 . 1 1 36 36 MET CB C 36 33.032 33.032 33.819 -0.787 19535 198 1 . 1 1 36 36 MET H H 36 8.132 8.132 8.018 0.114 19535 199 1 . 1 1 37 37 MET N N 37 120.609 120.609 125.087 -4.478 19535 200 1 . 1 1 37 37 MET HA H 37 4.629 4.629 4.610 0.019 19535 201 1 . 1 1 37 37 MET C C 37 175.081 175.081 175.418 -0.337 19535 202 1 . 1 1 37 37 MET CA C 37 56.043 56.043 55.127 0.916 19535 203 1 . 1 1 37 37 MET CB C 37 33.041 33.041 32.558 0.483 19535 204 1 . 1 1 37 37 MET H H 37 8.289 8.289 8.602 -0.313 19535 205 1 . 1 1 38 38 VAL N N 38 119.594 119.594 123.810 -4.216 19535 206 1 . 1 1 38 38 VAL HA H 38 4.338 4.338 4.341 -0.003 19535 207 1 . 1 1 38 38 VAL C C 38 175.335 175.335 175.214 0.121 19535 208 1 . 1 1 38 38 VAL CA C 38 62.647 62.647 61.286 1.361 19535 209 1 . 1 1 38 38 VAL CB C 38 32.887 32.887 31.622 1.265 19535 210 1 . 1 1 38 38 VAL H H 38 8.054 8.054 8.235 -0.181 19535 211 1 . 1 1 39 39 GLY N N 39 111.351 111.351 111.453 -0.102 19535 212 1 . 1 1 39 39 GLY C C 39 172.429 172.429 173.858 -1.430 19535 213 1 . 1 1 39 39 GLY CA C 39 45.473 45.473 44.888 0.585 19535 214 1 . 1 1 39 39 GLY H H 39 8.329 8.329 8.254 0.075 19535 215 1 . 1 1 40 40 ASN N N 40 118.075 118.075 118.511 -0.436 19535 216 1 . 1 1 40 40 ASN HA H 40 4.945 4.945 4.901 0.043 19535 217 1 . 1 1 40 40 ASN C C 40 173.984 173.984 173.929 0.055 19535 218 1 . 1 1 40 40 ASN CA C 40 53.754 53.754 52.259 1.495 19535 219 1 . 1 1 40 40 ASN CB C 40 39.972 39.972 40.739 -0.768 19535 220 1 . 1 1 40 40 ASN H H 40 8.359 8.359 7.815 0.544 19535 221 1 . 1 1 41 41 CYS N N 41 120.609 120.609 118.801 1.808 19535 222 1 . 1 1 41 41 CYS HA H 41 5.538 5.538 4.816 0.722 19535 223 1 . 1 1 41 41 CYS C C 41 172.689 172.689 173.918 -1.229 19535 224 1 . 1 1 41 41 CYS CA C 41 56.317 56.317 58.264 -1.947 19535 225 1 . 1 1 41 41 CYS CB C 41 48.409 48.409 28.546 19.863 19535 226 1 . 1 1 41 41 CYS H H 41 8.653 8.653 8.667 -0.014 19535 227 1 . 1 1 42 42 MET N N 42 120.998 120.998 120.909 0.089 19535 228 1 . 1 1 42 42 MET HA H 42 5.164 5.164 4.781 0.383 19535 229 1 . 1 1 42 42 MET C C 42 175.208 175.208 175.114 0.094 19535 230 1 . 1 1 42 42 MET CA C 42 54.853 54.853 54.143 0.710 19535 231 1 . 1 1 42 42 MET CB C 42 37.960 37.960 37.466 0.494 19535 232 1 . 1 1 42 42 MET H H 42 8.967 8.967 8.410 0.557 19535 233 1 . 1 1 43 43 CYS N N 43 122.297 122.297 118.538 3.759 19535 234 1 . 1 1 43 43 CYS HA H 43 5.505 5.505 4.386 1.119 19535 235 1 . 1 1 43 43 CYS C C 43 175.820 175.820 175.073 0.747 19535 236 1 . 1 1 43 43 CYS CA C 43 53.494 53.494 60.263 -6.769 19535 237 1 . 1 1 43 43 CYS CB C 43 35.707 35.707 26.867 8.840 19535 238 1 . 1 1 43 43 CYS H H 43 9.478 9.478 8.277 1.201 19535 239 1 . 1 1 44 44 GLY N N 44 114.932 114.932 108.988 5.944 19535 240 1 . 1 1 44 44 GLY CA C 44 45.625 45.625 43.925 1.700 19535 241 1 . 1 1 44 44 GLY H H 44 9.712 9.712 7.818 1.894 19535 242 1 . 1 1 45 45 PRO HA H 45 4.616 4.616 4.516 0.100 19535 243 1 . 1 1 45 45 PRO C C 45 175.386 175.386 176.253 -0.867 19535 244 1 . 1 1 45 45 PRO CA C 45 62.940 62.940 62.701 0.239 19535 245 1 . 1 1 45 45 PRO CB C 45 32.225 32.225 32.623 -0.398 19535 246 1 . 1 1 46 46 LYS N N 46 121.021 121.021 122.577 -1.556 19535 247 1 . 1 1 46 46 LYS HA H 46 4.278 4.278 4.355 -0.077 19535 248 1 . 1 1 46 46 LYS C C 46 174.902 174.902 176.181 -1.279 19535 249 1 . 1 1 46 46 LYS CA C 46 56.807 56.807 56.193 0.614 19535 250 1 . 1 1 46 46 LYS CB C 46 33.533 33.533 32.787 0.746 19535 251 1 . 1 1 46 46 LYS H H 46 8.421 8.421 8.394 0.027 19535 stop_ save_