data_19755 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19755 _Entry.PDB_ID 2MK6 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 19755 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 123.952 123.952 120.883 3.069 19755 2 1 1 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.881 -0.200 19755 3 1 1 . 1 1 2 2 GLU C C 2 174.704 174.704 174.679 0.025 19755 4 1 1 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.730 0.136 19755 5 1 1 . 1 1 2 2 GLU CB C 2 32.406 32.406 33.262 -0.856 19755 6 1 1 . 1 1 2 2 GLU H H 2 8.571 8.571 8.482 0.089 19755 7 1 1 . 1 1 3 3 ILE N N 3 121.558 121.558 122.944 -1.386 19755 8 1 1 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.726 -0.014 19755 9 1 1 . 1 1 3 3 ILE C C 3 174.736 174.736 175.783 -1.047 19755 10 1 1 . 1 1 3 3 ILE CA C 3 60.277 60.277 58.727 1.550 19755 11 1 1 . 1 1 3 3 ILE CB C 3 40.861 40.861 40.921 -0.060 19755 12 1 1 . 1 1 3 3 ILE H H 3 8.565 8.565 8.539 0.026 19755 13 1 1 . 1 1 4 4 GLU N N 4 126.319 126.319 125.356 0.963 19755 14 1 1 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.677 -0.116 19755 15 1 1 . 1 1 4 4 GLU C C 4 174.708 174.708 174.487 0.221 19755 16 1 1 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.604 0.624 19755 17 1 1 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.769 -0.760 19755 18 1 1 . 1 1 4 4 GLU H H 4 9.153 9.153 9.101 0.052 19755 19 1 1 . 1 1 5 5 ARG N N 5 127.727 127.727 125.635 2.092 19755 20 1 1 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.637 -0.077 19755 21 1 1 . 1 1 5 5 ARG C C 5 175.807 175.807 176.165 -0.358 19755 22 1 1 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.882 0.242 19755 23 1 1 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.948 -0.295 19755 24 1 1 . 1 1 5 5 ARG H H 5 9.002 9.002 8.809 0.193 19755 25 1 1 . 1 1 6 6 ILE N N 6 129.149 129.149 126.735 2.414 19755 26 1 1 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.867 0.037 19755 27 1 1 . 1 1 6 6 ILE C C 6 176.468 176.468 176.504 -0.036 19755 28 1 1 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.848 0.123 19755 29 1 1 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.815 0.347 19755 30 1 1 . 1 1 6 6 ILE H H 6 8.030 8.030 8.444 -0.414 19755 31 1 1 . 1 1 7 7 ASN N N 7 112.808 112.808 115.777 -2.969 19755 32 1 1 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.806 -0.247 19755 33 1 1 . 1 1 7 7 ASN C C 7 175.254 175.254 173.849 1.405 19755 34 1 1 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.935 0.918 19755 35 1 1 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.123 -0.848 19755 36 1 1 . 1 1 7 7 ASN H H 7 8.147 8.147 7.808 0.339 19755 37 1 1 . 1 1 8 8 GLU N N 8 121.087 121.087 117.607 3.480 19755 38 1 1 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.001 0.049 19755 39 1 1 . 1 1 8 8 GLU C C 8 176.486 176.486 176.326 0.160 19755 40 1 1 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.033 1.769 19755 41 1 1 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.454 -0.003 19755 42 1 1 . 1 1 8 8 GLU H H 8 8.770 8.770 8.519 0.251 19755 43 1 1 . 1 1 9 9 HIS N N 9 113.719 113.719 114.993 -1.274 19755 44 1 1 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.772 0.193 19755 45 1 1 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.475 -0.670 19755 46 1 1 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.294 0.690 19755 47 1 1 . 1 1 9 9 HIS H H 9 7.921 7.921 8.447 -0.526 19755 48 1 1 . 1 1 10 10 THR N N 10 116.218 116.218 118.817 -2.599 19755 49 1 1 . 1 1 10 10 THR HA H 10 5.736 5.736 4.979 0.757 19755 50 1 1 . 1 1 10 10 THR C C 10 173.396 173.396 174.083 -0.687 19755 51 1 1 . 1 1 10 10 THR CA C 10 62.820 62.820 63.853 -1.033 19755 52 1 1 . 1 1 10 10 THR CB C 10 71.465 71.465 69.327 2.138 19755 53 1 1 . 1 1 10 10 THR H H 10 7.349 7.349 8.835 -1.486 19755 54 1 1 . 1 1 11 11 VAL N N 11 124.880 124.880 121.110 3.770 19755 55 1 1 . 1 1 11 11 VAL HA H 11 4.857 4.857 4.750 0.107 19755 56 1 1 . 1 1 11 11 VAL C C 11 172.156 172.156 173.704 -1.548 19755 57 1 1 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.389 0.487 19755 58 1 1 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.303 0.683 19755 59 1 1 . 1 1 11 11 VAL H H 11 9.043 9.043 9.034 0.009 19755 60 1 1 . 1 1 12 12 LYS N N 12 124.164 124.164 118.511 5.653 19755 61 1 1 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.444 0.140 19755 62 1 1 . 1 1 12 12 LYS C C 12 173.380 173.380 175.038 -1.658 19755 63 1 1 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.691 -0.486 19755 64 1 1 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.721 0.736 19755 65 1 1 . 1 1 12 12 LYS H H 12 8.884 8.884 8.189 0.695 19755 66 1 1 . 1 1 13 13 PHE N N 13 124.228 124.228 114.341 9.887 19755 67 1 1 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.321 0.007 19755 68 1 1 . 1 1 13 13 PHE C C 13 172.237 172.237 172.781 -0.544 19755 69 1 1 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.109 -0.123 19755 70 1 1 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.349 -0.433 19755 71 1 1 . 1 1 13 13 PHE H H 13 8.989 8.989 8.839 0.150 19755 72 1 1 . 1 1 14 14 TYR N N 14 121.263 121.263 120.954 0.309 19755 73 1 1 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.485 -0.098 19755 74 1 1 . 1 1 14 14 TYR C C 14 174.713 174.713 173.451 1.262 19755 75 1 1 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.958 -0.005 19755 76 1 1 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.655 -1.147 19755 77 1 1 . 1 1 14 14 TYR H H 14 8.670 8.670 9.240 -0.570 19755 78 1 1 . 1 1 15 15 MET N N 15 124.869 124.869 126.955 -2.086 19755 79 1 1 . 1 1 15 15 MET HA H 15 4.417 4.417 4.755 -0.338 19755 80 1 1 . 1 1 15 15 MET C C 15 173.614 173.614 173.939 -0.325 19755 81 1 1 . 1 1 15 15 MET CA C 15 54.305 54.305 53.480 0.825 19755 82 1 1 . 1 1 15 15 MET CB C 15 37.439 37.439 35.192 2.247 19755 83 1 1 . 1 1 15 15 MET H H 15 7.927 7.927 8.727 -0.800 19755 84 1 1 . 1 1 16 16 SER N N 16 120.626 120.626 123.669 -3.043 19755 85 1 1 . 1 1 16 16 SER HA H 16 4.396 4.396 4.317 0.079 19755 86 1 1 . 1 1 16 16 SER C C 16 175.508 175.508 175.406 0.102 19755 87 1 1 . 1 1 16 16 SER CA C 16 57.637 57.637 58.422 -0.785 19755 88 1 1 . 1 1 16 16 SER CB C 16 65.033 65.033 63.917 1.116 19755 89 1 1 . 1 1 16 16 SER H H 16 9.061 9.061 8.661 0.400 19755 90 1 1 . 1 1 17 17 TYR N N 17 119.917 119.917 123.007 -3.090 19755 91 1 1 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.255 0.105 19755 92 1 1 . 1 1 17 17 TYR C C 17 178.684 178.684 178.171 0.513 19755 93 1 1 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.195 1.761 19755 94 1 1 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.575 -0.586 19755 95 1 1 . 1 1 17 17 TYR H H 17 8.411 8.411 8.461 -0.050 19755 96 1 1 . 1 1 18 18 GLY N N 18 107.011 107.011 105.692 1.319 19755 97 1 1 . 1 1 18 18 GLY C C 18 175.454 175.454 175.909 -0.455 19755 98 1 1 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.454 0.992 19755 99 1 1 . 1 1 18 18 GLY H H 18 8.534 8.534 8.874 -0.340 19755 100 1 1 . 1 1 19 19 ASP N N 19 122.947 122.947 122.200 0.747 19755 101 1 1 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.551 -0.159 19755 102 1 1 . 1 1 19 19 ASP C C 19 179.020 179.020 178.538 0.482 19755 103 1 1 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.505 -0.062 19755 104 1 1 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.077 -0.163 19755 105 1 1 . 1 1 19 19 ASP H H 19 7.788 7.788 7.949 -0.161 19755 106 1 1 . 1 1 20 20 ILE N N 20 119.114 119.114 120.713 -1.599 19755 107 1 1 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.805 -0.277 19755 108 1 1 . 1 1 20 20 ILE C C 20 177.939 177.939 177.684 0.255 19755 109 1 1 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.841 1.469 19755 110 1 1 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.126 0.760 19755 111 1 1 . 1 1 20 20 ILE H H 20 7.762 7.762 7.353 0.409 19755 112 1 1 . 1 1 21 21 GLU N N 21 119.999 119.999 120.468 -0.469 19755 113 1 1 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.254 0.328 19755 114 1 1 . 1 1 21 21 GLU C C 21 181.888 181.888 179.776 2.112 19755 115 1 1 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.480 -0.273 19755 116 1 1 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.176 0.238 19755 117 1 1 . 1 1 21 21 GLU H H 21 8.113 8.113 8.456 -0.343 19755 118 1 1 . 1 1 22 22 ASP N N 22 122.667 122.667 120.937 1.730 19755 119 1 1 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.483 -0.009 19755 120 1 1 . 1 1 22 22 ASP C C 22 178.184 178.184 177.889 0.295 19755 121 1 1 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.613 0.722 19755 122 1 1 . 1 1 22 22 ASP CB C 22 40.867 40.867 40.984 -0.117 19755 123 1 1 . 1 1 22 22 ASP H H 22 8.699 8.699 8.163 0.536 19755 124 1 1 . 1 1 23 23 ARG N N 23 116.862 116.862 117.550 -0.688 19755 125 1 1 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.386 -0.042 19755 126 1 1 . 1 1 23 23 ARG C C 23 176.101 176.101 176.989 -0.888 19755 127 1 1 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.416 0.236 19755 128 1 1 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.721 0.076 19755 129 1 1 . 1 1 23 23 ARG H H 23 7.380 7.380 7.736 -0.356 19755 130 1 1 . 1 1 24 24 GLY N N 24 106.318 106.318 105.961 0.357 19755 131 1 1 . 1 1 24 24 GLY C C 24 174.117 174.117 174.542 -0.425 19755 132 1 1 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.366 0.127 19755 133 1 1 . 1 1 24 24 GLY H H 24 8.004 8.004 7.896 0.108 19755 134 1 1 . 1 1 25 25 PHE N N 25 118.274 118.274 120.367 -2.093 19755 135 1 1 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.543 0.079 19755 136 1 1 . 1 1 25 25 PHE C C 25 174.127 174.127 174.213 -0.086 19755 137 1 1 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.341 -0.411 19755 138 1 1 . 1 1 25 25 PHE CB C 25 41.871 41.871 39.896 1.975 19755 139 1 1 . 1 1 25 25 PHE H H 25 7.550 7.550 7.955 -0.405 19755 140 1 1 . 1 1 26 26 ASP N N 26 121.320 121.320 118.100 3.220 19755 141 1 1 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.917 -0.023 19755 142 1 1 . 1 1 26 26 ASP C C 26 177.370 177.370 177.190 0.180 19755 143 1 1 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.347 0.760 19755 144 1 1 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.713 0.353 19755 145 1 1 . 1 1 26 26 ASP H H 26 8.891 8.891 8.358 0.533 19755 146 1 1 . 1 1 27 27 ARG N N 27 124.100 124.100 124.658 -0.558 19755 147 1 1 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.880 -0.038 19755 148 1 1 . 1 1 27 27 ARG C C 27 176.201 176.201 177.681 -1.480 19755 149 1 1 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.121 0.736 19755 150 1 1 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.041 -0.366 19755 151 1 1 . 1 1 27 27 ARG H H 27 9.033 9.033 8.719 0.314 19755 152 1 1 . 1 1 28 28 GLU N N 28 118.451 118.451 118.840 -0.389 19755 153 1 1 . 1 1 28 28 GLU HA H 28 4.037 4.037 3.649 0.388 19755 154 1 1 . 1 1 28 28 GLU C C 28 178.889 178.889 178.364 0.525 19755 155 1 1 . 1 1 28 28 GLU CA C 28 59.255 59.255 58.908 0.347 19755 156 1 1 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.434 0.016 19755 157 1 1 . 1 1 28 28 GLU H H 28 8.362 8.362 8.008 0.354 19755 158 1 1 . 1 1 29 29 GLU N N 29 118.302 118.302 120.112 -1.810 19755 159 1 1 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.021 0.064 19755 160 1 1 . 1 1 29 29 GLU C C 29 178.137 178.137 179.045 -0.908 19755 161 1 1 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.125 -0.165 19755 162 1 1 . 1 1 29 29 GLU CB C 29 30.452 30.452 28.971 1.481 19755 163 1 1 . 1 1 29 29 GLU H H 29 7.821 7.821 7.785 0.036 19755 164 1 1 . 1 1 30 30 ILE N N 30 115.456 115.456 118.875 -3.419 19755 165 1 1 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.573 0.054 19755 166 1 1 . 1 1 30 30 ILE C C 30 176.229 176.229 177.552 -1.323 19755 167 1 1 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.758 -3.695 19755 168 1 1 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.625 -0.685 19755 169 1 1 . 1 1 30 30 ILE H H 30 7.363 7.363 8.270 -0.907 19755 170 1 1 . 1 1 31 31 TRP N N 31 116.714 116.714 117.696 -0.982 19755 171 1 1 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.466 -0.316 19755 172 1 1 . 1 1 31 31 TRP C C 31 178.092 178.092 178.081 0.011 19755 173 1 1 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.355 1.263 19755 174 1 1 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.807 -0.179 19755 175 1 1 . 1 1 31 31 TRP H H 31 7.410 7.410 6.969 0.441 19755 176 1 1 . 1 1 32 32 TYR N N 32 112.769 112.769 114.513 -1.744 19755 177 1 1 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.657 0.109 19755 178 1 1 . 1 1 32 32 TYR C C 32 175.767 175.767 176.327 -0.560 19755 179 1 1 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.436 1.196 19755 180 1 1 . 1 1 32 32 TYR CB C 32 40.222 40.222 38.504 1.718 19755 181 1 1 . 1 1 32 32 TYR H H 32 7.577 7.577 7.837 -0.260 19755 182 1 1 . 1 1 33 33 ASN N N 33 120.521 120.521 118.696 1.825 19755 183 1 1 . 1 1 33 33 ASN HA H 33 5.048 5.048 4.988 0.060 19755 184 1 1 . 1 1 33 33 ASN C C 33 174.851 174.851 174.814 0.037 19755 185 1 1 . 1 1 33 33 ASN CA C 33 52.320 52.320 53.162 -0.842 19755 186 1 1 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.914 -0.701 19755 187 1 1 . 1 1 33 33 ASN H H 33 8.364 8.364 8.072 0.292 19755 188 1 1 . 1 1 34 34 ARG N N 34 126.163 126.163 118.341 7.822 19755 189 1 1 . 1 1 34 34 ARG HA H 34 4.185 4.185 4.514 -0.329 19755 190 1 1 . 1 1 34 34 ARG C C 34 178.509 178.509 177.594 0.915 19755 191 1 1 . 1 1 34 34 ARG CA C 34 58.504 58.504 57.796 0.708 19755 192 1 1 . 1 1 34 34 ARG CB C 34 29.493 29.493 31.590 -2.097 19755 193 1 1 . 1 1 34 34 ARG H H 34 8.830 8.830 8.503 0.327 19755 194 1 1 . 1 1 35 35 GLU N N 35 118.994 118.994 120.198 -1.204 19755 195 1 1 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.196 -0.036 19755 196 1 1 . 1 1 35 35 GLU C C 35 179.839 179.839 178.131 1.708 19755 197 1 1 . 1 1 35 35 GLU CA C 35 60.191 60.191 59.066 1.125 19755 198 1 1 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.962 0.471 19755 199 1 1 . 1 1 35 35 GLU H H 35 8.380 8.380 8.716 -0.336 19755 200 1 1 . 1 1 36 36 ARG N N 36 119.197 119.197 118.100 1.097 19755 201 1 1 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.413 -0.013 19755 202 1 1 . 1 1 36 36 ARG C C 36 178.217 178.217 176.798 1.419 19755 203 1 1 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.779 0.615 19755 204 1 1 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.374 0.161 19755 205 1 1 . 1 1 36 36 ARG H H 36 7.686 7.686 8.519 -0.833 19755 206 1 1 . 1 1 37 37 SER N N 37 114.607 114.607 114.498 0.109 19755 207 1 1 . 1 1 37 37 SER HA H 37 3.899 3.899 3.862 0.037 19755 208 1 1 . 1 1 37 37 SER C C 37 178.298 178.298 175.350 2.948 19755 209 1 1 . 1 1 37 37 SER CA C 37 62.455 62.455 61.381 1.074 19755 210 1 1 . 1 1 37 37 SER CB C 37 62.542 62.542 62.849 -0.307 19755 211 1 1 . 1 1 37 37 SER H H 37 8.282 8.282 7.438 0.844 19755 212 1 1 . 1 1 38 38 GLU N N 38 121.063 121.063 122.316 -1.253 19755 213 1 1 . 1 1 38 38 GLU HA H 38 3.756 3.756 3.458 0.298 19755 214 1 1 . 1 1 38 38 GLU C C 38 177.182 177.182 178.026 -0.844 19755 215 1 1 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.264 1.034 19755 216 1 1 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.295 -0.021 19755 217 1 1 . 1 1 38 38 GLU H H 38 7.849 7.849 7.850 -0.001 19755 218 1 1 . 1 1 39 39 GLU N N 39 119.119 119.119 118.585 0.534 19755 219 1 1 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.091 0.138 19755 220 1 1 . 1 1 39 39 GLU C C 39 179.781 179.781 178.796 0.985 19755 221 1 1 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.569 1.603 19755 222 1 1 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.760 1.299 19755 223 1 1 . 1 1 39 39 GLU H H 39 7.686 7.686 7.703 -0.017 19755 224 1 1 . 1 1 40 40 LEU N N 40 120.164 120.164 119.835 0.329 19755 225 1 1 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.752 -0.060 19755 226 1 1 . 1 1 40 40 LEU C C 40 177.155 177.155 177.887 -0.732 19755 227 1 1 . 1 1 40 40 LEU CA C 40 58.264 58.264 57.997 0.267 19755 228 1 1 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.603 -1.154 19755 229 1 1 . 1 1 40 40 LEU H H 40 7.739 7.739 7.318 0.421 19755 230 1 1 . 1 1 41 41 PHE N N 41 118.207 118.207 116.246 1.961 19755 231 1 1 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.277 -0.472 19755 232 1 1 . 1 1 41 41 PHE C C 41 176.387 176.387 178.036 -1.649 19755 233 1 1 . 1 1 41 41 PHE CA C 41 61.364 61.364 58.920 2.444 19755 234 1 1 . 1 1 41 41 PHE CB C 41 38.069 38.069 37.212 0.857 19755 235 1 1 . 1 1 41 41 PHE H H 41 7.825 7.825 6.534 1.291 19755 236 1 1 . 1 1 42 42 TRP N N 42 117.448 117.448 119.770 -2.322 19755 237 1 1 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.202 -0.078 19755 238 1 1 . 1 1 42 42 TRP C C 42 179.071 179.071 178.796 0.275 19755 239 1 1 . 1 1 42 42 TRP CA C 42 60.079 60.079 60.797 -0.718 19755 240 1 1 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.218 0.236 19755 241 1 1 . 1 1 42 42 TRP H H 42 8.266 8.266 8.647 -0.381 19755 242 1 1 . 1 1 43 43 GLU N N 43 120.573 120.573 117.483 3.090 19755 243 1 1 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.047 0.112 19755 244 1 1 . 1 1 43 43 GLU C C 43 179.556 179.556 178.544 1.012 19755 245 1 1 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.403 0.778 19755 246 1 1 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.447 0.055 19755 247 1 1 . 1 1 43 43 GLU H H 43 7.918 7.918 7.985 -0.067 19755 248 1 1 . 1 1 44 44 VAL N N 44 119.502 119.502 115.182 4.320 19755 249 1 1 . 1 1 44 44 VAL HA H 44 3.445 3.445 4.006 -0.561 19755 250 1 1 . 1 1 44 44 VAL C C 44 178.356 178.356 177.233 1.123 19755 251 1 1 . 1 1 44 44 VAL CA C 44 66.390 66.390 64.090 2.300 19755 252 1 1 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.458 -0.238 19755 253 1 1 . 1 1 44 44 VAL H H 44 7.947 7.947 7.397 0.550 19755 254 1 1 . 1 1 45 45 MET N N 45 117.691 117.691 119.886 -2.195 19755 255 1 1 . 1 1 45 45 MET HA H 45 4.118 4.118 4.074 0.044 19755 256 1 1 . 1 1 45 45 MET C C 45 179.207 179.207 178.786 0.421 19755 257 1 1 . 1 1 45 45 MET CA C 45 56.677 56.677 58.636 -1.959 19755 258 1 1 . 1 1 45 45 MET CB C 45 31.094 31.094 31.819 -0.725 19755 259 1 1 . 1 1 45 45 MET H H 45 7.998 7.998 8.329 -0.331 19755 260 1 1 . 1 1 46 46 ASP N N 46 119.109 119.109 120.464 -1.355 19755 261 1 1 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.374 0.167 19755 262 1 1 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.649 -0.707 19755 263 1 1 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.757 0.671 19755 264 1 1 . 1 1 46 46 ASP H H 46 7.773 7.773 8.499 -0.726 19755 265 1 1 . 1 1 47 47 GLU N N 47 118.018 118.018 117.656 0.362 19755 266 1 1 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.191 -0.023 19755 267 1 1 . 1 1 47 47 GLU C C 47 177.957 177.957 177.351 0.606 19755 268 1 1 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.277 -0.300 19755 269 1 1 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.657 0.747 19755 270 1 1 . 1 1 47 47 GLU H H 47 7.608 7.608 8.005 -0.397 19755 271 1 1 . 1 1 48 48 VAL N N 48 115.277 115.277 114.554 0.723 19755 272 1 1 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.310 -0.205 19755 273 1 1 . 1 1 48 48 VAL CA C 48 62.377 62.377 61.797 0.580 19755 274 1 1 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.971 0.895 19755 275 1 1 . 1 1 48 48 VAL H H 48 7.508 7.508 7.718 -0.210 19755 276 1 1 . 1 1 49 49 HIS N N 49 121.222 121.222 122.258 -1.036 19755 277 1 1 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.186 0.425 19755 278 1 1 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.940 -2.940 19755 279 1 1 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.334 -0.805 19755 280 1 1 . 1 1 49 49 HIS H H 49 8.099 8.099 7.745 0.354 19755 281 1 1 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.174 0.048 19755 282 1 1 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.343 -0.714 19755 283 1 1 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.296 1.127 19755 284 1 1 . 1 1 51 51 GLU N N 51 119.589 119.589 117.887 1.702 19755 285 1 1 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.116 0.118 19755 286 1 1 . 1 1 51 51 GLU C C 51 176.279 176.279 178.259 -1.980 19755 287 1 1 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.456 -0.909 19755 288 1 1 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.874 -0.293 19755 289 1 1 . 1 1 51 51 GLU H H 51 8.121 8.121 8.271 -0.150 19755 290 1 1 . 1 1 52 52 GLU N N 52 122.410 122.410 120.587 1.823 19755 291 1 1 . 1 1 52 52 GLU HA H 52 4.310 4.310 3.998 0.312 19755 292 1 1 . 1 1 52 52 GLU C C 52 176.127 176.127 178.531 -2.404 19755 293 1 1 . 1 1 52 52 GLU CA C 52 56.508 56.508 58.967 -2.459 19755 294 1 1 . 1 1 52 52 GLU CB C 52 30.565 30.565 29.063 1.502 19755 295 1 1 . 1 1 52 52 GLU H H 52 8.412 8.412 8.086 0.326 19755 296 1 1 . 1 1 53 53 GLU N N 53 121.407 121.407 119.020 2.387 19755 297 1 1 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.901 0.393 19755 298 1 1 . 1 1 53 53 GLU C C 53 176.242 176.242 177.951 -1.709 19755 299 1 1 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.470 -1.863 19755 300 1 1 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.457 1.982 19755 301 1 1 . 1 1 53 53 GLU H H 53 8.361 8.361 7.762 0.599 19755 302 1 1 . 1 1 54 54 PHE N N 54 121.128 121.128 118.042 3.086 19755 303 1 1 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.556 0.038 19755 304 1 1 . 1 1 54 54 PHE C C 54 176.021 176.021 176.219 -0.198 19755 305 1 1 . 1 1 54 54 PHE CA C 54 57.554 57.554 57.982 -0.428 19755 306 1 1 . 1 1 54 54 PHE CB C 54 40.192 40.192 39.265 0.927 19755 307 1 1 . 1 1 54 54 PHE H H 54 8.147 8.147 7.626 0.521 19755 308 1 1 . 1 1 55 55 ALA N N 55 126.124 126.124 120.021 6.103 19755 309 1 1 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.759 -0.338 19755 310 1 1 . 1 1 55 55 ALA C C 55 177.391 177.391 176.958 0.433 19755 311 1 1 . 1 1 55 55 ALA CA C 55 52.373 52.373 51.715 0.658 19755 312 1 1 . 1 1 55 55 ALA CB C 55 19.512 19.512 21.689 -2.177 19755 313 1 1 . 1 1 55 55 ALA H H 55 8.124 8.124 8.075 0.049 19755 314 1 1 . 1 1 56 56 VAL N N 56 119.019 119.019 122.702 -3.683 19755 315 1 1 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.055 0.078 19755 316 1 1 . 1 1 56 56 VAL C C 56 176.128 176.128 174.847 1.281 19755 317 1 1 . 1 1 56 56 VAL CA C 56 62.306 62.306 63.010 -0.704 19755 318 1 1 . 1 1 56 56 VAL CB C 56 33.274 33.274 29.814 3.460 19755 319 1 1 . 1 1 56 56 VAL H H 56 7.958 7.958 7.924 0.034 19755 320 1 1 . 1 1 57 57 GLU N N 57 124.588 124.588 126.183 -1.595 19755 321 1 1 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.578 -0.083 19755 322 1 1 . 1 1 57 57 GLU C C 57 176.082 176.082 175.438 0.644 19755 323 1 1 . 1 1 57 57 GLU CA C 57 56.056 56.056 55.877 0.179 19755 324 1 1 . 1 1 57 57 GLU CB C 57 31.303 31.303 30.148 1.155 19755 325 1 1 . 1 1 57 57 GLU H H 57 8.413 8.413 8.309 0.104 19755 326 1 1 . 1 1 58 58 GLY N N 58 110.794 110.794 109.162 1.632 19755 327 1 1 . 1 1 58 58 GLY C C 58 170.660 170.660 172.174 -1.514 19755 328 1 1 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.632 0.225 19755 329 1 1 . 1 1 58 58 GLY H H 58 8.040 8.040 7.936 0.104 19755 330 1 1 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.548 -0.117 19755 331 1 1 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.372 0.716 19755 332 1 1 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.737 -0.263 19755 333 1 1 . 1 1 60 60 LEU N N 60 120.609 120.609 119.111 1.498 19755 334 1 1 . 1 1 60 60 LEU C C 60 176.392 176.392 176.898 -0.506 19755 335 1 1 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.451 -0.527 19755 336 1 1 . 1 1 60 60 LEU CB C 60 45.038 45.038 43.118 1.920 19755 337 1 1 . 1 1 60 60 LEU H H 60 8.367 8.367 8.189 0.178 19755 338 1 1 . 1 1 61 61 TRP N N 61 124.050 124.050 121.173 2.877 19755 339 1 1 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.780 0.181 19755 340 1 1 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.784 -0.651 19755 341 1 1 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.107 -2.241 19755 342 1 1 . 1 1 61 61 TRP H H 61 9.101 9.101 8.171 0.930 19755 343 1 1 . 1 1 62 62 ILE N N 62 121.315 121.315 121.214 0.101 19755 344 1 1 . 1 1 62 62 ILE C C 62 174.576 174.576 174.638 -0.062 19755 345 1 1 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.000 1.556 19755 346 1 1 . 1 1 62 62 ILE CB C 62 40.639 40.639 40.796 -0.157 19755 347 1 1 . 1 1 62 62 ILE H H 62 7.863 7.863 8.434 -0.571 19755 348 1 1 . 1 1 63 63 GLN N N 63 127.300 127.300 124.973 2.327 19755 349 1 1 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.838 -0.304 19755 350 1 1 . 1 1 63 63 GLN C C 63 173.768 173.768 173.391 0.377 19755 351 1 1 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.547 -0.138 19755 352 1 1 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.411 -3.102 19755 353 1 1 . 1 1 63 63 GLN H H 63 8.881 8.881 8.958 -0.077 19755 354 1 1 . 1 1 64 64 VAL N N 64 123.414 123.414 120.727 2.687 19755 355 1 1 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.895 -0.218 19755 356 1 1 . 1 1 64 64 VAL C C 64 174.737 174.737 173.518 1.219 19755 357 1 1 . 1 1 64 64 VAL CA C 64 60.965 60.965 59.899 1.066 19755 358 1 1 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.028 -0.608 19755 359 1 1 . 1 1 64 64 VAL H H 64 8.330 8.330 8.309 0.021 19755 360 1 1 . 1 1 65 65 GLN N N 65 125.152 125.152 123.141 2.011 19755 361 1 1 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.633 0.118 19755 362 1 1 . 1 1 65 65 GLN C C 65 174.043 174.043 173.528 0.515 19755 363 1 1 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.478 0.943 19755 364 1 1 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.754 -0.798 19755 365 1 1 . 1 1 65 65 GLN H H 65 8.938 8.938 8.832 0.106 19755 366 1 1 . 1 1 66 66 ALA N N 66 127.534 127.534 123.866 3.668 19755 367 1 1 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.709 -0.073 19755 368 1 1 . 1 1 66 66 ALA C C 66 176.740 176.740 176.256 0.484 19755 369 1 1 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.179 1.622 19755 370 1 1 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.258 -0.912 19755 371 1 1 . 1 1 66 66 ALA H H 66 8.808 8.808 8.597 0.211 19755 372 1 1 . 1 1 67 67 LEU N N 67 124.609 124.609 122.130 2.479 19755 373 1 1 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.752 0.033 19755 374 1 1 . 1 1 67 67 LEU C C 67 177.190 177.190 178.322 -1.132 19755 375 1 1 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.880 -0.295 19755 376 1 1 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.383 -0.536 19755 377 1 1 . 1 1 67 67 LEU H H 67 8.541 8.541 8.780 -0.239 19755 378 1 1 . 1 1 68 68 ASP N N 68 120.713 120.713 120.637 0.076 19755 379 1 1 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.484 -0.054 19755 380 1 1 . 1 1 68 68 ASP C C 68 177.319 177.319 176.738 0.581 19755 381 1 1 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.685 1.405 19755 382 1 1 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.135 -0.220 19755 383 1 1 . 1 1 68 68 ASP H H 68 8.539 8.539 8.763 -0.224 19755 384 1 1 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.358 0.244 19755 385 1 1 . 1 1 69 69 LYS C C 69 176.282 176.282 174.272 2.010 19755 386 1 1 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.774 1.043 19755 387 1 1 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.309 1.254 19755 388 1 1 . 1 1 70 70 GLY N N 70 110.325 110.325 105.921 4.404 19755 389 1 1 . 1 1 70 70 GLY C C 70 169.572 169.572 171.368 -1.796 19755 390 1 1 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.453 -0.088 19755 391 1 1 . 1 1 70 70 GLY H H 70 6.977 6.977 7.114 -0.137 19755 392 1 1 . 1 1 71 71 LEU N N 71 116.716 116.716 118.737 -2.021 19755 393 1 1 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.103 -0.087 19755 394 1 1 . 1 1 71 71 LEU C C 71 174.299 174.299 175.169 -0.870 19755 395 1 1 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.414 -1.357 19755 396 1 1 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.967 -1.075 19755 397 1 1 . 1 1 71 71 LEU H H 71 8.032 8.032 8.607 -0.575 19755 398 1 1 . 1 1 72 72 GLU N N 72 120.507 120.507 121.924 -1.417 19755 399 1 1 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.043 -0.077 19755 400 1 1 . 1 1 72 72 GLU C C 72 174.588 174.588 175.475 -0.887 19755 401 1 1 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.941 -0.907 19755 402 1 1 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.522 1.870 19755 403 1 1 . 1 1 72 72 GLU H H 72 8.739 8.739 8.616 0.123 19755 404 1 1 . 1 1 73 73 ILE N N 73 127.226 127.226 124.744 2.482 19755 405 1 1 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.466 0.060 19755 406 1 1 . 1 1 73 73 ILE C C 73 173.786 173.786 174.740 -0.954 19755 407 1 1 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.334 1.094 19755 408 1 1 . 1 1 73 73 ILE CB C 73 39.105 39.105 38.958 0.147 19755 409 1 1 . 1 1 73 73 ILE H H 73 8.755 8.755 8.694 0.061 19755 410 1 1 . 1 1 74 74 ILE N N 74 126.107 126.107 127.504 -1.397 19755 411 1 1 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.571 0.095 19755 412 1 1 . 1 1 74 74 ILE C C 74 175.304 175.304 175.314 -0.010 19755 413 1 1 . 1 1 74 74 ILE CA C 74 60.808 60.808 60.547 0.261 19755 414 1 1 . 1 1 74 74 ILE CB C 74 40.432 40.432 39.445 0.987 19755 415 1 1 . 1 1 74 74 ILE H H 74 8.691 8.691 8.923 -0.232 19755 416 1 1 . 1 1 75 75 VAL N N 75 128.967 128.967 124.825 4.142 19755 417 1 1 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.187 -0.582 19755 418 1 1 . 1 1 75 75 VAL C C 75 174.187 174.187 175.085 -0.898 19755 419 1 1 . 1 1 75 75 VAL CA C 75 61.420 61.420 60.672 0.748 19755 420 1 1 . 1 1 75 75 VAL CB C 75 33.645 33.645 34.984 -1.339 19755 421 1 1 . 1 1 75 75 VAL H H 75 9.178 9.178 9.155 0.023 19755 422 1 1 . 1 1 76 76 THR HA H 76 5.743 5.743 5.075 0.668 19755 423 1 1 . 1 1 76 76 THR CA C 76 59.957 59.957 58.846 1.111 19755 424 1 1 . 1 1 76 76 THR CB C 76 71.833 71.833 71.388 0.445 19755 425 1 1 . 1 1 77 77 LYS N N 77 124.204 124.204 119.623 4.581 19755 426 1 1 . 1 1 77 77 LYS HA H 77 4.588 4.588 5.261 -0.673 19755 427 1 1 . 1 1 77 77 LYS CA C 77 55.751 55.751 55.514 0.236 19755 428 1 1 . 1 1 77 77 LYS CB C 77 33.947 33.947 36.902 -2.955 19755 429 1 1 . 1 1 77 77 LYS H H 77 8.688 8.688 8.271 0.417 19755 430 1 1 . 1 1 78 78 ALA N N 78 125.102 125.102 125.776 -0.674 19755 431 1 1 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.007 -0.031 19755 432 1 1 . 1 1 78 78 ALA C C 78 176.776 176.776 178.438 -1.662 19755 433 1 1 . 1 1 78 78 ALA CA C 78 52.431 52.431 55.094 -2.663 19755 434 1 1 . 1 1 78 78 ALA CB C 78 19.542 19.542 18.893 0.648 19755 435 1 1 . 1 1 78 78 ALA H H 78 8.137 8.137 9.307 -1.170 19755 436 1 1 . 1 1 79 79 GLN HA H 79 4.085 4.085 3.958 0.127 19755 437 1 1 . 1 1 79 79 GLN CA C 79 55.540 55.540 58.167 -2.627 19755 438 1 1 . 1 1 79 79 GLN CB C 79 29.617 29.617 28.340 1.277 19755 439 1 1 . 1 1 80 80 LEU HA H 80 4.295 4.295 3.554 0.741 19755 440 1 1 . 1 1 80 80 LEU CA C 80 55.034 55.034 56.693 -1.659 19755 441 1 1 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.062 0.258 19755 442 1 1 . 1 1 81 81 SER N N 81 116.580 116.580 110.691 5.889 19755 443 1 1 . 1 1 81 81 SER HA H 81 4.291 4.291 4.566 -0.275 19755 444 1 1 . 1 1 81 81 SER C C 81 174.770 174.770 173.681 1.089 19755 445 1 1 . 1 1 81 81 SER CA C 81 58.674 58.674 57.270 1.404 19755 446 1 1 . 1 1 81 81 SER CB C 81 63.931 63.931 63.642 0.289 19755 447 1 1 . 1 1 81 81 SER H H 81 8.214 8.214 7.643 0.571 19755 448 1 1 . 1 1 82 82 LYS N N 82 122.968 122.968 121.944 1.024 19755 449 1 1 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.071 0.212 19755 450 1 1 . 1 1 82 82 LYS C C 82 176.222 176.222 176.825 -0.603 19755 451 1 1 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.544 -2.002 19755 452 1 1 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.922 0.020 19755 453 1 1 . 1 1 82 82 LYS H H 82 8.255 8.255 7.465 0.790 19755 454 1 1 . 1 1 83 83 ASP N N 83 120.305 120.305 118.594 1.711 19755 455 1 1 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.565 -0.019 19755 456 1 1 . 1 1 83 83 ASP C C 83 176.527 176.527 175.346 1.181 19755 457 1 1 . 1 1 83 83 ASP CA C 83 54.864 54.864 54.855 0.009 19755 458 1 1 . 1 1 83 83 ASP CB C 83 41.156 41.156 41.270 -0.114 19755 459 1 1 . 1 1 83 83 ASP H H 83 8.158 8.158 8.230 -0.072 19755 460 1 1 . 1 1 84 84 LEU N N 84 121.499 121.499 126.224 -4.725 19755 461 1 1 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.417 -0.234 19755 462 1 1 . 1 1 84 84 LEU C C 84 177.585 177.585 177.143 0.442 19755 463 1 1 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.923 -0.881 19755 464 1 1 . 1 1 84 84 LEU CB C 84 42.379 42.379 42.992 -0.613 19755 465 1 1 . 1 1 84 84 LEU H H 84 7.955 7.955 8.358 -0.403 19755 466 1 1 . 1 1 85 85 ASP N N 85 119.668 119.668 120.377 -0.709 19755 467 1 1 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.386 0.114 19755 468 1 1 . 1 1 85 85 ASP C C 85 176.445 176.445 177.529 -1.084 19755 469 1 1 . 1 1 85 85 ASP CA C 85 55.143 55.143 56.405 -1.262 19755 470 1 1 . 1 1 85 85 ASP CB C 85 41.116 41.116 40.716 0.400 19755 471 1 1 . 1 1 85 85 ASP H H 85 8.207 8.207 8.660 -0.453 19755 472 1 1 . 1 1 86 86 LYS N N 86 119.760 119.760 117.463 2.297 19755 473 1 1 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.199 0.054 19755 474 1 1 . 1 1 86 86 LYS C C 86 176.336 176.336 177.374 -1.038 19755 475 1 1 . 1 1 86 86 LYS CA C 86 56.519 56.519 56.587 -0.068 19755 476 1 1 . 1 1 86 86 LYS CB C 86 33.072 33.072 32.659 0.413 19755 477 1 1 . 1 1 86 86 LYS H H 86 7.843 7.843 8.269 -0.426 19755 478 1 1 . 1 1 87 87 LEU N N 87 122.086 122.086 121.644 0.442 19755 479 1 1 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.302 0.007 19755 480 1 1 . 1 1 87 87 LEU C C 87 176.952 176.952 176.416 0.536 19755 481 1 1 . 1 1 87 87 LEU CA C 87 55.369 55.369 54.717 0.652 19755 482 1 1 . 1 1 87 87 LEU CB C 87 42.407 42.407 41.763 0.644 19755 483 1 1 . 1 1 87 87 LEU H H 87 8.008 8.008 7.606 0.402 19755 484 1 1 . 1 1 88 88 VAL N N 88 122.409 122.409 118.525 3.884 19755 485 1 1 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.677 -0.303 19755 486 1 1 . 1 1 88 88 VAL C C 88 174.225 174.225 175.270 -1.045 19755 487 1 1 . 1 1 88 88 VAL CA C 88 59.992 59.992 58.800 1.192 19755 488 1 1 . 1 1 88 88 VAL CB C 88 32.946 32.946 33.808 -0.862 19755 489 1 1 . 1 1 88 88 VAL H H 88 7.919 7.919 7.846 0.073 19755 490 1 1 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.701 -0.331 19755 491 1 1 . 1 1 89 89 PRO C C 89 176.035 176.035 176.124 -0.089 19755 492 1 1 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.043 0.549 19755 493 1 1 . 1 1 89 89 PRO CB C 89 32.218 32.218 30.748 1.470 19755 494 1 2 . 1 1 2 2 GLU N N 2 123.952 123.952 121.484 2.468 19755 495 1 2 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.830 -0.149 19755 496 1 2 . 1 1 2 2 GLU C C 2 174.704 174.704 175.506 -0.802 19755 497 1 2 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.194 0.672 19755 498 1 2 . 1 1 2 2 GLU CB C 2 32.406 32.406 29.888 2.518 19755 499 1 2 . 1 1 2 2 GLU H H 2 8.571 8.571 8.566 0.005 19755 500 1 2 . 1 1 3 3 ILE N N 3 121.558 121.558 122.635 -1.077 19755 501 1 2 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.111 0.601 19755 502 1 2 . 1 1 3 3 ILE C C 3 174.736 174.736 176.556 -1.820 19755 503 1 2 . 1 1 3 3 ILE CA C 3 60.277 60.277 61.306 -1.029 19755 504 1 2 . 1 1 3 3 ILE CB C 3 40.861 40.861 38.509 2.352 19755 505 1 2 . 1 1 3 3 ILE H H 3 8.565 8.565 8.400 0.165 19755 506 1 2 . 1 1 4 4 GLU N N 4 126.319 126.319 126.788 -0.469 19755 507 1 2 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.525 0.036 19755 508 1 2 . 1 1 4 4 GLU C C 4 174.708 174.708 174.812 -0.104 19755 509 1 2 . 1 1 4 4 GLU CA C 4 55.228 55.228 55.325 -0.097 19755 510 1 2 . 1 1 4 4 GLU CB C 4 33.009 33.009 32.495 0.513 19755 511 1 2 . 1 1 4 4 GLU H H 4 9.153 9.153 9.023 0.130 19755 512 1 2 . 1 1 5 5 ARG N N 5 127.727 127.727 127.153 0.574 19755 513 1 2 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.347 0.213 19755 514 1 2 . 1 1 5 5 ARG C C 5 175.807 175.807 176.030 -0.223 19755 515 1 2 . 1 1 5 5 ARG CA C 5 55.123 55.123 56.995 -1.872 19755 516 1 2 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.977 -0.324 19755 517 1 2 . 1 1 5 5 ARG H H 5 9.002 9.002 8.778 0.224 19755 518 1 2 . 1 1 6 6 ILE N N 6 129.149 129.149 123.563 5.586 19755 519 1 2 . 1 1 6 6 ILE HA H 6 3.904 3.904 4.102 -0.198 19755 520 1 2 . 1 1 6 6 ILE C C 6 176.468 176.468 176.005 0.463 19755 521 1 2 . 1 1 6 6 ILE CA C 6 62.971 62.971 61.876 1.095 19755 522 1 2 . 1 1 6 6 ILE CB C 6 38.162 38.162 38.619 -0.457 19755 523 1 2 . 1 1 6 6 ILE H H 6 8.030 8.030 8.378 -0.348 19755 524 1 2 . 1 1 7 7 ASN N N 7 112.808 112.808 115.490 -2.682 19755 525 1 2 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.909 -0.350 19755 526 1 2 . 1 1 7 7 ASN C C 7 175.254 175.254 174.709 0.545 19755 527 1 2 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.975 0.878 19755 528 1 2 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.147 -0.872 19755 529 1 2 . 1 1 7 7 ASN H H 7 8.147 8.147 7.856 0.291 19755 530 1 2 . 1 1 8 8 GLU N N 8 121.087 121.087 118.680 2.407 19755 531 1 2 . 1 1 8 8 GLU HA H 8 4.050 4.050 3.898 0.152 19755 532 1 2 . 1 1 8 8 GLU C C 8 176.486 176.486 175.933 0.553 19755 533 1 2 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.639 1.163 19755 534 1 2 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.401 0.051 19755 535 1 2 . 1 1 8 8 GLU H H 8 8.770 8.770 8.482 0.287 19755 536 1 2 . 1 1 9 9 HIS N N 9 113.719 113.719 113.425 0.294 19755 537 1 2 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.816 0.149 19755 538 1 2 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.560 -0.756 19755 539 1 2 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.533 0.451 19755 540 1 2 . 1 1 9 9 HIS H H 9 7.921 7.921 8.089 -0.168 19755 541 1 2 . 1 1 10 10 THR N N 10 116.218 116.218 115.707 0.511 19755 542 1 2 . 1 1 10 10 THR HA H 10 5.736 5.736 5.184 0.552 19755 543 1 2 . 1 1 10 10 THR C C 10 173.396 173.396 172.936 0.460 19755 544 1 2 . 1 1 10 10 THR CA C 10 62.820 62.820 61.689 1.131 19755 545 1 2 . 1 1 10 10 THR CB C 10 71.465 71.465 71.463 0.002 19755 546 1 2 . 1 1 10 10 THR H H 10 7.349 7.349 8.627 -1.278 19755 547 1 2 . 1 1 11 11 VAL N N 11 124.880 124.880 120.481 4.399 19755 548 1 2 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.216 -0.359 19755 549 1 2 . 1 1 11 11 VAL C C 11 172.156 172.156 173.502 -1.346 19755 550 1 2 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.100 0.776 19755 551 1 2 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.297 0.689 19755 552 1 2 . 1 1 11 11 VAL H H 11 9.043 9.043 9.064 -0.021 19755 553 1 2 . 1 1 12 12 LYS N N 12 124.164 124.164 121.009 3.155 19755 554 1 2 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.417 0.167 19755 555 1 2 . 1 1 12 12 LYS C C 12 173.380 173.380 174.747 -1.367 19755 556 1 2 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.456 -0.251 19755 557 1 2 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.932 0.525 19755 558 1 2 . 1 1 12 12 LYS H H 12 8.884 8.884 9.104 -0.220 19755 559 1 2 . 1 1 13 13 PHE N N 13 124.228 124.228 114.079 10.149 19755 560 1 2 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.511 -0.183 19755 561 1 2 . 1 1 13 13 PHE C C 13 172.237 172.237 172.849 -0.612 19755 562 1 2 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.032 -0.046 19755 563 1 2 . 1 1 13 13 PHE CB C 13 41.916 41.916 41.990 -0.074 19755 564 1 2 . 1 1 13 13 PHE H H 13 8.989 8.989 8.797 0.192 19755 565 1 2 . 1 1 14 14 TYR N N 14 121.263 121.263 120.905 0.358 19755 566 1 2 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.440 -0.053 19755 567 1 2 . 1 1 14 14 TYR C C 14 174.713 174.713 173.479 1.234 19755 568 1 2 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.784 0.169 19755 569 1 2 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.628 -1.120 19755 570 1 2 . 1 1 14 14 TYR H H 14 8.670 8.670 8.868 -0.198 19755 571 1 2 . 1 1 15 15 MET N N 15 124.869 124.869 126.253 -1.384 19755 572 1 2 . 1 1 15 15 MET HA H 15 4.417 4.417 4.656 -0.239 19755 573 1 2 . 1 1 15 15 MET C C 15 173.614 173.614 173.684 -0.070 19755 574 1 2 . 1 1 15 15 MET CA C 15 54.305 54.305 53.555 0.750 19755 575 1 2 . 1 1 15 15 MET CB C 15 37.439 37.439 35.705 1.734 19755 576 1 2 . 1 1 15 15 MET H H 15 7.927 7.927 8.729 -0.802 19755 577 1 2 . 1 1 16 16 SER N N 16 120.626 120.626 123.573 -2.947 19755 578 1 2 . 1 1 16 16 SER HA H 16 4.396 4.396 4.368 0.028 19755 579 1 2 . 1 1 16 16 SER C C 16 175.508 175.508 175.422 0.086 19755 580 1 2 . 1 1 16 16 SER CA C 16 57.637 57.637 58.243 -0.606 19755 581 1 2 . 1 1 16 16 SER CB C 16 65.033 65.033 63.989 1.044 19755 582 1 2 . 1 1 16 16 SER H H 16 9.061 9.061 8.453 0.608 19755 583 1 2 . 1 1 17 17 TYR N N 17 119.917 119.917 122.906 -2.989 19755 584 1 2 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.205 0.155 19755 585 1 2 . 1 1 17 17 TYR C C 17 178.684 178.684 178.193 0.491 19755 586 1 2 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.556 1.400 19755 587 1 2 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.733 -0.744 19755 588 1 2 . 1 1 17 17 TYR H H 17 8.411 8.411 8.572 -0.161 19755 589 1 2 . 1 1 18 18 GLY N N 18 107.011 107.011 104.378 2.633 19755 590 1 2 . 1 1 18 18 GLY C C 18 175.454 175.454 175.730 -0.276 19755 591 1 2 . 1 1 18 18 GLY CA C 18 47.446 47.446 45.748 1.698 19755 592 1 2 . 1 1 18 18 GLY H H 18 8.534 8.534 8.854 -0.320 19755 593 1 2 . 1 1 19 19 ASP N N 19 122.947 122.947 122.508 0.439 19755 594 1 2 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.499 -0.107 19755 595 1 2 . 1 1 19 19 ASP C C 19 179.020 179.020 178.429 0.591 19755 596 1 2 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.593 -0.150 19755 597 1 2 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.029 -0.115 19755 598 1 2 . 1 1 19 19 ASP H H 19 7.788 7.788 7.840 -0.052 19755 599 1 2 . 1 1 20 20 ILE N N 20 119.114 119.114 120.633 -1.519 19755 600 1 2 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.734 -0.206 19755 601 1 2 . 1 1 20 20 ILE C C 20 177.939 177.939 177.556 0.383 19755 602 1 2 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.898 1.412 19755 603 1 2 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.094 0.791 19755 604 1 2 . 1 1 20 20 ILE H H 20 7.762 7.762 7.500 0.262 19755 605 1 2 . 1 1 21 21 GLU N N 21 119.999 119.999 120.148 -0.149 19755 606 1 2 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.270 0.312 19755 607 1 2 . 1 1 21 21 GLU C C 21 181.888 181.888 179.713 2.175 19755 608 1 2 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.039 0.168 19755 609 1 2 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.374 0.040 19755 610 1 2 . 1 1 21 21 GLU H H 21 8.113 8.113 8.364 -0.251 19755 611 1 2 . 1 1 22 22 ASP N N 22 122.667 122.667 121.080 1.587 19755 612 1 2 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.496 -0.022 19755 613 1 2 . 1 1 22 22 ASP C C 22 178.184 178.184 177.861 0.323 19755 614 1 2 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.596 0.739 19755 615 1 2 . 1 1 22 22 ASP CB C 22 40.867 40.867 40.939 -0.072 19755 616 1 2 . 1 1 22 22 ASP H H 22 8.699 8.699 8.100 0.599 19755 617 1 2 . 1 1 23 23 ARG N N 23 116.862 116.862 117.514 -0.652 19755 618 1 2 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.402 -0.058 19755 619 1 2 . 1 1 23 23 ARG C C 23 176.101 176.101 177.015 -0.914 19755 620 1 2 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.475 0.177 19755 621 1 2 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.692 0.105 19755 622 1 2 . 1 1 23 23 ARG H H 23 7.380 7.380 7.730 -0.350 19755 623 1 2 . 1 1 24 24 GLY N N 24 106.318 106.318 105.979 0.339 19755 624 1 2 . 1 1 24 24 GLY C C 24 174.117 174.117 174.665 -0.548 19755 625 1 2 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.443 0.050 19755 626 1 2 . 1 1 24 24 GLY H H 24 8.004 8.004 7.904 0.100 19755 627 1 2 . 1 1 25 25 PHE N N 25 118.274 118.274 120.286 -2.012 19755 628 1 2 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.658 -0.036 19755 629 1 2 . 1 1 25 25 PHE C C 25 174.127 174.127 175.013 -0.886 19755 630 1 2 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.530 -0.600 19755 631 1 2 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.091 1.780 19755 632 1 2 . 1 1 25 25 PHE H H 25 7.550 7.550 8.259 -0.709 19755 633 1 2 . 1 1 26 26 ASP N N 26 121.320 121.320 118.198 3.122 19755 634 1 2 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.937 -0.043 19755 635 1 2 . 1 1 26 26 ASP C C 26 177.370 177.370 177.202 0.168 19755 636 1 2 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.656 0.451 19755 637 1 2 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.855 0.211 19755 638 1 2 . 1 1 26 26 ASP H H 26 8.891 8.891 8.498 0.393 19755 639 1 2 . 1 1 27 27 ARG N N 27 124.100 124.100 124.412 -0.312 19755 640 1 2 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.876 -0.034 19755 641 1 2 . 1 1 27 27 ARG C C 27 176.201 176.201 177.871 -1.670 19755 642 1 2 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.050 0.807 19755 643 1 2 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.026 -0.351 19755 644 1 2 . 1 1 27 27 ARG H H 27 9.033 9.033 8.757 0.276 19755 645 1 2 . 1 1 28 28 GLU N N 28 118.451 118.451 119.103 -0.652 19755 646 1 2 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.308 -0.271 19755 647 1 2 . 1 1 28 28 GLU C C 28 178.889 178.889 178.810 0.079 19755 648 1 2 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.259 -0.004 19755 649 1 2 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.762 -0.312 19755 650 1 2 . 1 1 28 28 GLU H H 28 8.362 8.362 8.204 0.158 19755 651 1 2 . 1 1 29 29 GLU N N 29 118.302 118.302 119.937 -1.635 19755 652 1 2 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.204 -0.119 19755 653 1 2 . 1 1 29 29 GLU C C 29 178.137 178.137 179.088 -0.951 19755 654 1 2 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.237 -0.277 19755 655 1 2 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.233 1.219 19755 656 1 2 . 1 1 29 29 GLU H H 29 7.821 7.821 7.934 -0.113 19755 657 1 2 . 1 1 30 30 ILE N N 30 115.456 115.456 118.801 -3.345 19755 658 1 2 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.816 -0.189 19755 659 1 2 . 1 1 30 30 ILE C C 30 176.229 176.229 178.144 -1.915 19755 660 1 2 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.872 -3.809 19755 661 1 2 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.979 -1.039 19755 662 1 2 . 1 1 30 30 ILE H H 30 7.363 7.363 8.400 -1.037 19755 663 1 2 . 1 1 31 31 TRP N N 31 116.714 116.714 117.516 -0.802 19755 664 1 2 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.236 -0.086 19755 665 1 2 . 1 1 31 31 TRP C C 31 178.092 178.092 176.878 1.214 19755 666 1 2 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.437 1.181 19755 667 1 2 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.106 0.522 19755 668 1 2 . 1 1 31 31 TRP H H 31 7.410 7.410 7.436 -0.026 19755 669 1 2 . 1 1 32 32 TYR N N 32 112.769 112.769 113.587 -0.818 19755 670 1 2 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.733 0.033 19755 671 1 2 . 1 1 32 32 TYR C C 32 175.767 175.767 175.399 0.368 19755 672 1 2 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.566 1.066 19755 673 1 2 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.309 0.913 19755 674 1 2 . 1 1 32 32 TYR H H 32 7.577 7.577 7.301 0.276 19755 675 1 2 . 1 1 33 33 ASN N N 33 120.521 120.521 119.757 0.764 19755 676 1 2 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.110 -0.062 19755 677 1 2 . 1 1 33 33 ASN C C 33 174.851 174.851 174.726 0.125 19755 678 1 2 . 1 1 33 33 ASN CA C 33 52.320 52.320 53.034 -0.714 19755 679 1 2 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.494 -0.281 19755 680 1 2 . 1 1 33 33 ASN H H 33 8.364 8.364 8.132 0.232 19755 681 1 2 . 1 1 34 34 ARG N N 34 126.163 126.163 125.490 0.673 19755 682 1 2 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.935 0.250 19755 683 1 2 . 1 1 34 34 ARG C C 34 178.509 178.509 177.854 0.655 19755 684 1 2 . 1 1 34 34 ARG CA C 34 58.504 58.504 60.348 -1.844 19755 685 1 2 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.376 -0.883 19755 686 1 2 . 1 1 34 34 ARG H H 34 8.830 8.830 8.991 -0.161 19755 687 1 2 . 1 1 35 35 GLU N N 35 118.994 118.994 116.375 2.619 19755 688 1 2 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.255 -0.095 19755 689 1 2 . 1 1 35 35 GLU C C 35 179.839 179.839 178.606 1.233 19755 690 1 2 . 1 1 35 35 GLU CA C 35 60.191 60.191 59.061 1.130 19755 691 1 2 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.759 0.674 19755 692 1 2 . 1 1 35 35 GLU H H 35 8.380 8.380 8.845 -0.465 19755 693 1 2 . 1 1 36 36 ARG N N 36 119.197 119.197 119.655 -0.458 19755 694 1 2 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.562 -0.162 19755 695 1 2 . 1 1 36 36 ARG C C 36 178.217 178.217 178.789 -0.572 19755 696 1 2 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.670 0.724 19755 697 1 2 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.752 -0.217 19755 698 1 2 . 1 1 36 36 ARG H H 36 7.686 7.686 8.062 -0.376 19755 699 1 2 . 1 1 37 37 SER N N 37 114.607 114.607 116.753 -2.146 19755 700 1 2 . 1 1 37 37 SER HA H 37 3.899 3.899 4.232 -0.333 19755 701 1 2 . 1 1 37 37 SER C C 37 178.298 178.298 176.357 1.941 19755 702 1 2 . 1 1 37 37 SER CA C 37 62.455 62.455 62.092 0.363 19755 703 1 2 . 1 1 37 37 SER CB C 37 62.542 62.542 62.870 -0.328 19755 704 1 2 . 1 1 37 37 SER H H 37 8.282 8.282 8.410 -0.128 19755 705 1 2 . 1 1 38 38 GLU N N 38 121.063 121.063 122.262 -1.199 19755 706 1 2 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.165 -0.409 19755 707 1 2 . 1 1 38 38 GLU C C 38 177.182 177.182 178.914 -1.732 19755 708 1 2 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.807 0.491 19755 709 1 2 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.625 -0.351 19755 710 1 2 . 1 1 38 38 GLU H H 38 7.849 7.849 7.878 -0.029 19755 711 1 2 . 1 1 39 39 GLU N N 39 119.119 119.119 119.104 0.015 19755 712 1 2 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.214 0.015 19755 713 1 2 . 1 1 39 39 GLU C C 39 179.781 179.781 178.989 0.792 19755 714 1 2 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.946 1.226 19755 715 1 2 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.943 1.116 19755 716 1 2 . 1 1 39 39 GLU H H 39 7.686 7.686 7.834 -0.148 19755 717 1 2 . 1 1 40 40 LEU N N 40 120.164 120.164 120.576 -0.412 19755 718 1 2 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.704 -0.012 19755 719 1 2 . 1 1 40 40 LEU C C 40 177.155 177.155 177.750 -0.595 19755 720 1 2 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.486 -0.222 19755 721 1 2 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.050 -0.601 19755 722 1 2 . 1 1 40 40 LEU H H 40 7.739 7.739 7.961 -0.222 19755 723 1 2 . 1 1 41 41 PHE N N 41 118.207 118.207 116.797 1.410 19755 724 1 2 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.135 -0.330 19755 725 1 2 . 1 1 41 41 PHE C C 41 176.387 176.387 177.870 -1.483 19755 726 1 2 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.711 -0.347 19755 727 1 2 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.051 0.018 19755 728 1 2 . 1 1 41 41 PHE H H 41 7.825 7.825 7.359 0.466 19755 729 1 2 . 1 1 42 42 TRP N N 42 117.448 117.448 119.674 -2.226 19755 730 1 2 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.183 -0.059 19755 731 1 2 . 1 1 42 42 TRP C C 42 179.071 179.071 178.368 0.703 19755 732 1 2 . 1 1 42 42 TRP CA C 42 60.079 60.079 60.958 -0.879 19755 733 1 2 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.347 0.107 19755 734 1 2 . 1 1 42 42 TRP H H 42 8.266 8.266 8.585 -0.319 19755 735 1 2 . 1 1 43 43 GLU N N 43 120.573 120.573 119.707 0.866 19755 736 1 2 . 1 1 43 43 GLU HA H 43 4.159 4.159 3.999 0.160 19755 737 1 2 . 1 1 43 43 GLU C C 43 179.556 179.556 178.953 0.603 19755 738 1 2 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.481 0.700 19755 739 1 2 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.206 0.296 19755 740 1 2 . 1 1 43 43 GLU H H 43 7.918 7.918 8.128 -0.210 19755 741 1 2 . 1 1 44 44 VAL N N 44 119.502 119.502 116.316 3.186 19755 742 1 2 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.443 0.002 19755 743 1 2 . 1 1 44 44 VAL C C 44 178.356 178.356 177.737 0.619 19755 744 1 2 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.478 0.912 19755 745 1 2 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.132 0.088 19755 746 1 2 . 1 1 44 44 VAL H H 44 7.947 7.947 7.567 0.380 19755 747 1 2 . 1 1 45 45 MET N N 45 117.691 117.691 119.733 -2.042 19755 748 1 2 . 1 1 45 45 MET HA H 45 4.118 4.118 4.108 0.010 19755 749 1 2 . 1 1 45 45 MET C C 45 179.207 179.207 177.839 1.368 19755 750 1 2 . 1 1 45 45 MET CA C 45 56.677 56.677 57.139 -0.462 19755 751 1 2 . 1 1 45 45 MET CB C 45 31.094 31.094 32.058 -0.964 19755 752 1 2 . 1 1 45 45 MET H H 45 7.998 7.998 7.818 0.180 19755 753 1 2 . 1 1 46 46 ASP N N 46 119.109 119.109 119.431 -0.322 19755 754 1 2 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.230 0.311 19755 755 1 2 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.241 -0.299 19755 756 1 2 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.898 0.530 19755 757 1 2 . 1 1 46 46 ASP H H 46 7.773 7.773 8.119 -0.346 19755 758 1 2 . 1 1 47 47 GLU N N 47 118.018 118.018 118.007 0.011 19755 759 1 2 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.150 0.018 19755 760 1 2 . 1 1 47 47 GLU C C 47 177.957 177.957 177.682 0.275 19755 761 1 2 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.217 -0.240 19755 762 1 2 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.866 0.537 19755 763 1 2 . 1 1 47 47 GLU H H 47 7.608 7.608 7.805 -0.197 19755 764 1 2 . 1 1 48 48 VAL N N 48 115.277 115.277 112.323 2.954 19755 765 1 2 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.374 -0.269 19755 766 1 2 . 1 1 48 48 VAL CA C 48 62.377 62.377 62.737 -0.360 19755 767 1 2 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.324 1.542 19755 768 1 2 . 1 1 48 48 VAL H H 48 7.508 7.508 7.488 0.020 19755 769 1 2 . 1 1 49 49 HIS N N 49 121.222 121.222 122.448 -1.226 19755 770 1 2 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.171 0.440 19755 771 1 2 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.400 -2.400 19755 772 1 2 . 1 1 49 49 HIS CB C 49 29.529 29.529 29.719 -0.190 19755 773 1 2 . 1 1 49 49 HIS H H 49 8.099 8.099 7.962 0.137 19755 774 1 2 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.072 0.150 19755 775 1 2 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.302 -0.673 19755 776 1 2 . 1 1 50 50 GLU CB C 50 30.423 30.423 28.821 1.602 19755 777 1 2 . 1 1 51 51 GLU N N 51 119.589 119.589 118.084 1.505 19755 778 1 2 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.307 -0.073 19755 779 1 2 . 1 1 51 51 GLU C C 51 176.279 176.279 178.098 -1.819 19755 780 1 2 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.511 -0.964 19755 781 1 2 . 1 1 51 51 GLU CB C 51 30.581 30.581 31.422 -0.841 19755 782 1 2 . 1 1 51 51 GLU H H 51 8.121 8.121 8.105 0.016 19755 783 1 2 . 1 1 52 52 GLU N N 52 122.410 122.410 119.704 2.706 19755 784 1 2 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.081 0.229 19755 785 1 2 . 1 1 52 52 GLU C C 52 176.127 176.127 178.432 -2.305 19755 786 1 2 . 1 1 52 52 GLU CA C 52 56.508 56.508 57.800 -1.292 19755 787 1 2 . 1 1 52 52 GLU CB C 52 30.565 30.565 28.805 1.760 19755 788 1 2 . 1 1 52 52 GLU H H 52 8.412 8.412 8.356 0.056 19755 789 1 2 . 1 1 53 53 GLU N N 53 121.407 121.407 120.308 1.099 19755 790 1 2 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.609 0.685 19755 791 1 2 . 1 1 53 53 GLU C C 53 176.242 176.242 178.705 -2.463 19755 792 1 2 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.505 -1.898 19755 793 1 2 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.547 1.892 19755 794 1 2 . 1 1 53 53 GLU H H 53 8.361 8.361 7.901 0.460 19755 795 1 2 . 1 1 54 54 PHE N N 54 121.128 121.128 118.676 2.452 19755 796 1 2 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.465 0.129 19755 797 1 2 . 1 1 54 54 PHE C C 54 176.021 176.021 175.867 0.154 19755 798 1 2 . 1 1 54 54 PHE CA C 54 57.554 57.554 58.280 -0.726 19755 799 1 2 . 1 1 54 54 PHE CB C 54 40.192 40.192 39.051 1.141 19755 800 1 2 . 1 1 54 54 PHE H H 54 8.147 8.147 7.546 0.601 19755 801 1 2 . 1 1 55 55 ALA N N 55 126.124 126.124 120.653 5.471 19755 802 1 2 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.681 -0.260 19755 803 1 2 . 1 1 55 55 ALA C C 55 177.391 177.391 175.451 1.940 19755 804 1 2 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.195 0.178 19755 805 1 2 . 1 1 55 55 ALA CB C 55 19.512 19.512 19.822 -0.310 19755 806 1 2 . 1 1 55 55 ALA H H 55 8.124 8.124 7.855 0.269 19755 807 1 2 . 1 1 56 56 VAL N N 56 119.019 119.019 119.500 -0.481 19755 808 1 2 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.357 -0.224 19755 809 1 2 . 1 1 56 56 VAL C C 56 176.128 176.128 174.443 1.685 19755 810 1 2 . 1 1 56 56 VAL CA C 56 62.306 62.306 61.686 0.620 19755 811 1 2 . 1 1 56 56 VAL CB C 56 33.274 33.274 31.364 1.910 19755 812 1 2 . 1 1 56 56 VAL H H 56 7.958 7.958 8.154 -0.196 19755 813 1 2 . 1 1 57 57 GLU N N 57 124.588 124.588 123.798 0.790 19755 814 1 2 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.561 -0.066 19755 815 1 2 . 1 1 57 57 GLU C C 57 176.082 176.082 175.988 0.094 19755 816 1 2 . 1 1 57 57 GLU CA C 57 56.056 56.056 56.014 0.042 19755 817 1 2 . 1 1 57 57 GLU CB C 57 31.303 31.303 30.070 1.233 19755 818 1 2 . 1 1 57 57 GLU H H 57 8.413 8.413 8.578 -0.165 19755 819 1 2 . 1 1 58 58 GLY N N 58 110.794 110.794 109.566 1.228 19755 820 1 2 . 1 1 58 58 GLY C C 58 170.660 170.660 172.113 -1.453 19755 821 1 2 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.795 0.062 19755 822 1 2 . 1 1 58 58 GLY H H 58 8.040 8.040 7.881 0.159 19755 823 1 2 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.429 0.002 19755 824 1 2 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.619 0.469 19755 825 1 2 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.756 -0.282 19755 826 1 2 . 1 1 60 60 LEU N N 60 120.609 120.609 119.307 1.302 19755 827 1 2 . 1 1 60 60 LEU C C 60 176.392 176.392 175.217 1.175 19755 828 1 2 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.132 -0.208 19755 829 1 2 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.216 -0.178 19755 830 1 2 . 1 1 60 60 LEU H H 60 8.367 8.367 7.956 0.411 19755 831 1 2 . 1 1 61 61 TRP N N 61 124.050 124.050 123.998 0.052 19755 832 1 2 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.877 0.084 19755 833 1 2 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.717 -0.584 19755 834 1 2 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.301 -2.435 19755 835 1 2 . 1 1 61 61 TRP H H 61 9.101 9.101 8.311 0.790 19755 836 1 2 . 1 1 62 62 ILE N N 62 121.315 121.315 121.680 -0.365 19755 837 1 2 . 1 1 62 62 ILE C C 62 174.576 174.576 174.587 -0.011 19755 838 1 2 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.750 0.806 19755 839 1 2 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.111 -0.472 19755 840 1 2 . 1 1 62 62 ILE H H 62 7.863 7.863 8.562 -0.699 19755 841 1 2 . 1 1 63 63 GLN N N 63 127.300 127.300 126.463 0.837 19755 842 1 2 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.951 -0.417 19755 843 1 2 . 1 1 63 63 GLN C C 63 173.768 173.768 173.505 0.263 19755 844 1 2 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.736 -0.327 19755 845 1 2 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.433 -3.124 19755 846 1 2 . 1 1 63 63 GLN H H 63 8.881 8.881 9.291 -0.410 19755 847 1 2 . 1 1 64 64 VAL N N 64 123.414 123.414 122.192 1.222 19755 848 1 2 . 1 1 64 64 VAL HA H 64 4.677 4.677 5.073 -0.396 19755 849 1 2 . 1 1 64 64 VAL C C 64 174.737 174.737 173.707 1.030 19755 850 1 2 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.364 0.601 19755 851 1 2 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.352 -0.932 19755 852 1 2 . 1 1 64 64 VAL H H 64 8.330 8.330 8.501 -0.171 19755 853 1 2 . 1 1 65 65 GLN N N 65 125.152 125.152 124.081 1.071 19755 854 1 2 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.778 -0.027 19755 855 1 2 . 1 1 65 65 GLN C C 65 174.043 174.043 173.815 0.228 19755 856 1 2 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.673 0.748 19755 857 1 2 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.648 -0.692 19755 858 1 2 . 1 1 65 65 GLN H H 65 8.938 8.938 8.985 -0.047 19755 859 1 2 . 1 1 66 66 ALA N N 66 127.534 127.534 124.375 3.159 19755 860 1 2 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.917 -0.281 19755 861 1 2 . 1 1 66 66 ALA C C 66 176.740 176.740 176.502 0.238 19755 862 1 2 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.759 1.042 19755 863 1 2 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.024 -0.678 19755 864 1 2 . 1 1 66 66 ALA H H 66 8.808 8.808 8.725 0.083 19755 865 1 2 . 1 1 67 67 LEU N N 67 124.609 124.609 121.855 2.754 19755 866 1 2 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.739 0.046 19755 867 1 2 . 1 1 67 67 LEU C C 67 177.190 177.190 178.256 -1.066 19755 868 1 2 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.884 -0.299 19755 869 1 2 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.527 -0.681 19755 870 1 2 . 1 1 67 67 LEU H H 67 8.541 8.541 8.766 -0.225 19755 871 1 2 . 1 1 68 68 ASP N N 68 120.713 120.713 120.792 -0.079 19755 872 1 2 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.451 -0.021 19755 873 1 2 . 1 1 68 68 ASP C C 68 177.319 177.319 176.624 0.695 19755 874 1 2 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.717 1.373 19755 875 1 2 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.120 -0.205 19755 876 1 2 . 1 1 68 68 ASP H H 68 8.539 8.539 8.760 -0.221 19755 877 1 2 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.274 0.328 19755 878 1 2 . 1 1 69 69 LYS C C 69 176.282 176.282 174.352 1.930 19755 879 1 2 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.730 1.087 19755 880 1 2 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.148 1.415 19755 881 1 2 . 1 1 70 70 GLY N N 70 110.325 110.325 106.108 4.217 19755 882 1 2 . 1 1 70 70 GLY C C 70 169.572 169.572 171.424 -1.852 19755 883 1 2 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.532 -0.168 19755 884 1 2 . 1 1 70 70 GLY H H 70 6.977 6.977 7.146 -0.169 19755 885 1 2 . 1 1 71 71 LEU N N 71 116.716 116.716 119.061 -2.345 19755 886 1 2 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.290 -0.274 19755 887 1 2 . 1 1 71 71 LEU C C 71 174.299 174.299 175.037 -0.738 19755 888 1 2 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.181 -1.124 19755 889 1 2 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.686 -0.794 19755 890 1 2 . 1 1 71 71 LEU H H 71 8.032 8.032 8.569 -0.537 19755 891 1 2 . 1 1 72 72 GLU N N 72 120.507 120.507 121.502 -0.995 19755 892 1 2 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.103 -0.137 19755 893 1 2 . 1 1 72 72 GLU C C 72 174.588 174.588 175.315 -0.727 19755 894 1 2 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.446 -0.412 19755 895 1 2 . 1 1 72 72 GLU CB C 72 33.392 33.392 32.308 1.084 19755 896 1 2 . 1 1 72 72 GLU H H 72 8.739 8.739 8.736 0.003 19755 897 1 2 . 1 1 73 73 ILE N N 73 127.226 127.226 123.691 3.535 19755 898 1 2 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.563 -0.037 19755 899 1 2 . 1 1 73 73 ILE C C 73 173.786 173.786 174.373 -0.587 19755 900 1 2 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.455 0.973 19755 901 1 2 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.717 -0.612 19755 902 1 2 . 1 1 73 73 ILE H H 73 8.755 8.755 8.705 0.050 19755 903 1 2 . 1 1 74 74 ILE N N 74 126.107 126.107 127.790 -1.683 19755 904 1 2 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.630 0.036 19755 905 1 2 . 1 1 74 74 ILE C C 74 175.304 175.304 174.565 0.739 19755 906 1 2 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.429 1.379 19755 907 1 2 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.565 -0.133 19755 908 1 2 . 1 1 74 74 ILE H H 74 8.691 8.691 8.957 -0.266 19755 909 1 2 . 1 1 75 75 VAL N N 75 128.967 128.967 123.201 5.766 19755 910 1 2 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.296 -0.691 19755 911 1 2 . 1 1 75 75 VAL C C 75 174.187 174.187 174.261 -0.074 19755 912 1 2 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.809 1.611 19755 913 1 2 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.751 -2.106 19755 914 1 2 . 1 1 75 75 VAL H H 75 9.178 9.178 9.276 -0.098 19755 915 1 2 . 1 1 76 76 THR HA H 76 5.743 5.743 5.099 0.644 19755 916 1 2 . 1 1 76 76 THR CA C 76 59.957 59.957 59.760 0.197 19755 917 1 2 . 1 1 76 76 THR CB C 76 71.833 71.833 72.641 -0.808 19755 918 1 2 . 1 1 77 77 LYS N N 77 124.204 124.204 121.251 2.953 19755 919 1 2 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.960 -0.372 19755 920 1 2 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.750 1.001 19755 921 1 2 . 1 1 77 77 LYS CB C 77 33.947 33.947 36.097 -2.150 19755 922 1 2 . 1 1 77 77 LYS H H 77 8.688 8.688 8.507 0.181 19755 923 1 2 . 1 1 78 78 ALA N N 78 125.102 125.102 123.882 1.220 19755 924 1 2 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.122 -0.146 19755 925 1 2 . 1 1 78 78 ALA C C 78 176.776 176.776 177.479 -0.703 19755 926 1 2 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.577 -0.145 19755 927 1 2 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.210 0.331 19755 928 1 2 . 1 1 78 78 ALA H H 78 8.137 8.137 8.450 -0.313 19755 929 1 2 . 1 1 79 79 GLN HA H 79 4.085 4.085 3.003 1.082 19755 930 1 2 . 1 1 79 79 GLN CA C 79 55.540 55.540 55.313 0.227 19755 931 1 2 . 1 1 79 79 GLN CB C 79 29.617 29.617 29.099 0.518 19755 932 1 2 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.654 -0.359 19755 933 1 2 . 1 1 80 80 LEU CA C 80 55.034 55.034 52.740 2.294 19755 934 1 2 . 1 1 80 80 LEU CB C 80 42.320 42.320 45.019 -2.699 19755 935 1 2 . 1 1 81 81 SER N N 81 116.580 116.580 118.297 -1.717 19755 936 1 2 . 1 1 81 81 SER HA H 81 4.291 4.291 4.218 0.073 19755 937 1 2 . 1 1 81 81 SER C C 81 174.770 174.770 176.198 -1.428 19755 938 1 2 . 1 1 81 81 SER CA C 81 58.674 58.674 60.389 -1.716 19755 939 1 2 . 1 1 81 81 SER CB C 81 63.931 63.931 63.094 0.837 19755 940 1 2 . 1 1 81 81 SER H H 81 8.214 8.214 8.789 -0.575 19755 941 1 2 . 1 1 82 82 LYS N N 82 122.968 122.968 123.434 -0.466 19755 942 1 2 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.002 0.281 19755 943 1 2 . 1 1 82 82 LYS C C 82 176.222 176.222 177.346 -1.124 19755 944 1 2 . 1 1 82 82 LYS CA C 82 56.542 56.542 59.023 -2.481 19755 945 1 2 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.251 0.691 19755 946 1 2 . 1 1 82 82 LYS H H 82 8.255 8.255 7.894 0.361 19755 947 1 2 . 1 1 83 83 ASP N N 83 120.305 120.305 118.073 2.232 19755 948 1 2 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.858 -0.312 19755 949 1 2 . 1 1 83 83 ASP C C 83 176.527 176.527 175.771 0.756 19755 950 1 2 . 1 1 83 83 ASP CA C 83 54.864 54.864 54.401 0.463 19755 951 1 2 . 1 1 83 83 ASP CB C 83 41.156 41.156 39.693 1.463 19755 952 1 2 . 1 1 83 83 ASP H H 83 8.158 8.158 8.081 0.077 19755 953 1 2 . 1 1 84 84 LEU N N 84 121.499 121.499 119.877 1.622 19755 954 1 2 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.458 -0.275 19755 955 1 2 . 1 1 84 84 LEU C C 84 177.585 177.585 177.485 0.100 19755 956 1 2 . 1 1 84 84 LEU CA C 84 56.042 56.042 55.696 0.346 19755 957 1 2 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.852 -1.473 19755 958 1 2 . 1 1 84 84 LEU H H 84 7.955 7.955 7.740 0.215 19755 959 1 2 . 1 1 85 85 ASP N N 85 119.668 119.668 120.089 -0.421 19755 960 1 2 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.514 -0.014 19755 961 1 2 . 1 1 85 85 ASP C C 85 176.445 176.445 176.676 -0.231 19755 962 1 2 . 1 1 85 85 ASP CA C 85 55.143 55.143 56.297 -1.154 19755 963 1 2 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.844 -0.728 19755 964 1 2 . 1 1 85 85 ASP H H 85 8.207 8.207 8.079 0.128 19755 965 1 2 . 1 1 86 86 LYS N N 86 119.760 119.760 117.724 2.036 19755 966 1 2 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.620 -0.367 19755 967 1 2 . 1 1 86 86 LYS C C 86 176.336 176.336 175.875 0.461 19755 968 1 2 . 1 1 86 86 LYS CA C 86 56.519 56.519 54.059 2.461 19755 969 1 2 . 1 1 86 86 LYS CB C 86 33.072 33.072 34.773 -1.701 19755 970 1 2 . 1 1 86 86 LYS H H 86 7.843 7.843 8.027 -0.184 19755 971 1 2 . 1 1 87 87 LEU N N 87 122.086 122.086 120.213 1.873 19755 972 1 2 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.327 -0.018 19755 973 1 2 . 1 1 87 87 LEU C C 87 176.952 176.952 177.574 -0.622 19755 974 1 2 . 1 1 87 87 LEU CA C 87 55.369 55.369 54.607 0.762 19755 975 1 2 . 1 1 87 87 LEU CB C 87 42.407 42.407 42.664 -0.257 19755 976 1 2 . 1 1 87 87 LEU H H 87 8.008 8.008 8.251 -0.243 19755 977 1 2 . 1 1 88 88 VAL N N 88 122.409 122.409 116.619 5.790 19755 978 1 2 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.525 -0.151 19755 979 1 2 . 1 1 88 88 VAL C C 88 174.225 174.225 174.009 0.216 19755 980 1 2 . 1 1 88 88 VAL CA C 88 59.992 59.992 58.150 1.842 19755 981 1 2 . 1 1 88 88 VAL CB C 88 32.946 32.946 31.733 1.214 19755 982 1 2 . 1 1 88 88 VAL H H 88 7.919 7.919 8.141 -0.222 19755 983 1 2 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.467 -0.097 19755 984 1 2 . 1 1 89 89 PRO C C 89 176.035 176.035 177.402 -1.367 19755 985 1 2 . 1 1 89 89 PRO CA C 89 63.592 63.592 62.892 0.700 19755 986 1 2 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.092 0.126 19755 987 1 3 . 1 1 2 2 GLU N N 2 123.952 123.952 121.488 2.464 19755 988 1 3 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.828 -0.147 19755 989 1 3 . 1 1 2 2 GLU C C 2 174.704 174.704 175.719 -1.015 19755 990 1 3 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.085 0.781 19755 991 1 3 . 1 1 2 2 GLU CB C 2 32.406 32.406 29.649 2.757 19755 992 1 3 . 1 1 2 2 GLU H H 2 8.571 8.571 8.636 -0.065 19755 993 1 3 . 1 1 3 3 ILE N N 3 121.558 121.558 122.748 -1.190 19755 994 1 3 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.325 0.387 19755 995 1 3 . 1 1 3 3 ILE C C 3 174.736 174.736 176.706 -1.970 19755 996 1 3 . 1 1 3 3 ILE CA C 3 60.277 60.277 60.859 -0.582 19755 997 1 3 . 1 1 3 3 ILE CB C 3 40.861 40.861 38.346 2.514 19755 998 1 3 . 1 1 3 3 ILE H H 3 8.565 8.565 8.353 0.212 19755 999 1 3 . 1 1 4 4 GLU N N 4 126.319 126.319 125.737 0.582 19755 1000 1 3 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.611 -0.050 19755 1001 1 3 . 1 1 4 4 GLU C C 4 174.708 174.708 174.884 -0.176 19755 1002 1 3 . 1 1 4 4 GLU CA C 4 55.228 55.228 55.103 0.125 19755 1003 1 3 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.318 -0.309 19755 1004 1 3 . 1 1 4 4 GLU H H 4 9.153 9.153 9.149 0.004 19755 1005 1 3 . 1 1 5 5 ARG N N 5 127.727 127.727 126.045 1.682 19755 1006 1 3 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.434 0.126 19755 1007 1 3 . 1 1 5 5 ARG C C 5 175.807 175.807 175.690 0.117 19755 1008 1 3 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.958 0.165 19755 1009 1 3 . 1 1 5 5 ARG CB C 5 29.653 29.653 30.111 -0.458 19755 1010 1 3 . 1 1 5 5 ARG H H 5 9.002 9.002 8.945 0.057 19755 1011 1 3 . 1 1 6 6 ILE N N 6 129.149 129.149 126.444 2.705 19755 1012 1 3 . 1 1 6 6 ILE HA H 6 3.904 3.904 4.035 -0.131 19755 1013 1 3 . 1 1 6 6 ILE C C 6 176.468 176.468 177.241 -0.773 19755 1014 1 3 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.001 0.970 19755 1015 1 3 . 1 1 6 6 ILE CB C 6 38.162 38.162 38.263 -0.101 19755 1016 1 3 . 1 1 6 6 ILE H H 6 8.030 8.030 8.355 -0.325 19755 1017 1 3 . 1 1 7 7 ASN N N 7 112.808 112.808 114.660 -1.852 19755 1018 1 3 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.728 -0.169 19755 1019 1 3 . 1 1 7 7 ASN C C 7 175.254 175.254 175.904 -0.650 19755 1020 1 3 . 1 1 7 7 ASN CA C 7 52.853 52.853 52.833 0.020 19755 1021 1 3 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.952 -1.677 19755 1022 1 3 . 1 1 7 7 ASN H H 7 8.147 8.147 7.974 0.173 19755 1023 1 3 . 1 1 8 8 GLU N N 8 121.087 121.087 119.876 1.211 19755 1024 1 3 . 1 1 8 8 GLU HA H 8 4.050 4.050 3.785 0.265 19755 1025 1 3 . 1 1 8 8 GLU C C 8 176.486 176.486 175.708 0.778 19755 1026 1 3 . 1 1 8 8 GLU CA C 8 59.802 59.802 59.677 0.125 19755 1027 1 3 . 1 1 8 8 GLU CB C 8 29.451 29.451 27.964 1.487 19755 1028 1 3 . 1 1 8 8 GLU H H 8 8.770 8.770 8.382 0.388 19755 1029 1 3 . 1 1 9 9 HIS N N 9 113.719 113.719 116.875 -3.156 19755 1030 1 3 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.432 0.533 19755 1031 1 3 . 1 1 9 9 HIS CA C 9 55.805 55.805 57.689 -1.884 19755 1032 1 3 . 1 1 9 9 HIS CB C 9 32.984 32.984 30.524 2.460 19755 1033 1 3 . 1 1 9 9 HIS H H 9 7.921 7.921 7.729 0.192 19755 1034 1 3 . 1 1 10 10 THR N N 10 116.218 116.218 114.330 1.888 19755 1035 1 3 . 1 1 10 10 THR HA H 10 5.736 5.736 5.185 0.551 19755 1036 1 3 . 1 1 10 10 THR C C 10 173.396 173.396 173.569 -0.173 19755 1037 1 3 . 1 1 10 10 THR CA C 10 62.820 62.820 62.665 0.155 19755 1038 1 3 . 1 1 10 10 THR CB C 10 71.465 71.465 70.614 0.851 19755 1039 1 3 . 1 1 10 10 THR H H 10 7.349 7.349 8.626 -1.277 19755 1040 1 3 . 1 1 11 11 VAL N N 11 124.880 124.880 119.577 5.303 19755 1041 1 3 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.115 -0.258 19755 1042 1 3 . 1 1 11 11 VAL C C 11 172.156 172.156 173.458 -1.302 19755 1043 1 3 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.179 0.697 19755 1044 1 3 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.696 0.290 19755 1045 1 3 . 1 1 11 11 VAL H H 11 9.043 9.043 9.287 -0.244 19755 1046 1 3 . 1 1 12 12 LYS N N 12 124.164 124.164 118.911 5.253 19755 1047 1 3 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.469 0.115 19755 1048 1 3 . 1 1 12 12 LYS C C 12 173.380 173.380 174.975 -1.595 19755 1049 1 3 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.314 -0.109 19755 1050 1 3 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.952 0.505 19755 1051 1 3 . 1 1 12 12 LYS H H 12 8.884 8.884 9.068 -0.184 19755 1052 1 3 . 1 1 13 13 PHE N N 13 124.228 124.228 113.841 10.387 19755 1053 1 3 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.618 -0.290 19755 1054 1 3 . 1 1 13 13 PHE C C 13 172.237 172.237 173.166 -0.929 19755 1055 1 3 . 1 1 13 13 PHE CA C 13 55.986 55.986 55.716 0.270 19755 1056 1 3 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.394 -0.478 19755 1057 1 3 . 1 1 13 13 PHE H H 13 8.989 8.989 8.921 0.068 19755 1058 1 3 . 1 1 14 14 TYR N N 14 121.263 121.263 121.169 0.094 19755 1059 1 3 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.568 -0.181 19755 1060 1 3 . 1 1 14 14 TYR C C 14 174.713 174.713 173.718 0.995 19755 1061 1 3 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.742 0.211 19755 1062 1 3 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.811 -1.303 19755 1063 1 3 . 1 1 14 14 TYR H H 14 8.670 8.670 8.940 -0.270 19755 1064 1 3 . 1 1 15 15 MET N N 15 124.869 124.869 125.784 -0.915 19755 1065 1 3 . 1 1 15 15 MET HA H 15 4.417 4.417 4.725 -0.308 19755 1066 1 3 . 1 1 15 15 MET C C 15 173.614 173.614 173.622 -0.008 19755 1067 1 3 . 1 1 15 15 MET CA C 15 54.305 54.305 54.635 -0.330 19755 1068 1 3 . 1 1 15 15 MET CB C 15 37.439 37.439 35.601 1.838 19755 1069 1 3 . 1 1 15 15 MET H H 15 7.927 7.927 8.307 -0.380 19755 1070 1 3 . 1 1 16 16 SER N N 16 120.626 120.626 123.136 -2.510 19755 1071 1 3 . 1 1 16 16 SER HA H 16 4.396 4.396 4.304 0.092 19755 1072 1 3 . 1 1 16 16 SER C C 16 175.508 175.508 176.007 -0.499 19755 1073 1 3 . 1 1 16 16 SER CA C 16 57.637 57.637 58.519 -0.882 19755 1074 1 3 . 1 1 16 16 SER CB C 16 65.033 65.033 63.863 1.170 19755 1075 1 3 . 1 1 16 16 SER H H 16 9.061 9.061 8.467 0.594 19755 1076 1 3 . 1 1 17 17 TYR N N 17 119.917 119.917 123.747 -3.830 19755 1077 1 3 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.271 0.089 19755 1078 1 3 . 1 1 17 17 TYR C C 17 178.684 178.684 178.083 0.601 19755 1079 1 3 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.220 1.736 19755 1080 1 3 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.439 -0.450 19755 1081 1 3 . 1 1 17 17 TYR H H 17 8.411 8.411 8.393 0.018 19755 1082 1 3 . 1 1 18 18 GLY N N 18 107.011 107.011 106.301 0.710 19755 1083 1 3 . 1 1 18 18 GLY C C 18 175.454 175.454 175.827 -0.373 19755 1084 1 3 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.340 1.106 19755 1085 1 3 . 1 1 18 18 GLY H H 18 8.534 8.534 8.687 -0.153 19755 1086 1 3 . 1 1 19 19 ASP N N 19 122.947 122.947 122.059 0.888 19755 1087 1 3 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.466 -0.074 19755 1088 1 3 . 1 1 19 19 ASP C C 19 179.020 179.020 178.397 0.623 19755 1089 1 3 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.364 0.079 19755 1090 1 3 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.069 -0.155 19755 1091 1 3 . 1 1 19 19 ASP H H 19 7.788 7.788 8.008 -0.220 19755 1092 1 3 . 1 1 20 20 ILE N N 20 119.114 119.114 120.446 -1.332 19755 1093 1 3 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.724 -0.196 19755 1094 1 3 . 1 1 20 20 ILE C C 20 177.939 177.939 177.869 0.070 19755 1095 1 3 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.844 1.466 19755 1096 1 3 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.174 0.712 19755 1097 1 3 . 1 1 20 20 ILE H H 20 7.762 7.762 7.259 0.503 19755 1098 1 3 . 1 1 21 21 GLU N N 21 119.999 119.999 119.666 0.333 19755 1099 1 3 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.124 0.458 19755 1100 1 3 . 1 1 21 21 GLU C C 21 181.888 181.888 179.008 2.880 19755 1101 1 3 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.456 -0.249 19755 1102 1 3 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.238 0.175 19755 1103 1 3 . 1 1 21 21 GLU H H 21 8.113 8.113 8.357 -0.244 19755 1104 1 3 . 1 1 22 22 ASP N N 22 122.667 122.667 119.420 3.247 19755 1105 1 3 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.400 0.074 19755 1106 1 3 . 1 1 22 22 ASP C C 22 178.184 178.184 178.293 -0.109 19755 1107 1 3 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.339 0.996 19755 1108 1 3 . 1 1 22 22 ASP CB C 22 40.867 40.867 40.944 -0.076 19755 1109 1 3 . 1 1 22 22 ASP H H 22 8.699 8.699 7.888 0.811 19755 1110 1 3 . 1 1 23 23 ARG N N 23 116.862 116.862 117.585 -0.723 19755 1111 1 3 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.084 0.260 19755 1112 1 3 . 1 1 23 23 ARG C C 23 176.101 176.101 176.653 -0.552 19755 1113 1 3 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.578 0.074 19755 1114 1 3 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.519 0.278 19755 1115 1 3 . 1 1 23 23 ARG H H 23 7.380 7.380 7.572 -0.192 19755 1116 1 3 . 1 1 24 24 GLY N N 24 106.318 106.318 105.000 1.318 19755 1117 1 3 . 1 1 24 24 GLY C C 24 174.117 174.117 174.388 -0.271 19755 1118 1 3 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.004 0.489 19755 1119 1 3 . 1 1 24 24 GLY H H 24 8.004 8.004 7.652 0.352 19755 1120 1 3 . 1 1 25 25 PHE N N 25 118.274 118.274 119.962 -1.688 19755 1121 1 3 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.794 -0.172 19755 1122 1 3 . 1 1 25 25 PHE C C 25 174.127 174.127 174.595 -0.468 19755 1123 1 3 . 1 1 25 25 PHE CA C 25 56.930 56.930 55.868 1.062 19755 1124 1 3 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.111 1.760 19755 1125 1 3 . 1 1 25 25 PHE H H 25 7.550 7.550 7.538 0.012 19755 1126 1 3 . 1 1 26 26 ASP N N 26 121.320 121.320 118.182 3.138 19755 1127 1 3 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.934 -0.040 19755 1128 1 3 . 1 1 26 26 ASP C C 26 177.370 177.370 177.185 0.185 19755 1129 1 3 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.423 0.684 19755 1130 1 3 . 1 1 26 26 ASP CB C 26 44.066 44.066 44.270 -0.204 19755 1131 1 3 . 1 1 26 26 ASP H H 26 8.891 8.891 8.472 0.419 19755 1132 1 3 . 1 1 27 27 ARG N N 27 124.100 124.100 123.047 1.053 19755 1133 1 3 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.982 -0.140 19755 1134 1 3 . 1 1 27 27 ARG C C 27 176.201 176.201 177.511 -1.310 19755 1135 1 3 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.226 0.631 19755 1136 1 3 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.189 -0.514 19755 1137 1 3 . 1 1 27 27 ARG H H 27 9.033 9.033 8.675 0.358 19755 1138 1 3 . 1 1 28 28 GLU N N 28 118.451 118.451 119.025 -0.574 19755 1139 1 3 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.397 -0.360 19755 1140 1 3 . 1 1 28 28 GLU C C 28 178.889 178.889 179.203 -0.314 19755 1141 1 3 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.193 0.062 19755 1142 1 3 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.214 0.236 19755 1143 1 3 . 1 1 28 28 GLU H H 28 8.362 8.362 8.440 -0.078 19755 1144 1 3 . 1 1 29 29 GLU N N 29 118.302 118.302 120.360 -2.058 19755 1145 1 3 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.175 -0.090 19755 1146 1 3 . 1 1 29 29 GLU C C 29 178.137 178.137 178.763 -0.626 19755 1147 1 3 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.157 -0.197 19755 1148 1 3 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.102 1.350 19755 1149 1 3 . 1 1 29 29 GLU H H 29 7.821 7.821 8.356 -0.535 19755 1150 1 3 . 1 1 30 30 ILE N N 30 115.456 115.456 118.654 -3.198 19755 1151 1 3 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.612 0.015 19755 1152 1 3 . 1 1 30 30 ILE C C 30 176.229 176.229 177.948 -1.719 19755 1153 1 3 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.316 -3.253 19755 1154 1 3 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.671 -0.731 19755 1155 1 3 . 1 1 30 30 ILE H H 30 7.363 7.363 8.220 -0.857 19755 1156 1 3 . 1 1 31 31 TRP N N 31 116.714 116.714 115.917 0.797 19755 1157 1 3 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.271 -0.121 19755 1158 1 3 . 1 1 31 31 TRP C C 31 178.092 178.092 176.548 1.544 19755 1159 1 3 . 1 1 31 31 TRP CA C 31 59.618 59.618 57.861 1.757 19755 1160 1 3 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.188 0.441 19755 1161 1 3 . 1 1 31 31 TRP H H 31 7.410 7.410 7.094 0.316 19755 1162 1 3 . 1 1 32 32 TYR N N 32 112.769 112.769 114.429 -1.660 19755 1163 1 3 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.674 0.092 19755 1164 1 3 . 1 1 32 32 TYR C C 32 175.767 175.767 175.254 0.513 19755 1165 1 3 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.645 0.987 19755 1166 1 3 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.013 1.209 19755 1167 1 3 . 1 1 32 32 TYR H H 32 7.577 7.577 7.200 0.377 19755 1168 1 3 . 1 1 33 33 ASN N N 33 120.521 120.521 119.093 1.428 19755 1169 1 3 . 1 1 33 33 ASN HA H 33 5.048 5.048 4.998 0.050 19755 1170 1 3 . 1 1 33 33 ASN C C 33 174.851 174.851 174.908 -0.057 19755 1171 1 3 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.974 -0.654 19755 1172 1 3 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.721 -0.508 19755 1173 1 3 . 1 1 33 33 ASN H H 33 8.364 8.364 7.724 0.640 19755 1174 1 3 . 1 1 34 34 ARG N N 34 126.163 126.163 126.391 -0.228 19755 1175 1 3 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.888 0.297 19755 1176 1 3 . 1 1 34 34 ARG C C 34 178.509 178.509 177.512 0.997 19755 1177 1 3 . 1 1 34 34 ARG CA C 34 58.504 58.504 60.246 -1.742 19755 1178 1 3 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.381 -0.888 19755 1179 1 3 . 1 1 34 34 ARG H H 34 8.830 8.830 8.900 -0.070 19755 1180 1 3 . 1 1 35 35 GLU N N 35 118.994 118.994 116.660 2.334 19755 1181 1 3 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.341 -0.181 19755 1182 1 3 . 1 1 35 35 GLU C C 35 179.839 179.839 178.278 1.561 19755 1183 1 3 . 1 1 35 35 GLU CA C 35 60.191 60.191 58.890 1.301 19755 1184 1 3 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.719 0.714 19755 1185 1 3 . 1 1 35 35 GLU H H 35 8.380 8.380 8.848 -0.468 19755 1186 1 3 . 1 1 36 36 ARG N N 36 119.197 119.197 117.813 1.384 19755 1187 1 3 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.043 0.357 19755 1188 1 3 . 1 1 36 36 ARG C C 36 178.217 178.217 177.969 0.248 19755 1189 1 3 . 1 1 36 36 ARG CA C 36 57.394 57.394 54.531 2.863 19755 1190 1 3 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.451 0.084 19755 1191 1 3 . 1 1 36 36 ARG H H 36 7.686 7.686 8.027 -0.341 19755 1192 1 3 . 1 1 37 37 SER N N 37 114.607 114.607 117.288 -2.681 19755 1193 1 3 . 1 1 37 37 SER HA H 37 3.899 3.899 4.140 -0.241 19755 1194 1 3 . 1 1 37 37 SER C C 37 178.298 178.298 176.247 2.051 19755 1195 1 3 . 1 1 37 37 SER CA C 37 62.455 62.455 61.602 0.853 19755 1196 1 3 . 1 1 37 37 SER CB C 37 62.542 62.542 63.058 -0.516 19755 1197 1 3 . 1 1 37 37 SER H H 37 8.282 8.282 7.810 0.472 19755 1198 1 3 . 1 1 38 38 GLU N N 38 121.063 121.063 122.335 -1.272 19755 1199 1 3 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.250 -0.494 19755 1200 1 3 . 1 1 38 38 GLU C C 38 177.182 177.182 178.701 -1.519 19755 1201 1 3 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.846 0.452 19755 1202 1 3 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.674 -0.400 19755 1203 1 3 . 1 1 38 38 GLU H H 38 7.849 7.849 8.523 -0.674 19755 1204 1 3 . 1 1 39 39 GLU N N 39 119.119 119.119 119.839 -0.720 19755 1205 1 3 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.120 0.109 19755 1206 1 3 . 1 1 39 39 GLU C C 39 179.781 179.781 178.519 1.262 19755 1207 1 3 . 1 1 39 39 GLU CA C 39 60.172 60.172 59.173 0.999 19755 1208 1 3 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.522 1.537 19755 1209 1 3 . 1 1 39 39 GLU H H 39 7.686 7.686 7.694 -0.008 19755 1210 1 3 . 1 1 40 40 LEU N N 40 120.164 120.164 121.089 -0.925 19755 1211 1 3 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.795 -0.103 19755 1212 1 3 . 1 1 40 40 LEU C C 40 177.155 177.155 178.016 -0.861 19755 1213 1 3 . 1 1 40 40 LEU CA C 40 58.264 58.264 57.630 0.634 19755 1214 1 3 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.525 -1.076 19755 1215 1 3 . 1 1 40 40 LEU H H 40 7.739 7.739 7.732 0.007 19755 1216 1 3 . 1 1 41 41 PHE N N 41 118.207 118.207 117.250 0.957 19755 1217 1 3 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.180 -0.375 19755 1218 1 3 . 1 1 41 41 PHE C C 41 176.387 176.387 177.960 -1.573 19755 1219 1 3 . 1 1 41 41 PHE CA C 41 61.364 61.364 62.042 -0.678 19755 1220 1 3 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.350 -0.281 19755 1221 1 3 . 1 1 41 41 PHE H H 41 7.825 7.825 7.220 0.605 19755 1222 1 3 . 1 1 42 42 TRP N N 42 117.448 117.448 119.290 -1.842 19755 1223 1 3 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.227 -0.103 19755 1224 1 3 . 1 1 42 42 TRP C C 42 179.071 179.071 178.838 0.233 19755 1225 1 3 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.221 -1.142 19755 1226 1 3 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.355 0.099 19755 1227 1 3 . 1 1 42 42 TRP H H 42 8.266 8.266 8.864 -0.598 19755 1228 1 3 . 1 1 43 43 GLU N N 43 120.573 120.573 118.584 1.989 19755 1229 1 3 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.109 0.050 19755 1230 1 3 . 1 1 43 43 GLU C C 43 179.556 179.556 179.228 0.328 19755 1231 1 3 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.275 0.906 19755 1232 1 3 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.197 0.305 19755 1233 1 3 . 1 1 43 43 GLU H H 43 7.918 7.918 7.878 0.040 19755 1234 1 3 . 1 1 44 44 VAL N N 44 119.502 119.502 116.980 2.522 19755 1235 1 3 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.662 -0.217 19755 1236 1 3 . 1 1 44 44 VAL C C 44 178.356 178.356 177.561 0.795 19755 1237 1 3 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.085 1.305 19755 1238 1 3 . 1 1 44 44 VAL CB C 44 31.220 31.220 30.573 0.647 19755 1239 1 3 . 1 1 44 44 VAL H H 44 7.947 7.947 7.638 0.309 19755 1240 1 3 . 1 1 45 45 MET N N 45 117.691 117.691 118.420 -0.729 19755 1241 1 3 . 1 1 45 45 MET HA H 45 4.118 4.118 4.171 -0.053 19755 1242 1 3 . 1 1 45 45 MET C C 45 179.207 179.207 178.950 0.257 19755 1243 1 3 . 1 1 45 45 MET CA C 45 56.677 56.677 57.978 -1.301 19755 1244 1 3 . 1 1 45 45 MET CB C 45 31.094 31.094 31.923 -0.829 19755 1245 1 3 . 1 1 45 45 MET H H 45 7.998 7.998 8.220 -0.222 19755 1246 1 3 . 1 1 46 46 ASP N N 46 119.109 119.109 121.447 -2.338 19755 1247 1 3 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.377 0.164 19755 1248 1 3 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.432 -0.490 19755 1249 1 3 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.808 0.620 19755 1250 1 3 . 1 1 46 46 ASP H H 46 7.773 7.773 8.190 -0.417 19755 1251 1 3 . 1 1 47 47 GLU N N 47 118.018 118.018 118.184 -0.166 19755 1252 1 3 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.189 -0.021 19755 1253 1 3 . 1 1 47 47 GLU C C 47 177.957 177.957 177.252 0.705 19755 1254 1 3 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.358 -0.380 19755 1255 1 3 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.555 0.848 19755 1256 1 3 . 1 1 47 47 GLU H H 47 7.608 7.608 8.143 -0.535 19755 1257 1 3 . 1 1 48 48 VAL N N 48 115.277 115.277 115.554 -0.277 19755 1258 1 3 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.333 -0.228 19755 1259 1 3 . 1 1 48 48 VAL CA C 48 62.377 62.377 61.653 0.724 19755 1260 1 3 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.427 1.439 19755 1261 1 3 . 1 1 48 48 VAL H H 48 7.508 7.508 7.813 -0.305 19755 1262 1 3 . 1 1 49 49 HIS N N 49 121.222 121.222 122.514 -1.292 19755 1263 1 3 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.141 0.470 19755 1264 1 3 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.555 -2.555 19755 1265 1 3 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.352 -0.823 19755 1266 1 3 . 1 1 49 49 HIS H H 49 8.099 8.099 7.899 0.200 19755 1267 1 3 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.100 0.122 19755 1268 1 3 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.194 -0.565 19755 1269 1 3 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.290 1.133 19755 1270 1 3 . 1 1 51 51 GLU N N 51 119.589 119.589 118.054 1.535 19755 1271 1 3 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.254 -0.020 19755 1272 1 3 . 1 1 51 51 GLU C C 51 176.279 176.279 178.457 -2.178 19755 1273 1 3 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.423 -0.876 19755 1274 1 3 . 1 1 51 51 GLU CB C 51 30.581 30.581 31.017 -0.436 19755 1275 1 3 . 1 1 51 51 GLU H H 51 8.121 8.121 8.218 -0.097 19755 1276 1 3 . 1 1 52 52 GLU N N 52 122.410 122.410 121.009 1.401 19755 1277 1 3 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.058 0.252 19755 1278 1 3 . 1 1 52 52 GLU C C 52 176.127 176.127 178.770 -2.643 19755 1279 1 3 . 1 1 52 52 GLU CA C 52 56.508 56.508 59.373 -2.865 19755 1280 1 3 . 1 1 52 52 GLU CB C 52 30.565 30.565 29.320 1.245 19755 1281 1 3 . 1 1 52 52 GLU H H 52 8.412 8.412 8.532 -0.120 19755 1282 1 3 . 1 1 53 53 GLU N N 53 121.407 121.407 118.614 2.793 19755 1283 1 3 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.039 0.255 19755 1284 1 3 . 1 1 53 53 GLU C C 53 176.242 176.242 178.000 -1.758 19755 1285 1 3 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.619 -2.012 19755 1286 1 3 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.528 1.911 19755 1287 1 3 . 1 1 53 53 GLU H H 53 8.361 8.361 7.973 0.388 19755 1288 1 3 . 1 1 54 54 PHE N N 54 121.128 121.128 118.077 3.051 19755 1289 1 3 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.527 0.067 19755 1290 1 3 . 1 1 54 54 PHE C C 54 176.021 176.021 176.385 -0.364 19755 1291 1 3 . 1 1 54 54 PHE CA C 54 57.554 57.554 58.267 -0.713 19755 1292 1 3 . 1 1 54 54 PHE CB C 54 40.192 40.192 39.486 0.706 19755 1293 1 3 . 1 1 54 54 PHE H H 54 8.147 8.147 7.461 0.686 19755 1294 1 3 . 1 1 55 55 ALA N N 55 126.124 126.124 120.140 5.984 19755 1295 1 3 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.615 -0.194 19755 1296 1 3 . 1 1 55 55 ALA C C 55 177.391 177.391 177.086 0.305 19755 1297 1 3 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.215 0.158 19755 1298 1 3 . 1 1 55 55 ALA CB C 55 19.512 19.512 21.138 -1.626 19755 1299 1 3 . 1 1 55 55 ALA H H 55 8.124 8.124 8.170 -0.046 19755 1300 1 3 . 1 1 56 56 VAL N N 56 119.019 119.019 122.872 -3.853 19755 1301 1 3 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.059 0.074 19755 1302 1 3 . 1 1 56 56 VAL C C 56 176.128 176.128 174.665 1.463 19755 1303 1 3 . 1 1 56 56 VAL CA C 56 62.306 62.306 63.176 -0.870 19755 1304 1 3 . 1 1 56 56 VAL CB C 56 33.274 33.274 29.648 3.626 19755 1305 1 3 . 1 1 56 56 VAL H H 56 7.958 7.958 8.068 -0.110 19755 1306 1 3 . 1 1 57 57 GLU N N 57 124.588 124.588 125.107 -0.519 19755 1307 1 3 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.533 -0.038 19755 1308 1 3 . 1 1 57 57 GLU C C 57 176.082 176.082 175.099 0.983 19755 1309 1 3 . 1 1 57 57 GLU CA C 57 56.056 56.056 55.889 0.167 19755 1310 1 3 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.937 1.366 19755 1311 1 3 . 1 1 57 57 GLU H H 57 8.413 8.413 8.505 -0.092 19755 1312 1 3 . 1 1 58 58 GLY N N 58 110.794 110.794 108.485 2.309 19755 1313 1 3 . 1 1 58 58 GLY C C 58 170.660 170.660 172.240 -1.580 19755 1314 1 3 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.621 0.236 19755 1315 1 3 . 1 1 58 58 GLY H H 58 8.040 8.040 7.937 0.103 19755 1316 1 3 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.456 -0.025 19755 1317 1 3 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.331 0.757 19755 1318 1 3 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.687 -0.213 19755 1319 1 3 . 1 1 60 60 LEU N N 60 120.609 120.609 119.940 0.669 19755 1320 1 3 . 1 1 60 60 LEU C C 60 176.392 176.392 175.113 1.279 19755 1321 1 3 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.030 -0.106 19755 1322 1 3 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.487 -0.449 19755 1323 1 3 . 1 1 60 60 LEU H H 60 8.367 8.367 7.985 0.382 19755 1324 1 3 . 1 1 61 61 TRP N N 61 124.050 124.050 125.348 -1.298 19755 1325 1 3 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.887 0.074 19755 1326 1 3 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.633 -0.500 19755 1327 1 3 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.266 -2.400 19755 1328 1 3 . 1 1 61 61 TRP H H 61 9.101 9.101 8.655 0.446 19755 1329 1 3 . 1 1 62 62 ILE N N 62 121.315 121.315 121.061 0.254 19755 1330 1 3 . 1 1 62 62 ILE C C 62 174.576 174.576 174.783 -0.207 19755 1331 1 3 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.705 0.851 19755 1332 1 3 . 1 1 62 62 ILE CB C 62 40.639 40.639 40.739 -0.100 19755 1333 1 3 . 1 1 62 62 ILE H H 62 7.863 7.863 8.303 -0.440 19755 1334 1 3 . 1 1 63 63 GLN N N 63 127.300 127.300 126.571 0.729 19755 1335 1 3 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.647 -0.113 19755 1336 1 3 . 1 1 63 63 GLN C C 63 173.768 173.768 174.224 -0.456 19755 1337 1 3 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.600 -0.191 19755 1338 1 3 . 1 1 63 63 GLN CB C 63 30.309 30.309 31.637 -1.328 19755 1339 1 3 . 1 1 63 63 GLN H H 63 8.881 8.881 9.047 -0.166 19755 1340 1 3 . 1 1 64 64 VAL N N 64 123.414 123.414 125.790 -2.376 19755 1341 1 3 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.192 0.485 19755 1342 1 3 . 1 1 64 64 VAL C C 64 174.737 174.737 175.295 -0.558 19755 1343 1 3 . 1 1 64 64 VAL CA C 64 60.965 60.965 62.628 -1.663 19755 1344 1 3 . 1 1 64 64 VAL CB C 64 34.420 34.420 32.573 1.847 19755 1345 1 3 . 1 1 64 64 VAL H H 64 8.330 8.330 8.465 -0.135 19755 1346 1 3 . 1 1 65 65 GLN N N 65 125.152 125.152 124.656 0.496 19755 1347 1 3 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.553 0.198 19755 1348 1 3 . 1 1 65 65 GLN C C 65 174.043 174.043 173.549 0.494 19755 1349 1 3 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.564 0.857 19755 1350 1 3 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.350 -0.394 19755 1351 1 3 . 1 1 65 65 GLN H H 65 8.938 8.938 8.899 0.039 19755 1352 1 3 . 1 1 66 66 ALA N N 66 127.534 127.534 123.698 3.836 19755 1353 1 3 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.777 -0.141 19755 1354 1 3 . 1 1 66 66 ALA C C 66 176.740 176.740 176.204 0.536 19755 1355 1 3 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.121 1.680 19755 1356 1 3 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.403 -1.057 19755 1357 1 3 . 1 1 66 66 ALA H H 66 8.808 8.808 8.611 0.197 19755 1358 1 3 . 1 1 67 67 LEU N N 67 124.609 124.609 122.086 2.523 19755 1359 1 3 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.766 0.019 19755 1360 1 3 . 1 1 67 67 LEU C C 67 177.190 177.190 178.278 -1.088 19755 1361 1 3 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.976 -0.391 19755 1362 1 3 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.569 -0.723 19755 1363 1 3 . 1 1 67 67 LEU H H 67 8.541 8.541 8.870 -0.329 19755 1364 1 3 . 1 1 68 68 ASP N N 68 120.713 120.713 120.801 -0.088 19755 1365 1 3 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.491 -0.061 19755 1366 1 3 . 1 1 68 68 ASP C C 68 177.319 177.319 176.906 0.413 19755 1367 1 3 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.718 1.372 19755 1368 1 3 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.124 -0.209 19755 1369 1 3 . 1 1 68 68 ASP H H 68 8.539 8.539 8.777 -0.238 19755 1370 1 3 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.423 0.179 19755 1371 1 3 . 1 1 69 69 LYS C C 69 176.282 176.282 174.342 1.940 19755 1372 1 3 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.851 0.966 19755 1373 1 3 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.533 1.030 19755 1374 1 3 . 1 1 70 70 GLY N N 70 110.325 110.325 105.870 4.455 19755 1375 1 3 . 1 1 70 70 GLY C C 70 169.572 169.572 171.367 -1.795 19755 1376 1 3 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.483 -0.118 19755 1377 1 3 . 1 1 70 70 GLY H H 70 6.977 6.977 7.131 -0.154 19755 1378 1 3 . 1 1 71 71 LEU N N 71 116.716 116.716 118.888 -2.172 19755 1379 1 3 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.115 -0.099 19755 1380 1 3 . 1 1 71 71 LEU C C 71 174.299 174.299 175.253 -0.954 19755 1381 1 3 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.389 -1.332 19755 1382 1 3 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.696 -0.804 19755 1383 1 3 . 1 1 71 71 LEU H H 71 8.032 8.032 8.536 -0.504 19755 1384 1 3 . 1 1 72 72 GLU N N 72 120.507 120.507 121.815 -1.308 19755 1385 1 3 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.155 -0.189 19755 1386 1 3 . 1 1 72 72 GLU C C 72 174.588 174.588 175.376 -0.788 19755 1387 1 3 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.672 -0.638 19755 1388 1 3 . 1 1 72 72 GLU CB C 72 33.392 33.392 32.187 1.205 19755 1389 1 3 . 1 1 72 72 GLU H H 72 8.739 8.739 8.607 0.132 19755 1390 1 3 . 1 1 73 73 ILE N N 73 127.226 127.226 122.434 4.792 19755 1391 1 3 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.587 -0.061 19755 1392 1 3 . 1 1 73 73 ILE C C 73 173.786 173.786 174.490 -0.704 19755 1393 1 3 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.749 0.679 19755 1394 1 3 . 1 1 73 73 ILE CB C 73 39.105 39.105 40.003 -0.898 19755 1395 1 3 . 1 1 73 73 ILE H H 73 8.755 8.755 8.797 -0.042 19755 1396 1 3 . 1 1 74 74 ILE N N 74 126.107 126.107 127.940 -1.833 19755 1397 1 3 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.475 0.191 19755 1398 1 3 . 1 1 74 74 ILE C C 74 175.304 175.304 175.002 0.302 19755 1399 1 3 . 1 1 74 74 ILE CA C 74 60.808 60.808 60.100 0.708 19755 1400 1 3 . 1 1 74 74 ILE CB C 74 40.432 40.432 39.321 1.111 19755 1401 1 3 . 1 1 74 74 ILE H H 74 8.691 8.691 8.762 -0.071 19755 1402 1 3 . 1 1 75 75 VAL N N 75 128.967 128.967 124.068 4.899 19755 1403 1 3 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.189 -0.584 19755 1404 1 3 . 1 1 75 75 VAL C C 75 174.187 174.187 174.943 -0.756 19755 1405 1 3 . 1 1 75 75 VAL CA C 75 61.420 61.420 60.288 1.131 19755 1406 1 3 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.050 -1.405 19755 1407 1 3 . 1 1 75 75 VAL H H 75 9.178 9.178 9.296 -0.118 19755 1408 1 3 . 1 1 76 76 THR HA H 76 5.743 5.743 5.127 0.616 19755 1409 1 3 . 1 1 76 76 THR CA C 76 59.957 59.957 59.286 0.671 19755 1410 1 3 . 1 1 76 76 THR CB C 76 71.833 71.833 71.753 0.080 19755 1411 1 3 . 1 1 77 77 LYS N N 77 124.204 124.204 122.723 1.481 19755 1412 1 3 . 1 1 77 77 LYS HA H 77 4.588 4.588 5.011 -0.423 19755 1413 1 3 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.988 0.763 19755 1414 1 3 . 1 1 77 77 LYS CB C 77 33.947 33.947 36.433 -2.486 19755 1415 1 3 . 1 1 77 77 LYS H H 77 8.688 8.688 8.523 0.165 19755 1416 1 3 . 1 1 78 78 ALA N N 78 125.102 125.102 123.105 1.997 19755 1417 1 3 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.219 -0.243 19755 1418 1 3 . 1 1 78 78 ALA C C 78 176.776 176.776 176.835 -0.059 19755 1419 1 3 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.343 0.088 19755 1420 1 3 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.460 0.082 19755 1421 1 3 . 1 1 78 78 ALA H H 78 8.137 8.137 8.510 -0.373 19755 1422 1 3 . 1 1 79 79 GLN HA H 79 4.085 4.085 2.907 1.178 19755 1423 1 3 . 1 1 79 79 GLN CA C 79 55.540 55.540 55.304 0.236 19755 1424 1 3 . 1 1 79 79 GLN CB C 79 29.617 29.617 28.690 0.927 19755 1425 1 3 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.202 0.093 19755 1426 1 3 . 1 1 80 80 LEU CA C 80 55.034 55.034 56.969 -1.935 19755 1427 1 3 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.363 -0.043 19755 1428 1 3 . 1 1 81 81 SER N N 81 116.580 116.580 112.754 3.826 19755 1429 1 3 . 1 1 81 81 SER HA H 81 4.291 4.291 4.424 -0.133 19755 1430 1 3 . 1 1 81 81 SER C C 81 174.770 174.770 174.645 0.125 19755 1431 1 3 . 1 1 81 81 SER CA C 81 58.674 58.674 57.704 0.970 19755 1432 1 3 . 1 1 81 81 SER CB C 81 63.931 63.931 61.392 2.539 19755 1433 1 3 . 1 1 81 81 SER H H 81 8.214 8.214 8.208 0.006 19755 1434 1 3 . 1 1 82 82 LYS N N 82 122.968 122.968 121.354 1.614 19755 1435 1 3 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.020 0.263 19755 1436 1 3 . 1 1 82 82 LYS C C 82 176.222 176.222 176.437 -0.215 19755 1437 1 3 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.312 -1.770 19755 1438 1 3 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.756 0.185 19755 1439 1 3 . 1 1 82 82 LYS H H 82 8.255 8.255 7.942 0.313 19755 1440 1 3 . 1 1 83 83 ASP N N 83 120.305 120.305 114.054 6.251 19755 1441 1 3 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.696 -0.150 19755 1442 1 3 . 1 1 83 83 ASP C C 83 176.527 176.527 174.277 2.250 19755 1443 1 3 . 1 1 83 83 ASP CA C 83 54.864 54.864 53.377 1.487 19755 1444 1 3 . 1 1 83 83 ASP CB C 83 41.156 41.156 43.387 -2.231 19755 1445 1 3 . 1 1 83 83 ASP H H 83 8.158 8.158 7.890 0.268 19755 1446 1 3 . 1 1 84 84 LEU N N 84 121.499 121.499 119.807 1.692 19755 1447 1 3 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.554 -0.371 19755 1448 1 3 . 1 1 84 84 LEU C C 84 177.585 177.585 177.641 -0.056 19755 1449 1 3 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.686 -0.644 19755 1450 1 3 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.954 -1.575 19755 1451 1 3 . 1 1 84 84 LEU H H 84 7.955 7.955 8.324 -0.369 19755 1452 1 3 . 1 1 85 85 ASP N N 85 119.668 119.668 122.034 -2.366 19755 1453 1 3 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.460 0.040 19755 1454 1 3 . 1 1 85 85 ASP C C 85 176.445 176.445 177.618 -1.173 19755 1455 1 3 . 1 1 85 85 ASP CA C 85 55.143 55.143 56.166 -1.023 19755 1456 1 3 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.181 -0.065 19755 1457 1 3 . 1 1 85 85 ASP H H 85 8.207 8.207 8.232 -0.025 19755 1458 1 3 . 1 1 86 86 LYS N N 86 119.760 119.760 121.165 -1.405 19755 1459 1 3 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.479 -0.226 19755 1460 1 3 . 1 1 86 86 LYS C C 86 176.336 176.336 175.973 0.363 19755 1461 1 3 . 1 1 86 86 LYS CA C 86 56.519 56.519 54.727 1.792 19755 1462 1 3 . 1 1 86 86 LYS CB C 86 33.072 33.072 31.235 1.837 19755 1463 1 3 . 1 1 86 86 LYS H H 86 7.843 7.843 8.634 -0.791 19755 1464 1 3 . 1 1 87 87 LEU N N 87 122.086 122.086 119.930 2.156 19755 1465 1 3 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.347 -0.038 19755 1466 1 3 . 1 1 87 87 LEU C C 87 176.952 176.952 176.407 0.545 19755 1467 1 3 . 1 1 87 87 LEU CA C 87 55.369 55.369 56.219 -0.850 19755 1468 1 3 . 1 1 87 87 LEU CB C 87 42.407 42.407 41.889 0.518 19755 1469 1 3 . 1 1 87 87 LEU H H 87 8.008 8.008 7.536 0.472 19755 1470 1 3 . 1 1 88 88 VAL N N 88 122.409 122.409 118.170 4.239 19755 1471 1 3 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.642 -0.268 19755 1472 1 3 . 1 1 88 88 VAL C C 88 174.225 174.225 173.922 0.303 19755 1473 1 3 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.584 0.409 19755 1474 1 3 . 1 1 88 88 VAL CB C 88 32.946 32.946 31.210 1.736 19755 1475 1 3 . 1 1 88 88 VAL H H 88 7.919 7.919 8.132 -0.213 19755 1476 1 3 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.542 -0.172 19755 1477 1 3 . 1 1 89 89 PRO C C 89 176.035 176.035 176.821 -0.786 19755 1478 1 3 . 1 1 89 89 PRO CA C 89 63.592 63.592 62.972 0.620 19755 1479 1 3 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.151 0.067 19755 1480 1 4 . 1 1 2 2 GLU N N 2 123.952 123.952 121.416 2.536 19755 1481 1 4 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.829 -0.148 19755 1482 1 4 . 1 1 2 2 GLU C C 2 174.704 174.704 175.276 -0.572 19755 1483 1 4 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.636 0.230 19755 1484 1 4 . 1 1 2 2 GLU CB C 2 32.406 32.406 30.491 1.915 19755 1485 1 4 . 1 1 2 2 GLU H H 2 8.571 8.571 8.883 -0.312 19755 1486 1 4 . 1 1 3 3 ILE N N 3 121.558 121.558 123.838 -2.280 19755 1487 1 4 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.475 0.237 19755 1488 1 4 . 1 1 3 3 ILE C C 3 174.736 174.736 176.400 -1.664 19755 1489 1 4 . 1 1 3 3 ILE CA C 3 60.277 60.277 61.323 -1.046 19755 1490 1 4 . 1 1 3 3 ILE CB C 3 40.861 40.861 39.126 1.735 19755 1491 1 4 . 1 1 3 3 ILE H H 3 8.565 8.565 8.414 0.151 19755 1492 1 4 . 1 1 4 4 GLU N N 4 126.319 126.319 126.254 0.065 19755 1493 1 4 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.697 -0.136 19755 1494 1 4 . 1 1 4 4 GLU C C 4 174.708 174.708 174.697 0.011 19755 1495 1 4 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.730 0.498 19755 1496 1 4 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.315 -0.306 19755 1497 1 4 . 1 1 4 4 GLU H H 4 9.153 9.153 9.018 0.135 19755 1498 1 4 . 1 1 5 5 ARG N N 5 127.727 127.727 125.129 2.598 19755 1499 1 4 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.634 -0.074 19755 1500 1 4 . 1 1 5 5 ARG C C 5 175.807 175.807 176.316 -0.509 19755 1501 1 4 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.779 0.344 19755 1502 1 4 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.974 -0.322 19755 1503 1 4 . 1 1 5 5 ARG H H 5 9.002 9.002 8.797 0.205 19755 1504 1 4 . 1 1 6 6 ILE N N 6 129.149 129.149 126.212 2.937 19755 1505 1 4 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.822 0.082 19755 1506 1 4 . 1 1 6 6 ILE C C 6 176.468 176.468 176.517 -0.049 19755 1507 1 4 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.948 0.023 19755 1508 1 4 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.760 0.402 19755 1509 1 4 . 1 1 6 6 ILE H H 6 8.030 8.030 8.472 -0.442 19755 1510 1 4 . 1 1 7 7 ASN N N 7 112.808 112.808 115.592 -2.784 19755 1511 1 4 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.801 -0.242 19755 1512 1 4 . 1 1 7 7 ASN C C 7 175.254 175.254 173.669 1.585 19755 1513 1 4 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.937 0.916 19755 1514 1 4 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.200 -0.925 19755 1515 1 4 . 1 1 7 7 ASN H H 7 8.147 8.147 7.766 0.381 19755 1516 1 4 . 1 1 8 8 GLU N N 8 121.087 121.087 117.252 3.835 19755 1517 1 4 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.015 0.035 19755 1518 1 4 . 1 1 8 8 GLU C C 8 176.486 176.486 175.972 0.514 19755 1519 1 4 . 1 1 8 8 GLU CA C 8 59.802 59.802 57.632 2.170 19755 1520 1 4 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.468 -0.017 19755 1521 1 4 . 1 1 8 8 GLU H H 8 8.770 8.770 8.533 0.237 19755 1522 1 4 . 1 1 9 9 HIS N N 9 113.719 113.719 115.222 -1.503 19755 1523 1 4 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.841 0.124 19755 1524 1 4 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.328 -0.523 19755 1525 1 4 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.647 0.337 19755 1526 1 4 . 1 1 9 9 HIS H H 9 7.921 7.921 8.362 -0.441 19755 1527 1 4 . 1 1 10 10 THR N N 10 116.218 116.218 117.895 -1.677 19755 1528 1 4 . 1 1 10 10 THR HA H 10 5.736 5.736 5.061 0.675 19755 1529 1 4 . 1 1 10 10 THR C C 10 173.396 173.396 173.660 -0.264 19755 1530 1 4 . 1 1 10 10 THR CA C 10 62.820 62.820 63.564 -0.744 19755 1531 1 4 . 1 1 10 10 THR CB C 10 71.465 71.465 69.653 1.812 19755 1532 1 4 . 1 1 10 10 THR H H 10 7.349 7.349 8.879 -1.530 19755 1533 1 4 . 1 1 11 11 VAL N N 11 124.880 124.880 119.829 5.051 19755 1534 1 4 . 1 1 11 11 VAL HA H 11 4.857 4.857 4.811 0.046 19755 1535 1 4 . 1 1 11 11 VAL C C 11 172.156 172.156 173.527 -1.371 19755 1536 1 4 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.170 0.706 19755 1537 1 4 . 1 1 11 11 VAL CB C 11 35.986 35.986 34.900 1.086 19755 1538 1 4 . 1 1 11 11 VAL H H 11 9.043 9.043 9.167 -0.124 19755 1539 1 4 . 1 1 12 12 LYS N N 12 124.164 124.164 119.414 4.750 19755 1540 1 4 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.502 0.082 19755 1541 1 4 . 1 1 12 12 LYS C C 12 173.380 173.380 174.943 -1.563 19755 1542 1 4 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.630 -0.425 19755 1543 1 4 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.885 0.572 19755 1544 1 4 . 1 1 12 12 LYS H H 12 8.884 8.884 8.180 0.704 19755 1545 1 4 . 1 1 13 13 PHE N N 13 124.228 124.228 114.029 10.199 19755 1546 1 4 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.498 -0.170 19755 1547 1 4 . 1 1 13 13 PHE C C 13 172.237 172.237 172.854 -0.617 19755 1548 1 4 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.011 -0.026 19755 1549 1 4 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.076 -0.160 19755 1550 1 4 . 1 1 13 13 PHE H H 13 8.989 8.989 8.978 0.011 19755 1551 1 4 . 1 1 14 14 TYR N N 14 121.263 121.263 121.415 -0.152 19755 1552 1 4 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.448 -0.061 19755 1553 1 4 . 1 1 14 14 TYR C C 14 174.713 174.713 173.622 1.091 19755 1554 1 4 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.729 0.224 19755 1555 1 4 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.429 -0.921 19755 1556 1 4 . 1 1 14 14 TYR H H 14 8.670 8.670 8.891 -0.221 19755 1557 1 4 . 1 1 15 15 MET N N 15 124.869 124.869 126.698 -1.829 19755 1558 1 4 . 1 1 15 15 MET HA H 15 4.417 4.417 4.717 -0.300 19755 1559 1 4 . 1 1 15 15 MET C C 15 173.614 173.614 173.667 -0.053 19755 1560 1 4 . 1 1 15 15 MET CA C 15 54.305 54.305 54.213 0.092 19755 1561 1 4 . 1 1 15 15 MET CB C 15 37.439 37.439 35.815 1.624 19755 1562 1 4 . 1 1 15 15 MET H H 15 7.927 7.927 8.659 -0.732 19755 1563 1 4 . 1 1 16 16 SER N N 16 120.626 120.626 123.129 -2.503 19755 1564 1 4 . 1 1 16 16 SER HA H 16 4.396 4.396 4.240 0.156 19755 1565 1 4 . 1 1 16 16 SER C C 16 175.508 175.508 175.970 -0.462 19755 1566 1 4 . 1 1 16 16 SER CA C 16 57.637 57.637 58.485 -0.848 19755 1567 1 4 . 1 1 16 16 SER CB C 16 65.033 65.033 63.822 1.212 19755 1568 1 4 . 1 1 16 16 SER H H 16 9.061 9.061 8.458 0.603 19755 1569 1 4 . 1 1 17 17 TYR N N 17 119.917 119.917 123.875 -3.958 19755 1570 1 4 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.187 0.173 19755 1571 1 4 . 1 1 17 17 TYR C C 17 178.684 178.684 178.077 0.607 19755 1572 1 4 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.069 1.887 19755 1573 1 4 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.412 -0.423 19755 1574 1 4 . 1 1 17 17 TYR H H 17 8.411 8.411 8.530 -0.119 19755 1575 1 4 . 1 1 18 18 GLY N N 18 107.011 107.011 105.854 1.157 19755 1576 1 4 . 1 1 18 18 GLY C C 18 175.454 175.454 175.882 -0.428 19755 1577 1 4 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.477 0.969 19755 1578 1 4 . 1 1 18 18 GLY H H 18 8.534 8.534 8.766 -0.232 19755 1579 1 4 . 1 1 19 19 ASP N N 19 122.947 122.947 121.995 0.952 19755 1580 1 4 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.477 -0.085 19755 1581 1 4 . 1 1 19 19 ASP C C 19 179.020 179.020 178.264 0.756 19755 1582 1 4 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.208 0.235 19755 1583 1 4 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.052 -0.138 19755 1584 1 4 . 1 1 19 19 ASP H H 19 7.788 7.788 7.865 -0.077 19755 1585 1 4 . 1 1 20 20 ILE N N 20 119.114 119.114 120.410 -1.296 19755 1586 1 4 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.677 -0.149 19755 1587 1 4 . 1 1 20 20 ILE C C 20 177.939 177.939 177.829 0.110 19755 1588 1 4 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.743 1.567 19755 1589 1 4 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.166 0.721 19755 1590 1 4 . 1 1 20 20 ILE H H 20 7.762 7.762 7.392 0.370 19755 1591 1 4 . 1 1 21 21 GLU N N 21 119.999 119.999 119.998 0.001 19755 1592 1 4 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.169 0.413 19755 1593 1 4 . 1 1 21 21 GLU C C 21 181.888 181.888 179.140 2.748 19755 1594 1 4 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.551 -0.344 19755 1595 1 4 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.251 0.163 19755 1596 1 4 . 1 1 21 21 GLU H H 21 8.113 8.113 8.489 -0.376 19755 1597 1 4 . 1 1 22 22 ASP N N 22 122.667 122.667 119.560 3.107 19755 1598 1 4 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.470 0.004 19755 1599 1 4 . 1 1 22 22 ASP C C 22 178.184 178.184 178.401 -0.217 19755 1600 1 4 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.412 0.923 19755 1601 1 4 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.005 -0.138 19755 1602 1 4 . 1 1 22 22 ASP H H 22 8.699 8.699 8.008 0.691 19755 1603 1 4 . 1 1 23 23 ARG N N 23 116.862 116.862 117.345 -0.483 19755 1604 1 4 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.372 -0.028 19755 1605 1 4 . 1 1 23 23 ARG C C 23 176.101 176.101 177.242 -1.141 19755 1606 1 4 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.684 -0.032 19755 1607 1 4 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.668 0.130 19755 1608 1 4 . 1 1 23 23 ARG H H 23 7.380 7.380 7.736 -0.356 19755 1609 1 4 . 1 1 24 24 GLY N N 24 106.318 106.318 105.904 0.414 19755 1610 1 4 . 1 1 24 24 GLY C C 24 174.117 174.117 174.785 -0.668 19755 1611 1 4 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.453 0.040 19755 1612 1 4 . 1 1 24 24 GLY H H 24 8.004 8.004 7.890 0.114 19755 1613 1 4 . 1 1 25 25 PHE N N 25 118.274 118.274 120.564 -2.290 19755 1614 1 4 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.575 0.047 19755 1615 1 4 . 1 1 25 25 PHE C C 25 174.127 174.127 174.347 -0.220 19755 1616 1 4 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.046 -0.116 19755 1617 1 4 . 1 1 25 25 PHE CB C 25 41.871 41.871 39.867 2.004 19755 1618 1 4 . 1 1 25 25 PHE H H 25 7.550 7.550 8.156 -0.606 19755 1619 1 4 . 1 1 26 26 ASP N N 26 121.320 121.320 117.527 3.793 19755 1620 1 4 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.903 -0.009 19755 1621 1 4 . 1 1 26 26 ASP C C 26 177.370 177.370 177.252 0.118 19755 1622 1 4 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.510 0.597 19755 1623 1 4 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.663 0.403 19755 1624 1 4 . 1 1 26 26 ASP H H 26 8.891 8.891 8.396 0.495 19755 1625 1 4 . 1 1 27 27 ARG N N 27 124.100 124.100 124.194 -0.094 19755 1626 1 4 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.723 0.119 19755 1627 1 4 . 1 1 27 27 ARG C C 27 176.201 176.201 177.673 -1.472 19755 1628 1 4 . 1 1 27 27 ARG CA C 27 59.857 59.857 58.946 0.911 19755 1629 1 4 . 1 1 27 27 ARG CB C 27 29.675 29.675 29.925 -0.250 19755 1630 1 4 . 1 1 27 27 ARG H H 27 9.033 9.033 8.663 0.370 19755 1631 1 4 . 1 1 28 28 GLU N N 28 118.451 118.451 118.806 -0.355 19755 1632 1 4 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.157 -0.120 19755 1633 1 4 . 1 1 28 28 GLU C C 28 178.889 178.889 178.716 0.173 19755 1634 1 4 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.152 0.103 19755 1635 1 4 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.731 -0.281 19755 1636 1 4 . 1 1 28 28 GLU H H 28 8.362 8.362 8.366 -0.004 19755 1637 1 4 . 1 1 29 29 GLU N N 29 118.302 118.302 120.185 -1.883 19755 1638 1 4 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.165 -0.080 19755 1639 1 4 . 1 1 29 29 GLU C C 29 178.137 178.137 179.050 -0.913 19755 1640 1 4 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.230 -0.270 19755 1641 1 4 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.183 1.269 19755 1642 1 4 . 1 1 29 29 GLU H H 29 7.821 7.821 7.845 -0.024 19755 1643 1 4 . 1 1 30 30 ILE N N 30 115.456 115.456 117.914 -2.458 19755 1644 1 4 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.903 -0.276 19755 1645 1 4 . 1 1 30 30 ILE C C 30 176.229 176.229 178.510 -2.281 19755 1646 1 4 . 1 1 30 30 ILE CA C 30 62.063 62.063 64.948 -2.885 19755 1647 1 4 . 1 1 30 30 ILE CB C 30 35.940 35.940 37.089 -1.149 19755 1648 1 4 . 1 1 30 30 ILE H H 30 7.363 7.363 8.246 -0.883 19755 1649 1 4 . 1 1 31 31 TRP N N 31 116.714 116.714 118.240 -1.526 19755 1650 1 4 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.274 -0.124 19755 1651 1 4 . 1 1 31 31 TRP C C 31 178.092 178.092 177.210 0.882 19755 1652 1 4 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.147 1.471 19755 1653 1 4 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.207 0.421 19755 1654 1 4 . 1 1 31 31 TRP H H 31 7.410 7.410 7.058 0.352 19755 1655 1 4 . 1 1 32 32 TYR N N 32 112.769 112.769 113.161 -0.392 19755 1656 1 4 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.760 0.006 19755 1657 1 4 . 1 1 32 32 TYR C C 32 175.767 175.767 175.164 0.603 19755 1658 1 4 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.372 1.260 19755 1659 1 4 . 1 1 32 32 TYR CB C 32 40.222 40.222 38.921 1.301 19755 1660 1 4 . 1 1 32 32 TYR H H 32 7.577 7.577 7.381 0.196 19755 1661 1 4 . 1 1 33 33 ASN N N 33 120.521 120.521 119.624 0.897 19755 1662 1 4 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.090 -0.042 19755 1663 1 4 . 1 1 33 33 ASN C C 33 174.851 174.851 174.699 0.152 19755 1664 1 4 . 1 1 33 33 ASN CA C 33 52.320 52.320 53.046 -0.726 19755 1665 1 4 . 1 1 33 33 ASN CB C 33 39.213 39.213 40.028 -0.815 19755 1666 1 4 . 1 1 33 33 ASN H H 33 8.364 8.364 8.005 0.359 19755 1667 1 4 . 1 1 34 34 ARG N N 34 126.163 126.163 125.859 0.304 19755 1668 1 4 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.987 0.198 19755 1669 1 4 . 1 1 34 34 ARG C C 34 178.509 178.509 177.235 1.274 19755 1670 1 4 . 1 1 34 34 ARG CA C 34 58.504 58.504 59.439 -0.935 19755 1671 1 4 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.616 -1.123 19755 1672 1 4 . 1 1 34 34 ARG H H 34 8.830 8.830 9.067 -0.237 19755 1673 1 4 . 1 1 35 35 GLU N N 35 118.994 118.994 115.571 3.423 19755 1674 1 4 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.393 -0.233 19755 1675 1 4 . 1 1 35 35 GLU C C 35 179.839 179.839 177.957 1.882 19755 1676 1 4 . 1 1 35 35 GLU CA C 35 60.191 60.191 58.170 2.021 19755 1677 1 4 . 1 1 35 35 GLU CB C 35 29.433 29.433 29.013 0.420 19755 1678 1 4 . 1 1 35 35 GLU H H 35 8.380 8.380 8.658 -0.278 19755 1679 1 4 . 1 1 36 36 ARG N N 36 119.197 119.197 120.590 -1.393 19755 1680 1 4 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.587 -0.187 19755 1681 1 4 . 1 1 36 36 ARG C C 36 178.217 178.217 178.713 -0.496 19755 1682 1 4 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.576 0.818 19755 1683 1 4 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.957 -0.422 19755 1684 1 4 . 1 1 36 36 ARG H H 36 7.686 7.686 7.765 -0.079 19755 1685 1 4 . 1 1 37 37 SER N N 37 114.607 114.607 115.679 -1.072 19755 1686 1 4 . 1 1 37 37 SER HA H 37 3.899 3.899 4.247 -0.348 19755 1687 1 4 . 1 1 37 37 SER C C 37 178.298 178.298 176.292 2.006 19755 1688 1 4 . 1 1 37 37 SER CA C 37 62.455 62.455 61.768 0.687 19755 1689 1 4 . 1 1 37 37 SER CB C 37 62.542 62.542 63.006 -0.464 19755 1690 1 4 . 1 1 37 37 SER H H 37 8.282 8.282 8.579 -0.297 19755 1691 1 4 . 1 1 38 38 GLU N N 38 121.063 121.063 122.638 -1.575 19755 1692 1 4 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.267 -0.511 19755 1693 1 4 . 1 1 38 38 GLU C C 38 177.182 177.182 178.833 -1.651 19755 1694 1 4 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.481 0.817 19755 1695 1 4 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.541 -0.267 19755 1696 1 4 . 1 1 38 38 GLU H H 38 7.849 7.849 8.588 -0.739 19755 1697 1 4 . 1 1 39 39 GLU N N 39 119.119 119.119 119.182 -0.063 19755 1698 1 4 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.240 -0.011 19755 1699 1 4 . 1 1 39 39 GLU C C 39 179.781 179.781 179.052 0.729 19755 1700 1 4 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.883 1.289 19755 1701 1 4 . 1 1 39 39 GLU CB C 39 30.059 30.059 29.005 1.054 19755 1702 1 4 . 1 1 39 39 GLU H H 39 7.686 7.686 8.037 -0.351 19755 1703 1 4 . 1 1 40 40 LEU N N 40 120.164 120.164 120.414 -0.250 19755 1704 1 4 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.715 -0.023 19755 1705 1 4 . 1 1 40 40 LEU C C 40 177.155 177.155 177.879 -0.724 19755 1706 1 4 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.317 -0.053 19755 1707 1 4 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.434 -0.986 19755 1708 1 4 . 1 1 40 40 LEU H H 40 7.739 7.739 7.825 -0.086 19755 1709 1 4 . 1 1 41 41 PHE N N 41 118.207 118.207 117.199 1.008 19755 1710 1 4 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.145 -0.340 19755 1711 1 4 . 1 1 41 41 PHE C C 41 176.387 176.387 177.716 -1.329 19755 1712 1 4 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.773 -0.409 19755 1713 1 4 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.106 -0.037 19755 1714 1 4 . 1 1 41 41 PHE H H 41 7.825 7.825 7.427 0.398 19755 1715 1 4 . 1 1 42 42 TRP N N 42 117.448 117.448 118.590 -1.142 19755 1716 1 4 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.222 -0.098 19755 1717 1 4 . 1 1 42 42 TRP C C 42 179.071 179.071 178.444 0.627 19755 1718 1 4 . 1 1 42 42 TRP CA C 42 60.079 60.079 60.683 -0.604 19755 1719 1 4 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.269 0.185 19755 1720 1 4 . 1 1 42 42 TRP H H 42 8.266 8.266 8.777 -0.511 19755 1721 1 4 . 1 1 43 43 GLU N N 43 120.573 120.573 119.880 0.693 19755 1722 1 4 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.102 0.057 19755 1723 1 4 . 1 1 43 43 GLU C C 43 179.556 179.556 178.778 0.778 19755 1724 1 4 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.144 1.037 19755 1725 1 4 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.100 0.402 19755 1726 1 4 . 1 1 43 43 GLU H H 43 7.918 7.918 7.665 0.253 19755 1727 1 4 . 1 1 44 44 VAL N N 44 119.502 119.502 120.008 -0.506 19755 1728 1 4 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.467 -0.022 19755 1729 1 4 . 1 1 44 44 VAL C C 44 178.356 178.356 177.409 0.947 19755 1730 1 4 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.938 0.452 19755 1731 1 4 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.249 -0.029 19755 1732 1 4 . 1 1 44 44 VAL H H 44 7.947 7.947 7.805 0.142 19755 1733 1 4 . 1 1 45 45 MET N N 45 117.691 117.691 118.702 -1.011 19755 1734 1 4 . 1 1 45 45 MET HA H 45 4.118 4.118 4.127 -0.009 19755 1735 1 4 . 1 1 45 45 MET C C 45 179.207 179.207 177.846 1.361 19755 1736 1 4 . 1 1 45 45 MET CA C 45 56.677 56.677 57.212 -0.535 19755 1737 1 4 . 1 1 45 45 MET CB C 45 31.094 31.094 31.780 -0.686 19755 1738 1 4 . 1 1 45 45 MET H H 45 7.998 7.998 8.474 -0.476 19755 1739 1 4 . 1 1 46 46 ASP N N 46 119.109 119.109 119.087 0.022 19755 1740 1 4 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.281 0.260 19755 1741 1 4 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.588 -0.646 19755 1742 1 4 . 1 1 46 46 ASP CB C 46 41.428 41.428 41.009 0.419 19755 1743 1 4 . 1 1 46 46 ASP H H 46 7.773 7.773 7.771 0.002 19755 1744 1 4 . 1 1 47 47 GLU N N 47 118.018 118.018 118.490 -0.472 19755 1745 1 4 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.101 0.067 19755 1746 1 4 . 1 1 47 47 GLU C C 47 177.957 177.957 178.245 -0.288 19755 1747 1 4 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.814 -0.837 19755 1748 1 4 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.421 0.982 19755 1749 1 4 . 1 1 47 47 GLU H H 47 7.608 7.608 7.757 -0.149 19755 1750 1 4 . 1 1 48 48 VAL N N 48 115.277 115.277 117.320 -2.043 19755 1751 1 4 . 1 1 48 48 VAL HA H 48 4.105 4.105 3.909 0.196 19755 1752 1 4 . 1 1 48 48 VAL CA C 48 62.377 62.377 64.039 -1.662 19755 1753 1 4 . 1 1 48 48 VAL CB C 48 33.866 33.866 31.405 2.461 19755 1754 1 4 . 1 1 48 48 VAL H H 48 7.508 7.508 7.101 0.407 19755 1755 1 4 . 1 1 49 49 HIS N N 49 121.222 121.222 121.437 -0.215 19755 1756 1 4 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.157 0.454 19755 1757 1 4 . 1 1 49 49 HIS CA C 49 58.000 58.000 59.810 -1.810 19755 1758 1 4 . 1 1 49 49 HIS CB C 49 29.529 29.529 29.828 -0.299 19755 1759 1 4 . 1 1 49 49 HIS H H 49 8.099 8.099 8.086 0.013 19755 1760 1 4 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.273 -0.051 19755 1761 1 4 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.446 -0.816 19755 1762 1 4 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.422 1.001 19755 1763 1 4 . 1 1 51 51 GLU N N 51 119.589 119.589 115.745 3.844 19755 1764 1 4 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.391 -0.157 19755 1765 1 4 . 1 1 51 51 GLU C C 51 176.279 176.279 176.177 0.102 19755 1766 1 4 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.320 -0.773 19755 1767 1 4 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.041 0.540 19755 1768 1 4 . 1 1 51 51 GLU H H 51 8.121 8.121 8.095 0.026 19755 1769 1 4 . 1 1 52 52 GLU N N 52 122.410 122.410 116.428 5.982 19755 1770 1 4 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.133 0.177 19755 1771 1 4 . 1 1 52 52 GLU C C 52 176.127 176.127 176.537 -0.410 19755 1772 1 4 . 1 1 52 52 GLU CA C 52 56.508 56.508 56.302 0.206 19755 1773 1 4 . 1 1 52 52 GLU CB C 52 30.565 30.565 31.727 -1.162 19755 1774 1 4 . 1 1 52 52 GLU H H 52 8.412 8.412 7.693 0.719 19755 1775 1 4 . 1 1 53 53 GLU N N 53 121.407 121.407 120.073 1.334 19755 1776 1 4 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.886 0.408 19755 1777 1 4 . 1 1 53 53 GLU C C 53 176.242 176.242 177.109 -0.867 19755 1778 1 4 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.724 -2.117 19755 1779 1 4 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.858 1.581 19755 1780 1 4 . 1 1 53 53 GLU H H 53 8.361 8.361 7.885 0.476 19755 1781 1 4 . 1 1 54 54 PHE N N 54 121.128 121.128 111.827 9.301 19755 1782 1 4 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.954 -0.360 19755 1783 1 4 . 1 1 54 54 PHE C C 54 176.021 176.021 174.231 1.790 19755 1784 1 4 . 1 1 54 54 PHE CA C 54 57.554 57.554 55.880 1.675 19755 1785 1 4 . 1 1 54 54 PHE CB C 54 40.192 40.192 38.589 1.603 19755 1786 1 4 . 1 1 54 54 PHE H H 54 8.147 8.147 6.958 1.189 19755 1787 1 4 . 1 1 55 55 ALA N N 55 126.124 126.124 122.840 3.284 19755 1788 1 4 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.630 -0.209 19755 1789 1 4 . 1 1 55 55 ALA C C 55 177.391 177.391 177.987 -0.596 19755 1790 1 4 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.601 -0.228 19755 1791 1 4 . 1 1 55 55 ALA CB C 55 19.512 19.512 20.340 -0.828 19755 1792 1 4 . 1 1 55 55 ALA H H 55 8.124 8.124 8.140 -0.016 19755 1793 1 4 . 1 1 56 56 VAL N N 56 119.019 119.019 116.794 2.225 19755 1794 1 4 . 1 1 56 56 VAL HA H 56 4.133 4.133 3.826 0.307 19755 1795 1 4 . 1 1 56 56 VAL C C 56 176.128 176.128 176.592 -0.464 19755 1796 1 4 . 1 1 56 56 VAL CA C 56 62.306 62.306 64.270 -1.964 19755 1797 1 4 . 1 1 56 56 VAL CB C 56 33.274 33.274 31.594 1.680 19755 1798 1 4 . 1 1 56 56 VAL H H 56 7.958 7.958 8.020 -0.062 19755 1799 1 4 . 1 1 57 57 GLU N N 57 124.588 124.588 118.125 6.463 19755 1800 1 4 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.145 0.350 19755 1801 1 4 . 1 1 57 57 GLU C C 57 176.082 176.082 177.109 -1.027 19755 1802 1 4 . 1 1 57 57 GLU CA C 57 56.056 56.056 57.368 -1.312 19755 1803 1 4 . 1 1 57 57 GLU CB C 57 31.303 31.303 28.890 2.413 19755 1804 1 4 . 1 1 57 57 GLU H H 57 8.413 8.413 8.250 0.163 19755 1805 1 4 . 1 1 58 58 GLY N N 58 110.794 110.794 110.255 0.539 19755 1806 1 4 . 1 1 58 58 GLY C C 58 170.660 170.660 172.973 -2.313 19755 1807 1 4 . 1 1 58 58 GLY CA C 58 44.857 44.857 43.574 1.283 19755 1808 1 4 . 1 1 58 58 GLY H H 58 8.040 8.040 7.812 0.228 19755 1809 1 4 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.362 0.069 19755 1810 1 4 . 1 1 59 59 PRO CA C 59 63.088 63.088 63.007 0.082 19755 1811 1 4 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.935 -0.461 19755 1812 1 4 . 1 1 60 60 LEU N N 60 120.609 120.609 118.904 1.705 19755 1813 1 4 . 1 1 60 60 LEU C C 60 176.392 176.392 175.211 1.181 19755 1814 1 4 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.301 -0.377 19755 1815 1 4 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.261 -0.223 19755 1816 1 4 . 1 1 60 60 LEU H H 60 8.367 8.367 7.894 0.473 19755 1817 1 4 . 1 1 61 61 TRP N N 61 124.050 124.050 122.897 1.153 19755 1818 1 4 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.866 0.095 19755 1819 1 4 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.896 -0.763 19755 1820 1 4 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.275 -2.409 19755 1821 1 4 . 1 1 61 61 TRP H H 61 9.101 9.101 8.254 0.847 19755 1822 1 4 . 1 1 62 62 ILE N N 62 121.315 121.315 120.869 0.446 19755 1823 1 4 . 1 1 62 62 ILE C C 62 174.576 174.576 174.614 -0.038 19755 1824 1 4 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.365 1.191 19755 1825 1 4 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.509 -0.870 19755 1826 1 4 . 1 1 62 62 ILE H H 62 7.863 7.863 8.521 -0.658 19755 1827 1 4 . 1 1 63 63 GLN N N 63 127.300 127.300 124.425 2.875 19755 1828 1 4 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.867 -0.333 19755 1829 1 4 . 1 1 63 63 GLN C C 63 173.768 173.768 173.449 0.319 19755 1830 1 4 . 1 1 63 63 GLN CA C 63 54.409 54.409 55.117 -0.708 19755 1831 1 4 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.143 -2.834 19755 1832 1 4 . 1 1 63 63 GLN H H 63 8.881 8.881 9.011 -0.130 19755 1833 1 4 . 1 1 64 64 VAL N N 64 123.414 123.414 121.848 1.566 19755 1834 1 4 . 1 1 64 64 VAL HA H 64 4.677 4.677 5.074 -0.397 19755 1835 1 4 . 1 1 64 64 VAL C C 64 174.737 174.737 173.745 0.992 19755 1836 1 4 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.689 0.276 19755 1837 1 4 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.627 -1.207 19755 1838 1 4 . 1 1 64 64 VAL H H 64 8.330 8.330 8.453 -0.123 19755 1839 1 4 . 1 1 65 65 GLN N N 65 125.152 125.152 124.191 0.961 19755 1840 1 4 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.754 -0.003 19755 1841 1 4 . 1 1 65 65 GLN C C 65 174.043 174.043 173.842 0.201 19755 1842 1 4 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.770 0.651 19755 1843 1 4 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.466 -0.510 19755 1844 1 4 . 1 1 65 65 GLN H H 65 8.938 8.938 9.046 -0.108 19755 1845 1 4 . 1 1 66 66 ALA N N 66 127.534 127.534 124.285 3.249 19755 1846 1 4 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.875 -0.239 19755 1847 1 4 . 1 1 66 66 ALA C C 66 176.740 176.740 176.572 0.168 19755 1848 1 4 . 1 1 66 66 ALA CA C 66 52.801 52.801 52.037 0.764 19755 1849 1 4 . 1 1 66 66 ALA CB C 66 19.346 19.346 19.920 -0.574 19755 1850 1 4 . 1 1 66 66 ALA H H 66 8.808 8.808 8.725 0.083 19755 1851 1 4 . 1 1 67 67 LEU N N 67 124.609 124.609 122.156 2.453 19755 1852 1 4 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.747 0.038 19755 1853 1 4 . 1 1 67 67 LEU C C 67 177.190 177.190 178.245 -1.055 19755 1854 1 4 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.865 -0.280 19755 1855 1 4 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.520 -0.674 19755 1856 1 4 . 1 1 67 67 LEU H H 67 8.541 8.541 8.799 -0.258 19755 1857 1 4 . 1 1 68 68 ASP N N 68 120.713 120.713 119.903 0.810 19755 1858 1 4 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.476 -0.046 19755 1859 1 4 . 1 1 68 68 ASP C C 68 177.319 177.319 176.263 1.056 19755 1860 1 4 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.504 1.586 19755 1861 1 4 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.214 -0.298 19755 1862 1 4 . 1 1 68 68 ASP H H 68 8.539 8.539 8.775 -0.236 19755 1863 1 4 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.168 0.434 19755 1864 1 4 . 1 1 69 69 LYS C C 69 176.282 176.282 174.215 2.067 19755 1865 1 4 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.733 1.084 19755 1866 1 4 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.322 1.241 19755 1867 1 4 . 1 1 70 70 GLY N N 70 110.325 110.325 106.094 4.231 19755 1868 1 4 . 1 1 70 70 GLY C C 70 169.572 169.572 171.368 -1.796 19755 1869 1 4 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.464 -0.098 19755 1870 1 4 . 1 1 70 70 GLY H H 70 6.977 6.977 7.158 -0.181 19755 1871 1 4 . 1 1 71 71 LEU N N 71 116.716 116.716 118.982 -2.266 19755 1872 1 4 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.324 -0.308 19755 1873 1 4 . 1 1 71 71 LEU C C 71 174.299 174.299 175.003 -0.704 19755 1874 1 4 . 1 1 71 71 LEU CA C 71 53.057 53.057 53.905 -0.848 19755 1875 1 4 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.742 -0.850 19755 1876 1 4 . 1 1 71 71 LEU H H 71 8.032 8.032 8.444 -0.412 19755 1877 1 4 . 1 1 72 72 GLU N N 72 120.507 120.507 121.363 -0.856 19755 1878 1 4 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.103 -0.137 19755 1879 1 4 . 1 1 72 72 GLU C C 72 174.588 174.588 175.251 -0.663 19755 1880 1 4 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.375 -0.341 19755 1881 1 4 . 1 1 72 72 GLU CB C 72 33.392 33.392 32.392 1.000 19755 1882 1 4 . 1 1 72 72 GLU H H 72 8.739 8.739 8.667 0.072 19755 1883 1 4 . 1 1 73 73 ILE N N 73 127.226 127.226 123.867 3.359 19755 1884 1 4 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.444 0.082 19755 1885 1 4 . 1 1 73 73 ILE C C 73 173.786 173.786 174.384 -0.598 19755 1886 1 4 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.701 0.727 19755 1887 1 4 . 1 1 73 73 ILE CB C 73 39.105 39.105 38.863 0.242 19755 1888 1 4 . 1 1 73 73 ILE H H 73 8.755 8.755 8.833 -0.078 19755 1889 1 4 . 1 1 74 74 ILE N N 74 126.107 126.107 127.992 -1.885 19755 1890 1 4 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.795 -0.129 19755 1891 1 4 . 1 1 74 74 ILE C C 74 175.304 175.304 174.653 0.651 19755 1892 1 4 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.486 1.322 19755 1893 1 4 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.483 -0.051 19755 1894 1 4 . 1 1 74 74 ILE H H 74 8.691 8.691 9.130 -0.439 19755 1895 1 4 . 1 1 75 75 VAL N N 75 128.967 128.967 125.473 3.494 19755 1896 1 4 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.227 -0.622 19755 1897 1 4 . 1 1 75 75 VAL C C 75 174.187 174.187 173.740 0.447 19755 1898 1 4 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.897 1.523 19755 1899 1 4 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.791 -2.146 19755 1900 1 4 . 1 1 75 75 VAL H H 75 9.178 9.178 9.241 -0.063 19755 1901 1 4 . 1 1 76 76 THR HA H 76 5.743 5.743 5.133 0.610 19755 1902 1 4 . 1 1 76 76 THR CA C 76 59.957 59.957 59.694 0.263 19755 1903 1 4 . 1 1 76 76 THR CB C 76 71.833 71.833 71.516 0.317 19755 1904 1 4 . 1 1 77 77 LYS N N 77 124.204 124.204 120.487 3.717 19755 1905 1 4 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.739 -0.151 19755 1906 1 4 . 1 1 77 77 LYS CA C 77 55.751 55.751 55.473 0.278 19755 1907 1 4 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.487 -1.540 19755 1908 1 4 . 1 1 77 77 LYS H H 77 8.688 8.688 8.474 0.214 19755 1909 1 4 . 1 1 78 78 ALA N N 78 125.102 125.102 123.357 1.745 19755 1910 1 4 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.237 -0.261 19755 1911 1 4 . 1 1 78 78 ALA C C 78 176.776 176.776 176.641 0.135 19755 1912 1 4 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.321 0.110 19755 1913 1 4 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.175 0.367 19755 1914 1 4 . 1 1 78 78 ALA H H 78 8.137 8.137 8.227 -0.090 19755 1915 1 4 . 1 1 79 79 GLN HA H 79 4.085 4.085 2.877 1.208 19755 1916 1 4 . 1 1 79 79 GLN CA C 79 55.540 55.540 54.888 0.652 19755 1917 1 4 . 1 1 79 79 GLN CB C 79 29.617 29.617 28.588 1.029 19755 1918 1 4 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.129 0.166 19755 1919 1 4 . 1 1 80 80 LEU CA C 80 55.034 55.034 57.217 -2.183 19755 1920 1 4 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.388 -0.068 19755 1921 1 4 . 1 1 81 81 SER N N 81 116.580 116.580 109.623 6.957 19755 1922 1 4 . 1 1 81 81 SER HA H 81 4.291 4.291 4.414 -0.123 19755 1923 1 4 . 1 1 81 81 SER C C 81 174.770 174.770 174.972 -0.202 19755 1924 1 4 . 1 1 81 81 SER CA C 81 58.674 58.674 58.579 0.095 19755 1925 1 4 . 1 1 81 81 SER CB C 81 63.931 63.931 62.180 1.751 19755 1926 1 4 . 1 1 81 81 SER H H 81 8.214 8.214 8.151 0.063 19755 1927 1 4 . 1 1 82 82 LYS N N 82 122.968 122.968 121.475 1.493 19755 1928 1 4 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.003 0.280 19755 1929 1 4 . 1 1 82 82 LYS C C 82 176.222 176.222 176.570 -0.348 19755 1930 1 4 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.311 -1.769 19755 1931 1 4 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.750 0.191 19755 1932 1 4 . 1 1 82 82 LYS H H 82 8.255 8.255 7.467 0.788 19755 1933 1 4 . 1 1 83 83 ASP N N 83 120.305 120.305 114.803 5.502 19755 1934 1 4 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.744 -0.198 19755 1935 1 4 . 1 1 83 83 ASP C C 83 176.527 176.527 174.281 2.246 19755 1936 1 4 . 1 1 83 83 ASP CA C 83 54.864 54.864 53.259 1.605 19755 1937 1 4 . 1 1 83 83 ASP CB C 83 41.156 41.156 43.830 -2.674 19755 1938 1 4 . 1 1 83 83 ASP H H 83 8.158 8.158 7.618 0.540 19755 1939 1 4 . 1 1 84 84 LEU N N 84 121.499 121.499 120.728 0.771 19755 1940 1 4 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.610 -0.427 19755 1941 1 4 . 1 1 84 84 LEU C C 84 177.585 177.585 176.860 0.725 19755 1942 1 4 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.194 -0.152 19755 1943 1 4 . 1 1 84 84 LEU CB C 84 42.379 42.379 44.410 -2.031 19755 1944 1 4 . 1 1 84 84 LEU H H 84 7.955 7.955 8.460 -0.505 19755 1945 1 4 . 1 1 85 85 ASP N N 85 119.668 119.668 120.981 -1.313 19755 1946 1 4 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.400 0.100 19755 1947 1 4 . 1 1 85 85 ASP C C 85 176.445 176.445 177.048 -0.603 19755 1948 1 4 . 1 1 85 85 ASP CA C 85 55.143 55.143 56.248 -1.105 19755 1949 1 4 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.307 -0.191 19755 1950 1 4 . 1 1 85 85 ASP H H 85 8.207 8.207 8.067 0.140 19755 1951 1 4 . 1 1 86 86 LYS N N 86 119.760 119.760 120.064 -0.304 19755 1952 1 4 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.401 -0.148 19755 1953 1 4 . 1 1 86 86 LYS C C 86 176.336 176.336 176.383 -0.047 19755 1954 1 4 . 1 1 86 86 LYS CA C 86 56.519 56.519 55.253 1.266 19755 1955 1 4 . 1 1 86 86 LYS CB C 86 33.072 33.072 31.861 1.211 19755 1956 1 4 . 1 1 86 86 LYS H H 86 7.843 7.843 8.484 -0.641 19755 1957 1 4 . 1 1 87 87 LEU N N 87 122.086 122.086 123.630 -1.544 19755 1958 1 4 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.194 0.115 19755 1959 1 4 . 1 1 87 87 LEU C C 87 176.952 176.952 177.425 -0.473 19755 1960 1 4 . 1 1 87 87 LEU CA C 87 55.369 55.369 54.759 0.610 19755 1961 1 4 . 1 1 87 87 LEU CB C 87 42.407 42.407 42.602 -0.195 19755 1962 1 4 . 1 1 87 87 LEU H H 87 8.008 8.008 8.368 -0.360 19755 1963 1 4 . 1 1 88 88 VAL N N 88 122.409 122.409 116.998 5.411 19755 1964 1 4 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.265 0.109 19755 1965 1 4 . 1 1 88 88 VAL C C 88 174.225 174.225 174.670 -0.445 19755 1966 1 4 . 1 1 88 88 VAL CA C 88 59.992 59.992 60.447 -0.455 19755 1967 1 4 . 1 1 88 88 VAL CB C 88 32.946 32.946 31.397 1.549 19755 1968 1 4 . 1 1 88 88 VAL H H 88 7.919 7.919 8.126 -0.207 19755 1969 1 4 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.412 -0.042 19755 1970 1 4 . 1 1 89 89 PRO C C 89 176.035 176.035 175.802 0.233 19755 1971 1 4 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.488 0.104 19755 1972 1 4 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.136 0.082 19755 1973 1 5 . 1 1 2 2 GLU N N 2 123.952 123.952 121.757 2.195 19755 1974 1 5 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.830 -0.149 19755 1975 1 5 . 1 1 2 2 GLU C C 2 174.704 174.704 175.471 -0.767 19755 1976 1 5 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.228 0.638 19755 1977 1 5 . 1 1 2 2 GLU CB C 2 32.406 32.406 30.107 2.299 19755 1978 1 5 . 1 1 2 2 GLU H H 2 8.571 8.571 8.775 -0.204 19755 1979 1 5 . 1 1 3 3 ILE N N 3 121.558 121.558 123.096 -1.538 19755 1980 1 5 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.347 0.365 19755 1981 1 5 . 1 1 3 3 ILE C C 3 174.736 174.736 176.634 -1.898 19755 1982 1 5 . 1 1 3 3 ILE CA C 3 60.277 60.277 60.123 0.154 19755 1983 1 5 . 1 1 3 3 ILE CB C 3 40.861 40.861 38.361 2.500 19755 1984 1 5 . 1 1 3 3 ILE H H 3 8.565 8.565 8.428 0.137 19755 1985 1 5 . 1 1 4 4 GLU N N 4 126.319 126.319 126.478 -0.159 19755 1986 1 5 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.632 -0.071 19755 1987 1 5 . 1 1 4 4 GLU C C 4 174.708 174.708 174.497 0.211 19755 1988 1 5 . 1 1 4 4 GLU CA C 4 55.228 55.228 55.086 0.142 19755 1989 1 5 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.711 -0.702 19755 1990 1 5 . 1 1 4 4 GLU H H 4 9.153 9.153 9.155 -0.002 19755 1991 1 5 . 1 1 5 5 ARG N N 5 127.727 127.727 125.643 2.084 19755 1992 1 5 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.649 -0.089 19755 1993 1 5 . 1 1 5 5 ARG C C 5 175.807 175.807 175.780 0.027 19755 1994 1 5 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.416 0.707 19755 1995 1 5 . 1 1 5 5 ARG CB C 5 29.653 29.653 30.320 -0.667 19755 1996 1 5 . 1 1 5 5 ARG H H 5 9.002 9.002 8.800 0.202 19755 1997 1 5 . 1 1 6 6 ILE N N 6 129.149 129.149 126.865 2.284 19755 1998 1 5 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.946 -0.042 19755 1999 1 5 . 1 1 6 6 ILE C C 6 176.468 176.468 176.490 -0.022 19755 2000 1 5 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.543 0.428 19755 2001 1 5 . 1 1 6 6 ILE CB C 6 38.162 38.162 38.180 -0.018 19755 2002 1 5 . 1 1 6 6 ILE H H 6 8.030 8.030 8.487 -0.457 19755 2003 1 5 . 1 1 7 7 ASN N N 7 112.808 112.808 115.622 -2.814 19755 2004 1 5 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.764 -0.205 19755 2005 1 5 . 1 1 7 7 ASN C C 7 175.254 175.254 173.786 1.468 19755 2006 1 5 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.811 1.042 19755 2007 1 5 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.143 -0.868 19755 2008 1 5 . 1 1 7 7 ASN H H 7 8.147 8.147 7.804 0.343 19755 2009 1 5 . 1 1 8 8 GLU N N 8 121.087 121.087 116.584 4.503 19755 2010 1 5 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.053 -0.003 19755 2011 1 5 . 1 1 8 8 GLU C C 8 176.486 176.486 175.944 0.542 19755 2012 1 5 . 1 1 8 8 GLU CA C 8 59.802 59.802 57.781 2.021 19755 2013 1 5 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.268 0.183 19755 2014 1 5 . 1 1 8 8 GLU H H 8 8.770 8.770 8.580 0.190 19755 2015 1 5 . 1 1 9 9 HIS N N 9 113.719 113.719 114.792 -1.073 19755 2016 1 5 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.745 0.220 19755 2017 1 5 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.678 -0.873 19755 2018 1 5 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.800 0.185 19755 2019 1 5 . 1 1 9 9 HIS H H 9 7.921 7.921 8.235 -0.314 19755 2020 1 5 . 1 1 10 10 THR N N 10 116.218 116.218 115.667 0.551 19755 2021 1 5 . 1 1 10 10 THR HA H 10 5.736 5.736 5.250 0.486 19755 2022 1 5 . 1 1 10 10 THR C C 10 173.396 173.396 172.930 0.466 19755 2023 1 5 . 1 1 10 10 THR CA C 10 62.820 62.820 61.886 0.934 19755 2024 1 5 . 1 1 10 10 THR CB C 10 71.465 71.465 71.385 0.080 19755 2025 1 5 . 1 1 10 10 THR H H 10 7.349 7.349 8.604 -1.255 19755 2026 1 5 . 1 1 11 11 VAL N N 11 124.880 124.880 119.009 5.871 19755 2027 1 5 . 1 1 11 11 VAL HA H 11 4.857 4.857 4.938 -0.081 19755 2028 1 5 . 1 1 11 11 VAL C C 11 172.156 172.156 173.295 -1.139 19755 2029 1 5 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.229 0.647 19755 2030 1 5 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.138 0.848 19755 2031 1 5 . 1 1 11 11 VAL H H 11 9.043 9.043 9.058 -0.015 19755 2032 1 5 . 1 1 12 12 LYS N N 12 124.164 124.164 120.124 4.040 19755 2033 1 5 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.437 0.147 19755 2034 1 5 . 1 1 12 12 LYS C C 12 173.380 173.380 174.848 -1.468 19755 2035 1 5 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.519 -0.314 19755 2036 1 5 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.963 0.494 19755 2037 1 5 . 1 1 12 12 LYS H H 12 8.884 8.884 8.899 -0.015 19755 2038 1 5 . 1 1 13 13 PHE N N 13 124.228 124.228 114.183 10.045 19755 2039 1 5 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.521 -0.193 19755 2040 1 5 . 1 1 13 13 PHE C C 13 172.237 172.237 172.843 -0.606 19755 2041 1 5 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.042 -0.056 19755 2042 1 5 . 1 1 13 13 PHE CB C 13 41.916 41.916 41.977 -0.061 19755 2043 1 5 . 1 1 13 13 PHE H H 13 8.989 8.989 8.910 0.079 19755 2044 1 5 . 1 1 14 14 TYR N N 14 121.263 121.263 121.389 -0.126 19755 2045 1 5 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.417 -0.030 19755 2046 1 5 . 1 1 14 14 TYR C C 14 174.713 174.713 173.613 1.100 19755 2047 1 5 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.751 0.202 19755 2048 1 5 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.354 -0.846 19755 2049 1 5 . 1 1 14 14 TYR H H 14 8.670 8.670 8.819 -0.149 19755 2050 1 5 . 1 1 15 15 MET N N 15 124.869 124.869 126.204 -1.335 19755 2051 1 5 . 1 1 15 15 MET HA H 15 4.417 4.417 4.649 -0.232 19755 2052 1 5 . 1 1 15 15 MET C C 15 173.614 173.614 173.577 0.037 19755 2053 1 5 . 1 1 15 15 MET CA C 15 54.305 54.305 54.163 0.142 19755 2054 1 5 . 1 1 15 15 MET CB C 15 37.439 37.439 36.075 1.364 19755 2055 1 5 . 1 1 15 15 MET H H 15 7.927 7.927 8.666 -0.739 19755 2056 1 5 . 1 1 16 16 SER N N 16 120.626 120.626 123.025 -2.399 19755 2057 1 5 . 1 1 16 16 SER HA H 16 4.396 4.396 4.307 0.089 19755 2058 1 5 . 1 1 16 16 SER C C 16 175.508 175.508 175.476 0.032 19755 2059 1 5 . 1 1 16 16 SER CA C 16 57.637 57.637 58.371 -0.734 19755 2060 1 5 . 1 1 16 16 SER CB C 16 65.033 65.033 64.020 1.013 19755 2061 1 5 . 1 1 16 16 SER H H 16 9.061 9.061 8.655 0.406 19755 2062 1 5 . 1 1 17 17 TYR N N 17 119.917 119.917 122.618 -2.701 19755 2063 1 5 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.194 0.166 19755 2064 1 5 . 1 1 17 17 TYR C C 17 178.684 178.684 178.180 0.504 19755 2065 1 5 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.630 1.326 19755 2066 1 5 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.648 -0.659 19755 2067 1 5 . 1 1 17 17 TYR H H 17 8.411 8.411 8.471 -0.060 19755 2068 1 5 . 1 1 18 18 GLY N N 18 107.011 107.011 105.656 1.355 19755 2069 1 5 . 1 1 18 18 GLY C C 18 175.454 175.454 176.006 -0.552 19755 2070 1 5 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.724 0.722 19755 2071 1 5 . 1 1 18 18 GLY H H 18 8.534 8.534 8.912 -0.378 19755 2072 1 5 . 1 1 19 19 ASP N N 19 122.947 122.947 122.145 0.802 19755 2073 1 5 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.540 -0.148 19755 2074 1 5 . 1 1 19 19 ASP C C 19 179.020 179.020 178.495 0.525 19755 2075 1 5 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.234 0.209 19755 2076 1 5 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.001 -0.087 19755 2077 1 5 . 1 1 19 19 ASP H H 19 7.788 7.788 7.782 0.006 19755 2078 1 5 . 1 1 20 20 ILE N N 20 119.114 119.114 121.033 -1.919 19755 2079 1 5 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.753 -0.225 19755 2080 1 5 . 1 1 20 20 ILE C C 20 177.939 177.939 177.668 0.271 19755 2081 1 5 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.974 1.336 19755 2082 1 5 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.309 0.578 19755 2083 1 5 . 1 1 20 20 ILE H H 20 7.762 7.762 7.605 0.157 19755 2084 1 5 . 1 1 21 21 GLU N N 21 119.999 119.999 120.428 -0.429 19755 2085 1 5 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.286 0.296 19755 2086 1 5 . 1 1 21 21 GLU C C 21 181.888 181.888 179.828 2.060 19755 2087 1 5 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.154 0.053 19755 2088 1 5 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.060 0.354 19755 2089 1 5 . 1 1 21 21 GLU H H 21 8.113 8.113 8.389 -0.276 19755 2090 1 5 . 1 1 22 22 ASP N N 22 122.667 122.667 120.956 1.711 19755 2091 1 5 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.486 -0.012 19755 2092 1 5 . 1 1 22 22 ASP C C 22 178.184 178.184 177.943 0.241 19755 2093 1 5 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.606 0.729 19755 2094 1 5 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.000 -0.133 19755 2095 1 5 . 1 1 22 22 ASP H H 22 8.699 8.699 8.176 0.523 19755 2096 1 5 . 1 1 23 23 ARG N N 23 116.862 116.862 117.562 -0.700 19755 2097 1 5 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.378 -0.034 19755 2098 1 5 . 1 1 23 23 ARG C C 23 176.101 176.101 177.096 -0.995 19755 2099 1 5 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.518 0.134 19755 2100 1 5 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.699 0.098 19755 2101 1 5 . 1 1 23 23 ARG H H 23 7.380 7.380 7.734 -0.354 19755 2102 1 5 . 1 1 24 24 GLY N N 24 106.318 106.318 105.977 0.341 19755 2103 1 5 . 1 1 24 24 GLY C C 24 174.117 174.117 174.705 -0.588 19755 2104 1 5 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.452 0.041 19755 2105 1 5 . 1 1 24 24 GLY H H 24 8.004 8.004 7.911 0.093 19755 2106 1 5 . 1 1 25 25 PHE N N 25 118.274 118.274 120.248 -1.974 19755 2107 1 5 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.646 -0.024 19755 2108 1 5 . 1 1 25 25 PHE C C 25 174.127 174.127 174.943 -0.816 19755 2109 1 5 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.420 -0.490 19755 2110 1 5 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.056 1.815 19755 2111 1 5 . 1 1 25 25 PHE H H 25 7.550 7.550 8.371 -0.821 19755 2112 1 5 . 1 1 26 26 ASP N N 26 121.320 121.320 118.078 3.242 19755 2113 1 5 . 1 1 26 26 ASP HA H 26 4.894 4.894 5.325 -0.431 19755 2114 1 5 . 1 1 26 26 ASP C C 26 177.370 177.370 177.466 -0.096 19755 2115 1 5 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.475 0.632 19755 2116 1 5 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.548 0.518 19755 2117 1 5 . 1 1 26 26 ASP H H 26 8.891 8.891 8.293 0.598 19755 2118 1 5 . 1 1 27 27 ARG N N 27 124.100 124.100 124.598 -0.498 19755 2119 1 5 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.837 0.005 19755 2120 1 5 . 1 1 27 27 ARG C C 27 176.201 176.201 177.993 -1.792 19755 2121 1 5 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.306 0.551 19755 2122 1 5 . 1 1 27 27 ARG CB C 27 29.675 29.675 29.874 -0.199 19755 2123 1 5 . 1 1 27 27 ARG H H 27 9.033 9.033 8.875 0.158 19755 2124 1 5 . 1 1 28 28 GLU N N 28 118.451 118.451 119.066 -0.615 19755 2125 1 5 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.272 -0.235 19755 2126 1 5 . 1 1 28 28 GLU C C 28 178.889 178.889 178.797 0.092 19755 2127 1 5 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.305 -0.050 19755 2128 1 5 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.748 -0.298 19755 2129 1 5 . 1 1 28 28 GLU H H 28 8.362 8.362 8.341 0.021 19755 2130 1 5 . 1 1 29 29 GLU N N 29 118.302 118.302 119.960 -1.658 19755 2131 1 5 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.203 -0.118 19755 2132 1 5 . 1 1 29 29 GLU C C 29 178.137 178.137 179.079 -0.942 19755 2133 1 5 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.256 -0.296 19755 2134 1 5 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.218 1.234 19755 2135 1 5 . 1 1 29 29 GLU H H 29 7.821 7.821 7.905 -0.084 19755 2136 1 5 . 1 1 30 30 ILE N N 30 115.456 115.456 118.638 -3.182 19755 2137 1 5 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.840 -0.213 19755 2138 1 5 . 1 1 30 30 ILE C C 30 176.229 176.229 178.187 -1.958 19755 2139 1 5 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.853 -3.790 19755 2140 1 5 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.971 -1.031 19755 2141 1 5 . 1 1 30 30 ILE H H 30 7.363 7.363 8.405 -1.042 19755 2142 1 5 . 1 1 31 31 TRP N N 31 116.714 116.714 117.693 -0.979 19755 2143 1 5 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.235 -0.085 19755 2144 1 5 . 1 1 31 31 TRP C C 31 178.092 178.092 176.876 1.216 19755 2145 1 5 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.369 1.249 19755 2146 1 5 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.104 0.524 19755 2147 1 5 . 1 1 31 31 TRP H H 31 7.410 7.410 7.378 0.032 19755 2148 1 5 . 1 1 32 32 TYR N N 32 112.769 112.769 113.494 -0.725 19755 2149 1 5 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.737 0.029 19755 2150 1 5 . 1 1 32 32 TYR C C 32 175.767 175.767 175.365 0.402 19755 2151 1 5 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.538 1.094 19755 2152 1 5 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.344 0.878 19755 2153 1 5 . 1 1 32 32 TYR H H 32 7.577 7.577 7.264 0.313 19755 2154 1 5 . 1 1 33 33 ASN N N 33 120.521 120.521 119.818 0.703 19755 2155 1 5 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.115 -0.067 19755 2156 1 5 . 1 1 33 33 ASN C C 33 174.851 174.851 174.754 0.097 19755 2157 1 5 . 1 1 33 33 ASN CA C 33 52.320 52.320 53.043 -0.723 19755 2158 1 5 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.455 -0.242 19755 2159 1 5 . 1 1 33 33 ASN H H 33 8.364 8.364 8.166 0.198 19755 2160 1 5 . 1 1 34 34 ARG N N 34 126.163 126.163 125.472 0.691 19755 2161 1 5 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.929 0.256 19755 2162 1 5 . 1 1 34 34 ARG C C 34 178.509 178.509 177.835 0.674 19755 2163 1 5 . 1 1 34 34 ARG CA C 34 58.504 58.504 60.372 -1.868 19755 2164 1 5 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.348 -0.855 19755 2165 1 5 . 1 1 34 34 ARG H H 34 8.830 8.830 8.998 -0.168 19755 2166 1 5 . 1 1 35 35 GLU N N 35 118.994 118.994 116.462 2.532 19755 2167 1 5 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.256 -0.096 19755 2168 1 5 . 1 1 35 35 GLU C C 35 179.839 179.839 178.660 1.179 19755 2169 1 5 . 1 1 35 35 GLU CA C 35 60.191 60.191 59.094 1.097 19755 2170 1 5 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.766 0.667 19755 2171 1 5 . 1 1 35 35 GLU H H 35 8.380 8.380 8.851 -0.471 19755 2172 1 5 . 1 1 36 36 ARG N N 36 119.197 119.197 119.598 -0.401 19755 2173 1 5 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.566 -0.166 19755 2174 1 5 . 1 1 36 36 ARG C C 36 178.217 178.217 178.742 -0.525 19755 2175 1 5 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.663 0.731 19755 2176 1 5 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.755 -0.220 19755 2177 1 5 . 1 1 36 36 ARG H H 36 7.686 7.686 8.089 -0.403 19755 2178 1 5 . 1 1 37 37 SER N N 37 114.607 114.607 116.752 -2.145 19755 2179 1 5 . 1 1 37 37 SER HA H 37 3.899 3.899 4.262 -0.363 19755 2180 1 5 . 1 1 37 37 SER C C 37 178.298 178.298 176.362 1.936 19755 2181 1 5 . 1 1 37 37 SER CA C 37 62.455 62.455 62.105 0.350 19755 2182 1 5 . 1 1 37 37 SER CB C 37 62.542 62.542 62.962 -0.420 19755 2183 1 5 . 1 1 37 37 SER H H 37 8.282 8.282 8.412 -0.130 19755 2184 1 5 . 1 1 38 38 GLU N N 38 121.063 121.063 122.240 -1.177 19755 2185 1 5 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.167 -0.411 19755 2186 1 5 . 1 1 38 38 GLU C C 38 177.182 177.182 178.929 -1.747 19755 2187 1 5 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.825 0.473 19755 2188 1 5 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.636 -0.362 19755 2189 1 5 . 1 1 38 38 GLU H H 38 7.849 7.849 8.011 -0.162 19755 2190 1 5 . 1 1 39 39 GLU N N 39 119.119 119.119 119.124 -0.005 19755 2191 1 5 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.209 0.020 19755 2192 1 5 . 1 1 39 39 GLU C C 39 179.781 179.781 179.047 0.734 19755 2193 1 5 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.940 1.232 19755 2194 1 5 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.986 1.073 19755 2195 1 5 . 1 1 39 39 GLU H H 39 7.686 7.686 7.859 -0.173 19755 2196 1 5 . 1 1 40 40 LEU N N 40 120.164 120.164 120.418 -0.254 19755 2197 1 5 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.740 -0.048 19755 2198 1 5 . 1 1 40 40 LEU C C 40 177.155 177.155 178.134 -0.979 19755 2199 1 5 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.024 0.240 19755 2200 1 5 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.396 -0.947 19755 2201 1 5 . 1 1 40 40 LEU H H 40 7.739 7.739 7.947 -0.208 19755 2202 1 5 . 1 1 41 41 PHE N N 41 118.207 118.207 116.770 1.437 19755 2203 1 5 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.115 -0.310 19755 2204 1 5 . 1 1 41 41 PHE C C 41 176.387 176.387 177.770 -1.383 19755 2205 1 5 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.921 -0.557 19755 2206 1 5 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.130 -0.061 19755 2207 1 5 . 1 1 41 41 PHE H H 41 7.825 7.825 7.451 0.374 19755 2208 1 5 . 1 1 42 42 TRP N N 42 117.448 117.448 118.454 -1.006 19755 2209 1 5 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.172 -0.048 19755 2210 1 5 . 1 1 42 42 TRP C C 42 179.071 179.071 178.205 0.866 19755 2211 1 5 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.179 -1.100 19755 2212 1 5 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.361 0.093 19755 2213 1 5 . 1 1 42 42 TRP H H 42 8.266 8.266 8.861 -0.595 19755 2214 1 5 . 1 1 43 43 GLU N N 43 120.573 120.573 119.880 0.693 19755 2215 1 5 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.007 0.152 19755 2216 1 5 . 1 1 43 43 GLU C C 43 179.556 179.556 178.648 0.908 19755 2217 1 5 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.586 0.595 19755 2218 1 5 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.442 0.060 19755 2219 1 5 . 1 1 43 43 GLU H H 43 7.918 7.918 7.761 0.157 19755 2220 1 5 . 1 1 44 44 VAL N N 44 119.502 119.502 117.765 1.737 19755 2221 1 5 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.526 -0.081 19755 2222 1 5 . 1 1 44 44 VAL C C 44 178.356 178.356 178.093 0.263 19755 2223 1 5 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.736 0.654 19755 2224 1 5 . 1 1 44 44 VAL CB C 44 31.220 31.220 30.885 0.335 19755 2225 1 5 . 1 1 44 44 VAL H H 44 7.947 7.947 7.652 0.295 19755 2226 1 5 . 1 1 45 45 MET N N 45 117.691 117.691 118.586 -0.895 19755 2227 1 5 . 1 1 45 45 MET HA H 45 4.118 4.118 4.107 0.011 19755 2228 1 5 . 1 1 45 45 MET C C 45 179.207 179.207 179.133 0.074 19755 2229 1 5 . 1 1 45 45 MET CA C 45 56.677 56.677 57.928 -1.251 19755 2230 1 5 . 1 1 45 45 MET CB C 45 31.094 31.094 31.115 -0.021 19755 2231 1 5 . 1 1 45 45 MET H H 45 7.998 7.998 7.960 0.038 19755 2232 1 5 . 1 1 46 46 ASP N N 46 119.109 119.109 120.457 -1.348 19755 2233 1 5 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.356 0.185 19755 2234 1 5 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.283 -0.341 19755 2235 1 5 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.810 0.618 19755 2236 1 5 . 1 1 46 46 ASP H H 46 7.773 7.773 8.284 -0.511 19755 2237 1 5 . 1 1 47 47 GLU N N 47 118.018 118.018 120.222 -2.204 19755 2238 1 5 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.177 -0.009 19755 2239 1 5 . 1 1 47 47 GLU C C 47 177.957 177.957 177.559 0.398 19755 2240 1 5 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.279 -0.302 19755 2241 1 5 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.435 0.968 19755 2242 1 5 . 1 1 47 47 GLU H H 47 7.608 7.608 8.175 -0.567 19755 2243 1 5 . 1 1 48 48 VAL N N 48 115.277 115.277 111.078 4.199 19755 2244 1 5 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.346 -0.241 19755 2245 1 5 . 1 1 48 48 VAL CA C 48 62.377 62.377 62.468 -0.091 19755 2246 1 5 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.533 1.333 19755 2247 1 5 . 1 1 48 48 VAL H H 48 7.508 7.508 7.506 0.002 19755 2248 1 5 . 1 1 49 49 HIS N N 49 121.222 121.222 122.559 -1.337 19755 2249 1 5 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.152 0.459 19755 2250 1 5 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.826 -2.826 19755 2251 1 5 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.014 -0.485 19755 2252 1 5 . 1 1 49 49 HIS H H 49 8.099 8.099 7.927 0.172 19755 2253 1 5 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.358 -0.136 19755 2254 1 5 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.554 -0.925 19755 2255 1 5 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.413 1.010 19755 2256 1 5 . 1 1 51 51 GLU N N 51 119.589 119.589 116.132 3.457 19755 2257 1 5 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.534 -0.300 19755 2258 1 5 . 1 1 51 51 GLU C C 51 176.279 176.279 175.963 0.316 19755 2259 1 5 . 1 1 51 51 GLU CA C 51 56.547 56.547 56.851 -0.304 19755 2260 1 5 . 1 1 51 51 GLU CB C 51 30.581 30.581 29.978 0.603 19755 2261 1 5 . 1 1 51 51 GLU H H 51 8.121 8.121 8.152 -0.031 19755 2262 1 5 . 1 1 52 52 GLU N N 52 122.410 122.410 117.733 4.677 19755 2263 1 5 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.057 0.253 19755 2264 1 5 . 1 1 52 52 GLU C C 52 176.127 176.127 177.827 -1.700 19755 2265 1 5 . 1 1 52 52 GLU CA C 52 56.508 56.508 56.548 -0.041 19755 2266 1 5 . 1 1 52 52 GLU CB C 52 30.565 30.565 30.246 0.319 19755 2267 1 5 . 1 1 52 52 GLU H H 52 8.412 8.412 7.904 0.508 19755 2268 1 5 . 1 1 53 53 GLU N N 53 121.407 121.407 121.348 0.059 19755 2269 1 5 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.860 0.434 19755 2270 1 5 . 1 1 53 53 GLU C C 53 176.242 176.242 177.612 -1.370 19755 2271 1 5 . 1 1 53 53 GLU CA C 53 56.607 56.607 59.035 -2.428 19755 2272 1 5 . 1 1 53 53 GLU CB C 53 30.439 30.439 29.107 1.332 19755 2273 1 5 . 1 1 53 53 GLU H H 53 8.361 8.361 8.182 0.179 19755 2274 1 5 . 1 1 54 54 PHE N N 54 121.128 121.128 112.845 8.283 19755 2275 1 5 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.791 -0.197 19755 2276 1 5 . 1 1 54 54 PHE C C 54 176.021 176.021 174.504 1.517 19755 2277 1 5 . 1 1 54 54 PHE CA C 54 57.554 57.554 56.329 1.225 19755 2278 1 5 . 1 1 54 54 PHE CB C 54 40.192 40.192 38.746 1.446 19755 2279 1 5 . 1 1 54 54 PHE H H 54 8.147 8.147 7.027 1.120 19755 2280 1 5 . 1 1 55 55 ALA N N 55 126.124 126.124 122.910 3.214 19755 2281 1 5 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.638 -0.217 19755 2282 1 5 . 1 1 55 55 ALA C C 55 177.391 177.391 175.205 2.186 19755 2283 1 5 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.267 0.107 19755 2284 1 5 . 1 1 55 55 ALA CB C 55 19.512 19.512 19.307 0.205 19755 2285 1 5 . 1 1 55 55 ALA H H 55 8.124 8.124 7.917 0.207 19755 2286 1 5 . 1 1 56 56 VAL N N 56 119.019 119.019 119.527 -0.508 19755 2287 1 5 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.324 -0.191 19755 2288 1 5 . 1 1 56 56 VAL C C 56 176.128 176.128 174.477 1.651 19755 2289 1 5 . 1 1 56 56 VAL CA C 56 62.306 62.306 61.572 0.734 19755 2290 1 5 . 1 1 56 56 VAL CB C 56 33.274 33.274 31.323 1.951 19755 2291 1 5 . 1 1 56 56 VAL H H 56 7.958 7.958 8.079 -0.121 19755 2292 1 5 . 1 1 57 57 GLU N N 57 124.588 124.588 123.781 0.807 19755 2293 1 5 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.551 -0.056 19755 2294 1 5 . 1 1 57 57 GLU C C 57 176.082 176.082 175.930 0.152 19755 2295 1 5 . 1 1 57 57 GLU CA C 57 56.056 56.056 56.017 0.040 19755 2296 1 5 . 1 1 57 57 GLU CB C 57 31.303 31.303 30.043 1.260 19755 2297 1 5 . 1 1 57 57 GLU H H 57 8.413 8.413 8.551 -0.138 19755 2298 1 5 . 1 1 58 58 GLY N N 58 110.794 110.794 109.565 1.229 19755 2299 1 5 . 1 1 58 58 GLY C C 58 170.660 170.660 172.190 -1.530 19755 2300 1 5 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.755 0.102 19755 2301 1 5 . 1 1 58 58 GLY H H 58 8.040 8.040 7.881 0.159 19755 2302 1 5 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.460 -0.029 19755 2303 1 5 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.641 0.447 19755 2304 1 5 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.576 -0.102 19755 2305 1 5 . 1 1 60 60 LEU N N 60 120.609 120.609 118.604 2.005 19755 2306 1 5 . 1 1 60 60 LEU C C 60 176.392 176.392 175.779 0.613 19755 2307 1 5 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.185 -0.261 19755 2308 1 5 . 1 1 60 60 LEU CB C 60 45.038 45.038 44.836 0.202 19755 2309 1 5 . 1 1 60 60 LEU H H 60 8.367 8.367 7.983 0.384 19755 2310 1 5 . 1 1 61 61 TRP N N 61 124.050 124.050 121.860 2.190 19755 2311 1 5 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.832 0.129 19755 2312 1 5 . 1 1 61 61 TRP CA C 61 56.133 56.133 57.023 -0.890 19755 2313 1 5 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.042 -2.176 19755 2314 1 5 . 1 1 61 61 TRP H H 61 9.101 9.101 8.326 0.775 19755 2315 1 5 . 1 1 62 62 ILE N N 62 121.315 121.315 121.482 -0.167 19755 2316 1 5 . 1 1 62 62 ILE C C 62 174.576 174.576 174.666 -0.090 19755 2317 1 5 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.537 1.019 19755 2318 1 5 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.297 -0.658 19755 2319 1 5 . 1 1 62 62 ILE H H 62 7.863 7.863 8.514 -0.651 19755 2320 1 5 . 1 1 63 63 GLN N N 63 127.300 127.300 125.294 2.006 19755 2321 1 5 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.856 -0.322 19755 2322 1 5 . 1 1 63 63 GLN C C 63 173.768 173.768 173.527 0.241 19755 2323 1 5 . 1 1 63 63 GLN CA C 63 54.409 54.409 55.132 -0.723 19755 2324 1 5 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.307 -2.998 19755 2325 1 5 . 1 1 63 63 GLN H H 63 8.881 8.881 9.243 -0.362 19755 2326 1 5 . 1 1 64 64 VAL N N 64 123.414 123.414 121.974 1.440 19755 2327 1 5 . 1 1 64 64 VAL HA H 64 4.677 4.677 5.102 -0.425 19755 2328 1 5 . 1 1 64 64 VAL C C 64 174.737 174.737 173.727 1.010 19755 2329 1 5 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.396 0.569 19755 2330 1 5 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.613 -1.193 19755 2331 1 5 . 1 1 64 64 VAL H H 64 8.330 8.330 8.472 -0.142 19755 2332 1 5 . 1 1 65 65 GLN N N 65 125.152 125.152 123.786 1.366 19755 2333 1 5 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.780 -0.029 19755 2334 1 5 . 1 1 65 65 GLN C C 65 174.043 174.043 173.783 0.260 19755 2335 1 5 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.922 0.499 19755 2336 1 5 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.261 -0.305 19755 2337 1 5 . 1 1 65 65 GLN H H 65 8.938 8.938 9.081 -0.143 19755 2338 1 5 . 1 1 66 66 ALA N N 66 127.534 127.534 124.279 3.255 19755 2339 1 5 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.953 -0.317 19755 2340 1 5 . 1 1 66 66 ALA C C 66 176.740 176.740 176.493 0.247 19755 2341 1 5 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.762 1.039 19755 2342 1 5 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.048 -0.702 19755 2343 1 5 . 1 1 66 66 ALA H H 66 8.808 8.808 8.713 0.095 19755 2344 1 5 . 1 1 67 67 LEU N N 67 124.609 124.609 121.979 2.630 19755 2345 1 5 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.746 0.039 19755 2346 1 5 . 1 1 67 67 LEU C C 67 177.190 177.190 178.283 -1.093 19755 2347 1 5 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.905 -0.320 19755 2348 1 5 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.491 -0.645 19755 2349 1 5 . 1 1 67 67 LEU H H 67 8.541 8.541 8.766 -0.225 19755 2350 1 5 . 1 1 68 68 ASP N N 68 120.713 120.713 120.679 0.034 19755 2351 1 5 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.474 -0.044 19755 2352 1 5 . 1 1 68 68 ASP C C 68 177.319 177.319 176.759 0.560 19755 2353 1 5 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.711 1.379 19755 2354 1 5 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.117 -0.202 19755 2355 1 5 . 1 1 68 68 ASP H H 68 8.539 8.539 8.770 -0.231 19755 2356 1 5 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.427 0.175 19755 2357 1 5 . 1 1 69 69 LYS C C 69 176.282 176.282 174.409 1.873 19755 2358 1 5 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.856 0.961 19755 2359 1 5 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.353 1.210 19755 2360 1 5 . 1 1 70 70 GLY N N 70 110.325 110.325 106.053 4.272 19755 2361 1 5 . 1 1 70 70 GLY C C 70 169.572 169.572 171.387 -1.815 19755 2362 1 5 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.487 -0.122 19755 2363 1 5 . 1 1 70 70 GLY H H 70 6.977 6.977 7.103 -0.126 19755 2364 1 5 . 1 1 71 71 LEU N N 71 116.716 116.716 118.963 -2.247 19755 2365 1 5 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.280 -0.264 19755 2366 1 5 . 1 1 71 71 LEU C C 71 174.299 174.299 174.983 -0.684 19755 2367 1 5 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.051 -0.994 19755 2368 1 5 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.722 -0.830 19755 2369 1 5 . 1 1 71 71 LEU H H 71 8.032 8.032 8.501 -0.469 19755 2370 1 5 . 1 1 72 72 GLU N N 72 120.507 120.507 121.106 -0.599 19755 2371 1 5 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.078 -0.112 19755 2372 1 5 . 1 1 72 72 GLU C C 72 174.588 174.588 175.304 -0.716 19755 2373 1 5 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.441 -0.407 19755 2374 1 5 . 1 1 72 72 GLU CB C 72 33.392 33.392 32.353 1.039 19755 2375 1 5 . 1 1 72 72 GLU H H 72 8.739 8.739 8.673 0.066 19755 2376 1 5 . 1 1 73 73 ILE N N 73 127.226 127.226 123.281 3.945 19755 2377 1 5 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.515 0.011 19755 2378 1 5 . 1 1 73 73 ILE C C 73 173.786 173.786 174.286 -0.500 19755 2379 1 5 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.647 0.781 19755 2380 1 5 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.630 -0.525 19755 2381 1 5 . 1 1 73 73 ILE H H 73 8.755 8.755 8.761 -0.006 19755 2382 1 5 . 1 1 74 74 ILE N N 74 126.107 126.107 127.832 -1.725 19755 2383 1 5 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.660 0.006 19755 2384 1 5 . 1 1 74 74 ILE C C 74 175.304 175.304 174.686 0.618 19755 2385 1 5 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.330 1.478 19755 2386 1 5 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.786 -0.354 19755 2387 1 5 . 1 1 74 74 ILE H H 74 8.691 8.691 9.089 -0.398 19755 2388 1 5 . 1 1 75 75 VAL N N 75 128.967 128.967 122.129 6.838 19755 2389 1 5 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.265 -0.660 19755 2390 1 5 . 1 1 75 75 VAL C C 75 174.187 174.187 174.456 -0.269 19755 2391 1 5 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.996 1.424 19755 2392 1 5 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.348 -1.703 19755 2393 1 5 . 1 1 75 75 VAL H H 75 9.178 9.178 9.184 -0.006 19755 2394 1 5 . 1 1 76 76 THR HA H 76 5.743 5.743 5.015 0.728 19755 2395 1 5 . 1 1 76 76 THR CA C 76 59.957 59.957 59.790 0.167 19755 2396 1 5 . 1 1 76 76 THR CB C 76 71.833 71.833 72.277 -0.444 19755 2397 1 5 . 1 1 77 77 LYS N N 77 124.204 124.204 120.379 3.825 19755 2398 1 5 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.863 -0.275 19755 2399 1 5 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.264 1.487 19755 2400 1 5 . 1 1 77 77 LYS CB C 77 33.947 33.947 36.278 -2.331 19755 2401 1 5 . 1 1 77 77 LYS H H 77 8.688 8.688 8.191 0.497 19755 2402 1 5 . 1 1 78 78 ALA N N 78 125.102 125.102 124.151 0.951 19755 2403 1 5 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.093 -0.117 19755 2404 1 5 . 1 1 78 78 ALA C C 78 176.776 176.776 177.056 -0.280 19755 2405 1 5 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.498 -0.067 19755 2406 1 5 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.389 0.153 19755 2407 1 5 . 1 1 78 78 ALA H H 78 8.137 8.137 8.532 -0.395 19755 2408 1 5 . 1 1 79 79 GLN HA H 79 4.085 4.085 3.442 0.643 19755 2409 1 5 . 1 1 79 79 GLN CA C 79 55.540 55.540 55.224 0.316 19755 2410 1 5 . 1 1 79 79 GLN CB C 79 29.617 29.617 29.261 0.356 19755 2411 1 5 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.682 -0.387 19755 2412 1 5 . 1 1 80 80 LEU CA C 80 55.034 55.034 54.263 0.771 19755 2413 1 5 . 1 1 80 80 LEU CB C 80 42.320 42.320 41.939 0.381 19755 2414 1 5 . 1 1 81 81 SER N N 81 116.580 116.580 116.272 0.308 19755 2415 1 5 . 1 1 81 81 SER HA H 81 4.291 4.291 4.159 0.132 19755 2416 1 5 . 1 1 81 81 SER C C 81 174.770 174.770 176.039 -1.269 19755 2417 1 5 . 1 1 81 81 SER CA C 81 58.674 58.674 60.357 -1.683 19755 2418 1 5 . 1 1 81 81 SER CB C 81 63.931 63.931 62.804 1.127 19755 2419 1 5 . 1 1 81 81 SER H H 81 8.214 8.214 8.588 -0.374 19755 2420 1 5 . 1 1 82 82 LYS N N 82 122.968 122.968 122.165 0.803 19755 2421 1 5 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.011 0.272 19755 2422 1 5 . 1 1 82 82 LYS C C 82 176.222 176.222 178.747 -2.525 19755 2423 1 5 . 1 1 82 82 LYS CA C 82 56.542 56.542 59.096 -2.554 19755 2424 1 5 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.084 0.857 19755 2425 1 5 . 1 1 82 82 LYS H H 82 8.255 8.255 8.231 0.024 19755 2426 1 5 . 1 1 83 83 ASP N N 83 120.305 120.305 117.580 2.725 19755 2427 1 5 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.465 0.081 19755 2428 1 5 . 1 1 83 83 ASP C C 83 176.527 176.527 176.952 -0.425 19755 2429 1 5 . 1 1 83 83 ASP CA C 83 54.864 54.864 56.177 -1.313 19755 2430 1 5 . 1 1 83 83 ASP CB C 83 41.156 41.156 40.736 0.420 19755 2431 1 5 . 1 1 83 83 ASP H H 83 8.158 8.158 8.036 0.122 19755 2432 1 5 . 1 1 84 84 LEU N N 84 121.499 121.499 116.142 5.357 19755 2433 1 5 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.434 -0.251 19755 2434 1 5 . 1 1 84 84 LEU C C 84 177.585 177.585 177.229 0.356 19755 2435 1 5 . 1 1 84 84 LEU CA C 84 56.042 56.042 55.238 0.804 19755 2436 1 5 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.248 -0.869 19755 2437 1 5 . 1 1 84 84 LEU H H 84 7.955 7.955 7.534 0.421 19755 2438 1 5 . 1 1 85 85 ASP N N 85 119.668 119.668 119.040 0.628 19755 2439 1 5 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.502 -0.002 19755 2440 1 5 . 1 1 85 85 ASP C C 85 176.445 176.445 176.704 -0.259 19755 2441 1 5 . 1 1 85 85 ASP CA C 85 55.143 55.143 56.222 -1.079 19755 2442 1 5 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.778 -0.662 19755 2443 1 5 . 1 1 85 85 ASP H H 85 8.207 8.207 8.379 -0.172 19755 2444 1 5 . 1 1 86 86 LYS N N 86 119.760 119.760 119.471 0.289 19755 2445 1 5 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.486 -0.233 19755 2446 1 5 . 1 1 86 86 LYS C C 86 176.336 176.336 176.155 0.181 19755 2447 1 5 . 1 1 86 86 LYS CA C 86 56.519 56.519 54.417 2.102 19755 2448 1 5 . 1 1 86 86 LYS CB C 86 33.072 33.072 33.629 -0.557 19755 2449 1 5 . 1 1 86 86 LYS H H 86 7.843 7.843 7.801 0.042 19755 2450 1 5 . 1 1 87 87 LEU N N 87 122.086 122.086 121.288 0.798 19755 2451 1 5 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.340 -0.031 19755 2452 1 5 . 1 1 87 87 LEU C C 87 176.952 176.952 177.176 -0.224 19755 2453 1 5 . 1 1 87 87 LEU CA C 87 55.369 55.369 54.933 0.436 19755 2454 1 5 . 1 1 87 87 LEU CB C 87 42.407 42.407 41.843 0.564 19755 2455 1 5 . 1 1 87 87 LEU H H 87 8.008 8.008 8.222 -0.214 19755 2456 1 5 . 1 1 88 88 VAL N N 88 122.409 122.409 120.417 1.992 19755 2457 1 5 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.716 -0.342 19755 2458 1 5 . 1 1 88 88 VAL C C 88 174.225 174.225 174.425 -0.200 19755 2459 1 5 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.169 0.823 19755 2460 1 5 . 1 1 88 88 VAL CB C 88 32.946 32.946 32.621 0.325 19755 2461 1 5 . 1 1 88 88 VAL H H 88 7.919 7.919 8.131 -0.212 19755 2462 1 5 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.673 -0.303 19755 2463 1 5 . 1 1 89 89 PRO C C 89 176.035 176.035 176.630 -0.595 19755 2464 1 5 . 1 1 89 89 PRO CA C 89 63.592 63.592 62.673 0.919 19755 2465 1 5 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.316 -0.098 19755 2466 1 6 . 1 1 2 2 GLU N N 2 123.952 123.952 124.790 -0.838 19755 2467 1 6 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.803 -0.122 19755 2468 1 6 . 1 1 2 2 GLU C C 2 174.704 174.704 174.662 0.042 19755 2469 1 6 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.788 0.078 19755 2470 1 6 . 1 1 2 2 GLU CB C 2 32.406 32.406 34.117 -1.711 19755 2471 1 6 . 1 1 2 2 GLU H H 2 8.571 8.571 8.907 -0.336 19755 2472 1 6 . 1 1 3 3 ILE N N 3 121.558 121.558 122.957 -1.399 19755 2473 1 6 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.969 -0.257 19755 2474 1 6 . 1 1 3 3 ILE C C 3 174.736 174.736 175.562 -0.826 19755 2475 1 6 . 1 1 3 3 ILE CA C 3 60.277 60.277 59.058 1.219 19755 2476 1 6 . 1 1 3 3 ILE CB C 3 40.861 40.861 40.425 0.436 19755 2477 1 6 . 1 1 3 3 ILE H H 3 8.565 8.565 8.584 -0.019 19755 2478 1 6 . 1 1 4 4 GLU N N 4 126.319 126.319 125.535 0.784 19755 2479 1 6 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.660 -0.099 19755 2480 1 6 . 1 1 4 4 GLU C C 4 174.708 174.708 174.470 0.238 19755 2481 1 6 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.644 0.584 19755 2482 1 6 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.794 -0.785 19755 2483 1 6 . 1 1 4 4 GLU H H 4 9.153 9.153 9.069 0.084 19755 2484 1 6 . 1 1 5 5 ARG N N 5 127.727 127.727 125.830 1.897 19755 2485 1 6 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.652 -0.092 19755 2486 1 6 . 1 1 5 5 ARG C C 5 175.807 175.807 176.322 -0.515 19755 2487 1 6 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.608 0.515 19755 2488 1 6 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.708 -0.055 19755 2489 1 6 . 1 1 5 5 ARG H H 5 9.002 9.002 8.806 0.196 19755 2490 1 6 . 1 1 6 6 ILE N N 6 129.149 129.149 126.149 3.000 19755 2491 1 6 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.794 0.110 19755 2492 1 6 . 1 1 6 6 ILE C C 6 176.468 176.468 176.530 -0.062 19755 2493 1 6 . 1 1 6 6 ILE CA C 6 62.971 62.971 63.038 -0.067 19755 2494 1 6 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.690 0.472 19755 2495 1 6 . 1 1 6 6 ILE H H 6 8.030 8.030 8.427 -0.397 19755 2496 1 6 . 1 1 7 7 ASN N N 7 112.808 112.808 115.853 -3.045 19755 2497 1 6 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.789 -0.230 19755 2498 1 6 . 1 1 7 7 ASN C C 7 175.254 175.254 173.725 1.529 19755 2499 1 6 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.833 1.020 19755 2500 1 6 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.211 -0.936 19755 2501 1 6 . 1 1 7 7 ASN H H 7 8.147 8.147 7.693 0.454 19755 2502 1 6 . 1 1 8 8 GLU N N 8 121.087 121.087 116.998 4.089 19755 2503 1 6 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.167 -0.117 19755 2504 1 6 . 1 1 8 8 GLU C C 8 176.486 176.486 175.868 0.618 19755 2505 1 6 . 1 1 8 8 GLU CA C 8 59.802 59.802 56.921 2.881 19755 2506 1 6 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.039 0.412 19755 2507 1 6 . 1 1 8 8 GLU H H 8 8.770 8.770 8.551 0.219 19755 2508 1 6 . 1 1 9 9 HIS N N 9 113.719 113.719 115.000 -1.281 19755 2509 1 6 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.817 0.148 19755 2510 1 6 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.365 -0.560 19755 2511 1 6 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.413 0.570 19755 2512 1 6 . 1 1 9 9 HIS H H 9 7.921 7.921 8.195 -0.274 19755 2513 1 6 . 1 1 10 10 THR N N 10 116.218 116.218 118.928 -2.710 19755 2514 1 6 . 1 1 10 10 THR HA H 10 5.736 5.736 4.775 0.961 19755 2515 1 6 . 1 1 10 10 THR C C 10 173.396 173.396 173.966 -0.570 19755 2516 1 6 . 1 1 10 10 THR CA C 10 62.820 62.820 64.264 -1.444 19755 2517 1 6 . 1 1 10 10 THR CB C 10 71.465 71.465 69.433 2.032 19755 2518 1 6 . 1 1 10 10 THR H H 10 7.349 7.349 8.866 -1.517 19755 2519 1 6 . 1 1 11 11 VAL N N 11 124.880 124.880 120.811 4.069 19755 2520 1 6 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.007 -0.150 19755 2521 1 6 . 1 1 11 11 VAL C C 11 172.156 172.156 173.733 -1.577 19755 2522 1 6 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.322 0.554 19755 2523 1 6 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.830 0.156 19755 2524 1 6 . 1 1 11 11 VAL H H 11 9.043 9.043 8.751 0.292 19755 2525 1 6 . 1 1 12 12 LYS N N 12 124.164 124.164 119.092 5.072 19755 2526 1 6 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.457 0.127 19755 2527 1 6 . 1 1 12 12 LYS C C 12 173.380 173.380 175.036 -1.656 19755 2528 1 6 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.632 -0.427 19755 2529 1 6 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.769 0.688 19755 2530 1 6 . 1 1 12 12 LYS H H 12 8.884 8.884 8.292 0.592 19755 2531 1 6 . 1 1 13 13 PHE N N 13 124.228 124.228 114.212 10.016 19755 2532 1 6 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.333 -0.005 19755 2533 1 6 . 1 1 13 13 PHE C C 13 172.237 172.237 172.794 -0.557 19755 2534 1 6 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.016 -0.030 19755 2535 1 6 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.346 -0.430 19755 2536 1 6 . 1 1 13 13 PHE H H 13 8.989 8.989 8.879 0.110 19755 2537 1 6 . 1 1 14 14 TYR N N 14 121.263 121.263 121.787 -0.524 19755 2538 1 6 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.445 -0.058 19755 2539 1 6 . 1 1 14 14 TYR C C 14 174.713 174.713 173.439 1.274 19755 2540 1 6 . 1 1 14 14 TYR CA C 14 55.953 55.953 56.055 -0.102 19755 2541 1 6 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.196 -0.688 19755 2542 1 6 . 1 1 14 14 TYR H H 14 8.670 8.670 9.056 -0.386 19755 2543 1 6 . 1 1 15 15 MET N N 15 124.869 124.869 128.279 -3.410 19755 2544 1 6 . 1 1 15 15 MET HA H 15 4.417 4.417 4.803 -0.386 19755 2545 1 6 . 1 1 15 15 MET C C 15 173.614 173.614 173.873 -0.259 19755 2546 1 6 . 1 1 15 15 MET CA C 15 54.305 54.305 53.856 0.449 19755 2547 1 6 . 1 1 15 15 MET CB C 15 37.439 37.439 35.983 1.456 19755 2548 1 6 . 1 1 15 15 MET H H 15 7.927 7.927 8.763 -0.836 19755 2549 1 6 . 1 1 16 16 SER N N 16 120.626 120.626 123.366 -2.740 19755 2550 1 6 . 1 1 16 16 SER HA H 16 4.396 4.396 4.344 0.052 19755 2551 1 6 . 1 1 16 16 SER C C 16 175.508 175.508 175.423 0.085 19755 2552 1 6 . 1 1 16 16 SER CA C 16 57.637 57.637 58.101 -0.464 19755 2553 1 6 . 1 1 16 16 SER CB C 16 65.033 65.033 64.179 0.854 19755 2554 1 6 . 1 1 16 16 SER H H 16 9.061 9.061 8.805 0.256 19755 2555 1 6 . 1 1 17 17 TYR N N 17 119.917 119.917 123.359 -3.442 19755 2556 1 6 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.292 0.068 19755 2557 1 6 . 1 1 17 17 TYR C C 17 178.684 178.684 178.117 0.567 19755 2558 1 6 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.103 1.853 19755 2559 1 6 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.647 -0.658 19755 2560 1 6 . 1 1 17 17 TYR H H 17 8.411 8.411 8.468 -0.057 19755 2561 1 6 . 1 1 18 18 GLY N N 18 107.011 107.011 105.998 1.013 19755 2562 1 6 . 1 1 18 18 GLY C C 18 175.454 175.454 175.959 -0.505 19755 2563 1 6 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.708 0.738 19755 2564 1 6 . 1 1 18 18 GLY H H 18 8.534 8.534 8.903 -0.369 19755 2565 1 6 . 1 1 19 19 ASP N N 19 122.947 122.947 122.816 0.131 19755 2566 1 6 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.538 -0.146 19755 2567 1 6 . 1 1 19 19 ASP C C 19 179.020 179.020 178.805 0.215 19755 2568 1 6 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.280 0.163 19755 2569 1 6 . 1 1 19 19 ASP CB C 19 40.914 40.914 40.914 -0.000 19755 2570 1 6 . 1 1 19 19 ASP H H 19 7.788 7.788 7.661 0.127 19755 2571 1 6 . 1 1 20 20 ILE N N 20 119.114 119.114 121.250 -2.136 19755 2572 1 6 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.748 -0.220 19755 2573 1 6 . 1 1 20 20 ILE C C 20 177.939 177.939 177.714 0.225 19755 2574 1 6 . 1 1 20 20 ILE CA C 20 66.310 66.310 65.757 0.553 19755 2575 1 6 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.300 0.586 19755 2576 1 6 . 1 1 20 20 ILE H H 20 7.762 7.762 7.527 0.235 19755 2577 1 6 . 1 1 21 21 GLU N N 21 119.999 119.999 121.011 -1.012 19755 2578 1 6 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.227 0.355 19755 2579 1 6 . 1 1 21 21 GLU C C 21 181.888 181.888 178.551 3.337 19755 2580 1 6 . 1 1 21 21 GLU CA C 21 59.207 59.207 58.886 0.321 19755 2581 1 6 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.245 0.169 19755 2582 1 6 . 1 1 21 21 GLU H H 21 8.113 8.113 8.259 -0.146 19755 2583 1 6 . 1 1 22 22 ASP N N 22 122.667 122.667 119.021 3.646 19755 2584 1 6 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.478 -0.004 19755 2585 1 6 . 1 1 22 22 ASP C C 22 178.184 178.184 178.527 -0.343 19755 2586 1 6 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.398 0.937 19755 2587 1 6 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.033 -0.166 19755 2588 1 6 . 1 1 22 22 ASP H H 22 8.699 8.699 7.876 0.823 19755 2589 1 6 . 1 1 23 23 ARG N N 23 116.862 116.862 117.420 -0.558 19755 2590 1 6 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.350 -0.006 19755 2591 1 6 . 1 1 23 23 ARG C C 23 176.101 176.101 177.004 -0.903 19755 2592 1 6 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.694 -0.042 19755 2593 1 6 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.723 0.074 19755 2594 1 6 . 1 1 23 23 ARG H H 23 7.380 7.380 7.822 -0.442 19755 2595 1 6 . 1 1 24 24 GLY N N 24 106.318 106.318 105.738 0.580 19755 2596 1 6 . 1 1 24 24 GLY C C 24 174.117 174.117 174.592 -0.475 19755 2597 1 6 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.273 0.220 19755 2598 1 6 . 1 1 24 24 GLY H H 24 8.004 8.004 7.897 0.107 19755 2599 1 6 . 1 1 25 25 PHE N N 25 118.274 118.274 120.070 -1.796 19755 2600 1 6 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.701 -0.079 19755 2601 1 6 . 1 1 25 25 PHE C C 25 174.127 174.127 174.757 -0.630 19755 2602 1 6 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.176 -0.246 19755 2603 1 6 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.103 1.768 19755 2604 1 6 . 1 1 25 25 PHE H H 25 7.550 7.550 8.284 -0.734 19755 2605 1 6 . 1 1 26 26 ASP N N 26 121.320 121.320 118.168 3.152 19755 2606 1 6 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.954 -0.060 19755 2607 1 6 . 1 1 26 26 ASP C C 26 177.370 177.370 176.827 0.543 19755 2608 1 6 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.434 0.673 19755 2609 1 6 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.737 0.329 19755 2610 1 6 . 1 1 26 26 ASP H H 26 8.891 8.891 8.394 0.497 19755 2611 1 6 . 1 1 27 27 ARG N N 27 124.100 124.100 123.103 0.997 19755 2612 1 6 . 1 1 27 27 ARG HA H 27 3.842 3.842 4.078 -0.236 19755 2613 1 6 . 1 1 27 27 ARG C C 27 176.201 176.201 177.275 -1.074 19755 2614 1 6 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.484 0.373 19755 2615 1 6 . 1 1 27 27 ARG CB C 27 29.675 29.675 29.969 -0.294 19755 2616 1 6 . 1 1 27 27 ARG H H 27 9.033 9.033 8.753 0.280 19755 2617 1 6 . 1 1 28 28 GLU N N 28 118.451 118.451 119.034 -0.583 19755 2618 1 6 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.465 -0.428 19755 2619 1 6 . 1 1 28 28 GLU C C 28 178.889 178.889 179.171 -0.282 19755 2620 1 6 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.082 0.173 19755 2621 1 6 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.227 0.223 19755 2622 1 6 . 1 1 28 28 GLU H H 28 8.362 8.362 8.479 -0.117 19755 2623 1 6 . 1 1 29 29 GLU N N 29 118.302 118.302 120.676 -2.374 19755 2624 1 6 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.212 -0.127 19755 2625 1 6 . 1 1 29 29 GLU C C 29 178.137 178.137 178.815 -0.678 19755 2626 1 6 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.083 -0.123 19755 2627 1 6 . 1 1 29 29 GLU CB C 29 30.452 30.452 28.994 1.458 19755 2628 1 6 . 1 1 29 29 GLU H H 29 7.821 7.821 8.457 -0.636 19755 2629 1 6 . 1 1 30 30 ILE N N 30 115.456 115.456 119.169 -3.713 19755 2630 1 6 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.602 0.025 19755 2631 1 6 . 1 1 30 30 ILE C C 30 176.229 176.229 177.630 -1.401 19755 2632 1 6 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.703 -3.640 19755 2633 1 6 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.755 -0.815 19755 2634 1 6 . 1 1 30 30 ILE H H 30 7.363 7.363 8.412 -1.049 19755 2635 1 6 . 1 1 31 31 TRP N N 31 116.714 116.714 115.838 0.876 19755 2636 1 6 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.314 -0.164 19755 2637 1 6 . 1 1 31 31 TRP C C 31 178.092 178.092 176.669 1.423 19755 2638 1 6 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.104 1.514 19755 2639 1 6 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.107 0.521 19755 2640 1 6 . 1 1 31 31 TRP H H 31 7.410 7.410 7.427 -0.017 19755 2641 1 6 . 1 1 32 32 TYR N N 32 112.769 112.769 114.150 -1.381 19755 2642 1 6 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.729 0.037 19755 2643 1 6 . 1 1 32 32 TYR C C 32 175.767 175.767 175.414 0.353 19755 2644 1 6 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.555 1.077 19755 2645 1 6 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.142 1.080 19755 2646 1 6 . 1 1 32 32 TYR H H 32 7.577 7.577 7.248 0.329 19755 2647 1 6 . 1 1 33 33 ASN N N 33 120.521 120.521 120.200 0.321 19755 2648 1 6 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.153 -0.105 19755 2649 1 6 . 1 1 33 33 ASN C C 33 174.851 174.851 175.115 -0.264 19755 2650 1 6 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.737 -0.417 19755 2651 1 6 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.396 -0.183 19755 2652 1 6 . 1 1 33 33 ASN H H 33 8.364 8.364 7.977 0.387 19755 2653 1 6 . 1 1 34 34 ARG N N 34 126.163 126.163 125.618 0.545 19755 2654 1 6 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.995 0.190 19755 2655 1 6 . 1 1 34 34 ARG C C 34 178.509 178.509 177.625 0.884 19755 2656 1 6 . 1 1 34 34 ARG CA C 34 58.504 58.504 59.474 -0.970 19755 2657 1 6 . 1 1 34 34 ARG CB C 34 29.493 29.493 29.965 -0.472 19755 2658 1 6 . 1 1 34 34 ARG H H 34 8.830 8.830 8.888 -0.058 19755 2659 1 6 . 1 1 35 35 GLU N N 35 118.994 118.994 117.632 1.362 19755 2660 1 6 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.317 -0.157 19755 2661 1 6 . 1 1 35 35 GLU C C 35 179.839 179.839 178.241 1.598 19755 2662 1 6 . 1 1 35 35 GLU CA C 35 60.191 60.191 58.639 1.552 19755 2663 1 6 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.885 0.548 19755 2664 1 6 . 1 1 35 35 GLU H H 35 8.380 8.380 8.801 -0.421 19755 2665 1 6 . 1 1 36 36 ARG N N 36 119.197 119.197 119.818 -0.621 19755 2666 1 6 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.551 -0.151 19755 2667 1 6 . 1 1 36 36 ARG C C 36 178.217 178.217 178.617 -0.400 19755 2668 1 6 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.364 1.030 19755 2669 1 6 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.791 -0.256 19755 2670 1 6 . 1 1 36 36 ARG H H 36 7.686 7.686 7.995 -0.308 19755 2671 1 6 . 1 1 37 37 SER N N 37 114.607 114.607 116.296 -1.689 19755 2672 1 6 . 1 1 37 37 SER HA H 37 3.899 3.899 4.068 -0.169 19755 2673 1 6 . 1 1 37 37 SER C C 37 178.298 178.298 176.206 2.092 19755 2674 1 6 . 1 1 37 37 SER CA C 37 62.455 62.455 61.983 0.472 19755 2675 1 6 . 1 1 37 37 SER CB C 37 62.542 62.542 62.634 -0.092 19755 2676 1 6 . 1 1 37 37 SER H H 37 8.282 8.282 8.277 0.005 19755 2677 1 6 . 1 1 38 38 GLU N N 38 121.063 121.063 122.200 -1.137 19755 2678 1 6 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.203 -0.447 19755 2679 1 6 . 1 1 38 38 GLU C C 38 177.182 177.182 178.740 -1.558 19755 2680 1 6 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.711 0.587 19755 2681 1 6 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.519 -0.245 19755 2682 1 6 . 1 1 38 38 GLU H H 38 7.849 7.849 7.799 0.050 19755 2683 1 6 . 1 1 39 39 GLU N N 39 119.119 119.119 119.023 0.096 19755 2684 1 6 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.180 0.049 19755 2685 1 6 . 1 1 39 39 GLU C C 39 179.781 179.781 178.984 0.797 19755 2686 1 6 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.801 1.371 19755 2687 1 6 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.921 1.138 19755 2688 1 6 . 1 1 39 39 GLU H H 39 7.686 7.686 7.994 -0.308 19755 2689 1 6 . 1 1 40 40 LEU N N 40 120.164 120.164 120.400 -0.236 19755 2690 1 6 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.683 0.009 19755 2691 1 6 . 1 1 40 40 LEU C C 40 177.155 177.155 178.007 -0.852 19755 2692 1 6 . 1 1 40 40 LEU CA C 40 58.264 58.264 57.950 0.314 19755 2693 1 6 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.255 -0.806 19755 2694 1 6 . 1 1 40 40 LEU H H 40 7.739 7.739 7.714 0.025 19755 2695 1 6 . 1 1 41 41 PHE N N 41 118.207 118.207 116.736 1.471 19755 2696 1 6 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.065 -0.260 19755 2697 1 6 . 1 1 41 41 PHE C C 41 176.387 176.387 177.697 -1.310 19755 2698 1 6 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.912 -0.548 19755 2699 1 6 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.191 -0.123 19755 2700 1 6 . 1 1 41 41 PHE H H 41 7.825 7.825 7.290 0.535 19755 2701 1 6 . 1 1 42 42 TRP N N 42 117.448 117.448 118.691 -1.243 19755 2702 1 6 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.184 -0.060 19755 2703 1 6 . 1 1 42 42 TRP C C 42 179.071 179.071 178.486 0.585 19755 2704 1 6 . 1 1 42 42 TRP CA C 42 60.079 60.079 60.995 -0.916 19755 2705 1 6 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.358 0.096 19755 2706 1 6 . 1 1 42 42 TRP H H 42 8.266 8.266 8.782 -0.516 19755 2707 1 6 . 1 1 43 43 GLU N N 43 120.573 120.573 120.064 0.509 19755 2708 1 6 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.012 0.147 19755 2709 1 6 . 1 1 43 43 GLU C C 43 179.556 179.556 178.698 0.858 19755 2710 1 6 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.546 0.635 19755 2711 1 6 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.600 -0.098 19755 2712 1 6 . 1 1 43 43 GLU H H 43 7.918 7.918 7.756 0.162 19755 2713 1 6 . 1 1 44 44 VAL N N 44 119.502 119.502 115.810 3.692 19755 2714 1 6 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.579 -0.134 19755 2715 1 6 . 1 1 44 44 VAL C C 44 178.356 178.356 177.303 1.053 19755 2716 1 6 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.272 1.119 19755 2717 1 6 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.204 0.016 19755 2718 1 6 . 1 1 44 44 VAL H H 44 7.947 7.947 7.309 0.638 19755 2719 1 6 . 1 1 45 45 MET N N 45 117.691 117.691 118.982 -1.291 19755 2720 1 6 . 1 1 45 45 MET HA H 45 4.118 4.118 4.231 -0.113 19755 2721 1 6 . 1 1 45 45 MET C C 45 179.207 179.207 178.326 0.881 19755 2722 1 6 . 1 1 45 45 MET CA C 45 56.677 56.677 56.611 0.066 19755 2723 1 6 . 1 1 45 45 MET CB C 45 31.094 31.094 32.259 -1.165 19755 2724 1 6 . 1 1 45 45 MET H H 45 7.998 7.998 8.172 -0.174 19755 2725 1 6 . 1 1 46 46 ASP N N 46 119.109 119.109 121.193 -2.084 19755 2726 1 6 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.416 0.125 19755 2727 1 6 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.387 -0.445 19755 2728 1 6 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.784 0.644 19755 2729 1 6 . 1 1 46 46 ASP H H 46 7.773 7.773 8.169 -0.396 19755 2730 1 6 . 1 1 47 47 GLU N N 47 118.018 118.018 118.177 -0.159 19755 2731 1 6 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.160 0.008 19755 2732 1 6 . 1 1 47 47 GLU C C 47 177.957 177.957 177.523 0.434 19755 2733 1 6 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.437 -0.460 19755 2734 1 6 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.674 0.729 19755 2735 1 6 . 1 1 47 47 GLU H H 47 7.608 7.608 7.978 -0.370 19755 2736 1 6 . 1 1 48 48 VAL N N 48 115.277 115.277 114.981 0.296 19755 2737 1 6 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.285 -0.180 19755 2738 1 6 . 1 1 48 48 VAL CA C 48 62.377 62.377 62.132 0.245 19755 2739 1 6 . 1 1 48 48 VAL CB C 48 33.866 33.866 33.058 0.808 19755 2740 1 6 . 1 1 48 48 VAL H H 48 7.508 7.508 7.832 -0.324 19755 2741 1 6 . 1 1 49 49 HIS N N 49 121.222 121.222 122.338 -1.116 19755 2742 1 6 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.230 0.381 19755 2743 1 6 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.197 -2.197 19755 2744 1 6 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.101 -0.572 19755 2745 1 6 . 1 1 49 49 HIS H H 49 8.099 8.099 8.153 -0.054 19755 2746 1 6 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.318 -0.096 19755 2747 1 6 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.424 -0.795 19755 2748 1 6 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.517 0.906 19755 2749 1 6 . 1 1 51 51 GLU N N 51 119.589 119.589 115.587 4.002 19755 2750 1 6 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.602 -0.368 19755 2751 1 6 . 1 1 51 51 GLU C C 51 176.279 176.279 175.764 0.515 19755 2752 1 6 . 1 1 51 51 GLU CA C 51 56.547 56.547 56.382 0.165 19755 2753 1 6 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.445 0.136 19755 2754 1 6 . 1 1 51 51 GLU H H 51 8.121 8.121 7.998 0.123 19755 2755 1 6 . 1 1 52 52 GLU N N 52 122.410 122.410 116.881 5.529 19755 2756 1 6 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.096 0.214 19755 2757 1 6 . 1 1 52 52 GLU C C 52 176.127 176.127 177.389 -1.262 19755 2758 1 6 . 1 1 52 52 GLU CA C 52 56.508 56.508 56.362 0.146 19755 2759 1 6 . 1 1 52 52 GLU CB C 52 30.565 30.565 31.756 -1.191 19755 2760 1 6 . 1 1 52 52 GLU H H 52 8.412 8.412 7.661 0.751 19755 2761 1 6 . 1 1 53 53 GLU N N 53 121.407 121.407 120.557 0.850 19755 2762 1 6 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.821 0.473 19755 2763 1 6 . 1 1 53 53 GLU C C 53 176.242 176.242 177.468 -1.226 19755 2764 1 6 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.855 -2.248 19755 2765 1 6 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.807 1.632 19755 2766 1 6 . 1 1 53 53 GLU H H 53 8.361 8.361 8.036 0.325 19755 2767 1 6 . 1 1 54 54 PHE N N 54 121.128 121.128 112.925 8.203 19755 2768 1 6 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.794 -0.200 19755 2769 1 6 . 1 1 54 54 PHE C C 54 176.021 176.021 174.803 1.218 19755 2770 1 6 . 1 1 54 54 PHE CA C 54 57.554 57.554 56.326 1.228 19755 2771 1 6 . 1 1 54 54 PHE CB C 54 40.192 40.192 38.389 1.803 19755 2772 1 6 . 1 1 54 54 PHE H H 54 8.147 8.147 6.976 1.171 19755 2773 1 6 . 1 1 55 55 ALA N N 55 126.124 126.124 122.426 3.698 19755 2774 1 6 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.655 -0.234 19755 2775 1 6 . 1 1 55 55 ALA C C 55 177.391 177.391 178.046 -0.655 19755 2776 1 6 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.542 -0.169 19755 2777 1 6 . 1 1 55 55 ALA CB C 55 19.512 19.512 20.000 -0.488 19755 2778 1 6 . 1 1 55 55 ALA H H 55 8.124 8.124 8.021 0.103 19755 2779 1 6 . 1 1 56 56 VAL N N 56 119.019 119.019 117.974 1.045 19755 2780 1 6 . 1 1 56 56 VAL HA H 56 4.133 4.133 3.879 0.254 19755 2781 1 6 . 1 1 56 56 VAL C C 56 176.128 176.128 176.693 -0.565 19755 2782 1 6 . 1 1 56 56 VAL CA C 56 62.306 62.306 63.431 -1.125 19755 2783 1 6 . 1 1 56 56 VAL CB C 56 33.274 33.274 31.153 2.121 19755 2784 1 6 . 1 1 56 56 VAL H H 56 7.958 7.958 7.950 0.008 19755 2785 1 6 . 1 1 57 57 GLU N N 57 124.588 124.588 118.542 6.046 19755 2786 1 6 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.153 0.342 19755 2787 1 6 . 1 1 57 57 GLU C C 57 176.082 176.082 177.086 -1.004 19755 2788 1 6 . 1 1 57 57 GLU CA C 57 56.056 56.056 57.299 -1.243 19755 2789 1 6 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.231 2.072 19755 2790 1 6 . 1 1 57 57 GLU H H 57 8.413 8.413 8.258 0.155 19755 2791 1 6 . 1 1 58 58 GLY N N 58 110.794 110.794 109.690 1.104 19755 2792 1 6 . 1 1 58 58 GLY C C 58 170.660 170.660 172.617 -1.957 19755 2793 1 6 . 1 1 58 58 GLY CA C 58 44.857 44.857 43.083 1.774 19755 2794 1 6 . 1 1 58 58 GLY H H 58 8.040 8.040 7.769 0.271 19755 2795 1 6 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.390 0.041 19755 2796 1 6 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.729 0.359 19755 2797 1 6 . 1 1 59 59 PRO CB C 59 32.474 32.474 33.068 -0.594 19755 2798 1 6 . 1 1 60 60 LEU N N 60 120.609 120.609 119.177 1.432 19755 2799 1 6 . 1 1 60 60 LEU C C 60 176.392 176.392 174.896 1.496 19755 2800 1 6 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.223 -0.299 19755 2801 1 6 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.468 -0.430 19755 2802 1 6 . 1 1 60 60 LEU H H 60 8.367 8.367 7.942 0.425 19755 2803 1 6 . 1 1 61 61 TRP N N 61 124.050 124.050 124.284 -0.234 19755 2804 1 6 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.886 0.075 19755 2805 1 6 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.786 -0.653 19755 2806 1 6 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.343 -2.477 19755 2807 1 6 . 1 1 61 61 TRP H H 61 9.101 9.101 8.241 0.860 19755 2808 1 6 . 1 1 62 62 ILE N N 62 121.315 121.315 121.599 -0.284 19755 2809 1 6 . 1 1 62 62 ILE C C 62 174.576 174.576 174.998 -0.422 19755 2810 1 6 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.908 0.648 19755 2811 1 6 . 1 1 62 62 ILE CB C 62 40.639 40.639 40.616 0.023 19755 2812 1 6 . 1 1 62 62 ILE H H 62 7.863 7.863 8.434 -0.571 19755 2813 1 6 . 1 1 63 63 GLN N N 63 127.300 127.300 124.671 2.629 19755 2814 1 6 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.915 -0.381 19755 2815 1 6 . 1 1 63 63 GLN C C 63 173.768 173.768 173.428 0.340 19755 2816 1 6 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.853 -0.444 19755 2817 1 6 . 1 1 63 63 GLN CB C 63 30.309 30.309 32.581 -2.272 19755 2818 1 6 . 1 1 63 63 GLN H H 63 8.881 8.881 9.242 -0.361 19755 2819 1 6 . 1 1 64 64 VAL N N 64 123.414 123.414 119.050 4.364 19755 2820 1 6 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.954 -0.277 19755 2821 1 6 . 1 1 64 64 VAL C C 64 174.737 174.737 174.179 0.558 19755 2822 1 6 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.068 0.897 19755 2823 1 6 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.605 -1.185 19755 2824 1 6 . 1 1 64 64 VAL H H 64 8.330 8.330 8.310 0.020 19755 2825 1 6 . 1 1 65 65 GLN N N 65 125.152 125.152 123.768 1.384 19755 2826 1 6 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.679 0.072 19755 2827 1 6 . 1 1 65 65 GLN C C 65 174.043 174.043 174.142 -0.099 19755 2828 1 6 . 1 1 65 65 GLN CA C 65 54.421 54.421 54.111 0.310 19755 2829 1 6 . 1 1 65 65 GLN CB C 65 31.956 31.956 33.058 -1.102 19755 2830 1 6 . 1 1 65 65 GLN H H 65 8.938 8.938 8.869 0.069 19755 2831 1 6 . 1 1 66 66 ALA N N 66 127.534 127.534 125.666 1.868 19755 2832 1 6 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.762 -0.126 19755 2833 1 6 . 1 1 66 66 ALA C C 66 176.740 176.740 176.071 0.669 19755 2834 1 6 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.156 1.645 19755 2835 1 6 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.078 -0.732 19755 2836 1 6 . 1 1 66 66 ALA H H 66 8.808 8.808 8.607 0.201 19755 2837 1 6 . 1 1 67 67 LEU N N 67 124.609 124.609 124.003 0.606 19755 2838 1 6 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.814 -0.029 19755 2839 1 6 . 1 1 67 67 LEU C C 67 177.190 177.190 177.842 -0.652 19755 2840 1 6 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.810 -0.225 19755 2841 1 6 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.406 -0.560 19755 2842 1 6 . 1 1 67 67 LEU H H 67 8.541 8.541 8.831 -0.290 19755 2843 1 6 . 1 1 68 68 ASP N N 68 120.713 120.713 119.888 0.825 19755 2844 1 6 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.459 -0.029 19755 2845 1 6 . 1 1 68 68 ASP C C 68 177.319 177.319 176.935 0.384 19755 2846 1 6 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.663 1.427 19755 2847 1 6 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.068 -0.152 19755 2848 1 6 . 1 1 68 68 ASP H H 68 8.539 8.539 8.637 -0.098 19755 2849 1 6 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.490 0.112 19755 2850 1 6 . 1 1 69 69 LYS C C 69 176.282 176.282 174.329 1.953 19755 2851 1 6 . 1 1 69 69 LYS CA C 69 55.817 55.817 55.010 0.807 19755 2852 1 6 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.731 0.832 19755 2853 1 6 . 1 1 70 70 GLY N N 70 110.325 110.325 106.007 4.318 19755 2854 1 6 . 1 1 70 70 GLY C C 70 169.572 169.572 171.421 -1.849 19755 2855 1 6 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.163 0.202 19755 2856 1 6 . 1 1 70 70 GLY H H 70 6.977 6.977 6.842 0.135 19755 2857 1 6 . 1 1 71 71 LEU N N 71 116.716 116.716 118.796 -2.080 19755 2858 1 6 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.086 -0.070 19755 2859 1 6 . 1 1 71 71 LEU C C 71 174.299 174.299 175.186 -0.887 19755 2860 1 6 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.230 -1.173 19755 2861 1 6 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.902 -1.010 19755 2862 1 6 . 1 1 71 71 LEU H H 71 8.032 8.032 8.505 -0.473 19755 2863 1 6 . 1 1 72 72 GLU N N 72 120.507 120.507 121.680 -1.173 19755 2864 1 6 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.012 -0.046 19755 2865 1 6 . 1 1 72 72 GLU C C 72 174.588 174.588 175.491 -0.903 19755 2866 1 6 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.957 -0.923 19755 2867 1 6 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.838 1.554 19755 2868 1 6 . 1 1 72 72 GLU H H 72 8.739 8.739 8.476 0.263 19755 2869 1 6 . 1 1 73 73 ILE N N 73 127.226 127.226 123.228 3.998 19755 2870 1 6 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.473 0.053 19755 2871 1 6 . 1 1 73 73 ILE C C 73 173.786 173.786 174.260 -0.474 19755 2872 1 6 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.642 0.786 19755 2873 1 6 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.709 -0.604 19755 2874 1 6 . 1 1 73 73 ILE H H 73 8.755 8.755 8.725 0.030 19755 2875 1 6 . 1 1 74 74 ILE N N 74 126.107 126.107 128.207 -2.100 19755 2876 1 6 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.643 0.023 19755 2877 1 6 . 1 1 74 74 ILE C C 74 175.304 175.304 174.369 0.935 19755 2878 1 6 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.490 1.318 19755 2879 1 6 . 1 1 74 74 ILE CB C 74 40.432 40.432 41.066 -0.634 19755 2880 1 6 . 1 1 74 74 ILE H H 74 8.691 8.691 8.916 -0.225 19755 2881 1 6 . 1 1 75 75 VAL N N 75 128.967 128.967 123.279 5.688 19755 2882 1 6 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.277 -0.672 19755 2883 1 6 . 1 1 75 75 VAL C C 75 174.187 174.187 174.452 -0.265 19755 2884 1 6 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.408 2.012 19755 2885 1 6 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.295 -1.650 19755 2886 1 6 . 1 1 75 75 VAL H H 75 9.178 9.178 9.216 -0.038 19755 2887 1 6 . 1 1 76 76 THR HA H 76 5.743 5.743 4.902 0.841 19755 2888 1 6 . 1 1 76 76 THR CA C 76 59.957 59.957 59.937 0.020 19755 2889 1 6 . 1 1 76 76 THR CB C 76 71.833 71.833 71.889 -0.056 19755 2890 1 6 . 1 1 77 77 LYS N N 77 124.204 124.204 119.946 4.258 19755 2891 1 6 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.804 -0.216 19755 2892 1 6 . 1 1 77 77 LYS CA C 77 55.751 55.751 55.010 0.741 19755 2893 1 6 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.465 -1.518 19755 2894 1 6 . 1 1 77 77 LYS H H 77 8.688 8.688 8.515 0.173 19755 2895 1 6 . 1 1 78 78 ALA N N 78 125.102 125.102 123.588 1.514 19755 2896 1 6 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.079 -0.103 19755 2897 1 6 . 1 1 78 78 ALA C C 78 176.776 176.776 177.110 -0.334 19755 2898 1 6 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.972 -0.541 19755 2899 1 6 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.023 0.519 19755 2900 1 6 . 1 1 78 78 ALA H H 78 8.137 8.137 8.325 -0.188 19755 2901 1 6 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.708 -0.623 19755 2902 1 6 . 1 1 79 79 GLN CA C 79 55.540 55.540 54.770 0.770 19755 2903 1 6 . 1 1 79 79 GLN CB C 79 29.617 29.617 31.260 -1.643 19755 2904 1 6 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.664 -0.369 19755 2905 1 6 . 1 1 80 80 LEU CA C 80 55.034 55.034 54.906 0.128 19755 2906 1 6 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.368 -0.048 19755 2907 1 6 . 1 1 81 81 SER N N 81 116.580 116.580 117.749 -1.169 19755 2908 1 6 . 1 1 81 81 SER HA H 81 4.291 4.291 4.487 -0.196 19755 2909 1 6 . 1 1 81 81 SER C C 81 174.770 174.770 174.536 0.234 19755 2910 1 6 . 1 1 81 81 SER CA C 81 58.674 58.674 58.417 0.257 19755 2911 1 6 . 1 1 81 81 SER CB C 81 63.931 63.931 61.895 2.036 19755 2912 1 6 . 1 1 81 81 SER H H 81 8.214 8.214 8.378 -0.164 19755 2913 1 6 . 1 1 82 82 LYS N N 82 122.968 122.968 120.064 2.904 19755 2914 1 6 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.100 0.183 19755 2915 1 6 . 1 1 82 82 LYS C C 82 176.222 176.222 176.771 -0.549 19755 2916 1 6 . 1 1 82 82 LYS CA C 82 56.542 56.542 57.846 -1.304 19755 2917 1 6 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.656 0.285 19755 2918 1 6 . 1 1 82 82 LYS H H 82 8.255 8.255 7.937 0.318 19755 2919 1 6 . 1 1 83 83 ASP N N 83 120.305 120.305 116.884 3.421 19755 2920 1 6 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.672 -0.126 19755 2921 1 6 . 1 1 83 83 ASP C C 83 176.527 176.527 174.127 2.400 19755 2922 1 6 . 1 1 83 83 ASP CA C 83 54.864 54.864 53.413 1.451 19755 2923 1 6 . 1 1 83 83 ASP CB C 83 41.156 41.156 43.953 -2.797 19755 2924 1 6 . 1 1 83 83 ASP H H 83 8.158 8.158 7.667 0.491 19755 2925 1 6 . 1 1 84 84 LEU N N 84 121.499 121.499 122.571 -1.072 19755 2926 1 6 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.498 -0.315 19755 2927 1 6 . 1 1 84 84 LEU C C 84 177.585 177.585 176.549 1.036 19755 2928 1 6 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.592 -0.550 19755 2929 1 6 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.666 -1.287 19755 2930 1 6 . 1 1 84 84 LEU H H 84 7.955 7.955 8.260 -0.305 19755 2931 1 6 . 1 1 85 85 ASP N N 85 119.668 119.668 120.415 -0.747 19755 2932 1 6 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.491 0.009 19755 2933 1 6 . 1 1 85 85 ASP C C 85 176.445 176.445 176.632 -0.187 19755 2934 1 6 . 1 1 85 85 ASP CA C 85 55.143 55.143 55.661 -0.518 19755 2935 1 6 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.444 -0.328 19755 2936 1 6 . 1 1 85 85 ASP H H 85 8.207 8.207 8.469 -0.262 19755 2937 1 6 . 1 1 86 86 LYS N N 86 119.760 119.760 119.016 0.744 19755 2938 1 6 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.519 -0.266 19755 2939 1 6 . 1 1 86 86 LYS C C 86 176.336 176.336 174.612 1.724 19755 2940 1 6 . 1 1 86 86 LYS CA C 86 56.519 56.519 55.918 0.601 19755 2941 1 6 . 1 1 86 86 LYS CB C 86 33.072 33.072 33.818 -0.746 19755 2942 1 6 . 1 1 86 86 LYS H H 86 7.843 7.843 7.971 -0.128 19755 2943 1 6 . 1 1 87 87 LEU N N 87 122.086 122.086 120.411 1.675 19755 2944 1 6 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.702 -0.393 19755 2945 1 6 . 1 1 87 87 LEU C C 87 176.952 176.952 175.179 1.773 19755 2946 1 6 . 1 1 87 87 LEU CA C 87 55.369 55.369 53.828 1.541 19755 2947 1 6 . 1 1 87 87 LEU CB C 87 42.407 42.407 44.247 -1.840 19755 2948 1 6 . 1 1 87 87 LEU H H 87 8.008 8.008 7.763 0.245 19755 2949 1 6 . 1 1 88 88 VAL N N 88 122.409 122.409 120.478 1.931 19755 2950 1 6 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.719 -0.345 19755 2951 1 6 . 1 1 88 88 VAL C C 88 174.225 174.225 173.886 0.339 19755 2952 1 6 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.443 0.549 19755 2953 1 6 . 1 1 88 88 VAL CB C 88 32.946 32.946 32.047 0.899 19755 2954 1 6 . 1 1 88 88 VAL H H 88 7.919 7.919 8.284 -0.365 19755 2955 1 6 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.618 -0.248 19755 2956 1 6 . 1 1 89 89 PRO C C 89 176.035 176.035 176.803 -0.768 19755 2957 1 6 . 1 1 89 89 PRO CA C 89 63.592 63.592 62.611 0.981 19755 2958 1 6 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.321 -0.103 19755 2959 1 7 . 1 1 2 2 GLU N N 2 123.952 123.952 120.987 2.965 19755 2960 1 7 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.866 -0.185 19755 2961 1 7 . 1 1 2 2 GLU C C 2 174.704 174.704 174.720 -0.016 19755 2962 1 7 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.557 0.309 19755 2963 1 7 . 1 1 2 2 GLU CB C 2 32.406 32.406 33.021 -0.615 19755 2964 1 7 . 1 1 2 2 GLU H H 2 8.571 8.571 8.480 0.091 19755 2965 1 7 . 1 1 3 3 ILE N N 3 121.558 121.558 122.947 -1.389 19755 2966 1 7 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.883 -0.171 19755 2967 1 7 . 1 1 3 3 ILE C C 3 174.736 174.736 175.826 -1.090 19755 2968 1 7 . 1 1 3 3 ILE CA C 3 60.277 60.277 58.640 1.637 19755 2969 1 7 . 1 1 3 3 ILE CB C 3 40.861 40.861 40.928 -0.067 19755 2970 1 7 . 1 1 3 3 ILE H H 3 8.565 8.565 8.517 0.048 19755 2971 1 7 . 1 1 4 4 GLU N N 4 126.319 126.319 124.991 1.328 19755 2972 1 7 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.663 -0.102 19755 2973 1 7 . 1 1 4 4 GLU C C 4 174.708 174.708 174.471 0.237 19755 2974 1 7 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.568 0.660 19755 2975 1 7 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.823 -0.814 19755 2976 1 7 . 1 1 4 4 GLU H H 4 9.153 9.153 9.092 0.061 19755 2977 1 7 . 1 1 5 5 ARG N N 5 127.727 127.727 125.797 1.930 19755 2978 1 7 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.634 -0.074 19755 2979 1 7 . 1 1 5 5 ARG C C 5 175.807 175.807 176.344 -0.537 19755 2980 1 7 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.639 0.484 19755 2981 1 7 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.661 -0.008 19755 2982 1 7 . 1 1 5 5 ARG H H 5 9.002 9.002 8.806 0.196 19755 2983 1 7 . 1 1 6 6 ILE N N 6 129.149 129.149 126.206 2.943 19755 2984 1 7 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.830 0.074 19755 2985 1 7 . 1 1 6 6 ILE C C 6 176.468 176.468 176.564 -0.096 19755 2986 1 7 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.568 0.403 19755 2987 1 7 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.728 0.434 19755 2988 1 7 . 1 1 6 6 ILE H H 6 8.030 8.030 8.314 -0.284 19755 2989 1 7 . 1 1 7 7 ASN N N 7 112.808 112.808 116.416 -3.608 19755 2990 1 7 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.733 -0.174 19755 2991 1 7 . 1 1 7 7 ASN C C 7 175.254 175.254 173.940 1.314 19755 2992 1 7 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.346 1.507 19755 2993 1 7 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.499 -1.224 19755 2994 1 7 . 1 1 7 7 ASN H H 7 8.147 8.147 7.751 0.396 19755 2995 1 7 . 1 1 8 8 GLU N N 8 121.087 121.087 118.446 2.641 19755 2996 1 7 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.089 -0.039 19755 2997 1 7 . 1 1 8 8 GLU C C 8 176.486 176.486 175.999 0.487 19755 2998 1 7 . 1 1 8 8 GLU CA C 8 59.802 59.802 57.045 2.756 19755 2999 1 7 . 1 1 8 8 GLU CB C 8 29.451 29.451 28.865 0.586 19755 3000 1 7 . 1 1 8 8 GLU H H 8 8.770 8.770 8.607 0.163 19755 3001 1 7 . 1 1 9 9 HIS N N 9 113.719 113.719 115.270 -1.551 19755 3002 1 7 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.816 0.149 19755 3003 1 7 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.522 -0.717 19755 3004 1 7 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.301 0.683 19755 3005 1 7 . 1 1 9 9 HIS H H 9 7.921 7.921 8.200 -0.279 19755 3006 1 7 . 1 1 10 10 THR N N 10 116.218 116.218 118.626 -2.408 19755 3007 1 7 . 1 1 10 10 THR HA H 10 5.736 5.736 4.754 0.982 19755 3008 1 7 . 1 1 10 10 THR C C 10 173.396 173.396 173.917 -0.521 19755 3009 1 7 . 1 1 10 10 THR CA C 10 62.820 62.820 64.325 -1.505 19755 3010 1 7 . 1 1 10 10 THR CB C 10 71.465 71.465 69.570 1.895 19755 3011 1 7 . 1 1 10 10 THR H H 10 7.349 7.349 8.861 -1.512 19755 3012 1 7 . 1 1 11 11 VAL N N 11 124.880 124.880 119.440 5.440 19755 3013 1 7 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.060 -0.203 19755 3014 1 7 . 1 1 11 11 VAL C C 11 172.156 172.156 173.688 -1.532 19755 3015 1 7 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.157 0.719 19755 3016 1 7 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.606 0.380 19755 3017 1 7 . 1 1 11 11 VAL H H 11 9.043 9.043 8.778 0.265 19755 3018 1 7 . 1 1 12 12 LYS N N 12 124.164 124.164 119.600 4.564 19755 3019 1 7 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.441 0.143 19755 3020 1 7 . 1 1 12 12 LYS C C 12 173.380 173.380 175.018 -1.638 19755 3021 1 7 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.470 -0.265 19755 3022 1 7 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.828 0.629 19755 3023 1 7 . 1 1 12 12 LYS H H 12 8.884 8.884 8.399 0.485 19755 3024 1 7 . 1 1 13 13 PHE N N 13 124.228 124.228 114.351 9.877 19755 3025 1 7 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.366 -0.038 19755 3026 1 7 . 1 1 13 13 PHE C C 13 172.237 172.237 172.772 -0.535 19755 3027 1 7 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.108 -0.122 19755 3028 1 7 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.269 -0.353 19755 3029 1 7 . 1 1 13 13 PHE H H 13 8.989 8.989 8.917 0.072 19755 3030 1 7 . 1 1 14 14 TYR N N 14 121.263 121.263 121.245 0.018 19755 3031 1 7 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.506 -0.119 19755 3032 1 7 . 1 1 14 14 TYR C C 14 174.713 174.713 173.457 1.256 19755 3033 1 7 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.827 0.126 19755 3034 1 7 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.666 -1.158 19755 3035 1 7 . 1 1 14 14 TYR H H 14 8.670 8.670 9.154 -0.484 19755 3036 1 7 . 1 1 15 15 MET N N 15 124.869 124.869 126.409 -1.540 19755 3037 1 7 . 1 1 15 15 MET HA H 15 4.417 4.417 4.644 -0.227 19755 3038 1 7 . 1 1 15 15 MET C C 15 173.614 173.614 173.857 -0.243 19755 3039 1 7 . 1 1 15 15 MET CA C 15 54.305 54.305 54.589 -0.284 19755 3040 1 7 . 1 1 15 15 MET CB C 15 37.439 37.439 35.314 2.125 19755 3041 1 7 . 1 1 15 15 MET H H 15 7.927 7.927 8.488 -0.561 19755 3042 1 7 . 1 1 16 16 SER N N 16 120.626 120.626 123.223 -2.597 19755 3043 1 7 . 1 1 16 16 SER HA H 16 4.396 4.396 4.240 0.156 19755 3044 1 7 . 1 1 16 16 SER C C 16 175.508 175.508 175.987 -0.479 19755 3045 1 7 . 1 1 16 16 SER CA C 16 57.637 57.637 58.705 -1.068 19755 3046 1 7 . 1 1 16 16 SER CB C 16 65.033 65.033 63.733 1.300 19755 3047 1 7 . 1 1 16 16 SER H H 16 9.061 9.061 8.534 0.527 19755 3048 1 7 . 1 1 17 17 TYR N N 17 119.917 119.917 124.042 -4.125 19755 3049 1 7 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.298 0.062 19755 3050 1 7 . 1 1 17 17 TYR C C 17 178.684 178.684 178.046 0.638 19755 3051 1 7 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.444 1.512 19755 3052 1 7 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.649 -0.660 19755 3053 1 7 . 1 1 17 17 TYR H H 17 8.411 8.411 8.542 -0.131 19755 3054 1 7 . 1 1 18 18 GLY N N 18 107.011 107.011 105.100 1.911 19755 3055 1 7 . 1 1 18 18 GLY C C 18 175.454 175.454 175.608 -0.154 19755 3056 1 7 . 1 1 18 18 GLY CA C 18 47.446 47.446 45.511 1.935 19755 3057 1 7 . 1 1 18 18 GLY H H 18 8.534 8.534 8.650 -0.116 19755 3058 1 7 . 1 1 19 19 ASP N N 19 122.947 122.947 123.156 -0.209 19755 3059 1 7 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.434 -0.042 19755 3060 1 7 . 1 1 19 19 ASP C C 19 179.020 179.020 178.101 0.919 19755 3061 1 7 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.521 -0.078 19755 3062 1 7 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.049 -0.135 19755 3063 1 7 . 1 1 19 19 ASP H H 19 7.788 7.788 7.914 -0.126 19755 3064 1 7 . 1 1 20 20 ILE N N 20 119.114 119.114 119.452 -0.338 19755 3065 1 7 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.629 -0.101 19755 3066 1 7 . 1 1 20 20 ILE C C 20 177.939 177.939 177.508 0.431 19755 3067 1 7 . 1 1 20 20 ILE CA C 20 66.310 66.310 65.363 0.947 19755 3068 1 7 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.236 0.650 19755 3069 1 7 . 1 1 20 20 ILE H H 20 7.762 7.762 7.344 0.418 19755 3070 1 7 . 1 1 21 21 GLU N N 21 119.999 119.999 120.079 -0.080 19755 3071 1 7 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.338 0.244 19755 3072 1 7 . 1 1 21 21 GLU C C 21 181.888 181.888 179.414 2.474 19755 3073 1 7 . 1 1 21 21 GLU CA C 21 59.207 59.207 58.894 0.313 19755 3074 1 7 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.304 0.110 19755 3075 1 7 . 1 1 21 21 GLU H H 21 8.113 8.113 8.256 -0.143 19755 3076 1 7 . 1 1 22 22 ASP N N 22 122.667 122.667 121.530 1.137 19755 3077 1 7 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.491 -0.017 19755 3078 1 7 . 1 1 22 22 ASP C C 22 178.184 178.184 178.153 0.031 19755 3079 1 7 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.594 0.741 19755 3080 1 7 . 1 1 22 22 ASP CB C 22 40.867 40.867 40.905 -0.038 19755 3081 1 7 . 1 1 22 22 ASP H H 22 8.699 8.699 8.095 0.604 19755 3082 1 7 . 1 1 23 23 ARG N N 23 116.862 116.862 117.346 -0.484 19755 3083 1 7 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.338 0.006 19755 3084 1 7 . 1 1 23 23 ARG C C 23 176.101 176.101 177.305 -1.204 19755 3085 1 7 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.791 -0.139 19755 3086 1 7 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.633 0.165 19755 3087 1 7 . 1 1 23 23 ARG H H 23 7.380 7.380 7.739 -0.359 19755 3088 1 7 . 1 1 24 24 GLY N N 24 106.318 106.318 105.659 0.659 19755 3089 1 7 . 1 1 24 24 GLY C C 24 174.117 174.117 174.813 -0.696 19755 3090 1 7 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.337 0.157 19755 3091 1 7 . 1 1 24 24 GLY H H 24 8.004 8.004 7.934 0.070 19755 3092 1 7 . 1 1 25 25 PHE N N 25 118.274 118.274 120.318 -2.044 19755 3093 1 7 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.671 -0.049 19755 3094 1 7 . 1 1 25 25 PHE C C 25 174.127 174.127 174.962 -0.835 19755 3095 1 7 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.078 -0.148 19755 3096 1 7 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.090 1.781 19755 3097 1 7 . 1 1 25 25 PHE H H 25 7.550 7.550 8.197 -0.647 19755 3098 1 7 . 1 1 26 26 ASP N N 26 121.320 121.320 118.592 2.728 19755 3099 1 7 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.965 -0.071 19755 3100 1 7 . 1 1 26 26 ASP C C 26 177.370 177.370 177.272 0.098 19755 3101 1 7 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.614 0.493 19755 3102 1 7 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.956 0.110 19755 3103 1 7 . 1 1 26 26 ASP H H 26 8.891 8.891 8.529 0.362 19755 3104 1 7 . 1 1 27 27 ARG N N 27 124.100 124.100 124.250 -0.150 19755 3105 1 7 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.982 -0.140 19755 3106 1 7 . 1 1 27 27 ARG C C 27 176.201 176.201 177.360 -1.159 19755 3107 1 7 . 1 1 27 27 ARG CA C 27 59.857 59.857 58.962 0.894 19755 3108 1 7 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.267 -0.592 19755 3109 1 7 . 1 1 27 27 ARG H H 27 9.033 9.033 8.776 0.257 19755 3110 1 7 . 1 1 28 28 GLU N N 28 118.451 118.451 118.352 0.099 19755 3111 1 7 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.405 -0.368 19755 3112 1 7 . 1 1 28 28 GLU C C 28 178.889 178.889 179.281 -0.392 19755 3113 1 7 . 1 1 28 28 GLU CA C 28 59.255 59.255 58.999 0.256 19755 3114 1 7 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.770 -0.320 19755 3115 1 7 . 1 1 28 28 GLU H H 28 8.362 8.362 7.851 0.511 19755 3116 1 7 . 1 1 29 29 GLU N N 29 118.302 118.302 120.625 -2.323 19755 3117 1 7 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.159 -0.074 19755 3118 1 7 . 1 1 29 29 GLU C C 29 178.137 178.137 178.889 -0.752 19755 3119 1 7 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.187 -0.227 19755 3120 1 7 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.116 1.335 19755 3121 1 7 . 1 1 29 29 GLU H H 29 7.821 7.821 8.101 -0.280 19755 3122 1 7 . 1 1 30 30 ILE N N 30 115.456 115.456 118.986 -3.530 19755 3123 1 7 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.681 -0.054 19755 3124 1 7 . 1 1 30 30 ILE C C 30 176.229 176.229 177.714 -1.485 19755 3125 1 7 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.745 -3.682 19755 3126 1 7 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.841 -0.901 19755 3127 1 7 . 1 1 30 30 ILE H H 30 7.363 7.363 8.311 -0.948 19755 3128 1 7 . 1 1 31 31 TRP N N 31 116.714 116.714 116.681 0.033 19755 3129 1 7 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.318 -0.168 19755 3130 1 7 . 1 1 31 31 TRP C C 31 178.092 178.092 176.957 1.135 19755 3131 1 7 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.198 1.420 19755 3132 1 7 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.174 0.454 19755 3133 1 7 . 1 1 31 31 TRP H H 31 7.410 7.410 7.347 0.063 19755 3134 1 7 . 1 1 32 32 TYR N N 32 112.769 112.769 114.163 -1.394 19755 3135 1 7 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.739 0.027 19755 3136 1 7 . 1 1 32 32 TYR C C 32 175.767 175.767 175.396 0.371 19755 3137 1 7 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.614 1.018 19755 3138 1 7 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.025 1.197 19755 3139 1 7 . 1 1 32 32 TYR H H 32 7.577 7.577 7.248 0.329 19755 3140 1 7 . 1 1 33 33 ASN N N 33 120.521 120.521 119.172 1.349 19755 3141 1 7 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.051 -0.003 19755 3142 1 7 . 1 1 33 33 ASN C C 33 174.851 174.851 174.847 0.004 19755 3143 1 7 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.905 -0.585 19755 3144 1 7 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.948 -0.735 19755 3145 1 7 . 1 1 33 33 ASN H H 33 8.364 8.364 7.957 0.407 19755 3146 1 7 . 1 1 34 34 ARG N N 34 126.163 126.163 126.425 -0.262 19755 3147 1 7 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.929 0.256 19755 3148 1 7 . 1 1 34 34 ARG C C 34 178.509 178.509 177.997 0.512 19755 3149 1 7 . 1 1 34 34 ARG CA C 34 58.504 58.504 60.431 -1.927 19755 3150 1 7 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.380 -0.887 19755 3151 1 7 . 1 1 34 34 ARG H H 34 8.830 8.830 8.979 -0.149 19755 3152 1 7 . 1 1 35 35 GLU N N 35 118.994 118.994 116.547 2.447 19755 3153 1 7 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.216 -0.056 19755 3154 1 7 . 1 1 35 35 GLU C C 35 179.839 179.839 178.608 1.231 19755 3155 1 7 . 1 1 35 35 GLU CA C 35 60.191 60.191 58.900 1.291 19755 3156 1 7 . 1 1 35 35 GLU CB C 35 29.433 29.433 29.091 0.342 19755 3157 1 7 . 1 1 35 35 GLU H H 35 8.380 8.380 8.856 -0.476 19755 3158 1 7 . 1 1 36 36 ARG N N 36 119.197 119.197 119.102 0.095 19755 3159 1 7 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.543 -0.143 19755 3160 1 7 . 1 1 36 36 ARG C C 36 178.217 178.217 178.721 -0.504 19755 3161 1 7 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.672 0.722 19755 3162 1 7 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.805 -0.270 19755 3163 1 7 . 1 1 36 36 ARG H H 36 7.686 7.686 8.093 -0.407 19755 3164 1 7 . 1 1 37 37 SER N N 37 114.607 114.607 116.539 -1.932 19755 3165 1 7 . 1 1 37 37 SER HA H 37 3.899 3.899 4.194 -0.295 19755 3166 1 7 . 1 1 37 37 SER C C 37 178.298 178.298 176.407 1.891 19755 3167 1 7 . 1 1 37 37 SER CA C 37 62.455 62.455 61.855 0.600 19755 3168 1 7 . 1 1 37 37 SER CB C 37 62.542 62.542 62.746 -0.204 19755 3169 1 7 . 1 1 37 37 SER H H 37 8.282 8.282 8.238 0.044 19755 3170 1 7 . 1 1 38 38 GLU N N 38 121.063 121.063 122.472 -1.409 19755 3171 1 7 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.248 -0.492 19755 3172 1 7 . 1 1 38 38 GLU C C 38 177.182 177.182 178.849 -1.667 19755 3173 1 7 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.894 0.404 19755 3174 1 7 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.661 -0.387 19755 3175 1 7 . 1 1 38 38 GLU H H 38 7.849 7.849 7.906 -0.057 19755 3176 1 7 . 1 1 39 39 GLU N N 39 119.119 119.119 119.016 0.103 19755 3177 1 7 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.230 -0.001 19755 3178 1 7 . 1 1 39 39 GLU C C 39 179.781 179.781 179.043 0.738 19755 3179 1 7 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.859 1.313 19755 3180 1 7 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.990 1.069 19755 3181 1 7 . 1 1 39 39 GLU H H 39 7.686 7.686 7.877 -0.191 19755 3182 1 7 . 1 1 40 40 LEU N N 40 120.164 120.164 120.540 -0.376 19755 3183 1 7 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.664 0.028 19755 3184 1 7 . 1 1 40 40 LEU C C 40 177.155 177.155 177.832 -0.677 19755 3185 1 7 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.214 0.050 19755 3186 1 7 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.351 -0.902 19755 3187 1 7 . 1 1 40 40 LEU H H 40 7.739 7.739 7.927 -0.188 19755 3188 1 7 . 1 1 41 41 PHE N N 41 118.207 118.207 116.954 1.253 19755 3189 1 7 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.113 -0.308 19755 3190 1 7 . 1 1 41 41 PHE C C 41 176.387 176.387 177.682 -1.295 19755 3191 1 7 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.743 -0.380 19755 3192 1 7 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.202 -0.133 19755 3193 1 7 . 1 1 41 41 PHE H H 41 7.825 7.825 7.258 0.567 19755 3194 1 7 . 1 1 42 42 TRP N N 42 117.448 117.448 118.508 -1.060 19755 3195 1 7 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.191 -0.067 19755 3196 1 7 . 1 1 42 42 TRP C C 42 179.071 179.071 178.455 0.616 19755 3197 1 7 . 1 1 42 42 TRP CA C 42 60.079 60.079 60.955 -0.876 19755 3198 1 7 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.198 0.256 19755 3199 1 7 . 1 1 42 42 TRP H H 42 8.266 8.266 8.756 -0.490 19755 3200 1 7 . 1 1 43 43 GLU N N 43 120.573 120.573 119.570 1.003 19755 3201 1 7 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.051 0.108 19755 3202 1 7 . 1 1 43 43 GLU C C 43 179.556 179.556 178.725 0.831 19755 3203 1 7 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.478 0.703 19755 3204 1 7 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.078 0.424 19755 3205 1 7 . 1 1 43 43 GLU H H 43 7.918 7.918 7.771 0.147 19755 3206 1 7 . 1 1 44 44 VAL N N 44 119.502 119.502 116.226 3.276 19755 3207 1 7 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.682 -0.237 19755 3208 1 7 . 1 1 44 44 VAL C C 44 178.356 178.356 177.393 0.963 19755 3209 1 7 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.195 1.195 19755 3210 1 7 . 1 1 44 44 VAL CB C 44 31.220 31.220 30.769 0.451 19755 3211 1 7 . 1 1 44 44 VAL H H 44 7.947 7.947 7.284 0.663 19755 3212 1 7 . 1 1 45 45 MET N N 45 117.691 117.691 118.024 -0.333 19755 3213 1 7 . 1 1 45 45 MET HA H 45 4.118 4.118 4.232 -0.114 19755 3214 1 7 . 1 1 45 45 MET C C 45 179.207 179.207 179.092 0.115 19755 3215 1 7 . 1 1 45 45 MET CA C 45 56.677 56.677 57.633 -0.956 19755 3216 1 7 . 1 1 45 45 MET CB C 45 31.094 31.094 31.424 -0.331 19755 3217 1 7 . 1 1 45 45 MET H H 45 7.998 7.998 8.314 -0.316 19755 3218 1 7 . 1 1 46 46 ASP N N 46 119.109 119.109 121.663 -2.554 19755 3219 1 7 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.446 0.095 19755 3220 1 7 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.506 -0.564 19755 3221 1 7 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.782 0.646 19755 3222 1 7 . 1 1 46 46 ASP H H 46 7.773 7.773 8.271 -0.498 19755 3223 1 7 . 1 1 47 47 GLU N N 47 118.018 118.018 118.103 -0.085 19755 3224 1 7 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.149 0.019 19755 3225 1 7 . 1 1 47 47 GLU C C 47 177.957 177.957 177.668 0.289 19755 3226 1 7 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.375 -0.398 19755 3227 1 7 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.657 0.746 19755 3228 1 7 . 1 1 47 47 GLU H H 47 7.608 7.608 8.137 -0.529 19755 3229 1 7 . 1 1 48 48 VAL N N 48 115.277 115.277 115.095 0.182 19755 3230 1 7 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.262 -0.157 19755 3231 1 7 . 1 1 48 48 VAL CA C 48 62.377 62.377 62.076 0.301 19755 3232 1 7 . 1 1 48 48 VAL CB C 48 33.866 33.866 33.465 0.401 19755 3233 1 7 . 1 1 48 48 VAL H H 48 7.508 7.508 7.703 -0.195 19755 3234 1 7 . 1 1 49 49 HIS N N 49 121.222 121.222 122.129 -0.907 19755 3235 1 7 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.223 0.388 19755 3236 1 7 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.852 -2.852 19755 3237 1 7 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.329 -0.800 19755 3238 1 7 . 1 1 49 49 HIS H H 49 8.099 8.099 7.917 0.182 19755 3239 1 7 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.306 -0.084 19755 3240 1 7 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.551 -0.922 19755 3241 1 7 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.421 1.002 19755 3242 1 7 . 1 1 51 51 GLU N N 51 119.589 119.589 118.479 1.110 19755 3243 1 7 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.396 -0.162 19755 3244 1 7 . 1 1 51 51 GLU C C 51 176.279 176.279 178.486 -2.207 19755 3245 1 7 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.660 -1.113 19755 3246 1 7 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.820 -0.239 19755 3247 1 7 . 1 1 51 51 GLU H H 51 8.121 8.121 8.288 -0.167 19755 3248 1 7 . 1 1 52 52 GLU N N 52 122.410 122.410 121.053 1.357 19755 3249 1 7 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.090 0.220 19755 3250 1 7 . 1 1 52 52 GLU C C 52 176.127 176.127 178.713 -2.586 19755 3251 1 7 . 1 1 52 52 GLU CA C 52 56.508 56.508 59.224 -2.716 19755 3252 1 7 . 1 1 52 52 GLU CB C 52 30.565 30.565 29.546 1.020 19755 3253 1 7 . 1 1 52 52 GLU H H 52 8.412 8.412 8.475 -0.063 19755 3254 1 7 . 1 1 53 53 GLU N N 53 121.407 121.407 118.810 2.597 19755 3255 1 7 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.979 0.315 19755 3256 1 7 . 1 1 53 53 GLU C C 53 176.242 176.242 177.987 -1.745 19755 3257 1 7 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.516 -1.909 19755 3258 1 7 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.561 1.879 19755 3259 1 7 . 1 1 53 53 GLU H H 53 8.361 8.361 8.014 0.347 19755 3260 1 7 . 1 1 54 54 PHE N N 54 121.128 121.128 119.711 1.417 19755 3261 1 7 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.414 0.180 19755 3262 1 7 . 1 1 54 54 PHE C C 54 176.021 176.021 175.652 0.369 19755 3263 1 7 . 1 1 54 54 PHE CA C 54 57.554 57.554 58.768 -1.214 19755 3264 1 7 . 1 1 54 54 PHE CB C 54 40.192 40.192 40.100 0.092 19755 3265 1 7 . 1 1 54 54 PHE H H 54 8.147 8.147 7.794 0.353 19755 3266 1 7 . 1 1 55 55 ALA N N 55 126.124 126.124 119.823 6.301 19755 3267 1 7 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.444 -0.023 19755 3268 1 7 . 1 1 55 55 ALA C C 55 177.391 177.391 176.503 0.888 19755 3269 1 7 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.021 0.352 19755 3270 1 7 . 1 1 55 55 ALA CB C 55 19.512 19.512 20.799 -1.288 19755 3271 1 7 . 1 1 55 55 ALA H H 55 8.124 8.124 8.025 0.099 19755 3272 1 7 . 1 1 56 56 VAL N N 56 119.019 119.019 122.310 -3.291 19755 3273 1 7 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.008 0.125 19755 3274 1 7 . 1 1 56 56 VAL C C 56 176.128 176.128 174.824 1.304 19755 3275 1 7 . 1 1 56 56 VAL CA C 56 62.306 62.306 63.007 -0.701 19755 3276 1 7 . 1 1 56 56 VAL CB C 56 33.274 33.274 30.541 2.732 19755 3277 1 7 . 1 1 56 56 VAL H H 56 7.958 7.958 7.874 0.084 19755 3278 1 7 . 1 1 57 57 GLU N N 57 124.588 124.588 124.408 0.180 19755 3279 1 7 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.470 0.025 19755 3280 1 7 . 1 1 57 57 GLU C C 57 176.082 176.082 175.875 0.207 19755 3281 1 7 . 1 1 57 57 GLU CA C 57 56.056 56.056 56.058 -0.002 19755 3282 1 7 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.950 1.353 19755 3283 1 7 . 1 1 57 57 GLU H H 57 8.413 8.413 8.512 -0.099 19755 3284 1 7 . 1 1 58 58 GLY N N 58 110.794 110.794 109.434 1.360 19755 3285 1 7 . 1 1 58 58 GLY C C 58 170.660 170.660 172.157 -1.497 19755 3286 1 7 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.765 0.092 19755 3287 1 7 . 1 1 58 58 GLY H H 58 8.040 8.040 8.019 0.021 19755 3288 1 7 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.490 -0.059 19755 3289 1 7 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.468 0.620 19755 3290 1 7 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.663 -0.189 19755 3291 1 7 . 1 1 60 60 LEU N N 60 120.609 120.609 119.389 1.220 19755 3292 1 7 . 1 1 60 60 LEU C C 60 176.392 176.392 175.003 1.389 19755 3293 1 7 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.225 -0.301 19755 3294 1 7 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.255 -0.217 19755 3295 1 7 . 1 1 60 60 LEU H H 60 8.367 8.367 7.940 0.427 19755 3296 1 7 . 1 1 61 61 TRP N N 61 124.050 124.050 124.107 -0.057 19755 3297 1 7 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.866 0.095 19755 3298 1 7 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.799 -0.666 19755 3299 1 7 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.192 -2.326 19755 3300 1 7 . 1 1 61 61 TRP H H 61 9.101 9.101 8.234 0.867 19755 3301 1 7 . 1 1 62 62 ILE N N 62 121.315 121.315 121.087 0.228 19755 3302 1 7 . 1 1 62 62 ILE C C 62 174.576 174.576 174.712 -0.136 19755 3303 1 7 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.497 1.059 19755 3304 1 7 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.355 -0.716 19755 3305 1 7 . 1 1 62 62 ILE H H 62 7.863 7.863 8.514 -0.651 19755 3306 1 7 . 1 1 63 63 GLN N N 63 127.300 127.300 124.967 2.333 19755 3307 1 7 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.809 -0.275 19755 3308 1 7 . 1 1 63 63 GLN C C 63 173.768 173.768 173.515 0.253 19755 3309 1 7 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.902 -0.493 19755 3310 1 7 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.395 -3.086 19755 3311 1 7 . 1 1 63 63 GLN H H 63 8.881 8.881 9.253 -0.372 19755 3312 1 7 . 1 1 64 64 VAL N N 64 123.414 123.414 121.636 1.778 19755 3313 1 7 . 1 1 64 64 VAL HA H 64 4.677 4.677 5.025 -0.348 19755 3314 1 7 . 1 1 64 64 VAL C C 64 174.737 174.737 173.646 1.091 19755 3315 1 7 . 1 1 64 64 VAL CA C 64 60.965 60.965 59.718 1.247 19755 3316 1 7 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.239 -0.819 19755 3317 1 7 . 1 1 64 64 VAL H H 64 8.330 8.330 8.360 -0.030 19755 3318 1 7 . 1 1 65 65 GLN N N 65 125.152 125.152 123.502 1.650 19755 3319 1 7 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.672 0.079 19755 3320 1 7 . 1 1 65 65 GLN C C 65 174.043 174.043 173.585 0.458 19755 3321 1 7 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.633 0.788 19755 3322 1 7 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.307 -0.351 19755 3323 1 7 . 1 1 65 65 GLN H H 65 8.938 8.938 8.881 0.057 19755 3324 1 7 . 1 1 66 66 ALA N N 66 127.534 127.534 123.948 3.586 19755 3325 1 7 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.900 -0.264 19755 3326 1 7 . 1 1 66 66 ALA C C 66 176.740 176.740 176.283 0.457 19755 3327 1 7 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.251 1.550 19755 3328 1 7 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.261 -0.915 19755 3329 1 7 . 1 1 66 66 ALA H H 66 8.808 8.808 8.615 0.193 19755 3330 1 7 . 1 1 67 67 LEU N N 67 124.609 124.609 122.514 2.095 19755 3331 1 7 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.782 0.003 19755 3332 1 7 . 1 1 67 67 LEU C C 67 177.190 177.190 177.625 -0.435 19755 3333 1 7 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.911 -0.326 19755 3334 1 7 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.676 -0.830 19755 3335 1 7 . 1 1 67 67 LEU H H 67 8.541 8.541 8.733 -0.192 19755 3336 1 7 . 1 1 68 68 ASP N N 68 120.713 120.713 119.673 1.040 19755 3337 1 7 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.466 -0.036 19755 3338 1 7 . 1 1 68 68 ASP C C 68 177.319 177.319 176.946 0.373 19755 3339 1 7 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.620 1.470 19755 3340 1 7 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.097 -0.182 19755 3341 1 7 . 1 1 68 68 ASP H H 68 8.539 8.539 8.638 -0.099 19755 3342 1 7 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.585 0.017 19755 3343 1 7 . 1 1 69 69 LYS C C 69 176.282 176.282 174.384 1.898 19755 3344 1 7 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.914 0.903 19755 3345 1 7 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.377 1.185 19755 3346 1 7 . 1 1 70 70 GLY N N 70 110.325 110.325 105.823 4.502 19755 3347 1 7 . 1 1 70 70 GLY C C 70 169.572 169.572 171.321 -1.749 19755 3348 1 7 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.331 0.034 19755 3349 1 7 . 1 1 70 70 GLY H H 70 6.977 6.977 7.008 -0.031 19755 3350 1 7 . 1 1 71 71 LEU N N 71 116.716 116.716 118.822 -2.106 19755 3351 1 7 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.125 -0.109 19755 3352 1 7 . 1 1 71 71 LEU C C 71 174.299 174.299 175.148 -0.849 19755 3353 1 7 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.336 -1.279 19755 3354 1 7 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.913 -1.021 19755 3355 1 7 . 1 1 71 71 LEU H H 71 8.032 8.032 8.455 -0.423 19755 3356 1 7 . 1 1 72 72 GLU N N 72 120.507 120.507 121.743 -1.236 19755 3357 1 7 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.049 -0.083 19755 3358 1 7 . 1 1 72 72 GLU C C 72 174.588 174.588 175.476 -0.888 19755 3359 1 7 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.763 -0.729 19755 3360 1 7 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.646 1.746 19755 3361 1 7 . 1 1 72 72 GLU H H 72 8.739 8.739 8.697 0.042 19755 3362 1 7 . 1 1 73 73 ILE N N 73 127.226 127.226 124.985 2.241 19755 3363 1 7 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.499 0.027 19755 3364 1 7 . 1 1 73 73 ILE C C 73 173.786 173.786 174.475 -0.689 19755 3365 1 7 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.455 0.973 19755 3366 1 7 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.053 0.052 19755 3367 1 7 . 1 1 73 73 ILE H H 73 8.755 8.755 8.780 -0.025 19755 3368 1 7 . 1 1 74 74 ILE N N 74 126.107 126.107 127.651 -1.544 19755 3369 1 7 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.636 0.030 19755 3370 1 7 . 1 1 74 74 ILE C C 74 175.304 175.304 174.805 0.499 19755 3371 1 7 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.333 1.475 19755 3372 1 7 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.532 -0.100 19755 3373 1 7 . 1 1 74 74 ILE H H 74 8.691 8.691 8.912 -0.221 19755 3374 1 7 . 1 1 75 75 VAL N N 75 128.967 128.967 120.731 8.236 19755 3375 1 7 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.360 -0.755 19755 3376 1 7 . 1 1 75 75 VAL C C 75 174.187 174.187 174.757 -0.570 19755 3377 1 7 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.531 1.889 19755 3378 1 7 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.048 -1.403 19755 3379 1 7 . 1 1 75 75 VAL H H 75 9.178 9.178 9.238 -0.060 19755 3380 1 7 . 1 1 76 76 THR HA H 76 5.743 5.743 4.924 0.819 19755 3381 1 7 . 1 1 76 76 THR CA C 76 59.957 59.957 59.588 0.369 19755 3382 1 7 . 1 1 76 76 THR CB C 76 71.833 71.833 72.132 -0.299 19755 3383 1 7 . 1 1 77 77 LYS N N 77 124.204 124.204 120.178 4.026 19755 3384 1 7 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.860 -0.272 19755 3385 1 7 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.228 1.523 19755 3386 1 7 . 1 1 77 77 LYS CB C 77 33.947 33.947 34.925 -0.978 19755 3387 1 7 . 1 1 77 77 LYS H H 77 8.688 8.688 8.494 0.194 19755 3388 1 7 . 1 1 78 78 ALA N N 78 125.102 125.102 122.691 2.411 19755 3389 1 7 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.016 -0.040 19755 3390 1 7 . 1 1 78 78 ALA C C 78 176.776 176.776 177.215 -0.439 19755 3391 1 7 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.804 -0.373 19755 3392 1 7 . 1 1 78 78 ALA CB C 78 19.542 19.542 18.582 0.960 19755 3393 1 7 . 1 1 78 78 ALA H H 78 8.137 8.137 8.570 -0.433 19755 3394 1 7 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.159 -0.074 19755 3395 1 7 . 1 1 79 79 GLN CA C 79 55.540 55.540 55.619 -0.079 19755 3396 1 7 . 1 1 79 79 GLN CB C 79 29.617 29.617 29.343 0.274 19755 3397 1 7 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.345 -0.050 19755 3398 1 7 . 1 1 80 80 LEU CA C 80 55.034 55.034 54.815 0.219 19755 3399 1 7 . 1 1 80 80 LEU CB C 80 42.320 42.320 43.266 -0.946 19755 3400 1 7 . 1 1 81 81 SER N N 81 116.580 116.580 120.173 -3.593 19755 3401 1 7 . 1 1 81 81 SER HA H 81 4.291 4.291 4.083 0.208 19755 3402 1 7 . 1 1 81 81 SER C C 81 174.770 174.770 175.952 -1.182 19755 3403 1 7 . 1 1 81 81 SER CA C 81 58.674 58.674 60.812 -2.138 19755 3404 1 7 . 1 1 81 81 SER CB C 81 63.931 63.931 62.858 1.073 19755 3405 1 7 . 1 1 81 81 SER H H 81 8.214 8.214 8.676 -0.462 19755 3406 1 7 . 1 1 82 82 LYS N N 82 122.968 122.968 122.272 0.696 19755 3407 1 7 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.059 0.224 19755 3408 1 7 . 1 1 82 82 LYS C C 82 176.222 176.222 178.801 -2.579 19755 3409 1 7 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.458 -1.916 19755 3410 1 7 . 1 1 82 82 LYS CB C 82 32.941 32.941 31.717 1.224 19755 3411 1 7 . 1 1 82 82 LYS H H 82 8.255 8.255 8.236 0.019 19755 3412 1 7 . 1 1 83 83 ASP N N 83 120.305 120.305 118.055 2.250 19755 3413 1 7 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.547 -0.001 19755 3414 1 7 . 1 1 83 83 ASP C C 83 176.527 176.527 176.543 -0.016 19755 3415 1 7 . 1 1 83 83 ASP CA C 83 54.864 54.864 55.366 -0.502 19755 3416 1 7 . 1 1 83 83 ASP CB C 83 41.156 41.156 40.431 0.725 19755 3417 1 7 . 1 1 83 83 ASP H H 83 8.158 8.158 8.064 0.094 19755 3418 1 7 . 1 1 84 84 LEU N N 84 121.499 121.499 116.570 4.929 19755 3419 1 7 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.468 -0.285 19755 3420 1 7 . 1 1 84 84 LEU C C 84 177.585 177.585 177.106 0.479 19755 3421 1 7 . 1 1 84 84 LEU CA C 84 56.042 56.042 55.411 0.631 19755 3422 1 7 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.540 -1.161 19755 3423 1 7 . 1 1 84 84 LEU H H 84 7.955 7.955 7.450 0.504 19755 3424 1 7 . 1 1 85 85 ASP N N 85 119.668 119.668 119.345 0.323 19755 3425 1 7 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.474 0.026 19755 3426 1 7 . 1 1 85 85 ASP C C 85 176.445 176.445 176.998 -0.553 19755 3427 1 7 . 1 1 85 85 ASP CA C 85 55.143 55.143 56.094 -0.951 19755 3428 1 7 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.693 -0.577 19755 3429 1 7 . 1 1 85 85 ASP H H 85 8.207 8.207 8.258 -0.051 19755 3430 1 7 . 1 1 86 86 LYS N N 86 119.760 119.760 120.282 -0.522 19755 3431 1 7 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.222 0.031 19755 3432 1 7 . 1 1 86 86 LYS C C 86 176.336 176.336 175.854 0.482 19755 3433 1 7 . 1 1 86 86 LYS CA C 86 56.519 56.519 56.306 0.213 19755 3434 1 7 . 1 1 86 86 LYS CB C 86 33.072 33.072 32.819 0.253 19755 3435 1 7 . 1 1 86 86 LYS H H 86 7.843 7.843 7.913 -0.070 19755 3436 1 7 . 1 1 87 87 LEU N N 87 122.086 122.086 122.668 -0.582 19755 3437 1 7 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.246 0.063 19755 3438 1 7 . 1 1 87 87 LEU C C 87 176.952 176.952 177.728 -0.776 19755 3439 1 7 . 1 1 87 87 LEU CA C 87 55.369 55.369 54.743 0.626 19755 3440 1 7 . 1 1 87 87 LEU CB C 87 42.407 42.407 42.014 0.393 19755 3441 1 7 . 1 1 87 87 LEU H H 87 8.008 8.008 8.282 -0.274 19755 3442 1 7 . 1 1 88 88 VAL N N 88 122.409 122.409 118.170 4.239 19755 3443 1 7 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.691 -0.317 19755 3444 1 7 . 1 1 88 88 VAL C C 88 174.225 174.225 174.247 -0.022 19755 3445 1 7 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.023 0.969 19755 3446 1 7 . 1 1 88 88 VAL CB C 88 32.946 32.946 32.245 0.701 19755 3447 1 7 . 1 1 88 88 VAL H H 88 7.919 7.919 8.034 -0.116 19755 3448 1 7 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.498 -0.128 19755 3449 1 7 . 1 1 89 89 PRO C C 89 176.035 176.035 176.647 -0.612 19755 3450 1 7 . 1 1 89 89 PRO CA C 89 63.592 63.592 62.978 0.614 19755 3451 1 7 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.174 0.044 19755 3452 1 8 . 1 1 2 2 GLU N N 2 123.952 123.952 120.964 2.988 19755 3453 1 8 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.838 -0.157 19755 3454 1 8 . 1 1 2 2 GLU C C 2 174.704 174.704 174.681 0.023 19755 3455 1 8 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.694 0.172 19755 3456 1 8 . 1 1 2 2 GLU CB C 2 32.406 32.406 33.193 -0.787 19755 3457 1 8 . 1 1 2 2 GLU H H 2 8.571 8.571 8.466 0.105 19755 3458 1 8 . 1 1 3 3 ILE N N 3 121.558 121.558 122.830 -1.272 19755 3459 1 8 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.949 -0.237 19755 3460 1 8 . 1 1 3 3 ILE C C 3 174.736 174.736 175.645 -0.909 19755 3461 1 8 . 1 1 3 3 ILE CA C 3 60.277 60.277 58.810 1.467 19755 3462 1 8 . 1 1 3 3 ILE CB C 3 40.861 40.861 40.866 -0.005 19755 3463 1 8 . 1 1 3 3 ILE H H 3 8.565 8.565 8.524 0.041 19755 3464 1 8 . 1 1 4 4 GLU N N 4 126.319 126.319 125.380 0.939 19755 3465 1 8 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.663 -0.102 19755 3466 1 8 . 1 1 4 4 GLU C C 4 174.708 174.708 174.368 0.340 19755 3467 1 8 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.705 0.523 19755 3468 1 8 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.917 -0.908 19755 3469 1 8 . 1 1 4 4 GLU H H 4 9.153 9.153 9.177 -0.024 19755 3470 1 8 . 1 1 5 5 ARG N N 5 127.727 127.727 125.874 1.853 19755 3471 1 8 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.648 -0.088 19755 3472 1 8 . 1 1 5 5 ARG C C 5 175.807 175.807 175.914 -0.107 19755 3473 1 8 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.770 0.353 19755 3474 1 8 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.757 -0.104 19755 3475 1 8 . 1 1 5 5 ARG H H 5 9.002 9.002 8.779 0.223 19755 3476 1 8 . 1 1 6 6 ILE N N 6 129.149 129.149 127.814 1.335 19755 3477 1 8 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.943 -0.039 19755 3478 1 8 . 1 1 6 6 ILE C C 6 176.468 176.468 176.469 -0.001 19755 3479 1 8 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.794 0.177 19755 3480 1 8 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.908 0.254 19755 3481 1 8 . 1 1 6 6 ILE H H 6 8.030 8.030 8.534 -0.504 19755 3482 1 8 . 1 1 7 7 ASN N N 7 112.808 112.808 115.665 -2.857 19755 3483 1 8 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.849 -0.290 19755 3484 1 8 . 1 1 7 7 ASN C C 7 175.254 175.254 174.217 1.037 19755 3485 1 8 . 1 1 7 7 ASN CA C 7 52.853 52.853 52.106 0.747 19755 3486 1 8 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.006 -0.731 19755 3487 1 8 . 1 1 7 7 ASN H H 7 8.147 8.147 7.843 0.304 19755 3488 1 8 . 1 1 8 8 GLU N N 8 121.087 121.087 118.247 2.840 19755 3489 1 8 . 1 1 8 8 GLU HA H 8 4.050 4.050 3.996 0.054 19755 3490 1 8 . 1 1 8 8 GLU C C 8 176.486 176.486 177.564 -1.078 19755 3491 1 8 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.621 1.181 19755 3492 1 8 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.253 0.198 19755 3493 1 8 . 1 1 8 8 GLU H H 8 8.770 8.770 8.804 -0.034 19755 3494 1 8 . 1 1 9 9 HIS N N 9 113.719 113.719 115.603 -1.884 19755 3495 1 8 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.790 0.175 19755 3496 1 8 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.256 -0.451 19755 3497 1 8 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.911 0.073 19755 3498 1 8 . 1 1 9 9 HIS H H 9 7.921 7.921 8.287 -0.366 19755 3499 1 8 . 1 1 10 10 THR N N 10 116.218 116.218 118.246 -2.028 19755 3500 1 8 . 1 1 10 10 THR HA H 10 5.736 5.736 5.015 0.721 19755 3501 1 8 . 1 1 10 10 THR C C 10 173.396 173.396 173.693 -0.297 19755 3502 1 8 . 1 1 10 10 THR CA C 10 62.820 62.820 63.098 -0.278 19755 3503 1 8 . 1 1 10 10 THR CB C 10 71.465 71.465 70.459 1.006 19755 3504 1 8 . 1 1 10 10 THR H H 10 7.349 7.349 8.837 -1.488 19755 3505 1 8 . 1 1 11 11 VAL N N 11 124.880 124.880 120.730 4.150 19755 3506 1 8 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.102 -0.245 19755 3507 1 8 . 1 1 11 11 VAL C C 11 172.156 172.156 173.757 -1.601 19755 3508 1 8 . 1 1 11 11 VAL CA C 11 59.876 59.876 58.826 1.050 19755 3509 1 8 . 1 1 11 11 VAL CB C 11 35.986 35.986 34.983 1.003 19755 3510 1 8 . 1 1 11 11 VAL H H 11 9.043 9.043 9.097 -0.054 19755 3511 1 8 . 1 1 12 12 LYS N N 12 124.164 124.164 118.847 5.317 19755 3512 1 8 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.482 0.102 19755 3513 1 8 . 1 1 12 12 LYS C C 12 173.380 173.380 175.064 -1.684 19755 3514 1 8 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.585 -0.380 19755 3515 1 8 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.906 0.552 19755 3516 1 8 . 1 1 12 12 LYS H H 12 8.884 8.884 8.730 0.154 19755 3517 1 8 . 1 1 13 13 PHE N N 13 124.228 124.228 114.327 9.901 19755 3518 1 8 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.425 -0.097 19755 3519 1 8 . 1 1 13 13 PHE C C 13 172.237 172.237 172.917 -0.680 19755 3520 1 8 . 1 1 13 13 PHE CA C 13 55.986 55.986 55.830 0.156 19755 3521 1 8 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.293 -0.377 19755 3522 1 8 . 1 1 13 13 PHE H H 13 8.989 8.989 8.951 0.038 19755 3523 1 8 . 1 1 14 14 TYR N N 14 121.263 121.263 120.422 0.841 19755 3524 1 8 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.499 -0.112 19755 3525 1 8 . 1 1 14 14 TYR C C 14 174.713 174.713 173.333 1.380 19755 3526 1 8 . 1 1 14 14 TYR CA C 14 55.953 55.953 56.067 -0.114 19755 3527 1 8 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.933 -1.425 19755 3528 1 8 . 1 1 14 14 TYR H H 14 8.670 8.670 9.211 -0.541 19755 3529 1 8 . 1 1 15 15 MET N N 15 124.869 124.869 125.276 -0.407 19755 3530 1 8 . 1 1 15 15 MET HA H 15 4.417 4.417 4.719 -0.302 19755 3531 1 8 . 1 1 15 15 MET C C 15 173.614 173.614 173.616 -0.002 19755 3532 1 8 . 1 1 15 15 MET CA C 15 54.305 54.305 53.635 0.670 19755 3533 1 8 . 1 1 15 15 MET CB C 15 37.439 37.439 36.051 1.388 19755 3534 1 8 . 1 1 15 15 MET H H 15 7.927 7.927 8.488 -0.561 19755 3535 1 8 . 1 1 16 16 SER N N 16 120.626 120.626 123.813 -3.187 19755 3536 1 8 . 1 1 16 16 SER HA H 16 4.396 4.396 4.415 -0.019 19755 3537 1 8 . 1 1 16 16 SER C C 16 175.508 175.508 175.503 0.005 19755 3538 1 8 . 1 1 16 16 SER CA C 16 57.637 57.637 58.195 -0.558 19755 3539 1 8 . 1 1 16 16 SER CB C 16 65.033 65.033 64.054 0.979 19755 3540 1 8 . 1 1 16 16 SER H H 16 9.061 9.061 8.643 0.418 19755 3541 1 8 . 1 1 17 17 TYR N N 17 119.917 119.917 122.886 -2.969 19755 3542 1 8 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.264 0.096 19755 3543 1 8 . 1 1 17 17 TYR C C 17 178.684 178.684 178.077 0.607 19755 3544 1 8 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.050 1.906 19755 3545 1 8 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.706 -0.717 19755 3546 1 8 . 1 1 17 17 TYR H H 17 8.411 8.411 8.533 -0.122 19755 3547 1 8 . 1 1 18 18 GLY N N 18 107.011 107.011 104.465 2.546 19755 3548 1 8 . 1 1 18 18 GLY C C 18 175.454 175.454 175.592 -0.138 19755 3549 1 8 . 1 1 18 18 GLY CA C 18 47.446 47.446 45.155 2.291 19755 3550 1 8 . 1 1 18 18 GLY H H 18 8.534 8.534 8.696 -0.162 19755 3551 1 8 . 1 1 19 19 ASP N N 19 122.947 122.947 123.685 -0.738 19755 3552 1 8 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.474 -0.082 19755 3553 1 8 . 1 1 19 19 ASP C C 19 179.020 179.020 178.162 0.858 19755 3554 1 8 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.881 -0.438 19755 3555 1 8 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.111 -0.197 19755 3556 1 8 . 1 1 19 19 ASP H H 19 7.788 7.788 7.812 -0.024 19755 3557 1 8 . 1 1 20 20 ILE N N 20 119.114 119.114 119.548 -0.434 19755 3558 1 8 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.691 -0.163 19755 3559 1 8 . 1 1 20 20 ILE C C 20 177.939 177.939 177.452 0.487 19755 3560 1 8 . 1 1 20 20 ILE CA C 20 66.310 66.310 65.794 0.516 19755 3561 1 8 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.082 0.804 19755 3562 1 8 . 1 1 20 20 ILE H H 20 7.762 7.762 7.642 0.120 19755 3563 1 8 . 1 1 21 21 GLU N N 21 119.999 119.999 119.949 0.050 19755 3564 1 8 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.268 0.314 19755 3565 1 8 . 1 1 21 21 GLU C C 21 181.888 181.888 178.584 3.304 19755 3566 1 8 . 1 1 21 21 GLU CA C 21 59.207 59.207 58.864 0.343 19755 3567 1 8 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.339 0.075 19755 3568 1 8 . 1 1 21 21 GLU H H 21 8.113 8.113 8.169 -0.056 19755 3569 1 8 . 1 1 22 22 ASP N N 22 122.667 122.667 120.523 2.144 19755 3570 1 8 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.449 0.025 19755 3571 1 8 . 1 1 22 22 ASP C C 22 178.184 178.184 178.494 -0.310 19755 3572 1 8 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.423 0.912 19755 3573 1 8 . 1 1 22 22 ASP CB C 22 40.867 40.867 40.979 -0.112 19755 3574 1 8 . 1 1 22 22 ASP H H 22 8.699 8.699 7.809 0.890 19755 3575 1 8 . 1 1 23 23 ARG N N 23 116.862 116.862 117.428 -0.566 19755 3576 1 8 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.293 0.051 19755 3577 1 8 . 1 1 23 23 ARG C C 23 176.101 176.101 176.960 -0.859 19755 3578 1 8 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.752 -0.100 19755 3579 1 8 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.711 0.086 19755 3580 1 8 . 1 1 23 23 ARG H H 23 7.380 7.380 8.019 -0.639 19755 3581 1 8 . 1 1 24 24 GLY N N 24 106.318 106.318 105.710 0.608 19755 3582 1 8 . 1 1 24 24 GLY C C 24 174.117 174.117 174.573 -0.456 19755 3583 1 8 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.286 0.207 19755 3584 1 8 . 1 1 24 24 GLY H H 24 8.004 8.004 7.819 0.185 19755 3585 1 8 . 1 1 25 25 PHE N N 25 118.274 118.274 120.238 -1.964 19755 3586 1 8 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.654 -0.032 19755 3587 1 8 . 1 1 25 25 PHE C C 25 174.127 174.127 175.016 -0.889 19755 3588 1 8 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.570 -0.640 19755 3589 1 8 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.095 1.776 19755 3590 1 8 . 1 1 25 25 PHE H H 25 7.550 7.550 8.264 -0.714 19755 3591 1 8 . 1 1 26 26 ASP N N 26 121.320 121.320 117.797 3.523 19755 3592 1 8 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.896 -0.002 19755 3593 1 8 . 1 1 26 26 ASP C C 26 177.370 177.370 176.957 0.413 19755 3594 1 8 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.514 0.593 19755 3595 1 8 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.687 0.379 19755 3596 1 8 . 1 1 26 26 ASP H H 26 8.891 8.891 8.375 0.516 19755 3597 1 8 . 1 1 27 27 ARG N N 27 124.100 124.100 123.480 0.620 19755 3598 1 8 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.900 -0.058 19755 3599 1 8 . 1 1 27 27 ARG C C 27 176.201 176.201 177.618 -1.417 19755 3600 1 8 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.113 0.744 19755 3601 1 8 . 1 1 27 27 ARG CB C 27 29.675 29.675 29.820 -0.145 19755 3602 1 8 . 1 1 27 27 ARG H H 27 9.033 9.033 8.778 0.255 19755 3603 1 8 . 1 1 28 28 GLU N N 28 118.451 118.451 119.417 -0.966 19755 3604 1 8 . 1 1 28 28 GLU HA H 28 4.037 4.037 3.598 0.439 19755 3605 1 8 . 1 1 28 28 GLU C C 28 178.889 178.889 178.300 0.589 19755 3606 1 8 . 1 1 28 28 GLU CA C 28 59.255 59.255 58.919 0.336 19755 3607 1 8 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.120 0.330 19755 3608 1 8 . 1 1 28 28 GLU H H 28 8.362 8.362 7.796 0.566 19755 3609 1 8 . 1 1 29 29 GLU N N 29 118.302 118.302 119.571 -1.269 19755 3610 1 8 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.063 0.022 19755 3611 1 8 . 1 1 29 29 GLU C C 29 178.137 178.137 178.962 -0.825 19755 3612 1 8 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.027 -0.067 19755 3613 1 8 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.102 1.350 19755 3614 1 8 . 1 1 29 29 GLU H H 29 7.821 7.821 8.232 -0.411 19755 3615 1 8 . 1 1 30 30 ILE N N 30 115.456 115.456 118.888 -3.432 19755 3616 1 8 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.642 -0.015 19755 3617 1 8 . 1 1 30 30 ILE C C 30 176.229 176.229 177.788 -1.559 19755 3618 1 8 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.729 -3.666 19755 3619 1 8 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.726 -0.786 19755 3620 1 8 . 1 1 30 30 ILE H H 30 7.363 7.363 8.306 -0.943 19755 3621 1 8 . 1 1 31 31 TRP N N 31 116.714 116.714 118.254 -1.540 19755 3622 1 8 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.457 -0.307 19755 3623 1 8 . 1 1 31 31 TRP C C 31 178.092 178.092 178.660 -0.568 19755 3624 1 8 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.834 0.784 19755 3625 1 8 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.703 -0.075 19755 3626 1 8 . 1 1 31 31 TRP H H 31 7.410 7.410 7.024 0.386 19755 3627 1 8 . 1 1 32 32 TYR N N 32 112.769 112.769 113.152 -0.383 19755 3628 1 8 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.613 0.153 19755 3629 1 8 . 1 1 32 32 TYR C C 32 175.767 175.767 176.093 -0.326 19755 3630 1 8 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.303 1.329 19755 3631 1 8 . 1 1 32 32 TYR CB C 32 40.222 40.222 37.806 2.416 19755 3632 1 8 . 1 1 32 32 TYR H H 32 7.577 7.577 7.850 -0.273 19755 3633 1 8 . 1 1 33 33 ASN N N 33 120.521 120.521 118.925 1.596 19755 3634 1 8 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.037 0.011 19755 3635 1 8 . 1 1 33 33 ASN C C 33 174.851 174.851 174.655 0.196 19755 3636 1 8 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.916 -0.597 19755 3637 1 8 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.630 -0.417 19755 3638 1 8 . 1 1 33 33 ASN H H 33 8.364 8.364 7.792 0.572 19755 3639 1 8 . 1 1 34 34 ARG N N 34 126.163 126.163 125.271 0.892 19755 3640 1 8 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.985 0.200 19755 3641 1 8 . 1 1 34 34 ARG C C 34 178.509 178.509 177.942 0.567 19755 3642 1 8 . 1 1 34 34 ARG CA C 34 58.504 58.504 60.282 -1.778 19755 3643 1 8 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.495 -1.002 19755 3644 1 8 . 1 1 34 34 ARG H H 34 8.830 8.830 8.955 -0.125 19755 3645 1 8 . 1 1 35 35 GLU N N 35 118.994 118.994 116.062 2.932 19755 3646 1 8 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.260 -0.100 19755 3647 1 8 . 1 1 35 35 GLU C C 35 179.839 179.839 178.354 1.485 19755 3648 1 8 . 1 1 35 35 GLU CA C 35 60.191 60.191 58.895 1.296 19755 3649 1 8 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.808 0.625 19755 3650 1 8 . 1 1 35 35 GLU H H 35 8.380 8.380 8.801 -0.421 19755 3651 1 8 . 1 1 36 36 ARG N N 36 119.197 119.197 119.606 -0.409 19755 3652 1 8 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.538 -0.138 19755 3653 1 8 . 1 1 36 36 ARG C C 36 178.217 178.217 178.565 -0.348 19755 3654 1 8 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.356 1.038 19755 3655 1 8 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.736 -0.201 19755 3656 1 8 . 1 1 36 36 ARG H H 36 7.686 7.686 7.976 -0.290 19755 3657 1 8 . 1 1 37 37 SER N N 37 114.607 114.607 116.450 -1.843 19755 3658 1 8 . 1 1 37 37 SER HA H 37 3.899 3.899 4.131 -0.233 19755 3659 1 8 . 1 1 37 37 SER C C 37 178.298 178.298 176.236 2.062 19755 3660 1 8 . 1 1 37 37 SER CA C 37 62.455 62.455 61.879 0.576 19755 3661 1 8 . 1 1 37 37 SER CB C 37 62.542 62.542 62.738 -0.196 19755 3662 1 8 . 1 1 37 37 SER H H 37 8.282 8.282 8.186 0.096 19755 3663 1 8 . 1 1 38 38 GLU N N 38 121.063 121.063 122.121 -1.058 19755 3664 1 8 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.205 -0.449 19755 3665 1 8 . 1 1 38 38 GLU C C 38 177.182 177.182 178.812 -1.630 19755 3666 1 8 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.729 0.569 19755 3667 1 8 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.582 -0.308 19755 3668 1 8 . 1 1 38 38 GLU H H 38 7.849 7.849 7.700 0.149 19755 3669 1 8 . 1 1 39 39 GLU N N 39 119.119 119.119 119.119 0.000 19755 3670 1 8 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.211 0.018 19755 3671 1 8 . 1 1 39 39 GLU C C 39 179.781 179.781 179.041 0.740 19755 3672 1 8 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.957 1.215 19755 3673 1 8 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.959 1.100 19755 3674 1 8 . 1 1 39 39 GLU H H 39 7.686 7.686 7.939 -0.253 19755 3675 1 8 . 1 1 40 40 LEU N N 40 120.164 120.164 120.585 -0.421 19755 3676 1 8 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.789 -0.097 19755 3677 1 8 . 1 1 40 40 LEU C C 40 177.155 177.155 177.962 -0.807 19755 3678 1 8 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.338 -0.074 19755 3679 1 8 . 1 1 40 40 LEU CB C 40 40.449 40.449 40.929 -0.480 19755 3680 1 8 . 1 1 40 40 LEU H H 40 7.739 7.739 7.620 0.119 19755 3681 1 8 . 1 1 41 41 PHE N N 41 118.207 118.207 117.085 1.122 19755 3682 1 8 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.119 -0.314 19755 3683 1 8 . 1 1 41 41 PHE C C 41 176.387 176.387 177.842 -1.455 19755 3684 1 8 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.953 -0.589 19755 3685 1 8 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.090 -0.021 19755 3686 1 8 . 1 1 41 41 PHE H H 41 7.825 7.825 7.368 0.457 19755 3687 1 8 . 1 1 42 42 TRP N N 42 117.448 117.448 119.503 -2.055 19755 3688 1 8 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.155 -0.031 19755 3689 1 8 . 1 1 42 42 TRP C C 42 179.071 179.071 178.339 0.732 19755 3690 1 8 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.649 -1.570 19755 3691 1 8 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.345 0.109 19755 3692 1 8 . 1 1 42 42 TRP H H 42 8.266 8.266 8.860 -0.594 19755 3693 1 8 . 1 1 43 43 GLU N N 43 120.573 120.573 119.833 0.740 19755 3694 1 8 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.069 0.090 19755 3695 1 8 . 1 1 43 43 GLU C C 43 179.556 179.556 178.920 0.636 19755 3696 1 8 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.584 0.597 19755 3697 1 8 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.666 -0.164 19755 3698 1 8 . 1 1 43 43 GLU H H 43 7.918 7.918 7.978 -0.060 19755 3699 1 8 . 1 1 44 44 VAL N N 44 119.502 119.502 116.880 2.622 19755 3700 1 8 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.523 -0.078 19755 3701 1 8 . 1 1 44 44 VAL C C 44 178.356 178.356 177.797 0.559 19755 3702 1 8 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.561 0.829 19755 3703 1 8 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.267 -0.047 19755 3704 1 8 . 1 1 44 44 VAL H H 44 7.947 7.947 7.686 0.261 19755 3705 1 8 . 1 1 45 45 MET N N 45 117.691 117.691 118.949 -1.258 19755 3706 1 8 . 1 1 45 45 MET HA H 45 4.118 4.118 4.151 -0.033 19755 3707 1 8 . 1 1 45 45 MET C C 45 179.207 179.207 179.211 -0.004 19755 3708 1 8 . 1 1 45 45 MET CA C 45 56.677 56.677 57.708 -1.031 19755 3709 1 8 . 1 1 45 45 MET CB C 45 31.094 31.094 31.024 0.070 19755 3710 1 8 . 1 1 45 45 MET H H 45 7.998 7.998 8.117 -0.119 19755 3711 1 8 . 1 1 46 46 ASP N N 46 119.109 119.109 120.453 -1.344 19755 3712 1 8 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.342 0.199 19755 3713 1 8 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.347 -0.405 19755 3714 1 8 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.812 0.617 19755 3715 1 8 . 1 1 46 46 ASP H H 46 7.773 7.773 8.355 -0.582 19755 3716 1 8 . 1 1 47 47 GLU N N 47 118.018 118.018 120.262 -2.244 19755 3717 1 8 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.182 -0.014 19755 3718 1 8 . 1 1 47 47 GLU C C 47 177.957 177.957 177.544 0.413 19755 3719 1 8 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.354 -0.377 19755 3720 1 8 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.426 0.977 19755 3721 1 8 . 1 1 47 47 GLU H H 47 7.608 7.608 8.015 -0.407 19755 3722 1 8 . 1 1 48 48 VAL N N 48 115.277 115.277 111.127 4.150 19755 3723 1 8 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.431 -0.326 19755 3724 1 8 . 1 1 48 48 VAL CA C 48 62.377 62.377 61.974 0.403 19755 3725 1 8 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.237 1.629 19755 3726 1 8 . 1 1 48 48 VAL H H 48 7.508 7.508 7.460 0.048 19755 3727 1 8 . 1 1 49 49 HIS N N 49 121.222 121.222 122.518 -1.296 19755 3728 1 8 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.249 0.362 19755 3729 1 8 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.776 -2.776 19755 3730 1 8 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.318 -0.789 19755 3731 1 8 . 1 1 49 49 HIS H H 49 8.099 8.099 7.732 0.367 19755 3732 1 8 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.272 -0.050 19755 3733 1 8 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.791 -1.162 19755 3734 1 8 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.237 1.186 19755 3735 1 8 . 1 1 51 51 GLU N N 51 119.589 119.589 116.624 2.965 19755 3736 1 8 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.457 -0.223 19755 3737 1 8 . 1 1 51 51 GLU C C 51 176.279 176.279 177.005 -0.726 19755 3738 1 8 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.508 -0.961 19755 3739 1 8 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.224 0.356 19755 3740 1 8 . 1 1 51 51 GLU H H 51 8.121 8.121 7.999 0.122 19755 3741 1 8 . 1 1 52 52 GLU N N 52 122.410 122.410 116.333 6.077 19755 3742 1 8 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.491 -0.181 19755 3743 1 8 . 1 1 52 52 GLU C C 52 176.127 176.127 177.840 -1.713 19755 3744 1 8 . 1 1 52 52 GLU CA C 52 56.508 56.508 56.109 0.399 19755 3745 1 8 . 1 1 52 52 GLU CB C 52 30.565 30.565 31.042 -0.477 19755 3746 1 8 . 1 1 52 52 GLU H H 52 8.412 8.412 7.752 0.660 19755 3747 1 8 . 1 1 53 53 GLU N N 53 121.407 121.407 121.342 0.065 19755 3748 1 8 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.787 0.507 19755 3749 1 8 . 1 1 53 53 GLU C C 53 176.242 176.242 177.549 -1.307 19755 3750 1 8 . 1 1 53 53 GLU CA C 53 56.607 56.607 59.050 -2.443 19755 3751 1 8 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.407 2.032 19755 3752 1 8 . 1 1 53 53 GLU H H 53 8.361 8.361 8.126 0.235 19755 3753 1 8 . 1 1 54 54 PHE N N 54 121.128 121.128 116.734 4.394 19755 3754 1 8 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.501 0.093 19755 3755 1 8 . 1 1 54 54 PHE C C 54 176.021 176.021 175.837 0.184 19755 3756 1 8 . 1 1 54 54 PHE CA C 54 57.554 57.554 58.304 -0.750 19755 3757 1 8 . 1 1 54 54 PHE CB C 54 40.192 40.192 38.865 1.327 19755 3758 1 8 . 1 1 54 54 PHE H H 54 8.147 8.147 7.506 0.641 19755 3759 1 8 . 1 1 55 55 ALA N N 55 126.124 126.124 119.937 6.187 19755 3760 1 8 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.510 -0.089 19755 3761 1 8 . 1 1 55 55 ALA C C 55 177.391 177.391 176.332 1.059 19755 3762 1 8 . 1 1 55 55 ALA CA C 55 52.373 52.373 51.881 0.492 19755 3763 1 8 . 1 1 55 55 ALA CB C 55 19.512 19.512 21.050 -1.538 19755 3764 1 8 . 1 1 55 55 ALA H H 55 8.124 8.124 8.191 -0.067 19755 3765 1 8 . 1 1 56 56 VAL N N 56 119.019 119.019 122.034 -3.015 19755 3766 1 8 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.046 0.087 19755 3767 1 8 . 1 1 56 56 VAL C C 56 176.128 176.128 174.509 1.619 19755 3768 1 8 . 1 1 56 56 VAL CA C 56 62.306 62.306 63.031 -0.725 19755 3769 1 8 . 1 1 56 56 VAL CB C 56 33.274 33.274 30.523 2.751 19755 3770 1 8 . 1 1 56 56 VAL H H 56 7.958 7.958 7.856 0.102 19755 3771 1 8 . 1 1 57 57 GLU N N 57 124.588 124.588 123.572 1.016 19755 3772 1 8 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.462 0.033 19755 3773 1 8 . 1 1 57 57 GLU C C 57 176.082 176.082 175.357 0.725 19755 3774 1 8 . 1 1 57 57 GLU CA C 57 56.056 56.056 55.818 0.238 19755 3775 1 8 . 1 1 57 57 GLU CB C 57 31.303 31.303 30.350 0.953 19755 3776 1 8 . 1 1 57 57 GLU H H 57 8.413 8.413 8.335 0.078 19755 3777 1 8 . 1 1 58 58 GLY N N 58 110.794 110.794 108.731 2.063 19755 3778 1 8 . 1 1 58 58 GLY C C 58 170.660 170.660 172.658 -1.998 19755 3779 1 8 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.355 0.502 19755 3780 1 8 . 1 1 58 58 GLY H H 58 8.040 8.040 7.698 0.342 19755 3781 1 8 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.453 -0.022 19755 3782 1 8 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.387 0.701 19755 3783 1 8 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.758 -0.284 19755 3784 1 8 . 1 1 60 60 LEU N N 60 120.609 120.609 119.568 1.041 19755 3785 1 8 . 1 1 60 60 LEU C C 60 176.392 176.392 174.776 1.616 19755 3786 1 8 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.550 -0.626 19755 3787 1 8 . 1 1 60 60 LEU CB C 60 45.038 45.038 44.513 0.525 19755 3788 1 8 . 1 1 60 60 LEU H H 60 8.367 8.367 7.812 0.555 19755 3789 1 8 . 1 1 61 61 TRP N N 61 124.050 124.050 126.192 -2.142 19755 3790 1 8 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.875 0.086 19755 3791 1 8 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.624 -0.492 19755 3792 1 8 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.441 -2.575 19755 3793 1 8 . 1 1 61 61 TRP H H 61 9.101 9.101 8.262 0.839 19755 3794 1 8 . 1 1 62 62 ILE N N 62 121.315 121.315 121.266 0.049 19755 3795 1 8 . 1 1 62 62 ILE C C 62 174.576 174.576 174.715 -0.139 19755 3796 1 8 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.427 1.129 19755 3797 1 8 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.348 -0.709 19755 3798 1 8 . 1 1 62 62 ILE H H 62 7.863 7.863 8.597 -0.734 19755 3799 1 8 . 1 1 63 63 GLN N N 63 127.300 127.300 126.005 1.295 19755 3800 1 8 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.674 -0.140 19755 3801 1 8 . 1 1 63 63 GLN C C 63 173.768 173.768 174.208 -0.440 19755 3802 1 8 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.679 -0.270 19755 3803 1 8 . 1 1 63 63 GLN CB C 63 30.309 30.309 31.748 -1.439 19755 3804 1 8 . 1 1 63 63 GLN H H 63 8.881 8.881 9.047 -0.166 19755 3805 1 8 . 1 1 64 64 VAL N N 64 123.414 123.414 124.872 -1.458 19755 3806 1 8 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.262 0.415 19755 3807 1 8 . 1 1 64 64 VAL C C 64 174.737 174.737 175.009 -0.272 19755 3808 1 8 . 1 1 64 64 VAL CA C 64 60.965 60.965 62.977 -2.012 19755 3809 1 8 . 1 1 64 64 VAL CB C 64 34.420 34.420 32.857 1.563 19755 3810 1 8 . 1 1 64 64 VAL H H 64 8.330 8.330 8.489 -0.159 19755 3811 1 8 . 1 1 65 65 GLN N N 65 125.152 125.152 125.350 -0.198 19755 3812 1 8 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.593 0.158 19755 3813 1 8 . 1 1 65 65 GLN C C 65 174.043 174.043 173.528 0.515 19755 3814 1 8 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.565 0.856 19755 3815 1 8 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.253 -0.297 19755 3816 1 8 . 1 1 65 65 GLN H H 65 8.938 8.938 8.997 -0.059 19755 3817 1 8 . 1 1 66 66 ALA N N 66 127.534 127.534 123.728 3.806 19755 3818 1 8 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.828 -0.192 19755 3819 1 8 . 1 1 66 66 ALA C C 66 176.740 176.740 176.220 0.520 19755 3820 1 8 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.086 1.715 19755 3821 1 8 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.421 -1.075 19755 3822 1 8 . 1 1 66 66 ALA H H 66 8.808 8.808 8.613 0.195 19755 3823 1 8 . 1 1 67 67 LEU N N 67 124.609 124.609 122.021 2.588 19755 3824 1 8 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.754 0.031 19755 3825 1 8 . 1 1 67 67 LEU C C 67 177.190 177.190 178.185 -0.995 19755 3826 1 8 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.932 -0.347 19755 3827 1 8 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.665 -0.819 19755 3828 1 8 . 1 1 67 67 LEU H H 67 8.541 8.541 8.833 -0.292 19755 3829 1 8 . 1 1 68 68 ASP N N 68 120.713 120.713 119.999 0.714 19755 3830 1 8 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.462 -0.032 19755 3831 1 8 . 1 1 68 68 ASP C C 68 177.319 177.319 176.226 1.093 19755 3832 1 8 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.500 1.590 19755 3833 1 8 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.213 -0.298 19755 3834 1 8 . 1 1 68 68 ASP H H 68 8.539 8.539 8.762 -0.223 19755 3835 1 8 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.247 0.355 19755 3836 1 8 . 1 1 69 69 LYS C C 69 176.282 176.282 174.252 2.030 19755 3837 1 8 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.773 1.044 19755 3838 1 8 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.142 1.421 19755 3839 1 8 . 1 1 70 70 GLY N N 70 110.325 110.325 105.962 4.363 19755 3840 1 8 . 1 1 70 70 GLY C C 70 169.572 169.572 171.328 -1.756 19755 3841 1 8 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.506 -0.141 19755 3842 1 8 . 1 1 70 70 GLY H H 70 6.977 6.977 7.119 -0.142 19755 3843 1 8 . 1 1 71 71 LEU N N 71 116.716 116.716 118.795 -2.079 19755 3844 1 8 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.086 -0.070 19755 3845 1 8 . 1 1 71 71 LEU C C 71 174.299 174.299 175.208 -0.909 19755 3846 1 8 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.454 -1.397 19755 3847 1 8 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.672 -0.780 19755 3848 1 8 . 1 1 71 71 LEU H H 71 8.032 8.032 8.541 -0.509 19755 3849 1 8 . 1 1 72 72 GLU N N 72 120.507 120.507 122.298 -1.791 19755 3850 1 8 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.054 -0.088 19755 3851 1 8 . 1 1 72 72 GLU C C 72 174.588 174.588 175.341 -0.753 19755 3852 1 8 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.868 -0.834 19755 3853 1 8 . 1 1 72 72 GLU CB C 72 33.392 33.392 32.009 1.383 19755 3854 1 8 . 1 1 72 72 GLU H H 72 8.739 8.739 8.537 0.202 19755 3855 1 8 . 1 1 73 73 ILE N N 73 127.226 127.226 122.714 4.512 19755 3856 1 8 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.576 -0.050 19755 3857 1 8 . 1 1 73 73 ILE C C 73 173.786 173.786 174.520 -0.734 19755 3858 1 8 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.858 0.570 19755 3859 1 8 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.922 -0.817 19755 3860 1 8 . 1 1 73 73 ILE H H 73 8.755 8.755 8.658 0.097 19755 3861 1 8 . 1 1 74 74 ILE N N 74 126.107 126.107 128.694 -2.587 19755 3862 1 8 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.467 0.199 19755 3863 1 8 . 1 1 74 74 ILE C C 74 175.304 175.304 174.971 0.333 19755 3864 1 8 . 1 1 74 74 ILE CA C 74 60.808 60.808 60.246 0.562 19755 3865 1 8 . 1 1 74 74 ILE CB C 74 40.432 40.432 39.631 0.801 19755 3866 1 8 . 1 1 74 74 ILE H H 74 8.691 8.691 8.911 -0.220 19755 3867 1 8 . 1 1 75 75 VAL N N 75 128.967 128.967 124.637 4.330 19755 3868 1 8 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.095 -0.490 19755 3869 1 8 . 1 1 75 75 VAL C C 75 174.187 174.187 175.178 -0.991 19755 3870 1 8 . 1 1 75 75 VAL CA C 75 61.420 61.420 60.221 1.199 19755 3871 1 8 . 1 1 75 75 VAL CB C 75 33.645 33.645 33.932 -0.287 19755 3872 1 8 . 1 1 75 75 VAL H H 75 9.178 9.178 9.246 -0.068 19755 3873 1 8 . 1 1 76 76 THR HA H 76 5.743 5.743 4.975 0.768 19755 3874 1 8 . 1 1 76 76 THR CA C 76 59.957 59.957 59.536 0.421 19755 3875 1 8 . 1 1 76 76 THR CB C 76 71.833 71.833 71.846 -0.013 19755 3876 1 8 . 1 1 77 77 LYS N N 77 124.204 124.204 120.291 3.913 19755 3877 1 8 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.725 -0.137 19755 3878 1 8 . 1 1 77 77 LYS CA C 77 55.751 55.751 55.771 -0.020 19755 3879 1 8 . 1 1 77 77 LYS CB C 77 33.947 33.947 36.728 -2.781 19755 3880 1 8 . 1 1 77 77 LYS H H 77 8.688 8.688 8.349 0.339 19755 3881 1 8 . 1 1 78 78 ALA N N 78 125.102 125.102 122.386 2.716 19755 3882 1 8 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.256 -0.280 19755 3883 1 8 . 1 1 78 78 ALA C C 78 176.776 176.776 175.528 1.248 19755 3884 1 8 . 1 1 78 78 ALA CA C 78 52.431 52.431 51.563 0.868 19755 3885 1 8 . 1 1 78 78 ALA CB C 78 19.542 19.542 20.209 -0.667 19755 3886 1 8 . 1 1 78 78 ALA H H 78 8.137 8.137 8.247 -0.110 19755 3887 1 8 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.490 -0.405 19755 3888 1 8 . 1 1 79 79 GLN CA C 79 55.540 55.540 54.598 0.942 19755 3889 1 8 . 1 1 79 79 GLN CB C 79 29.617 29.617 31.629 -2.012 19755 3890 1 8 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.137 0.158 19755 3891 1 8 . 1 1 80 80 LEU CA C 80 55.034 55.034 56.946 -1.912 19755 3892 1 8 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.250 0.070 19755 3893 1 8 . 1 1 81 81 SER N N 81 116.580 116.580 112.264 4.316 19755 3894 1 8 . 1 1 81 81 SER HA H 81 4.291 4.291 4.375 -0.084 19755 3895 1 8 . 1 1 81 81 SER C C 81 174.770 174.770 175.059 -0.289 19755 3896 1 8 . 1 1 81 81 SER CA C 81 58.674 58.674 59.733 -1.059 19755 3897 1 8 . 1 1 81 81 SER CB C 81 63.931 63.931 62.568 1.363 19755 3898 1 8 . 1 1 81 81 SER H H 81 8.214 8.214 8.523 -0.309 19755 3899 1 8 . 1 1 82 82 LYS N N 82 122.968 122.968 120.717 2.251 19755 3900 1 8 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.068 0.215 19755 3901 1 8 . 1 1 82 82 LYS C C 82 176.222 176.222 175.679 0.543 19755 3902 1 8 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.373 -1.831 19755 3903 1 8 . 1 1 82 82 LYS CB C 82 32.941 32.941 33.102 -0.161 19755 3904 1 8 . 1 1 82 82 LYS H H 82 8.255 8.255 7.540 0.715 19755 3905 1 8 . 1 1 83 83 ASP N N 83 120.305 120.305 115.153 5.152 19755 3906 1 8 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.741 -0.195 19755 3907 1 8 . 1 1 83 83 ASP C C 83 176.527 176.527 175.620 0.907 19755 3908 1 8 . 1 1 83 83 ASP CA C 83 54.864 54.864 53.307 1.557 19755 3909 1 8 . 1 1 83 83 ASP CB C 83 41.156 41.156 42.290 -1.134 19755 3910 1 8 . 1 1 83 83 ASP H H 83 8.158 8.158 7.883 0.275 19755 3911 1 8 . 1 1 84 84 LEU N N 84 121.499 121.499 126.982 -5.483 19755 3912 1 8 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.527 -0.344 19755 3913 1 8 . 1 1 84 84 LEU C C 84 177.585 177.585 175.730 1.855 19755 3914 1 8 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.835 -0.793 19755 3915 1 8 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.373 -0.994 19755 3916 1 8 . 1 1 84 84 LEU H H 84 7.955 7.955 8.213 -0.258 19755 3917 1 8 . 1 1 85 85 ASP N N 85 119.668 119.668 118.571 1.097 19755 3918 1 8 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.667 -0.167 19755 3919 1 8 . 1 1 85 85 ASP C C 85 176.445 176.445 176.109 0.336 19755 3920 1 8 . 1 1 85 85 ASP CA C 85 55.143 55.143 53.945 1.198 19755 3921 1 8 . 1 1 85 85 ASP CB C 85 41.116 41.116 40.931 0.185 19755 3922 1 8 . 1 1 85 85 ASP H H 85 8.207 8.207 8.270 -0.063 19755 3923 1 8 . 1 1 86 86 LYS N N 86 119.760 119.760 120.335 -0.575 19755 3924 1 8 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.343 -0.090 19755 3925 1 8 . 1 1 86 86 LYS C C 86 176.336 176.336 177.274 -0.938 19755 3926 1 8 . 1 1 86 86 LYS CA C 86 56.519 56.519 55.854 0.665 19755 3927 1 8 . 1 1 86 86 LYS CB C 86 33.072 33.072 32.771 0.301 19755 3928 1 8 . 1 1 86 86 LYS H H 86 7.843 7.843 8.235 -0.392 19755 3929 1 8 . 1 1 87 87 LEU N N 87 122.086 122.086 123.831 -1.745 19755 3930 1 8 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.293 0.016 19755 3931 1 8 . 1 1 87 87 LEU C C 87 176.952 176.952 176.603 0.349 19755 3932 1 8 . 1 1 87 87 LEU CA C 87 55.369 55.369 55.411 -0.042 19755 3933 1 8 . 1 1 87 87 LEU CB C 87 42.407 42.407 41.899 0.508 19755 3934 1 8 . 1 1 87 87 LEU H H 87 8.008 8.008 8.286 -0.278 19755 3935 1 8 . 1 1 88 88 VAL N N 88 122.409 122.409 118.722 3.687 19755 3936 1 8 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.613 -0.239 19755 3937 1 8 . 1 1 88 88 VAL C C 88 174.225 174.225 174.013 0.212 19755 3938 1 8 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.118 0.874 19755 3939 1 8 . 1 1 88 88 VAL CB C 88 32.946 32.946 32.262 0.684 19755 3940 1 8 . 1 1 88 88 VAL H H 88 7.919 7.919 8.090 -0.171 19755 3941 1 8 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.490 -0.120 19755 3942 1 8 . 1 1 89 89 PRO C C 89 176.035 176.035 176.629 -0.594 19755 3943 1 8 . 1 1 89 89 PRO CA C 89 63.592 63.592 62.906 0.686 19755 3944 1 8 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.188 0.030 19755 3945 1 9 . 1 1 2 2 GLU N N 2 123.952 123.952 121.553 2.399 19755 3946 1 9 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.834 -0.153 19755 3947 1 9 . 1 1 2 2 GLU C C 2 174.704 174.704 175.576 -0.872 19755 3948 1 9 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.183 0.683 19755 3949 1 9 . 1 1 2 2 GLU CB C 2 32.406 32.406 29.830 2.576 19755 3950 1 9 . 1 1 2 2 GLU H H 2 8.571 8.571 8.650 -0.079 19755 3951 1 9 . 1 1 3 3 ILE N N 3 121.558 121.558 122.914 -1.356 19755 3952 1 9 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.202 0.510 19755 3953 1 9 . 1 1 3 3 ILE C C 3 174.736 174.736 176.632 -1.896 19755 3954 1 9 . 1 1 3 3 ILE CA C 3 60.277 60.277 60.778 -0.501 19755 3955 1 9 . 1 1 3 3 ILE CB C 3 40.861 40.861 38.234 2.627 19755 3956 1 9 . 1 1 3 3 ILE H H 3 8.565 8.565 8.393 0.172 19755 3957 1 9 . 1 1 4 4 GLU N N 4 126.319 126.319 126.188 0.131 19755 3958 1 9 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.641 -0.080 19755 3959 1 9 . 1 1 4 4 GLU C C 4 174.708 174.708 174.517 0.191 19755 3960 1 9 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.778 0.450 19755 3961 1 9 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.708 -0.699 19755 3962 1 9 . 1 1 4 4 GLU H H 4 9.153 9.153 8.975 0.178 19755 3963 1 9 . 1 1 5 5 ARG N N 5 127.727 127.727 126.430 1.297 19755 3964 1 9 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.538 0.022 19755 3965 1 9 . 1 1 5 5 ARG C C 5 175.807 175.807 175.806 0.001 19755 3966 1 9 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.918 0.205 19755 3967 1 9 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.774 -0.121 19755 3968 1 9 . 1 1 5 5 ARG H H 5 9.002 9.002 8.857 0.145 19755 3969 1 9 . 1 1 6 6 ILE N N 6 129.149 129.149 128.762 0.387 19755 3970 1 9 . 1 1 6 6 ILE HA H 6 3.904 3.904 4.076 -0.172 19755 3971 1 9 . 1 1 6 6 ILE C C 6 176.468 176.468 176.637 -0.169 19755 3972 1 9 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.602 0.368 19755 3973 1 9 . 1 1 6 6 ILE CB C 6 38.162 38.162 38.152 0.010 19755 3974 1 9 . 1 1 6 6 ILE H H 6 8.030 8.030 8.608 -0.578 19755 3975 1 9 . 1 1 7 7 ASN N N 7 112.808 112.808 115.797 -2.989 19755 3976 1 9 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.914 -0.355 19755 3977 1 9 . 1 1 7 7 ASN C C 7 175.254 175.254 174.850 0.404 19755 3978 1 9 . 1 1 7 7 ASN CA C 7 52.853 52.853 52.197 0.656 19755 3979 1 9 . 1 1 7 7 ASN CB C 7 38.275 38.275 38.985 -0.710 19755 3980 1 9 . 1 1 7 7 ASN H H 7 8.147 8.147 7.940 0.207 19755 3981 1 9 . 1 1 8 8 GLU N N 8 121.087 121.087 118.275 2.812 19755 3982 1 9 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.093 -0.043 19755 3983 1 9 . 1 1 8 8 GLU C C 8 176.486 176.486 177.702 -1.216 19755 3984 1 9 . 1 1 8 8 GLU CA C 8 59.802 59.802 60.388 -0.586 19755 3985 1 9 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.497 -0.046 19755 3986 1 9 . 1 1 8 8 GLU H H 8 8.770 8.770 8.897 -0.127 19755 3987 1 9 . 1 1 9 9 HIS N N 9 113.719 113.719 114.964 -1.245 19755 3988 1 9 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.879 0.086 19755 3989 1 9 . 1 1 9 9 HIS CA C 9 55.805 55.805 57.203 -1.398 19755 3990 1 9 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.282 0.702 19755 3991 1 9 . 1 1 9 9 HIS H H 9 7.921 7.921 8.461 -0.540 19755 3992 1 9 . 1 1 10 10 THR N N 10 116.218 116.218 115.082 1.136 19755 3993 1 9 . 1 1 10 10 THR HA H 10 5.736 5.736 5.291 0.445 19755 3994 1 9 . 1 1 10 10 THR C C 10 173.396 173.396 173.203 0.193 19755 3995 1 9 . 1 1 10 10 THR CA C 10 62.820 62.820 61.980 0.840 19755 3996 1 9 . 1 1 10 10 THR CB C 10 71.465 71.465 71.282 0.183 19755 3997 1 9 . 1 1 10 10 THR H H 10 7.349 7.349 8.643 -1.294 19755 3998 1 9 . 1 1 11 11 VAL N N 11 124.880 124.880 119.426 5.454 19755 3999 1 9 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.036 -0.179 19755 4000 1 9 . 1 1 11 11 VAL C C 11 172.156 172.156 173.620 -1.464 19755 4001 1 9 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.073 0.803 19755 4002 1 9 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.079 0.907 19755 4003 1 9 . 1 1 11 11 VAL H H 11 9.043 9.043 9.217 -0.174 19755 4004 1 9 . 1 1 12 12 LYS N N 12 124.164 124.164 119.839 4.325 19755 4005 1 9 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.465 0.119 19755 4006 1 9 . 1 1 12 12 LYS C C 12 173.380 173.380 174.954 -1.574 19755 4007 1 9 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.445 -0.240 19755 4008 1 9 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.917 0.540 19755 4009 1 9 . 1 1 12 12 LYS H H 12 8.884 8.884 8.435 0.449 19755 4010 1 9 . 1 1 13 13 PHE N N 13 124.228 124.228 114.072 10.156 19755 4011 1 9 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.486 -0.158 19755 4012 1 9 . 1 1 13 13 PHE C C 13 172.237 172.237 172.899 -0.662 19755 4013 1 9 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.062 -0.076 19755 4014 1 9 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.031 -0.115 19755 4015 1 9 . 1 1 13 13 PHE H H 13 8.989 8.989 8.838 0.151 19755 4016 1 9 . 1 1 14 14 TYR N N 14 121.263 121.263 121.535 -0.272 19755 4017 1 9 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.415 -0.028 19755 4018 1 9 . 1 1 14 14 TYR C C 14 174.713 174.713 173.714 0.999 19755 4019 1 9 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.755 0.198 19755 4020 1 9 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.335 -0.827 19755 4021 1 9 . 1 1 14 14 TYR H H 14 8.670 8.670 8.885 -0.215 19755 4022 1 9 . 1 1 15 15 MET N N 15 124.869 124.869 126.580 -1.711 19755 4023 1 9 . 1 1 15 15 MET HA H 15 4.417 4.417 4.722 -0.305 19755 4024 1 9 . 1 1 15 15 MET C C 15 173.614 173.614 173.668 -0.054 19755 4025 1 9 . 1 1 15 15 MET CA C 15 54.305 54.305 54.374 -0.069 19755 4026 1 9 . 1 1 15 15 MET CB C 15 37.439 37.439 35.900 1.539 19755 4027 1 9 . 1 1 15 15 MET H H 15 7.927 7.927 8.580 -0.653 19755 4028 1 9 . 1 1 16 16 SER N N 16 120.626 120.626 123.114 -2.488 19755 4029 1 9 . 1 1 16 16 SER HA H 16 4.396 4.396 4.289 0.107 19755 4030 1 9 . 1 1 16 16 SER C C 16 175.508 175.508 176.005 -0.497 19755 4031 1 9 . 1 1 16 16 SER CA C 16 57.637 57.637 58.505 -0.868 19755 4032 1 9 . 1 1 16 16 SER CB C 16 65.033 65.033 63.846 1.187 19755 4033 1 9 . 1 1 16 16 SER H H 16 9.061 9.061 8.475 0.586 19755 4034 1 9 . 1 1 17 17 TYR N N 17 119.917 119.917 124.130 -4.213 19755 4035 1 9 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.259 0.101 19755 4036 1 9 . 1 1 17 17 TYR C C 17 178.684 178.684 178.099 0.585 19755 4037 1 9 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.225 1.730 19755 4038 1 9 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.475 -0.486 19755 4039 1 9 . 1 1 17 17 TYR H H 17 8.411 8.411 8.553 -0.142 19755 4040 1 9 . 1 1 18 18 GLY N N 18 107.011 107.011 105.943 1.068 19755 4041 1 9 . 1 1 18 18 GLY C C 18 175.454 175.454 175.866 -0.412 19755 4042 1 9 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.490 0.956 19755 4043 1 9 . 1 1 18 18 GLY H H 18 8.534 8.534 8.775 -0.241 19755 4044 1 9 . 1 1 19 19 ASP N N 19 122.947 122.947 122.007 0.940 19755 4045 1 9 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.479 -0.087 19755 4046 1 9 . 1 1 19 19 ASP C C 19 179.020 179.020 178.275 0.745 19755 4047 1 9 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.278 0.166 19755 4048 1 9 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.071 -0.157 19755 4049 1 9 . 1 1 19 19 ASP H H 19 7.788 7.788 7.940 -0.152 19755 4050 1 9 . 1 1 20 20 ILE N N 20 119.114 119.114 120.314 -1.200 19755 4051 1 9 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.683 -0.155 19755 4052 1 9 . 1 1 20 20 ILE C C 20 177.939 177.939 177.835 0.104 19755 4053 1 9 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.736 1.575 19755 4054 1 9 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.194 0.692 19755 4055 1 9 . 1 1 20 20 ILE H H 20 7.762 7.762 7.457 0.305 19755 4056 1 9 . 1 1 21 21 GLU N N 21 119.999 119.999 120.040 -0.041 19755 4057 1 9 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.230 0.352 19755 4058 1 9 . 1 1 21 21 GLU C C 21 181.888 181.888 179.142 2.746 19755 4059 1 9 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.496 -0.289 19755 4060 1 9 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.300 0.114 19755 4061 1 9 . 1 1 21 21 GLU H H 21 8.113 8.113 8.423 -0.310 19755 4062 1 9 . 1 1 22 22 ASP N N 22 122.667 122.667 119.706 2.961 19755 4063 1 9 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.473 0.001 19755 4064 1 9 . 1 1 22 22 ASP C C 22 178.184 178.184 178.393 -0.209 19755 4065 1 9 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.431 0.904 19755 4066 1 9 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.009 -0.142 19755 4067 1 9 . 1 1 22 22 ASP H H 22 8.699 8.699 8.036 0.663 19755 4068 1 9 . 1 1 23 23 ARG N N 23 116.862 116.862 116.885 -0.023 19755 4069 1 9 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.343 0.001 19755 4070 1 9 . 1 1 23 23 ARG C C 23 176.101 176.101 176.974 -0.873 19755 4071 1 9 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.638 0.014 19755 4072 1 9 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.617 0.180 19755 4073 1 9 . 1 1 23 23 ARG H H 23 7.380 7.380 7.655 -0.275 19755 4074 1 9 . 1 1 24 24 GLY N N 24 106.318 106.318 106.381 -0.063 19755 4075 1 9 . 1 1 24 24 GLY C C 24 174.117 174.117 175.056 -0.939 19755 4076 1 9 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.319 0.174 19755 4077 1 9 . 1 1 24 24 GLY H H 24 8.004 8.004 7.882 0.122 19755 4078 1 9 . 1 1 25 25 PHE N N 25 118.274 118.274 119.857 -1.583 19755 4079 1 9 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.598 0.024 19755 4080 1 9 . 1 1 25 25 PHE C C 25 174.127 174.127 174.448 -0.321 19755 4081 1 9 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.576 -0.646 19755 4082 1 9 . 1 1 25 25 PHE CB C 25 41.871 41.871 39.689 2.182 19755 4083 1 9 . 1 1 25 25 PHE H H 25 7.550 7.550 8.187 -0.637 19755 4084 1 9 . 1 1 26 26 ASP N N 26 121.320 121.320 117.660 3.660 19755 4085 1 9 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.976 -0.082 19755 4086 1 9 . 1 1 26 26 ASP C C 26 177.370 177.370 177.274 0.096 19755 4087 1 9 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.238 0.869 19755 4088 1 9 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.816 0.250 19755 4089 1 9 . 1 1 26 26 ASP H H 26 8.891 8.891 8.403 0.488 19755 4090 1 9 . 1 1 27 27 ARG N N 27 124.100 124.100 123.172 0.928 19755 4091 1 9 . 1 1 27 27 ARG HA H 27 3.842 3.842 4.010 -0.168 19755 4092 1 9 . 1 1 27 27 ARG C C 27 176.201 176.201 177.301 -1.100 19755 4093 1 9 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.273 0.584 19755 4094 1 9 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.175 -0.500 19755 4095 1 9 . 1 1 27 27 ARG H H 27 9.033 9.033 8.714 0.319 19755 4096 1 9 . 1 1 28 28 GLU N N 28 118.451 118.451 118.894 -0.443 19755 4097 1 9 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.498 -0.461 19755 4098 1 9 . 1 1 28 28 GLU C C 28 178.889 178.889 179.065 -0.176 19755 4099 1 9 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.108 0.147 19755 4100 1 9 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.401 0.049 19755 4101 1 9 . 1 1 28 28 GLU H H 28 8.362 8.362 8.087 0.275 19755 4102 1 9 . 1 1 29 29 GLU N N 29 118.302 118.302 120.643 -2.341 19755 4103 1 9 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.198 -0.113 19755 4104 1 9 . 1 1 29 29 GLU C C 29 178.137 178.137 178.940 -0.803 19755 4105 1 9 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.235 -0.275 19755 4106 1 9 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.147 1.305 19755 4107 1 9 . 1 1 29 29 GLU H H 29 7.821 7.821 8.491 -0.670 19755 4108 1 9 . 1 1 30 30 ILE N N 30 115.456 115.456 119.067 -3.611 19755 4109 1 9 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.665 -0.038 19755 4110 1 9 . 1 1 30 30 ILE C C 30 176.229 176.229 177.783 -1.554 19755 4111 1 9 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.786 -3.723 19755 4112 1 9 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.767 -0.827 19755 4113 1 9 . 1 1 30 30 ILE H H 30 7.363 7.363 8.413 -1.050 19755 4114 1 9 . 1 1 31 31 TRP N N 31 116.714 116.714 118.282 -1.568 19755 4115 1 9 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.279 -0.129 19755 4116 1 9 . 1 1 31 31 TRP C C 31 178.092 178.092 178.398 -0.306 19755 4117 1 9 . 1 1 31 31 TRP CA C 31 59.618 59.618 59.298 0.320 19755 4118 1 9 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.142 0.486 19755 4119 1 9 . 1 1 31 31 TRP H H 31 7.410 7.410 7.155 0.255 19755 4120 1 9 . 1 1 32 32 TYR N N 32 112.769 112.769 113.582 -0.813 19755 4121 1 9 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.607 0.159 19755 4122 1 9 . 1 1 32 32 TYR C C 32 175.767 175.767 175.964 -0.197 19755 4123 1 9 . 1 1 32 32 TYR CA C 32 58.632 58.632 58.405 0.227 19755 4124 1 9 . 1 1 32 32 TYR CB C 32 40.222 40.222 38.018 2.204 19755 4125 1 9 . 1 1 32 32 TYR H H 32 7.577 7.577 7.448 0.129 19755 4126 1 9 . 1 1 33 33 ASN N N 33 120.521 120.521 119.249 1.272 19755 4127 1 9 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.113 -0.065 19755 4128 1 9 . 1 1 33 33 ASN C C 33 174.851 174.851 175.057 -0.206 19755 4129 1 9 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.786 -0.466 19755 4130 1 9 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.570 -0.357 19755 4131 1 9 . 1 1 33 33 ASN H H 33 8.364 8.364 7.711 0.653 19755 4132 1 9 . 1 1 34 34 ARG N N 34 126.163 126.163 125.963 0.200 19755 4133 1 9 . 1 1 34 34 ARG HA H 34 4.185 4.185 4.005 0.180 19755 4134 1 9 . 1 1 34 34 ARG C C 34 178.509 178.509 177.601 0.908 19755 4135 1 9 . 1 1 34 34 ARG CA C 34 58.504 58.504 59.556 -1.052 19755 4136 1 9 . 1 1 34 34 ARG CB C 34 29.493 29.493 29.902 -0.409 19755 4137 1 9 . 1 1 34 34 ARG H H 34 8.830 8.830 8.900 -0.070 19755 4138 1 9 . 1 1 35 35 GLU N N 35 118.994 118.994 117.938 1.056 19755 4139 1 9 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.301 -0.141 19755 4140 1 9 . 1 1 35 35 GLU C C 35 179.839 179.839 178.385 1.454 19755 4141 1 9 . 1 1 35 35 GLU CA C 35 60.191 60.191 58.839 1.352 19755 4142 1 9 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.813 0.620 19755 4143 1 9 . 1 1 35 35 GLU H H 35 8.380 8.380 8.851 -0.471 19755 4144 1 9 . 1 1 36 36 ARG N N 36 119.197 119.197 119.591 -0.394 19755 4145 1 9 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.519 -0.119 19755 4146 1 9 . 1 1 36 36 ARG C C 36 178.217 178.217 178.910 -0.693 19755 4147 1 9 . 1 1 36 36 ARG CA C 36 57.394 57.394 57.187 0.207 19755 4148 1 9 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.650 -0.115 19755 4149 1 9 . 1 1 36 36 ARG H H 36 7.686 7.686 8.062 -0.376 19755 4150 1 9 . 1 1 37 37 SER N N 37 114.607 114.607 116.455 -1.848 19755 4151 1 9 . 1 1 37 37 SER HA H 37 3.899 3.899 4.137 -0.238 19755 4152 1 9 . 1 1 37 37 SER C C 37 178.298 178.298 176.401 1.897 19755 4153 1 9 . 1 1 37 37 SER CA C 37 62.455 62.455 61.874 0.581 19755 4154 1 9 . 1 1 37 37 SER CB C 37 62.542 62.542 62.581 -0.039 19755 4155 1 9 . 1 1 37 37 SER H H 37 8.282 8.282 8.352 -0.070 19755 4156 1 9 . 1 1 38 38 GLU N N 38 121.063 121.063 122.402 -1.339 19755 4157 1 9 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.202 -0.446 19755 4158 1 9 . 1 1 38 38 GLU C C 38 177.182 177.182 178.818 -1.636 19755 4159 1 9 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.800 0.498 19755 4160 1 9 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.607 -0.333 19755 4161 1 9 . 1 1 38 38 GLU H H 38 7.849 7.849 7.703 0.146 19755 4162 1 9 . 1 1 39 39 GLU N N 39 119.119 119.119 119.063 0.056 19755 4163 1 9 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.226 0.003 19755 4164 1 9 . 1 1 39 39 GLU C C 39 179.781 179.781 178.994 0.787 19755 4165 1 9 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.886 1.286 19755 4166 1 9 . 1 1 39 39 GLU CB C 39 30.059 30.059 29.020 1.039 19755 4167 1 9 . 1 1 39 39 GLU H H 39 7.686 7.686 7.866 -0.180 19755 4168 1 9 . 1 1 40 40 LEU N N 40 120.164 120.164 120.692 -0.528 19755 4169 1 9 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.619 0.073 19755 4170 1 9 . 1 1 40 40 LEU C C 40 177.155 177.155 177.787 -0.632 19755 4171 1 9 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.376 -0.112 19755 4172 1 9 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.334 -0.885 19755 4173 1 9 . 1 1 40 40 LEU H H 40 7.739 7.739 7.870 -0.131 19755 4174 1 9 . 1 1 41 41 PHE N N 41 118.207 118.207 116.887 1.320 19755 4175 1 9 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.135 -0.330 19755 4176 1 9 . 1 1 41 41 PHE C C 41 176.387 176.387 177.901 -1.514 19755 4177 1 9 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.699 -0.335 19755 4178 1 9 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.118 -0.049 19755 4179 1 9 . 1 1 41 41 PHE H H 41 7.825 7.825 7.258 0.567 19755 4180 1 9 . 1 1 42 42 TRP N N 42 117.448 117.448 119.118 -1.670 19755 4181 1 9 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.161 -0.037 19755 4182 1 9 . 1 1 42 42 TRP C C 42 179.071 179.071 178.553 0.518 19755 4183 1 9 . 1 1 42 42 TRP CA C 42 60.079 60.079 60.989 -0.910 19755 4184 1 9 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.168 0.286 19755 4185 1 9 . 1 1 42 42 TRP H H 42 8.266 8.266 8.695 -0.429 19755 4186 1 9 . 1 1 43 43 GLU N N 43 120.573 120.573 118.642 1.931 19755 4187 1 9 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.002 0.157 19755 4188 1 9 . 1 1 43 43 GLU C C 43 179.556 179.556 179.154 0.402 19755 4189 1 9 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.515 0.666 19755 4190 1 9 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.219 0.283 19755 4191 1 9 . 1 1 43 43 GLU H H 43 7.918 7.918 7.773 0.145 19755 4192 1 9 . 1 1 44 44 VAL N N 44 119.502 119.502 117.189 2.313 19755 4193 1 9 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.561 -0.116 19755 4194 1 9 . 1 1 44 44 VAL C C 44 178.356 178.356 177.899 0.457 19755 4195 1 9 . 1 1 44 44 VAL CA C 44 66.390 66.390 64.977 1.413 19755 4196 1 9 . 1 1 44 44 VAL CB C 44 31.220 31.220 30.414 0.806 19755 4197 1 9 . 1 1 44 44 VAL H H 44 7.947 7.947 7.557 0.390 19755 4198 1 9 . 1 1 45 45 MET N N 45 117.691 117.691 119.587 -1.896 19755 4199 1 9 . 1 1 45 45 MET HA H 45 4.118 4.118 4.096 0.022 19755 4200 1 9 . 1 1 45 45 MET C C 45 179.207 179.207 178.902 0.305 19755 4201 1 9 . 1 1 45 45 MET CA C 45 56.677 56.677 58.426 -1.749 19755 4202 1 9 . 1 1 45 45 MET CB C 45 31.094 31.094 31.654 -0.560 19755 4203 1 9 . 1 1 45 45 MET H H 45 7.998 7.998 8.290 -0.292 19755 4204 1 9 . 1 1 46 46 ASP N N 46 119.109 119.109 120.422 -1.313 19755 4205 1 9 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.076 0.465 19755 4206 1 9 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.054 -0.112 19755 4207 1 9 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.729 0.699 19755 4208 1 9 . 1 1 46 46 ASP H H 46 7.773 7.773 8.173 -0.400 19755 4209 1 9 . 1 1 47 47 GLU N N 47 118.018 118.018 118.143 -0.125 19755 4210 1 9 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.191 -0.023 19755 4211 1 9 . 1 1 47 47 GLU C C 47 177.957 177.957 177.734 0.223 19755 4212 1 9 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.481 -0.504 19755 4213 1 9 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.728 0.675 19755 4214 1 9 . 1 1 47 47 GLU H H 47 7.608 7.608 7.840 -0.232 19755 4215 1 9 . 1 1 48 48 VAL N N 48 115.277 115.277 110.018 5.259 19755 4216 1 9 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.546 -0.441 19755 4217 1 9 . 1 1 48 48 VAL CA C 48 62.377 62.377 61.496 0.881 19755 4218 1 9 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.688 1.179 19755 4219 1 9 . 1 1 48 48 VAL H H 48 7.508 7.508 7.716 -0.208 19755 4220 1 9 . 1 1 49 49 HIS N N 49 121.222 121.222 122.332 -1.110 19755 4221 1 9 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.200 0.411 19755 4222 1 9 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.584 -2.584 19755 4223 1 9 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.617 -1.088 19755 4224 1 9 . 1 1 49 49 HIS H H 49 8.099 8.099 7.721 0.378 19755 4225 1 9 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.351 -0.129 19755 4226 1 9 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.593 -0.964 19755 4227 1 9 . 1 1 50 50 GLU CB C 50 30.423 30.423 28.928 1.495 19755 4228 1 9 . 1 1 51 51 GLU N N 51 119.589 119.589 119.533 0.056 19755 4229 1 9 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.465 -0.231 19755 4230 1 9 . 1 1 51 51 GLU C C 51 176.279 176.279 178.927 -2.648 19755 4231 1 9 . 1 1 51 51 GLU CA C 51 56.547 56.547 58.523 -1.976 19755 4232 1 9 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.495 0.086 19755 4233 1 9 . 1 1 51 51 GLU H H 51 8.121 8.121 8.166 -0.045 19755 4234 1 9 . 1 1 52 52 GLU N N 52 122.410 122.410 120.035 2.375 19755 4235 1 9 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.059 0.251 19755 4236 1 9 . 1 1 52 52 GLU C C 52 176.127 176.127 178.267 -2.140 19755 4237 1 9 . 1 1 52 52 GLU CA C 52 56.508 56.508 58.720 -2.212 19755 4238 1 9 . 1 1 52 52 GLU CB C 52 30.565 30.565 29.264 1.301 19755 4239 1 9 . 1 1 52 52 GLU H H 52 8.412 8.412 8.417 -0.005 19755 4240 1 9 . 1 1 53 53 GLU N N 53 121.407 121.407 118.788 2.619 19755 4241 1 9 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.844 0.451 19755 4242 1 9 . 1 1 53 53 GLU C C 53 176.242 176.242 177.463 -1.221 19755 4243 1 9 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.292 -1.685 19755 4244 1 9 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.576 1.863 19755 4245 1 9 . 1 1 53 53 GLU H H 53 8.361 8.361 8.046 0.315 19755 4246 1 9 . 1 1 54 54 PHE N N 54 121.128 121.128 116.623 4.505 19755 4247 1 9 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.701 -0.107 19755 4248 1 9 . 1 1 54 54 PHE C C 54 176.021 176.021 175.265 0.756 19755 4249 1 9 . 1 1 54 54 PHE CA C 54 57.554 57.554 57.643 -0.089 19755 4250 1 9 . 1 1 54 54 PHE CB C 54 40.192 40.192 40.388 -0.196 19755 4251 1 9 . 1 1 54 54 PHE H H 54 8.147 8.147 7.694 0.453 19755 4252 1 9 . 1 1 55 55 ALA N N 55 126.124 126.124 120.821 5.303 19755 4253 1 9 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.486 -0.065 19755 4254 1 9 . 1 1 55 55 ALA C C 55 177.391 177.391 176.314 1.077 19755 4255 1 9 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.147 0.226 19755 4256 1 9 . 1 1 55 55 ALA CB C 55 19.512 19.512 21.190 -1.678 19755 4257 1 9 . 1 1 55 55 ALA H H 55 8.124 8.124 8.120 0.004 19755 4258 1 9 . 1 1 56 56 VAL N N 56 119.019 119.019 120.583 -1.564 19755 4259 1 9 . 1 1 56 56 VAL HA H 56 4.133 4.133 3.944 0.189 19755 4260 1 9 . 1 1 56 56 VAL C C 56 176.128 176.128 175.447 0.681 19755 4261 1 9 . 1 1 56 56 VAL CA C 56 62.306 62.306 62.756 -0.450 19755 4262 1 9 . 1 1 56 56 VAL CB C 56 33.274 33.274 30.277 2.997 19755 4263 1 9 . 1 1 56 56 VAL H H 56 7.958 7.958 7.940 0.018 19755 4264 1 9 . 1 1 57 57 GLU N N 57 124.588 124.588 123.438 1.150 19755 4265 1 9 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.310 0.185 19755 4266 1 9 . 1 1 57 57 GLU C C 57 176.082 176.082 176.096 -0.014 19755 4267 1 9 . 1 1 57 57 GLU CA C 57 56.056 56.056 56.839 -0.783 19755 4268 1 9 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.924 1.379 19755 4269 1 9 . 1 1 57 57 GLU H H 57 8.413 8.413 7.863 0.550 19755 4270 1 9 . 1 1 58 58 GLY N N 58 110.794 110.794 108.454 2.340 19755 4271 1 9 . 1 1 58 58 GLY C C 58 170.660 170.660 171.845 -1.185 19755 4272 1 9 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.224 0.633 19755 4273 1 9 . 1 1 58 58 GLY H H 58 8.040 8.040 7.642 0.398 19755 4274 1 9 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.535 -0.104 19755 4275 1 9 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.487 0.601 19755 4276 1 9 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.874 -0.400 19755 4277 1 9 . 1 1 60 60 LEU N N 60 120.609 120.609 119.358 1.251 19755 4278 1 9 . 1 1 60 60 LEU C C 60 176.392 176.392 177.041 -0.649 19755 4279 1 9 . 1 1 60 60 LEU CA C 60 53.924 53.924 55.414 -1.490 19755 4280 1 9 . 1 1 60 60 LEU CB C 60 45.038 45.038 42.309 2.729 19755 4281 1 9 . 1 1 60 60 LEU H H 60 8.367 8.367 8.228 0.139 19755 4282 1 9 . 1 1 61 61 TRP N N 61 124.050 124.050 122.667 1.383 19755 4283 1 9 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.791 0.170 19755 4284 1 9 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.894 -0.761 19755 4285 1 9 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.068 -2.202 19755 4286 1 9 . 1 1 61 61 TRP H H 61 9.101 9.101 8.136 0.965 19755 4287 1 9 . 1 1 62 62 ILE N N 62 121.315 121.315 119.807 1.508 19755 4288 1 9 . 1 1 62 62 ILE C C 62 174.576 174.576 173.504 1.072 19755 4289 1 9 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.063 1.493 19755 4290 1 9 . 1 1 62 62 ILE CB C 62 40.639 40.639 42.360 -1.721 19755 4291 1 9 . 1 1 62 62 ILE H H 62 7.863 7.863 8.338 -0.475 19755 4292 1 9 . 1 1 63 63 GLN N N 63 127.300 127.300 125.003 2.297 19755 4293 1 9 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.823 -0.289 19755 4294 1 9 . 1 1 63 63 GLN C C 63 173.768 173.768 173.183 0.585 19755 4295 1 9 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.675 -0.266 19755 4296 1 9 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.419 -3.111 19755 4297 1 9 . 1 1 63 63 GLN H H 63 8.881 8.881 8.983 -0.102 19755 4298 1 9 . 1 1 64 64 VAL N N 64 123.414 123.414 121.542 1.872 19755 4299 1 9 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.996 -0.319 19755 4300 1 9 . 1 1 64 64 VAL C C 64 174.737 174.737 173.610 1.127 19755 4301 1 9 . 1 1 64 64 VAL CA C 64 60.965 60.965 59.843 1.122 19755 4302 1 9 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.071 -0.651 19755 4303 1 9 . 1 1 64 64 VAL H H 64 8.330 8.330 8.372 -0.042 19755 4304 1 9 . 1 1 65 65 GLN N N 65 125.152 125.152 123.098 2.054 19755 4305 1 9 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.637 0.114 19755 4306 1 9 . 1 1 65 65 GLN C C 65 174.043 174.043 173.535 0.508 19755 4307 1 9 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.485 0.936 19755 4308 1 9 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.709 -0.753 19755 4309 1 9 . 1 1 65 65 GLN H H 65 8.938 8.938 8.829 0.109 19755 4310 1 9 . 1 1 66 66 ALA N N 66 127.534 127.534 123.939 3.595 19755 4311 1 9 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.852 -0.216 19755 4312 1 9 . 1 1 66 66 ALA C C 66 176.740 176.740 176.201 0.539 19755 4313 1 9 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.153 1.649 19755 4314 1 9 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.304 -0.958 19755 4315 1 9 . 1 1 66 66 ALA H H 66 8.808 8.808 8.612 0.196 19755 4316 1 9 . 1 1 67 67 LEU N N 67 124.609 124.609 122.343 2.266 19755 4317 1 9 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.753 0.032 19755 4318 1 9 . 1 1 67 67 LEU C C 67 177.190 177.190 178.358 -1.168 19755 4319 1 9 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.822 -0.237 19755 4320 1 9 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.320 -0.474 19755 4321 1 9 . 1 1 67 67 LEU H H 67 8.541 8.541 8.809 -0.268 19755 4322 1 9 . 1 1 68 68 ASP N N 68 120.713 120.713 120.771 -0.058 19755 4323 1 9 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.472 -0.042 19755 4324 1 9 . 1 1 68 68 ASP C C 68 177.319 177.319 176.437 0.882 19755 4325 1 9 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.651 1.439 19755 4326 1 9 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.149 -0.234 19755 4327 1 9 . 1 1 68 68 ASP H H 68 8.539 8.539 8.729 -0.190 19755 4328 1 9 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.434 0.168 19755 4329 1 9 . 1 1 69 69 LYS C C 69 176.282 176.282 174.281 2.001 19755 4330 1 9 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.834 0.983 19755 4331 1 9 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.931 0.631 19755 4332 1 9 . 1 1 70 70 GLY N N 70 110.325 110.325 105.883 4.442 19755 4333 1 9 . 1 1 70 70 GLY C C 70 169.572 169.572 171.403 -1.831 19755 4334 1 9 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.431 -0.066 19755 4335 1 9 . 1 1 70 70 GLY H H 70 6.977 6.977 7.103 -0.126 19755 4336 1 9 . 1 1 71 71 LEU N N 71 116.716 116.716 118.733 -2.017 19755 4337 1 9 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.104 -0.088 19755 4338 1 9 . 1 1 71 71 LEU C C 71 174.299 174.299 175.085 -0.786 19755 4339 1 9 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.450 -1.393 19755 4340 1 9 . 1 1 71 71 LEU CB C 71 45.892 45.892 47.029 -1.137 19755 4341 1 9 . 1 1 71 71 LEU H H 71 8.032 8.032 8.548 -0.516 19755 4342 1 9 . 1 1 72 72 GLU N N 72 120.507 120.507 121.624 -1.117 19755 4343 1 9 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.041 -0.075 19755 4344 1 9 . 1 1 72 72 GLU C C 72 174.588 174.588 175.463 -0.875 19755 4345 1 9 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.782 -0.748 19755 4346 1 9 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.668 1.724 19755 4347 1 9 . 1 1 72 72 GLU H H 72 8.739 8.739 8.650 0.089 19755 4348 1 9 . 1 1 73 73 ILE N N 73 127.226 127.226 124.792 2.434 19755 4349 1 9 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.496 0.030 19755 4350 1 9 . 1 1 73 73 ILE C C 73 173.786 173.786 174.543 -0.757 19755 4351 1 9 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.545 0.883 19755 4352 1 9 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.120 -0.015 19755 4353 1 9 . 1 1 73 73 ILE H H 73 8.755 8.755 8.713 0.042 19755 4354 1 9 . 1 1 74 74 ILE N N 74 126.107 126.107 127.543 -1.436 19755 4355 1 9 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.663 0.003 19755 4356 1 9 . 1 1 74 74 ILE C C 74 175.304 175.304 175.149 0.155 19755 4357 1 9 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.513 1.295 19755 4358 1 9 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.146 0.286 19755 4359 1 9 . 1 1 74 74 ILE H H 74 8.691 8.691 9.116 -0.425 19755 4360 1 9 . 1 1 75 75 VAL N N 75 128.967 128.967 123.800 5.167 19755 4361 1 9 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.191 -0.586 19755 4362 1 9 . 1 1 75 75 VAL C C 75 174.187 174.187 174.950 -0.763 19755 4363 1 9 . 1 1 75 75 VAL CA C 75 61.420 61.420 60.598 0.822 19755 4364 1 9 . 1 1 75 75 VAL CB C 75 33.645 33.645 34.895 -1.250 19755 4365 1 9 . 1 1 75 75 VAL H H 75 9.178 9.178 9.237 -0.059 19755 4366 1 9 . 1 1 76 76 THR HA H 76 5.743 5.743 5.195 0.548 19755 4367 1 9 . 1 1 76 76 THR CA C 76 59.957 59.957 58.995 0.962 19755 4368 1 9 . 1 1 76 76 THR CB C 76 71.833 71.833 71.913 -0.080 19755 4369 1 9 . 1 1 77 77 LYS N N 77 124.204 124.204 119.417 4.787 19755 4370 1 9 . 1 1 77 77 LYS HA H 77 4.588 4.588 5.225 -0.637 19755 4371 1 9 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.561 1.190 19755 4372 1 9 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.828 -1.881 19755 4373 1 9 . 1 1 77 77 LYS H H 77 8.688 8.688 8.321 0.367 19755 4374 1 9 . 1 1 78 78 ALA N N 78 125.102 125.102 122.408 2.694 19755 4375 1 9 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.190 -0.214 19755 4376 1 9 . 1 1 78 78 ALA C C 78 176.776 176.776 177.518 -0.742 19755 4377 1 9 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.770 -0.339 19755 4378 1 9 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.850 -0.308 19755 4379 1 9 . 1 1 78 78 ALA H H 78 8.137 8.137 8.647 -0.510 19755 4380 1 9 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.031 0.054 19755 4381 1 9 . 1 1 79 79 GLN CA C 79 55.540 55.540 56.687 -1.147 19755 4382 1 9 . 1 1 79 79 GLN CB C 79 29.617 29.617 28.261 1.356 19755 4383 1 9 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.560 -0.265 19755 4384 1 9 . 1 1 80 80 LEU CA C 80 55.034 55.034 55.245 -0.211 19755 4385 1 9 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.574 -0.254 19755 4386 1 9 . 1 1 81 81 SER N N 81 116.580 116.580 113.441 3.139 19755 4387 1 9 . 1 1 81 81 SER HA H 81 4.291 4.291 4.667 -0.376 19755 4388 1 9 . 1 1 81 81 SER C C 81 174.770 174.770 175.059 -0.289 19755 4389 1 9 . 1 1 81 81 SER CA C 81 58.674 58.674 57.719 0.955 19755 4390 1 9 . 1 1 81 81 SER CB C 81 63.931 63.931 63.530 0.401 19755 4391 1 9 . 1 1 81 81 SER H H 81 8.214 8.214 7.853 0.361 19755 4392 1 9 . 1 1 82 82 LYS N N 82 122.968 122.968 122.856 0.112 19755 4393 1 9 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.105 0.178 19755 4394 1 9 . 1 1 82 82 LYS C C 82 176.222 176.222 175.747 0.475 19755 4395 1 9 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.079 -1.537 19755 4396 1 9 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.804 0.137 19755 4397 1 9 . 1 1 82 82 LYS H H 82 8.255 8.255 7.707 0.548 19755 4398 1 9 . 1 1 83 83 ASP N N 83 120.305 120.305 116.132 4.173 19755 4399 1 9 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.651 -0.105 19755 4400 1 9 . 1 1 83 83 ASP C C 83 176.527 176.527 174.260 2.267 19755 4401 1 9 . 1 1 83 83 ASP CA C 83 54.864 54.864 53.822 1.042 19755 4402 1 9 . 1 1 83 83 ASP CB C 83 41.156 41.156 42.443 -1.287 19755 4403 1 9 . 1 1 83 83 ASP H H 83 8.158 8.158 7.717 0.441 19755 4404 1 9 . 1 1 84 84 LEU N N 84 121.499 121.499 126.971 -5.472 19755 4405 1 9 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.557 -0.374 19755 4406 1 9 . 1 1 84 84 LEU C C 84 177.585 177.585 177.253 0.332 19755 4407 1 9 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.432 -0.390 19755 4408 1 9 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.675 -1.296 19755 4409 1 9 . 1 1 84 84 LEU H H 84 7.955 7.955 8.518 -0.563 19755 4410 1 9 . 1 1 85 85 ASP N N 85 119.668 119.668 120.351 -0.683 19755 4411 1 9 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.471 0.029 19755 4412 1 9 . 1 1 85 85 ASP C C 85 176.445 176.445 176.247 0.198 19755 4413 1 9 . 1 1 85 85 ASP CA C 85 55.143 55.143 54.871 0.272 19755 4414 1 9 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.246 -0.130 19755 4415 1 9 . 1 1 85 85 ASP H H 85 8.207 8.207 8.531 -0.324 19755 4416 1 9 . 1 1 86 86 LYS N N 86 119.760 119.760 116.921 2.839 19755 4417 1 9 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.196 0.057 19755 4418 1 9 . 1 1 86 86 LYS C C 86 176.336 176.336 176.255 0.081 19755 4419 1 9 . 1 1 86 86 LYS CA C 86 56.519 56.519 56.648 -0.129 19755 4420 1 9 . 1 1 86 86 LYS CB C 86 33.072 33.072 29.213 3.859 19755 4421 1 9 . 1 1 86 86 LYS H H 86 7.843 7.843 8.221 -0.378 19755 4422 1 9 . 1 1 87 87 LEU N N 87 122.086 122.086 117.313 4.773 19755 4423 1 9 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.261 0.048 19755 4424 1 9 . 1 1 87 87 LEU C C 87 176.952 176.952 177.085 -0.133 19755 4425 1 9 . 1 1 87 87 LEU CA C 87 55.369 55.369 55.880 -0.511 19755 4426 1 9 . 1 1 87 87 LEU CB C 87 42.407 42.407 42.826 -0.419 19755 4427 1 9 . 1 1 87 87 LEU H H 87 8.008 8.008 7.993 0.015 19755 4428 1 9 . 1 1 88 88 VAL N N 88 122.409 122.409 115.937 6.472 19755 4429 1 9 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.514 -0.140 19755 4430 1 9 . 1 1 88 88 VAL C C 88 174.225 174.225 174.613 -0.388 19755 4431 1 9 . 1 1 88 88 VAL CA C 88 59.992 59.992 58.842 1.150 19755 4432 1 9 . 1 1 88 88 VAL CB C 88 32.946 32.946 32.808 0.138 19755 4433 1 9 . 1 1 88 88 VAL H H 88 7.919 7.919 7.952 -0.033 19755 4434 1 9 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.496 -0.126 19755 4435 1 9 . 1 1 89 89 PRO C C 89 176.035 176.035 176.058 -0.023 19755 4436 1 9 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.117 0.475 19755 4437 1 9 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.145 0.073 19755 4438 1 10 . 1 1 2 2 GLU N N 2 123.952 123.952 126.004 -2.052 19755 4439 1 10 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.803 -0.122 19755 4440 1 10 . 1 1 2 2 GLU C C 2 174.704 174.704 175.424 -0.720 19755 4441 1 10 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.388 0.478 19755 4442 1 10 . 1 1 2 2 GLU CB C 2 32.406 32.406 30.801 1.605 19755 4443 1 10 . 1 1 2 2 GLU H H 2 8.571 8.571 9.153 -0.582 19755 4444 1 10 . 1 1 3 3 ILE N N 3 121.558 121.558 122.917 -1.359 19755 4445 1 10 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.439 0.273 19755 4446 1 10 . 1 1 3 3 ILE C C 3 174.736 174.736 176.684 -1.948 19755 4447 1 10 . 1 1 3 3 ILE CA C 3 60.277 60.277 60.669 -0.392 19755 4448 1 10 . 1 1 3 3 ILE CB C 3 40.861 40.861 38.103 2.758 19755 4449 1 10 . 1 1 3 3 ILE H H 3 8.565 8.565 8.571 -0.006 19755 4450 1 10 . 1 1 4 4 GLU N N 4 126.319 126.319 125.860 0.459 19755 4451 1 10 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.630 -0.069 19755 4452 1 10 . 1 1 4 4 GLU C C 4 174.708 174.708 174.524 0.184 19755 4453 1 10 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.843 0.385 19755 4454 1 10 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.676 -0.667 19755 4455 1 10 . 1 1 4 4 GLU H H 4 9.153 9.153 8.958 0.195 19755 4456 1 10 . 1 1 5 5 ARG N N 5 127.727 127.727 125.695 2.032 19755 4457 1 10 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.637 -0.077 19755 4458 1 10 . 1 1 5 5 ARG C C 5 175.807 175.807 176.350 -0.543 19755 4459 1 10 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.548 0.575 19755 4460 1 10 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.675 -0.022 19755 4461 1 10 . 1 1 5 5 ARG H H 5 9.002 9.002 8.801 0.201 19755 4462 1 10 . 1 1 6 6 ILE N N 6 129.149 129.149 126.694 2.455 19755 4463 1 10 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.805 0.099 19755 4464 1 10 . 1 1 6 6 ILE C C 6 176.468 176.468 176.517 -0.049 19755 4465 1 10 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.974 -0.003 19755 4466 1 10 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.692 0.470 19755 4467 1 10 . 1 1 6 6 ILE H H 6 8.030 8.030 8.361 -0.331 19755 4468 1 10 . 1 1 7 7 ASN N N 7 112.808 112.808 115.849 -3.041 19755 4469 1 10 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.780 -0.221 19755 4470 1 10 . 1 1 7 7 ASN C C 7 175.254 175.254 173.585 1.669 19755 4471 1 10 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.693 1.160 19755 4472 1 10 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.358 -1.083 19755 4473 1 10 . 1 1 7 7 ASN H H 7 8.147 8.147 7.663 0.484 19755 4474 1 10 . 1 1 8 8 GLU N N 8 121.087 121.087 116.501 4.586 19755 4475 1 10 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.106 -0.056 19755 4476 1 10 . 1 1 8 8 GLU C C 8 176.486 176.486 175.865 0.621 19755 4477 1 10 . 1 1 8 8 GLU CA C 8 59.802 59.802 56.854 2.948 19755 4478 1 10 . 1 1 8 8 GLU CB C 8 29.451 29.451 28.940 0.511 19755 4479 1 10 . 1 1 8 8 GLU H H 8 8.770 8.770 8.555 0.215 19755 4480 1 10 . 1 1 9 9 HIS N N 9 113.719 113.719 115.781 -2.062 19755 4481 1 10 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.798 0.167 19755 4482 1 10 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.460 -0.655 19755 4483 1 10 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.329 0.655 19755 4484 1 10 . 1 1 9 9 HIS H H 9 7.921 7.921 8.090 -0.169 19755 4485 1 10 . 1 1 10 10 THR N N 10 116.218 116.218 119.230 -3.012 19755 4486 1 10 . 1 1 10 10 THR HA H 10 5.736 5.736 4.701 1.035 19755 4487 1 10 . 1 1 10 10 THR C C 10 173.396 173.396 173.959 -0.563 19755 4488 1 10 . 1 1 10 10 THR CA C 10 62.820 62.820 64.322 -1.502 19755 4489 1 10 . 1 1 10 10 THR CB C 10 71.465 71.465 69.721 1.744 19755 4490 1 10 . 1 1 10 10 THR H H 10 7.349 7.349 8.890 -1.541 19755 4491 1 10 . 1 1 11 11 VAL N N 11 124.880 124.880 120.333 4.547 19755 4492 1 10 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.062 -0.205 19755 4493 1 10 . 1 1 11 11 VAL C C 11 172.156 172.156 173.841 -1.685 19755 4494 1 10 . 1 1 11 11 VAL CA C 11 59.876 59.876 58.765 1.111 19755 4495 1 10 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.008 0.978 19755 4496 1 10 . 1 1 11 11 VAL H H 11 9.043 9.043 9.017 0.026 19755 4497 1 10 . 1 1 12 12 LYS N N 12 124.164 124.164 118.946 5.218 19755 4498 1 10 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.333 0.251 19755 4499 1 10 . 1 1 12 12 LYS C C 12 173.380 173.380 174.918 -1.538 19755 4500 1 10 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.532 -0.327 19755 4501 1 10 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.835 0.622 19755 4502 1 10 . 1 1 12 12 LYS H H 12 8.884 8.884 8.338 0.546 19755 4503 1 10 . 1 1 13 13 PHE N N 13 124.228 124.228 114.492 9.736 19755 4504 1 10 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.486 -0.158 19755 4505 1 10 . 1 1 13 13 PHE C C 13 172.237 172.237 173.119 -0.882 19755 4506 1 10 . 1 1 13 13 PHE CA C 13 55.986 55.986 55.910 0.076 19755 4507 1 10 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.082 -0.166 19755 4508 1 10 . 1 1 13 13 PHE H H 13 8.989 8.989 8.839 0.150 19755 4509 1 10 . 1 1 14 14 TYR N N 14 121.263 121.263 124.286 -3.023 19755 4510 1 10 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.314 0.073 19755 4511 1 10 . 1 1 14 14 TYR C C 14 174.713 174.713 173.883 0.830 19755 4512 1 10 . 1 1 14 14 TYR CA C 14 55.953 55.953 56.292 -0.339 19755 4513 1 10 . 1 1 14 14 TYR CB C 14 41.508 41.508 41.277 0.231 19755 4514 1 10 . 1 1 14 14 TYR H H 14 8.670 8.670 8.940 -0.270 19755 4515 1 10 . 1 1 15 15 MET N N 15 124.869 124.869 126.915 -2.046 19755 4516 1 10 . 1 1 15 15 MET HA H 15 4.417 4.417 4.718 -0.301 19755 4517 1 10 . 1 1 15 15 MET C C 15 173.614 173.614 173.561 0.053 19755 4518 1 10 . 1 1 15 15 MET CA C 15 54.305 54.305 54.019 0.286 19755 4519 1 10 . 1 1 15 15 MET CB C 15 37.439 37.439 36.015 1.424 19755 4520 1 10 . 1 1 15 15 MET H H 15 7.927 7.927 8.694 -0.767 19755 4521 1 10 . 1 1 16 16 SER N N 16 120.626 120.626 123.204 -2.578 19755 4522 1 10 . 1 1 16 16 SER HA H 16 4.396 4.396 4.305 0.091 19755 4523 1 10 . 1 1 16 16 SER C C 16 175.508 175.508 175.378 0.130 19755 4524 1 10 . 1 1 16 16 SER CA C 16 57.637 57.637 58.196 -0.559 19755 4525 1 10 . 1 1 16 16 SER CB C 16 65.033 65.033 64.109 0.924 19755 4526 1 10 . 1 1 16 16 SER H H 16 9.061 9.061 8.772 0.289 19755 4527 1 10 . 1 1 17 17 TYR N N 17 119.917 119.917 123.046 -3.129 19755 4528 1 10 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.275 0.085 19755 4529 1 10 . 1 1 17 17 TYR C C 17 178.684 178.684 178.157 0.527 19755 4530 1 10 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.562 1.394 19755 4531 1 10 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.739 -0.750 19755 4532 1 10 . 1 1 17 17 TYR H H 17 8.411 8.411 8.414 -0.003 19755 4533 1 10 . 1 1 18 18 GLY N N 18 107.011 107.011 105.649 1.362 19755 4534 1 10 . 1 1 18 18 GLY C C 18 175.454 175.454 175.909 -0.455 19755 4535 1 10 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.535 0.911 19755 4536 1 10 . 1 1 18 18 GLY H H 18 8.534 8.534 8.903 -0.369 19755 4537 1 10 . 1 1 19 19 ASP N N 19 122.947 122.947 122.121 0.826 19755 4538 1 10 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.578 -0.186 19755 4539 1 10 . 1 1 19 19 ASP C C 19 179.020 179.020 178.453 0.567 19755 4540 1 10 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.236 0.207 19755 4541 1 10 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.063 -0.149 19755 4542 1 10 . 1 1 19 19 ASP H H 19 7.788 7.788 7.851 -0.063 19755 4543 1 10 . 1 1 20 20 ILE N N 20 119.114 119.114 121.005 -1.891 19755 4544 1 10 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.813 -0.285 19755 4545 1 10 . 1 1 20 20 ILE C C 20 177.939 177.939 177.672 0.267 19755 4546 1 10 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.888 1.422 19755 4547 1 10 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.321 0.565 19755 4548 1 10 . 1 1 20 20 ILE H H 20 7.762 7.762 7.560 0.202 19755 4549 1 10 . 1 1 21 21 GLU N N 21 119.999 119.999 120.404 -0.405 19755 4550 1 10 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.211 0.371 19755 4551 1 10 . 1 1 21 21 GLU C C 21 181.888 181.888 179.137 2.751 19755 4552 1 10 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.548 -0.341 19755 4553 1 10 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.282 0.132 19755 4554 1 10 . 1 1 21 21 GLU H H 21 8.113 8.113 8.321 -0.208 19755 4555 1 10 . 1 1 22 22 ASP N N 22 122.667 122.667 119.621 3.046 19755 4556 1 10 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.470 0.004 19755 4557 1 10 . 1 1 22 22 ASP C C 22 178.184 178.184 178.303 -0.119 19755 4558 1 10 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.457 0.878 19755 4559 1 10 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.044 -0.177 19755 4560 1 10 . 1 1 22 22 ASP H H 22 8.699 8.699 8.039 0.660 19755 4561 1 10 . 1 1 23 23 ARG N N 23 116.862 116.862 117.577 -0.715 19755 4562 1 10 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.366 -0.022 19755 4563 1 10 . 1 1 23 23 ARG C C 23 176.101 176.101 176.979 -0.878 19755 4564 1 10 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.515 0.137 19755 4565 1 10 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.707 0.090 19755 4566 1 10 . 1 1 23 23 ARG H H 23 7.380 7.380 7.736 -0.356 19755 4567 1 10 . 1 1 24 24 GLY N N 24 106.318 106.318 105.939 0.379 19755 4568 1 10 . 1 1 24 24 GLY C C 24 174.117 174.117 174.578 -0.461 19755 4569 1 10 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.380 0.113 19755 4570 1 10 . 1 1 24 24 GLY H H 24 8.004 8.004 7.831 0.173 19755 4571 1 10 . 1 1 25 25 PHE N N 25 118.274 118.274 120.064 -1.790 19755 4572 1 10 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.669 -0.047 19755 4573 1 10 . 1 1 25 25 PHE C C 25 174.127 174.127 174.802 -0.675 19755 4574 1 10 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.273 -0.343 19755 4575 1 10 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.103 1.768 19755 4576 1 10 . 1 1 25 25 PHE H H 25 7.550 7.550 8.270 -0.720 19755 4577 1 10 . 1 1 26 26 ASP N N 26 121.320 121.320 117.778 3.542 19755 4578 1 10 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.987 -0.093 19755 4579 1 10 . 1 1 26 26 ASP C C 26 177.370 177.370 177.175 0.195 19755 4580 1 10 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.462 0.645 19755 4581 1 10 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.887 0.179 19755 4582 1 10 . 1 1 26 26 ASP H H 26 8.891 8.891 8.410 0.481 19755 4583 1 10 . 1 1 27 27 ARG N N 27 124.100 124.100 123.479 0.621 19755 4584 1 10 . 1 1 27 27 ARG HA H 27 3.842 3.842 4.035 -0.193 19755 4585 1 10 . 1 1 27 27 ARG C C 27 176.201 176.201 177.495 -1.294 19755 4586 1 10 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.195 0.662 19755 4587 1 10 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.270 -0.596 19755 4588 1 10 . 1 1 27 27 ARG H H 27 9.033 9.033 8.730 0.303 19755 4589 1 10 . 1 1 28 28 GLU N N 28 118.451 118.451 118.998 -0.547 19755 4590 1 10 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.469 -0.432 19755 4591 1 10 . 1 1 28 28 GLU C C 28 178.889 178.889 179.231 -0.342 19755 4592 1 10 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.114 0.141 19755 4593 1 10 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.280 0.170 19755 4594 1 10 . 1 1 28 28 GLU H H 28 8.362 8.362 8.446 -0.084 19755 4595 1 10 . 1 1 29 29 GLU N N 29 118.302 118.302 120.704 -2.402 19755 4596 1 10 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.209 -0.124 19755 4597 1 10 . 1 1 29 29 GLU C C 29 178.137 178.137 178.810 -0.673 19755 4598 1 10 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.106 -0.146 19755 4599 1 10 . 1 1 29 29 GLU CB C 29 30.452 30.452 28.970 1.482 19755 4600 1 10 . 1 1 29 29 GLU H H 29 7.821 7.821 8.476 -0.655 19755 4601 1 10 . 1 1 30 30 ILE N N 30 115.456 115.456 118.622 -3.166 19755 4602 1 10 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.606 0.021 19755 4603 1 10 . 1 1 30 30 ILE C C 30 176.229 176.229 177.903 -1.674 19755 4604 1 10 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.077 -3.014 19755 4605 1 10 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.809 -0.869 19755 4606 1 10 . 1 1 30 30 ILE H H 30 7.363 7.363 8.109 -0.746 19755 4607 1 10 . 1 1 31 31 TRP N N 31 116.714 116.714 115.437 1.277 19755 4608 1 10 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.288 -0.138 19755 4609 1 10 . 1 1 31 31 TRP C C 31 178.092 178.092 176.503 1.589 19755 4610 1 10 . 1 1 31 31 TRP CA C 31 59.618 59.618 57.656 1.962 19755 4611 1 10 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.144 0.484 19755 4612 1 10 . 1 1 31 31 TRP H H 31 7.410 7.410 7.229 0.181 19755 4613 1 10 . 1 1 32 32 TYR N N 32 112.769 112.769 114.454 -1.685 19755 4614 1 10 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.729 0.037 19755 4615 1 10 . 1 1 32 32 TYR C C 32 175.767 175.767 175.187 0.580 19755 4616 1 10 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.485 1.147 19755 4617 1 10 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.209 1.013 19755 4618 1 10 . 1 1 32 32 TYR H H 32 7.577 7.577 7.302 0.275 19755 4619 1 10 . 1 1 33 33 ASN N N 33 120.521 120.521 120.136 0.385 19755 4620 1 10 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.161 -0.113 19755 4621 1 10 . 1 1 33 33 ASN C C 33 174.851 174.851 174.873 -0.022 19755 4622 1 10 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.781 -0.461 19755 4623 1 10 . 1 1 33 33 ASN CB C 33 39.213 39.213 40.010 -0.796 19755 4624 1 10 . 1 1 33 33 ASN H H 33 8.364 8.364 7.964 0.400 19755 4625 1 10 . 1 1 34 34 ARG N N 34 126.163 126.163 124.874 1.289 19755 4626 1 10 . 1 1 34 34 ARG HA H 34 4.185 4.185 4.042 0.143 19755 4627 1 10 . 1 1 34 34 ARG C C 34 178.509 178.509 176.867 1.642 19755 4628 1 10 . 1 1 34 34 ARG CA C 34 58.504 58.504 59.034 -0.530 19755 4629 1 10 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.288 -0.795 19755 4630 1 10 . 1 1 34 34 ARG H H 34 8.830 8.830 8.948 -0.118 19755 4631 1 10 . 1 1 35 35 GLU N N 35 118.994 118.994 116.752 2.242 19755 4632 1 10 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.428 -0.268 19755 4633 1 10 . 1 1 35 35 GLU C C 35 179.839 179.839 177.628 2.211 19755 4634 1 10 . 1 1 35 35 GLU CA C 35 60.191 60.191 57.579 2.612 19755 4635 1 10 . 1 1 35 35 GLU CB C 35 29.433 29.433 29.352 0.081 19755 4636 1 10 . 1 1 35 35 GLU H H 35 8.380 8.380 8.597 -0.217 19755 4637 1 10 . 1 1 36 36 ARG N N 36 119.197 119.197 120.849 -1.652 19755 4638 1 10 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.536 -0.136 19755 4639 1 10 . 1 1 36 36 ARG C C 36 178.217 178.217 178.546 -0.329 19755 4640 1 10 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.311 1.083 19755 4641 1 10 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.923 -0.388 19755 4642 1 10 . 1 1 36 36 ARG H H 36 7.686 7.686 7.696 -0.010 19755 4643 1 10 . 1 1 37 37 SER N N 37 114.607 114.607 115.239 -0.632 19755 4644 1 10 . 1 1 37 37 SER HA H 37 3.899 3.899 4.151 -0.252 19755 4645 1 10 . 1 1 37 37 SER C C 37 178.298 178.298 176.354 1.944 19755 4646 1 10 . 1 1 37 37 SER CA C 37 62.455 62.455 61.209 1.246 19755 4647 1 10 . 1 1 37 37 SER CB C 37 62.542 62.542 62.976 -0.434 19755 4648 1 10 . 1 1 37 37 SER H H 37 8.282 8.282 8.343 -0.061 19755 4649 1 10 . 1 1 38 38 GLU N N 38 121.063 121.063 122.685 -1.622 19755 4650 1 10 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.280 -0.524 19755 4651 1 10 . 1 1 38 38 GLU C C 38 177.182 177.182 178.688 -1.506 19755 4652 1 10 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.464 0.834 19755 4653 1 10 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.435 -0.161 19755 4654 1 10 . 1 1 38 38 GLU H H 38 7.849 7.849 8.673 -0.824 19755 4655 1 10 . 1 1 39 39 GLU N N 39 119.119 119.119 119.054 0.065 19755 4656 1 10 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.207 0.022 19755 4657 1 10 . 1 1 39 39 GLU C C 39 179.781 179.781 178.950 0.831 19755 4658 1 10 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.804 1.368 19755 4659 1 10 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.914 1.145 19755 4660 1 10 . 1 1 39 39 GLU H H 39 7.686 7.686 8.015 -0.329 19755 4661 1 10 . 1 1 40 40 LEU N N 40 120.164 120.164 120.420 -0.256 19755 4662 1 10 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.613 0.079 19755 4663 1 10 . 1 1 40 40 LEU C C 40 177.155 177.155 177.937 -0.782 19755 4664 1 10 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.333 -0.069 19755 4665 1 10 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.211 -0.762 19755 4666 1 10 . 1 1 40 40 LEU H H 40 7.739 7.739 7.621 0.118 19755 4667 1 10 . 1 1 41 41 PHE N N 41 118.207 118.207 116.910 1.297 19755 4668 1 10 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.094 -0.289 19755 4669 1 10 . 1 1 41 41 PHE C C 41 176.387 176.387 177.661 -1.274 19755 4670 1 10 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.813 -0.449 19755 4671 1 10 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.118 -0.049 19755 4672 1 10 . 1 1 41 41 PHE H H 41 7.825 7.825 7.151 0.674 19755 4673 1 10 . 1 1 42 42 TRP N N 42 117.448 117.448 119.151 -1.703 19755 4674 1 10 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.128 -0.004 19755 4675 1 10 . 1 1 42 42 TRP C C 42 179.071 179.071 178.537 0.534 19755 4676 1 10 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.256 -1.177 19755 4677 1 10 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.074 0.380 19755 4678 1 10 . 1 1 42 42 TRP H H 42 8.266 8.266 8.841 -0.575 19755 4679 1 10 . 1 1 43 43 GLU N N 43 120.573 120.573 119.311 1.262 19755 4680 1 10 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.005 0.154 19755 4681 1 10 . 1 1 43 43 GLU C C 43 179.556 179.556 179.123 0.433 19755 4682 1 10 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.580 0.601 19755 4683 1 10 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.374 0.128 19755 4684 1 10 . 1 1 43 43 GLU H H 43 7.918 7.918 7.777 0.141 19755 4685 1 10 . 1 1 44 44 VAL N N 44 119.502 119.502 115.285 4.217 19755 4686 1 10 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.570 -0.125 19755 4687 1 10 . 1 1 44 44 VAL C C 44 178.356 178.356 177.977 0.379 19755 4688 1 10 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.204 1.186 19755 4689 1 10 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.253 -0.033 19755 4690 1 10 . 1 1 44 44 VAL H H 44 7.947 7.947 7.389 0.558 19755 4691 1 10 . 1 1 45 45 MET N N 45 117.691 117.691 119.169 -1.478 19755 4692 1 10 . 1 1 45 45 MET HA H 45 4.118 4.118 4.120 -0.002 19755 4693 1 10 . 1 1 45 45 MET C C 45 179.207 179.207 179.077 0.130 19755 4694 1 10 . 1 1 45 45 MET CA C 45 56.677 56.677 57.608 -0.931 19755 4695 1 10 . 1 1 45 45 MET CB C 45 31.094 31.094 31.013 0.081 19755 4696 1 10 . 1 1 45 45 MET H H 45 7.998 7.998 8.425 -0.427 19755 4697 1 10 . 1 1 46 46 ASP N N 46 119.109 119.109 120.708 -1.599 19755 4698 1 10 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.365 0.176 19755 4699 1 10 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.425 -0.483 19755 4700 1 10 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.758 0.670 19755 4701 1 10 . 1 1 46 46 ASP H H 46 7.773 7.773 8.377 -0.604 19755 4702 1 10 . 1 1 47 47 GLU N N 47 118.018 118.018 117.378 0.640 19755 4703 1 10 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.197 -0.029 19755 4704 1 10 . 1 1 47 47 GLU C C 47 177.957 177.957 177.530 0.427 19755 4705 1 10 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.222 -0.245 19755 4706 1 10 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.783 0.620 19755 4707 1 10 . 1 1 47 47 GLU H H 47 7.608 7.608 7.864 -0.256 19755 4708 1 10 . 1 1 48 48 VAL N N 48 115.277 115.277 108.577 6.700 19755 4709 1 10 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.516 -0.411 19755 4710 1 10 . 1 1 48 48 VAL CA C 48 62.377 62.377 61.755 0.622 19755 4711 1 10 . 1 1 48 48 VAL CB C 48 33.866 33.866 33.311 0.555 19755 4712 1 10 . 1 1 48 48 VAL H H 48 7.508 7.508 7.581 -0.073 19755 4713 1 10 . 1 1 49 49 HIS N N 49 121.222 121.222 122.192 -0.970 19755 4714 1 10 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.170 0.441 19755 4715 1 10 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.853 -2.853 19755 4716 1 10 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.109 -0.580 19755 4717 1 10 . 1 1 49 49 HIS H H 49 8.099 8.099 7.997 0.102 19755 4718 1 10 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.363 -0.141 19755 4719 1 10 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.483 -0.854 19755 4720 1 10 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.424 0.999 19755 4721 1 10 . 1 1 51 51 GLU N N 51 119.589 119.589 115.498 4.091 19755 4722 1 10 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.417 -0.183 19755 4723 1 10 . 1 1 51 51 GLU C C 51 176.279 176.279 175.810 0.469 19755 4724 1 10 . 1 1 51 51 GLU CA C 51 56.547 56.547 56.242 0.305 19755 4725 1 10 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.392 0.189 19755 4726 1 10 . 1 1 51 51 GLU H H 51 8.121 8.121 7.897 0.224 19755 4727 1 10 . 1 1 52 52 GLU N N 52 122.410 122.410 117.334 5.076 19755 4728 1 10 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.055 0.255 19755 4729 1 10 . 1 1 52 52 GLU C C 52 176.127 176.127 177.560 -1.433 19755 4730 1 10 . 1 1 52 52 GLU CA C 52 56.508 56.508 55.994 0.514 19755 4731 1 10 . 1 1 52 52 GLU CB C 52 30.565 30.565 30.731 -0.166 19755 4732 1 10 . 1 1 52 52 GLU H H 52 8.412 8.412 7.579 0.833 19755 4733 1 10 . 1 1 53 53 GLU N N 53 121.407 121.407 121.147 0.260 19755 4734 1 10 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.867 0.427 19755 4735 1 10 . 1 1 53 53 GLU C C 53 176.242 176.242 177.373 -1.131 19755 4736 1 10 . 1 1 53 53 GLU CA C 53 56.607 56.607 59.130 -2.523 19755 4737 1 10 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.898 1.540 19755 4738 1 10 . 1 1 53 53 GLU H H 53 8.361 8.361 8.109 0.252 19755 4739 1 10 . 1 1 54 54 PHE N N 54 121.128 121.128 111.104 10.024 19755 4740 1 10 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.782 -0.188 19755 4741 1 10 . 1 1 54 54 PHE C C 54 176.021 176.021 174.585 1.436 19755 4742 1 10 . 1 1 54 54 PHE CA C 54 57.554 57.554 55.307 2.247 19755 4743 1 10 . 1 1 54 54 PHE CB C 54 40.192 40.192 38.628 1.564 19755 4744 1 10 . 1 1 54 54 PHE H H 54 8.147 8.147 6.910 1.237 19755 4745 1 10 . 1 1 55 55 ALA N N 55 126.124 126.124 121.980 4.144 19755 4746 1 10 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.601 -0.180 19755 4747 1 10 . 1 1 55 55 ALA C C 55 177.391 177.391 177.023 0.368 19755 4748 1 10 . 1 1 55 55 ALA CA C 55 52.373 52.373 51.909 0.464 19755 4749 1 10 . 1 1 55 55 ALA CB C 55 19.512 19.512 21.055 -1.543 19755 4750 1 10 . 1 1 55 55 ALA H H 55 8.124 8.124 7.917 0.207 19755 4751 1 10 . 1 1 56 56 VAL N N 56 119.019 119.019 121.322 -2.303 19755 4752 1 10 . 1 1 56 56 VAL HA H 56 4.133 4.133 3.888 0.245 19755 4753 1 10 . 1 1 56 56 VAL C C 56 176.128 176.128 175.087 1.041 19755 4754 1 10 . 1 1 56 56 VAL CA C 56 62.306 62.306 63.287 -0.981 19755 4755 1 10 . 1 1 56 56 VAL CB C 56 33.274 33.274 30.353 2.921 19755 4756 1 10 . 1 1 56 56 VAL H H 56 7.958 7.958 7.660 0.298 19755 4757 1 10 . 1 1 57 57 GLU N N 57 124.588 124.588 124.827 -0.239 19755 4758 1 10 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.525 -0.030 19755 4759 1 10 . 1 1 57 57 GLU C C 57 176.082 176.082 175.830 0.252 19755 4760 1 10 . 1 1 57 57 GLU CA C 57 56.056 56.056 56.202 -0.146 19755 4761 1 10 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.949 1.354 19755 4762 1 10 . 1 1 57 57 GLU H H 57 8.413 8.413 8.132 0.281 19755 4763 1 10 . 1 1 58 58 GLY N N 58 110.794 110.794 109.507 1.287 19755 4764 1 10 . 1 1 58 58 GLY C C 58 170.660 170.660 172.137 -1.477 19755 4765 1 10 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.648 0.209 19755 4766 1 10 . 1 1 58 58 GLY H H 58 8.040 8.040 7.834 0.206 19755 4767 1 10 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.477 -0.046 19755 4768 1 10 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.483 0.605 19755 4769 1 10 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.662 -0.188 19755 4770 1 10 . 1 1 60 60 LEU N N 60 120.609 120.609 119.521 1.088 19755 4771 1 10 . 1 1 60 60 LEU C C 60 176.392 176.392 174.914 1.478 19755 4772 1 10 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.368 -0.444 19755 4773 1 10 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.255 -0.217 19755 4774 1 10 . 1 1 60 60 LEU H H 60 8.367 8.367 7.928 0.439 19755 4775 1 10 . 1 1 61 61 TRP N N 61 124.050 124.050 124.370 -0.320 19755 4776 1 10 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.862 0.099 19755 4777 1 10 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.819 -0.686 19755 4778 1 10 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.212 -2.346 19755 4779 1 10 . 1 1 61 61 TRP H H 61 9.101 9.101 8.256 0.845 19755 4780 1 10 . 1 1 62 62 ILE N N 62 121.315 121.315 121.477 -0.162 19755 4781 1 10 . 1 1 62 62 ILE C C 62 174.576 174.576 175.234 -0.658 19755 4782 1 10 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.506 1.050 19755 4783 1 10 . 1 1 62 62 ILE CB C 62 40.639 40.639 40.682 -0.043 19755 4784 1 10 . 1 1 62 62 ILE H H 62 7.863 7.863 8.388 -0.525 19755 4785 1 10 . 1 1 63 63 GLN N N 63 127.300 127.300 124.669 2.631 19755 4786 1 10 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.939 -0.405 19755 4787 1 10 . 1 1 63 63 GLN C C 63 173.768 173.768 173.302 0.466 19755 4788 1 10 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.638 -0.229 19755 4789 1 10 . 1 1 63 63 GLN CB C 63 30.309 30.309 32.649 -2.340 19755 4790 1 10 . 1 1 63 63 GLN H H 63 8.881 8.881 9.168 -0.287 19755 4791 1 10 . 1 1 64 64 VAL N N 64 123.414 123.414 118.887 4.527 19755 4792 1 10 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.920 -0.243 19755 4793 1 10 . 1 1 64 64 VAL C C 64 174.737 174.737 174.021 0.716 19755 4794 1 10 . 1 1 64 64 VAL CA C 64 60.965 60.965 59.478 1.487 19755 4795 1 10 . 1 1 64 64 VAL CB C 64 34.420 34.420 34.918 -0.498 19755 4796 1 10 . 1 1 64 64 VAL H H 64 8.330 8.330 8.239 0.091 19755 4797 1 10 . 1 1 65 65 GLN N N 65 125.152 125.152 123.377 1.775 19755 4798 1 10 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.637 0.114 19755 4799 1 10 . 1 1 65 65 GLN C C 65 174.043 174.043 174.125 -0.082 19755 4800 1 10 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.878 0.543 19755 4801 1 10 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.914 -0.959 19755 4802 1 10 . 1 1 65 65 GLN H H 65 8.938 8.938 8.575 0.363 19755 4803 1 10 . 1 1 66 66 ALA N N 66 127.534 127.534 125.742 1.792 19755 4804 1 10 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.730 -0.094 19755 4805 1 10 . 1 1 66 66 ALA C C 66 176.740 176.740 176.055 0.685 19755 4806 1 10 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.111 1.690 19755 4807 1 10 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.132 -0.786 19755 4808 1 10 . 1 1 66 66 ALA H H 66 8.808 8.808 8.600 0.208 19755 4809 1 10 . 1 1 67 67 LEU N N 67 124.609 124.609 123.794 0.815 19755 4810 1 10 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.817 -0.032 19755 4811 1 10 . 1 1 67 67 LEU C C 67 177.190 177.190 177.802 -0.612 19755 4812 1 10 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.827 -0.242 19755 4813 1 10 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.479 -0.633 19755 4814 1 10 . 1 1 67 67 LEU H H 67 8.541 8.541 8.750 -0.209 19755 4815 1 10 . 1 1 68 68 ASP N N 68 120.713 120.713 119.848 0.865 19755 4816 1 10 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.471 -0.041 19755 4817 1 10 . 1 1 68 68 ASP C C 68 177.319 177.319 177.027 0.292 19755 4818 1 10 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.663 1.427 19755 4819 1 10 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.079 -0.164 19755 4820 1 10 . 1 1 68 68 ASP H H 68 8.539 8.539 8.641 -0.102 19755 4821 1 10 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.591 0.011 19755 4822 1 10 . 1 1 69 69 LYS C C 69 176.282 176.282 174.417 1.865 19755 4823 1 10 . 1 1 69 69 LYS CA C 69 55.817 55.817 55.015 0.802 19755 4824 1 10 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.812 0.751 19755 4825 1 10 . 1 1 70 70 GLY N N 70 110.325 110.325 105.968 4.357 19755 4826 1 10 . 1 1 70 70 GLY C C 70 169.572 169.572 171.408 -1.836 19755 4827 1 10 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.190 0.175 19755 4828 1 10 . 1 1 70 70 GLY H H 70 6.977 6.977 6.842 0.135 19755 4829 1 10 . 1 1 71 71 LEU N N 71 116.716 116.716 118.657 -1.941 19755 4830 1 10 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.079 -0.063 19755 4831 1 10 . 1 1 71 71 LEU C C 71 174.299 174.299 175.029 -0.730 19755 4832 1 10 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.294 -1.237 19755 4833 1 10 . 1 1 71 71 LEU CB C 71 45.892 45.892 47.120 -1.228 19755 4834 1 10 . 1 1 71 71 LEU H H 71 8.032 8.032 8.552 -0.520 19755 4835 1 10 . 1 1 72 72 GLU N N 72 120.507 120.507 121.769 -1.262 19755 4836 1 10 . 1 1 72 72 GLU HA H 72 4.966 4.966 4.876 0.090 19755 4837 1 10 . 1 1 72 72 GLU C C 72 174.588 174.588 175.415 -0.827 19755 4838 1 10 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.773 -0.738 19755 4839 1 10 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.400 1.992 19755 4840 1 10 . 1 1 72 72 GLU H H 72 8.739 8.739 8.614 0.125 19755 4841 1 10 . 1 1 73 73 ILE N N 73 127.226 127.226 125.738 1.488 19755 4842 1 10 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.395 0.131 19755 4843 1 10 . 1 1 73 73 ILE C C 73 173.786 173.786 174.487 -0.701 19755 4844 1 10 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.638 0.790 19755 4845 1 10 . 1 1 73 73 ILE CB C 73 39.105 39.105 38.728 0.377 19755 4846 1 10 . 1 1 73 73 ILE H H 73 8.755 8.755 8.872 -0.117 19755 4847 1 10 . 1 1 74 74 ILE N N 74 126.107 126.107 128.170 -2.063 19755 4848 1 10 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.449 0.217 19755 4849 1 10 . 1 1 74 74 ILE C C 74 175.304 175.304 174.752 0.552 19755 4850 1 10 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.554 1.254 19755 4851 1 10 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.724 -0.292 19755 4852 1 10 . 1 1 74 74 ILE H H 74 8.691 8.691 8.852 -0.161 19755 4853 1 10 . 1 1 75 75 VAL N N 75 128.967 128.967 125.507 3.460 19755 4854 1 10 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.148 -0.543 19755 4855 1 10 . 1 1 75 75 VAL C C 75 174.187 174.187 175.149 -0.962 19755 4856 1 10 . 1 1 75 75 VAL CA C 75 61.420 61.420 60.494 0.926 19755 4857 1 10 . 1 1 75 75 VAL CB C 75 33.645 33.645 33.349 0.296 19755 4858 1 10 . 1 1 75 75 VAL H H 75 9.178 9.178 9.216 -0.038 19755 4859 1 10 . 1 1 76 76 THR HA H 76 5.743 5.743 4.915 0.828 19755 4860 1 10 . 1 1 76 76 THR CA C 76 59.957 59.957 59.242 0.715 19755 4861 1 10 . 1 1 76 76 THR CB C 76 71.833 71.833 71.307 0.526 19755 4862 1 10 . 1 1 77 77 LYS N N 77 124.204 124.204 120.076 4.128 19755 4863 1 10 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.924 -0.336 19755 4864 1 10 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.626 1.125 19755 4865 1 10 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.762 -1.815 19755 4866 1 10 . 1 1 77 77 LYS H H 77 8.688 8.688 8.213 0.475 19755 4867 1 10 . 1 1 78 78 ALA N N 78 125.102 125.102 122.531 2.571 19755 4868 1 10 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.148 -0.172 19755 4869 1 10 . 1 1 78 78 ALA C C 78 176.776 176.776 177.642 -0.866 19755 4870 1 10 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.243 0.188 19755 4871 1 10 . 1 1 78 78 ALA CB C 78 19.542 19.542 18.947 0.595 19755 4872 1 10 . 1 1 78 78 ALA H H 78 8.137 8.137 8.318 -0.181 19755 4873 1 10 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.091 -0.006 19755 4874 1 10 . 1 1 79 79 GLN CA C 79 55.540 55.540 56.160 -0.619 19755 4875 1 10 . 1 1 79 79 GLN CB C 79 29.617 29.617 28.922 0.695 19755 4876 1 10 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.590 -0.295 19755 4877 1 10 . 1 1 80 80 LEU CA C 80 55.034 55.034 53.499 1.535 19755 4878 1 10 . 1 1 80 80 LEU CB C 80 42.320 42.320 44.003 -1.683 19755 4879 1 10 . 1 1 81 81 SER N N 81 116.580 116.580 120.699 -4.119 19755 4880 1 10 . 1 1 81 81 SER HA H 81 4.291 4.291 4.280 0.011 19755 4881 1 10 . 1 1 81 81 SER C C 81 174.770 174.770 176.000 -1.230 19755 4882 1 10 . 1 1 81 81 SER CA C 81 58.674 58.674 59.798 -1.124 19755 4883 1 10 . 1 1 81 81 SER CB C 81 63.931 63.931 63.113 0.818 19755 4884 1 10 . 1 1 81 81 SER H H 81 8.214 8.214 8.787 -0.573 19755 4885 1 10 . 1 1 82 82 LYS N N 82 122.968 122.968 122.846 0.122 19755 4886 1 10 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.063 0.220 19755 4887 1 10 . 1 1 82 82 LYS C C 82 176.222 176.222 178.098 -1.876 19755 4888 1 10 . 1 1 82 82 LYS CA C 82 56.542 56.542 59.258 -2.716 19755 4889 1 10 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.401 0.540 19755 4890 1 10 . 1 1 82 82 LYS H H 82 8.255 8.255 8.174 0.081 19755 4891 1 10 . 1 1 83 83 ASP N N 83 120.305 120.305 117.633 2.672 19755 4892 1 10 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.680 -0.134 19755 4893 1 10 . 1 1 83 83 ASP C C 83 176.527 176.527 175.668 0.859 19755 4894 1 10 . 1 1 83 83 ASP CA C 83 54.864 54.864 54.858 0.006 19755 4895 1 10 . 1 1 83 83 ASP CB C 83 41.156 41.156 40.013 1.143 19755 4896 1 10 . 1 1 83 83 ASP H H 83 8.158 8.158 7.904 0.254 19755 4897 1 10 . 1 1 84 84 LEU N N 84 121.499 121.499 118.503 2.996 19755 4898 1 10 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.463 -0.280 19755 4899 1 10 . 1 1 84 84 LEU C C 84 177.585 177.585 177.163 0.422 19755 4900 1 10 . 1 1 84 84 LEU CA C 84 56.042 56.042 55.803 0.239 19755 4901 1 10 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.443 -1.064 19755 4902 1 10 . 1 1 84 84 LEU H H 84 7.955 7.955 7.580 0.375 19755 4903 1 10 . 1 1 85 85 ASP N N 85 119.668 119.668 119.308 0.360 19755 4904 1 10 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.461 0.039 19755 4905 1 10 . 1 1 85 85 ASP C C 85 176.445 176.445 177.012 -0.567 19755 4906 1 10 . 1 1 85 85 ASP CA C 85 55.143 55.143 56.559 -1.416 19755 4907 1 10 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.732 -0.616 19755 4908 1 10 . 1 1 85 85 ASP H H 85 8.207 8.207 8.424 -0.217 19755 4909 1 10 . 1 1 86 86 LYS N N 86 119.760 119.760 119.559 0.201 19755 4910 1 10 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.335 -0.082 19755 4911 1 10 . 1 1 86 86 LYS C C 86 176.336 176.336 175.572 0.764 19755 4912 1 10 . 1 1 86 86 LYS CA C 86 56.519 56.519 56.335 0.184 19755 4913 1 10 . 1 1 86 86 LYS CB C 86 33.072 33.072 32.676 0.396 19755 4914 1 10 . 1 1 86 86 LYS H H 86 7.843 7.843 8.252 -0.409 19755 4915 1 10 . 1 1 87 87 LEU N N 87 122.086 122.086 118.531 3.555 19755 4916 1 10 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.917 -0.608 19755 4917 1 10 . 1 1 87 87 LEU C C 87 176.952 176.952 175.440 1.512 19755 4918 1 10 . 1 1 87 87 LEU CA C 87 55.369 55.369 54.185 1.184 19755 4919 1 10 . 1 1 87 87 LEU CB C 87 42.407 42.407 44.554 -2.147 19755 4920 1 10 . 1 1 87 87 LEU H H 87 8.008 8.008 7.948 0.060 19755 4921 1 10 . 1 1 88 88 VAL N N 88 122.409 122.409 116.742 5.667 19755 4922 1 10 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.803 -0.429 19755 4923 1 10 . 1 1 88 88 VAL C C 88 174.225 174.225 173.581 0.644 19755 4924 1 10 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.785 0.207 19755 4925 1 10 . 1 1 88 88 VAL CB C 88 32.946 32.946 33.823 -0.877 19755 4926 1 10 . 1 1 88 88 VAL H H 88 7.919 7.919 8.619 -0.700 19755 4927 1 10 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.713 -0.343 19755 4928 1 10 . 1 1 89 89 PRO C C 89 176.035 176.035 175.863 0.172 19755 4929 1 10 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.101 0.491 19755 4930 1 10 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.241 -0.023 19755 4931 1 11 . 1 1 2 2 GLU N N 2 123.952 123.952 121.765 2.187 19755 4932 1 11 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.815 -0.134 19755 4933 1 11 . 1 1 2 2 GLU C C 2 174.704 174.704 175.680 -0.976 19755 4934 1 11 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.147 0.719 19755 4935 1 11 . 1 1 2 2 GLU CB C 2 32.406 32.406 29.959 2.447 19755 4936 1 11 . 1 1 2 2 GLU H H 2 8.571 8.571 8.861 -0.290 19755 4937 1 11 . 1 1 3 3 ILE N N 3 121.558 121.558 122.702 -1.144 19755 4938 1 11 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.351 0.361 19755 4939 1 11 . 1 1 3 3 ILE C C 3 174.736 174.736 176.692 -1.956 19755 4940 1 11 . 1 1 3 3 ILE CA C 3 60.277 60.277 60.572 -0.295 19755 4941 1 11 . 1 1 3 3 ILE CB C 3 40.861 40.861 38.162 2.699 19755 4942 1 11 . 1 1 3 3 ILE H H 3 8.565 8.565 8.327 0.238 19755 4943 1 11 . 1 1 4 4 GLU N N 4 126.319 126.319 126.224 0.095 19755 4944 1 11 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.633 -0.072 19755 4945 1 11 . 1 1 4 4 GLU C C 4 174.708 174.708 174.533 0.175 19755 4946 1 11 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.822 0.406 19755 4947 1 11 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.644 -0.635 19755 4948 1 11 . 1 1 4 4 GLU H H 4 9.153 9.153 9.011 0.142 19755 4949 1 11 . 1 1 5 5 ARG N N 5 127.727 127.727 125.723 2.004 19755 4950 1 11 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.641 -0.081 19755 4951 1 11 . 1 1 5 5 ARG C C 5 175.807 175.807 176.275 -0.468 19755 4952 1 11 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.639 0.484 19755 4953 1 11 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.792 -0.139 19755 4954 1 11 . 1 1 5 5 ARG H H 5 9.002 9.002 8.800 0.202 19755 4955 1 11 . 1 1 6 6 ILE N N 6 129.149 129.149 126.815 2.334 19755 4956 1 11 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.826 0.078 19755 4957 1 11 . 1 1 6 6 ILE C C 6 176.468 176.468 176.504 -0.036 19755 4958 1 11 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.982 -0.011 19755 4959 1 11 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.755 0.407 19755 4960 1 11 . 1 1 6 6 ILE H H 6 8.030 8.030 8.370 -0.340 19755 4961 1 11 . 1 1 7 7 ASN N N 7 112.808 112.808 115.827 -3.019 19755 4962 1 11 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.779 -0.220 19755 4963 1 11 . 1 1 7 7 ASN C C 7 175.254 175.254 173.641 1.613 19755 4964 1 11 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.918 0.935 19755 4965 1 11 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.183 -0.908 19755 4966 1 11 . 1 1 7 7 ASN H H 7 8.147 8.147 7.795 0.352 19755 4967 1 11 . 1 1 8 8 GLU N N 8 121.087 121.087 117.118 3.969 19755 4968 1 11 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.158 -0.108 19755 4969 1 11 . 1 1 8 8 GLU C C 8 176.486 176.486 175.918 0.568 19755 4970 1 11 . 1 1 8 8 GLU CA C 8 59.802 59.802 56.819 2.983 19755 4971 1 11 . 1 1 8 8 GLU CB C 8 29.451 29.451 28.944 0.507 19755 4972 1 11 . 1 1 8 8 GLU H H 8 8.770 8.770 8.545 0.225 19755 4973 1 11 . 1 1 9 9 HIS N N 9 113.719 113.719 114.859 -1.140 19755 4974 1 11 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.782 0.183 19755 4975 1 11 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.497 -0.692 19755 4976 1 11 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.651 0.333 19755 4977 1 11 . 1 1 9 9 HIS H H 9 7.921 7.921 8.307 -0.386 19755 4978 1 11 . 1 1 10 10 THR N N 10 116.218 116.218 117.724 -1.506 19755 4979 1 11 . 1 1 10 10 THR HA H 10 5.736 5.736 5.175 0.561 19755 4980 1 11 . 1 1 10 10 THR C C 10 173.396 173.396 173.374 0.022 19755 4981 1 11 . 1 1 10 10 THR CA C 10 62.820 62.820 62.222 0.598 19755 4982 1 11 . 1 1 10 10 THR CB C 10 71.465 71.465 70.385 1.080 19755 4983 1 11 . 1 1 10 10 THR H H 10 7.349 7.349 8.827 -1.478 19755 4984 1 11 . 1 1 11 11 VAL N N 11 124.880 124.880 121.375 3.505 19755 4985 1 11 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.026 -0.169 19755 4986 1 11 . 1 1 11 11 VAL C C 11 172.156 172.156 173.828 -1.672 19755 4987 1 11 . 1 1 11 11 VAL CA C 11 59.876 59.876 58.989 0.887 19755 4988 1 11 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.178 0.807 19755 4989 1 11 . 1 1 11 11 VAL H H 11 9.043 9.043 9.209 -0.166 19755 4990 1 11 . 1 1 12 12 LYS N N 12 124.164 124.164 119.018 5.146 19755 4991 1 11 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.471 0.113 19755 4992 1 11 . 1 1 12 12 LYS C C 12 173.380 173.380 174.984 -1.604 19755 4993 1 11 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.686 -0.481 19755 4994 1 11 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.892 0.565 19755 4995 1 11 . 1 1 12 12 LYS H H 12 8.884 8.884 8.290 0.594 19755 4996 1 11 . 1 1 13 13 PHE N N 13 124.228 124.228 113.674 10.554 19755 4997 1 11 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.549 -0.221 19755 4998 1 11 . 1 1 13 13 PHE C C 13 172.237 172.237 173.021 -0.784 19755 4999 1 11 . 1 1 13 13 PHE CA C 13 55.986 55.986 55.801 0.185 19755 5000 1 11 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.091 -0.175 19755 5001 1 11 . 1 1 13 13 PHE H H 13 8.989 8.989 8.886 0.103 19755 5002 1 11 . 1 1 14 14 TYR N N 14 121.263 121.263 120.822 0.441 19755 5003 1 11 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.487 -0.100 19755 5004 1 11 . 1 1 14 14 TYR C C 14 174.713 174.713 173.615 1.098 19755 5005 1 11 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.844 0.109 19755 5006 1 11 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.542 -1.034 19755 5007 1 11 . 1 1 14 14 TYR H H 14 8.670 8.670 8.641 0.029 19755 5008 1 11 . 1 1 15 15 MET N N 15 124.869 124.869 126.344 -1.475 19755 5009 1 11 . 1 1 15 15 MET HA H 15 4.417 4.417 4.703 -0.286 19755 5010 1 11 . 1 1 15 15 MET C C 15 173.614 173.614 173.640 -0.026 19755 5011 1 11 . 1 1 15 15 MET CA C 15 54.305 54.305 54.273 0.032 19755 5012 1 11 . 1 1 15 15 MET CB C 15 37.439 37.439 36.078 1.361 19755 5013 1 11 . 1 1 15 15 MET H H 15 7.927 7.927 8.583 -0.656 19755 5014 1 11 . 1 1 16 16 SER N N 16 120.626 120.626 123.160 -2.534 19755 5015 1 11 . 1 1 16 16 SER HA H 16 4.396 4.396 4.334 0.062 19755 5016 1 11 . 1 1 16 16 SER C C 16 175.508 175.508 175.538 -0.030 19755 5017 1 11 . 1 1 16 16 SER CA C 16 57.637 57.637 58.350 -0.713 19755 5018 1 11 . 1 1 16 16 SER CB C 16 65.033 65.033 64.053 0.980 19755 5019 1 11 . 1 1 16 16 SER H H 16 9.061 9.061 8.711 0.350 19755 5020 1 11 . 1 1 17 17 TYR N N 17 119.917 119.917 122.724 -2.807 19755 5021 1 11 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.207 0.153 19755 5022 1 11 . 1 1 17 17 TYR C C 17 178.684 178.684 178.162 0.522 19755 5023 1 11 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.209 1.747 19755 5024 1 11 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.610 -0.621 19755 5025 1 11 . 1 1 17 17 TYR H H 17 8.411 8.411 8.550 -0.139 19755 5026 1 11 . 1 1 18 18 GLY N N 18 107.011 107.011 105.755 1.256 19755 5027 1 11 . 1 1 18 18 GLY C C 18 175.454 175.454 175.988 -0.534 19755 5028 1 11 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.534 0.912 19755 5029 1 11 . 1 1 18 18 GLY H H 18 8.534 8.534 8.881 -0.347 19755 5030 1 11 . 1 1 19 19 ASP N N 19 122.947 122.947 122.121 0.826 19755 5031 1 11 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.528 -0.136 19755 5032 1 11 . 1 1 19 19 ASP C C 19 179.020 179.020 178.540 0.480 19755 5033 1 11 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.265 0.178 19755 5034 1 11 . 1 1 19 19 ASP CB C 19 40.914 40.914 40.966 -0.052 19755 5035 1 11 . 1 1 19 19 ASP H H 19 7.788 7.788 7.855 -0.067 19755 5036 1 11 . 1 1 20 20 ILE N N 20 119.114 119.114 120.872 -1.758 19755 5037 1 11 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.748 -0.220 19755 5038 1 11 . 1 1 20 20 ILE C C 20 177.939 177.939 177.662 0.277 19755 5039 1 11 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.853 1.457 19755 5040 1 11 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.263 0.623 19755 5041 1 11 . 1 1 20 20 ILE H H 20 7.762 7.762 7.467 0.295 19755 5042 1 11 . 1 1 21 21 GLU N N 21 119.999 119.999 120.334 -0.335 19755 5043 1 11 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.188 0.394 19755 5044 1 11 . 1 1 21 21 GLU C C 21 181.888 181.888 179.142 2.746 19755 5045 1 11 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.595 -0.388 19755 5046 1 11 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.272 0.142 19755 5047 1 11 . 1 1 21 21 GLU H H 21 8.113 8.113 8.462 -0.349 19755 5048 1 11 . 1 1 22 22 ASP N N 22 122.667 122.667 119.528 3.139 19755 5049 1 11 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.471 0.003 19755 5050 1 11 . 1 1 22 22 ASP C C 22 178.184 178.184 178.335 -0.151 19755 5051 1 11 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.451 0.884 19755 5052 1 11 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.025 -0.158 19755 5053 1 11 . 1 1 22 22 ASP H H 22 8.699 8.699 8.084 0.615 19755 5054 1 11 . 1 1 23 23 ARG N N 23 116.862 116.862 117.502 -0.640 19755 5055 1 11 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.402 -0.058 19755 5056 1 11 . 1 1 23 23 ARG C C 23 176.101 176.101 177.090 -0.989 19755 5057 1 11 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.518 0.134 19755 5058 1 11 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.709 0.088 19755 5059 1 11 . 1 1 23 23 ARG H H 23 7.380 7.380 7.731 -0.351 19755 5060 1 11 . 1 1 24 24 GLY N N 24 106.318 106.318 106.044 0.274 19755 5061 1 11 . 1 1 24 24 GLY C C 24 174.117 174.117 174.710 -0.593 19755 5062 1 11 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.460 0.033 19755 5063 1 11 . 1 1 24 24 GLY H H 24 8.004 8.004 7.886 0.118 19755 5064 1 11 . 1 1 25 25 PHE N N 25 118.274 118.274 120.279 -2.005 19755 5065 1 11 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.650 -0.028 19755 5066 1 11 . 1 1 25 25 PHE C C 25 174.127 174.127 174.896 -0.769 19755 5067 1 11 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.436 -0.506 19755 5068 1 11 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.102 1.769 19755 5069 1 11 . 1 1 25 25 PHE H H 25 7.550 7.550 8.338 -0.788 19755 5070 1 11 . 1 1 26 26 ASP N N 26 121.320 121.320 117.744 3.576 19755 5071 1 11 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.929 -0.035 19755 5072 1 11 . 1 1 26 26 ASP C C 26 177.370 177.370 177.250 0.120 19755 5073 1 11 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.499 0.608 19755 5074 1 11 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.747 0.319 19755 5075 1 11 . 1 1 26 26 ASP H H 26 8.891 8.891 8.408 0.483 19755 5076 1 11 . 1 1 27 27 ARG N N 27 124.100 124.100 124.370 -0.270 19755 5077 1 11 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.775 0.067 19755 5078 1 11 . 1 1 27 27 ARG C C 27 176.201 176.201 177.825 -1.624 19755 5079 1 11 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.041 0.815 19755 5080 1 11 . 1 1 27 27 ARG CB C 27 29.675 29.675 29.970 -0.295 19755 5081 1 11 . 1 1 27 27 ARG H H 27 9.033 9.033 8.693 0.340 19755 5082 1 11 . 1 1 28 28 GLU N N 28 118.451 118.451 118.996 -0.545 19755 5083 1 11 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.232 -0.195 19755 5084 1 11 . 1 1 28 28 GLU C C 28 178.889 178.889 178.841 0.048 19755 5085 1 11 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.331 -0.076 19755 5086 1 11 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.715 -0.265 19755 5087 1 11 . 1 1 28 28 GLU H H 28 8.362 8.362 8.403 -0.041 19755 5088 1 11 . 1 1 29 29 GLU N N 29 118.302 118.302 119.909 -1.607 19755 5089 1 11 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.184 -0.099 19755 5090 1 11 . 1 1 29 29 GLU C C 29 178.137 178.137 179.092 -0.955 19755 5091 1 11 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.247 -0.287 19755 5092 1 11 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.206 1.246 19755 5093 1 11 . 1 1 29 29 GLU H H 29 7.821 7.821 7.878 -0.057 19755 5094 1 11 . 1 1 30 30 ILE N N 30 115.456 115.456 118.544 -3.088 19755 5095 1 11 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.838 -0.211 19755 5096 1 11 . 1 1 30 30 ILE C C 30 176.229 176.229 178.154 -1.925 19755 5097 1 11 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.841 -3.777 19755 5098 1 11 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.963 -1.023 19755 5099 1 11 . 1 1 30 30 ILE H H 30 7.363 7.363 8.413 -1.050 19755 5100 1 11 . 1 1 31 31 TRP N N 31 116.714 116.714 118.625 -1.911 19755 5101 1 11 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.216 -0.066 19755 5102 1 11 . 1 1 31 31 TRP C C 31 178.092 178.092 177.291 0.801 19755 5103 1 11 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.484 1.134 19755 5104 1 11 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.162 0.466 19755 5105 1 11 . 1 1 31 31 TRP H H 31 7.410 7.410 7.246 0.164 19755 5106 1 11 . 1 1 32 32 TYR N N 32 112.769 112.769 113.065 -0.296 19755 5107 1 11 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.743 0.023 19755 5108 1 11 . 1 1 32 32 TYR C C 32 175.767 175.767 175.403 0.364 19755 5109 1 11 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.693 0.939 19755 5110 1 11 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.186 1.036 19755 5111 1 11 . 1 1 32 32 TYR H H 32 7.577 7.577 7.336 0.241 19755 5112 1 11 . 1 1 33 33 ASN N N 33 120.521 120.521 119.790 0.731 19755 5113 1 11 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.108 -0.060 19755 5114 1 11 . 1 1 33 33 ASN C C 33 174.851 174.851 174.719 0.132 19755 5115 1 11 . 1 1 33 33 ASN CA C 33 52.320 52.320 53.044 -0.724 19755 5116 1 11 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.421 -0.208 19755 5117 1 11 . 1 1 33 33 ASN H H 33 8.364 8.364 8.142 0.222 19755 5118 1 11 . 1 1 34 34 ARG N N 34 126.163 126.163 125.374 0.789 19755 5119 1 11 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.940 0.245 19755 5120 1 11 . 1 1 34 34 ARG C C 34 178.509 178.509 177.849 0.660 19755 5121 1 11 . 1 1 34 34 ARG CA C 34 58.504 58.504 60.323 -1.819 19755 5122 1 11 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.375 -0.882 19755 5123 1 11 . 1 1 34 34 ARG H H 34 8.830 8.830 8.986 -0.156 19755 5124 1 11 . 1 1 35 35 GLU N N 35 118.994 118.994 116.447 2.547 19755 5125 1 11 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.259 -0.099 19755 5126 1 11 . 1 1 35 35 GLU C C 35 179.839 179.839 178.617 1.222 19755 5127 1 11 . 1 1 35 35 GLU CA C 35 60.191 60.191 59.066 1.125 19755 5128 1 11 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.766 0.667 19755 5129 1 11 . 1 1 35 35 GLU H H 35 8.380 8.380 8.846 -0.466 19755 5130 1 11 . 1 1 36 36 ARG N N 36 119.197 119.197 119.657 -0.460 19755 5131 1 11 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.564 -0.164 19755 5132 1 11 . 1 1 36 36 ARG C C 36 178.217 178.217 178.792 -0.575 19755 5133 1 11 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.728 0.666 19755 5134 1 11 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.748 -0.214 19755 5135 1 11 . 1 1 36 36 ARG H H 36 7.686 7.686 8.094 -0.408 19755 5136 1 11 . 1 1 37 37 SER N N 37 114.607 114.607 116.715 -2.108 19755 5137 1 11 . 1 1 37 37 SER HA H 37 3.899 3.899 4.261 -0.362 19755 5138 1 11 . 1 1 37 37 SER C C 37 178.298 178.298 176.378 1.920 19755 5139 1 11 . 1 1 37 37 SER CA C 37 62.455 62.455 62.115 0.340 19755 5140 1 11 . 1 1 37 37 SER CB C 37 62.542 62.542 62.905 -0.363 19755 5141 1 11 . 1 1 37 37 SER H H 37 8.282 8.282 8.372 -0.090 19755 5142 1 11 . 1 1 38 38 GLU N N 38 121.063 121.063 122.186 -1.123 19755 5143 1 11 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.180 -0.424 19755 5144 1 11 . 1 1 38 38 GLU C C 38 177.182 177.182 178.912 -1.730 19755 5145 1 11 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.776 0.522 19755 5146 1 11 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.631 -0.357 19755 5147 1 11 . 1 1 38 38 GLU H H 38 7.849 7.849 7.938 -0.089 19755 5148 1 11 . 1 1 39 39 GLU N N 39 119.119 119.119 119.099 0.020 19755 5149 1 11 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.221 0.008 19755 5150 1 11 . 1 1 39 39 GLU C C 39 179.781 179.781 179.123 0.658 19755 5151 1 11 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.995 1.177 19755 5152 1 11 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.991 1.068 19755 5153 1 11 . 1 1 39 39 GLU H H 39 7.686 7.686 7.879 -0.193 19755 5154 1 11 . 1 1 40 40 LEU N N 40 120.164 120.164 120.276 -0.112 19755 5155 1 11 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.861 -0.169 19755 5156 1 11 . 1 1 40 40 LEU C C 40 177.155 177.155 177.993 -0.838 19755 5157 1 11 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.294 -0.030 19755 5158 1 11 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.030 -0.581 19755 5159 1 11 . 1 1 40 40 LEU H H 40 7.739 7.739 7.826 -0.087 19755 5160 1 11 . 1 1 41 41 PHE N N 41 118.207 118.207 117.425 0.782 19755 5161 1 11 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.163 -0.358 19755 5162 1 11 . 1 1 41 41 PHE C C 41 176.387 176.387 177.841 -1.454 19755 5163 1 11 . 1 1 41 41 PHE CA C 41 61.364 61.364 62.014 -0.650 19755 5164 1 11 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.030 0.039 19755 5165 1 11 . 1 1 41 41 PHE H H 41 7.825 7.825 7.394 0.431 19755 5166 1 11 . 1 1 42 42 TRP N N 42 117.448 117.448 118.257 -0.809 19755 5167 1 11 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.256 -0.132 19755 5168 1 11 . 1 1 42 42 TRP C C 42 179.071 179.071 178.557 0.514 19755 5169 1 11 . 1 1 42 42 TRP CA C 42 60.079 60.079 60.949 -0.870 19755 5170 1 11 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.369 0.085 19755 5171 1 11 . 1 1 42 42 TRP H H 42 8.266 8.266 8.840 -0.574 19755 5172 1 11 . 1 1 43 43 GLU N N 43 120.573 120.573 119.914 0.659 19755 5173 1 11 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.059 0.100 19755 5174 1 11 . 1 1 43 43 GLU C C 43 179.556 179.556 178.623 0.933 19755 5175 1 11 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.565 0.616 19755 5176 1 11 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.492 0.010 19755 5177 1 11 . 1 1 43 43 GLU H H 43 7.918 7.918 7.778 0.140 19755 5178 1 11 . 1 1 44 44 VAL N N 44 119.502 119.502 117.422 2.080 19755 5179 1 11 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.544 -0.099 19755 5180 1 11 . 1 1 44 44 VAL C C 44 178.356 178.356 177.896 0.460 19755 5181 1 11 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.891 0.499 19755 5182 1 11 . 1 1 44 44 VAL CB C 44 31.220 31.220 30.990 0.230 19755 5183 1 11 . 1 1 44 44 VAL H H 44 7.947 7.947 7.625 0.322 19755 5184 1 11 . 1 1 45 45 MET N N 45 117.691 117.691 118.331 -0.640 19755 5185 1 11 . 1 1 45 45 MET HA H 45 4.118 4.118 4.113 0.005 19755 5186 1 11 . 1 1 45 45 MET C C 45 179.207 179.207 179.177 0.030 19755 5187 1 11 . 1 1 45 45 MET CA C 45 56.677 56.677 58.156 -1.479 19755 5188 1 11 . 1 1 45 45 MET CB C 45 31.094 31.094 31.161 -0.067 19755 5189 1 11 . 1 1 45 45 MET H H 45 7.998 7.998 8.141 -0.143 19755 5190 1 11 . 1 1 46 46 ASP N N 46 119.109 119.109 120.940 -1.831 19755 5191 1 11 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.489 0.052 19755 5192 1 11 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.459 -0.517 19755 5193 1 11 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.806 0.622 19755 5194 1 11 . 1 1 46 46 ASP H H 46 7.773 7.773 8.317 -0.544 19755 5195 1 11 . 1 1 47 47 GLU N N 47 118.018 118.018 119.695 -1.677 19755 5196 1 11 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.174 -0.006 19755 5197 1 11 . 1 1 47 47 GLU C C 47 177.957 177.957 177.258 0.699 19755 5198 1 11 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.451 -0.474 19755 5199 1 11 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.308 1.095 19755 5200 1 11 . 1 1 47 47 GLU H H 47 7.608 7.608 8.272 -0.664 19755 5201 1 11 . 1 1 48 48 VAL N N 48 115.277 115.277 117.442 -2.165 19755 5202 1 11 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.141 -0.036 19755 5203 1 11 . 1 1 48 48 VAL CA C 48 62.377 62.377 63.006 -0.629 19755 5204 1 11 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.400 1.466 19755 5205 1 11 . 1 1 48 48 VAL H H 48 7.508 7.508 7.470 0.038 19755 5206 1 11 . 1 1 49 49 HIS N N 49 121.222 121.222 122.139 -0.917 19755 5207 1 11 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.196 0.415 19755 5208 1 11 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.885 -2.885 19755 5209 1 11 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.194 -0.665 19755 5210 1 11 . 1 1 49 49 HIS H H 49 8.099 8.099 8.053 0.046 19755 5211 1 11 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.301 -0.079 19755 5212 1 11 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.555 -0.926 19755 5213 1 11 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.386 1.038 19755 5214 1 11 . 1 1 51 51 GLU N N 51 119.589 119.589 118.225 1.364 19755 5215 1 11 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.412 -0.178 19755 5216 1 11 . 1 1 51 51 GLU C C 51 176.279 176.279 178.410 -2.131 19755 5217 1 11 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.494 -0.947 19755 5218 1 11 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.868 -0.287 19755 5219 1 11 . 1 1 51 51 GLU H H 51 8.121 8.121 8.345 -0.224 19755 5220 1 11 . 1 1 52 52 GLU N N 52 122.410 122.410 121.195 1.215 19755 5221 1 11 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.068 0.242 19755 5222 1 11 . 1 1 52 52 GLU C C 52 176.127 176.127 178.736 -2.609 19755 5223 1 11 . 1 1 52 52 GLU CA C 52 56.508 56.508 59.297 -2.789 19755 5224 1 11 . 1 1 52 52 GLU CB C 52 30.565 30.565 29.586 0.979 19755 5225 1 11 . 1 1 52 52 GLU H H 52 8.412 8.412 8.491 -0.079 19755 5226 1 11 . 1 1 53 53 GLU N N 53 121.407 121.407 118.782 2.625 19755 5227 1 11 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.986 0.308 19755 5228 1 11 . 1 1 53 53 GLU C C 53 176.242 176.242 178.002 -1.760 19755 5229 1 11 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.625 -2.018 19755 5230 1 11 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.679 1.760 19755 5231 1 11 . 1 1 53 53 GLU H H 53 8.361 8.361 8.084 0.277 19755 5232 1 11 . 1 1 54 54 PHE N N 54 121.128 121.128 119.662 1.466 19755 5233 1 11 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.458 0.136 19755 5234 1 11 . 1 1 54 54 PHE C C 54 176.021 176.021 175.479 0.542 19755 5235 1 11 . 1 1 54 54 PHE CA C 54 57.554 57.554 58.472 -0.918 19755 5236 1 11 . 1 1 54 54 PHE CB C 54 40.192 40.192 40.216 -0.024 19755 5237 1 11 . 1 1 54 54 PHE H H 54 8.147 8.147 7.879 0.268 19755 5238 1 11 . 1 1 55 55 ALA N N 55 126.124 126.124 120.047 6.077 19755 5239 1 11 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.533 -0.112 19755 5240 1 11 . 1 1 55 55 ALA C C 55 177.391 177.391 176.192 1.199 19755 5241 1 11 . 1 1 55 55 ALA CA C 55 52.373 52.373 51.971 0.402 19755 5242 1 11 . 1 1 55 55 ALA CB C 55 19.512 19.512 20.925 -1.413 19755 5243 1 11 . 1 1 55 55 ALA H H 55 8.124 8.124 8.087 0.037 19755 5244 1 11 . 1 1 56 56 VAL N N 56 119.019 119.019 120.883 -1.864 19755 5245 1 11 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.083 0.050 19755 5246 1 11 . 1 1 56 56 VAL C C 56 176.128 176.128 174.527 1.601 19755 5247 1 11 . 1 1 56 56 VAL CA C 56 62.306 62.306 62.431 -0.125 19755 5248 1 11 . 1 1 56 56 VAL CB C 56 33.274 33.274 30.377 2.897 19755 5249 1 11 . 1 1 56 56 VAL H H 56 7.958 7.958 7.893 0.065 19755 5250 1 11 . 1 1 57 57 GLU N N 57 124.588 124.588 123.155 1.433 19755 5251 1 11 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.466 0.029 19755 5252 1 11 . 1 1 57 57 GLU C C 57 176.082 176.082 175.753 0.329 19755 5253 1 11 . 1 1 57 57 GLU CA C 57 56.056 56.056 55.931 0.125 19755 5254 1 11 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.910 1.393 19755 5255 1 11 . 1 1 57 57 GLU H H 57 8.413 8.413 8.207 0.206 19755 5256 1 11 . 1 1 58 58 GLY N N 58 110.794 110.794 109.217 1.577 19755 5257 1 11 . 1 1 58 58 GLY C C 58 170.660 170.660 171.995 -1.335 19755 5258 1 11 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.921 -0.064 19755 5259 1 11 . 1 1 58 58 GLY H H 58 8.040 8.040 7.935 0.105 19755 5260 1 11 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.498 -0.067 19755 5261 1 11 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.376 0.713 19755 5262 1 11 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.776 -0.302 19755 5263 1 11 . 1 1 60 60 LEU N N 60 120.609 120.609 119.312 1.297 19755 5264 1 11 . 1 1 60 60 LEU C C 60 176.392 176.392 175.071 1.321 19755 5265 1 11 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.293 -0.369 19755 5266 1 11 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.520 -0.482 19755 5267 1 11 . 1 1 60 60 LEU H H 60 8.367 8.367 7.973 0.394 19755 5268 1 11 . 1 1 61 61 TRP N N 61 124.050 124.050 124.776 -0.726 19755 5269 1 11 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.887 0.074 19755 5270 1 11 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.774 -0.641 19755 5271 1 11 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.263 -2.397 19755 5272 1 11 . 1 1 61 61 TRP H H 61 9.101 9.101 8.304 0.797 19755 5273 1 11 . 1 1 62 62 ILE N N 62 121.315 121.315 121.003 0.312 19755 5274 1 11 . 1 1 62 62 ILE C C 62 174.576 174.576 174.762 -0.186 19755 5275 1 11 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.425 1.131 19755 5276 1 11 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.209 -0.570 19755 5277 1 11 . 1 1 62 62 ILE H H 62 7.863 7.863 8.529 -0.666 19755 5278 1 11 . 1 1 63 63 GLN N N 63 127.300 127.300 125.073 2.227 19755 5279 1 11 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.870 -0.336 19755 5280 1 11 . 1 1 63 63 GLN C C 63 173.768 173.768 173.506 0.262 19755 5281 1 11 . 1 1 63 63 GLN CA C 63 54.409 54.409 55.148 -0.739 19755 5282 1 11 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.358 -3.049 19755 5283 1 11 . 1 1 63 63 GLN H H 63 8.881 8.881 9.097 -0.216 19755 5284 1 11 . 1 1 64 64 VAL N N 64 123.414 123.414 121.443 1.971 19755 5285 1 11 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.925 -0.248 19755 5286 1 11 . 1 1 64 64 VAL C C 64 174.737 174.737 174.221 0.516 19755 5287 1 11 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.614 0.352 19755 5288 1 11 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.900 -1.480 19755 5289 1 11 . 1 1 64 64 VAL H H 64 8.330 8.330 8.522 -0.192 19755 5290 1 11 . 1 1 65 65 GLN N N 65 125.152 125.152 123.900 1.252 19755 5291 1 11 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.755 -0.004 19755 5292 1 11 . 1 1 65 65 GLN C C 65 174.043 174.043 174.234 -0.191 19755 5293 1 11 . 1 1 65 65 GLN CA C 65 54.421 54.421 54.328 0.093 19755 5294 1 11 . 1 1 65 65 GLN CB C 65 31.956 31.956 33.292 -1.336 19755 5295 1 11 . 1 1 65 65 GLN H H 65 8.938 8.938 8.893 0.045 19755 5296 1 11 . 1 1 66 66 ALA N N 66 127.534 127.534 124.747 2.787 19755 5297 1 11 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.873 -0.237 19755 5298 1 11 . 1 1 66 66 ALA C C 66 176.740 176.740 176.278 0.462 19755 5299 1 11 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.246 1.555 19755 5300 1 11 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.188 -0.842 19755 5301 1 11 . 1 1 66 66 ALA H H 66 8.808 8.808 8.609 0.199 19755 5302 1 11 . 1 1 67 67 LEU N N 67 124.609 124.609 123.160 1.449 19755 5303 1 11 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.784 0.001 19755 5304 1 11 . 1 1 67 67 LEU C C 67 177.190 177.190 178.199 -1.009 19755 5305 1 11 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.765 -0.180 19755 5306 1 11 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.644 -0.798 19755 5307 1 11 . 1 1 67 67 LEU H H 67 8.541 8.541 8.862 -0.321 19755 5308 1 11 . 1 1 68 68 ASP N N 68 120.713 120.713 119.882 0.831 19755 5309 1 11 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.472 -0.042 19755 5310 1 11 . 1 1 68 68 ASP C C 68 177.319 177.319 176.214 1.105 19755 5311 1 11 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.501 1.589 19755 5312 1 11 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.232 -0.317 19755 5313 1 11 . 1 1 68 68 ASP H H 68 8.539 8.539 8.775 -0.236 19755 5314 1 11 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.107 0.495 19755 5315 1 11 . 1 1 69 69 LYS C C 69 176.282 176.282 174.277 2.005 19755 5316 1 11 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.758 1.059 19755 5317 1 11 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.359 1.204 19755 5318 1 11 . 1 1 70 70 GLY N N 70 110.325 110.325 106.150 4.175 19755 5319 1 11 . 1 1 70 70 GLY C C 70 169.572 169.572 171.376 -1.804 19755 5320 1 11 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.538 -0.173 19755 5321 1 11 . 1 1 70 70 GLY H H 70 6.977 6.977 7.158 -0.181 19755 5322 1 11 . 1 1 71 71 LEU N N 71 116.716 116.716 119.333 -2.617 19755 5323 1 11 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.112 -0.096 19755 5324 1 11 . 1 1 71 71 LEU C C 71 174.299 174.299 175.247 -0.948 19755 5325 1 11 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.086 -1.029 19755 5326 1 11 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.447 -0.555 19755 5327 1 11 . 1 1 71 71 LEU H H 71 8.032 8.032 8.468 -0.436 19755 5328 1 11 . 1 1 72 72 GLU N N 72 120.507 120.507 122.390 -1.883 19755 5329 1 11 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.084 -0.118 19755 5330 1 11 . 1 1 72 72 GLU C C 72 174.588 174.588 175.373 -0.785 19755 5331 1 11 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.857 -0.823 19755 5332 1 11 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.846 1.546 19755 5333 1 11 . 1 1 72 72 GLU H H 72 8.739 8.739 8.260 0.479 19755 5334 1 11 . 1 1 73 73 ILE N N 73 127.226 127.226 122.060 5.166 19755 5335 1 11 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.455 0.071 19755 5336 1 11 . 1 1 73 73 ILE C C 73 173.786 173.786 173.985 -0.199 19755 5337 1 11 . 1 1 73 73 ILE CA C 73 60.428 60.428 60.090 0.338 19755 5338 1 11 . 1 1 73 73 ILE CB C 73 39.105 39.105 40.155 -1.050 19755 5339 1 11 . 1 1 73 73 ILE H H 73 8.755 8.755 8.776 -0.021 19755 5340 1 11 . 1 1 74 74 ILE N N 74 126.107 126.107 127.840 -1.733 19755 5341 1 11 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.723 -0.057 19755 5342 1 11 . 1 1 74 74 ILE C C 74 175.304 175.304 174.892 0.412 19755 5343 1 11 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.375 1.433 19755 5344 1 11 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.297 0.135 19755 5345 1 11 . 1 1 74 74 ILE H H 74 8.691 8.691 9.043 -0.352 19755 5346 1 11 . 1 1 75 75 VAL N N 75 128.967 128.967 125.255 3.712 19755 5347 1 11 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.170 -0.565 19755 5348 1 11 . 1 1 75 75 VAL C C 75 174.187 174.187 174.990 -0.803 19755 5349 1 11 . 1 1 75 75 VAL CA C 75 61.420 61.420 60.477 0.943 19755 5350 1 11 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.010 -1.365 19755 5351 1 11 . 1 1 75 75 VAL H H 75 9.178 9.178 9.302 -0.124 19755 5352 1 11 . 1 1 76 76 THR HA H 76 5.743 5.743 5.210 0.533 19755 5353 1 11 . 1 1 76 76 THR CA C 76 59.957 59.957 59.218 0.739 19755 5354 1 11 . 1 1 76 76 THR CB C 76 71.833 71.833 72.387 -0.554 19755 5355 1 11 . 1 1 77 77 LYS N N 77 124.204 124.204 120.435 3.769 19755 5356 1 11 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.808 -0.220 19755 5357 1 11 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.708 1.043 19755 5358 1 11 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.925 -1.978 19755 5359 1 11 . 1 1 77 77 LYS H H 77 8.688 8.688 8.603 0.085 19755 5360 1 11 . 1 1 78 78 ALA N N 78 125.102 125.102 123.967 1.135 19755 5361 1 11 . 1 1 78 78 ALA HA H 78 3.976 3.976 3.991 -0.015 19755 5362 1 11 . 1 1 78 78 ALA C C 78 176.776 176.776 176.322 0.454 19755 5363 1 11 . 1 1 78 78 ALA CA C 78 52.431 52.431 53.148 -0.717 19755 5364 1 11 . 1 1 78 78 ALA CB C 78 19.542 19.542 18.844 0.698 19755 5365 1 11 . 1 1 78 78 ALA H H 78 8.137 8.137 8.447 -0.310 19755 5366 1 11 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.261 -0.176 19755 5367 1 11 . 1 1 79 79 GLN CA C 79 55.540 55.540 54.765 0.775 19755 5368 1 11 . 1 1 79 79 GLN CB C 79 29.617 29.617 30.121 -0.504 19755 5369 1 11 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.552 -0.257 19755 5370 1 11 . 1 1 80 80 LEU CA C 80 55.034 55.034 55.511 -0.477 19755 5371 1 11 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.323 -0.003 19755 5372 1 11 . 1 1 81 81 SER N N 81 116.580 116.580 118.664 -2.084 19755 5373 1 11 . 1 1 81 81 SER HA H 81 4.291 4.291 4.400 -0.109 19755 5374 1 11 . 1 1 81 81 SER C C 81 174.770 174.770 174.384 0.386 19755 5375 1 11 . 1 1 81 81 SER CA C 81 58.674 58.674 58.746 -0.072 19755 5376 1 11 . 1 1 81 81 SER CB C 81 63.931 63.931 61.850 2.080 19755 5377 1 11 . 1 1 81 81 SER H H 81 8.214 8.214 8.496 -0.282 19755 5378 1 11 . 1 1 82 82 LYS N N 82 122.968 122.968 120.561 2.407 19755 5379 1 11 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.158 0.125 19755 5380 1 11 . 1 1 82 82 LYS C C 82 176.222 176.222 177.244 -1.022 19755 5381 1 11 . 1 1 82 82 LYS CA C 82 56.542 56.542 57.598 -1.056 19755 5382 1 11 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.759 0.182 19755 5383 1 11 . 1 1 82 82 LYS H H 82 8.255 8.255 7.800 0.455 19755 5384 1 11 . 1 1 83 83 ASP N N 83 120.305 120.305 119.140 1.165 19755 5385 1 11 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.592 -0.046 19755 5386 1 11 . 1 1 83 83 ASP C C 83 176.527 176.527 175.524 1.003 19755 5387 1 11 . 1 1 83 83 ASP CA C 83 54.864 54.864 54.720 0.144 19755 5388 1 11 . 1 1 83 83 ASP CB C 83 41.156 41.156 40.795 0.361 19755 5389 1 11 . 1 1 83 83 ASP H H 83 8.158 8.158 8.152 0.006 19755 5390 1 11 . 1 1 84 84 LEU N N 84 121.499 121.499 126.358 -4.859 19755 5391 1 11 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.493 -0.310 19755 5392 1 11 . 1 1 84 84 LEU C C 84 177.585 177.585 176.613 0.972 19755 5393 1 11 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.405 -0.363 19755 5394 1 11 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.202 -0.823 19755 5395 1 11 . 1 1 84 84 LEU H H 84 7.955 7.955 8.216 -0.261 19755 5396 1 11 . 1 1 85 85 ASP N N 85 119.668 119.668 119.728 -0.060 19755 5397 1 11 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.507 -0.007 19755 5398 1 11 . 1 1 85 85 ASP C C 85 176.445 176.445 176.903 -0.458 19755 5399 1 11 . 1 1 85 85 ASP CA C 85 55.143 55.143 55.356 -0.213 19755 5400 1 11 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.294 -0.178 19755 5401 1 11 . 1 1 85 85 ASP H H 85 8.207 8.207 8.433 -0.226 19755 5402 1 11 . 1 1 86 86 LYS N N 86 119.760 119.760 120.235 -0.475 19755 5403 1 11 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.291 -0.038 19755 5404 1 11 . 1 1 86 86 LYS C C 86 176.336 176.336 176.728 -0.392 19755 5405 1 11 . 1 1 86 86 LYS CA C 86 56.519 56.519 56.006 0.513 19755 5406 1 11 . 1 1 86 86 LYS CB C 86 33.072 33.072 32.893 0.179 19755 5407 1 11 . 1 1 86 86 LYS H H 86 7.843 7.843 8.302 -0.459 19755 5408 1 11 . 1 1 87 87 LEU N N 87 122.086 122.086 122.491 -0.405 19755 5409 1 11 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.319 -0.010 19755 5410 1 11 . 1 1 87 87 LEU C C 87 176.952 176.952 177.344 -0.392 19755 5411 1 11 . 1 1 87 87 LEU CA C 87 55.369 55.369 55.139 0.230 19755 5412 1 11 . 1 1 87 87 LEU CB C 87 42.407 42.407 41.821 0.586 19755 5413 1 11 . 1 1 87 87 LEU H H 87 8.008 8.008 8.306 -0.298 19755 5414 1 11 . 1 1 88 88 VAL N N 88 122.409 122.409 119.414 2.995 19755 5415 1 11 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.645 -0.271 19755 5416 1 11 . 1 1 88 88 VAL C C 88 174.225 174.225 174.182 0.043 19755 5417 1 11 . 1 1 88 88 VAL CA C 88 59.992 59.992 58.850 1.142 19755 5418 1 11 . 1 1 88 88 VAL CB C 88 32.946 32.946 30.559 2.387 19755 5419 1 11 . 1 1 88 88 VAL H H 88 7.919 7.919 8.213 -0.294 19755 5420 1 11 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.517 -0.147 19755 5421 1 11 . 1 1 89 89 PRO C C 89 176.035 176.035 176.191 -0.156 19755 5422 1 11 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.119 0.473 19755 5423 1 11 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.135 0.083 19755 5424 1 12 . 1 1 2 2 GLU N N 2 123.952 123.952 120.950 3.002 19755 5425 1 12 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.867 -0.186 19755 5426 1 12 . 1 1 2 2 GLU C C 2 174.704 174.704 174.663 0.041 19755 5427 1 12 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.616 0.250 19755 5428 1 12 . 1 1 2 2 GLU CB C 2 32.406 32.406 33.043 -0.637 19755 5429 1 12 . 1 1 2 2 GLU H H 2 8.571 8.571 8.534 0.037 19755 5430 1 12 . 1 1 3 3 ILE N N 3 121.558 121.558 123.572 -2.014 19755 5431 1 12 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.947 -0.235 19755 5432 1 12 . 1 1 3 3 ILE C C 3 174.736 174.736 175.485 -0.749 19755 5433 1 12 . 1 1 3 3 ILE CA C 3 60.277 60.277 58.629 1.648 19755 5434 1 12 . 1 1 3 3 ILE CB C 3 40.861 40.861 40.870 -0.009 19755 5435 1 12 . 1 1 3 3 ILE H H 3 8.565 8.565 8.616 -0.051 19755 5436 1 12 . 1 1 4 4 GLU N N 4 126.319 126.319 124.489 1.830 19755 5437 1 12 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.626 -0.065 19755 5438 1 12 . 1 1 4 4 GLU C C 4 174.708 174.708 174.585 0.123 19755 5439 1 12 . 1 1 4 4 GLU CA C 4 55.228 55.228 55.291 -0.063 19755 5440 1 12 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.872 -0.863 19755 5441 1 12 . 1 1 4 4 GLU H H 4 9.153 9.153 9.168 -0.015 19755 5442 1 12 . 1 1 5 5 ARG N N 5 127.727 127.727 128.495 -0.768 19755 5443 1 12 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.379 0.181 19755 5444 1 12 . 1 1 5 5 ARG C C 5 175.807 175.807 175.778 0.029 19755 5445 1 12 . 1 1 5 5 ARG CA C 5 55.123 55.123 55.309 -0.185 19755 5446 1 12 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.363 0.289 19755 5447 1 12 . 1 1 5 5 ARG H H 5 9.002 9.002 8.859 0.143 19755 5448 1 12 . 1 1 6 6 ILE N N 6 129.149 129.149 128.231 0.918 19755 5449 1 12 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.973 -0.069 19755 5450 1 12 . 1 1 6 6 ILE C C 6 176.468 176.468 176.826 -0.358 19755 5451 1 12 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.352 0.619 19755 5452 1 12 . 1 1 6 6 ILE CB C 6 38.162 38.162 38.014 0.148 19755 5453 1 12 . 1 1 6 6 ILE H H 6 8.030 8.030 8.489 -0.459 19755 5454 1 12 . 1 1 7 7 ASN N N 7 112.808 112.808 116.681 -3.873 19755 5455 1 12 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.785 -0.226 19755 5456 1 12 . 1 1 7 7 ASN C C 7 175.254 175.254 174.421 0.833 19755 5457 1 12 . 1 1 7 7 ASN CA C 7 52.853 52.853 52.207 0.646 19755 5458 1 12 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.103 -0.828 19755 5459 1 12 . 1 1 7 7 ASN H H 7 8.147 8.147 7.801 0.346 19755 5460 1 12 . 1 1 8 8 GLU N N 8 121.087 121.087 118.201 2.886 19755 5461 1 12 . 1 1 8 8 GLU HA H 8 4.050 4.050 3.977 0.073 19755 5462 1 12 . 1 1 8 8 GLU C C 8 176.486 176.486 177.045 -0.559 19755 5463 1 12 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.583 1.219 19755 5464 1 12 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.291 0.160 19755 5465 1 12 . 1 1 8 8 GLU H H 8 8.770 8.770 8.749 0.021 19755 5466 1 12 . 1 1 9 9 HIS N N 9 113.719 113.719 115.456 -1.737 19755 5467 1 12 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.743 0.222 19755 5468 1 12 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.508 -0.703 19755 5469 1 12 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.094 0.890 19755 5470 1 12 . 1 1 9 9 HIS H H 9 7.921 7.921 8.114 -0.193 19755 5471 1 12 . 1 1 10 10 THR N N 10 116.218 116.218 117.911 -1.693 19755 5472 1 12 . 1 1 10 10 THR HA H 10 5.736 5.736 4.993 0.743 19755 5473 1 12 . 1 1 10 10 THR C C 10 173.396 173.396 173.834 -0.438 19755 5474 1 12 . 1 1 10 10 THR CA C 10 62.820 62.820 62.962 -0.142 19755 5475 1 12 . 1 1 10 10 THR CB C 10 71.465 71.465 70.198 1.267 19755 5476 1 12 . 1 1 10 10 THR H H 10 7.349 7.349 8.750 -1.401 19755 5477 1 12 . 1 1 11 11 VAL N N 11 124.880 124.880 118.714 6.166 19755 5478 1 12 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.251 -0.394 19755 5479 1 12 . 1 1 11 11 VAL C C 11 172.156 172.156 173.778 -1.622 19755 5480 1 12 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.037 0.839 19755 5481 1 12 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.413 0.574 19755 5482 1 12 . 1 1 11 11 VAL H H 11 9.043 9.043 9.120 -0.077 19755 5483 1 12 . 1 1 12 12 LYS N N 12 124.164 124.164 118.798 5.366 19755 5484 1 12 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.522 0.062 19755 5485 1 12 . 1 1 12 12 LYS C C 12 173.380 173.380 175.008 -1.628 19755 5486 1 12 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.358 -0.152 19755 5487 1 12 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.925 0.532 19755 5488 1 12 . 1 1 12 12 LYS H H 12 8.884 8.884 9.040 -0.156 19755 5489 1 12 . 1 1 13 13 PHE N N 13 124.228 124.228 114.215 10.013 19755 5490 1 12 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.393 -0.065 19755 5491 1 12 . 1 1 13 13 PHE C C 13 172.237 172.237 172.893 -0.656 19755 5492 1 12 . 1 1 13 13 PHE CA C 13 55.986 55.986 55.944 0.042 19755 5493 1 12 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.339 -0.423 19755 5494 1 12 . 1 1 13 13 PHE H H 13 8.989 8.989 8.987 0.002 19755 5495 1 12 . 1 1 14 14 TYR N N 14 121.263 121.263 120.665 0.598 19755 5496 1 12 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.543 -0.156 19755 5497 1 12 . 1 1 14 14 TYR C C 14 174.713 174.713 173.377 1.336 19755 5498 1 12 . 1 1 14 14 TYR CA C 14 55.953 55.953 56.070 -0.117 19755 5499 1 12 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.870 -1.362 19755 5500 1 12 . 1 1 14 14 TYR H H 14 8.670 8.670 9.231 -0.561 19755 5501 1 12 . 1 1 15 15 MET N N 15 124.869 124.869 125.131 -0.262 19755 5502 1 12 . 1 1 15 15 MET HA H 15 4.417 4.417 4.655 -0.238 19755 5503 1 12 . 1 1 15 15 MET C C 15 173.614 173.614 173.557 0.057 19755 5504 1 12 . 1 1 15 15 MET CA C 15 54.305 54.305 54.432 -0.127 19755 5505 1 12 . 1 1 15 15 MET CB C 15 37.439 37.439 36.039 1.400 19755 5506 1 12 . 1 1 15 15 MET H H 15 7.927 7.927 8.441 -0.514 19755 5507 1 12 . 1 1 16 16 SER N N 16 120.626 120.626 123.099 -2.473 19755 5508 1 12 . 1 1 16 16 SER HA H 16 4.396 4.396 4.338 0.058 19755 5509 1 12 . 1 1 16 16 SER C C 16 175.508 175.508 176.029 -0.521 19755 5510 1 12 . 1 1 16 16 SER CA C 16 57.637 57.637 58.475 -0.838 19755 5511 1 12 . 1 1 16 16 SER CB C 16 65.033 65.033 63.926 1.107 19755 5512 1 12 . 1 1 16 16 SER H H 16 9.061 9.061 8.748 0.313 19755 5513 1 12 . 1 1 17 17 TYR N N 17 119.917 119.917 123.718 -3.801 19755 5514 1 12 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.283 0.077 19755 5515 1 12 . 1 1 17 17 TYR C C 17 178.684 178.684 178.072 0.612 19755 5516 1 12 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.295 1.661 19755 5517 1 12 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.659 -0.670 19755 5518 1 12 . 1 1 17 17 TYR H H 17 8.411 8.411 8.631 -0.220 19755 5519 1 12 . 1 1 18 18 GLY N N 18 107.011 107.011 104.757 2.254 19755 5520 1 12 . 1 1 18 18 GLY C C 18 175.454 175.454 175.737 -0.283 19755 5521 1 12 . 1 1 18 18 GLY CA C 18 47.446 47.446 45.815 1.631 19755 5522 1 12 . 1 1 18 18 GLY H H 18 8.534 8.534 8.838 -0.304 19755 5523 1 12 . 1 1 19 19 ASP N N 19 122.947 122.947 122.535 0.412 19755 5524 1 12 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.491 -0.099 19755 5525 1 12 . 1 1 19 19 ASP C C 19 179.020 179.020 178.408 0.612 19755 5526 1 12 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.663 -0.220 19755 5527 1 12 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.055 -0.141 19755 5528 1 12 . 1 1 19 19 ASP H H 19 7.788 7.788 7.869 -0.081 19755 5529 1 12 . 1 1 20 20 ILE N N 20 119.114 119.114 120.390 -1.276 19755 5530 1 12 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.773 -0.245 19755 5531 1 12 . 1 1 20 20 ILE C C 20 177.939 177.939 177.541 0.398 19755 5532 1 12 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.805 1.505 19755 5533 1 12 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.282 0.604 19755 5534 1 12 . 1 1 20 20 ILE H H 20 7.762 7.762 7.603 0.159 19755 5535 1 12 . 1 1 21 21 GLU N N 21 119.999 119.999 120.227 -0.228 19755 5536 1 12 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.203 0.379 19755 5537 1 12 . 1 1 21 21 GLU C C 21 181.888 181.888 178.937 2.951 19755 5538 1 12 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.073 0.134 19755 5539 1 12 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.459 -0.045 19755 5540 1 12 . 1 1 21 21 GLU H H 21 8.113 8.113 8.213 -0.100 19755 5541 1 12 . 1 1 22 22 ASP N N 22 122.667 122.667 119.650 3.017 19755 5542 1 12 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.474 -0.000 19755 5543 1 12 . 1 1 22 22 ASP C C 22 178.184 178.184 178.163 0.021 19755 5544 1 12 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.477 0.858 19755 5545 1 12 . 1 1 22 22 ASP CB C 22 40.867 40.867 40.993 -0.126 19755 5546 1 12 . 1 1 22 22 ASP H H 22 8.699 8.699 8.094 0.605 19755 5547 1 12 . 1 1 23 23 ARG N N 23 116.862 116.862 117.593 -0.731 19755 5548 1 12 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.390 -0.046 19755 5549 1 12 . 1 1 23 23 ARG C C 23 176.101 176.101 177.106 -1.005 19755 5550 1 12 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.540 0.112 19755 5551 1 12 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.701 0.096 19755 5552 1 12 . 1 1 23 23 ARG H H 23 7.380 7.380 7.727 -0.347 19755 5553 1 12 . 1 1 24 24 GLY N N 24 106.318 106.318 106.034 0.284 19755 5554 1 12 . 1 1 24 24 GLY C C 24 174.117 174.117 174.689 -0.572 19755 5555 1 12 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.475 0.018 19755 5556 1 12 . 1 1 24 24 GLY H H 24 8.004 8.004 7.867 0.137 19755 5557 1 12 . 1 1 25 25 PHE N N 25 118.274 118.274 120.215 -1.941 19755 5558 1 12 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.653 -0.031 19755 5559 1 12 . 1 1 25 25 PHE C C 25 174.127 174.127 174.984 -0.857 19755 5560 1 12 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.344 -0.414 19755 5561 1 12 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.047 1.824 19755 5562 1 12 . 1 1 25 25 PHE H H 25 7.550 7.550 8.209 -0.659 19755 5563 1 12 . 1 1 26 26 ASP N N 26 121.320 121.320 118.008 3.312 19755 5564 1 12 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.933 -0.039 19755 5565 1 12 . 1 1 26 26 ASP C C 26 177.370 177.370 177.156 0.214 19755 5566 1 12 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.684 0.423 19755 5567 1 12 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.893 0.173 19755 5568 1 12 . 1 1 26 26 ASP H H 26 8.891 8.891 8.458 0.433 19755 5569 1 12 . 1 1 27 27 ARG N N 27 124.100 124.100 123.645 0.455 19755 5570 1 12 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.979 -0.137 19755 5571 1 12 . 1 1 27 27 ARG C C 27 176.201 176.201 176.958 -0.757 19755 5572 1 12 . 1 1 27 27 ARG CA C 27 59.857 59.857 58.764 1.093 19755 5573 1 12 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.053 -0.378 19755 5574 1 12 . 1 1 27 27 ARG H H 27 9.033 9.033 8.715 0.318 19755 5575 1 12 . 1 1 28 28 GLU N N 28 118.451 118.451 118.019 0.432 19755 5576 1 12 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.349 -0.312 19755 5577 1 12 . 1 1 28 28 GLU C C 28 178.889 178.889 179.177 -0.288 19755 5578 1 12 . 1 1 28 28 GLU CA C 28 59.255 59.255 58.801 0.454 19755 5579 1 12 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.871 -0.421 19755 5580 1 12 . 1 1 28 28 GLU H H 28 8.362 8.362 7.833 0.529 19755 5581 1 12 . 1 1 29 29 GLU N N 29 118.302 118.302 120.717 -2.415 19755 5582 1 12 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.138 -0.053 19755 5583 1 12 . 1 1 29 29 GLU C C 29 178.137 178.137 178.840 -0.703 19755 5584 1 12 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.196 -0.236 19755 5585 1 12 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.081 1.371 19755 5586 1 12 . 1 1 29 29 GLU H H 29 7.821 7.821 8.022 -0.201 19755 5587 1 12 . 1 1 30 30 ILE N N 30 115.456 115.456 118.179 -2.723 19755 5588 1 12 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.641 -0.014 19755 5589 1 12 . 1 1 30 30 ILE C C 30 176.229 176.229 177.673 -1.444 19755 5590 1 12 . 1 1 30 30 ILE CA C 30 62.063 62.063 64.938 -2.875 19755 5591 1 12 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.801 -0.861 19755 5592 1 12 . 1 1 30 30 ILE H H 30 7.363 7.363 8.033 -0.670 19755 5593 1 12 . 1 1 31 31 TRP N N 31 116.714 116.714 115.327 1.387 19755 5594 1 12 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.292 -0.142 19755 5595 1 12 . 1 1 31 31 TRP C C 31 178.092 178.092 176.498 1.594 19755 5596 1 12 . 1 1 31 31 TRP CA C 31 59.618 59.618 57.274 2.344 19755 5597 1 12 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.244 0.384 19755 5598 1 12 . 1 1 31 31 TRP H H 31 7.410 7.410 7.059 0.351 19755 5599 1 12 . 1 1 32 32 TYR N N 32 112.769 112.769 114.578 -1.809 19755 5600 1 12 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.733 0.033 19755 5601 1 12 . 1 1 32 32 TYR C C 32 175.767 175.767 175.132 0.635 19755 5602 1 12 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.467 1.165 19755 5603 1 12 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.046 1.176 19755 5604 1 12 . 1 1 32 32 TYR H H 32 7.577 7.577 7.270 0.307 19755 5605 1 12 . 1 1 33 33 ASN N N 33 120.521 120.521 119.670 0.851 19755 5606 1 12 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.151 -0.103 19755 5607 1 12 . 1 1 33 33 ASN C C 33 174.851 174.851 174.859 -0.008 19755 5608 1 12 . 1 1 33 33 ASN CA C 33 52.320 52.320 53.036 -0.716 19755 5609 1 12 . 1 1 33 33 ASN CB C 33 39.213 39.213 40.301 -1.088 19755 5610 1 12 . 1 1 33 33 ASN H H 33 8.364 8.364 7.866 0.498 19755 5611 1 12 . 1 1 34 34 ARG N N 34 126.163 126.163 124.786 1.377 19755 5612 1 12 . 1 1 34 34 ARG HA H 34 4.185 4.185 4.033 0.152 19755 5613 1 12 . 1 1 34 34 ARG C C 34 178.509 178.509 176.813 1.696 19755 5614 1 12 . 1 1 34 34 ARG CA C 34 58.504 58.504 59.040 -0.536 19755 5615 1 12 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.293 -0.800 19755 5616 1 12 . 1 1 34 34 ARG H H 34 8.830 8.830 8.923 -0.093 19755 5617 1 12 . 1 1 35 35 GLU N N 35 118.994 118.994 116.633 2.361 19755 5618 1 12 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.437 -0.277 19755 5619 1 12 . 1 1 35 35 GLU C C 35 179.839 179.839 177.666 2.173 19755 5620 1 12 . 1 1 35 35 GLU CA C 35 60.191 60.191 57.601 2.590 19755 5621 1 12 . 1 1 35 35 GLU CB C 35 29.433 29.433 29.331 0.102 19755 5622 1 12 . 1 1 35 35 GLU H H 35 8.380 8.380 8.600 -0.220 19755 5623 1 12 . 1 1 36 36 ARG N N 36 119.197 119.197 120.858 -1.661 19755 5624 1 12 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.545 -0.145 19755 5625 1 12 . 1 1 36 36 ARG C C 36 178.217 178.217 178.567 -0.350 19755 5626 1 12 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.378 1.016 19755 5627 1 12 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.898 -0.363 19755 5628 1 12 . 1 1 36 36 ARG H H 36 7.686 7.686 7.751 -0.065 19755 5629 1 12 . 1 1 37 37 SER N N 37 114.607 114.607 115.463 -0.856 19755 5630 1 12 . 1 1 37 37 SER HA H 37 3.899 3.899 4.206 -0.307 19755 5631 1 12 . 1 1 37 37 SER C C 37 178.298 178.298 176.315 1.983 19755 5632 1 12 . 1 1 37 37 SER CA C 37 62.455 62.455 61.357 1.098 19755 5633 1 12 . 1 1 37 37 SER CB C 37 62.542 62.542 63.012 -0.470 19755 5634 1 12 . 1 1 37 37 SER H H 37 8.282 8.282 8.371 -0.089 19755 5635 1 12 . 1 1 38 38 GLU N N 38 121.063 121.063 122.547 -1.484 19755 5636 1 12 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.287 -0.531 19755 5637 1 12 . 1 1 38 38 GLU C C 38 177.182 177.182 178.799 -1.617 19755 5638 1 12 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.395 0.902 19755 5639 1 12 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.480 -0.206 19755 5640 1 12 . 1 1 38 38 GLU H H 38 7.849 7.849 8.673 -0.824 19755 5641 1 12 . 1 1 39 39 GLU N N 39 119.119 119.119 119.281 -0.162 19755 5642 1 12 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.175 0.054 19755 5643 1 12 . 1 1 39 39 GLU C C 39 179.781 179.781 178.978 0.803 19755 5644 1 12 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.950 1.222 19755 5645 1 12 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.937 1.122 19755 5646 1 12 . 1 1 39 39 GLU H H 39 7.686 7.686 7.945 -0.259 19755 5647 1 12 . 1 1 40 40 LEU N N 40 120.164 120.164 120.352 -0.188 19755 5648 1 12 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.725 -0.033 19755 5649 1 12 . 1 1 40 40 LEU C C 40 177.155 177.155 177.940 -0.785 19755 5650 1 12 . 1 1 40 40 LEU CA C 40 58.264 58.264 57.995 0.269 19755 5651 1 12 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.196 -0.747 19755 5652 1 12 . 1 1 40 40 LEU H H 40 7.739 7.739 7.629 0.110 19755 5653 1 12 . 1 1 41 41 PHE N N 41 118.207 118.207 116.941 1.266 19755 5654 1 12 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.090 -0.285 19755 5655 1 12 . 1 1 41 41 PHE C C 41 176.387 176.387 177.768 -1.381 19755 5656 1 12 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.990 -0.626 19755 5657 1 12 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.179 -0.110 19755 5658 1 12 . 1 1 41 41 PHE H H 41 7.825 7.825 7.354 0.471 19755 5659 1 12 . 1 1 42 42 TRP N N 42 117.448 117.448 119.329 -1.881 19755 5660 1 12 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.210 -0.086 19755 5661 1 12 . 1 1 42 42 TRP C C 42 179.071 179.071 178.586 0.485 19755 5662 1 12 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.074 -0.995 19755 5663 1 12 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.416 0.038 19755 5664 1 12 . 1 1 42 42 TRP H H 42 8.266 8.266 8.766 -0.500 19755 5665 1 12 . 1 1 43 43 GLU N N 43 120.573 120.573 120.124 0.449 19755 5666 1 12 . 1 1 43 43 GLU HA H 43 4.159 4.159 3.995 0.164 19755 5667 1 12 . 1 1 43 43 GLU C C 43 179.556 179.556 178.836 0.720 19755 5668 1 12 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.711 0.470 19755 5669 1 12 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.642 -0.140 19755 5670 1 12 . 1 1 43 43 GLU H H 43 7.918 7.918 7.814 0.104 19755 5671 1 12 . 1 1 44 44 VAL N N 44 119.502 119.502 117.464 2.038 19755 5672 1 12 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.442 0.003 19755 5673 1 12 . 1 1 44 44 VAL C C 44 178.356 178.356 177.974 0.382 19755 5674 1 12 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.713 0.676 19755 5675 1 12 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.072 0.148 19755 5676 1 12 . 1 1 44 44 VAL H H 44 7.947 7.947 7.685 0.262 19755 5677 1 12 . 1 1 45 45 MET N N 45 117.691 117.691 120.138 -2.447 19755 5678 1 12 . 1 1 45 45 MET HA H 45 4.118 4.118 4.101 0.017 19755 5679 1 12 . 1 1 45 45 MET C C 45 179.207 179.207 177.841 1.366 19755 5680 1 12 . 1 1 45 45 MET CA C 45 56.677 56.677 57.121 -0.444 19755 5681 1 12 . 1 1 45 45 MET CB C 45 31.094 31.094 31.816 -0.722 19755 5682 1 12 . 1 1 45 45 MET H H 45 7.998 7.998 8.164 -0.166 19755 5683 1 12 . 1 1 46 46 ASP N N 46 119.109 119.109 119.239 -0.130 19755 5684 1 12 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.330 0.211 19755 5685 1 12 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.464 -0.522 19755 5686 1 12 . 1 1 46 46 ASP CB C 46 41.428 41.428 41.089 0.339 19755 5687 1 12 . 1 1 46 46 ASP H H 46 7.773 7.773 8.101 -0.328 19755 5688 1 12 . 1 1 47 47 GLU N N 47 118.018 118.018 118.838 -0.820 19755 5689 1 12 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.146 0.022 19755 5690 1 12 . 1 1 47 47 GLU C C 47 177.957 177.957 179.135 -1.178 19755 5691 1 12 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.679 -0.702 19755 5692 1 12 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.617 0.786 19755 5693 1 12 . 1 1 47 47 GLU H H 47 7.608 7.608 7.986 -0.378 19755 5694 1 12 . 1 1 48 48 VAL N N 48 115.277 115.277 119.645 -4.368 19755 5695 1 12 . 1 1 48 48 VAL HA H 48 4.105 4.105 3.803 0.302 19755 5696 1 12 . 1 1 48 48 VAL CA C 48 62.377 62.377 65.291 -2.914 19755 5697 1 12 . 1 1 48 48 VAL CB C 48 33.866 33.866 31.465 2.401 19755 5698 1 12 . 1 1 48 48 VAL H H 48 7.508 7.508 8.201 -0.693 19755 5699 1 12 . 1 1 49 49 HIS N N 49 121.222 121.222 120.525 0.697 19755 5700 1 12 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.155 0.456 19755 5701 1 12 . 1 1 49 49 HIS CA C 49 58.000 58.000 59.519 -1.519 19755 5702 1 12 . 1 1 49 49 HIS CB C 49 29.529 29.529 29.706 -0.177 19755 5703 1 12 . 1 1 49 49 HIS H H 49 8.099 8.099 7.955 0.144 19755 5704 1 12 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.293 -0.071 19755 5705 1 12 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.500 -0.871 19755 5706 1 12 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.550 0.873 19755 5707 1 12 . 1 1 51 51 GLU N N 51 119.589 119.589 115.850 3.739 19755 5708 1 12 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.412 -0.178 19755 5709 1 12 . 1 1 51 51 GLU C C 51 176.279 176.279 176.323 -0.044 19755 5710 1 12 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.224 -0.677 19755 5711 1 12 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.154 0.427 19755 5712 1 12 . 1 1 51 51 GLU H H 51 8.121 8.121 8.099 0.022 19755 5713 1 12 . 1 1 52 52 GLU N N 52 122.410 122.410 116.594 5.816 19755 5714 1 12 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.125 0.185 19755 5715 1 12 . 1 1 52 52 GLU C C 52 176.127 176.127 177.183 -1.056 19755 5716 1 12 . 1 1 52 52 GLU CA C 52 56.508 56.508 56.303 0.205 19755 5717 1 12 . 1 1 52 52 GLU CB C 52 30.565 30.565 31.341 -0.776 19755 5718 1 12 . 1 1 52 52 GLU H H 52 8.412 8.412 7.728 0.684 19755 5719 1 12 . 1 1 53 53 GLU N N 53 121.407 121.407 120.540 0.867 19755 5720 1 12 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.751 0.543 19755 5721 1 12 . 1 1 53 53 GLU C C 53 176.242 176.242 177.198 -0.956 19755 5722 1 12 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.803 -2.196 19755 5723 1 12 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.822 1.617 19755 5724 1 12 . 1 1 53 53 GLU H H 53 8.361 8.361 7.968 0.393 19755 5725 1 12 . 1 1 54 54 PHE N N 54 121.128 121.128 112.527 8.601 19755 5726 1 12 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.816 -0.222 19755 5727 1 12 . 1 1 54 54 PHE C C 54 176.021 176.021 174.712 1.309 19755 5728 1 12 . 1 1 54 54 PHE CA C 54 57.554 57.554 56.068 1.486 19755 5729 1 12 . 1 1 54 54 PHE CB C 54 40.192 40.192 38.844 1.348 19755 5730 1 12 . 1 1 54 54 PHE H H 54 8.147 8.147 6.944 1.203 19755 5731 1 12 . 1 1 55 55 ALA N N 55 126.124 126.124 122.328 3.796 19755 5732 1 12 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.550 -0.129 19755 5733 1 12 . 1 1 55 55 ALA C C 55 177.391 177.391 176.197 1.194 19755 5734 1 12 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.210 0.163 19755 5735 1 12 . 1 1 55 55 ALA CB C 55 19.512 19.512 20.609 -1.097 19755 5736 1 12 . 1 1 55 55 ALA H H 55 8.124 8.124 8.015 0.109 19755 5737 1 12 . 1 1 56 56 VAL N N 56 119.019 119.019 120.896 -1.877 19755 5738 1 12 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.105 0.028 19755 5739 1 12 . 1 1 56 56 VAL C C 56 176.128 176.128 174.912 1.216 19755 5740 1 12 . 1 1 56 56 VAL CA C 56 62.306 62.306 62.570 -0.264 19755 5741 1 12 . 1 1 56 56 VAL CB C 56 33.274 33.274 29.764 3.510 19755 5742 1 12 . 1 1 56 56 VAL H H 56 7.958 7.958 7.841 0.117 19755 5743 1 12 . 1 1 57 57 GLU N N 57 124.588 124.588 124.462 0.126 19755 5744 1 12 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.528 -0.033 19755 5745 1 12 . 1 1 57 57 GLU C C 57 176.082 176.082 175.715 0.367 19755 5746 1 12 . 1 1 57 57 GLU CA C 57 56.056 56.056 56.258 -0.202 19755 5747 1 12 . 1 1 57 57 GLU CB C 57 31.303 31.303 30.303 1.000 19755 5748 1 12 . 1 1 57 57 GLU H H 57 8.413 8.413 7.907 0.506 19755 5749 1 12 . 1 1 58 58 GLY N N 58 110.794 110.794 109.505 1.289 19755 5750 1 12 . 1 1 58 58 GLY C C 58 170.660 170.660 172.064 -1.404 19755 5751 1 12 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.661 0.196 19755 5752 1 12 . 1 1 58 58 GLY H H 58 8.040 8.040 7.849 0.191 19755 5753 1 12 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.491 -0.060 19755 5754 1 12 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.640 0.448 19755 5755 1 12 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.658 -0.184 19755 5756 1 12 . 1 1 60 60 LEU N N 60 120.609 120.609 118.670 1.939 19755 5757 1 12 . 1 1 60 60 LEU C C 60 176.392 176.392 175.830 0.562 19755 5758 1 12 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.111 -0.187 19755 5759 1 12 . 1 1 60 60 LEU CB C 60 45.038 45.038 44.914 0.124 19755 5760 1 12 . 1 1 60 60 LEU H H 60 8.367 8.367 8.043 0.324 19755 5761 1 12 . 1 1 61 61 TRP N N 61 124.050 124.050 121.567 2.483 19755 5762 1 12 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.804 0.157 19755 5763 1 12 . 1 1 61 61 TRP CA C 61 56.133 56.133 57.045 -0.912 19755 5764 1 12 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.130 -2.264 19755 5765 1 12 . 1 1 61 61 TRP H H 61 9.101 9.101 8.314 0.787 19755 5766 1 12 . 1 1 62 62 ILE N N 62 121.315 121.315 121.431 -0.116 19755 5767 1 12 . 1 1 62 62 ILE C C 62 174.576 174.576 174.801 -0.225 19755 5768 1 12 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.725 0.831 19755 5769 1 12 . 1 1 62 62 ILE CB C 62 40.639 40.639 40.424 0.215 19755 5770 1 12 . 1 1 62 62 ILE H H 62 7.863 7.863 8.313 -0.450 19755 5771 1 12 . 1 1 63 63 GLN N N 63 127.300 127.300 126.968 0.332 19755 5772 1 12 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.664 -0.130 19755 5773 1 12 . 1 1 63 63 GLN C C 63 173.768 173.768 174.226 -0.458 19755 5774 1 12 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.465 -0.056 19755 5775 1 12 . 1 1 63 63 GLN CB C 63 30.309 30.309 31.404 -1.095 19755 5776 1 12 . 1 1 63 63 GLN H H 63 8.881 8.881 9.060 -0.179 19755 5777 1 12 . 1 1 64 64 VAL N N 64 123.414 123.414 125.890 -2.476 19755 5778 1 12 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.171 0.506 19755 5779 1 12 . 1 1 64 64 VAL C C 64 174.737 174.737 175.338 -0.601 19755 5780 1 12 . 1 1 64 64 VAL CA C 64 60.965 60.965 62.703 -1.738 19755 5781 1 12 . 1 1 64 64 VAL CB C 64 34.420 34.420 32.605 1.815 19755 5782 1 12 . 1 1 64 64 VAL H H 64 8.330 8.330 8.511 -0.181 19755 5783 1 12 . 1 1 65 65 GLN N N 65 125.152 125.152 124.729 0.423 19755 5784 1 12 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.551 0.200 19755 5785 1 12 . 1 1 65 65 GLN C C 65 174.043 174.043 173.530 0.513 19755 5786 1 12 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.552 0.869 19755 5787 1 12 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.371 -0.415 19755 5788 1 12 . 1 1 65 65 GLN H H 65 8.938 8.938 8.903 0.035 19755 5789 1 12 . 1 1 66 66 ALA N N 66 127.534 127.534 123.655 3.879 19755 5790 1 12 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.843 -0.207 19755 5791 1 12 . 1 1 66 66 ALA C C 66 176.740 176.740 176.179 0.561 19755 5792 1 12 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.045 1.756 19755 5793 1 12 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.489 -1.143 19755 5794 1 12 . 1 1 66 66 ALA H H 66 8.808 8.808 8.592 0.216 19755 5795 1 12 . 1 1 67 67 LEU N N 67 124.609 124.609 122.083 2.526 19755 5796 1 12 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.755 0.030 19755 5797 1 12 . 1 1 67 67 LEU C C 67 177.190 177.190 178.267 -1.077 19755 5798 1 12 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.930 -0.345 19755 5799 1 12 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.540 -0.694 19755 5800 1 12 . 1 1 67 67 LEU H H 67 8.541 8.541 8.861 -0.320 19755 5801 1 12 . 1 1 68 68 ASP N N 68 120.713 120.713 120.789 -0.076 19755 5802 1 12 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.466 -0.036 19755 5803 1 12 . 1 1 68 68 ASP C C 68 177.319 177.319 176.612 0.707 19755 5804 1 12 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.705 1.385 19755 5805 1 12 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.131 -0.216 19755 5806 1 12 . 1 1 68 68 ASP H H 68 8.539 8.539 8.757 -0.218 19755 5807 1 12 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.403 0.199 19755 5808 1 12 . 1 1 69 69 LYS C C 69 176.282 176.282 174.288 1.994 19755 5809 1 12 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.836 0.981 19755 5810 1 12 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.133 1.430 19755 5811 1 12 . 1 1 70 70 GLY N N 70 110.325 110.325 105.884 4.441 19755 5812 1 12 . 1 1 70 70 GLY C C 70 169.572 169.572 171.316 -1.744 19755 5813 1 12 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.403 -0.037 19755 5814 1 12 . 1 1 70 70 GLY H H 70 6.977 6.977 7.065 -0.088 19755 5815 1 12 . 1 1 71 71 LEU N N 71 116.716 116.716 118.808 -2.092 19755 5816 1 12 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.091 -0.075 19755 5817 1 12 . 1 1 71 71 LEU C C 71 174.299 174.299 175.264 -0.965 19755 5818 1 12 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.398 -1.341 19755 5819 1 12 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.621 -0.729 19755 5820 1 12 . 1 1 71 71 LEU H H 71 8.032 8.032 8.540 -0.508 19755 5821 1 12 . 1 1 72 72 GLU N N 72 120.507 120.507 122.124 -1.617 19755 5822 1 12 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.085 -0.119 19755 5823 1 12 . 1 1 72 72 GLU C C 72 174.588 174.588 175.382 -0.794 19755 5824 1 12 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.807 -0.773 19755 5825 1 12 . 1 1 72 72 GLU CB C 72 33.392 33.392 32.077 1.315 19755 5826 1 12 . 1 1 72 72 GLU H H 72 8.739 8.739 8.542 0.197 19755 5827 1 12 . 1 1 73 73 ILE N N 73 127.226 127.226 122.185 5.041 19755 5828 1 12 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.572 -0.046 19755 5829 1 12 . 1 1 73 73 ILE C C 73 173.786 173.786 174.483 -0.697 19755 5830 1 12 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.798 0.630 19755 5831 1 12 . 1 1 73 73 ILE CB C 73 39.105 39.105 40.055 -0.950 19755 5832 1 12 . 1 1 73 73 ILE H H 73 8.755 8.755 8.664 0.091 19755 5833 1 12 . 1 1 74 74 ILE N N 74 126.107 126.107 128.440 -2.333 19755 5834 1 12 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.486 0.180 19755 5835 1 12 . 1 1 74 74 ILE C C 74 175.304 175.304 174.853 0.451 19755 5836 1 12 . 1 1 74 74 ILE CA C 74 60.808 60.808 60.009 0.799 19755 5837 1 12 . 1 1 74 74 ILE CB C 74 40.432 40.432 39.792 0.639 19755 5838 1 12 . 1 1 74 74 ILE H H 74 8.691 8.691 8.900 -0.209 19755 5839 1 12 . 1 1 75 75 VAL N N 75 128.967 128.967 124.862 4.105 19755 5840 1 12 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.173 -0.568 19755 5841 1 12 . 1 1 75 75 VAL C C 75 174.187 174.187 174.986 -0.799 19755 5842 1 12 . 1 1 75 75 VAL CA C 75 61.420 61.420 60.974 0.446 19755 5843 1 12 . 1 1 75 75 VAL CB C 75 33.645 33.645 34.024 -0.379 19755 5844 1 12 . 1 1 75 75 VAL H H 75 9.178 9.178 9.173 0.005 19755 5845 1 12 . 1 1 76 76 THR HA H 76 5.743 5.743 4.954 0.789 19755 5846 1 12 . 1 1 76 76 THR CA C 76 59.957 59.957 58.968 0.990 19755 5847 1 12 . 1 1 76 76 THR CB C 76 71.833 71.833 71.433 0.400 19755 5848 1 12 . 1 1 77 77 LYS N N 77 124.204 124.204 119.402 4.802 19755 5849 1 12 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.915 -0.327 19755 5850 1 12 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.505 1.246 19755 5851 1 12 . 1 1 77 77 LYS CB C 77 33.947 33.947 36.077 -2.130 19755 5852 1 12 . 1 1 77 77 LYS H H 77 8.688 8.688 8.286 0.402 19755 5853 1 12 . 1 1 78 78 ALA N N 78 125.102 125.102 121.874 3.228 19755 5854 1 12 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.021 -0.045 19755 5855 1 12 . 1 1 78 78 ALA C C 78 176.776 176.776 177.571 -0.795 19755 5856 1 12 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.480 -0.049 19755 5857 1 12 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.531 0.011 19755 5858 1 12 . 1 1 78 78 ALA H H 78 8.137 8.137 8.490 -0.353 19755 5859 1 12 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.229 -0.144 19755 5860 1 12 . 1 1 79 79 GLN CA C 79 55.540 55.540 54.848 0.692 19755 5861 1 12 . 1 1 79 79 GLN CB C 79 29.617 29.617 30.005 -0.388 19755 5862 1 12 . 1 1 80 80 LEU HA H 80 4.295 4.295 3.986 0.309 19755 5863 1 12 . 1 1 80 80 LEU CA C 80 55.034 55.034 55.595 -0.561 19755 5864 1 12 . 1 1 80 80 LEU CB C 80 42.320 42.320 40.677 1.643 19755 5865 1 12 . 1 1 81 81 SER N N 81 116.580 116.580 115.101 1.479 19755 5866 1 12 . 1 1 81 81 SER HA H 81 4.291 4.291 4.142 0.149 19755 5867 1 12 . 1 1 81 81 SER C C 81 174.770 174.770 175.955 -1.185 19755 5868 1 12 . 1 1 81 81 SER CA C 81 58.674 58.674 60.285 -1.611 19755 5869 1 12 . 1 1 81 81 SER CB C 81 63.931 63.931 63.011 0.919 19755 5870 1 12 . 1 1 81 81 SER H H 81 8.214 8.214 8.484 -0.270 19755 5871 1 12 . 1 1 82 82 LYS N N 82 122.968 122.968 122.462 0.506 19755 5872 1 12 . 1 1 82 82 LYS HA H 82 4.283 4.283 3.995 0.288 19755 5873 1 12 . 1 1 82 82 LYS C C 82 176.222 176.222 178.445 -2.223 19755 5874 1 12 . 1 1 82 82 LYS CA C 82 56.542 56.542 59.300 -2.759 19755 5875 1 12 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.190 0.752 19755 5876 1 12 . 1 1 82 82 LYS H H 82 8.255 8.255 8.156 0.099 19755 5877 1 12 . 1 1 83 83 ASP N N 83 120.305 120.305 117.576 2.729 19755 5878 1 12 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.522 0.024 19755 5879 1 12 . 1 1 83 83 ASP C C 83 176.527 176.527 176.841 -0.314 19755 5880 1 12 . 1 1 83 83 ASP CA C 83 54.864 54.864 55.692 -0.828 19755 5881 1 12 . 1 1 83 83 ASP CB C 83 41.156 41.156 40.696 0.460 19755 5882 1 12 . 1 1 83 83 ASP H H 83 8.158 8.158 8.102 0.056 19755 5883 1 12 . 1 1 84 84 LEU N N 84 121.499 121.499 117.431 4.068 19755 5884 1 12 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.463 -0.280 19755 5885 1 12 . 1 1 84 84 LEU C C 84 177.585 177.585 177.711 -0.126 19755 5886 1 12 . 1 1 84 84 LEU CA C 84 56.042 56.042 55.378 0.664 19755 5887 1 12 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.144 -0.765 19755 5888 1 12 . 1 1 84 84 LEU H H 84 7.955 7.955 7.552 0.403 19755 5889 1 12 . 1 1 85 85 ASP N N 85 119.668 119.668 120.692 -1.024 19755 5890 1 12 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.473 0.027 19755 5891 1 12 . 1 1 85 85 ASP C C 85 176.445 176.445 176.920 -0.475 19755 5892 1 12 . 1 1 85 85 ASP CA C 85 55.143 55.143 56.107 -0.964 19755 5893 1 12 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.544 -0.428 19755 5894 1 12 . 1 1 85 85 ASP H H 85 8.207 8.207 8.171 0.036 19755 5895 1 12 . 1 1 86 86 LYS N N 86 119.760 119.760 119.454 0.306 19755 5896 1 12 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.345 -0.092 19755 5897 1 12 . 1 1 86 86 LYS C C 86 176.336 176.336 174.590 1.746 19755 5898 1 12 . 1 1 86 86 LYS CA C 86 56.519 56.519 56.307 0.212 19755 5899 1 12 . 1 1 86 86 LYS CB C 86 33.072 33.072 33.341 -0.269 19755 5900 1 12 . 1 1 86 86 LYS H H 86 7.843 7.843 8.107 -0.264 19755 5901 1 12 . 1 1 87 87 LEU N N 87 122.086 122.086 119.918 2.168 19755 5902 1 12 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.570 -0.261 19755 5903 1 12 . 1 1 87 87 LEU C C 87 176.952 176.952 175.201 1.751 19755 5904 1 12 . 1 1 87 87 LEU CA C 87 55.369 55.369 54.495 0.874 19755 5905 1 12 . 1 1 87 87 LEU CB C 87 42.407 42.407 44.794 -2.386 19755 5906 1 12 . 1 1 87 87 LEU H H 87 8.008 8.008 7.970 0.038 19755 5907 1 12 . 1 1 88 88 VAL N N 88 122.409 122.409 120.482 1.927 19755 5908 1 12 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.697 -0.323 19755 5909 1 12 . 1 1 88 88 VAL C C 88 174.225 174.225 173.709 0.516 19755 5910 1 12 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.467 0.525 19755 5911 1 12 . 1 1 88 88 VAL CB C 88 32.946 32.946 31.504 1.442 19755 5912 1 12 . 1 1 88 88 VAL H H 88 7.919 7.919 8.289 -0.370 19755 5913 1 12 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.511 -0.141 19755 5914 1 12 . 1 1 89 89 PRO C C 89 176.035 176.035 176.861 -0.826 19755 5915 1 12 . 1 1 89 89 PRO CA C 89 63.592 63.592 62.933 0.659 19755 5916 1 12 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.165 0.053 19755 5917 1 13 . 1 1 2 2 GLU N N 2 123.952 123.952 120.823 3.129 19755 5918 1 13 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.875 -0.194 19755 5919 1 13 . 1 1 2 2 GLU C C 2 174.704 174.704 174.662 0.042 19755 5920 1 13 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.735 0.131 19755 5921 1 13 . 1 1 2 2 GLU CB C 2 32.406 32.406 33.305 -0.899 19755 5922 1 13 . 1 1 2 2 GLU H H 2 8.571 8.571 8.479 0.092 19755 5923 1 13 . 1 1 3 3 ILE N N 3 121.558 121.558 122.889 -1.331 19755 5924 1 13 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.728 -0.016 19755 5925 1 13 . 1 1 3 3 ILE C C 3 174.736 174.736 175.757 -1.021 19755 5926 1 13 . 1 1 3 3 ILE CA C 3 60.277 60.277 58.748 1.528 19755 5927 1 13 . 1 1 3 3 ILE CB C 3 40.861 40.861 40.926 -0.065 19755 5928 1 13 . 1 1 3 3 ILE H H 3 8.565 8.565 8.529 0.036 19755 5929 1 13 . 1 1 4 4 GLU N N 4 126.319 126.319 125.186 1.133 19755 5930 1 13 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.656 -0.095 19755 5931 1 13 . 1 1 4 4 GLU C C 4 174.708 174.708 174.391 0.317 19755 5932 1 13 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.686 0.542 19755 5933 1 13 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.858 -0.850 19755 5934 1 13 . 1 1 4 4 GLU H H 4 9.153 9.153 9.115 0.038 19755 5935 1 13 . 1 1 5 5 ARG N N 5 127.727 127.727 126.008 1.719 19755 5936 1 13 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.620 -0.060 19755 5937 1 13 . 1 1 5 5 ARG C C 5 175.807 175.807 175.929 -0.122 19755 5938 1 13 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.845 0.278 19755 5939 1 13 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.789 -0.136 19755 5940 1 13 . 1 1 5 5 ARG H H 5 9.002 9.002 8.786 0.216 19755 5941 1 13 . 1 1 6 6 ILE N N 6 129.149 129.149 127.928 1.221 19755 5942 1 13 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.943 -0.039 19755 5943 1 13 . 1 1 6 6 ILE C C 6 176.468 176.468 176.415 0.053 19755 5944 1 13 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.753 0.218 19755 5945 1 13 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.920 0.242 19755 5946 1 13 . 1 1 6 6 ILE H H 6 8.030 8.030 8.450 -0.420 19755 5947 1 13 . 1 1 7 7 ASN N N 7 112.808 112.808 115.304 -2.496 19755 5948 1 13 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.834 -0.275 19755 5949 1 13 . 1 1 7 7 ASN C C 7 175.254 175.254 174.953 0.301 19755 5950 1 13 . 1 1 7 7 ASN CA C 7 52.853 52.853 52.043 0.810 19755 5951 1 13 . 1 1 7 7 ASN CB C 7 38.275 38.275 38.661 -0.386 19755 5952 1 13 . 1 1 7 7 ASN H H 7 8.147 8.147 7.807 0.340 19755 5953 1 13 . 1 1 8 8 GLU N N 8 121.087 121.087 120.081 1.006 19755 5954 1 13 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.008 0.042 19755 5955 1 13 . 1 1 8 8 GLU C C 8 176.486 176.486 177.385 -0.899 19755 5956 1 13 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.848 0.954 19755 5957 1 13 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.383 0.069 19755 5958 1 13 . 1 1 8 8 GLU H H 8 8.770 8.770 8.938 -0.168 19755 5959 1 13 . 1 1 9 9 HIS N N 9 113.719 113.719 114.607 -0.888 19755 5960 1 13 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.705 0.260 19755 5961 1 13 . 1 1 9 9 HIS CA C 9 55.805 55.805 57.172 -1.367 19755 5962 1 13 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.148 0.836 19755 5963 1 13 . 1 1 9 9 HIS H H 9 7.921 7.921 8.408 -0.487 19755 5964 1 13 . 1 1 10 10 THR N N 10 116.218 116.218 117.009 -0.791 19755 5965 1 13 . 1 1 10 10 THR HA H 10 5.736 5.736 5.191 0.545 19755 5966 1 13 . 1 1 10 10 THR C C 10 173.396 173.396 173.090 0.306 19755 5967 1 13 . 1 1 10 10 THR CA C 10 62.820 62.820 62.306 0.514 19755 5968 1 13 . 1 1 10 10 THR CB C 10 71.465 71.465 71.047 0.418 19755 5969 1 13 . 1 1 10 10 THR H H 10 7.349 7.349 8.752 -1.403 19755 5970 1 13 . 1 1 11 11 VAL N N 11 124.880 124.880 120.548 4.332 19755 5971 1 13 . 1 1 11 11 VAL HA H 11 4.857 4.857 4.940 -0.083 19755 5972 1 13 . 1 1 11 11 VAL C C 11 172.156 172.156 173.630 -1.474 19755 5973 1 13 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.341 0.535 19755 5974 1 13 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.506 0.480 19755 5975 1 13 . 1 1 11 11 VAL H H 11 9.043 9.043 8.856 0.187 19755 5976 1 13 . 1 1 12 12 LYS N N 12 124.164 124.164 119.215 4.949 19755 5977 1 13 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.429 0.155 19755 5978 1 13 . 1 1 12 12 LYS C C 12 173.380 173.380 175.017 -1.637 19755 5979 1 13 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.603 -0.398 19755 5980 1 13 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.766 0.691 19755 5981 1 13 . 1 1 12 12 LYS H H 12 8.884 8.884 8.462 0.422 19755 5982 1 13 . 1 1 13 13 PHE N N 13 124.228 124.228 114.228 10.000 19755 5983 1 13 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.306 0.022 19755 5984 1 13 . 1 1 13 13 PHE C C 13 172.237 172.237 172.747 -0.510 19755 5985 1 13 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.280 -0.294 19755 5986 1 13 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.264 -0.348 19755 5987 1 13 . 1 1 13 13 PHE H H 13 8.989 8.989 8.902 0.087 19755 5988 1 13 . 1 1 14 14 TYR N N 14 121.263 121.263 120.712 0.551 19755 5989 1 13 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.467 -0.080 19755 5990 1 13 . 1 1 14 14 TYR C C 14 174.713 174.713 173.362 1.351 19755 5991 1 13 . 1 1 14 14 TYR CA C 14 55.953 55.953 56.100 -0.147 19755 5992 1 13 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.867 -1.359 19755 5993 1 13 . 1 1 14 14 TYR H H 14 8.670 8.670 9.195 -0.525 19755 5994 1 13 . 1 1 15 15 MET N N 15 124.869 124.869 125.970 -1.101 19755 5995 1 13 . 1 1 15 15 MET HA H 15 4.417 4.417 4.742 -0.326 19755 5996 1 13 . 1 1 15 15 MET C C 15 173.614 173.614 173.960 -0.346 19755 5997 1 13 . 1 1 15 15 MET CA C 15 54.305 54.305 53.569 0.736 19755 5998 1 13 . 1 1 15 15 MET CB C 15 37.439 37.439 35.663 1.776 19755 5999 1 13 . 1 1 15 15 MET H H 15 7.927 7.927 8.651 -0.724 19755 6000 1 13 . 1 1 16 16 SER N N 16 120.626 120.626 123.575 -2.949 19755 6001 1 13 . 1 1 16 16 SER HA H 16 4.396 4.396 4.315 0.081 19755 6002 1 13 . 1 1 16 16 SER C C 16 175.508 175.508 175.447 0.061 19755 6003 1 13 . 1 1 16 16 SER CA C 16 57.637 57.637 58.600 -0.963 19755 6004 1 13 . 1 1 16 16 SER CB C 16 65.033 65.033 63.896 1.137 19755 6005 1 13 . 1 1 16 16 SER H H 16 9.061 9.061 8.461 0.600 19755 6006 1 13 . 1 1 17 17 TYR N N 17 119.917 119.917 123.054 -3.137 19755 6007 1 13 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.287 0.073 19755 6008 1 13 . 1 1 17 17 TYR C C 17 178.684 178.684 178.195 0.489 19755 6009 1 13 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.127 1.829 19755 6010 1 13 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.544 -0.555 19755 6011 1 13 . 1 1 17 17 TYR H H 17 8.411 8.411 8.457 -0.046 19755 6012 1 13 . 1 1 18 18 GLY N N 18 107.011 107.011 106.049 0.962 19755 6013 1 13 . 1 1 18 18 GLY C C 18 175.454 175.454 175.966 -0.512 19755 6014 1 13 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.773 0.673 19755 6015 1 13 . 1 1 18 18 GLY H H 18 8.534 8.534 8.913 -0.379 19755 6016 1 13 . 1 1 19 19 ASP N N 19 122.947 122.947 122.910 0.037 19755 6017 1 13 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.512 -0.120 19755 6018 1 13 . 1 1 19 19 ASP C C 19 179.020 179.020 178.854 0.166 19755 6019 1 13 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.424 0.019 19755 6020 1 13 . 1 1 19 19 ASP CB C 19 40.914 40.914 40.911 0.003 19755 6021 1 13 . 1 1 19 19 ASP H H 19 7.788 7.788 7.676 0.112 19755 6022 1 13 . 1 1 20 20 ILE N N 20 119.114 119.114 121.195 -2.081 19755 6023 1 13 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.652 -0.124 19755 6024 1 13 . 1 1 20 20 ILE C C 20 177.939 177.939 177.529 0.410 19755 6025 1 13 . 1 1 20 20 ILE CA C 20 66.310 66.310 66.001 0.309 19755 6026 1 13 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.137 0.749 19755 6027 1 13 . 1 1 20 20 ILE H H 20 7.762 7.762 7.723 0.039 19755 6028 1 13 . 1 1 21 21 GLU N N 21 119.999 119.999 120.827 -0.828 19755 6029 1 13 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.274 0.308 19755 6030 1 13 . 1 1 21 21 GLU C C 21 181.888 181.888 179.438 2.450 19755 6031 1 13 . 1 1 21 21 GLU CA C 21 59.207 59.207 58.863 0.344 19755 6032 1 13 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.216 0.198 19755 6033 1 13 . 1 1 21 21 GLU H H 21 8.113 8.113 8.405 -0.292 19755 6034 1 13 . 1 1 22 22 ASP N N 22 122.667 122.667 120.462 2.205 19755 6035 1 13 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.518 -0.044 19755 6036 1 13 . 1 1 22 22 ASP C C 22 178.184 178.184 178.163 0.021 19755 6037 1 13 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.535 0.800 19755 6038 1 13 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.018 -0.151 19755 6039 1 13 . 1 1 22 22 ASP H H 22 8.699 8.699 8.150 0.549 19755 6040 1 13 . 1 1 23 23 ARG N N 23 116.862 116.862 117.469 -0.607 19755 6041 1 13 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.383 -0.039 19755 6042 1 13 . 1 1 23 23 ARG C C 23 176.101 176.101 177.064 -0.963 19755 6043 1 13 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.592 0.060 19755 6044 1 13 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.708 0.089 19755 6045 1 13 . 1 1 23 23 ARG H H 23 7.380 7.380 7.728 -0.348 19755 6046 1 13 . 1 1 24 24 GLY N N 24 106.318 106.318 105.895 0.423 19755 6047 1 13 . 1 1 24 24 GLY C C 24 174.117 174.117 174.667 -0.550 19755 6048 1 13 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.338 0.155 19755 6049 1 13 . 1 1 24 24 GLY H H 24 8.004 8.004 7.929 0.075 19755 6050 1 13 . 1 1 25 25 PHE N N 25 118.274 118.274 120.137 -1.863 19755 6051 1 13 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.644 -0.022 19755 6052 1 13 . 1 1 25 25 PHE C C 25 174.127 174.127 174.759 -0.632 19755 6053 1 13 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.196 -0.266 19755 6054 1 13 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.046 1.825 19755 6055 1 13 . 1 1 25 25 PHE H H 25 7.550 7.550 8.228 -0.678 19755 6056 1 13 . 1 1 26 26 ASP N N 26 121.320 121.320 118.198 3.122 19755 6057 1 13 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.957 -0.063 19755 6058 1 13 . 1 1 26 26 ASP C C 26 177.370 177.370 176.912 0.458 19755 6059 1 13 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.473 0.634 19755 6060 1 13 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.806 0.260 19755 6061 1 13 . 1 1 26 26 ASP H H 26 8.891 8.891 8.371 0.520 19755 6062 1 13 . 1 1 27 27 ARG N N 27 124.100 124.100 123.324 0.776 19755 6063 1 13 . 1 1 27 27 ARG HA H 27 3.842 3.842 4.059 -0.217 19755 6064 1 13 . 1 1 27 27 ARG C C 27 176.201 176.201 177.333 -1.132 19755 6065 1 13 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.480 0.377 19755 6066 1 13 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.047 -0.372 19755 6067 1 13 . 1 1 27 27 ARG H H 27 9.033 9.033 8.769 0.264 19755 6068 1 13 . 1 1 28 28 GLU N N 28 118.451 118.451 118.741 -0.290 19755 6069 1 13 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.447 -0.410 19755 6070 1 13 . 1 1 28 28 GLU C C 28 178.889 178.889 179.074 -0.185 19755 6071 1 13 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.252 0.003 19755 6072 1 13 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.261 0.189 19755 6073 1 13 . 1 1 28 28 GLU H H 28 8.362 8.362 8.494 -0.132 19755 6074 1 13 . 1 1 29 29 GLU N N 29 118.302 118.302 120.553 -2.251 19755 6075 1 13 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.206 -0.121 19755 6076 1 13 . 1 1 29 29 GLU C C 29 178.137 178.137 178.904 -0.767 19755 6077 1 13 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.047 -0.087 19755 6078 1 13 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.023 1.429 19755 6079 1 13 . 1 1 29 29 GLU H H 29 7.821 7.821 8.482 -0.661 19755 6080 1 13 . 1 1 30 30 ILE N N 30 115.456 115.456 119.251 -3.795 19755 6081 1 13 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.578 0.049 19755 6082 1 13 . 1 1 30 30 ILE C C 30 176.229 176.229 178.545 -2.316 19755 6083 1 13 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.685 -3.622 19755 6084 1 13 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.614 -0.674 19755 6085 1 13 . 1 1 30 30 ILE H H 30 7.363 7.363 8.416 -1.053 19755 6086 1 13 . 1 1 31 31 TRP N N 31 116.714 116.714 119.052 -2.338 19755 6087 1 13 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.347 -0.197 19755 6088 1 13 . 1 1 31 31 TRP C C 31 178.092 178.092 178.454 -0.362 19755 6089 1 13 . 1 1 31 31 TRP CA C 31 59.618 59.618 59.046 0.572 19755 6090 1 13 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.172 0.457 19755 6091 1 13 . 1 1 31 31 TRP H H 31 7.410 7.410 7.123 0.287 19755 6092 1 13 . 1 1 32 32 TYR N N 32 112.769 112.769 113.324 -0.555 19755 6093 1 13 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.558 0.208 19755 6094 1 13 . 1 1 32 32 TYR C C 32 175.767 175.767 176.249 -0.482 19755 6095 1 13 . 1 1 32 32 TYR CA C 32 58.632 58.632 58.741 -0.109 19755 6096 1 13 . 1 1 32 32 TYR CB C 32 40.222 40.222 37.986 2.236 19755 6097 1 13 . 1 1 32 32 TYR H H 32 7.577 7.577 7.449 0.128 19755 6098 1 13 . 1 1 33 33 ASN N N 33 120.521 120.521 119.348 1.173 19755 6099 1 13 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.049 -0.001 19755 6100 1 13 . 1 1 33 33 ASN C C 33 174.851 174.851 174.595 0.256 19755 6101 1 13 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.784 -0.464 19755 6102 1 13 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.028 0.185 19755 6103 1 13 . 1 1 33 33 ASN H H 33 8.364 8.364 7.927 0.437 19755 6104 1 13 . 1 1 34 34 ARG N N 34 126.163 126.163 125.353 0.810 19755 6105 1 13 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.922 0.263 19755 6106 1 13 . 1 1 34 34 ARG C C 34 178.509 178.509 177.614 0.895 19755 6107 1 13 . 1 1 34 34 ARG CA C 34 58.504 58.504 60.499 -1.995 19755 6108 1 13 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.266 -0.773 19755 6109 1 13 . 1 1 34 34 ARG H H 34 8.830 8.830 8.937 -0.107 19755 6110 1 13 . 1 1 35 35 GLU N N 35 118.994 118.994 116.402 2.592 19755 6111 1 13 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.178 -0.018 19755 6112 1 13 . 1 1 35 35 GLU C C 35 179.839 179.839 178.407 1.432 19755 6113 1 13 . 1 1 35 35 GLU CA C 35 60.191 60.191 59.022 1.169 19755 6114 1 13 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.693 0.740 19755 6115 1 13 . 1 1 35 35 GLU H H 35 8.380 8.380 8.835 -0.455 19755 6116 1 13 . 1 1 36 36 ARG N N 36 119.197 119.197 118.909 0.288 19755 6117 1 13 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.456 -0.056 19755 6118 1 13 . 1 1 36 36 ARG C C 36 178.217 178.217 178.310 -0.093 19755 6119 1 13 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.371 1.023 19755 6120 1 13 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.422 0.113 19755 6121 1 13 . 1 1 36 36 ARG H H 36 7.686 7.686 8.051 -0.365 19755 6122 1 13 . 1 1 37 37 SER N N 37 114.607 114.607 116.064 -1.457 19755 6123 1 13 . 1 1 37 37 SER HA H 37 3.899 3.899 3.858 0.041 19755 6124 1 13 . 1 1 37 37 SER C C 37 178.298 178.298 175.626 2.672 19755 6125 1 13 . 1 1 37 37 SER CA C 37 62.455 62.455 61.530 0.925 19755 6126 1 13 . 1 1 37 37 SER CB C 37 62.542 62.542 63.080 -0.537 19755 6127 1 13 . 1 1 37 37 SER H H 37 8.282 8.282 8.014 0.268 19755 6128 1 13 . 1 1 38 38 GLU N N 38 121.063 121.063 121.074 -0.011 19755 6129 1 13 . 1 1 38 38 GLU HA H 38 3.756 3.756 3.581 0.175 19755 6130 1 13 . 1 1 38 38 GLU C C 38 177.182 177.182 178.272 -1.090 19755 6131 1 13 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.447 0.851 19755 6132 1 13 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.523 -0.249 19755 6133 1 13 . 1 1 38 38 GLU H H 38 7.849 7.849 7.638 0.211 19755 6134 1 13 . 1 1 39 39 GLU N N 39 119.119 119.119 118.465 0.654 19755 6135 1 13 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.143 0.086 19755 6136 1 13 . 1 1 39 39 GLU C C 39 179.781 179.781 178.817 0.964 19755 6137 1 13 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.511 1.661 19755 6138 1 13 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.936 1.123 19755 6139 1 13 . 1 1 39 39 GLU H H 39 7.686 7.686 7.631 0.055 19755 6140 1 13 . 1 1 40 40 LEU N N 40 120.164 120.164 120.488 -0.324 19755 6141 1 13 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.732 -0.040 19755 6142 1 13 . 1 1 40 40 LEU C C 40 177.155 177.155 178.341 -1.186 19755 6143 1 13 . 1 1 40 40 LEU CA C 40 58.264 58.264 57.573 0.691 19755 6144 1 13 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.678 -1.229 19755 6145 1 13 . 1 1 40 40 LEU H H 40 7.739 7.739 7.406 0.333 19755 6146 1 13 . 1 1 41 41 PHE N N 41 118.207 118.207 116.803 1.404 19755 6147 1 13 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.189 -0.384 19755 6148 1 13 . 1 1 41 41 PHE C C 41 176.387 176.387 177.636 -1.249 19755 6149 1 13 . 1 1 41 41 PHE CA C 41 61.364 61.364 59.478 1.886 19755 6150 1 13 . 1 1 41 41 PHE CB C 41 38.069 38.069 37.284 0.785 19755 6151 1 13 . 1 1 41 41 PHE H H 41 7.825 7.825 6.634 1.191 19755 6152 1 13 . 1 1 42 42 TRP N N 42 117.448 117.448 119.603 -2.155 19755 6153 1 13 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.109 0.015 19755 6154 1 13 . 1 1 42 42 TRP C C 42 179.071 179.071 178.453 0.618 19755 6155 1 13 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.383 -1.304 19755 6156 1 13 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.193 0.261 19755 6157 1 13 . 1 1 42 42 TRP H H 42 8.266 8.266 8.665 -0.399 19755 6158 1 13 . 1 1 43 43 GLU N N 43 120.573 120.573 118.943 1.630 19755 6159 1 13 . 1 1 43 43 GLU HA H 43 4.159 4.159 3.960 0.199 19755 6160 1 13 . 1 1 43 43 GLU C C 43 179.556 179.556 178.662 0.894 19755 6161 1 13 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.891 0.290 19755 6162 1 13 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.481 0.021 19755 6163 1 13 . 1 1 43 43 GLU H H 43 7.918 7.918 7.774 0.144 19755 6164 1 13 . 1 1 44 44 VAL N N 44 119.502 119.502 115.974 3.528 19755 6165 1 13 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.728 -0.283 19755 6166 1 13 . 1 1 44 44 VAL C C 44 178.356 178.356 177.505 0.851 19755 6167 1 13 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.330 1.060 19755 6168 1 13 . 1 1 44 44 VAL CB C 44 31.220 31.220 30.762 0.457 19755 6169 1 13 . 1 1 44 44 VAL H H 44 7.947 7.947 7.169 0.778 19755 6170 1 13 . 1 1 45 45 MET N N 45 117.691 117.691 118.851 -1.160 19755 6171 1 13 . 1 1 45 45 MET HA H 45 4.118 4.118 4.177 -0.059 19755 6172 1 13 . 1 1 45 45 MET C C 45 179.207 179.207 179.113 0.094 19755 6173 1 13 . 1 1 45 45 MET CA C 45 56.677 56.677 57.221 -0.544 19755 6174 1 13 . 1 1 45 45 MET CB C 45 31.094 31.094 30.867 0.227 19755 6175 1 13 . 1 1 45 45 MET H H 45 7.998 7.998 8.249 -0.251 19755 6176 1 13 . 1 1 46 46 ASP N N 46 119.109 119.109 120.742 -1.633 19755 6177 1 13 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.215 0.326 19755 6178 1 13 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.224 -0.282 19755 6179 1 13 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.734 0.694 19755 6180 1 13 . 1 1 46 46 ASP H H 46 7.773 7.773 8.309 -0.536 19755 6181 1 13 . 1 1 47 47 GLU N N 47 118.018 118.018 119.548 -1.530 19755 6182 1 13 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.142 0.026 19755 6183 1 13 . 1 1 47 47 GLU C C 47 177.957 177.957 177.603 0.354 19755 6184 1 13 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.628 -0.651 19755 6185 1 13 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.716 0.687 19755 6186 1 13 . 1 1 47 47 GLU H H 47 7.608 7.608 7.966 -0.358 19755 6187 1 13 . 1 1 48 48 VAL N N 48 115.277 115.277 111.085 4.192 19755 6188 1 13 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.501 -0.396 19755 6189 1 13 . 1 1 48 48 VAL CA C 48 62.377 62.377 61.913 0.463 19755 6190 1 13 . 1 1 48 48 VAL CB C 48 33.866 33.866 31.853 2.013 19755 6191 1 13 . 1 1 48 48 VAL H H 48 7.508 7.508 7.660 -0.152 19755 6192 1 13 . 1 1 49 49 HIS N N 49 121.222 121.222 122.756 -1.534 19755 6193 1 13 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.239 0.372 19755 6194 1 13 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.539 -2.539 19755 6195 1 13 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.392 -0.863 19755 6196 1 13 . 1 1 49 49 HIS H H 49 8.099 8.099 7.580 0.519 19755 6197 1 13 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.325 -0.103 19755 6198 1 13 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.898 -1.269 19755 6199 1 13 . 1 1 50 50 GLU CB C 50 30.423 30.423 28.922 1.502 19755 6200 1 13 . 1 1 51 51 GLU N N 51 119.589 119.589 115.254 4.335 19755 6201 1 13 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.390 -0.156 19755 6202 1 13 . 1 1 51 51 GLU C C 51 176.279 176.279 176.030 0.249 19755 6203 1 13 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.260 -0.713 19755 6204 1 13 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.008 0.573 19755 6205 1 13 . 1 1 51 51 GLU H H 51 8.121 8.121 7.995 0.126 19755 6206 1 13 . 1 1 52 52 GLU N N 52 122.410 122.410 116.354 6.056 19755 6207 1 13 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.085 0.225 19755 6208 1 13 . 1 1 52 52 GLU C C 52 176.127 176.127 176.980 -0.853 19755 6209 1 13 . 1 1 52 52 GLU CA C 52 56.508 56.508 56.304 0.204 19755 6210 1 13 . 1 1 52 52 GLU CB C 52 30.565 30.565 31.468 -0.903 19755 6211 1 13 . 1 1 52 52 GLU H H 52 8.412 8.412 7.655 0.757 19755 6212 1 13 . 1 1 53 53 GLU N N 53 121.407 121.407 121.047 0.360 19755 6213 1 13 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.784 0.510 19755 6214 1 13 . 1 1 53 53 GLU C C 53 176.242 176.242 177.855 -1.613 19755 6215 1 13 . 1 1 53 53 GLU CA C 53 56.607 56.607 59.222 -2.615 19755 6216 1 13 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.874 1.565 19755 6217 1 13 . 1 1 53 53 GLU H H 53 8.361 8.361 8.081 0.280 19755 6218 1 13 . 1 1 54 54 PHE N N 54 121.128 121.128 113.208 7.920 19755 6219 1 13 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.782 -0.188 19755 6220 1 13 . 1 1 54 54 PHE C C 54 176.021 176.021 174.787 1.234 19755 6221 1 13 . 1 1 54 54 PHE CA C 54 57.554 57.554 56.548 1.006 19755 6222 1 13 . 1 1 54 54 PHE CB C 54 40.192 40.192 38.352 1.840 19755 6223 1 13 . 1 1 54 54 PHE H H 54 8.147 8.147 7.134 1.013 19755 6224 1 13 . 1 1 55 55 ALA N N 55 126.124 126.124 122.523 3.601 19755 6225 1 13 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.626 -0.205 19755 6226 1 13 . 1 1 55 55 ALA C C 55 177.391 177.391 178.110 -0.719 19755 6227 1 13 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.688 -0.315 19755 6228 1 13 . 1 1 55 55 ALA CB C 55 19.512 19.512 20.067 -0.555 19755 6229 1 13 . 1 1 55 55 ALA H H 55 8.124 8.124 7.982 0.142 19755 6230 1 13 . 1 1 56 56 VAL N N 56 119.019 119.019 117.628 1.391 19755 6231 1 13 . 1 1 56 56 VAL HA H 56 4.133 4.133 3.852 0.281 19755 6232 1 13 . 1 1 56 56 VAL C C 56 176.128 176.128 176.698 -0.570 19755 6233 1 13 . 1 1 56 56 VAL CA C 56 62.306 62.306 63.644 -1.338 19755 6234 1 13 . 1 1 56 56 VAL CB C 56 33.274 33.274 31.247 2.027 19755 6235 1 13 . 1 1 56 56 VAL H H 56 7.958 7.958 7.946 0.012 19755 6236 1 13 . 1 1 57 57 GLU N N 57 124.588 124.588 118.661 5.927 19755 6237 1 13 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.159 0.336 19755 6238 1 13 . 1 1 57 57 GLU C C 57 176.082 176.082 177.115 -1.033 19755 6239 1 13 . 1 1 57 57 GLU CA C 57 56.056 56.056 57.349 -1.293 19755 6240 1 13 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.185 2.118 19755 6241 1 13 . 1 1 57 57 GLU H H 57 8.413 8.413 8.257 0.156 19755 6242 1 13 . 1 1 58 58 GLY N N 58 110.794 110.794 109.888 0.906 19755 6243 1 13 . 1 1 58 58 GLY C C 58 170.660 170.660 172.702 -2.042 19755 6244 1 13 . 1 1 58 58 GLY CA C 58 44.857 44.857 43.311 1.546 19755 6245 1 13 . 1 1 58 58 GLY H H 58 8.040 8.040 7.801 0.239 19755 6246 1 13 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.401 0.030 19755 6247 1 13 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.701 0.387 19755 6248 1 13 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.683 -0.209 19755 6249 1 13 . 1 1 60 60 LEU N N 60 120.609 120.609 119.637 0.972 19755 6250 1 13 . 1 1 60 60 LEU C C 60 176.392 176.392 175.168 1.224 19755 6251 1 13 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.102 -0.178 19755 6252 1 13 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.159 -0.121 19755 6253 1 13 . 1 1 60 60 LEU H H 60 8.367 8.367 7.950 0.417 19755 6254 1 13 . 1 1 61 61 TRP N N 61 124.050 124.050 123.636 0.414 19755 6255 1 13 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.786 0.175 19755 6256 1 13 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.907 -0.774 19755 6257 1 13 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.210 -2.344 19755 6258 1 13 . 1 1 61 61 TRP H H 61 9.101 9.101 8.204 0.897 19755 6259 1 13 . 1 1 62 62 ILE N N 62 121.315 121.315 121.367 -0.052 19755 6260 1 13 . 1 1 62 62 ILE C C 62 174.576 174.576 174.632 -0.056 19755 6261 1 13 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.304 1.252 19755 6262 1 13 . 1 1 62 62 ILE CB C 62 40.639 40.639 40.825 -0.186 19755 6263 1 13 . 1 1 62 62 ILE H H 62 7.863 7.863 8.431 -0.568 19755 6264 1 13 . 1 1 63 63 GLN N N 63 127.300 127.300 125.412 1.888 19755 6265 1 13 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.789 -0.255 19755 6266 1 13 . 1 1 63 63 GLN C C 63 173.768 173.768 173.418 0.350 19755 6267 1 13 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.838 -0.429 19755 6268 1 13 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.349 -3.040 19755 6269 1 13 . 1 1 63 63 GLN H H 63 8.881 8.881 9.053 -0.172 19755 6270 1 13 . 1 1 64 64 VAL N N 64 123.414 123.414 120.486 2.928 19755 6271 1 13 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.891 -0.214 19755 6272 1 13 . 1 1 64 64 VAL C C 64 174.737 174.737 173.969 0.768 19755 6273 1 13 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.121 0.844 19755 6274 1 13 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.499 -1.079 19755 6275 1 13 . 1 1 64 64 VAL H H 64 8.330 8.330 8.332 -0.002 19755 6276 1 13 . 1 1 65 65 GLN N N 65 125.152 125.152 123.140 2.012 19755 6277 1 13 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.673 0.078 19755 6278 1 13 . 1 1 65 65 GLN C C 65 174.043 174.043 174.110 -0.067 19755 6279 1 13 . 1 1 65 65 GLN CA C 65 54.421 54.421 54.130 0.291 19755 6280 1 13 . 1 1 65 65 GLN CB C 65 31.956 31.956 33.112 -1.156 19755 6281 1 13 . 1 1 65 65 GLN H H 65 8.938 8.938 8.826 0.112 19755 6282 1 13 . 1 1 66 66 ALA N N 66 127.534 127.534 125.356 2.178 19755 6283 1 13 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.748 -0.112 19755 6284 1 13 . 1 1 66 66 ALA C C 66 176.740 176.740 176.082 0.658 19755 6285 1 13 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.164 1.637 19755 6286 1 13 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.062 -0.716 19755 6287 1 13 . 1 1 66 66 ALA H H 66 8.808 8.808 8.597 0.211 19755 6288 1 13 . 1 1 67 67 LEU N N 67 124.609 124.609 123.550 1.059 19755 6289 1 13 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.759 0.026 19755 6290 1 13 . 1 1 67 67 LEU C C 67 177.190 177.190 178.349 -1.159 19755 6291 1 13 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.769 -0.184 19755 6292 1 13 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.236 -0.390 19755 6293 1 13 . 1 1 67 67 LEU H H 67 8.541 8.541 8.807 -0.266 19755 6294 1 13 . 1 1 68 68 ASP N N 68 120.713 120.713 120.432 0.281 19755 6295 1 13 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.489 -0.059 19755 6296 1 13 . 1 1 68 68 ASP C C 68 177.319 177.319 176.797 0.522 19755 6297 1 13 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.678 1.412 19755 6298 1 13 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.134 -0.219 19755 6299 1 13 . 1 1 68 68 ASP H H 68 8.539 8.539 8.757 -0.218 19755 6300 1 13 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.352 0.250 19755 6301 1 13 . 1 1 69 69 LYS C C 69 176.282 176.282 174.319 1.963 19755 6302 1 13 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.836 0.981 19755 6303 1 13 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.386 1.177 19755 6304 1 13 . 1 1 70 70 GLY N N 70 110.325 110.325 105.881 4.444 19755 6305 1 13 . 1 1 70 70 GLY C C 70 169.572 169.572 171.411 -1.839 19755 6306 1 13 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.450 -0.085 19755 6307 1 13 . 1 1 70 70 GLY H H 70 6.977 6.977 7.048 -0.071 19755 6308 1 13 . 1 1 71 71 LEU N N 71 116.716 116.716 118.904 -2.188 19755 6309 1 13 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.092 -0.076 19755 6310 1 13 . 1 1 71 71 LEU C C 71 174.299 174.299 175.290 -0.991 19755 6311 1 13 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.358 -1.301 19755 6312 1 13 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.946 -1.054 19755 6313 1 13 . 1 1 71 71 LEU H H 71 8.032 8.032 8.533 -0.501 19755 6314 1 13 . 1 1 72 72 GLU N N 72 120.507 120.507 121.780 -1.273 19755 6315 1 13 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.007 -0.041 19755 6316 1 13 . 1 1 72 72 GLU C C 72 174.588 174.588 175.570 -0.982 19755 6317 1 13 . 1 1 72 72 GLU CA C 72 55.034 55.034 56.179 -1.145 19755 6318 1 13 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.649 1.743 19755 6319 1 13 . 1 1 72 72 GLU H H 72 8.739 8.739 8.473 0.266 19755 6320 1 13 . 1 1 73 73 ILE N N 73 127.226 127.226 122.982 4.244 19755 6321 1 13 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.473 0.053 19755 6322 1 13 . 1 1 73 73 ILE C C 73 173.786 173.786 174.282 -0.496 19755 6323 1 13 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.412 1.016 19755 6324 1 13 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.885 -0.780 19755 6325 1 13 . 1 1 73 73 ILE H H 73 8.755 8.755 8.708 0.047 19755 6326 1 13 . 1 1 74 74 ILE N N 74 126.107 126.107 127.452 -1.345 19755 6327 1 13 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.617 0.049 19755 6328 1 13 . 1 1 74 74 ILE C C 74 175.304 175.304 174.622 0.682 19755 6329 1 13 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.306 1.502 19755 6330 1 13 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.413 0.019 19755 6331 1 13 . 1 1 74 74 ILE H H 74 8.691 8.691 8.941 -0.250 19755 6332 1 13 . 1 1 75 75 VAL N N 75 128.967 128.967 121.953 7.014 19755 6333 1 13 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.220 -0.615 19755 6334 1 13 . 1 1 75 75 VAL C C 75 174.187 174.187 174.579 -0.392 19755 6335 1 13 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.670 1.750 19755 6336 1 13 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.690 -2.045 19755 6337 1 13 . 1 1 75 75 VAL H H 75 9.178 9.178 9.152 0.026 19755 6338 1 13 . 1 1 76 76 THR HA H 76 5.743 5.743 5.117 0.626 19755 6339 1 13 . 1 1 76 76 THR CA C 76 59.957 59.957 59.612 0.345 19755 6340 1 13 . 1 1 76 76 THR CB C 76 71.833 71.833 72.310 -0.477 19755 6341 1 13 . 1 1 77 77 LYS N N 77 124.204 124.204 119.659 4.545 19755 6342 1 13 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.924 -0.336 19755 6343 1 13 . 1 1 77 77 LYS CA C 77 55.751 55.751 55.353 0.398 19755 6344 1 13 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.870 -1.923 19755 6345 1 13 . 1 1 77 77 LYS H H 77 8.688 8.688 8.605 0.083 19755 6346 1 13 . 1 1 78 78 ALA N N 78 125.102 125.102 124.733 0.369 19755 6347 1 13 . 1 1 78 78 ALA HA H 78 3.976 3.976 3.813 0.163 19755 6348 1 13 . 1 1 78 78 ALA C C 78 176.776 176.776 178.463 -1.687 19755 6349 1 13 . 1 1 78 78 ALA CA C 78 52.431 52.431 54.823 -2.392 19755 6350 1 13 . 1 1 78 78 ALA CB C 78 19.542 19.542 18.881 0.661 19755 6351 1 13 . 1 1 78 78 ALA H H 78 8.137 8.137 9.074 -0.937 19755 6352 1 13 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.048 0.037 19755 6353 1 13 . 1 1 79 79 GLN CA C 79 55.540 55.540 56.959 -1.419 19755 6354 1 13 . 1 1 79 79 GLN CB C 79 29.617 29.617 28.637 0.980 19755 6355 1 13 . 1 1 80 80 LEU HA H 80 4.295 4.295 3.809 0.486 19755 6356 1 13 . 1 1 80 80 LEU CA C 80 55.034 55.034 55.134 -0.100 19755 6357 1 13 . 1 1 80 80 LEU CB C 80 42.320 42.320 40.511 1.809 19755 6358 1 13 . 1 1 81 81 SER N N 81 116.580 116.580 109.067 7.513 19755 6359 1 13 . 1 1 81 81 SER HA H 81 4.291 4.291 3.939 0.352 19755 6360 1 13 . 1 1 81 81 SER C C 81 174.770 174.770 175.354 -0.584 19755 6361 1 13 . 1 1 81 81 SER CA C 81 58.674 58.674 59.486 -0.812 19755 6362 1 13 . 1 1 81 81 SER CB C 81 63.931 63.931 62.389 1.542 19755 6363 1 13 . 1 1 81 81 SER H H 81 8.214 8.214 6.845 1.369 19755 6364 1 13 . 1 1 82 82 LYS N N 82 122.968 122.968 120.256 2.712 19755 6365 1 13 . 1 1 82 82 LYS HA H 82 4.283 4.283 3.910 0.373 19755 6366 1 13 . 1 1 82 82 LYS C C 82 176.222 176.222 177.352 -1.130 19755 6367 1 13 . 1 1 82 82 LYS CA C 82 56.542 56.542 60.245 -3.703 19755 6368 1 13 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.314 0.627 19755 6369 1 13 . 1 1 82 82 LYS H H 82 8.255 8.255 7.985 0.270 19755 6370 1 13 . 1 1 83 83 ASP N N 83 120.305 120.305 116.365 3.940 19755 6371 1 13 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.601 -0.055 19755 6372 1 13 . 1 1 83 83 ASP C C 83 176.527 176.527 175.916 0.611 19755 6373 1 13 . 1 1 83 83 ASP CA C 83 54.864 54.864 54.979 -0.115 19755 6374 1 13 . 1 1 83 83 ASP CB C 83 41.156 41.156 39.674 1.482 19755 6375 1 13 . 1 1 83 83 ASP H H 83 8.158 8.158 8.169 -0.011 19755 6376 1 13 . 1 1 84 84 LEU N N 84 121.499 121.499 118.472 3.027 19755 6377 1 13 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.452 -0.269 19755 6378 1 13 . 1 1 84 84 LEU C C 84 177.585 177.585 177.135 0.450 19755 6379 1 13 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.042 -0.000 19755 6380 1 13 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.734 -1.355 19755 6381 1 13 . 1 1 84 84 LEU H H 84 7.955 7.955 7.585 0.370 19755 6382 1 13 . 1 1 85 85 ASP N N 85 119.668 119.668 120.267 -0.599 19755 6383 1 13 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.392 0.108 19755 6384 1 13 . 1 1 85 85 ASP C C 85 176.445 176.445 177.215 -0.770 19755 6385 1 13 . 1 1 85 85 ASP CA C 85 55.143 55.143 56.498 -1.355 19755 6386 1 13 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.480 -0.364 19755 6387 1 13 . 1 1 85 85 ASP H H 85 8.207 8.207 8.333 -0.126 19755 6388 1 13 . 1 1 86 86 LYS N N 86 119.760 119.760 119.852 -0.092 19755 6389 1 13 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.285 -0.032 19755 6390 1 13 . 1 1 86 86 LYS C C 86 176.336 176.336 176.207 0.129 19755 6391 1 13 . 1 1 86 86 LYS CA C 86 56.519 56.519 55.419 1.100 19755 6392 1 13 . 1 1 86 86 LYS CB C 86 33.072 33.072 32.527 0.545 19755 6393 1 13 . 1 1 86 86 LYS H H 86 7.843 7.843 8.169 -0.326 19755 6394 1 13 . 1 1 87 87 LEU N N 87 122.086 122.086 122.593 -0.507 19755 6395 1 13 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.226 0.083 19755 6396 1 13 . 1 1 87 87 LEU C C 87 176.952 176.952 177.555 -0.603 19755 6397 1 13 . 1 1 87 87 LEU CA C 87 55.369 55.369 55.506 -0.137 19755 6398 1 13 . 1 1 87 87 LEU CB C 87 42.407 42.407 42.698 -0.291 19755 6399 1 13 . 1 1 87 87 LEU H H 87 8.008 8.008 8.358 -0.350 19755 6400 1 13 . 1 1 88 88 VAL N N 88 122.409 122.409 117.932 4.477 19755 6401 1 13 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.524 -0.150 19755 6402 1 13 . 1 1 88 88 VAL C C 88 174.225 174.225 174.349 -0.124 19755 6403 1 13 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.063 0.929 19755 6404 1 13 . 1 1 88 88 VAL CB C 88 32.946 32.946 32.882 0.064 19755 6405 1 13 . 1 1 88 88 VAL H H 88 7.919 7.919 7.949 -0.030 19755 6406 1 13 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.680 -0.310 19755 6407 1 13 . 1 1 89 89 PRO C C 89 176.035 176.035 176.815 -0.780 19755 6408 1 13 . 1 1 89 89 PRO CA C 89 63.592 63.592 62.650 0.942 19755 6409 1 13 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.342 -0.124 19755 6410 1 14 . 1 1 2 2 GLU N N 2 123.952 123.952 121.106 2.846 19755 6411 1 14 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.873 -0.192 19755 6412 1 14 . 1 1 2 2 GLU C C 2 174.704 174.704 174.689 0.015 19755 6413 1 14 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.611 0.255 19755 6414 1 14 . 1 1 2 2 GLU CB C 2 32.406 32.406 32.889 -0.483 19755 6415 1 14 . 1 1 2 2 GLU H H 2 8.571 8.571 8.485 0.086 19755 6416 1 14 . 1 1 3 3 ILE N N 3 121.558 121.558 123.248 -1.690 19755 6417 1 14 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.706 0.006 19755 6418 1 14 . 1 1 3 3 ILE C C 3 174.736 174.736 175.814 -1.078 19755 6419 1 14 . 1 1 3 3 ILE CA C 3 60.277 60.277 58.775 1.502 19755 6420 1 14 . 1 1 3 3 ILE CB C 3 40.861 40.861 40.780 0.081 19755 6421 1 14 . 1 1 3 3 ILE H H 3 8.565 8.565 8.556 0.009 19755 6422 1 14 . 1 1 4 4 GLU N N 4 126.319 126.319 125.699 0.620 19755 6423 1 14 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.646 -0.085 19755 6424 1 14 . 1 1 4 4 GLU C C 4 174.708 174.708 174.410 0.298 19755 6425 1 14 . 1 1 4 4 GLU CA C 4 55.228 55.228 55.086 0.142 19755 6426 1 14 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.848 -0.839 19755 6427 1 14 . 1 1 4 4 GLU H H 4 9.153 9.153 9.204 -0.051 19755 6428 1 14 . 1 1 5 5 ARG N N 5 127.727 127.727 125.345 2.382 19755 6429 1 14 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.688 -0.128 19755 6430 1 14 . 1 1 5 5 ARG C C 5 175.807 175.807 175.660 0.147 19755 6431 1 14 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.485 0.638 19755 6432 1 14 . 1 1 5 5 ARG CB C 5 29.653 29.653 30.508 -0.855 19755 6433 1 14 . 1 1 5 5 ARG H H 5 9.002 9.002 8.805 0.197 19755 6434 1 14 . 1 1 6 6 ILE N N 6 129.149 129.149 126.441 2.708 19755 6435 1 14 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.945 -0.041 19755 6436 1 14 . 1 1 6 6 ILE C C 6 176.468 176.468 176.523 -0.055 19755 6437 1 14 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.564 0.407 19755 6438 1 14 . 1 1 6 6 ILE CB C 6 38.162 38.162 38.198 -0.036 19755 6439 1 14 . 1 1 6 6 ILE H H 6 8.030 8.030 8.385 -0.355 19755 6440 1 14 . 1 1 7 7 ASN N N 7 112.808 112.808 116.515 -3.707 19755 6441 1 14 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.759 -0.200 19755 6442 1 14 . 1 1 7 7 ASN C C 7 175.254 175.254 174.386 0.868 19755 6443 1 14 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.165 1.688 19755 6444 1 14 . 1 1 7 7 ASN CB C 7 38.275 38.275 38.947 -0.672 19755 6445 1 14 . 1 1 7 7 ASN H H 7 8.147 8.147 7.864 0.283 19755 6446 1 14 . 1 1 8 8 GLU N N 8 121.087 121.087 118.938 2.149 19755 6447 1 14 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.023 0.027 19755 6448 1 14 . 1 1 8 8 GLU C C 8 176.486 176.486 176.990 -0.504 19755 6449 1 14 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.488 1.314 19755 6450 1 14 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.439 0.013 19755 6451 1 14 . 1 1 8 8 GLU H H 8 8.770 8.770 8.576 0.194 19755 6452 1 14 . 1 1 9 9 HIS N N 9 113.719 113.719 115.913 -2.194 19755 6453 1 14 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.806 0.159 19755 6454 1 14 . 1 1 9 9 HIS CA C 9 55.805 55.805 57.085 -1.280 19755 6455 1 14 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.421 0.563 19755 6456 1 14 . 1 1 9 9 HIS H H 9 7.921 7.921 8.462 -0.541 19755 6457 1 14 . 1 1 10 10 THR N N 10 116.218 116.218 118.730 -2.512 19755 6458 1 14 . 1 1 10 10 THR HA H 10 5.736 5.736 5.015 0.721 19755 6459 1 14 . 1 1 10 10 THR C C 10 173.396 173.396 173.841 -0.445 19755 6460 1 14 . 1 1 10 10 THR CA C 10 62.820 62.820 64.301 -1.481 19755 6461 1 14 . 1 1 10 10 THR CB C 10 71.465 71.465 69.538 1.927 19755 6462 1 14 . 1 1 10 10 THR H H 10 7.349 7.349 8.914 -1.565 19755 6463 1 14 . 1 1 11 11 VAL N N 11 124.880 124.880 120.754 4.126 19755 6464 1 14 . 1 1 11 11 VAL HA H 11 4.857 4.857 4.763 0.094 19755 6465 1 14 . 1 1 11 11 VAL C C 11 172.156 172.156 173.573 -1.417 19755 6466 1 14 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.666 0.210 19755 6467 1 14 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.630 0.356 19755 6468 1 14 . 1 1 11 11 VAL H H 11 9.043 9.043 9.152 -0.109 19755 6469 1 14 . 1 1 12 12 LYS N N 12 124.164 124.164 118.755 5.409 19755 6470 1 14 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.426 0.158 19755 6471 1 14 . 1 1 12 12 LYS C C 12 173.380 173.380 174.856 -1.476 19755 6472 1 14 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.874 -0.669 19755 6473 1 14 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.857 0.600 19755 6474 1 14 . 1 1 12 12 LYS H H 12 8.884 8.884 8.854 0.030 19755 6475 1 14 . 1 1 13 13 PHE N N 13 124.228 124.228 114.152 10.076 19755 6476 1 14 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.327 0.001 19755 6477 1 14 . 1 1 13 13 PHE C C 13 172.237 172.237 172.736 -0.499 19755 6478 1 14 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.241 -0.255 19755 6479 1 14 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.214 -0.298 19755 6480 1 14 . 1 1 13 13 PHE H H 13 8.989 8.989 8.896 0.094 19755 6481 1 14 . 1 1 14 14 TYR N N 14 121.263 121.263 120.852 0.411 19755 6482 1 14 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.490 -0.103 19755 6483 1 14 . 1 1 14 14 TYR C C 14 174.713 174.713 173.399 1.314 19755 6484 1 14 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.974 -0.021 19755 6485 1 14 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.770 -1.262 19755 6486 1 14 . 1 1 14 14 TYR H H 14 8.670 8.670 9.188 -0.518 19755 6487 1 14 . 1 1 15 15 MET N N 15 124.869 124.869 125.994 -1.125 19755 6488 1 14 . 1 1 15 15 MET HA H 15 4.417 4.417 4.659 -0.242 19755 6489 1 14 . 1 1 15 15 MET C C 15 173.614 173.614 173.822 -0.208 19755 6490 1 14 . 1 1 15 15 MET CA C 15 54.305 54.305 54.706 -0.401 19755 6491 1 14 . 1 1 15 15 MET CB C 15 37.439 37.439 35.497 1.942 19755 6492 1 14 . 1 1 15 15 MET H H 15 7.927 7.927 8.462 -0.535 19755 6493 1 14 . 1 1 16 16 SER N N 16 120.626 120.626 123.258 -2.632 19755 6494 1 14 . 1 1 16 16 SER HA H 16 4.396 4.396 4.278 0.118 19755 6495 1 14 . 1 1 16 16 SER C C 16 175.508 175.508 175.984 -0.476 19755 6496 1 14 . 1 1 16 16 SER CA C 16 57.637 57.637 58.668 -1.031 19755 6497 1 14 . 1 1 16 16 SER CB C 16 65.033 65.033 63.776 1.257 19755 6498 1 14 . 1 1 16 16 SER H H 16 9.061 9.061 8.544 0.517 19755 6499 1 14 . 1 1 17 17 TYR N N 17 119.917 119.917 124.039 -4.122 19755 6500 1 14 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.317 0.043 19755 6501 1 14 . 1 1 17 17 TYR C C 17 178.684 178.684 178.007 0.677 19755 6502 1 14 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.384 1.572 19755 6503 1 14 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.727 -0.738 19755 6504 1 14 . 1 1 17 17 TYR H H 17 8.411 8.411 8.567 -0.156 19755 6505 1 14 . 1 1 18 18 GLY N N 18 107.011 107.011 104.700 2.311 19755 6506 1 14 . 1 1 18 18 GLY C C 18 175.454 175.454 175.559 -0.105 19755 6507 1 14 . 1 1 18 18 GLY CA C 18 47.446 47.446 45.259 2.187 19755 6508 1 14 . 1 1 18 18 GLY H H 18 8.534 8.534 8.640 -0.106 19755 6509 1 14 . 1 1 19 19 ASP N N 19 122.947 122.947 123.431 -0.484 19755 6510 1 14 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.452 -0.060 19755 6511 1 14 . 1 1 19 19 ASP C C 19 179.020 179.020 178.002 1.018 19755 6512 1 14 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.569 -0.126 19755 6513 1 14 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.096 -0.182 19755 6514 1 14 . 1 1 19 19 ASP H H 19 7.788 7.788 7.877 -0.089 19755 6515 1 14 . 1 1 20 20 ILE N N 20 119.114 119.114 119.534 -0.420 19755 6516 1 14 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.706 -0.178 19755 6517 1 14 . 1 1 20 20 ILE C C 20 177.939 177.939 177.617 0.322 19755 6518 1 14 . 1 1 20 20 ILE CA C 20 66.310 66.310 65.615 0.694 19755 6519 1 14 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.150 0.736 19755 6520 1 14 . 1 1 20 20 ILE H H 20 7.762 7.762 7.425 0.337 19755 6521 1 14 . 1 1 21 21 GLU N N 21 119.999 119.999 119.948 0.051 19755 6522 1 14 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.254 0.328 19755 6523 1 14 . 1 1 21 21 GLU C C 21 181.888 181.888 178.573 3.315 19755 6524 1 14 . 1 1 21 21 GLU CA C 21 59.207 59.207 58.913 0.294 19755 6525 1 14 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.400 0.014 19755 6526 1 14 . 1 1 21 21 GLU H H 21 8.113 8.113 8.244 -0.131 19755 6527 1 14 . 1 1 22 22 ASP N N 22 122.667 122.667 120.285 2.382 19755 6528 1 14 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.465 0.009 19755 6529 1 14 . 1 1 22 22 ASP C C 22 178.184 178.184 178.513 -0.329 19755 6530 1 14 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.354 0.981 19755 6531 1 14 . 1 1 22 22 ASP CB C 22 40.867 40.867 40.967 -0.100 19755 6532 1 14 . 1 1 22 22 ASP H H 22 8.699 8.699 7.716 0.983 19755 6533 1 14 . 1 1 23 23 ARG N N 23 116.862 116.862 117.129 -0.267 19755 6534 1 14 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.292 0.052 19755 6535 1 14 . 1 1 23 23 ARG C C 23 176.101 176.101 177.028 -0.927 19755 6536 1 14 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.915 -0.263 19755 6537 1 14 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.795 0.002 19755 6538 1 14 . 1 1 23 23 ARG H H 23 7.380 7.380 8.108 -0.728 19755 6539 1 14 . 1 1 24 24 GLY N N 24 106.318 106.318 105.641 0.677 19755 6540 1 14 . 1 1 24 24 GLY C C 24 174.117 174.117 174.657 -0.540 19755 6541 1 14 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.138 0.355 19755 6542 1 14 . 1 1 24 24 GLY H H 24 8.004 8.004 7.785 0.219 19755 6543 1 14 . 1 1 25 25 PHE N N 25 118.274 118.274 120.335 -2.061 19755 6544 1 14 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.617 0.005 19755 6545 1 14 . 1 1 25 25 PHE C C 25 174.127 174.127 175.035 -0.908 19755 6546 1 14 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.790 -0.860 19755 6547 1 14 . 1 1 25 25 PHE CB C 25 41.871 41.871 39.993 1.878 19755 6548 1 14 . 1 1 25 25 PHE H H 25 7.550 7.550 8.192 -0.642 19755 6549 1 14 . 1 1 26 26 ASP N N 26 121.320 121.320 118.313 3.007 19755 6550 1 14 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.942 -0.048 19755 6551 1 14 . 1 1 26 26 ASP C C 26 177.370 177.370 177.124 0.246 19755 6552 1 14 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.492 0.615 19755 6553 1 14 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.792 0.274 19755 6554 1 14 . 1 1 26 26 ASP H H 26 8.891 8.891 8.457 0.434 19755 6555 1 14 . 1 1 27 27 ARG N N 27 124.100 124.100 123.639 0.461 19755 6556 1 14 . 1 1 27 27 ARG HA H 27 3.842 3.842 4.028 -0.186 19755 6557 1 14 . 1 1 27 27 ARG C C 27 176.201 176.201 177.094 -0.893 19755 6558 1 14 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.023 0.834 19755 6559 1 14 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.002 -0.327 19755 6560 1 14 . 1 1 27 27 ARG H H 27 9.033 9.033 8.807 0.226 19755 6561 1 14 . 1 1 28 28 GLU N N 28 118.451 118.451 118.228 0.223 19755 6562 1 14 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.412 -0.375 19755 6563 1 14 . 1 1 28 28 GLU C C 28 178.889 178.889 179.233 -0.344 19755 6564 1 14 . 1 1 28 28 GLU CA C 28 59.255 59.255 58.919 0.336 19755 6565 1 14 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.851 -0.401 19755 6566 1 14 . 1 1 28 28 GLU H H 28 8.362 8.362 7.823 0.539 19755 6567 1 14 . 1 1 29 29 GLU N N 29 118.302 118.302 120.626 -2.324 19755 6568 1 14 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.164 -0.079 19755 6569 1 14 . 1 1 29 29 GLU C C 29 178.137 178.137 178.921 -0.784 19755 6570 1 14 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.207 -0.247 19755 6571 1 14 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.115 1.337 19755 6572 1 14 . 1 1 29 29 GLU H H 29 7.821 7.821 8.140 -0.319 19755 6573 1 14 . 1 1 30 30 ILE N N 30 115.456 115.456 118.929 -3.473 19755 6574 1 14 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.607 0.020 19755 6575 1 14 . 1 1 30 30 ILE C C 30 176.229 176.229 177.642 -1.413 19755 6576 1 14 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.635 -3.572 19755 6577 1 14 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.799 -0.859 19755 6578 1 14 . 1 1 30 30 ILE H H 30 7.363 7.363 8.313 -0.950 19755 6579 1 14 . 1 1 31 31 TRP N N 31 116.714 116.714 116.454 0.260 19755 6580 1 14 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.293 -0.143 19755 6581 1 14 . 1 1 31 31 TRP C C 31 178.092 178.092 176.719 1.373 19755 6582 1 14 . 1 1 31 31 TRP CA C 31 59.618 59.618 57.819 1.799 19755 6583 1 14 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.192 0.436 19755 6584 1 14 . 1 1 31 31 TRP H H 31 7.410 7.410 7.350 0.060 19755 6585 1 14 . 1 1 32 32 TYR N N 32 112.769 112.769 114.607 -1.838 19755 6586 1 14 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.717 0.049 19755 6587 1 14 . 1 1 32 32 TYR C C 32 175.767 175.767 175.289 0.478 19755 6588 1 14 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.628 1.004 19755 6589 1 14 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.269 0.953 19755 6590 1 14 . 1 1 32 32 TYR H H 32 7.577 7.577 7.277 0.300 19755 6591 1 14 . 1 1 33 33 ASN N N 33 120.521 120.521 119.791 0.730 19755 6592 1 14 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.154 -0.106 19755 6593 1 14 . 1 1 33 33 ASN C C 33 174.851 174.851 175.092 -0.241 19755 6594 1 14 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.913 -0.593 19755 6595 1 14 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.638 -0.425 19755 6596 1 14 . 1 1 33 33 ASN H H 33 8.364 8.364 7.888 0.476 19755 6597 1 14 . 1 1 34 34 ARG N N 34 126.163 126.163 125.745 0.418 19755 6598 1 14 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.993 0.192 19755 6599 1 14 . 1 1 34 34 ARG C C 34 178.509 178.509 177.600 0.909 19755 6600 1 14 . 1 1 34 34 ARG CA C 34 58.504 58.504 59.519 -1.015 19755 6601 1 14 . 1 1 34 34 ARG CB C 34 29.493 29.493 29.892 -0.399 19755 6602 1 14 . 1 1 34 34 ARG H H 34 8.830 8.830 8.894 -0.064 19755 6603 1 14 . 1 1 35 35 GLU N N 35 118.994 118.994 117.836 1.158 19755 6604 1 14 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.302 -0.142 19755 6605 1 14 . 1 1 35 35 GLU C C 35 179.839 179.839 178.378 1.461 19755 6606 1 14 . 1 1 35 35 GLU CA C 35 60.191 60.191 58.806 1.385 19755 6607 1 14 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.848 0.585 19755 6608 1 14 . 1 1 35 35 GLU H H 35 8.380 8.380 8.841 -0.461 19755 6609 1 14 . 1 1 36 36 ARG N N 36 119.197 119.197 119.609 -0.412 19755 6610 1 14 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.532 -0.132 19755 6611 1 14 . 1 1 36 36 ARG C C 36 178.217 178.217 178.540 -0.323 19755 6612 1 14 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.445 0.949 19755 6613 1 14 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.814 -0.279 19755 6614 1 14 . 1 1 36 36 ARG H H 36 7.686 7.686 8.065 -0.379 19755 6615 1 14 . 1 1 37 37 SER N N 37 114.607 114.607 116.272 -1.665 19755 6616 1 14 . 1 1 37 37 SER HA H 37 3.899 3.899 4.095 -0.196 19755 6617 1 14 . 1 1 37 37 SER C C 37 178.298 178.298 176.235 2.063 19755 6618 1 14 . 1 1 37 37 SER CA C 37 62.455 62.455 61.872 0.583 19755 6619 1 14 . 1 1 37 37 SER CB C 37 62.542 62.542 62.746 -0.204 19755 6620 1 14 . 1 1 37 37 SER H H 37 8.282 8.282 8.312 -0.030 19755 6621 1 14 . 1 1 38 38 GLU N N 38 121.063 121.063 122.408 -1.345 19755 6622 1 14 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.207 -0.451 19755 6623 1 14 . 1 1 38 38 GLU C C 38 177.182 177.182 178.731 -1.549 19755 6624 1 14 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.829 0.469 19755 6625 1 14 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.573 -0.299 19755 6626 1 14 . 1 1 38 38 GLU H H 38 7.849 7.849 7.714 0.135 19755 6627 1 14 . 1 1 39 39 GLU N N 39 119.119 119.119 118.859 0.260 19755 6628 1 14 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.188 0.041 19755 6629 1 14 . 1 1 39 39 GLU C C 39 179.781 179.781 178.987 0.794 19755 6630 1 14 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.738 1.434 19755 6631 1 14 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.891 1.168 19755 6632 1 14 . 1 1 39 39 GLU H H 39 7.686 7.686 7.851 -0.165 19755 6633 1 14 . 1 1 40 40 LEU N N 40 120.164 120.164 120.564 -0.400 19755 6634 1 14 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.630 0.062 19755 6635 1 14 . 1 1 40 40 LEU C C 40 177.155 177.155 178.105 -0.950 19755 6636 1 14 . 1 1 40 40 LEU CA C 40 58.264 58.264 57.865 0.399 19755 6637 1 14 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.404 -0.955 19755 6638 1 14 . 1 1 40 40 LEU H H 40 7.739 7.739 7.798 -0.059 19755 6639 1 14 . 1 1 41 41 PHE N N 41 118.207 118.207 116.800 1.407 19755 6640 1 14 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.074 -0.269 19755 6641 1 14 . 1 1 41 41 PHE C C 41 176.387 176.387 177.689 -1.302 19755 6642 1 14 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.895 -0.531 19755 6643 1 14 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.255 -0.186 19755 6644 1 14 . 1 1 41 41 PHE H H 41 7.825 7.825 7.305 0.520 19755 6645 1 14 . 1 1 42 42 TRP N N 42 117.448 117.448 118.544 -1.096 19755 6646 1 14 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.134 -0.010 19755 6647 1 14 . 1 1 42 42 TRP C C 42 179.071 179.071 178.352 0.719 19755 6648 1 14 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.624 -1.545 19755 6649 1 14 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.196 0.258 19755 6650 1 14 . 1 1 42 42 TRP H H 42 8.266 8.266 8.846 -0.580 19755 6651 1 14 . 1 1 43 43 GLU N N 43 120.573 120.573 119.126 1.447 19755 6652 1 14 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.044 0.115 19755 6653 1 14 . 1 1 43 43 GLU C C 43 179.556 179.556 178.764 0.792 19755 6654 1 14 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.333 0.848 19755 6655 1 14 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.137 0.365 19755 6656 1 14 . 1 1 43 43 GLU H H 43 7.918 7.918 7.773 0.145 19755 6657 1 14 . 1 1 44 44 VAL N N 44 119.502 119.502 116.232 3.270 19755 6658 1 14 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.491 -0.046 19755 6659 1 14 . 1 1 44 44 VAL C C 44 178.356 178.356 177.598 0.758 19755 6660 1 14 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.583 0.807 19755 6661 1 14 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.209 0.011 19755 6662 1 14 . 1 1 44 44 VAL H H 44 7.947 7.947 7.225 0.722 19755 6663 1 14 . 1 1 45 45 MET N N 45 117.691 117.691 119.344 -1.653 19755 6664 1 14 . 1 1 45 45 MET HA H 45 4.118 4.118 4.186 -0.068 19755 6665 1 14 . 1 1 45 45 MET C C 45 179.207 179.207 178.517 0.690 19755 6666 1 14 . 1 1 45 45 MET CA C 45 56.677 56.677 57.381 -0.704 19755 6667 1 14 . 1 1 45 45 MET CB C 45 31.094 31.094 32.100 -1.006 19755 6668 1 14 . 1 1 45 45 MET H H 45 7.998 7.998 8.172 -0.174 19755 6669 1 14 . 1 1 46 46 ASP N N 46 119.109 119.109 120.361 -1.252 19755 6670 1 14 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.279 0.262 19755 6671 1 14 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.331 -0.389 19755 6672 1 14 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.809 0.619 19755 6673 1 14 . 1 1 46 46 ASP H H 46 7.773 7.773 8.115 -0.342 19755 6674 1 14 . 1 1 47 47 GLU N N 47 118.018 118.018 118.264 -0.246 19755 6675 1 14 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.231 -0.063 19755 6676 1 14 . 1 1 47 47 GLU C C 47 177.957 177.957 177.480 0.477 19755 6677 1 14 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.416 -0.439 19755 6678 1 14 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.650 0.753 19755 6679 1 14 . 1 1 47 47 GLU H H 47 7.608 7.608 7.981 -0.373 19755 6680 1 14 . 1 1 48 48 VAL N N 48 115.277 115.277 111.452 3.825 19755 6681 1 14 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.483 -0.378 19755 6682 1 14 . 1 1 48 48 VAL CA C 48 62.377 62.377 62.034 0.343 19755 6683 1 14 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.097 1.768 19755 6684 1 14 . 1 1 48 48 VAL H H 48 7.508 7.508 7.537 -0.029 19755 6685 1 14 . 1 1 49 49 HIS N N 49 121.222 121.222 122.858 -1.636 19755 6686 1 14 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.253 0.358 19755 6687 1 14 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.783 -2.783 19755 6688 1 14 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.219 -0.690 19755 6689 1 14 . 1 1 49 49 HIS H H 49 8.099 8.099 7.702 0.397 19755 6690 1 14 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.343 -0.121 19755 6691 1 14 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.649 -1.020 19755 6692 1 14 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.135 1.288 19755 6693 1 14 . 1 1 51 51 GLU N N 51 119.589 119.589 116.142 3.447 19755 6694 1 14 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.404 -0.170 19755 6695 1 14 . 1 1 51 51 GLU C C 51 176.279 176.279 176.385 -0.106 19755 6696 1 14 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.085 -0.538 19755 6697 1 14 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.339 0.242 19755 6698 1 14 . 1 1 51 51 GLU H H 51 8.121 8.121 8.191 -0.070 19755 6699 1 14 . 1 1 52 52 GLU N N 52 122.410 122.410 118.203 4.207 19755 6700 1 14 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.482 -0.172 19755 6701 1 14 . 1 1 52 52 GLU C C 52 176.127 176.127 178.209 -2.082 19755 6702 1 14 . 1 1 52 52 GLU CA C 52 56.508 56.508 56.590 -0.082 19755 6703 1 14 . 1 1 52 52 GLU CB C 52 30.565 30.565 30.710 -0.145 19755 6704 1 14 . 1 1 52 52 GLU H H 52 8.412 8.412 7.946 0.466 19755 6705 1 14 . 1 1 53 53 GLU N N 53 121.407 121.407 121.130 0.277 19755 6706 1 14 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.798 0.496 19755 6707 1 14 . 1 1 53 53 GLU C C 53 176.242 176.242 177.448 -1.206 19755 6708 1 14 . 1 1 53 53 GLU CA C 53 56.607 56.607 59.181 -2.574 19755 6709 1 14 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.615 1.824 19755 6710 1 14 . 1 1 53 53 GLU H H 53 8.361 8.361 8.223 0.138 19755 6711 1 14 . 1 1 54 54 PHE N N 54 121.128 121.128 118.792 2.336 19755 6712 1 14 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.349 0.245 19755 6713 1 14 . 1 1 54 54 PHE C C 54 176.021 176.021 175.478 0.543 19755 6714 1 14 . 1 1 54 54 PHE CA C 54 57.554 57.554 59.230 -1.676 19755 6715 1 14 . 1 1 54 54 PHE CB C 54 40.192 40.192 39.500 0.692 19755 6716 1 14 . 1 1 54 54 PHE H H 54 8.147 8.147 7.873 0.274 19755 6717 1 14 . 1 1 55 55 ALA N N 55 126.124 126.124 119.630 6.494 19755 6718 1 14 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.368 0.053 19755 6719 1 14 . 1 1 55 55 ALA C C 55 177.391 177.391 176.614 0.777 19755 6720 1 14 . 1 1 55 55 ALA CA C 55 52.373 52.373 51.755 0.618 19755 6721 1 14 . 1 1 55 55 ALA CB C 55 19.512 19.512 21.243 -1.731 19755 6722 1 14 . 1 1 55 55 ALA H H 55 8.124 8.124 8.174 -0.050 19755 6723 1 14 . 1 1 56 56 VAL N N 56 119.019 119.019 122.197 -3.178 19755 6724 1 14 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.063 0.070 19755 6725 1 14 . 1 1 56 56 VAL C C 56 176.128 176.128 174.532 1.596 19755 6726 1 14 . 1 1 56 56 VAL CA C 56 62.306 62.306 62.737 -0.431 19755 6727 1 14 . 1 1 56 56 VAL CB C 56 33.274 33.274 29.696 3.578 19755 6728 1 14 . 1 1 56 56 VAL H H 56 7.958 7.958 7.915 0.043 19755 6729 1 14 . 1 1 57 57 GLU N N 57 124.588 124.588 123.563 1.025 19755 6730 1 14 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.429 0.066 19755 6731 1 14 . 1 1 57 57 GLU C C 57 176.082 176.082 175.580 0.502 19755 6732 1 14 . 1 1 57 57 GLU CA C 57 56.056 56.056 56.086 -0.030 19755 6733 1 14 . 1 1 57 57 GLU CB C 57 31.303 31.303 30.208 1.095 19755 6734 1 14 . 1 1 57 57 GLU H H 57 8.413 8.413 8.421 -0.008 19755 6735 1 14 . 1 1 58 58 GLY N N 58 110.794 110.794 109.402 1.392 19755 6736 1 14 . 1 1 58 58 GLY C C 58 170.660 170.660 172.211 -1.551 19755 6737 1 14 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.606 0.251 19755 6738 1 14 . 1 1 58 58 GLY H H 58 8.040 8.040 7.819 0.221 19755 6739 1 14 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.434 -0.003 19755 6740 1 14 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.486 0.602 19755 6741 1 14 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.451 0.023 19755 6742 1 14 . 1 1 60 60 LEU N N 60 120.609 120.609 119.870 0.739 19755 6743 1 14 . 1 1 60 60 LEU C C 60 176.392 176.392 174.889 1.503 19755 6744 1 14 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.430 -0.506 19755 6745 1 14 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.303 -0.265 19755 6746 1 14 . 1 1 60 60 LEU H H 60 8.367 8.367 8.015 0.352 19755 6747 1 14 . 1 1 61 61 TRP N N 61 124.050 124.050 124.734 -0.684 19755 6748 1 14 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.868 0.093 19755 6749 1 14 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.792 -0.659 19755 6750 1 14 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.260 -2.394 19755 6751 1 14 . 1 1 61 61 TRP H H 61 9.101 9.101 8.355 0.746 19755 6752 1 14 . 1 1 62 62 ILE N N 62 121.315 121.315 121.352 -0.037 19755 6753 1 14 . 1 1 62 62 ILE C C 62 174.576 174.576 174.826 -0.250 19755 6754 1 14 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.252 1.304 19755 6755 1 14 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.264 -0.625 19755 6756 1 14 . 1 1 62 62 ILE H H 62 7.863 7.863 8.530 -0.667 19755 6757 1 14 . 1 1 63 63 GLN N N 63 127.300 127.300 125.293 2.007 19755 6758 1 14 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.900 -0.366 19755 6759 1 14 . 1 1 63 63 GLN C C 63 173.768 173.768 173.500 0.268 19755 6760 1 14 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.531 -0.122 19755 6761 1 14 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.486 -3.177 19755 6762 1 14 . 1 1 63 63 GLN H H 63 8.881 8.881 9.167 -0.286 19755 6763 1 14 . 1 1 64 64 VAL N N 64 123.414 123.414 121.205 2.209 19755 6764 1 14 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.975 -0.298 19755 6765 1 14 . 1 1 64 64 VAL C C 64 174.737 174.737 173.981 0.756 19755 6766 1 14 . 1 1 64 64 VAL CA C 64 60.965 60.965 59.607 1.358 19755 6767 1 14 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.270 -0.850 19755 6768 1 14 . 1 1 64 64 VAL H H 64 8.330 8.330 8.428 -0.098 19755 6769 1 14 . 1 1 65 65 GLN N N 65 125.152 125.152 123.439 1.713 19755 6770 1 14 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.649 0.102 19755 6771 1 14 . 1 1 65 65 GLN C C 65 174.043 174.043 174.110 -0.067 19755 6772 1 14 . 1 1 65 65 GLN CA C 65 54.421 54.421 54.266 0.155 19755 6773 1 14 . 1 1 65 65 GLN CB C 65 31.956 31.956 33.110 -1.154 19755 6774 1 14 . 1 1 65 65 GLN H H 65 8.938 8.938 8.793 0.145 19755 6775 1 14 . 1 1 66 66 ALA N N 66 127.534 127.534 125.596 1.938 19755 6776 1 14 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.781 -0.145 19755 6777 1 14 . 1 1 66 66 ALA C C 66 176.740 176.740 176.074 0.666 19755 6778 1 14 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.149 1.652 19755 6779 1 14 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.077 -0.731 19755 6780 1 14 . 1 1 66 66 ALA H H 66 8.808 8.808 8.615 0.193 19755 6781 1 14 . 1 1 67 67 LEU N N 67 124.609 124.609 124.210 0.399 19755 6782 1 14 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.803 -0.018 19755 6783 1 14 . 1 1 67 67 LEU C C 67 177.190 177.190 177.712 -0.522 19755 6784 1 14 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.806 -0.221 19755 6785 1 14 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.577 -0.731 19755 6786 1 14 . 1 1 67 67 LEU H H 67 8.541 8.541 8.723 -0.182 19755 6787 1 14 . 1 1 68 68 ASP N N 68 120.713 120.713 119.596 1.117 19755 6788 1 14 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.467 -0.037 19755 6789 1 14 . 1 1 68 68 ASP C C 68 177.319 177.319 176.948 0.371 19755 6790 1 14 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.625 1.465 19755 6791 1 14 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.103 -0.188 19755 6792 1 14 . 1 1 68 68 ASP H H 68 8.539 8.539 8.641 -0.102 19755 6793 1 14 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.583 0.019 19755 6794 1 14 . 1 1 69 69 LYS C C 69 176.282 176.282 174.403 1.879 19755 6795 1 14 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.959 0.858 19755 6796 1 14 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.441 1.122 19755 6797 1 14 . 1 1 70 70 GLY N N 70 110.325 110.325 105.902 4.423 19755 6798 1 14 . 1 1 70 70 GLY C C 70 169.572 169.572 171.325 -1.753 19755 6799 1 14 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.300 0.066 19755 6800 1 14 . 1 1 70 70 GLY H H 70 6.977 6.977 6.931 0.046 19755 6801 1 14 . 1 1 71 71 LEU N N 71 116.716 116.716 118.876 -2.160 19755 6802 1 14 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.085 -0.069 19755 6803 1 14 . 1 1 71 71 LEU C C 71 174.299 174.299 175.256 -0.957 19755 6804 1 14 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.221 -1.165 19755 6805 1 14 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.903 -1.011 19755 6806 1 14 . 1 1 71 71 LEU H H 71 8.032 8.032 8.402 -0.370 19755 6807 1 14 . 1 1 72 72 GLU N N 72 120.507 120.507 121.675 -1.168 19755 6808 1 14 . 1 1 72 72 GLU HA H 72 4.966 4.966 4.969 -0.003 19755 6809 1 14 . 1 1 72 72 GLU C C 72 174.588 174.588 175.466 -0.878 19755 6810 1 14 . 1 1 72 72 GLU CA C 72 55.034 55.034 56.029 -0.995 19755 6811 1 14 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.788 1.604 19755 6812 1 14 . 1 1 72 72 GLU H H 72 8.739 8.739 8.467 0.272 19755 6813 1 14 . 1 1 73 73 ILE N N 73 127.226 127.226 123.333 3.893 19755 6814 1 14 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.506 0.020 19755 6815 1 14 . 1 1 73 73 ILE C C 73 173.786 173.786 174.357 -0.571 19755 6816 1 14 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.546 0.882 19755 6817 1 14 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.567 -0.462 19755 6818 1 14 . 1 1 73 73 ILE H H 73 8.755 8.755 8.710 0.045 19755 6819 1 14 . 1 1 74 74 ILE N N 74 126.107 126.107 127.675 -1.568 19755 6820 1 14 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.661 0.005 19755 6821 1 14 . 1 1 74 74 ILE C C 74 175.304 175.304 174.837 0.467 19755 6822 1 14 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.531 1.277 19755 6823 1 14 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.718 -0.286 19755 6824 1 14 . 1 1 74 74 ILE H H 74 8.691 8.691 8.979 -0.288 19755 6825 1 14 . 1 1 75 75 VAL N N 75 128.967 128.967 125.001 3.966 19755 6826 1 14 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.314 -0.709 19755 6827 1 14 . 1 1 75 75 VAL C C 75 174.187 174.187 175.261 -1.074 19755 6828 1 14 . 1 1 75 75 VAL CA C 75 61.420 61.420 60.075 1.345 19755 6829 1 14 . 1 1 75 75 VAL CB C 75 33.645 33.645 34.816 -1.171 19755 6830 1 14 . 1 1 75 75 VAL H H 75 9.178 9.178 9.348 -0.170 19755 6831 1 14 . 1 1 76 76 THR HA H 76 5.743 5.743 5.103 0.640 19755 6832 1 14 . 1 1 76 76 THR CA C 76 59.957 59.957 59.339 0.618 19755 6833 1 14 . 1 1 76 76 THR CB C 76 71.833 71.833 72.103 -0.270 19755 6834 1 14 . 1 1 77 77 LYS N N 77 124.204 124.204 120.949 3.255 19755 6835 1 14 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.924 -0.336 19755 6836 1 14 . 1 1 77 77 LYS CA C 77 55.751 55.751 55.127 0.624 19755 6837 1 14 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.962 -2.015 19755 6838 1 14 . 1 1 77 77 LYS H H 77 8.688 8.688 8.421 0.267 19755 6839 1 14 . 1 1 78 78 ALA N N 78 125.102 125.102 122.756 2.346 19755 6840 1 14 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.167 -0.191 19755 6841 1 14 . 1 1 78 78 ALA C C 78 176.776 176.776 178.351 -1.575 19755 6842 1 14 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.242 0.188 19755 6843 1 14 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.259 0.283 19755 6844 1 14 . 1 1 78 78 ALA H H 78 8.137 8.137 8.484 -0.347 19755 6845 1 14 . 1 1 79 79 GLN HA H 79 4.085 4.085 2.995 1.090 19755 6846 1 14 . 1 1 79 79 GLN CA C 79 55.540 55.540 55.029 0.511 19755 6847 1 14 . 1 1 79 79 GLN CB C 79 29.617 29.617 26.331 3.286 19755 6848 1 14 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.091 0.204 19755 6849 1 14 . 1 1 80 80 LEU CA C 80 55.034 55.034 56.953 -1.919 19755 6850 1 14 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.494 -0.174 19755 6851 1 14 . 1 1 81 81 SER N N 81 116.580 116.580 111.966 4.614 19755 6852 1 14 . 1 1 81 81 SER HA H 81 4.291 4.291 4.896 -0.605 19755 6853 1 14 . 1 1 81 81 SER C C 81 174.770 174.770 173.691 1.079 19755 6854 1 14 . 1 1 81 81 SER CA C 81 58.674 58.674 57.462 1.212 19755 6855 1 14 . 1 1 81 81 SER CB C 81 63.931 63.931 63.515 0.416 19755 6856 1 14 . 1 1 81 81 SER H H 81 8.214 8.214 8.527 -0.313 19755 6857 1 14 . 1 1 82 82 LYS N N 82 122.968 122.968 122.127 0.841 19755 6858 1 14 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.133 0.150 19755 6859 1 14 . 1 1 82 82 LYS C C 82 176.222 176.222 176.079 0.143 19755 6860 1 14 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.667 -2.126 19755 6861 1 14 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.877 0.064 19755 6862 1 14 . 1 1 82 82 LYS H H 82 8.255 8.255 7.703 0.552 19755 6863 1 14 . 1 1 83 83 ASP N N 83 120.305 120.305 114.403 5.902 19755 6864 1 14 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.690 -0.144 19755 6865 1 14 . 1 1 83 83 ASP C C 83 176.527 176.527 174.550 1.977 19755 6866 1 14 . 1 1 83 83 ASP CA C 83 54.864 54.864 53.639 1.225 19755 6867 1 14 . 1 1 83 83 ASP CB C 83 41.156 41.156 43.314 -2.158 19755 6868 1 14 . 1 1 83 83 ASP H H 83 8.158 8.158 7.819 0.339 19755 6869 1 14 . 1 1 84 84 LEU N N 84 121.499 121.499 123.043 -1.544 19755 6870 1 14 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.528 -0.345 19755 6871 1 14 . 1 1 84 84 LEU C C 84 177.585 177.585 176.721 0.864 19755 6872 1 14 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.767 -0.725 19755 6873 1 14 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.462 -1.083 19755 6874 1 14 . 1 1 84 84 LEU H H 84 7.955 7.955 8.270 -0.315 19755 6875 1 14 . 1 1 85 85 ASP N N 85 119.668 119.668 120.358 -0.690 19755 6876 1 14 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.461 0.039 19755 6877 1 14 . 1 1 85 85 ASP C C 85 176.445 176.445 176.493 -0.048 19755 6878 1 14 . 1 1 85 85 ASP CA C 85 55.143 55.143 55.335 -0.192 19755 6879 1 14 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.349 -0.232 19755 6880 1 14 . 1 1 85 85 ASP H H 85 8.207 8.207 8.527 -0.320 19755 6881 1 14 . 1 1 86 86 LYS N N 86 119.760 119.760 119.932 -0.172 19755 6882 1 14 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.473 -0.220 19755 6883 1 14 . 1 1 86 86 LYS C C 86 176.336 176.336 174.721 1.615 19755 6884 1 14 . 1 1 86 86 LYS CA C 86 56.519 56.519 55.643 0.876 19755 6885 1 14 . 1 1 86 86 LYS CB C 86 33.072 33.072 33.600 -0.528 19755 6886 1 14 . 1 1 86 86 LYS H H 86 7.843 7.843 7.904 -0.061 19755 6887 1 14 . 1 1 87 87 LEU N N 87 122.086 122.086 120.932 1.154 19755 6888 1 14 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.658 -0.349 19755 6889 1 14 . 1 1 87 87 LEU C C 87 176.952 176.952 175.544 1.408 19755 6890 1 14 . 1 1 87 87 LEU CA C 87 55.369 55.369 54.855 0.514 19755 6891 1 14 . 1 1 87 87 LEU CB C 87 42.407 42.407 43.868 -1.462 19755 6892 1 14 . 1 1 87 87 LEU H H 87 8.008 8.008 7.982 0.026 19755 6893 1 14 . 1 1 88 88 VAL N N 88 122.409 122.409 123.148 -0.739 19755 6894 1 14 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.698 -0.324 19755 6895 1 14 . 1 1 88 88 VAL C C 88 174.225 174.225 173.674 0.551 19755 6896 1 14 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.319 0.673 19755 6897 1 14 . 1 1 88 88 VAL CB C 88 32.946 32.946 32.119 0.827 19755 6898 1 14 . 1 1 88 88 VAL H H 88 7.919 7.919 8.332 -0.413 19755 6899 1 14 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.528 -0.158 19755 6900 1 14 . 1 1 89 89 PRO C C 89 176.035 176.035 176.832 -0.797 19755 6901 1 14 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.044 0.548 19755 6902 1 14 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.253 -0.035 19755 6903 1 15 . 1 1 2 2 GLU N N 2 123.952 123.952 120.894 3.058 19755 6904 1 15 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.829 -0.148 19755 6905 1 15 . 1 1 2 2 GLU C C 2 174.704 174.704 174.746 -0.042 19755 6906 1 15 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.541 0.325 19755 6907 1 15 . 1 1 2 2 GLU CB C 2 32.406 32.406 33.190 -0.784 19755 6908 1 15 . 1 1 2 2 GLU H H 2 8.571 8.571 8.527 0.044 19755 6909 1 15 . 1 1 3 3 ILE N N 3 121.558 121.558 122.795 -1.237 19755 6910 1 15 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.905 -0.193 19755 6911 1 15 . 1 1 3 3 ILE C C 3 174.736 174.736 175.698 -0.962 19755 6912 1 15 . 1 1 3 3 ILE CA C 3 60.277 60.277 58.777 1.500 19755 6913 1 15 . 1 1 3 3 ILE CB C 3 40.861 40.861 40.687 0.174 19755 6914 1 15 . 1 1 3 3 ILE H H 3 8.565 8.565 8.510 0.055 19755 6915 1 15 . 1 1 4 4 GLU N N 4 126.319 126.319 125.719 0.600 19755 6916 1 15 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.659 -0.098 19755 6917 1 15 . 1 1 4 4 GLU C C 4 174.708 174.708 174.387 0.321 19755 6918 1 15 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.877 0.351 19755 6919 1 15 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.812 -0.803 19755 6920 1 15 . 1 1 4 4 GLU H H 4 9.153 9.153 9.250 -0.097 19755 6921 1 15 . 1 1 5 5 ARG N N 5 127.727 127.727 125.701 2.026 19755 6922 1 15 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.665 -0.105 19755 6923 1 15 . 1 1 5 5 ARG C C 5 175.807 175.807 175.609 0.198 19755 6924 1 15 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.572 0.551 19755 6925 1 15 . 1 1 5 5 ARG CB C 5 29.653 29.653 30.457 -0.804 19755 6926 1 15 . 1 1 5 5 ARG H H 5 9.002 9.002 8.795 0.207 19755 6927 1 15 . 1 1 6 6 ILE N N 6 129.149 129.149 126.377 2.772 19755 6928 1 15 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.898 0.006 19755 6929 1 15 . 1 1 6 6 ILE C C 6 176.468 176.468 176.556 -0.088 19755 6930 1 15 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.832 0.139 19755 6931 1 15 . 1 1 6 6 ILE CB C 6 38.162 38.162 38.049 0.113 19755 6932 1 15 . 1 1 6 6 ILE H H 6 8.030 8.030 8.375 -0.345 19755 6933 1 15 . 1 1 7 7 ASN N N 7 112.808 112.808 116.377 -3.569 19755 6934 1 15 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.828 -0.269 19755 6935 1 15 . 1 1 7 7 ASN C C 7 175.254 175.254 174.831 0.423 19755 6936 1 15 . 1 1 7 7 ASN CA C 7 52.853 52.853 52.178 0.675 19755 6937 1 15 . 1 1 7 7 ASN CB C 7 38.275 38.275 38.958 -0.683 19755 6938 1 15 . 1 1 7 7 ASN H H 7 8.147 8.147 7.920 0.227 19755 6939 1 15 . 1 1 8 8 GLU N N 8 121.087 121.087 117.453 3.634 19755 6940 1 15 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.077 -0.027 19755 6941 1 15 . 1 1 8 8 GLU C C 8 176.486 176.486 176.259 0.227 19755 6942 1 15 . 1 1 8 8 GLU CA C 8 59.802 59.802 57.751 2.051 19755 6943 1 15 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.192 0.259 19755 6944 1 15 . 1 1 8 8 GLU H H 8 8.770 8.770 8.765 0.005 19755 6945 1 15 . 1 1 9 9 HIS N N 9 113.719 113.719 114.013 -0.294 19755 6946 1 15 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.764 0.201 19755 6947 1 15 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.731 -0.926 19755 6948 1 15 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.701 0.283 19755 6949 1 15 . 1 1 9 9 HIS H H 9 7.921 7.921 8.361 -0.440 19755 6950 1 15 . 1 1 10 10 THR N N 10 116.218 116.218 119.031 -2.813 19755 6951 1 15 . 1 1 10 10 THR HA H 10 5.736 5.736 5.151 0.585 19755 6952 1 15 . 1 1 10 10 THR C C 10 173.396 173.396 173.629 -0.233 19755 6953 1 15 . 1 1 10 10 THR CA C 10 62.820 62.820 63.909 -1.089 19755 6954 1 15 . 1 1 10 10 THR CB C 10 71.465 71.465 69.559 1.905 19755 6955 1 15 . 1 1 10 10 THR H H 10 7.349 7.349 8.980 -1.631 19755 6956 1 15 . 1 1 11 11 VAL N N 11 124.880 124.880 121.342 3.538 19755 6957 1 15 . 1 1 11 11 VAL HA H 11 4.857 4.857 4.747 0.110 19755 6958 1 15 . 1 1 11 11 VAL C C 11 172.156 172.156 173.436 -1.280 19755 6959 1 15 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.825 0.051 19755 6960 1 15 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.692 0.294 19755 6961 1 15 . 1 1 11 11 VAL H H 11 9.043 9.043 8.936 0.107 19755 6962 1 15 . 1 1 12 12 LYS N N 12 124.164 124.164 119.148 5.016 19755 6963 1 15 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.450 0.134 19755 6964 1 15 . 1 1 12 12 LYS C C 12 173.380 173.380 174.913 -1.533 19755 6965 1 15 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.701 -0.496 19755 6966 1 15 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.846 0.611 19755 6967 1 15 . 1 1 12 12 LYS H H 12 8.884 8.884 8.873 0.011 19755 6968 1 15 . 1 1 13 13 PHE N N 13 124.228 124.228 114.209 10.019 19755 6969 1 15 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.377 -0.049 19755 6970 1 15 . 1 1 13 13 PHE C C 13 172.237 172.237 172.811 -0.574 19755 6971 1 15 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.080 -0.094 19755 6972 1 15 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.254 -0.338 19755 6973 1 15 . 1 1 13 13 PHE H H 13 8.989 8.989 8.938 0.051 19755 6974 1 15 . 1 1 14 14 TYR N N 14 121.263 121.263 121.029 0.234 19755 6975 1 15 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.492 -0.105 19755 6976 1 15 . 1 1 14 14 TYR C C 14 174.713 174.713 173.451 1.262 19755 6977 1 15 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.842 0.112 19755 6978 1 15 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.728 -1.220 19755 6979 1 15 . 1 1 14 14 TYR H H 14 8.670 8.670 9.208 -0.538 19755 6980 1 15 . 1 1 15 15 MET N N 15 124.869 124.869 126.132 -1.263 19755 6981 1 15 . 1 1 15 15 MET HA H 15 4.417 4.417 4.649 -0.232 19755 6982 1 15 . 1 1 15 15 MET C C 15 173.614 173.614 173.790 -0.176 19755 6983 1 15 . 1 1 15 15 MET CA C 15 54.305 54.305 54.661 -0.356 19755 6984 1 15 . 1 1 15 15 MET CB C 15 37.439 37.439 35.442 1.997 19755 6985 1 15 . 1 1 15 15 MET H H 15 7.927 7.927 8.480 -0.553 19755 6986 1 15 . 1 1 16 16 SER N N 16 120.626 120.626 123.280 -2.654 19755 6987 1 15 . 1 1 16 16 SER HA H 16 4.396 4.396 4.302 0.094 19755 6988 1 15 . 1 1 16 16 SER C C 16 175.508 175.508 175.974 -0.466 19755 6989 1 15 . 1 1 16 16 SER CA C 16 57.637 57.637 58.616 -0.979 19755 6990 1 15 . 1 1 16 16 SER CB C 16 65.033 65.033 63.804 1.229 19755 6991 1 15 . 1 1 16 16 SER H H 16 9.061 9.061 8.543 0.518 19755 6992 1 15 . 1 1 17 17 TYR N N 17 119.917 119.917 124.601 -4.684 19755 6993 1 15 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.254 0.106 19755 6994 1 15 . 1 1 17 17 TYR C C 17 178.684 178.684 178.182 0.502 19755 6995 1 15 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.482 1.474 19755 6996 1 15 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.643 -0.654 19755 6997 1 15 . 1 1 17 17 TYR H H 17 8.411 8.411 8.619 -0.208 19755 6998 1 15 . 1 1 18 18 GLY N N 18 107.011 107.011 104.949 2.062 19755 6999 1 15 . 1 1 18 18 GLY C C 18 175.454 175.454 175.721 -0.267 19755 7000 1 15 . 1 1 18 18 GLY CA C 18 47.446 47.446 45.777 1.669 19755 7001 1 15 . 1 1 18 18 GLY H H 18 8.534 8.534 8.702 -0.168 19755 7002 1 15 . 1 1 19 19 ASP N N 19 122.947 122.947 122.486 0.461 19755 7003 1 15 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.423 -0.031 19755 7004 1 15 . 1 1 19 19 ASP C C 19 179.020 179.020 178.123 0.897 19755 7005 1 15 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.471 -0.028 19755 7006 1 15 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.051 -0.137 19755 7007 1 15 . 1 1 19 19 ASP H H 19 7.788 7.788 7.979 -0.191 19755 7008 1 15 . 1 1 20 20 ILE N N 20 119.114 119.114 119.779 -0.665 19755 7009 1 15 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.665 -0.137 19755 7010 1 15 . 1 1 20 20 ILE C C 20 177.939 177.939 177.757 0.182 19755 7011 1 15 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.748 1.562 19755 7012 1 15 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.197 0.690 19755 7013 1 15 . 1 1 20 20 ILE H H 20 7.762 7.762 7.540 0.222 19755 7014 1 15 . 1 1 21 21 GLU N N 21 119.999 119.999 119.824 0.175 19755 7015 1 15 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.221 0.361 19755 7016 1 15 . 1 1 21 21 GLU C C 21 181.888 181.888 178.910 2.978 19755 7017 1 15 . 1 1 21 21 GLU CA C 21 59.207 59.207 58.969 0.237 19755 7018 1 15 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.454 -0.040 19755 7019 1 15 . 1 1 21 21 GLU H H 21 8.113 8.113 8.206 -0.093 19755 7020 1 15 . 1 1 22 22 ASP N N 22 122.667 122.667 119.710 2.957 19755 7021 1 15 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.474 0.000 19755 7022 1 15 . 1 1 22 22 ASP C C 22 178.184 178.184 178.218 -0.034 19755 7023 1 15 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.448 0.887 19755 7024 1 15 . 1 1 22 22 ASP CB C 22 40.867 40.867 40.955 -0.088 19755 7025 1 15 . 1 1 22 22 ASP H H 22 8.699 8.699 7.926 0.773 19755 7026 1 15 . 1 1 23 23 ARG N N 23 116.862 116.862 117.412 -0.550 19755 7027 1 15 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.350 -0.006 19755 7028 1 15 . 1 1 23 23 ARG C C 23 176.101 176.101 177.321 -1.220 19755 7029 1 15 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.746 -0.094 19755 7030 1 15 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.627 0.170 19755 7031 1 15 . 1 1 23 23 ARG H H 23 7.380 7.380 7.724 -0.344 19755 7032 1 15 . 1 1 24 24 GLY N N 24 106.318 106.318 105.803 0.515 19755 7033 1 15 . 1 1 24 24 GLY C C 24 174.117 174.117 174.822 -0.705 19755 7034 1 15 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.421 0.072 19755 7035 1 15 . 1 1 24 24 GLY H H 24 8.004 8.004 7.900 0.104 19755 7036 1 15 . 1 1 25 25 PHE N N 25 118.274 118.274 120.248 -1.974 19755 7037 1 15 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.692 -0.070 19755 7038 1 15 . 1 1 25 25 PHE C C 25 174.127 174.127 174.910 -0.783 19755 7039 1 15 . 1 1 25 25 PHE CA C 25 56.930 56.930 56.878 0.052 19755 7040 1 15 . 1 1 25 25 PHE CB C 25 41.871 41.871 39.973 1.898 19755 7041 1 15 . 1 1 25 25 PHE H H 25 7.550 7.550 8.230 -0.680 19755 7042 1 15 . 1 1 26 26 ASP N N 26 121.320 121.320 117.909 3.411 19755 7043 1 15 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.954 -0.060 19755 7044 1 15 . 1 1 26 26 ASP C C 26 177.370 177.370 177.178 0.192 19755 7045 1 15 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.517 0.590 19755 7046 1 15 . 1 1 26 26 ASP CB C 26 44.066 44.066 44.050 0.016 19755 7047 1 15 . 1 1 26 26 ASP H H 26 8.891 8.891 8.459 0.432 19755 7048 1 15 . 1 1 27 27 ARG N N 27 124.100 124.100 122.990 1.110 19755 7049 1 15 . 1 1 27 27 ARG HA H 27 3.842 3.842 4.016 -0.174 19755 7050 1 15 . 1 1 27 27 ARG C C 27 176.201 176.201 177.333 -1.132 19755 7051 1 15 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.262 0.595 19755 7052 1 15 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.197 -0.522 19755 7053 1 15 . 1 1 27 27 ARG H H 27 9.033 9.033 8.709 0.324 19755 7054 1 15 . 1 1 28 28 GLU N N 28 118.451 118.451 118.841 -0.390 19755 7055 1 15 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.523 -0.486 19755 7056 1 15 . 1 1 28 28 GLU C C 28 178.889 178.889 179.100 -0.211 19755 7057 1 15 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.110 0.145 19755 7058 1 15 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.367 0.083 19755 7059 1 15 . 1 1 28 28 GLU H H 28 8.362 8.362 8.276 0.086 19755 7060 1 15 . 1 1 29 29 GLU N N 29 118.302 118.302 120.680 -2.378 19755 7061 1 15 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.223 -0.138 19755 7062 1 15 . 1 1 29 29 GLU C C 29 178.137 178.137 178.937 -0.800 19755 7063 1 15 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.098 -0.138 19755 7064 1 15 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.033 1.419 19755 7065 1 15 . 1 1 29 29 GLU H H 29 7.821 7.821 8.505 -0.684 19755 7066 1 15 . 1 1 30 30 ILE N N 30 115.456 115.456 119.327 -3.871 19755 7067 1 15 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.704 -0.077 19755 7068 1 15 . 1 1 30 30 ILE C C 30 176.229 176.229 177.918 -1.689 19755 7069 1 15 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.866 -3.803 19755 7070 1 15 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.809 -0.870 19755 7071 1 15 . 1 1 30 30 ILE H H 30 7.363 7.363 8.506 -1.143 19755 7072 1 15 . 1 1 31 31 TRP N N 31 116.714 116.714 118.215 -1.501 19755 7073 1 15 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.279 -0.129 19755 7074 1 15 . 1 1 31 31 TRP C C 31 178.092 178.092 178.342 -0.250 19755 7075 1 15 . 1 1 31 31 TRP CA C 31 59.618 59.618 59.423 0.195 19755 7076 1 15 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.097 0.531 19755 7077 1 15 . 1 1 31 31 TRP H H 31 7.410 7.410 7.298 0.112 19755 7078 1 15 . 1 1 32 32 TYR N N 32 112.769 112.769 113.526 -0.757 19755 7079 1 15 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.619 0.147 19755 7080 1 15 . 1 1 32 32 TYR C C 32 175.767 175.767 176.042 -0.275 19755 7081 1 15 . 1 1 32 32 TYR CA C 32 58.632 58.632 58.341 0.291 19755 7082 1 15 . 1 1 32 32 TYR CB C 32 40.222 40.222 38.173 2.049 19755 7083 1 15 . 1 1 32 32 TYR H H 32 7.577 7.577 7.384 0.193 19755 7084 1 15 . 1 1 33 33 ASN N N 33 120.521 120.521 119.536 0.985 19755 7085 1 15 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.056 -0.008 19755 7086 1 15 . 1 1 33 33 ASN C C 33 174.851 174.851 174.660 0.191 19755 7087 1 15 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.720 -0.400 19755 7088 1 15 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.268 -0.055 19755 7089 1 15 . 1 1 33 33 ASN H H 33 8.364 8.364 7.927 0.437 19755 7090 1 15 . 1 1 34 34 ARG N N 34 126.163 126.163 125.555 0.608 19755 7091 1 15 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.933 0.252 19755 7092 1 15 . 1 1 34 34 ARG C C 34 178.509 178.509 177.962 0.547 19755 7093 1 15 . 1 1 34 34 ARG CA C 34 58.504 58.504 60.460 -1.956 19755 7094 1 15 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.413 -0.920 19755 7095 1 15 . 1 1 34 34 ARG H H 34 8.830 8.830 8.968 -0.138 19755 7096 1 15 . 1 1 35 35 GLU N N 35 118.994 118.994 116.103 2.891 19755 7097 1 15 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.237 -0.077 19755 7098 1 15 . 1 1 35 35 GLU C C 35 179.839 179.839 178.493 1.346 19755 7099 1 15 . 1 1 35 35 GLU CA C 35 60.191 60.191 59.003 1.188 19755 7100 1 15 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.742 0.691 19755 7101 1 15 . 1 1 35 35 GLU H H 35 8.380 8.380 8.820 -0.440 19755 7102 1 15 . 1 1 36 36 ARG N N 36 119.197 119.197 119.354 -0.157 19755 7103 1 15 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.551 -0.151 19755 7104 1 15 . 1 1 36 36 ARG C C 36 178.217 178.217 178.772 -0.555 19755 7105 1 15 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.736 0.658 19755 7106 1 15 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.544 -0.009 19755 7107 1 15 . 1 1 36 36 ARG H H 36 7.686 7.686 8.014 -0.328 19755 7108 1 15 . 1 1 37 37 SER N N 37 114.607 114.607 116.521 -1.914 19755 7109 1 15 . 1 1 37 37 SER HA H 37 3.899 3.899 4.187 -0.288 19755 7110 1 15 . 1 1 37 37 SER C C 37 178.298 178.298 176.361 1.937 19755 7111 1 15 . 1 1 37 37 SER CA C 37 62.455 62.455 61.853 0.602 19755 7112 1 15 . 1 1 37 37 SER CB C 37 62.542 62.542 62.666 -0.124 19755 7113 1 15 . 1 1 37 37 SER H H 37 8.282 8.282 8.250 0.032 19755 7114 1 15 . 1 1 38 38 GLU N N 38 121.063 121.063 122.378 -1.315 19755 7115 1 15 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.227 -0.471 19755 7116 1 15 . 1 1 38 38 GLU C C 38 177.182 177.182 178.784 -1.602 19755 7117 1 15 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.858 0.440 19755 7118 1 15 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.615 -0.341 19755 7119 1 15 . 1 1 38 38 GLU H H 38 7.849 7.849 7.731 0.118 19755 7120 1 15 . 1 1 39 39 GLU N N 39 119.119 119.119 119.042 0.077 19755 7121 1 15 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.212 0.017 19755 7122 1 15 . 1 1 39 39 GLU C C 39 179.781 179.781 179.036 0.745 19755 7123 1 15 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.862 1.310 19755 7124 1 15 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.967 1.092 19755 7125 1 15 . 1 1 39 39 GLU H H 39 7.686 7.686 7.947 -0.261 19755 7126 1 15 . 1 1 40 40 LEU N N 40 120.164 120.164 120.568 -0.404 19755 7127 1 15 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.656 0.036 19755 7128 1 15 . 1 1 40 40 LEU C C 40 177.155 177.155 177.805 -0.650 19755 7129 1 15 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.291 -0.027 19755 7130 1 15 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.332 -0.883 19755 7131 1 15 . 1 1 40 40 LEU H H 40 7.739 7.739 7.869 -0.130 19755 7132 1 15 . 1 1 41 41 PHE N N 41 118.207 118.207 116.835 1.372 19755 7133 1 15 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.094 -0.289 19755 7134 1 15 . 1 1 41 41 PHE C C 41 176.387 176.387 177.680 -1.293 19755 7135 1 15 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.724 -0.360 19755 7136 1 15 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.188 -0.119 19755 7137 1 15 . 1 1 41 41 PHE H H 41 7.825 7.825 7.250 0.575 19755 7138 1 15 . 1 1 42 42 TRP N N 42 117.448 117.448 118.387 -0.939 19755 7139 1 15 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.193 -0.069 19755 7140 1 15 . 1 1 42 42 TRP C C 42 179.071 179.071 178.420 0.651 19755 7141 1 15 . 1 1 42 42 TRP CA C 42 60.079 60.079 60.906 -0.827 19755 7142 1 15 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.227 0.227 19755 7143 1 15 . 1 1 42 42 TRP H H 42 8.266 8.266 8.746 -0.480 19755 7144 1 15 . 1 1 43 43 GLU N N 43 120.573 120.573 119.512 1.061 19755 7145 1 15 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.028 0.131 19755 7146 1 15 . 1 1 43 43 GLU C C 43 179.556 179.556 178.582 0.974 19755 7147 1 15 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.407 0.774 19755 7148 1 15 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.073 0.429 19755 7149 1 15 . 1 1 43 43 GLU H H 43 7.918 7.918 7.765 0.153 19755 7150 1 15 . 1 1 44 44 VAL N N 44 119.502 119.502 115.572 3.930 19755 7151 1 15 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.505 -0.060 19755 7152 1 15 . 1 1 44 44 VAL C C 44 178.356 178.356 177.692 0.664 19755 7153 1 15 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.373 1.017 19755 7154 1 15 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.326 -0.106 19755 7155 1 15 . 1 1 44 44 VAL H H 44 7.947 7.947 7.173 0.774 19755 7156 1 15 . 1 1 45 45 MET N N 45 117.691 117.691 118.055 -0.364 19755 7157 1 15 . 1 1 45 45 MET HA H 45 4.118 4.118 4.156 -0.038 19755 7158 1 15 . 1 1 45 45 MET C C 45 179.207 179.207 179.226 -0.019 19755 7159 1 15 . 1 1 45 45 MET CA C 45 56.677 56.677 57.480 -0.803 19755 7160 1 15 . 1 1 45 45 MET CB C 45 31.094 31.094 31.207 -0.113 19755 7161 1 15 . 1 1 45 45 MET H H 45 7.998 7.998 8.198 -0.200 19755 7162 1 15 . 1 1 46 46 ASP N N 46 119.109 119.109 121.164 -2.055 19755 7163 1 15 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.454 0.087 19755 7164 1 15 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.505 -0.562 19755 7165 1 15 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.806 0.623 19755 7166 1 15 . 1 1 46 46 ASP H H 46 7.773 7.773 8.350 -0.577 19755 7167 1 15 . 1 1 47 47 GLU N N 47 118.018 118.018 119.524 -1.506 19755 7168 1 15 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.200 -0.032 19755 7169 1 15 . 1 1 47 47 GLU C C 47 177.957 177.957 177.186 0.771 19755 7170 1 15 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.135 -0.157 19755 7171 1 15 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.277 1.126 19755 7172 1 15 . 1 1 47 47 GLU H H 47 7.608 7.608 8.164 -0.556 19755 7173 1 15 . 1 1 48 48 VAL N N 48 115.277 115.277 117.195 -1.918 19755 7174 1 15 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.090 0.015 19755 7175 1 15 . 1 1 48 48 VAL CA C 48 62.377 62.377 62.550 -0.173 19755 7176 1 15 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.596 1.270 19755 7177 1 15 . 1 1 48 48 VAL H H 48 7.508 7.508 7.488 0.020 19755 7178 1 15 . 1 1 49 49 HIS N N 49 121.222 121.222 122.097 -0.875 19755 7179 1 15 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.130 0.481 19755 7180 1 15 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.733 -2.733 19755 7181 1 15 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.243 -0.714 19755 7182 1 15 . 1 1 49 49 HIS H H 49 8.099 8.099 8.012 0.087 19755 7183 1 15 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.264 -0.042 19755 7184 1 15 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.539 -0.910 19755 7185 1 15 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.404 1.020 19755 7186 1 15 . 1 1 51 51 GLU N N 51 119.589 119.589 117.553 2.036 19755 7187 1 15 . 1 1 51 51 GLU HA H 51 4.234 4.234 3.721 0.513 19755 7188 1 15 . 1 1 51 51 GLU C C 51 176.279 176.279 177.594 -1.315 19755 7189 1 15 . 1 1 51 51 GLU CA C 51 56.547 56.547 56.790 -0.243 19755 7190 1 15 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.770 -0.189 19755 7191 1 15 . 1 1 51 51 GLU H H 51 8.121 8.121 8.156 -0.035 19755 7192 1 15 . 1 1 52 52 GLU N N 52 122.410 122.410 121.045 1.365 19755 7193 1 15 . 1 1 52 52 GLU HA H 52 4.310 4.310 3.777 0.533 19755 7194 1 15 . 1 1 52 52 GLU C C 52 176.127 176.127 177.773 -1.646 19755 7195 1 15 . 1 1 52 52 GLU CA C 52 56.508 56.508 59.099 -2.591 19755 7196 1 15 . 1 1 52 52 GLU CB C 52 30.565 30.565 29.501 1.064 19755 7197 1 15 . 1 1 52 52 GLU H H 52 8.412 8.412 8.261 0.151 19755 7198 1 15 . 1 1 53 53 GLU N N 53 121.407 121.407 117.340 4.067 19755 7199 1 15 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.917 0.377 19755 7200 1 15 . 1 1 53 53 GLU C C 53 176.242 176.242 177.682 -1.440 19755 7201 1 15 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.164 -1.557 19755 7202 1 15 . 1 1 53 53 GLU CB C 53 30.439 30.439 29.052 1.387 19755 7203 1 15 . 1 1 53 53 GLU H H 53 8.361 8.361 7.791 0.570 19755 7204 1 15 . 1 1 54 54 PHE N N 54 121.128 121.128 113.106 8.022 19755 7205 1 15 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.930 -0.336 19755 7206 1 15 . 1 1 54 54 PHE C C 54 176.021 176.021 174.806 1.215 19755 7207 1 15 . 1 1 54 54 PHE CA C 54 57.554 57.554 55.685 1.869 19755 7208 1 15 . 1 1 54 54 PHE CB C 54 40.192 40.192 39.625 0.567 19755 7209 1 15 . 1 1 54 54 PHE H H 54 8.147 8.147 7.310 0.837 19755 7210 1 15 . 1 1 55 55 ALA N N 55 126.124 126.124 122.426 3.698 19755 7211 1 15 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.576 -0.155 19755 7212 1 15 . 1 1 55 55 ALA C C 55 177.391 177.391 176.240 1.151 19755 7213 1 15 . 1 1 55 55 ALA CA C 55 52.373 52.373 51.653 0.721 19755 7214 1 15 . 1 1 55 55 ALA CB C 55 19.512 19.512 21.164 -1.652 19755 7215 1 15 . 1 1 55 55 ALA H H 55 8.124 8.124 8.144 -0.020 19755 7216 1 15 . 1 1 56 56 VAL N N 56 119.019 119.019 121.011 -1.992 19755 7217 1 15 . 1 1 56 56 VAL HA H 56 4.133 4.133 3.978 0.155 19755 7218 1 15 . 1 1 56 56 VAL C C 56 176.128 176.128 175.010 1.118 19755 7219 1 15 . 1 1 56 56 VAL CA C 56 62.306 62.306 63.133 -0.827 19755 7220 1 15 . 1 1 56 56 VAL CB C 56 33.274 33.274 29.529 3.745 19755 7221 1 15 . 1 1 56 56 VAL H H 56 7.958 7.958 7.824 0.135 19755 7222 1 15 . 1 1 57 57 GLU N N 57 124.588 124.588 124.381 0.207 19755 7223 1 15 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.591 -0.096 19755 7224 1 15 . 1 1 57 57 GLU C C 57 176.082 176.082 175.242 0.840 19755 7225 1 15 . 1 1 57 57 GLU CA C 57 56.056 56.056 55.971 0.084 19755 7226 1 15 . 1 1 57 57 GLU CB C 57 31.303 31.303 30.437 0.866 19755 7227 1 15 . 1 1 57 57 GLU H H 57 8.413 8.413 8.304 0.109 19755 7228 1 15 . 1 1 58 58 GLY N N 58 110.794 110.794 108.390 2.404 19755 7229 1 15 . 1 1 58 58 GLY C C 58 170.660 170.660 172.310 -1.650 19755 7230 1 15 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.693 0.164 19755 7231 1 15 . 1 1 58 58 GLY H H 58 8.040 8.040 7.969 0.071 19755 7232 1 15 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.498 -0.067 19755 7233 1 15 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.493 0.595 19755 7234 1 15 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.665 -0.191 19755 7235 1 15 . 1 1 60 60 LEU N N 60 120.609 120.609 119.427 1.182 19755 7236 1 15 . 1 1 60 60 LEU C C 60 176.392 176.392 175.191 1.201 19755 7237 1 15 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.117 -0.193 19755 7238 1 15 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.377 -0.339 19755 7239 1 15 . 1 1 60 60 LEU H H 60 8.367 8.367 8.040 0.327 19755 7240 1 15 . 1 1 61 61 TRP N N 61 124.050 124.050 124.512 -0.462 19755 7241 1 15 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.868 0.093 19755 7242 1 15 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.697 -0.564 19755 7243 1 15 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.343 -2.477 19755 7244 1 15 . 1 1 61 61 TRP H H 61 9.101 9.101 8.324 0.777 19755 7245 1 15 . 1 1 62 62 ILE N N 62 121.315 121.315 120.786 0.529 19755 7246 1 15 . 1 1 62 62 ILE C C 62 174.576 174.576 174.755 -0.179 19755 7247 1 15 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.320 1.236 19755 7248 1 15 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.214 -0.575 19755 7249 1 15 . 1 1 62 62 ILE H H 62 7.863 7.863 8.493 -0.630 19755 7250 1 15 . 1 1 63 63 GLN N N 63 127.300 127.300 125.152 2.148 19755 7251 1 15 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.854 -0.320 19755 7252 1 15 . 1 1 63 63 GLN C C 63 173.768 173.768 173.493 0.275 19755 7253 1 15 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.905 -0.496 19755 7254 1 15 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.330 -3.021 19755 7255 1 15 . 1 1 63 63 GLN H H 63 8.881 8.881 9.077 -0.196 19755 7256 1 15 . 1 1 64 64 VAL N N 64 123.414 123.414 121.212 2.202 19755 7257 1 15 . 1 1 64 64 VAL HA H 64 4.677 4.677 5.002 -0.325 19755 7258 1 15 . 1 1 64 64 VAL C C 64 174.737 174.737 174.007 0.730 19755 7259 1 15 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.503 0.462 19755 7260 1 15 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.502 -1.081 19755 7261 1 15 . 1 1 64 64 VAL H H 64 8.330 8.330 8.418 -0.088 19755 7262 1 15 . 1 1 65 65 GLN N N 65 125.152 125.152 124.310 0.842 19755 7263 1 15 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.713 0.038 19755 7264 1 15 . 1 1 65 65 GLN C C 65 174.043 174.043 174.061 -0.018 19755 7265 1 15 . 1 1 65 65 GLN CA C 65 54.421 54.421 54.111 0.310 19755 7266 1 15 . 1 1 65 65 GLN CB C 65 31.956 31.956 33.108 -1.151 19755 7267 1 15 . 1 1 65 65 GLN H H 65 8.938 8.938 8.919 0.019 19755 7268 1 15 . 1 1 66 66 ALA N N 66 127.534 127.534 124.780 2.754 19755 7269 1 15 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.777 -0.141 19755 7270 1 15 . 1 1 66 66 ALA C C 66 176.740 176.740 176.398 0.342 19755 7271 1 15 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.384 1.417 19755 7272 1 15 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.355 -1.009 19755 7273 1 15 . 1 1 66 66 ALA H H 66 8.808 8.808 8.417 0.391 19755 7274 1 15 . 1 1 67 67 LEU N N 67 124.609 124.609 123.939 0.670 19755 7275 1 15 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.746 0.039 19755 7276 1 15 . 1 1 67 67 LEU C C 67 177.190 177.190 178.202 -1.012 19755 7277 1 15 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.931 -0.346 19755 7278 1 15 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.026 -0.180 19755 7279 1 15 . 1 1 67 67 LEU H H 67 8.541 8.541 8.871 -0.330 19755 7280 1 15 . 1 1 68 68 ASP N N 68 120.713 120.713 120.702 0.011 19755 7281 1 15 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.469 -0.039 19755 7282 1 15 . 1 1 68 68 ASP C C 68 177.319 177.319 176.343 0.976 19755 7283 1 15 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.606 1.484 19755 7284 1 15 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.143 -0.228 19755 7285 1 15 . 1 1 68 68 ASP H H 68 8.539 8.539 8.743 -0.204 19755 7286 1 15 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.358 0.244 19755 7287 1 15 . 1 1 69 69 LYS C C 69 176.282 176.282 174.281 2.001 19755 7288 1 15 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.892 0.925 19755 7289 1 15 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.703 0.860 19755 7290 1 15 . 1 1 70 70 GLY N N 70 110.325 110.325 105.949 4.376 19755 7291 1 15 . 1 1 70 70 GLY C C 70 169.572 169.572 171.376 -1.804 19755 7292 1 15 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.433 -0.068 19755 7293 1 15 . 1 1 70 70 GLY H H 70 6.977 6.977 7.080 -0.103 19755 7294 1 15 . 1 1 71 71 LEU N N 71 116.716 116.716 118.772 -2.056 19755 7295 1 15 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.109 -0.093 19755 7296 1 15 . 1 1 71 71 LEU C C 71 174.299 174.299 175.195 -0.896 19755 7297 1 15 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.435 -1.379 19755 7298 1 15 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.962 -1.070 19755 7299 1 15 . 1 1 71 71 LEU H H 71 8.032 8.032 8.502 -0.470 19755 7300 1 15 . 1 1 72 72 GLU N N 72 120.507 120.507 121.701 -1.194 19755 7301 1 15 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.045 -0.079 19755 7302 1 15 . 1 1 72 72 GLU C C 72 174.588 174.588 175.481 -0.893 19755 7303 1 15 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.929 -0.895 19755 7304 1 15 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.851 1.541 19755 7305 1 15 . 1 1 72 72 GLU H H 72 8.739 8.739 8.612 0.127 19755 7306 1 15 . 1 1 73 73 ILE N N 73 127.226 127.226 123.993 3.233 19755 7307 1 15 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.502 0.024 19755 7308 1 15 . 1 1 73 73 ILE C C 73 173.786 173.786 174.381 -0.595 19755 7309 1 15 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.590 0.838 19755 7310 1 15 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.359 -0.255 19755 7311 1 15 . 1 1 73 73 ILE H H 73 8.755 8.755 8.829 -0.074 19755 7312 1 15 . 1 1 74 74 ILE N N 74 126.107 126.107 128.311 -2.204 19755 7313 1 15 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.644 0.022 19755 7314 1 15 . 1 1 74 74 ILE C C 74 175.304 175.304 174.868 0.436 19755 7315 1 15 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.429 1.379 19755 7316 1 15 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.412 0.020 19755 7317 1 15 . 1 1 74 74 ILE H H 74 8.691 8.691 9.012 -0.321 19755 7318 1 15 . 1 1 75 75 VAL N N 75 128.967 128.967 121.374 7.593 19755 7319 1 15 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.400 -0.795 19755 7320 1 15 . 1 1 75 75 VAL C C 75 174.187 174.187 174.758 -0.571 19755 7321 1 15 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.284 2.136 19755 7322 1 15 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.798 -2.153 19755 7323 1 15 . 1 1 75 75 VAL H H 75 9.178 9.178 9.308 -0.130 19755 7324 1 15 . 1 1 76 76 THR HA H 76 5.743 5.743 5.114 0.629 19755 7325 1 15 . 1 1 76 76 THR CA C 76 59.957 59.957 59.776 0.181 19755 7326 1 15 . 1 1 76 76 THR CB C 76 71.833 71.833 72.096 -0.263 19755 7327 1 15 . 1 1 77 77 LYS N N 77 124.204 124.204 119.906 4.298 19755 7328 1 15 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.929 -0.341 19755 7329 1 15 . 1 1 77 77 LYS CA C 77 55.751 55.751 55.035 0.716 19755 7330 1 15 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.965 -2.018 19755 7331 1 15 . 1 1 77 77 LYS H H 77 8.688 8.688 8.567 0.121 19755 7332 1 15 . 1 1 78 78 ALA N N 78 125.102 125.102 123.247 1.855 19755 7333 1 15 . 1 1 78 78 ALA HA H 78 3.976 3.976 3.994 -0.018 19755 7334 1 15 . 1 1 78 78 ALA C C 78 176.776 176.776 179.027 -2.251 19755 7335 1 15 . 1 1 78 78 ALA CA C 78 52.431 52.431 54.205 -1.774 19755 7336 1 15 . 1 1 78 78 ALA CB C 78 19.542 19.542 18.800 0.742 19755 7337 1 15 . 1 1 78 78 ALA H H 78 8.137 8.137 9.081 -0.944 19755 7338 1 15 . 1 1 79 79 GLN HA H 79 4.085 4.085 3.983 0.102 19755 7339 1 15 . 1 1 79 79 GLN CA C 79 55.540 55.540 57.831 -2.291 19755 7340 1 15 . 1 1 79 79 GLN CB C 79 29.617 29.617 27.932 1.685 19755 7341 1 15 . 1 1 80 80 LEU HA H 80 4.295 4.295 3.909 0.386 19755 7342 1 15 . 1 1 80 80 LEU CA C 80 55.034 55.034 56.315 -1.281 19755 7343 1 15 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.363 -0.043 19755 7344 1 15 . 1 1 81 81 SER N N 81 116.580 116.580 110.326 6.254 19755 7345 1 15 . 1 1 81 81 SER HA H 81 4.291 4.291 4.494 -0.203 19755 7346 1 15 . 1 1 81 81 SER C C 81 174.770 174.770 174.348 0.422 19755 7347 1 15 . 1 1 81 81 SER CA C 81 58.674 58.674 57.494 1.180 19755 7348 1 15 . 1 1 81 81 SER CB C 81 63.931 63.931 63.193 0.738 19755 7349 1 15 . 1 1 81 81 SER H H 81 8.214 8.214 7.743 0.471 19755 7350 1 15 . 1 1 82 82 LYS N N 82 122.968 122.968 121.467 1.501 19755 7351 1 15 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.017 0.266 19755 7352 1 15 . 1 1 82 82 LYS C C 82 176.222 176.222 176.884 -0.662 19755 7353 1 15 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.959 -2.417 19755 7354 1 15 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.654 0.287 19755 7355 1 15 . 1 1 82 82 LYS H H 82 8.255 8.255 8.125 0.130 19755 7356 1 15 . 1 1 83 83 ASP N N 83 120.305 120.305 114.850 5.455 19755 7357 1 15 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.542 0.004 19755 7358 1 15 . 1 1 83 83 ASP C C 83 176.527 176.527 177.298 -0.771 19755 7359 1 15 . 1 1 83 83 ASP CA C 83 54.864 54.864 54.362 0.502 19755 7360 1 15 . 1 1 83 83 ASP CB C 83 41.156 41.156 41.641 -0.485 19755 7361 1 15 . 1 1 83 83 ASP H H 83 8.158 8.158 8.132 0.026 19755 7362 1 15 . 1 1 84 84 LEU N N 84 121.499 121.499 118.630 2.869 19755 7363 1 15 . 1 1 84 84 LEU HA H 84 4.183 4.183 3.949 0.234 19755 7364 1 15 . 1 1 84 84 LEU C C 84 177.585 177.585 176.105 1.480 19755 7365 1 15 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.422 -0.380 19755 7366 1 15 . 1 1 84 84 LEU CB C 84 42.379 42.379 41.077 1.302 19755 7367 1 15 . 1 1 84 84 LEU H H 84 7.955 7.955 8.376 -0.421 19755 7368 1 15 . 1 1 85 85 ASP N N 85 119.668 119.668 119.922 -0.254 19755 7369 1 15 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.481 0.019 19755 7370 1 15 . 1 1 85 85 ASP C C 85 176.445 176.445 176.648 -0.203 19755 7371 1 15 . 1 1 85 85 ASP CA C 85 55.143 55.143 55.517 -0.374 19755 7372 1 15 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.289 -0.173 19755 7373 1 15 . 1 1 85 85 ASP H H 85 8.207 8.207 7.918 0.289 19755 7374 1 15 . 1 1 86 86 LYS N N 86 119.760 119.760 119.102 0.658 19755 7375 1 15 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.272 -0.019 19755 7376 1 15 . 1 1 86 86 LYS C C 86 176.336 176.336 176.048 0.288 19755 7377 1 15 . 1 1 86 86 LYS CA C 86 56.519 56.519 56.631 -0.112 19755 7378 1 15 . 1 1 86 86 LYS CB C 86 33.072 33.072 33.030 0.042 19755 7379 1 15 . 1 1 86 86 LYS H H 86 7.843 7.843 8.208 -0.365 19755 7380 1 15 . 1 1 87 87 LEU N N 87 122.086 122.086 121.652 0.434 19755 7381 1 15 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.657 -0.348 19755 7382 1 15 . 1 1 87 87 LEU C C 87 176.952 176.952 175.889 1.063 19755 7383 1 15 . 1 1 87 87 LEU CA C 87 55.369 55.369 53.802 1.567 19755 7384 1 15 . 1 1 87 87 LEU CB C 87 42.407 42.407 44.737 -2.330 19755 7385 1 15 . 1 1 87 87 LEU H H 87 8.008 8.008 8.003 0.005 19755 7386 1 15 . 1 1 88 88 VAL N N 88 122.409 122.409 120.585 1.824 19755 7387 1 15 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.371 0.003 19755 7388 1 15 . 1 1 88 88 VAL C C 88 174.225 174.225 174.580 -0.355 19755 7389 1 15 . 1 1 88 88 VAL CA C 88 59.992 59.992 61.218 -1.226 19755 7390 1 15 . 1 1 88 88 VAL CB C 88 32.946 32.946 31.482 1.464 19755 7391 1 15 . 1 1 88 88 VAL H H 88 7.919 7.919 8.256 -0.337 19755 7392 1 15 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.501 -0.131 19755 7393 1 15 . 1 1 89 89 PRO C C 89 176.035 176.035 175.987 0.048 19755 7394 1 15 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.211 0.382 19755 7395 1 15 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.141 0.077 19755 7396 1 16 . 1 1 2 2 GLU N N 2 123.952 123.952 121.664 2.288 19755 7397 1 16 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.838 -0.157 19755 7398 1 16 . 1 1 2 2 GLU C C 2 174.704 174.704 175.711 -1.007 19755 7399 1 16 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.096 0.770 19755 7400 1 16 . 1 1 2 2 GLU CB C 2 32.406 32.406 29.792 2.614 19755 7401 1 16 . 1 1 2 2 GLU H H 2 8.571 8.571 8.751 -0.180 19755 7402 1 16 . 1 1 3 3 ILE N N 3 121.558 121.558 122.862 -1.304 19755 7403 1 16 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.386 0.326 19755 7404 1 16 . 1 1 3 3 ILE C C 3 174.736 174.736 176.752 -2.016 19755 7405 1 16 . 1 1 3 3 ILE CA C 3 60.277 60.277 60.824 -0.547 19755 7406 1 16 . 1 1 3 3 ILE CB C 3 40.861 40.861 38.100 2.761 19755 7407 1 16 . 1 1 3 3 ILE H H 3 8.565 8.565 8.322 0.243 19755 7408 1 16 . 1 1 4 4 GLU N N 4 126.319 126.319 126.134 0.185 19755 7409 1 16 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.637 -0.076 19755 7410 1 16 . 1 1 4 4 GLU C C 4 174.708 174.708 174.522 0.186 19755 7411 1 16 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.843 0.385 19755 7412 1 16 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.640 -0.631 19755 7413 1 16 . 1 1 4 4 GLU H H 4 9.153 9.153 8.974 0.179 19755 7414 1 16 . 1 1 5 5 ARG N N 5 127.727 127.727 125.883 1.844 19755 7415 1 16 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.635 -0.075 19755 7416 1 16 . 1 1 5 5 ARG C C 5 175.807 175.807 176.341 -0.534 19755 7417 1 16 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.657 0.466 19755 7418 1 16 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.711 -0.058 19755 7419 1 16 . 1 1 5 5 ARG H H 5 9.002 9.002 8.815 0.187 19755 7420 1 16 . 1 1 6 6 ILE N N 6 129.149 129.149 126.590 2.559 19755 7421 1 16 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.820 0.084 19755 7422 1 16 . 1 1 6 6 ILE C C 6 176.468 176.468 176.526 -0.058 19755 7423 1 16 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.965 0.006 19755 7424 1 16 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.708 0.454 19755 7425 1 16 . 1 1 6 6 ILE H H 6 8.030 8.030 8.467 -0.437 19755 7426 1 16 . 1 1 7 7 ASN N N 7 112.808 112.808 115.874 -3.066 19755 7427 1 16 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.798 -0.239 19755 7428 1 16 . 1 1 7 7 ASN C C 7 175.254 175.254 173.693 1.561 19755 7429 1 16 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.867 0.986 19755 7430 1 16 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.237 -0.962 19755 7431 1 16 . 1 1 7 7 ASN H H 7 8.147 8.147 7.716 0.431 19755 7432 1 16 . 1 1 8 8 GLU N N 8 121.087 121.087 116.264 4.823 19755 7433 1 16 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.089 -0.039 19755 7434 1 16 . 1 1 8 8 GLU C C 8 176.486 176.486 176.184 0.302 19755 7435 1 16 . 1 1 8 8 GLU CA C 8 59.802 59.802 57.112 2.690 19755 7436 1 16 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.247 0.204 19755 7437 1 16 . 1 1 8 8 GLU H H 8 8.770 8.770 8.644 0.126 19755 7438 1 16 . 1 1 9 9 HIS N N 9 113.719 113.719 116.300 -2.581 19755 7439 1 16 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.747 0.218 19755 7440 1 16 . 1 1 9 9 HIS CA C 9 55.805 55.805 57.115 -1.310 19755 7441 1 16 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.879 0.105 19755 7442 1 16 . 1 1 9 9 HIS H H 9 7.921 7.921 8.342 -0.421 19755 7443 1 16 . 1 1 10 10 THR N N 10 116.218 116.218 118.779 -2.561 19755 7444 1 16 . 1 1 10 10 THR HA H 10 5.736 5.736 4.950 0.786 19755 7445 1 16 . 1 1 10 10 THR C C 10 173.396 173.396 173.728 -0.332 19755 7446 1 16 . 1 1 10 10 THR CA C 10 62.820 62.820 64.463 -1.643 19755 7447 1 16 . 1 1 10 10 THR CB C 10 71.465 71.465 69.500 1.965 19755 7448 1 16 . 1 1 10 10 THR H H 10 7.349 7.349 9.050 -1.701 19755 7449 1 16 . 1 1 11 11 VAL N N 11 124.880 124.880 120.910 3.970 19755 7450 1 16 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.010 -0.153 19755 7451 1 16 . 1 1 11 11 VAL C C 11 172.156 172.156 173.662 -1.506 19755 7452 1 16 . 1 1 11 11 VAL CA C 11 59.876 59.876 58.908 0.968 19755 7453 1 16 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.093 0.893 19755 7454 1 16 . 1 1 11 11 VAL H H 11 9.043 9.043 8.893 0.150 19755 7455 1 16 . 1 1 12 12 LYS N N 12 124.164 124.164 119.476 4.688 19755 7456 1 16 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.374 0.210 19755 7457 1 16 . 1 1 12 12 LYS C C 12 173.380 173.380 174.900 -1.520 19755 7458 1 16 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.543 -0.338 19755 7459 1 16 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.844 0.613 19755 7460 1 16 . 1 1 12 12 LYS H H 12 8.884 8.884 8.353 0.531 19755 7461 1 16 . 1 1 13 13 PHE N N 13 124.228 124.228 113.951 10.277 19755 7462 1 16 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.494 -0.166 19755 7463 1 16 . 1 1 13 13 PHE C C 13 172.237 172.237 173.053 -0.816 19755 7464 1 16 . 1 1 13 13 PHE CA C 13 55.986 55.986 55.965 0.021 19755 7465 1 16 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.101 -0.185 19755 7466 1 16 . 1 1 13 13 PHE H H 13 8.989 8.989 8.768 0.221 19755 7467 1 16 . 1 1 14 14 TYR N N 14 121.263 121.263 122.558 -1.295 19755 7468 1 16 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.298 0.089 19755 7469 1 16 . 1 1 14 14 TYR C C 14 174.713 174.713 173.843 0.870 19755 7470 1 16 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.979 -0.026 19755 7471 1 16 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.022 -0.514 19755 7472 1 16 . 1 1 14 14 TYR H H 14 8.670 8.670 8.867 -0.197 19755 7473 1 16 . 1 1 15 15 MET N N 15 124.869 124.869 126.670 -1.801 19755 7474 1 16 . 1 1 15 15 MET HA H 15 4.417 4.417 4.704 -0.287 19755 7475 1 16 . 1 1 15 15 MET C C 15 173.614 173.614 173.688 -0.074 19755 7476 1 16 . 1 1 15 15 MET CA C 15 54.305 54.305 54.410 -0.104 19755 7477 1 16 . 1 1 15 15 MET CB C 15 37.439 37.439 35.686 1.753 19755 7478 1 16 . 1 1 15 15 MET H H 15 7.927 7.927 8.607 -0.680 19755 7479 1 16 . 1 1 16 16 SER N N 16 120.626 120.626 123.208 -2.582 19755 7480 1 16 . 1 1 16 16 SER HA H 16 4.396 4.396 4.275 0.121 19755 7481 1 16 . 1 1 16 16 SER C C 16 175.508 175.508 176.014 -0.506 19755 7482 1 16 . 1 1 16 16 SER CA C 16 57.637 57.637 58.672 -1.035 19755 7483 1 16 . 1 1 16 16 SER CB C 16 65.033 65.033 63.817 1.216 19755 7484 1 16 . 1 1 16 16 SER H H 16 9.061 9.061 8.442 0.619 19755 7485 1 16 . 1 1 17 17 TYR N N 17 119.917 119.917 124.391 -4.474 19755 7486 1 16 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.277 0.083 19755 7487 1 16 . 1 1 17 17 TYR C C 17 178.684 178.684 178.172 0.512 19755 7488 1 16 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.477 1.479 19755 7489 1 16 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.664 -0.676 19755 7490 1 16 . 1 1 17 17 TYR H H 17 8.411 8.411 8.585 -0.174 19755 7491 1 16 . 1 1 18 18 GLY N N 18 107.011 107.011 104.707 2.304 19755 7492 1 16 . 1 1 18 18 GLY C C 18 175.454 175.454 175.718 -0.264 19755 7493 1 16 . 1 1 18 18 GLY CA C 18 47.446 47.446 45.678 1.768 19755 7494 1 16 . 1 1 18 18 GLY H H 18 8.534 8.534 8.705 -0.171 19755 7495 1 16 . 1 1 19 19 ASP N N 19 122.947 122.947 122.647 0.300 19755 7496 1 16 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.457 -0.065 19755 7497 1 16 . 1 1 19 19 ASP C C 19 179.020 179.020 178.041 0.979 19755 7498 1 16 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.444 -0.001 19755 7499 1 16 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.076 -0.162 19755 7500 1 16 . 1 1 19 19 ASP H H 19 7.788 7.788 8.005 -0.217 19755 7501 1 16 . 1 1 20 20 ILE N N 20 119.114 119.114 120.095 -0.981 19755 7502 1 16 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.750 -0.222 19755 7503 1 16 . 1 1 20 20 ILE C C 20 177.939 177.939 177.933 0.006 19755 7504 1 16 . 1 1 20 20 ILE CA C 20 66.310 66.310 65.010 1.300 19755 7505 1 16 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.103 0.783 19755 7506 1 16 . 1 1 20 20 ILE H H 20 7.762 7.762 7.551 0.211 19755 7507 1 16 . 1 1 21 21 GLU N N 21 119.999 119.999 119.579 0.420 19755 7508 1 16 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.210 0.372 19755 7509 1 16 . 1 1 21 21 GLU C C 21 181.888 181.888 178.964 2.924 19755 7510 1 16 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.005 0.202 19755 7511 1 16 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.453 -0.039 19755 7512 1 16 . 1 1 21 21 GLU H H 21 8.113 8.113 8.324 -0.211 19755 7513 1 16 . 1 1 22 22 ASP N N 22 122.667 122.667 119.745 2.922 19755 7514 1 16 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.471 0.003 19755 7515 1 16 . 1 1 22 22 ASP C C 22 178.184 178.184 178.318 -0.134 19755 7516 1 16 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.355 0.980 19755 7517 1 16 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.007 -0.140 19755 7518 1 16 . 1 1 22 22 ASP H H 22 8.699 8.699 7.722 0.977 19755 7519 1 16 . 1 1 23 23 ARG N N 23 116.862 116.862 117.146 -0.284 19755 7520 1 16 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.315 0.029 19755 7521 1 16 . 1 1 23 23 ARG C C 23 176.101 176.101 176.829 -0.728 19755 7522 1 16 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.711 -0.059 19755 7523 1 16 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.715 0.082 19755 7524 1 16 . 1 1 23 23 ARG H H 23 7.380 7.380 8.178 -0.798 19755 7525 1 16 . 1 1 24 24 GLY N N 24 106.318 106.318 105.782 0.536 19755 7526 1 16 . 1 1 24 24 GLY C C 24 174.117 174.117 174.546 -0.429 19755 7527 1 16 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.259 0.234 19755 7528 1 16 . 1 1 24 24 GLY H H 24 8.004 8.004 7.778 0.226 19755 7529 1 16 . 1 1 25 25 PHE N N 25 118.274 118.274 120.121 -1.847 19755 7530 1 16 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.687 -0.065 19755 7531 1 16 . 1 1 25 25 PHE C C 25 174.127 174.127 174.883 -0.756 19755 7532 1 16 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.374 -0.444 19755 7533 1 16 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.044 1.827 19755 7534 1 16 . 1 1 25 25 PHE H H 25 7.550 7.550 8.230 -0.680 19755 7535 1 16 . 1 1 26 26 ASP N N 26 121.320 121.320 117.696 3.624 19755 7536 1 16 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.950 -0.056 19755 7537 1 16 . 1 1 26 26 ASP C C 26 177.370 177.370 177.127 0.243 19755 7538 1 16 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.694 0.413 19755 7539 1 16 . 1 1 26 26 ASP CB C 26 44.066 44.066 44.066 -0.000 19755 7540 1 16 . 1 1 26 26 ASP H H 26 8.891 8.891 8.441 0.450 19755 7541 1 16 . 1 1 27 27 ARG N N 27 124.100 124.100 122.807 1.293 19755 7542 1 16 . 1 1 27 27 ARG HA H 27 3.842 3.842 4.017 -0.175 19755 7543 1 16 . 1 1 27 27 ARG C C 27 176.201 176.201 177.500 -1.299 19755 7544 1 16 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.211 0.646 19755 7545 1 16 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.194 -0.519 19755 7546 1 16 . 1 1 27 27 ARG H H 27 9.033 9.033 8.699 0.334 19755 7547 1 16 . 1 1 28 28 GLU N N 28 118.451 118.451 118.753 -0.302 19755 7548 1 16 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.470 -0.433 19755 7549 1 16 . 1 1 28 28 GLU C C 28 178.889 178.889 179.213 -0.324 19755 7550 1 16 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.068 0.187 19755 7551 1 16 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.278 0.172 19755 7552 1 16 . 1 1 28 28 GLU H H 28 8.362 8.362 8.529 -0.167 19755 7553 1 16 . 1 1 29 29 GLU N N 29 118.302 118.302 120.621 -2.319 19755 7554 1 16 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.215 -0.130 19755 7555 1 16 . 1 1 29 29 GLU C C 29 178.137 178.137 178.810 -0.673 19755 7556 1 16 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.069 -0.109 19755 7557 1 16 . 1 1 29 29 GLU CB C 29 30.452 30.452 28.983 1.469 19755 7558 1 16 . 1 1 29 29 GLU H H 29 7.821 7.821 8.469 -0.648 19755 7559 1 16 . 1 1 30 30 ILE N N 30 115.456 115.456 119.154 -3.698 19755 7560 1 16 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.574 0.053 19755 7561 1 16 . 1 1 30 30 ILE C C 30 176.229 176.229 177.682 -1.453 19755 7562 1 16 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.680 -3.617 19755 7563 1 16 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.742 -0.802 19755 7564 1 16 . 1 1 30 30 ILE H H 30 7.363 7.363 8.349 -0.986 19755 7565 1 16 . 1 1 31 31 TRP N N 31 116.714 116.714 115.813 0.901 19755 7566 1 16 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.312 -0.162 19755 7567 1 16 . 1 1 31 31 TRP C C 31 178.092 178.092 176.670 1.422 19755 7568 1 16 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.143 1.475 19755 7569 1 16 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.119 0.509 19755 7570 1 16 . 1 1 31 31 TRP H H 31 7.410 7.410 7.452 -0.042 19755 7571 1 16 . 1 1 32 32 TYR N N 32 112.769 112.769 114.160 -1.391 19755 7572 1 16 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.731 0.035 19755 7573 1 16 . 1 1 32 32 TYR C C 32 175.767 175.767 175.422 0.345 19755 7574 1 16 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.555 1.077 19755 7575 1 16 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.089 1.133 19755 7576 1 16 . 1 1 32 32 TYR H H 32 7.577 7.577 7.231 0.346 19755 7577 1 16 . 1 1 33 33 ASN N N 33 120.521 120.521 119.991 0.530 19755 7578 1 16 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.083 -0.035 19755 7579 1 16 . 1 1 33 33 ASN C C 33 174.851 174.851 174.696 0.155 19755 7580 1 16 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.797 -0.477 19755 7581 1 16 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.407 -0.194 19755 7582 1 16 . 1 1 33 33 ASN H H 33 8.364 8.364 8.009 0.355 19755 7583 1 16 . 1 1 34 34 ARG N N 34 126.163 126.163 125.393 0.770 19755 7584 1 16 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.921 0.264 19755 7585 1 16 . 1 1 34 34 ARG C C 34 178.509 178.509 177.909 0.600 19755 7586 1 16 . 1 1 34 34 ARG CA C 34 58.504 58.504 60.239 -1.735 19755 7587 1 16 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.439 -0.946 19755 7588 1 16 . 1 1 34 34 ARG H H 34 8.830 8.830 8.951 -0.121 19755 7589 1 16 . 1 1 35 35 GLU N N 35 118.994 118.994 116.052 2.942 19755 7590 1 16 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.239 -0.079 19755 7591 1 16 . 1 1 35 35 GLU C C 35 179.839 179.839 178.380 1.459 19755 7592 1 16 . 1 1 35 35 GLU CA C 35 60.191 60.191 58.857 1.334 19755 7593 1 16 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.783 0.650 19755 7594 1 16 . 1 1 35 35 GLU H H 35 8.380 8.380 8.784 -0.404 19755 7595 1 16 . 1 1 36 36 ARG N N 36 119.197 119.197 119.643 -0.446 19755 7596 1 16 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.509 -0.109 19755 7597 1 16 . 1 1 36 36 ARG C C 36 178.217 178.217 178.548 -0.331 19755 7598 1 16 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.387 1.007 19755 7599 1 16 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.784 -0.249 19755 7600 1 16 . 1 1 36 36 ARG H H 36 7.686 7.686 7.988 -0.302 19755 7601 1 16 . 1 1 37 37 SER N N 37 114.607 114.607 116.309 -1.702 19755 7602 1 16 . 1 1 37 37 SER HA H 37 3.899 3.899 4.022 -0.123 19755 7603 1 16 . 1 1 37 37 SER C C 37 178.298 178.298 176.232 2.066 19755 7604 1 16 . 1 1 37 37 SER CA C 37 62.455 62.455 61.845 0.610 19755 7605 1 16 . 1 1 37 37 SER CB C 37 62.542 62.542 62.602 -0.060 19755 7606 1 16 . 1 1 37 37 SER H H 37 8.282 8.282 8.216 0.066 19755 7607 1 16 . 1 1 38 38 GLU N N 38 121.063 121.063 122.275 -1.212 19755 7608 1 16 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.194 -0.438 19755 7609 1 16 . 1 1 38 38 GLU C C 38 177.182 177.182 178.694 -1.512 19755 7610 1 16 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.758 0.540 19755 7611 1 16 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.537 -0.263 19755 7612 1 16 . 1 1 38 38 GLU H H 38 7.849 7.849 7.689 0.160 19755 7613 1 16 . 1 1 39 39 GLU N N 39 119.119 119.119 118.827 0.292 19755 7614 1 16 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.218 0.011 19755 7615 1 16 . 1 1 39 39 GLU C C 39 179.781 179.781 178.652 1.129 19755 7616 1 16 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.701 1.471 19755 7617 1 16 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.938 1.121 19755 7618 1 16 . 1 1 39 39 GLU H H 39 7.686 7.686 7.945 -0.259 19755 7619 1 16 . 1 1 40 40 LEU N N 40 120.164 120.164 120.697 -0.533 19755 7620 1 16 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.618 0.074 19755 7621 1 16 . 1 1 40 40 LEU C C 40 177.155 177.155 177.683 -0.528 19755 7622 1 16 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.572 -0.308 19755 7623 1 16 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.210 -0.761 19755 7624 1 16 . 1 1 40 40 LEU H H 40 7.739 7.739 7.639 0.100 19755 7625 1 16 . 1 1 41 41 PHE N N 41 118.207 118.207 116.631 1.576 19755 7626 1 16 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.082 -0.277 19755 7627 1 16 . 1 1 41 41 PHE C C 41 176.387 176.387 177.726 -1.339 19755 7628 1 16 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.729 -0.365 19755 7629 1 16 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.105 -0.036 19755 7630 1 16 . 1 1 41 41 PHE H H 41 7.825 7.825 7.285 0.540 19755 7631 1 16 . 1 1 42 42 TRP N N 42 117.448 117.448 119.421 -1.973 19755 7632 1 16 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.189 -0.065 19755 7633 1 16 . 1 1 42 42 TRP C C 42 179.071 179.071 178.776 0.295 19755 7634 1 16 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.071 -0.992 19755 7635 1 16 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.263 0.191 19755 7636 1 16 . 1 1 42 42 TRP H H 42 8.266 8.266 8.673 -0.407 19755 7637 1 16 . 1 1 43 43 GLU N N 43 120.573 120.573 118.278 2.295 19755 7638 1 16 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.052 0.107 19755 7639 1 16 . 1 1 43 43 GLU C C 43 179.556 179.556 179.149 0.407 19755 7640 1 16 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.477 0.704 19755 7641 1 16 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.273 0.229 19755 7642 1 16 . 1 1 43 43 GLU H H 43 7.918 7.918 7.854 0.064 19755 7643 1 16 . 1 1 44 44 VAL N N 44 119.502 119.502 116.831 2.671 19755 7644 1 16 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.648 -0.203 19755 7645 1 16 . 1 1 44 44 VAL C C 44 178.356 178.356 177.549 0.807 19755 7646 1 16 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.385 1.005 19755 7647 1 16 . 1 1 44 44 VAL CB C 44 31.220 31.220 30.932 0.288 19755 7648 1 16 . 1 1 44 44 VAL H H 44 7.947 7.947 7.496 0.451 19755 7649 1 16 . 1 1 45 45 MET N N 45 117.691 117.691 118.935 -1.244 19755 7650 1 16 . 1 1 45 45 MET HA H 45 4.118 4.118 4.177 -0.059 19755 7651 1 16 . 1 1 45 45 MET C C 45 179.207 179.207 178.407 0.800 19755 7652 1 16 . 1 1 45 45 MET CA C 45 56.677 56.677 56.860 -0.183 19755 7653 1 16 . 1 1 45 45 MET CB C 45 31.094 31.094 32.128 -1.034 19755 7654 1 16 . 1 1 45 45 MET H H 45 7.998 7.998 8.211 -0.213 19755 7655 1 16 . 1 1 46 46 ASP N N 46 119.109 119.109 120.833 -1.724 19755 7656 1 16 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.369 0.172 19755 7657 1 16 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.433 -0.491 19755 7658 1 16 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.833 0.595 19755 7659 1 16 . 1 1 46 46 ASP H H 46 7.773 7.773 8.176 -0.403 19755 7660 1 16 . 1 1 47 47 GLU N N 47 118.018 118.018 116.550 1.468 19755 7661 1 16 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.161 0.007 19755 7662 1 16 . 1 1 47 47 GLU C C 47 177.957 177.957 177.494 0.463 19755 7663 1 16 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.172 -0.195 19755 7664 1 16 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.850 0.553 19755 7665 1 16 . 1 1 47 47 GLU H H 47 7.608 7.608 7.766 -0.158 19755 7666 1 16 . 1 1 48 48 VAL N N 48 115.277 115.277 115.169 0.108 19755 7667 1 16 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.223 -0.118 19755 7668 1 16 . 1 1 48 48 VAL CA C 48 62.377 62.377 62.404 -0.027 19755 7669 1 16 . 1 1 48 48 VAL CB C 48 33.866 33.866 33.441 0.425 19755 7670 1 16 . 1 1 48 48 VAL H H 48 7.508 7.508 7.752 -0.244 19755 7671 1 16 . 1 1 49 49 HIS N N 49 121.222 121.222 122.444 -1.222 19755 7672 1 16 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.199 0.412 19755 7673 1 16 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.241 -2.241 19755 7674 1 16 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.100 -0.571 19755 7675 1 16 . 1 1 49 49 HIS H H 49 8.099 8.099 8.225 -0.126 19755 7676 1 16 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.276 -0.054 19755 7677 1 16 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.374 -0.745 19755 7678 1 16 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.506 0.917 19755 7679 1 16 . 1 1 51 51 GLU N N 51 119.589 119.589 115.541 4.048 19755 7680 1 16 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.546 -0.312 19755 7681 1 16 . 1 1 51 51 GLU C C 51 176.279 176.279 175.676 0.603 19755 7682 1 16 . 1 1 51 51 GLU CA C 51 56.547 56.547 56.372 0.175 19755 7683 1 16 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.398 0.183 19755 7684 1 16 . 1 1 51 51 GLU H H 51 8.121 8.121 7.964 0.157 19755 7685 1 16 . 1 1 52 52 GLU N N 52 122.410 122.410 117.119 5.291 19755 7686 1 16 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.080 0.230 19755 7687 1 16 . 1 1 52 52 GLU C C 52 176.127 176.127 177.289 -1.162 19755 7688 1 16 . 1 1 52 52 GLU CA C 52 56.508 56.508 56.316 0.192 19755 7689 1 16 . 1 1 52 52 GLU CB C 52 30.565 30.565 31.604 -1.039 19755 7690 1 16 . 1 1 52 52 GLU H H 52 8.412 8.412 7.707 0.705 19755 7691 1 16 . 1 1 53 53 GLU N N 53 121.407 121.407 120.496 0.911 19755 7692 1 16 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.890 0.404 19755 7693 1 16 . 1 1 53 53 GLU C C 53 176.242 176.242 177.208 -0.966 19755 7694 1 16 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.878 -2.271 19755 7695 1 16 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.860 1.579 19755 7696 1 16 . 1 1 53 53 GLU H H 53 8.361 8.361 7.979 0.382 19755 7697 1 16 . 1 1 54 54 PHE N N 54 121.128 121.128 110.884 10.244 19755 7698 1 16 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.846 -0.252 19755 7699 1 16 . 1 1 54 54 PHE C C 54 176.021 176.021 174.260 1.761 19755 7700 1 16 . 1 1 54 54 PHE CA C 54 57.554 57.554 55.398 2.155 19755 7701 1 16 . 1 1 54 54 PHE CB C 54 40.192 40.192 38.448 1.744 19755 7702 1 16 . 1 1 54 54 PHE H H 54 8.147 8.147 6.919 1.228 19755 7703 1 16 . 1 1 55 55 ALA N N 55 126.124 126.124 120.712 5.412 19755 7704 1 16 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.581 -0.160 19755 7705 1 16 . 1 1 55 55 ALA C C 55 177.391 177.391 176.789 0.602 19755 7706 1 16 . 1 1 55 55 ALA CA C 55 52.373 52.373 51.931 0.442 19755 7707 1 16 . 1 1 55 55 ALA CB C 55 19.512 19.512 21.316 -1.804 19755 7708 1 16 . 1 1 55 55 ALA H H 55 8.124 8.124 7.740 0.384 19755 7709 1 16 . 1 1 56 56 VAL N N 56 119.019 119.019 121.660 -2.641 19755 7710 1 16 . 1 1 56 56 VAL HA H 56 4.133 4.133 3.948 0.185 19755 7711 1 16 . 1 1 56 56 VAL C C 56 176.128 176.128 174.846 1.282 19755 7712 1 16 . 1 1 56 56 VAL CA C 56 62.306 62.306 63.320 -1.014 19755 7713 1 16 . 1 1 56 56 VAL CB C 56 33.274 33.274 29.351 3.923 19755 7714 1 16 . 1 1 56 56 VAL H H 56 7.958 7.958 7.799 0.159 19755 7715 1 16 . 1 1 57 57 GLU N N 57 124.588 124.588 122.985 1.603 19755 7716 1 16 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.542 -0.047 19755 7717 1 16 . 1 1 57 57 GLU C C 57 176.082 176.082 175.343 0.739 19755 7718 1 16 . 1 1 57 57 GLU CA C 57 56.056 56.056 56.145 -0.089 19755 7719 1 16 . 1 1 57 57 GLU CB C 57 31.303 31.303 30.345 0.958 19755 7720 1 16 . 1 1 57 57 GLU H H 57 8.413 8.413 8.178 0.235 19755 7721 1 16 . 1 1 58 58 GLY N N 58 110.794 110.794 108.907 1.887 19755 7722 1 16 . 1 1 58 58 GLY C C 58 170.660 170.660 172.637 -1.977 19755 7723 1 16 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.671 0.186 19755 7724 1 16 . 1 1 58 58 GLY H H 58 8.040 8.040 7.783 0.257 19755 7725 1 16 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.461 -0.030 19755 7726 1 16 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.735 0.353 19755 7727 1 16 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.645 -0.171 19755 7728 1 16 . 1 1 60 60 LEU N N 60 120.609 120.609 119.966 0.643 19755 7729 1 16 . 1 1 60 60 LEU C C 60 176.392 176.392 174.577 1.815 19755 7730 1 16 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.492 -0.569 19755 7731 1 16 . 1 1 60 60 LEU CB C 60 45.038 45.038 44.994 0.044 19755 7732 1 16 . 1 1 60 60 LEU H H 60 8.367 8.367 7.916 0.451 19755 7733 1 16 . 1 1 61 61 TRP N N 61 124.050 124.050 125.194 -1.144 19755 7734 1 16 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.896 0.065 19755 7735 1 16 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.829 -0.696 19755 7736 1 16 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.346 -2.480 19755 7737 1 16 . 1 1 61 61 TRP H H 61 9.101 9.101 8.235 0.866 19755 7738 1 16 . 1 1 62 62 ILE N N 62 121.315 121.315 122.107 -0.792 19755 7739 1 16 . 1 1 62 62 ILE C C 62 174.576 174.576 174.931 -0.355 19755 7740 1 16 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.990 0.566 19755 7741 1 16 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.044 -0.405 19755 7742 1 16 . 1 1 62 62 ILE H H 62 7.863 7.863 8.484 -0.621 19755 7743 1 16 . 1 1 63 63 GLN N N 63 127.300 127.300 124.329 2.971 19755 7744 1 16 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.939 -0.405 19755 7745 1 16 . 1 1 63 63 GLN C C 63 173.768 173.768 173.423 0.345 19755 7746 1 16 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.658 -0.249 19755 7747 1 16 . 1 1 63 63 GLN CB C 63 30.309 30.309 32.865 -2.557 19755 7748 1 16 . 1 1 63 63 GLN H H 63 8.881 8.881 9.328 -0.447 19755 7749 1 16 . 1 1 64 64 VAL N N 64 123.414 123.414 119.000 4.414 19755 7750 1 16 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.937 -0.260 19755 7751 1 16 . 1 1 64 64 VAL C C 64 174.737 174.737 174.077 0.660 19755 7752 1 16 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.225 0.740 19755 7753 1 16 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.700 -1.280 19755 7754 1 16 . 1 1 64 64 VAL H H 64 8.330 8.330 8.357 -0.027 19755 7755 1 16 . 1 1 65 65 GLN N N 65 125.152 125.152 123.191 1.961 19755 7756 1 16 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.682 0.069 19755 7757 1 16 . 1 1 65 65 GLN C C 65 174.043 174.043 174.106 -0.063 19755 7758 1 16 . 1 1 65 65 GLN CA C 65 54.421 54.421 54.200 0.221 19755 7759 1 16 . 1 1 65 65 GLN CB C 65 31.956 31.956 33.147 -1.190 19755 7760 1 16 . 1 1 65 65 GLN H H 65 8.938 8.938 8.872 0.066 19755 7761 1 16 . 1 1 66 66 ALA N N 66 127.534 127.534 124.780 2.754 19755 7762 1 16 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.774 -0.138 19755 7763 1 16 . 1 1 66 66 ALA C C 66 176.740 176.740 176.328 0.412 19755 7764 1 16 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.304 1.497 19755 7765 1 16 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.454 -1.108 19755 7766 1 16 . 1 1 66 66 ALA H H 66 8.808 8.808 8.387 0.421 19755 7767 1 16 . 1 1 67 67 LEU N N 67 124.609 124.609 124.106 0.503 19755 7768 1 16 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.747 0.038 19755 7769 1 16 . 1 1 67 67 LEU C C 67 177.190 177.190 178.197 -1.007 19755 7770 1 16 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.921 -0.336 19755 7771 1 16 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.022 -0.176 19755 7772 1 16 . 1 1 67 67 LEU H H 67 8.541 8.541 8.875 -0.334 19755 7773 1 16 . 1 1 68 68 ASP N N 68 120.713 120.713 119.851 0.862 19755 7774 1 16 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.478 -0.048 19755 7775 1 16 . 1 1 68 68 ASP C C 68 177.319 177.319 176.354 0.965 19755 7776 1 16 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.511 1.579 19755 7777 1 16 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.218 -0.302 19755 7778 1 16 . 1 1 68 68 ASP H H 68 8.539 8.539 8.762 -0.223 19755 7779 1 16 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.310 0.292 19755 7780 1 16 . 1 1 69 69 LYS C C 69 176.282 176.282 174.257 2.025 19755 7781 1 16 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.739 1.078 19755 7782 1 16 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.251 1.312 19755 7783 1 16 . 1 1 70 70 GLY N N 70 110.325 110.325 105.921 4.404 19755 7784 1 16 . 1 1 70 70 GLY C C 70 169.572 169.572 171.423 -1.851 19755 7785 1 16 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.429 -0.064 19755 7786 1 16 . 1 1 70 70 GLY H H 70 6.977 6.977 7.087 -0.110 19755 7787 1 16 . 1 1 71 71 LEU N N 71 116.716 116.716 118.866 -2.150 19755 7788 1 16 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.085 -0.069 19755 7789 1 16 . 1 1 71 71 LEU C C 71 174.299 174.299 175.186 -0.887 19755 7790 1 16 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.431 -1.374 19755 7791 1 16 . 1 1 71 71 LEU CB C 71 45.892 45.892 47.014 -1.122 19755 7792 1 16 . 1 1 71 71 LEU H H 71 8.032 8.032 8.562 -0.530 19755 7793 1 16 . 1 1 72 72 GLU N N 72 120.507 120.507 121.441 -0.934 19755 7794 1 16 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.060 -0.094 19755 7795 1 16 . 1 1 72 72 GLU C C 72 174.588 174.588 175.481 -0.893 19755 7796 1 16 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.815 -0.781 19755 7797 1 16 . 1 1 72 72 GLU CB C 72 33.392 33.392 32.005 1.387 19755 7798 1 16 . 1 1 72 72 GLU H H 72 8.739 8.739 8.531 0.208 19755 7799 1 16 . 1 1 73 73 ILE N N 73 127.226 127.226 123.404 3.822 19755 7800 1 16 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.460 0.066 19755 7801 1 16 . 1 1 73 73 ILE C C 73 173.786 173.786 174.211 -0.425 19755 7802 1 16 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.709 0.719 19755 7803 1 16 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.774 -0.669 19755 7804 1 16 . 1 1 73 73 ILE H H 73 8.755 8.755 8.785 -0.030 19755 7805 1 16 . 1 1 74 74 ILE N N 74 126.107 126.107 128.071 -1.964 19755 7806 1 16 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.612 0.054 19755 7807 1 16 . 1 1 74 74 ILE C C 74 175.304 175.304 174.434 0.870 19755 7808 1 16 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.458 1.350 19755 7809 1 16 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.796 -0.364 19755 7810 1 16 . 1 1 74 74 ILE H H 74 8.691 8.691 8.938 -0.247 19755 7811 1 16 . 1 1 75 75 VAL N N 75 128.967 128.967 123.239 5.728 19755 7812 1 16 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.211 -0.606 19755 7813 1 16 . 1 1 75 75 VAL C C 75 174.187 174.187 174.323 -0.136 19755 7814 1 16 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.853 1.567 19755 7815 1 16 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.894 -2.248 19755 7816 1 16 . 1 1 75 75 VAL H H 75 9.178 9.178 9.233 -0.055 19755 7817 1 16 . 1 1 76 76 THR HA H 76 5.743 5.743 4.875 0.868 19755 7818 1 16 . 1 1 76 76 THR CA C 76 59.957 59.957 59.841 0.116 19755 7819 1 16 . 1 1 76 76 THR CB C 76 71.833 71.833 71.709 0.124 19755 7820 1 16 . 1 1 77 77 LYS N N 77 124.204 124.204 121.384 2.820 19755 7821 1 16 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.721 -0.133 19755 7822 1 16 . 1 1 77 77 LYS CA C 77 55.751 55.751 55.423 0.328 19755 7823 1 16 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.847 -1.900 19755 7824 1 16 . 1 1 77 77 LYS H H 77 8.688 8.688 8.365 0.323 19755 7825 1 16 . 1 1 78 78 ALA N N 78 125.102 125.102 123.799 1.303 19755 7826 1 16 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.281 -0.305 19755 7827 1 16 . 1 1 78 78 ALA C C 78 176.776 176.776 176.552 0.224 19755 7828 1 16 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.246 0.185 19755 7829 1 16 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.246 0.296 19755 7830 1 16 . 1 1 78 78 ALA H H 78 8.137 8.137 8.283 -0.146 19755 7831 1 16 . 1 1 79 79 GLN HA H 79 4.085 4.085 2.821 1.264 19755 7832 1 16 . 1 1 79 79 GLN CA C 79 55.540 55.540 55.686 -0.146 19755 7833 1 16 . 1 1 79 79 GLN CB C 79 29.617 29.617 28.785 0.832 19755 7834 1 16 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.631 -0.336 19755 7835 1 16 . 1 1 80 80 LEU CA C 80 55.034 55.034 54.881 0.153 19755 7836 1 16 . 1 1 80 80 LEU CB C 80 42.320 42.320 43.373 -1.053 19755 7837 1 16 . 1 1 81 81 SER N N 81 116.580 116.580 122.338 -5.758 19755 7838 1 16 . 1 1 81 81 SER HA H 81 4.291 4.291 4.334 -0.043 19755 7839 1 16 . 1 1 81 81 SER C C 81 174.770 174.770 175.943 -1.173 19755 7840 1 16 . 1 1 81 81 SER CA C 81 58.674 58.674 59.905 -1.231 19755 7841 1 16 . 1 1 81 81 SER CB C 81 63.931 63.931 63.654 0.277 19755 7842 1 16 . 1 1 81 81 SER H H 81 8.214 8.214 8.910 -0.696 19755 7843 1 16 . 1 1 82 82 LYS N N 82 122.968 122.968 119.040 3.928 19755 7844 1 16 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.031 0.252 19755 7845 1 16 . 1 1 82 82 LYS C C 82 176.222 176.222 175.146 1.076 19755 7846 1 16 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.220 -1.678 19755 7847 1 16 . 1 1 82 82 LYS CB C 82 32.941 32.941 31.751 1.190 19755 7848 1 16 . 1 1 82 82 LYS H H 82 8.255 8.255 8.542 -0.287 19755 7849 1 16 . 1 1 83 83 ASP N N 83 120.305 120.305 116.851 3.454 19755 7850 1 16 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.743 -0.197 19755 7851 1 16 . 1 1 83 83 ASP C C 83 176.527 176.527 174.734 1.793 19755 7852 1 16 . 1 1 83 83 ASP CA C 83 54.864 54.864 53.935 0.928 19755 7853 1 16 . 1 1 83 83 ASP CB C 83 41.156 41.156 42.717 -1.561 19755 7854 1 16 . 1 1 83 83 ASP H H 83 8.158 8.158 7.871 0.287 19755 7855 1 16 . 1 1 84 84 LEU N N 84 121.499 121.499 124.129 -2.630 19755 7856 1 16 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.457 -0.274 19755 7857 1 16 . 1 1 84 84 LEU C C 84 177.585 177.585 176.375 1.210 19755 7858 1 16 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.249 -0.207 19755 7859 1 16 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.428 -1.049 19755 7860 1 16 . 1 1 84 84 LEU H H 84 7.955 7.955 8.185 -0.230 19755 7861 1 16 . 1 1 85 85 ASP N N 85 119.668 119.668 119.375 0.293 19755 7862 1 16 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.505 -0.005 19755 7863 1 16 . 1 1 85 85 ASP C C 85 176.445 176.445 176.799 -0.354 19755 7864 1 16 . 1 1 85 85 ASP CA C 85 55.143 55.143 55.390 -0.247 19755 7865 1 16 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.137 -0.021 19755 7866 1 16 . 1 1 85 85 ASP H H 85 8.207 8.207 8.317 -0.110 19755 7867 1 16 . 1 1 86 86 LYS N N 86 119.760 119.760 120.361 -0.601 19755 7868 1 16 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.320 -0.067 19755 7869 1 16 . 1 1 86 86 LYS C C 86 176.336 176.336 176.666 -0.330 19755 7870 1 16 . 1 1 86 86 LYS CA C 86 56.519 56.519 55.876 0.643 19755 7871 1 16 . 1 1 86 86 LYS CB C 86 33.072 33.072 32.921 0.151 19755 7872 1 16 . 1 1 86 86 LYS H H 86 7.843 7.843 7.897 -0.054 19755 7873 1 16 . 1 1 87 87 LEU N N 87 122.086 122.086 123.200 -1.114 19755 7874 1 16 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.316 -0.007 19755 7875 1 16 . 1 1 87 87 LEU C C 87 176.952 176.952 177.457 -0.505 19755 7876 1 16 . 1 1 87 87 LEU CA C 87 55.369 55.369 55.042 0.327 19755 7877 1 16 . 1 1 87 87 LEU CB C 87 42.407 42.407 41.864 0.543 19755 7878 1 16 . 1 1 87 87 LEU H H 87 8.008 8.008 8.257 -0.249 19755 7879 1 16 . 1 1 88 88 VAL N N 88 122.409 122.409 119.433 2.976 19755 7880 1 16 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.500 -0.126 19755 7881 1 16 . 1 1 88 88 VAL C C 88 174.225 174.225 174.612 -0.387 19755 7882 1 16 . 1 1 88 88 VAL CA C 88 59.992 59.992 60.029 -0.037 19755 7883 1 16 . 1 1 88 88 VAL CB C 88 32.946 32.946 33.121 -0.175 19755 7884 1 16 . 1 1 88 88 VAL H H 88 7.919 7.919 8.186 -0.267 19755 7885 1 16 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.678 -0.308 19755 7886 1 16 . 1 1 89 89 PRO C C 89 176.035 176.035 176.829 -0.794 19755 7887 1 16 . 1 1 89 89 PRO CA C 89 63.592 63.592 62.803 0.789 19755 7888 1 16 . 1 1 89 89 PRO CB C 89 32.218 32.218 30.926 1.292 19755 7889 1 17 . 1 1 2 2 GLU N N 2 123.952 123.952 121.010 2.942 19755 7890 1 17 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.823 -0.142 19755 7891 1 17 . 1 1 2 2 GLU C C 2 174.704 174.704 174.572 0.132 19755 7892 1 17 . 1 1 2 2 GLU CA C 2 55.866 55.866 56.079 -0.213 19755 7893 1 17 . 1 1 2 2 GLU CB C 2 32.406 32.406 33.261 -0.855 19755 7894 1 17 . 1 1 2 2 GLU H H 2 8.571 8.571 8.556 0.015 19755 7895 1 17 . 1 1 3 3 ILE N N 3 121.558 121.558 124.251 -2.693 19755 7896 1 17 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.842 -0.130 19755 7897 1 17 . 1 1 3 3 ILE C C 3 174.736 174.736 175.655 -0.919 19755 7898 1 17 . 1 1 3 3 ILE CA C 3 60.277 60.277 59.718 0.559 19755 7899 1 17 . 1 1 3 3 ILE CB C 3 40.861 40.861 40.936 -0.075 19755 7900 1 17 . 1 1 3 3 ILE H H 3 8.565 8.565 8.533 0.032 19755 7901 1 17 . 1 1 4 4 GLU N N 4 126.319 126.319 125.957 0.362 19755 7902 1 17 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.708 -0.147 19755 7903 1 17 . 1 1 4 4 GLU C C 4 174.708 174.708 174.721 -0.013 19755 7904 1 17 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.481 0.747 19755 7905 1 17 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.394 -0.385 19755 7906 1 17 . 1 1 4 4 GLU H H 4 9.153 9.153 9.232 -0.079 19755 7907 1 17 . 1 1 5 5 ARG N N 5 127.727 127.727 125.338 2.389 19755 7908 1 17 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.627 -0.067 19755 7909 1 17 . 1 1 5 5 ARG C C 5 175.807 175.807 175.985 -0.178 19755 7910 1 17 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.634 0.489 19755 7911 1 17 . 1 1 5 5 ARG CB C 5 29.653 29.653 30.307 -0.654 19755 7912 1 17 . 1 1 5 5 ARG H H 5 9.002 9.002 8.788 0.214 19755 7913 1 17 . 1 1 6 6 ILE N N 6 129.149 129.149 126.437 2.712 19755 7914 1 17 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.935 -0.031 19755 7915 1 17 . 1 1 6 6 ILE C C 6 176.468 176.468 176.522 -0.054 19755 7916 1 17 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.538 0.433 19755 7917 1 17 . 1 1 6 6 ILE CB C 6 38.162 38.162 38.182 -0.021 19755 7918 1 17 . 1 1 6 6 ILE H H 6 8.030 8.030 8.419 -0.389 19755 7919 1 17 . 1 1 7 7 ASN N N 7 112.808 112.808 115.753 -2.945 19755 7920 1 17 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.842 -0.283 19755 7921 1 17 . 1 1 7 7 ASN C C 7 175.254 175.254 174.206 1.048 19755 7922 1 17 . 1 1 7 7 ASN CA C 7 52.853 52.853 52.169 0.684 19755 7923 1 17 . 1 1 7 7 ASN CB C 7 38.275 38.275 38.961 -0.686 19755 7924 1 17 . 1 1 7 7 ASN H H 7 8.147 8.147 7.720 0.427 19755 7925 1 17 . 1 1 8 8 GLU N N 8 121.087 121.087 118.250 2.837 19755 7926 1 17 . 1 1 8 8 GLU HA H 8 4.050 4.050 3.977 0.073 19755 7927 1 17 . 1 1 8 8 GLU C C 8 176.486 176.486 177.662 -1.176 19755 7928 1 17 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.529 1.273 19755 7929 1 17 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.242 0.209 19755 7930 1 17 . 1 1 8 8 GLU H H 8 8.770 8.770 8.789 -0.019 19755 7931 1 17 . 1 1 9 9 HIS N N 9 113.719 113.719 115.665 -1.946 19755 7932 1 17 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.806 0.159 19755 7933 1 17 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.312 -0.506 19755 7934 1 17 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.405 0.579 19755 7935 1 17 . 1 1 9 9 HIS H H 9 7.921 7.921 8.358 -0.437 19755 7936 1 17 . 1 1 10 10 THR N N 10 116.218 116.218 118.027 -1.809 19755 7937 1 17 . 1 1 10 10 THR HA H 10 5.736 5.736 4.820 0.916 19755 7938 1 17 . 1 1 10 10 THR C C 10 173.396 173.396 173.833 -0.437 19755 7939 1 17 . 1 1 10 10 THR CA C 10 62.820 62.820 63.928 -1.108 19755 7940 1 17 . 1 1 10 10 THR CB C 10 71.465 71.465 69.925 1.540 19755 7941 1 17 . 1 1 10 10 THR H H 10 7.349 7.349 8.783 -1.434 19755 7942 1 17 . 1 1 11 11 VAL N N 11 124.880 124.880 119.004 5.876 19755 7943 1 17 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.041 -0.184 19755 7944 1 17 . 1 1 11 11 VAL C C 11 172.156 172.156 173.619 -1.463 19755 7945 1 17 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.228 0.648 19755 7946 1 17 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.561 0.425 19755 7947 1 17 . 1 1 11 11 VAL H H 11 9.043 9.043 8.601 0.442 19755 7948 1 17 . 1 1 12 12 LYS N N 12 124.164 124.164 119.698 4.466 19755 7949 1 17 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.494 0.090 19755 7950 1 17 . 1 1 12 12 LYS C C 12 173.380 173.380 175.021 -1.641 19755 7951 1 17 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.495 -0.290 19755 7952 1 17 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.894 0.563 19755 7953 1 17 . 1 1 12 12 LYS H H 12 8.884 8.884 8.527 0.357 19755 7954 1 17 . 1 1 13 13 PHE N N 13 124.228 124.228 114.660 9.568 19755 7955 1 17 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.505 -0.177 19755 7956 1 17 . 1 1 13 13 PHE C C 13 172.237 172.237 172.811 -0.574 19755 7957 1 17 . 1 1 13 13 PHE CA C 13 55.986 55.986 56.051 -0.065 19755 7958 1 17 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.227 -0.311 19755 7959 1 17 . 1 1 13 13 PHE H H 13 8.989 8.989 8.979 0.010 19755 7960 1 17 . 1 1 14 14 TYR N N 14 121.263 121.263 120.456 0.807 19755 7961 1 17 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.462 -0.075 19755 7962 1 17 . 1 1 14 14 TYR C C 14 174.713 174.713 173.273 1.440 19755 7963 1 17 . 1 1 14 14 TYR CA C 14 55.953 55.953 56.062 -0.109 19755 7964 1 17 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.843 -1.335 19755 7965 1 17 . 1 1 14 14 TYR H H 14 8.670 8.670 9.302 -0.632 19755 7966 1 17 . 1 1 15 15 MET N N 15 124.869 124.869 126.141 -1.272 19755 7967 1 17 . 1 1 15 15 MET HA H 15 4.417 4.417 4.737 -0.320 19755 7968 1 17 . 1 1 15 15 MET C C 15 173.614 173.614 173.808 -0.194 19755 7969 1 17 . 1 1 15 15 MET CA C 15 54.305 54.305 53.424 0.881 19755 7970 1 17 . 1 1 15 15 MET CB C 15 37.439 37.439 35.967 1.472 19755 7971 1 17 . 1 1 15 15 MET H H 15 7.927 7.927 8.639 -0.712 19755 7972 1 17 . 1 1 16 16 SER N N 16 120.626 120.626 123.679 -3.053 19755 7973 1 17 . 1 1 16 16 SER HA H 16 4.396 4.396 4.342 0.054 19755 7974 1 17 . 1 1 16 16 SER C C 16 175.508 175.508 175.359 0.149 19755 7975 1 17 . 1 1 16 16 SER CA C 16 57.637 57.637 58.295 -0.658 19755 7976 1 17 . 1 1 16 16 SER CB C 16 65.033 65.033 64.004 1.029 19755 7977 1 17 . 1 1 16 16 SER H H 16 9.061 9.061 8.669 0.392 19755 7978 1 17 . 1 1 17 17 TYR N N 17 119.917 119.917 123.205 -3.288 19755 7979 1 17 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.262 0.098 19755 7980 1 17 . 1 1 17 17 TYR C C 17 178.684 178.684 178.127 0.557 19755 7981 1 17 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.175 1.781 19755 7982 1 17 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.642 -0.653 19755 7983 1 17 . 1 1 17 17 TYR H H 17 8.411 8.411 8.462 -0.051 19755 7984 1 17 . 1 1 18 18 GLY N N 18 107.011 107.011 105.758 1.253 19755 7985 1 17 . 1 1 18 18 GLY C C 18 175.454 175.454 175.938 -0.484 19755 7986 1 17 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.587 0.859 19755 7987 1 17 . 1 1 18 18 GLY H H 18 8.534 8.534 8.900 -0.366 19755 7988 1 17 . 1 1 19 19 ASP N N 19 122.947 122.947 122.207 0.740 19755 7989 1 17 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.520 -0.128 19755 7990 1 17 . 1 1 19 19 ASP C C 19 179.020 179.020 178.663 0.357 19755 7991 1 17 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.434 0.008 19755 7992 1 17 . 1 1 19 19 ASP CB C 19 40.914 40.914 40.992 -0.078 19755 7993 1 17 . 1 1 19 19 ASP H H 19 7.788 7.788 7.842 -0.054 19755 7994 1 17 . 1 1 20 20 ILE N N 20 119.114 119.114 121.122 -2.008 19755 7995 1 17 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.645 -0.117 19755 7996 1 17 . 1 1 20 20 ILE C C 20 177.939 177.939 177.658 0.281 19755 7997 1 17 . 1 1 20 20 ILE CA C 20 66.310 66.310 65.108 1.202 19755 7998 1 17 . 1 1 20 20 ILE CB C 20 38.886 38.886 37.998 0.888 19755 7999 1 17 . 1 1 20 20 ILE H H 20 7.762 7.762 7.516 0.246 19755 8000 1 17 . 1 1 21 21 GLU N N 21 119.999 119.999 120.214 -0.215 19755 8001 1 17 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.220 0.362 19755 8002 1 17 . 1 1 21 21 GLU C C 21 181.888 181.888 179.152 2.736 19755 8003 1 17 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.527 -0.320 19755 8004 1 17 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.295 0.119 19755 8005 1 17 . 1 1 21 21 GLU H H 21 8.113 8.113 8.455 -0.342 19755 8006 1 17 . 1 1 22 22 ASP N N 22 122.667 122.667 119.601 3.066 19755 8007 1 17 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.477 -0.003 19755 8008 1 17 . 1 1 22 22 ASP C C 22 178.184 178.184 178.375 -0.191 19755 8009 1 17 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.446 0.889 19755 8010 1 17 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.018 -0.151 19755 8011 1 17 . 1 1 22 22 ASP H H 22 8.699 8.699 8.009 0.690 19755 8012 1 17 . 1 1 23 23 ARG N N 23 116.862 116.862 117.460 -0.598 19755 8013 1 17 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.375 -0.031 19755 8014 1 17 . 1 1 23 23 ARG C C 23 176.101 176.101 177.225 -1.124 19755 8015 1 17 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.661 -0.009 19755 8016 1 17 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.685 0.112 19755 8017 1 17 . 1 1 23 23 ARG H H 23 7.380 7.380 7.740 -0.360 19755 8018 1 17 . 1 1 24 24 GLY N N 24 106.318 106.318 105.955 0.363 19755 8019 1 17 . 1 1 24 24 GLY C C 24 174.117 174.117 174.806 -0.689 19755 8020 1 17 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.449 0.044 19755 8021 1 17 . 1 1 24 24 GLY H H 24 8.004 8.004 7.907 0.097 19755 8022 1 17 . 1 1 25 25 PHE N N 25 118.274 118.274 120.263 -1.989 19755 8023 1 17 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.635 -0.013 19755 8024 1 17 . 1 1 25 25 PHE C C 25 174.127 174.127 174.886 -0.759 19755 8025 1 17 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.211 -0.281 19755 8026 1 17 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.063 1.808 19755 8027 1 17 . 1 1 25 25 PHE H H 25 7.550 7.550 8.330 -0.780 19755 8028 1 17 . 1 1 26 26 ASP N N 26 121.320 121.320 118.011 3.309 19755 8029 1 17 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.984 -0.090 19755 8030 1 17 . 1 1 26 26 ASP C C 26 177.370 177.370 177.435 -0.065 19755 8031 1 17 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.314 0.793 19755 8032 1 17 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.681 0.385 19755 8033 1 17 . 1 1 26 26 ASP H H 26 8.891 8.891 8.450 0.441 19755 8034 1 17 . 1 1 27 27 ARG N N 27 124.100 124.100 124.508 -0.408 19755 8035 1 17 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.972 -0.130 19755 8036 1 17 . 1 1 27 27 ARG C C 27 176.201 176.201 177.192 -0.991 19755 8037 1 17 . 1 1 27 27 ARG CA C 27 59.857 59.857 58.822 1.035 19755 8038 1 17 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.166 -0.491 19755 8039 1 17 . 1 1 27 27 ARG H H 27 9.033 9.033 8.743 0.290 19755 8040 1 17 . 1 1 28 28 GLU N N 28 118.451 118.451 118.261 0.190 19755 8041 1 17 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.422 -0.385 19755 8042 1 17 . 1 1 28 28 GLU C C 28 178.889 178.889 179.319 -0.430 19755 8043 1 17 . 1 1 28 28 GLU CA C 28 59.255 59.255 58.933 0.322 19755 8044 1 17 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.912 -0.462 19755 8045 1 17 . 1 1 28 28 GLU H H 28 8.362 8.362 8.433 -0.071 19755 8046 1 17 . 1 1 29 29 GLU N N 29 118.302 118.302 120.510 -2.208 19755 8047 1 17 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.160 -0.075 19755 8048 1 17 . 1 1 29 29 GLU C C 29 178.137 178.137 178.947 -0.810 19755 8049 1 17 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.191 -0.231 19755 8050 1 17 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.150 1.302 19755 8051 1 17 . 1 1 29 29 GLU H H 29 7.821 7.821 7.965 -0.144 19755 8052 1 17 . 1 1 30 30 ILE N N 30 115.456 115.456 119.058 -3.602 19755 8053 1 17 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.677 -0.050 19755 8054 1 17 . 1 1 30 30 ILE C C 30 176.229 176.229 177.767 -1.538 19755 8055 1 17 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.706 -3.643 19755 8056 1 17 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.859 -0.919 19755 8057 1 17 . 1 1 30 30 ILE H H 30 7.363 7.363 8.248 -0.885 19755 8058 1 17 . 1 1 31 31 TRP N N 31 116.714 116.714 115.734 0.980 19755 8059 1 17 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.308 -0.158 19755 8060 1 17 . 1 1 31 31 TRP C C 31 178.092 178.092 176.470 1.622 19755 8061 1 17 . 1 1 31 31 TRP CA C 31 59.618 59.618 57.819 1.799 19755 8062 1 17 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.203 0.425 19755 8063 1 17 . 1 1 31 31 TRP H H 31 7.410 7.410 7.406 0.004 19755 8064 1 17 . 1 1 32 32 TYR N N 32 112.769 112.769 114.499 -1.730 19755 8065 1 17 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.708 0.058 19755 8066 1 17 . 1 1 32 32 TYR C C 32 175.767 175.767 175.322 0.445 19755 8067 1 17 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.620 1.012 19755 8068 1 17 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.135 1.087 19755 8069 1 17 . 1 1 32 32 TYR H H 32 7.577 7.577 7.242 0.335 19755 8070 1 17 . 1 1 33 33 ASN N N 33 120.521 120.521 119.537 0.984 19755 8071 1 17 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.060 -0.012 19755 8072 1 17 . 1 1 33 33 ASN C C 33 174.851 174.851 174.664 0.187 19755 8073 1 17 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.932 -0.612 19755 8074 1 17 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.678 -0.465 19755 8075 1 17 . 1 1 33 33 ASN H H 33 8.364 8.364 7.949 0.415 19755 8076 1 17 . 1 1 34 34 ARG N N 34 126.163 126.163 125.661 0.502 19755 8077 1 17 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.928 0.257 19755 8078 1 17 . 1 1 34 34 ARG C C 34 178.509 178.509 177.890 0.619 19755 8079 1 17 . 1 1 34 34 ARG CA C 34 58.504 58.504 60.386 -1.882 19755 8080 1 17 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.408 -0.915 19755 8081 1 17 . 1 1 34 34 ARG H H 34 8.830 8.830 8.957 -0.127 19755 8082 1 17 . 1 1 35 35 GLU N N 35 118.994 118.994 116.448 2.546 19755 8083 1 17 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.240 -0.080 19755 8084 1 17 . 1 1 35 35 GLU C C 35 179.839 179.839 178.543 1.296 19755 8085 1 17 . 1 1 35 35 GLU CA C 35 60.191 60.191 59.077 1.114 19755 8086 1 17 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.724 0.709 19755 8087 1 17 . 1 1 35 35 GLU H H 35 8.380 8.380 8.849 -0.469 19755 8088 1 17 . 1 1 36 36 ARG N N 36 119.197 119.197 119.529 -0.332 19755 8089 1 17 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.544 -0.144 19755 8090 1 17 . 1 1 36 36 ARG C C 36 178.217 178.217 178.721 -0.504 19755 8091 1 17 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.683 0.711 19755 8092 1 17 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.680 -0.145 19755 8093 1 17 . 1 1 36 36 ARG H H 36 7.686 7.686 7.996 -0.310 19755 8094 1 17 . 1 1 37 37 SER N N 37 114.607 114.607 116.673 -2.066 19755 8095 1 17 . 1 1 37 37 SER HA H 37 3.899 3.899 4.176 -0.277 19755 8096 1 17 . 1 1 37 37 SER C C 37 178.298 178.298 176.301 1.997 19755 8097 1 17 . 1 1 37 37 SER CA C 37 62.455 62.455 61.864 0.591 19755 8098 1 17 . 1 1 37 37 SER CB C 37 62.542 62.542 62.745 -0.203 19755 8099 1 17 . 1 1 37 37 SER H H 37 8.282 8.282 8.284 -0.002 19755 8100 1 17 . 1 1 38 38 GLU N N 38 121.063 121.063 122.332 -1.269 19755 8101 1 17 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.168 -0.412 19755 8102 1 17 . 1 1 38 38 GLU C C 38 177.182 177.182 178.962 -1.780 19755 8103 1 17 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.797 0.500 19755 8104 1 17 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.648 -0.374 19755 8105 1 17 . 1 1 38 38 GLU H H 38 7.849 7.849 7.810 0.039 19755 8106 1 17 . 1 1 39 39 GLU N N 39 119.119 119.119 119.149 -0.030 19755 8107 1 17 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.179 0.050 19755 8108 1 17 . 1 1 39 39 GLU C C 39 179.781 179.781 179.061 0.720 19755 8109 1 17 . 1 1 39 39 GLU CA C 39 60.172 60.172 59.013 1.159 19755 8110 1 17 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.959 1.100 19755 8111 1 17 . 1 1 39 39 GLU H H 39 7.686 7.686 7.828 -0.142 19755 8112 1 17 . 1 1 40 40 LEU N N 40 120.164 120.164 120.701 -0.537 19755 8113 1 17 . 1 1 40 40 LEU HA H 40 3.692 3.692 4.022 -0.330 19755 8114 1 17 . 1 1 40 40 LEU C C 40 177.155 177.155 178.305 -1.150 19755 8115 1 17 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.185 0.079 19755 8116 1 17 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.159 -0.710 19755 8117 1 17 . 1 1 40 40 LEU H H 40 7.739 7.739 7.942 -0.203 19755 8118 1 17 . 1 1 41 41 PHE N N 41 118.207 118.207 116.846 1.361 19755 8119 1 17 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.132 -0.327 19755 8120 1 17 . 1 1 41 41 PHE C C 41 176.387 176.387 177.759 -1.372 19755 8121 1 17 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.790 -0.426 19755 8122 1 17 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.089 -0.020 19755 8123 1 17 . 1 1 41 41 PHE H H 41 7.825 7.825 7.399 0.426 19755 8124 1 17 . 1 1 42 42 TRP N N 42 117.448 117.448 119.845 -2.397 19755 8125 1 17 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.152 -0.028 19755 8126 1 17 . 1 1 42 42 TRP C C 42 179.071 179.071 178.401 0.670 19755 8127 1 17 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.785 -1.706 19755 8128 1 17 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.125 0.329 19755 8129 1 17 . 1 1 42 42 TRP H H 42 8.266 8.266 8.688 -0.422 19755 8130 1 17 . 1 1 43 43 GLU N N 43 120.573 120.573 119.117 1.456 19755 8131 1 17 . 1 1 43 43 GLU HA H 43 4.159 4.159 3.914 0.245 19755 8132 1 17 . 1 1 43 43 GLU C C 43 179.556 179.556 179.058 0.498 19755 8133 1 17 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.717 0.464 19755 8134 1 17 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.415 0.087 19755 8135 1 17 . 1 1 43 43 GLU H H 43 7.918 7.918 7.777 0.141 19755 8136 1 17 . 1 1 44 44 VAL N N 44 119.502 119.502 116.418 3.084 19755 8137 1 17 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.586 -0.141 19755 8138 1 17 . 1 1 44 44 VAL C C 44 178.356 178.356 177.647 0.709 19755 8139 1 17 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.269 1.121 19755 8140 1 17 . 1 1 44 44 VAL CB C 44 31.220 31.220 30.545 0.675 19755 8141 1 17 . 1 1 44 44 VAL H H 44 7.947 7.947 7.229 0.718 19755 8142 1 17 . 1 1 45 45 MET N N 45 117.691 117.691 119.528 -1.837 19755 8143 1 17 . 1 1 45 45 MET HA H 45 4.118 4.118 4.196 -0.078 19755 8144 1 17 . 1 1 45 45 MET C C 45 179.207 179.207 178.658 0.549 19755 8145 1 17 . 1 1 45 45 MET CA C 45 56.677 56.677 57.417 -0.740 19755 8146 1 17 . 1 1 45 45 MET CB C 45 31.094 31.094 31.941 -0.847 19755 8147 1 17 . 1 1 45 45 MET H H 45 7.998 7.998 8.205 -0.207 19755 8148 1 17 . 1 1 46 46 ASP N N 46 119.109 119.109 120.230 -1.121 19755 8149 1 17 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.339 0.202 19755 8150 1 17 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.414 -0.472 19755 8151 1 17 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.873 0.555 19755 8152 1 17 . 1 1 46 46 ASP H H 46 7.773 7.773 8.175 -0.402 19755 8153 1 17 . 1 1 47 47 GLU N N 47 118.018 118.018 120.346 -2.328 19755 8154 1 17 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.190 -0.022 19755 8155 1 17 . 1 1 47 47 GLU C C 47 177.957 177.957 177.441 0.516 19755 8156 1 17 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.205 -0.228 19755 8157 1 17 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.352 1.050 19755 8158 1 17 . 1 1 47 47 GLU H H 47 7.608 7.608 8.191 -0.583 19755 8159 1 17 . 1 1 48 48 VAL N N 48 115.277 115.277 111.281 3.996 19755 8160 1 17 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.413 -0.308 19755 8161 1 17 . 1 1 48 48 VAL CA C 48 62.377 62.377 62.160 0.217 19755 8162 1 17 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.390 1.476 19755 8163 1 17 . 1 1 48 48 VAL H H 48 7.508 7.508 7.474 0.034 19755 8164 1 17 . 1 1 49 49 HIS N N 49 121.222 121.222 122.603 -1.381 19755 8165 1 17 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.295 0.316 19755 8166 1 17 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.794 -2.793 19755 8167 1 17 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.135 -0.606 19755 8168 1 17 . 1 1 49 49 HIS H H 49 8.099 8.099 7.867 0.232 19755 8169 1 17 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.328 -0.106 19755 8170 1 17 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.772 -1.143 19755 8171 1 17 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.258 1.165 19755 8172 1 17 . 1 1 51 51 GLU N N 51 119.589 119.589 116.285 3.304 19755 8173 1 17 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.331 -0.097 19755 8174 1 17 . 1 1 51 51 GLU C C 51 176.279 176.279 176.939 -0.660 19755 8175 1 17 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.346 -0.799 19755 8176 1 17 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.262 0.319 19755 8177 1 17 . 1 1 51 51 GLU H H 51 8.121 8.121 7.955 0.166 19755 8178 1 17 . 1 1 52 52 GLU N N 52 122.410 122.410 116.603 5.807 19755 8179 1 17 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.517 -0.207 19755 8180 1 17 . 1 1 52 52 GLU C C 52 176.127 176.127 177.885 -1.758 19755 8181 1 17 . 1 1 52 52 GLU CA C 52 56.508 56.508 56.539 -0.031 19755 8182 1 17 . 1 1 52 52 GLU CB C 52 30.565 30.565 31.452 -0.887 19755 8183 1 17 . 1 1 52 52 GLU H H 52 8.412 8.412 7.819 0.593 19755 8184 1 17 . 1 1 53 53 GLU N N 53 121.407 121.407 121.329 0.078 19755 8185 1 17 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.771 0.523 19755 8186 1 17 . 1 1 53 53 GLU C C 53 176.242 176.242 177.618 -1.376 19755 8187 1 17 . 1 1 53 53 GLU CA C 53 56.607 56.607 59.214 -2.607 19755 8188 1 17 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.746 1.693 19755 8189 1 17 . 1 1 53 53 GLU H H 53 8.361 8.361 8.282 0.079 19755 8190 1 17 . 1 1 54 54 PHE N N 54 121.128 121.128 118.520 2.608 19755 8191 1 17 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.402 0.192 19755 8192 1 17 . 1 1 54 54 PHE C C 54 176.021 176.021 175.288 0.733 19755 8193 1 17 . 1 1 54 54 PHE CA C 54 57.554 57.554 58.591 -1.037 19755 8194 1 17 . 1 1 54 54 PHE CB C 54 40.192 40.192 39.441 0.751 19755 8195 1 17 . 1 1 54 54 PHE H H 54 8.147 8.147 7.930 0.217 19755 8196 1 17 . 1 1 55 55 ALA N N 55 126.124 126.124 120.804 5.320 19755 8197 1 17 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.516 -0.095 19755 8198 1 17 . 1 1 55 55 ALA C C 55 177.391 177.391 178.134 -0.743 19755 8199 1 17 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.626 -0.252 19755 8200 1 17 . 1 1 55 55 ALA CB C 55 19.512 19.512 20.449 -0.937 19755 8201 1 17 . 1 1 55 55 ALA H H 55 8.124 8.124 8.173 -0.049 19755 8202 1 17 . 1 1 56 56 VAL N N 56 119.019 119.019 118.075 0.944 19755 8203 1 17 . 1 1 56 56 VAL HA H 56 4.133 4.133 3.898 0.235 19755 8204 1 17 . 1 1 56 56 VAL C C 56 176.128 176.128 176.408 -0.280 19755 8205 1 17 . 1 1 56 56 VAL CA C 56 62.306 62.306 63.431 -1.125 19755 8206 1 17 . 1 1 56 56 VAL CB C 56 33.274 33.274 30.870 2.404 19755 8207 1 17 . 1 1 56 56 VAL H H 56 7.958 7.958 7.912 0.046 19755 8208 1 17 . 1 1 57 57 GLU N N 57 124.588 124.588 118.546 6.042 19755 8209 1 17 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.137 0.358 19755 8210 1 17 . 1 1 57 57 GLU C C 57 176.082 176.082 177.054 -0.972 19755 8211 1 17 . 1 1 57 57 GLU CA C 57 56.056 56.056 57.287 -1.231 19755 8212 1 17 . 1 1 57 57 GLU CB C 57 31.303 31.303 28.992 2.311 19755 8213 1 17 . 1 1 57 57 GLU H H 57 8.413 8.413 8.155 0.258 19755 8214 1 17 . 1 1 58 58 GLY N N 58 110.794 110.794 110.230 0.564 19755 8215 1 17 . 1 1 58 58 GLY C C 58 170.660 170.660 172.854 -2.194 19755 8216 1 17 . 1 1 58 58 GLY CA C 58 44.857 44.857 43.515 1.342 19755 8217 1 17 . 1 1 58 58 GLY H H 58 8.040 8.040 7.815 0.225 19755 8218 1 17 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.381 0.050 19755 8219 1 17 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.674 0.414 19755 8220 1 17 . 1 1 59 59 PRO CB C 59 32.474 32.474 33.016 -0.542 19755 8221 1 17 . 1 1 60 60 LEU N N 60 120.609 120.609 119.280 1.329 19755 8222 1 17 . 1 1 60 60 LEU C C 60 176.392 176.392 174.936 1.456 19755 8223 1 17 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.231 -0.307 19755 8224 1 17 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.380 -0.342 19755 8225 1 17 . 1 1 60 60 LEU H H 60 8.367 8.367 7.943 0.424 19755 8226 1 17 . 1 1 61 61 TRP N N 61 124.050 124.050 124.349 -0.299 19755 8227 1 17 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.887 0.074 19755 8228 1 17 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.767 -0.634 19755 8229 1 17 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.273 -2.407 19755 8230 1 17 . 1 1 61 61 TRP H H 61 9.101 9.101 8.241 0.860 19755 8231 1 17 . 1 1 62 62 ILE N N 62 121.315 121.315 121.053 0.262 19755 8232 1 17 . 1 1 62 62 ILE C C 62 174.576 174.576 174.717 -0.141 19755 8233 1 17 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.630 0.926 19755 8234 1 17 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.367 -0.728 19755 8235 1 17 . 1 1 62 62 ILE H H 62 7.863 7.863 8.525 -0.662 19755 8236 1 17 . 1 1 63 63 GLN N N 63 127.300 127.300 125.623 1.677 19755 8237 1 17 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.905 -0.371 19755 8238 1 17 . 1 1 63 63 GLN C C 63 173.768 173.768 173.486 0.282 19755 8239 1 17 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.589 -0.180 19755 8240 1 17 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.582 -3.273 19755 8241 1 17 . 1 1 63 63 GLN H H 63 8.881 8.881 9.263 -0.382 19755 8242 1 17 . 1 1 64 64 VAL N N 64 123.414 123.414 121.309 2.105 19755 8243 1 17 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.963 -0.286 19755 8244 1 17 . 1 1 64 64 VAL C C 64 174.737 174.737 173.973 0.764 19755 8245 1 17 . 1 1 64 64 VAL CA C 64 60.965 60.965 59.625 1.340 19755 8246 1 17 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.307 -0.887 19755 8247 1 17 . 1 1 64 64 VAL H H 64 8.330 8.330 8.450 -0.120 19755 8248 1 17 . 1 1 65 65 GLN N N 65 125.152 125.152 123.301 1.851 19755 8249 1 17 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.645 0.106 19755 8250 1 17 . 1 1 65 65 GLN C C 65 174.043 174.043 174.082 -0.039 19755 8251 1 17 . 1 1 65 65 GLN CA C 65 54.421 54.421 54.313 0.108 19755 8252 1 17 . 1 1 65 65 GLN CB C 65 31.956 31.956 33.163 -1.207 19755 8253 1 17 . 1 1 65 65 GLN H H 65 8.938 8.938 8.767 0.171 19755 8254 1 17 . 1 1 66 66 ALA N N 66 127.534 127.534 124.795 2.739 19755 8255 1 17 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.782 -0.146 19755 8256 1 17 . 1 1 66 66 ALA C C 66 176.740 176.740 176.298 0.442 19755 8257 1 17 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.283 1.518 19755 8258 1 17 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.487 -1.141 19755 8259 1 17 . 1 1 66 66 ALA H H 66 8.808 8.808 8.385 0.423 19755 8260 1 17 . 1 1 67 67 LEU N N 67 124.609 124.609 124.345 0.264 19755 8261 1 17 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.736 0.049 19755 8262 1 17 . 1 1 67 67 LEU C C 67 177.190 177.190 177.023 0.167 19755 8263 1 17 . 1 1 67 67 LEU CA C 67 53.585 53.585 54.063 -0.478 19755 8264 1 17 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.012 -0.166 19755 8265 1 17 . 1 1 67 67 LEU H H 67 8.541 8.541 8.833 -0.292 19755 8266 1 17 . 1 1 68 68 ASP N N 68 120.713 120.713 119.503 1.210 19755 8267 1 17 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.453 -0.023 19755 8268 1 17 . 1 1 68 68 ASP C C 68 177.319 177.319 176.924 0.395 19755 8269 1 17 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.587 1.504 19755 8270 1 17 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.118 -0.203 19755 8271 1 17 . 1 1 68 68 ASP H H 68 8.539 8.539 8.630 -0.091 19755 8272 1 17 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.397 0.205 19755 8273 1 17 . 1 1 69 69 LYS C C 69 176.282 176.282 174.324 1.958 19755 8274 1 17 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.859 0.958 19755 8275 1 17 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.295 1.268 19755 8276 1 17 . 1 1 70 70 GLY N N 70 110.325 110.325 105.852 4.473 19755 8277 1 17 . 1 1 70 70 GLY C C 70 169.572 169.572 171.366 -1.794 19755 8278 1 17 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.343 0.022 19755 8279 1 17 . 1 1 70 70 GLY H H 70 6.977 6.977 6.976 0.001 19755 8280 1 17 . 1 1 71 71 LEU N N 71 116.716 116.716 118.746 -2.030 19755 8281 1 17 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.063 -0.047 19755 8282 1 17 . 1 1 71 71 LEU C C 71 174.299 174.299 175.172 -0.873 19755 8283 1 17 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.310 -1.253 19755 8284 1 17 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.940 -1.048 19755 8285 1 17 . 1 1 71 71 LEU H H 71 8.032 8.032 8.513 -0.481 19755 8286 1 17 . 1 1 72 72 GLU N N 72 120.507 120.507 121.393 -0.886 19755 8287 1 17 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.009 -0.043 19755 8288 1 17 . 1 1 72 72 GLU C C 72 174.588 174.588 175.553 -0.965 19755 8289 1 17 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.944 -0.910 19755 8290 1 17 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.933 1.459 19755 8291 1 17 . 1 1 72 72 GLU H H 72 8.739 8.739 8.487 0.252 19755 8292 1 17 . 1 1 73 73 ILE N N 73 127.226 127.226 122.299 4.927 19755 8293 1 17 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.517 0.009 19755 8294 1 17 . 1 1 73 73 ILE C C 73 173.786 173.786 174.283 -0.497 19755 8295 1 17 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.783 0.645 19755 8296 1 17 . 1 1 73 73 ILE CB C 73 39.105 39.105 40.005 -0.900 19755 8297 1 17 . 1 1 73 73 ILE H H 73 8.755 8.755 8.700 0.055 19755 8298 1 17 . 1 1 74 74 ILE N N 74 126.107 126.107 127.424 -1.317 19755 8299 1 17 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.699 -0.033 19755 8300 1 17 . 1 1 74 74 ILE C C 74 175.304 175.304 174.587 0.717 19755 8301 1 17 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.465 1.343 19755 8302 1 17 . 1 1 74 74 ILE CB C 74 40.432 40.432 41.071 -0.639 19755 8303 1 17 . 1 1 74 74 ILE H H 74 8.691 8.691 8.943 -0.252 19755 8304 1 17 . 1 1 75 75 VAL N N 75 128.967 128.967 120.935 8.032 19755 8305 1 17 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.320 -0.715 19755 8306 1 17 . 1 1 75 75 VAL C C 75 174.187 174.187 174.543 -0.356 19755 8307 1 17 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.782 1.638 19755 8308 1 17 . 1 1 75 75 VAL CB C 75 33.645 33.645 34.929 -1.284 19755 8309 1 17 . 1 1 75 75 VAL H H 75 9.178 9.178 9.089 0.089 19755 8310 1 17 . 1 1 76 76 THR HA H 76 5.743 5.743 4.970 0.773 19755 8311 1 17 . 1 1 76 76 THR CA C 76 59.957 59.957 59.446 0.512 19755 8312 1 17 . 1 1 76 76 THR CB C 76 71.833 71.833 71.634 0.199 19755 8313 1 17 . 1 1 77 77 LYS N N 77 124.204 124.204 119.917 4.287 19755 8314 1 17 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.912 -0.324 19755 8315 1 17 . 1 1 77 77 LYS CA C 77 55.751 55.751 55.108 0.643 19755 8316 1 17 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.514 -1.567 19755 8317 1 17 . 1 1 77 77 LYS H H 77 8.688 8.688 8.442 0.246 19755 8318 1 17 . 1 1 78 78 ALA N N 78 125.102 125.102 121.537 3.565 19755 8319 1 17 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.445 -0.469 19755 8320 1 17 . 1 1 78 78 ALA C C 78 176.776 176.776 176.057 0.719 19755 8321 1 17 . 1 1 78 78 ALA CA C 78 52.431 52.431 51.041 1.390 19755 8322 1 17 . 1 1 78 78 ALA CB C 78 19.542 19.542 21.238 -1.696 19755 8323 1 17 . 1 1 78 78 ALA H H 78 8.137 8.137 8.150 -0.013 19755 8324 1 17 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.616 -0.531 19755 8325 1 17 . 1 1 79 79 GLN CA C 79 55.540 55.540 54.836 0.704 19755 8326 1 17 . 1 1 79 79 GLN CB C 79 29.617 29.617 31.440 -1.823 19755 8327 1 17 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.677 -0.382 19755 8328 1 17 . 1 1 80 80 LEU CA C 80 55.034 55.034 54.912 0.122 19755 8329 1 17 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.032 0.288 19755 8330 1 17 . 1 1 81 81 SER N N 81 116.580 116.580 116.453 0.127 19755 8331 1 17 . 1 1 81 81 SER HA H 81 4.291 4.291 4.210 0.081 19755 8332 1 17 . 1 1 81 81 SER C C 81 174.770 174.770 176.008 -1.238 19755 8333 1 17 . 1 1 81 81 SER CA C 81 58.674 58.674 59.986 -1.312 19755 8334 1 17 . 1 1 81 81 SER CB C 81 63.931 63.931 63.078 0.853 19755 8335 1 17 . 1 1 81 81 SER H H 81 8.214 8.214 8.527 -0.313 19755 8336 1 17 . 1 1 82 82 LYS N N 82 122.968 122.968 122.085 0.883 19755 8337 1 17 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.108 0.175 19755 8338 1 17 . 1 1 82 82 LYS C C 82 176.222 176.222 178.568 -2.346 19755 8339 1 17 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.107 -1.565 19755 8340 1 17 . 1 1 82 82 LYS CB C 82 32.941 32.941 31.575 1.366 19755 8341 1 17 . 1 1 82 82 LYS H H 82 8.255 8.255 8.354 -0.099 19755 8342 1 17 . 1 1 83 83 ASP N N 83 120.305 120.305 119.318 0.987 19755 8343 1 17 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.530 0.016 19755 8344 1 17 . 1 1 83 83 ASP C C 83 176.527 176.527 176.893 -0.366 19755 8345 1 17 . 1 1 83 83 ASP CA C 83 54.864 54.864 55.741 -0.877 19755 8346 1 17 . 1 1 83 83 ASP CB C 83 41.156 41.156 40.944 0.212 19755 8347 1 17 . 1 1 83 83 ASP H H 83 8.158 8.158 8.112 0.046 19755 8348 1 17 . 1 1 84 84 LEU N N 84 121.499 121.499 118.789 2.710 19755 8349 1 17 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.324 -0.141 19755 8350 1 17 . 1 1 84 84 LEU C C 84 177.585 177.585 178.114 -0.529 19755 8351 1 17 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.468 -0.426 19755 8352 1 17 . 1 1 84 84 LEU CB C 84 42.379 42.379 42.577 -0.198 19755 8353 1 17 . 1 1 84 84 LEU H H 84 7.955 7.955 7.625 0.330 19755 8354 1 17 . 1 1 85 85 ASP N N 85 119.668 119.668 119.363 0.305 19755 8355 1 17 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.442 0.058 19755 8356 1 17 . 1 1 85 85 ASP C C 85 176.445 176.445 176.195 0.250 19755 8357 1 17 . 1 1 85 85 ASP CA C 85 55.143 55.143 55.284 -0.141 19755 8358 1 17 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.467 -0.351 19755 8359 1 17 . 1 1 85 85 ASP H H 85 8.207 8.207 7.975 0.232 19755 8360 1 17 . 1 1 86 86 LYS N N 86 119.760 119.760 116.318 3.442 19755 8361 1 17 . 1 1 86 86 LYS HA H 86 4.253 4.253 3.979 0.274 19755 8362 1 17 . 1 1 86 86 LYS C C 86 176.336 176.336 175.393 0.943 19755 8363 1 17 . 1 1 86 86 LYS CA C 86 56.519 56.519 57.081 -0.562 19755 8364 1 17 . 1 1 86 86 LYS CB C 86 33.072 33.072 32.183 0.889 19755 8365 1 17 . 1 1 86 86 LYS H H 86 7.843 7.843 7.943 -0.100 19755 8366 1 17 . 1 1 87 87 LEU N N 87 122.086 122.086 120.491 1.595 19755 8367 1 17 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.339 -0.030 19755 8368 1 17 . 1 1 87 87 LEU C C 87 176.952 176.952 177.555 -0.603 19755 8369 1 17 . 1 1 87 87 LEU CA C 87 55.369 55.369 54.963 0.406 19755 8370 1 17 . 1 1 87 87 LEU CB C 87 42.407 42.407 41.749 0.658 19755 8371 1 17 . 1 1 87 87 LEU H H 87 8.008 8.008 8.124 -0.116 19755 8372 1 17 . 1 1 88 88 VAL N N 88 122.409 122.409 118.988 3.421 19755 8373 1 17 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.521 -0.147 19755 8374 1 17 . 1 1 88 88 VAL C C 88 174.225 174.225 174.540 -0.315 19755 8375 1 17 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.873 0.119 19755 8376 1 17 . 1 1 88 88 VAL CB C 88 32.946 32.946 33.185 -0.239 19755 8377 1 17 . 1 1 88 88 VAL H H 88 7.919 7.919 8.193 -0.274 19755 8378 1 17 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.726 -0.356 19755 8379 1 17 . 1 1 89 89 PRO C C 89 176.035 176.035 176.355 -0.320 19755 8380 1 17 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.137 0.455 19755 8381 1 17 . 1 1 89 89 PRO CB C 89 32.218 32.218 30.726 1.492 19755 8382 1 18 . 1 1 2 2 GLU N N 2 123.952 123.952 127.521 -3.569 19755 8383 1 18 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.802 -0.121 19755 8384 1 18 . 1 1 2 2 GLU C C 2 174.704 174.704 175.250 -0.546 19755 8385 1 18 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.589 0.277 19755 8386 1 18 . 1 1 2 2 GLU CB C 2 32.406 32.406 31.264 1.142 19755 8387 1 18 . 1 1 2 2 GLU H H 2 8.571 8.571 9.137 -0.566 19755 8388 1 18 . 1 1 3 3 ILE N N 3 121.558 121.558 123.577 -2.019 19755 8389 1 18 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.280 0.432 19755 8390 1 18 . 1 1 3 3 ILE C C 3 174.736 174.736 176.559 -1.823 19755 8391 1 18 . 1 1 3 3 ILE CA C 3 60.277 60.277 60.591 -0.314 19755 8392 1 18 . 1 1 3 3 ILE CB C 3 40.861 40.861 38.260 2.601 19755 8393 1 18 . 1 1 3 3 ILE H H 3 8.565 8.565 8.600 -0.035 19755 8394 1 18 . 1 1 4 4 GLU N N 4 126.319 126.319 126.316 0.003 19755 8395 1 18 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.632 -0.071 19755 8396 1 18 . 1 1 4 4 GLU C C 4 174.708 174.708 174.495 0.213 19755 8397 1 18 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.798 0.430 19755 8398 1 18 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.712 -0.703 19755 8399 1 18 . 1 1 4 4 GLU H H 4 9.153 9.153 8.941 0.212 19755 8400 1 18 . 1 1 5 5 ARG N N 5 127.727 127.727 125.572 2.155 19755 8401 1 18 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.620 -0.061 19755 8402 1 18 . 1 1 5 5 ARG C C 5 175.807 175.807 176.169 -0.362 19755 8403 1 18 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.814 0.309 19755 8404 1 18 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.977 -0.324 19755 8405 1 18 . 1 1 5 5 ARG H H 5 9.002 9.002 8.786 0.216 19755 8406 1 18 . 1 1 6 6 ILE N N 6 129.149 129.149 127.906 1.243 19755 8407 1 18 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.920 -0.016 19755 8408 1 18 . 1 1 6 6 ILE C C 6 176.468 176.468 176.475 -0.007 19755 8409 1 18 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.776 0.195 19755 8410 1 18 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.882 0.280 19755 8411 1 18 . 1 1 6 6 ILE H H 6 8.030 8.030 8.483 -0.453 19755 8412 1 18 . 1 1 7 7 ASN N N 7 112.808 112.808 115.947 -3.139 19755 8413 1 18 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.803 -0.244 19755 8414 1 18 . 1 1 7 7 ASN C C 7 175.254 175.254 174.183 1.071 19755 8415 1 18 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.938 0.915 19755 8416 1 18 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.089 -0.814 19755 8417 1 18 . 1 1 7 7 ASN H H 7 8.147 8.147 7.831 0.316 19755 8418 1 18 . 1 1 8 8 GLU N N 8 121.087 121.087 118.646 2.441 19755 8419 1 18 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.033 0.017 19755 8420 1 18 . 1 1 8 8 GLU C C 8 176.486 176.486 176.180 0.306 19755 8421 1 18 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.078 1.724 19755 8422 1 18 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.238 0.213 19755 8423 1 18 . 1 1 8 8 GLU H H 8 8.770 8.770 8.567 0.203 19755 8424 1 18 . 1 1 9 9 HIS N N 9 113.719 113.719 113.577 0.142 19755 8425 1 18 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.840 0.125 19755 8426 1 18 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.097 -0.292 19755 8427 1 18 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.542 0.442 19755 8428 1 18 . 1 1 9 9 HIS H H 9 7.921 7.921 8.241 -0.320 19755 8429 1 18 . 1 1 10 10 THR N N 10 116.218 116.218 117.501 -1.283 19755 8430 1 18 . 1 1 10 10 THR HA H 10 5.736 5.736 5.249 0.487 19755 8431 1 18 . 1 1 10 10 THR C C 10 173.396 173.396 173.331 0.065 19755 8432 1 18 . 1 1 10 10 THR CA C 10 62.820 62.820 62.447 0.373 19755 8433 1 18 . 1 1 10 10 THR CB C 10 71.465 71.465 70.483 0.982 19755 8434 1 18 . 1 1 10 10 THR H H 10 7.349 7.349 8.760 -1.411 19755 8435 1 18 . 1 1 11 11 VAL N N 11 124.880 124.880 121.243 3.637 19755 8436 1 18 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.015 -0.158 19755 8437 1 18 . 1 1 11 11 VAL C C 11 172.156 172.156 173.826 -1.670 19755 8438 1 18 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.160 0.716 19755 8439 1 18 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.374 0.612 19755 8440 1 18 . 1 1 11 11 VAL H H 11 9.043 9.043 9.041 0.002 19755 8441 1 18 . 1 1 12 12 LYS N N 12 124.164 124.164 119.379 4.785 19755 8442 1 18 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.390 0.194 19755 8443 1 18 . 1 1 12 12 LYS C C 12 173.380 173.380 174.982 -1.602 19755 8444 1 18 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.617 -0.412 19755 8445 1 18 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.815 0.642 19755 8446 1 18 . 1 1 12 12 LYS H H 12 8.884 8.884 8.302 0.582 19755 8447 1 18 . 1 1 13 13 PHE N N 13 124.228 124.228 114.312 9.916 19755 8448 1 18 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.566 -0.238 19755 8449 1 18 . 1 1 13 13 PHE C C 13 172.237 172.237 172.892 -0.655 19755 8450 1 18 . 1 1 13 13 PHE CA C 13 55.986 55.986 55.771 0.215 19755 8451 1 18 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.337 -0.421 19755 8452 1 18 . 1 1 13 13 PHE H H 13 8.989 8.989 8.902 0.087 19755 8453 1 18 . 1 1 14 14 TYR N N 14 121.263 121.263 122.217 -0.954 19755 8454 1 18 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.375 0.012 19755 8455 1 18 . 1 1 14 14 TYR C C 14 174.713 174.713 173.614 1.099 19755 8456 1 18 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.811 0.142 19755 8457 1 18 . 1 1 14 14 TYR CB C 14 41.508 41.508 41.718 -0.210 19755 8458 1 18 . 1 1 14 14 TYR H H 14 8.670 8.670 8.905 -0.235 19755 8459 1 18 . 1 1 15 15 MET N N 15 124.869 124.869 128.873 -4.004 19755 8460 1 18 . 1 1 15 15 MET HA H 15 4.417 4.417 4.828 -0.411 19755 8461 1 18 . 1 1 15 15 MET C C 15 173.614 173.614 173.924 -0.310 19755 8462 1 18 . 1 1 15 15 MET CA C 15 54.305 54.305 53.637 0.668 19755 8463 1 18 . 1 1 15 15 MET CB C 15 37.439 37.439 35.206 2.233 19755 8464 1 18 . 1 1 15 15 MET H H 15 7.927 7.927 8.750 -0.823 19755 8465 1 18 . 1 1 16 16 SER N N 16 120.626 120.626 123.028 -2.402 19755 8466 1 18 . 1 1 16 16 SER HA H 16 4.396 4.396 4.310 0.086 19755 8467 1 18 . 1 1 16 16 SER C C 16 175.508 175.508 175.925 -0.417 19755 8468 1 18 . 1 1 16 16 SER CA C 16 57.637 57.637 57.669 -0.032 19755 8469 1 18 . 1 1 16 16 SER CB C 16 65.033 65.033 63.801 1.232 19755 8470 1 18 . 1 1 16 16 SER H H 16 9.061 9.061 8.506 0.555 19755 8471 1 18 . 1 1 17 17 TYR N N 17 119.917 119.917 124.385 -4.468 19755 8472 1 18 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.191 0.169 19755 8473 1 18 . 1 1 17 17 TYR C C 17 178.684 178.684 178.107 0.577 19755 8474 1 18 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.810 1.146 19755 8475 1 18 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.476 -0.487 19755 8476 1 18 . 1 1 17 17 TYR H H 17 8.411 8.411 8.441 -0.030 19755 8477 1 18 . 1 1 18 18 GLY N N 18 107.011 107.011 105.995 1.016 19755 8478 1 18 . 1 1 18 18 GLY C C 18 175.454 175.454 175.840 -0.386 19755 8479 1 18 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.507 0.939 19755 8480 1 18 . 1 1 18 18 GLY H H 18 8.534 8.534 8.783 -0.249 19755 8481 1 18 . 1 1 19 19 ASP N N 19 122.947 122.947 121.855 1.092 19755 8482 1 18 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.477 -0.085 19755 8483 1 18 . 1 1 19 19 ASP C C 19 179.020 179.020 178.348 0.672 19755 8484 1 18 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.130 0.313 19755 8485 1 18 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.008 -0.094 19755 8486 1 18 . 1 1 19 19 ASP H H 19 7.788 7.788 7.846 -0.058 19755 8487 1 18 . 1 1 20 20 ILE N N 20 119.114 119.114 120.256 -1.142 19755 8488 1 18 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.667 -0.139 19755 8489 1 18 . 1 1 20 20 ILE C C 20 177.939 177.939 177.989 -0.050 19755 8490 1 18 . 1 1 20 20 ILE CA C 20 66.310 66.310 65.263 1.048 19755 8491 1 18 . 1 1 20 20 ILE CB C 20 38.886 38.886 37.998 0.888 19755 8492 1 18 . 1 1 20 20 ILE H H 20 7.762 7.762 7.286 0.476 19755 8493 1 18 . 1 1 21 21 GLU N N 21 119.999 119.999 119.763 0.236 19755 8494 1 18 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.222 0.360 19755 8495 1 18 . 1 1 21 21 GLU C C 21 181.888 181.888 179.276 2.612 19755 8496 1 18 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.125 0.082 19755 8497 1 18 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.138 0.276 19755 8498 1 18 . 1 1 21 21 GLU H H 21 8.113 8.113 8.199 -0.086 19755 8499 1 18 . 1 1 22 22 ASP N N 22 122.667 122.667 119.618 3.049 19755 8500 1 18 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.468 0.006 19755 8501 1 18 . 1 1 22 22 ASP C C 22 178.184 178.184 178.566 -0.382 19755 8502 1 18 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.404 0.930 19755 8503 1 18 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.073 -0.206 19755 8504 1 18 . 1 1 22 22 ASP H H 22 8.699 8.699 7.864 0.835 19755 8505 1 18 . 1 1 23 23 ARG N N 23 116.862 116.862 117.148 -0.286 19755 8506 1 18 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.348 -0.004 19755 8507 1 18 . 1 1 23 23 ARG C C 23 176.101 176.101 176.905 -0.804 19755 8508 1 18 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.610 0.042 19755 8509 1 18 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.701 0.096 19755 8510 1 18 . 1 1 23 23 ARG H H 23 7.380 7.380 8.213 -0.833 19755 8511 1 18 . 1 1 24 24 GLY N N 24 106.318 106.318 106.061 0.257 19755 8512 1 18 . 1 1 24 24 GLY C C 24 174.117 174.117 174.707 -0.590 19755 8513 1 18 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.410 0.083 19755 8514 1 18 . 1 1 24 24 GLY H H 24 8.004 8.004 7.841 0.163 19755 8515 1 18 . 1 1 25 25 PHE N N 25 118.274 118.274 120.248 -1.974 19755 8516 1 18 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.587 0.035 19755 8517 1 18 . 1 1 25 25 PHE C C 25 174.127 174.127 175.024 -0.897 19755 8518 1 18 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.774 -0.844 19755 8519 1 18 . 1 1 25 25 PHE CB C 25 41.871 41.871 39.958 1.913 19755 8520 1 18 . 1 1 25 25 PHE H H 25 7.550 7.550 8.413 -0.863 19755 8521 1 18 . 1 1 26 26 ASP N N 26 121.320 121.320 118.156 3.164 19755 8522 1 18 . 1 1 26 26 ASP HA H 26 4.894 4.894 5.360 -0.466 19755 8523 1 18 . 1 1 26 26 ASP C C 26 177.370 177.370 177.568 -0.198 19755 8524 1 18 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.408 0.699 19755 8525 1 18 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.545 0.521 19755 8526 1 18 . 1 1 26 26 ASP H H 26 8.891 8.891 8.302 0.589 19755 8527 1 18 . 1 1 27 27 ARG N N 27 124.100 124.100 124.732 -0.632 19755 8528 1 18 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.943 -0.101 19755 8529 1 18 . 1 1 27 27 ARG C C 27 176.201 176.201 178.135 -1.934 19755 8530 1 18 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.308 0.549 19755 8531 1 18 . 1 1 27 27 ARG CB C 27 29.675 29.675 29.906 -0.231 19755 8532 1 18 . 1 1 27 27 ARG H H 27 9.033 9.033 8.823 0.210 19755 8533 1 18 . 1 1 28 28 GLU N N 28 118.451 118.451 119.334 -0.883 19755 8534 1 18 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.403 -0.366 19755 8535 1 18 . 1 1 28 28 GLU C C 28 178.889 178.889 178.946 -0.057 19755 8536 1 18 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.441 -0.186 19755 8537 1 18 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.823 -0.373 19755 8538 1 18 . 1 1 28 28 GLU H H 28 8.362 8.362 8.420 -0.058 19755 8539 1 18 . 1 1 29 29 GLU N N 29 118.302 118.302 120.169 -1.867 19755 8540 1 18 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.228 -0.143 19755 8541 1 18 . 1 1 29 29 GLU C C 29 178.137 178.137 179.117 -0.980 19755 8542 1 18 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.244 -0.284 19755 8543 1 18 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.226 1.226 19755 8544 1 18 . 1 1 29 29 GLU H H 29 7.821 7.821 8.051 -0.230 19755 8545 1 18 . 1 1 30 30 ILE N N 30 115.456 115.456 119.293 -3.837 19755 8546 1 18 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.764 -0.137 19755 8547 1 18 . 1 1 30 30 ILE C C 30 176.229 176.229 178.123 -1.894 19755 8548 1 18 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.983 -3.920 19755 8549 1 18 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.925 -0.985 19755 8550 1 18 . 1 1 30 30 ILE H H 30 7.363 7.363 8.439 -1.076 19755 8551 1 18 . 1 1 31 31 TRP N N 31 116.714 116.714 119.257 -2.543 19755 8552 1 18 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.183 -0.033 19755 8553 1 18 . 1 1 31 31 TRP C C 31 178.092 178.092 179.102 -1.010 19755 8554 1 18 . 1 1 31 31 TRP CA C 31 59.618 59.618 60.217 -0.599 19755 8555 1 18 . 1 1 31 31 TRP CB C 31 29.628 29.628 28.893 0.735 19755 8556 1 18 . 1 1 31 31 TRP H H 31 7.410 7.410 7.498 -0.088 19755 8557 1 18 . 1 1 32 32 TYR N N 32 112.769 112.769 114.073 -1.304 19755 8558 1 18 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.694 0.072 19755 8559 1 18 . 1 1 32 32 TYR C C 32 175.767 175.767 175.950 -0.183 19755 8560 1 18 . 1 1 32 32 TYR CA C 32 58.632 58.632 58.423 0.209 19755 8561 1 18 . 1 1 32 32 TYR CB C 32 40.222 40.222 38.365 1.857 19755 8562 1 18 . 1 1 32 32 TYR H H 32 7.577 7.577 7.474 0.103 19755 8563 1 18 . 1 1 33 33 ASN N N 33 120.521 120.521 119.291 1.230 19755 8564 1 18 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.033 0.015 19755 8565 1 18 . 1 1 33 33 ASN C C 33 174.851 174.851 174.474 0.377 19755 8566 1 18 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.993 -0.673 19755 8567 1 18 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.576 -0.363 19755 8568 1 18 . 1 1 33 33 ASN H H 33 8.364 8.364 7.995 0.369 19755 8569 1 18 . 1 1 34 34 ARG N N 34 126.163 126.163 125.488 0.675 19755 8570 1 18 . 1 1 34 34 ARG HA H 34 4.185 4.185 4.100 0.085 19755 8571 1 18 . 1 1 34 34 ARG C C 34 178.509 178.509 178.031 0.478 19755 8572 1 18 . 1 1 34 34 ARG CA C 34 58.504 58.504 59.513 -1.009 19755 8573 1 18 . 1 1 34 34 ARG CB C 34 29.493 29.493 29.975 -0.482 19755 8574 1 18 . 1 1 34 34 ARG H H 34 8.830 8.830 8.939 -0.109 19755 8575 1 18 . 1 1 35 35 GLU N N 35 118.994 118.994 116.768 2.226 19755 8576 1 18 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.138 0.022 19755 8577 1 18 . 1 1 35 35 GLU C C 35 179.839 179.839 178.517 1.322 19755 8578 1 18 . 1 1 35 35 GLU CA C 35 60.191 60.191 59.375 0.816 19755 8579 1 18 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.524 0.909 19755 8580 1 18 . 1 1 35 35 GLU H H 35 8.380 8.380 8.949 -0.569 19755 8581 1 18 . 1 1 36 36 ARG N N 36 119.197 119.197 118.837 0.360 19755 8582 1 18 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.547 -0.147 19755 8583 1 18 . 1 1 36 36 ARG C C 36 178.217 178.217 178.729 -0.512 19755 8584 1 18 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.716 0.678 19755 8585 1 18 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.549 -0.014 19755 8586 1 18 . 1 1 36 36 ARG H H 36 7.686 7.686 7.915 -0.229 19755 8587 1 18 . 1 1 37 37 SER N N 37 114.607 114.607 116.908 -2.301 19755 8588 1 18 . 1 1 37 37 SER HA H 37 3.899 3.899 4.200 -0.301 19755 8589 1 18 . 1 1 37 37 SER C C 37 178.298 178.298 176.347 1.951 19755 8590 1 18 . 1 1 37 37 SER CA C 37 62.455 62.455 61.886 0.570 19755 8591 1 18 . 1 1 37 37 SER CB C 37 62.542 62.542 62.759 -0.217 19755 8592 1 18 . 1 1 37 37 SER H H 37 8.282 8.282 8.202 0.080 19755 8593 1 18 . 1 1 38 38 GLU N N 38 121.063 121.063 122.187 -1.124 19755 8594 1 18 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.183 -0.427 19755 8595 1 18 . 1 1 38 38 GLU C C 38 177.182 177.182 178.912 -1.730 19755 8596 1 18 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.866 0.432 19755 8597 1 18 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.654 -0.380 19755 8598 1 18 . 1 1 38 38 GLU H H 38 7.849 7.849 8.074 -0.225 19755 8599 1 18 . 1 1 39 39 GLU N N 39 119.119 119.119 118.921 0.198 19755 8600 1 18 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.237 -0.008 19755 8601 1 18 . 1 1 39 39 GLU C C 39 179.781 179.781 178.775 1.006 19755 8602 1 18 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.803 1.369 19755 8603 1 18 . 1 1 39 39 GLU CB C 39 30.059 30.059 29.090 0.969 19755 8604 1 18 . 1 1 39 39 GLU H H 39 7.686 7.686 7.855 -0.169 19755 8605 1 18 . 1 1 40 40 LEU N N 40 120.164 120.164 120.593 -0.429 19755 8606 1 18 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.622 0.070 19755 8607 1 18 . 1 1 40 40 LEU C C 40 177.155 177.155 177.896 -0.741 19755 8608 1 18 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.122 0.142 19755 8609 1 18 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.179 -0.730 19755 8610 1 18 . 1 1 40 40 LEU H H 40 7.739 7.739 7.876 -0.137 19755 8611 1 18 . 1 1 41 41 PHE N N 41 118.207 118.207 117.117 1.090 19755 8612 1 18 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.167 -0.362 19755 8613 1 18 . 1 1 41 41 PHE C C 41 176.387 176.387 177.920 -1.533 19755 8614 1 18 . 1 1 41 41 PHE CA C 41 61.364 61.364 62.101 -0.737 19755 8615 1 18 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.053 0.015 19755 8616 1 18 . 1 1 41 41 PHE H H 41 7.825 7.825 7.315 0.510 19755 8617 1 18 . 1 1 42 42 TRP N N 42 117.448 117.448 118.118 -0.670 19755 8618 1 18 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.263 -0.139 19755 8619 1 18 . 1 1 42 42 TRP C C 42 179.071 179.071 178.278 0.793 19755 8620 1 18 . 1 1 42 42 TRP CA C 42 60.079 60.079 60.837 -0.757 19755 8621 1 18 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.307 0.147 19755 8622 1 18 . 1 1 42 42 TRP H H 42 8.266 8.266 8.861 -0.595 19755 8623 1 18 . 1 1 43 43 GLU N N 43 120.573 120.573 118.897 1.676 19755 8624 1 18 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.041 0.118 19755 8625 1 18 . 1 1 43 43 GLU C C 43 179.556 179.556 178.994 0.562 19755 8626 1 18 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.382 0.799 19755 8627 1 18 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.289 0.213 19755 8628 1 18 . 1 1 43 43 GLU H H 43 7.918 7.918 7.777 0.141 19755 8629 1 18 . 1 1 44 44 VAL N N 44 119.502 119.502 116.596 2.906 19755 8630 1 18 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.614 -0.169 19755 8631 1 18 . 1 1 44 44 VAL C C 44 178.356 178.356 177.616 0.740 19755 8632 1 18 . 1 1 44 44 VAL CA C 44 66.390 66.390 64.644 1.746 19755 8633 1 18 . 1 1 44 44 VAL CB C 44 31.220 31.220 30.305 0.915 19755 8634 1 18 . 1 1 44 44 VAL H H 44 7.947 7.947 7.600 0.347 19755 8635 1 18 . 1 1 45 45 MET N N 45 117.691 117.691 119.266 -1.575 19755 8636 1 18 . 1 1 45 45 MET HA H 45 4.118 4.118 4.152 -0.034 19755 8637 1 18 . 1 1 45 45 MET C C 45 179.207 179.207 178.722 0.485 19755 8638 1 18 . 1 1 45 45 MET CA C 45 56.677 56.677 58.059 -1.382 19755 8639 1 18 . 1 1 45 45 MET CB C 45 31.094 31.094 31.933 -0.839 19755 8640 1 18 . 1 1 45 45 MET H H 45 7.998 7.998 8.081 -0.083 19755 8641 1 18 . 1 1 46 46 ASP N N 46 119.109 119.109 120.288 -1.179 19755 8642 1 18 . 1 1 46 46 ASP HA H 46 4.541 4.541 3.811 0.730 19755 8643 1 18 . 1 1 46 46 ASP CA C 46 56.942 56.942 56.846 0.097 19755 8644 1 18 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.664 0.764 19755 8645 1 18 . 1 1 46 46 ASP H H 46 7.773 7.773 8.117 -0.344 19755 8646 1 18 . 1 1 47 47 GLU N N 47 118.018 118.018 118.253 -0.235 19755 8647 1 18 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.157 0.011 19755 8648 1 18 . 1 1 47 47 GLU C C 47 177.957 177.957 177.791 0.166 19755 8649 1 18 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.611 -0.634 19755 8650 1 18 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.733 0.670 19755 8651 1 18 . 1 1 47 47 GLU H H 47 7.608 7.608 7.755 -0.147 19755 8652 1 18 . 1 1 48 48 VAL N N 48 115.277 115.277 109.262 6.015 19755 8653 1 18 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.565 -0.460 19755 8654 1 18 . 1 1 48 48 VAL CA C 48 62.377 62.377 61.683 0.694 19755 8655 1 18 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.690 1.176 19755 8656 1 18 . 1 1 48 48 VAL H H 48 7.508 7.508 7.808 -0.300 19755 8657 1 18 . 1 1 49 49 HIS N N 49 121.222 121.222 122.560 -1.338 19755 8658 1 18 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.215 0.396 19755 8659 1 18 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.462 -2.462 19755 8660 1 18 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.055 -0.526 19755 8661 1 18 . 1 1 49 49 HIS H H 49 8.099 8.099 7.740 0.359 19755 8662 1 18 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.373 -0.151 19755 8663 1 18 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.546 -0.917 19755 8664 1 18 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.005 1.418 19755 8665 1 18 . 1 1 51 51 GLU N N 51 119.589 119.589 119.041 0.548 19755 8666 1 18 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.420 -0.186 19755 8667 1 18 . 1 1 51 51 GLU C C 51 176.279 176.279 178.786 -2.507 19755 8668 1 18 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.836 -1.289 19755 8669 1 18 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.841 -0.260 19755 8670 1 18 . 1 1 51 51 GLU H H 51 8.121 8.121 8.255 -0.134 19755 8671 1 18 . 1 1 52 52 GLU N N 52 122.410 122.410 120.603 1.807 19755 8672 1 18 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.108 0.202 19755 8673 1 18 . 1 1 52 52 GLU C C 52 176.127 176.127 178.105 -1.978 19755 8674 1 18 . 1 1 52 52 GLU CA C 52 56.508 56.508 58.889 -2.381 19755 8675 1 18 . 1 1 52 52 GLU CB C 52 30.565 30.565 29.413 1.152 19755 8676 1 18 . 1 1 52 52 GLU H H 52 8.412 8.412 8.637 -0.225 19755 8677 1 18 . 1 1 53 53 GLU N N 53 121.407 121.407 118.961 2.446 19755 8678 1 18 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.062 0.232 19755 8679 1 18 . 1 1 53 53 GLU C C 53 176.242 176.242 178.006 -1.764 19755 8680 1 18 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.704 -2.097 19755 8681 1 18 . 1 1 53 53 GLU CB C 53 30.439 30.439 29.029 1.410 19755 8682 1 18 . 1 1 53 53 GLU H H 53 8.361 8.361 8.216 0.145 19755 8683 1 18 . 1 1 54 54 PHE N N 54 121.128 121.128 119.331 1.797 19755 8684 1 18 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.617 -0.023 19755 8685 1 18 . 1 1 54 54 PHE C C 54 176.021 176.021 174.916 1.105 19755 8686 1 18 . 1 1 54 54 PHE CA C 54 57.554 57.554 57.526 0.028 19755 8687 1 18 . 1 1 54 54 PHE CB C 54 40.192 40.192 40.660 -0.468 19755 8688 1 18 . 1 1 54 54 PHE H H 54 8.147 8.147 7.932 0.215 19755 8689 1 18 . 1 1 55 55 ALA N N 55 126.124 126.124 121.100 5.024 19755 8690 1 18 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.551 -0.130 19755 8691 1 18 . 1 1 55 55 ALA C C 55 177.391 177.391 177.492 -0.101 19755 8692 1 18 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.779 -0.406 19755 8693 1 18 . 1 1 55 55 ALA CB C 55 19.512 19.512 20.599 -1.087 19755 8694 1 18 . 1 1 55 55 ALA H H 55 8.124 8.124 8.246 -0.122 19755 8695 1 18 . 1 1 56 56 VAL N N 56 119.019 119.019 117.916 1.103 19755 8696 1 18 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.433 -0.300 19755 8697 1 18 . 1 1 56 56 VAL C C 56 176.128 176.128 176.574 -0.446 19755 8698 1 18 . 1 1 56 56 VAL CA C 56 62.306 62.306 62.782 -0.476 19755 8699 1 18 . 1 1 56 56 VAL CB C 56 33.274 33.274 31.233 2.041 19755 8700 1 18 . 1 1 56 56 VAL H H 56 7.958 7.958 8.111 -0.153 19755 8701 1 18 . 1 1 57 57 GLU N N 57 124.588 124.588 118.654 5.934 19755 8702 1 18 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.132 0.363 19755 8703 1 18 . 1 1 57 57 GLU C C 57 176.082 176.082 176.640 -0.558 19755 8704 1 18 . 1 1 57 57 GLU CA C 57 56.056 56.056 57.084 -1.028 19755 8705 1 18 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.186 2.118 19755 8706 1 18 . 1 1 57 57 GLU H H 57 8.413 8.413 8.510 -0.097 19755 8707 1 18 . 1 1 58 58 GLY N N 58 110.794 110.794 108.981 1.813 19755 8708 1 18 . 1 1 58 58 GLY C C 58 170.660 170.660 172.250 -1.590 19755 8709 1 18 . 1 1 58 58 GLY CA C 58 44.857 44.857 42.945 1.912 19755 8710 1 18 . 1 1 58 58 GLY H H 58 8.040 8.040 7.460 0.580 19755 8711 1 18 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.462 -0.031 19755 8712 1 18 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.715 0.374 19755 8713 1 18 . 1 1 59 59 PRO CB C 59 32.474 32.474 33.175 -0.701 19755 8714 1 18 . 1 1 60 60 LEU N N 60 120.609 120.609 118.933 1.676 19755 8715 1 18 . 1 1 60 60 LEU C C 60 176.392 176.392 175.092 1.300 19755 8716 1 18 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.323 -0.399 19755 8717 1 18 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.648 -0.610 19755 8718 1 18 . 1 1 60 60 LEU H H 60 8.367 8.367 8.055 0.312 19755 8719 1 18 . 1 1 61 61 TRP N N 61 124.050 124.050 124.660 -0.610 19755 8720 1 18 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.858 0.103 19755 8721 1 18 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.802 -0.669 19755 8722 1 18 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.409 -2.543 19755 8723 1 18 . 1 1 61 61 TRP H H 61 9.101 9.101 8.239 0.862 19755 8724 1 18 . 1 1 62 62 ILE N N 62 121.315 121.315 121.009 0.306 19755 8725 1 18 . 1 1 62 62 ILE C C 62 174.576 174.576 174.709 -0.133 19755 8726 1 18 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.375 1.181 19755 8727 1 18 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.085 -0.446 19755 8728 1 18 . 1 1 62 62 ILE H H 62 7.863 7.863 8.506 -0.643 19755 8729 1 18 . 1 1 63 63 GLN N N 63 127.300 127.300 125.390 1.910 19755 8730 1 18 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.875 -0.341 19755 8731 1 18 . 1 1 63 63 GLN C C 63 173.768 173.768 173.520 0.248 19755 8732 1 18 . 1 1 63 63 GLN CA C 63 54.409 54.409 55.082 -0.673 19755 8733 1 18 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.292 -2.983 19755 8734 1 18 . 1 1 63 63 GLN H H 63 8.881 8.881 9.133 -0.252 19755 8735 1 18 . 1 1 64 64 VAL N N 64 123.414 123.414 121.381 2.033 19755 8736 1 18 . 1 1 64 64 VAL HA H 64 4.677 4.677 5.109 -0.432 19755 8737 1 18 . 1 1 64 64 VAL C C 64 174.737 174.737 173.727 1.010 19755 8738 1 18 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.782 0.183 19755 8739 1 18 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.584 -1.164 19755 8740 1 18 . 1 1 64 64 VAL H H 64 8.330 8.330 8.481 -0.151 19755 8741 1 18 . 1 1 65 65 GLN N N 65 125.152 125.152 124.535 0.617 19755 8742 1 18 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.815 -0.064 19755 8743 1 18 . 1 1 65 65 GLN C C 65 174.043 174.043 173.818 0.225 19755 8744 1 18 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.695 0.726 19755 8745 1 18 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.530 -0.574 19755 8746 1 18 . 1 1 65 65 GLN H H 65 8.938 8.938 8.987 -0.049 19755 8747 1 18 . 1 1 66 66 ALA N N 66 127.534 127.534 124.257 3.277 19755 8748 1 18 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.863 -0.227 19755 8749 1 18 . 1 1 66 66 ALA C C 66 176.740 176.740 176.497 0.243 19755 8750 1 18 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.866 0.935 19755 8751 1 18 . 1 1 66 66 ALA CB C 66 19.346 19.346 19.960 -0.614 19755 8752 1 18 . 1 1 66 66 ALA H H 66 8.808 8.808 8.705 0.103 19755 8753 1 18 . 1 1 67 67 LEU N N 67 124.609 124.609 121.668 2.941 19755 8754 1 18 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.732 0.053 19755 8755 1 18 . 1 1 67 67 LEU C C 67 177.190 177.190 178.297 -1.107 19755 8756 1 18 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.995 -0.410 19755 8757 1 18 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.497 -0.651 19755 8758 1 18 . 1 1 67 67 LEU H H 67 8.541 8.541 8.779 -0.238 19755 8759 1 18 . 1 1 68 68 ASP N N 68 120.713 120.713 120.614 0.099 19755 8760 1 18 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.487 -0.057 19755 8761 1 18 . 1 1 68 68 ASP C C 68 177.319 177.319 176.839 0.480 19755 8762 1 18 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.660 1.429 19755 8763 1 18 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.131 -0.216 19755 8764 1 18 . 1 1 68 68 ASP H H 68 8.539 8.539 8.774 -0.235 19755 8765 1 18 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.468 0.134 19755 8766 1 18 . 1 1 69 69 LYS C C 69 176.282 176.282 174.473 1.809 19755 8767 1 18 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.909 0.908 19755 8768 1 18 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.573 0.990 19755 8769 1 18 . 1 1 70 70 GLY N N 70 110.325 110.325 105.908 4.417 19755 8770 1 18 . 1 1 70 70 GLY C C 70 169.572 169.572 171.356 -1.784 19755 8771 1 18 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.492 -0.127 19755 8772 1 18 . 1 1 70 70 GLY H H 70 6.977 6.977 7.102 -0.125 19755 8773 1 18 . 1 1 71 71 LEU N N 71 116.716 116.716 119.142 -2.426 19755 8774 1 18 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.263 -0.247 19755 8775 1 18 . 1 1 71 71 LEU C C 71 174.299 174.299 175.050 -0.751 19755 8776 1 18 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.099 -1.042 19755 8777 1 18 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.637 -0.745 19755 8778 1 18 . 1 1 71 71 LEU H H 71 8.032 8.032 8.465 -0.433 19755 8779 1 18 . 1 1 72 72 GLU N N 72 120.507 120.507 121.662 -1.155 19755 8780 1 18 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.061 -0.095 19755 8781 1 18 . 1 1 72 72 GLU C C 72 174.588 174.588 175.339 -0.751 19755 8782 1 18 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.507 -0.473 19755 8783 1 18 . 1 1 72 72 GLU CB C 72 33.392 33.392 32.027 1.365 19755 8784 1 18 . 1 1 72 72 GLU H H 72 8.739 8.739 8.766 -0.027 19755 8785 1 18 . 1 1 73 73 ILE N N 73 127.226 127.226 124.693 2.533 19755 8786 1 18 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.539 -0.013 19755 8787 1 18 . 1 1 73 73 ILE C C 73 173.786 173.786 174.545 -0.759 19755 8788 1 18 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.481 0.947 19755 8789 1 18 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.142 -0.037 19755 8790 1 18 . 1 1 73 73 ILE H H 73 8.755 8.755 8.758 -0.003 19755 8791 1 18 . 1 1 74 74 ILE N N 74 126.107 126.107 127.984 -1.877 19755 8792 1 18 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.568 0.098 19755 8793 1 18 . 1 1 74 74 ILE C C 74 175.304 175.304 174.825 0.479 19755 8794 1 18 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.717 1.091 19755 8795 1 18 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.469 -0.037 19755 8796 1 18 . 1 1 74 74 ILE H H 74 8.691 8.691 9.007 -0.316 19755 8797 1 18 . 1 1 75 75 VAL N N 75 128.967 128.967 124.899 4.068 19755 8798 1 18 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.220 -0.615 19755 8799 1 18 . 1 1 75 75 VAL C C 75 174.187 174.187 175.252 -1.065 19755 8800 1 18 . 1 1 75 75 VAL CA C 75 61.420 61.420 60.035 1.385 19755 8801 1 18 . 1 1 75 75 VAL CB C 75 33.645 33.645 34.078 -0.433 19755 8802 1 18 . 1 1 75 75 VAL H H 75 9.178 9.178 9.277 -0.099 19755 8803 1 18 . 1 1 76 76 THR HA H 76 5.743 5.743 4.941 0.802 19755 8804 1 18 . 1 1 76 76 THR CA C 76 59.957 59.957 59.645 0.312 19755 8805 1 18 . 1 1 76 76 THR CB C 76 71.833 71.833 72.415 -0.582 19755 8806 1 18 . 1 1 77 77 LYS N N 77 124.204 124.204 120.017 4.187 19755 8807 1 18 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.876 -0.288 19755 8808 1 18 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.468 1.283 19755 8809 1 18 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.503 -1.556 19755 8810 1 18 . 1 1 77 77 LYS H H 77 8.688 8.688 8.460 0.228 19755 8811 1 18 . 1 1 78 78 ALA N N 78 125.102 125.102 123.218 1.884 19755 8812 1 18 . 1 1 78 78 ALA HA H 78 3.976 3.976 3.982 -0.006 19755 8813 1 18 . 1 1 78 78 ALA C C 78 176.776 176.776 176.857 -0.081 19755 8814 1 18 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.723 -0.292 19755 8815 1 18 . 1 1 78 78 ALA CB C 78 19.542 19.542 18.949 0.593 19755 8816 1 18 . 1 1 78 78 ALA H H 78 8.137 8.137 8.390 -0.253 19755 8817 1 18 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.418 -0.333 19755 8818 1 18 . 1 1 79 79 GLN CA C 79 55.540 55.540 55.028 0.512 19755 8819 1 18 . 1 1 79 79 GLN CB C 79 29.617 29.617 31.363 -1.746 19755 8820 1 18 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.617 -0.322 19755 8821 1 18 . 1 1 80 80 LEU CA C 80 55.034 55.034 54.223 0.811 19755 8822 1 18 . 1 1 80 80 LEU CB C 80 42.320 42.320 44.175 -1.855 19755 8823 1 18 . 1 1 81 81 SER N N 81 116.580 116.580 114.956 1.624 19755 8824 1 18 . 1 1 81 81 SER HA H 81 4.291 4.291 4.057 0.234 19755 8825 1 18 . 1 1 81 81 SER C C 81 174.770 174.770 175.645 -0.875 19755 8826 1 18 . 1 1 81 81 SER CA C 81 58.674 58.674 58.443 0.231 19755 8827 1 18 . 1 1 81 81 SER CB C 81 63.931 63.931 62.588 1.343 19755 8828 1 18 . 1 1 81 81 SER H H 81 8.214 8.214 8.668 -0.454 19755 8829 1 18 . 1 1 82 82 LYS N N 82 122.968 122.968 121.592 1.376 19755 8830 1 18 . 1 1 82 82 LYS HA H 82 4.283 4.283 3.942 0.341 19755 8831 1 18 . 1 1 82 82 LYS C C 82 176.222 176.222 177.976 -1.754 19755 8832 1 18 . 1 1 82 82 LYS CA C 82 56.542 56.542 59.228 -2.686 19755 8833 1 18 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.362 0.579 19755 8834 1 18 . 1 1 82 82 LYS H H 82 8.255 8.255 8.371 -0.116 19755 8835 1 18 . 1 1 83 83 ASP N N 83 120.305 120.305 117.877 2.428 19755 8836 1 18 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.495 0.051 19755 8837 1 18 . 1 1 83 83 ASP C C 83 176.527 176.527 176.428 0.099 19755 8838 1 18 . 1 1 83 83 ASP CA C 83 54.864 54.864 55.867 -1.003 19755 8839 1 18 . 1 1 83 83 ASP CB C 83 41.156 41.156 40.410 0.746 19755 8840 1 18 . 1 1 83 83 ASP H H 83 8.158 8.158 8.328 -0.170 19755 8841 1 18 . 1 1 84 84 LEU N N 84 121.499 121.499 117.604 3.895 19755 8842 1 18 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.522 -0.339 19755 8843 1 18 . 1 1 84 84 LEU C C 84 177.585 177.585 177.422 0.163 19755 8844 1 18 . 1 1 84 84 LEU CA C 84 56.042 56.042 55.383 0.659 19755 8845 1 18 . 1 1 84 84 LEU CB C 84 42.379 42.379 44.466 -2.087 19755 8846 1 18 . 1 1 84 84 LEU H H 84 7.955 7.955 7.608 0.347 19755 8847 1 18 . 1 1 85 85 ASP N N 85 119.668 119.668 118.831 0.837 19755 8848 1 18 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.736 -0.236 19755 8849 1 18 . 1 1 85 85 ASP C C 85 176.445 176.445 177.175 -0.730 19755 8850 1 18 . 1 1 85 85 ASP CA C 85 55.143 55.143 54.887 0.256 19755 8851 1 18 . 1 1 85 85 ASP CB C 85 41.116 41.116 42.552 -1.436 19755 8852 1 18 . 1 1 85 85 ASP H H 85 8.207 8.207 8.393 -0.186 19755 8853 1 18 . 1 1 86 86 LYS N N 86 119.760 119.760 118.796 0.964 19755 8854 1 18 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.494 -0.241 19755 8855 1 18 . 1 1 86 86 LYS C C 86 176.336 176.336 176.987 -0.651 19755 8856 1 18 . 1 1 86 86 LYS CA C 86 56.519 56.519 54.894 1.625 19755 8857 1 18 . 1 1 86 86 LYS CB C 86 33.072 33.072 33.197 -0.125 19755 8858 1 18 . 1 1 86 86 LYS H H 86 7.843 7.843 7.959 -0.116 19755 8859 1 18 . 1 1 87 87 LEU N N 87 122.086 122.086 120.754 1.332 19755 8860 1 18 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.376 -0.067 19755 8861 1 18 . 1 1 87 87 LEU C C 87 176.952 176.952 176.431 0.521 19755 8862 1 18 . 1 1 87 87 LEU CA C 87 55.369 55.369 55.495 -0.126 19755 8863 1 18 . 1 1 87 87 LEU CB C 87 42.407 42.407 42.000 0.407 19755 8864 1 18 . 1 1 87 87 LEU H H 87 8.008 8.008 7.705 0.303 19755 8865 1 18 . 1 1 88 88 VAL N N 88 122.409 122.409 115.820 6.589 19755 8866 1 18 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.688 -0.314 19755 8867 1 18 . 1 1 88 88 VAL C C 88 174.225 174.225 174.518 -0.293 19755 8868 1 18 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.609 0.383 19755 8869 1 18 . 1 1 88 88 VAL CB C 88 32.946 32.946 33.681 -0.735 19755 8870 1 18 . 1 1 88 88 VAL H H 88 7.919 7.919 7.926 -0.007 19755 8871 1 18 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.723 -0.353 19755 8872 1 18 . 1 1 89 89 PRO C C 89 176.035 176.035 176.273 -0.238 19755 8873 1 18 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.091 0.501 19755 8874 1 18 . 1 1 89 89 PRO CB C 89 32.218 32.218 30.706 1.512 19755 8875 1 19 . 1 1 2 2 GLU N N 2 123.952 123.952 121.775 2.177 19755 8876 1 19 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.784 -0.103 19755 8877 1 19 . 1 1 2 2 GLU C C 2 174.704 174.704 175.789 -1.085 19755 8878 1 19 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.083 0.783 19755 8879 1 19 . 1 1 2 2 GLU CB C 2 32.406 32.406 30.450 1.956 19755 8880 1 19 . 1 1 2 2 GLU H H 2 8.571 8.571 8.537 0.034 19755 8881 1 19 . 1 1 3 3 ILE N N 3 121.558 121.558 122.235 -0.677 19755 8882 1 19 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.264 0.448 19755 8883 1 19 . 1 1 3 3 ILE C C 3 174.736 174.736 176.700 -1.964 19755 8884 1 19 . 1 1 3 3 ILE CA C 3 60.277 60.277 61.293 -1.016 19755 8885 1 19 . 1 1 3 3 ILE CB C 3 40.861 40.861 38.121 2.740 19755 8886 1 19 . 1 1 3 3 ILE H H 3 8.565 8.565 8.373 0.192 19755 8887 1 19 . 1 1 4 4 GLU N N 4 126.319 126.319 125.937 0.382 19755 8888 1 19 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.574 -0.013 19755 8889 1 19 . 1 1 4 4 GLU C C 4 174.708 174.708 174.586 0.122 19755 8890 1 19 . 1 1 4 4 GLU CA C 4 55.228 55.228 55.094 0.134 19755 8891 1 19 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.287 -0.278 19755 8892 1 19 . 1 1 4 4 GLU H H 4 9.153 9.153 9.018 0.135 19755 8893 1 19 . 1 1 5 5 ARG N N 5 127.727 127.727 127.750 -0.023 19755 8894 1 19 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.312 0.248 19755 8895 1 19 . 1 1 5 5 ARG C C 5 175.807 175.807 176.004 -0.197 19755 8896 1 19 . 1 1 5 5 ARG CA C 5 55.123 55.123 55.973 -0.850 19755 8897 1 19 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.445 0.208 19755 8898 1 19 . 1 1 5 5 ARG H H 5 9.002 9.002 8.932 0.070 19755 8899 1 19 . 1 1 6 6 ILE N N 6 129.149 129.149 129.044 0.105 19755 8900 1 19 . 1 1 6 6 ILE HA H 6 3.904 3.904 4.032 -0.128 19755 8901 1 19 . 1 1 6 6 ILE C C 6 176.468 176.468 176.704 -0.236 19755 8902 1 19 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.534 0.437 19755 8903 1 19 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.996 0.166 19755 8904 1 19 . 1 1 6 6 ILE H H 6 8.030 8.030 8.528 -0.498 19755 8905 1 19 . 1 1 7 7 ASN N N 7 112.808 112.808 117.203 -4.395 19755 8906 1 19 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.748 -0.189 19755 8907 1 19 . 1 1 7 7 ASN C C 7 175.254 175.254 174.627 0.627 19755 8908 1 19 . 1 1 7 7 ASN CA C 7 52.853 52.853 52.236 0.618 19755 8909 1 19 . 1 1 7 7 ASN CB C 7 38.275 38.275 38.854 -0.579 19755 8910 1 19 . 1 1 7 7 ASN H H 7 8.147 8.147 7.732 0.415 19755 8911 1 19 . 1 1 8 8 GLU N N 8 121.087 121.087 117.809 3.278 19755 8912 1 19 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.055 -0.005 19755 8913 1 19 . 1 1 8 8 GLU C C 8 176.486 176.486 176.427 0.059 19755 8914 1 19 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.253 1.549 19755 8915 1 19 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.315 0.136 19755 8916 1 19 . 1 1 8 8 GLU H H 8 8.770 8.770 8.619 0.151 19755 8917 1 19 . 1 1 9 9 HIS N N 9 113.719 113.719 114.721 -1.002 19755 8918 1 19 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.740 0.225 19755 8919 1 19 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.455 -0.650 19755 8920 1 19 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.742 0.242 19755 8921 1 19 . 1 1 9 9 HIS H H 9 7.921 7.921 8.397 -0.476 19755 8922 1 19 . 1 1 10 10 THR N N 10 116.218 116.218 117.435 -1.217 19755 8923 1 19 . 1 1 10 10 THR HA H 10 5.736 5.736 5.043 0.693 19755 8924 1 19 . 1 1 10 10 THR C C 10 173.396 173.396 173.929 -0.533 19755 8925 1 19 . 1 1 10 10 THR CA C 10 62.820 62.820 63.207 -0.387 19755 8926 1 19 . 1 1 10 10 THR CB C 10 71.465 71.465 69.730 1.735 19755 8927 1 19 . 1 1 10 10 THR H H 10 7.349 7.349 8.836 -1.487 19755 8928 1 19 . 1 1 11 11 VAL N N 11 124.880 124.880 120.808 4.072 19755 8929 1 19 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.244 -0.387 19755 8930 1 19 . 1 1 11 11 VAL C C 11 172.156 172.156 173.797 -1.641 19755 8931 1 19 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.289 0.587 19755 8932 1 19 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.469 0.517 19755 8933 1 19 . 1 1 11 11 VAL H H 11 9.043 9.043 9.015 0.028 19755 8934 1 19 . 1 1 12 12 LYS N N 12 124.164 124.164 119.718 4.446 19755 8935 1 19 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.371 0.213 19755 8936 1 19 . 1 1 12 12 LYS C C 12 173.380 173.380 174.931 -1.551 19755 8937 1 19 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.326 -0.121 19755 8938 1 19 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.857 0.600 19755 8939 1 19 . 1 1 12 12 LYS H H 12 8.884 8.884 9.086 -0.202 19755 8940 1 19 . 1 1 13 13 PHE N N 13 124.228 124.228 113.898 10.330 19755 8941 1 19 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.485 -0.157 19755 8942 1 19 . 1 1 13 13 PHE C C 13 172.237 172.237 172.941 -0.704 19755 8943 1 19 . 1 1 13 13 PHE CA C 13 55.986 55.986 55.975 0.011 19755 8944 1 19 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.112 -0.196 19755 8945 1 19 . 1 1 13 13 PHE H H 13 8.989 8.989 8.803 0.186 19755 8946 1 19 . 1 1 14 14 TYR N N 14 121.263 121.263 122.543 -1.280 19755 8947 1 19 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.377 0.010 19755 8948 1 19 . 1 1 14 14 TYR C C 14 174.713 174.713 173.747 0.966 19755 8949 1 19 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.799 0.154 19755 8950 1 19 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.086 -0.578 19755 8951 1 19 . 1 1 14 14 TYR H H 14 8.670 8.670 8.875 -0.205 19755 8952 1 19 . 1 1 15 15 MET N N 15 124.869 124.869 126.443 -1.574 19755 8953 1 19 . 1 1 15 15 MET HA H 15 4.417 4.417 4.612 -0.195 19755 8954 1 19 . 1 1 15 15 MET C C 15 173.614 173.614 173.701 -0.087 19755 8955 1 19 . 1 1 15 15 MET CA C 15 54.305 54.305 54.559 -0.255 19755 8956 1 19 . 1 1 15 15 MET CB C 15 37.439 37.439 35.219 2.220 19755 8957 1 19 . 1 1 15 15 MET H H 15 7.927 7.927 8.536 -0.609 19755 8958 1 19 . 1 1 16 16 SER N N 16 120.626 120.626 123.121 -2.495 19755 8959 1 19 . 1 1 16 16 SER HA H 16 4.396 4.396 4.283 0.113 19755 8960 1 19 . 1 1 16 16 SER C C 16 175.508 175.508 176.077 -0.569 19755 8961 1 19 . 1 1 16 16 SER CA C 16 57.637 57.637 58.513 -0.876 19755 8962 1 19 . 1 1 16 16 SER CB C 16 65.033 65.033 63.817 1.216 19755 8963 1 19 . 1 1 16 16 SER H H 16 9.061 9.061 8.425 0.636 19755 8964 1 19 . 1 1 17 17 TYR N N 17 119.917 119.917 123.447 -3.530 19755 8965 1 19 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.241 0.119 19755 8966 1 19 . 1 1 17 17 TYR C C 17 178.684 178.684 178.077 0.607 19755 8967 1 19 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.273 1.683 19755 8968 1 19 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.586 -0.597 19755 8969 1 19 . 1 1 17 17 TYR H H 17 8.411 8.411 8.530 -0.119 19755 8970 1 19 . 1 1 18 18 GLY N N 18 107.011 107.011 105.195 1.816 19755 8971 1 19 . 1 1 18 18 GLY C C 18 175.454 175.454 175.563 -0.109 19755 8972 1 19 . 1 1 18 18 GLY CA C 18 47.446 47.446 45.433 2.013 19755 8973 1 19 . 1 1 18 18 GLY H H 18 8.534 8.534 8.643 -0.109 19755 8974 1 19 . 1 1 19 19 ASP N N 19 122.947 122.947 123.007 -0.060 19755 8975 1 19 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.423 -0.031 19755 8976 1 19 . 1 1 19 19 ASP C C 19 179.020 179.020 178.072 0.948 19755 8977 1 19 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.435 0.008 19755 8978 1 19 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.078 -0.164 19755 8979 1 19 . 1 1 19 19 ASP H H 19 7.788 7.788 7.890 -0.102 19755 8980 1 19 . 1 1 20 20 ILE N N 20 119.114 119.114 119.388 -0.274 19755 8981 1 19 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.672 -0.144 19755 8982 1 19 . 1 1 20 20 ILE C C 20 177.939 177.939 177.488 0.451 19755 8983 1 19 . 1 1 20 20 ILE CA C 20 66.310 66.310 65.621 0.689 19755 8984 1 19 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.294 0.592 19755 8985 1 19 . 1 1 20 20 ILE H H 20 7.762 7.762 7.420 0.342 19755 8986 1 19 . 1 1 21 21 GLU N N 21 119.999 119.999 120.390 -0.391 19755 8987 1 19 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.249 0.333 19755 8988 1 19 . 1 1 21 21 GLU C C 21 181.888 181.888 178.573 3.315 19755 8989 1 19 . 1 1 21 21 GLU CA C 21 59.207 59.207 58.936 0.271 19755 8990 1 19 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.345 0.070 19755 8991 1 19 . 1 1 21 21 GLU H H 21 8.113 8.113 8.229 -0.116 19755 8992 1 19 . 1 1 22 22 ASP N N 22 122.667 122.667 120.463 2.204 19755 8993 1 19 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.446 0.028 19755 8994 1 19 . 1 1 22 22 ASP C C 22 178.184 178.184 178.468 -0.284 19755 8995 1 19 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.510 0.825 19755 8996 1 19 . 1 1 22 22 ASP CB C 22 40.867 40.867 40.951 -0.084 19755 8997 1 19 . 1 1 22 22 ASP H H 22 8.699 8.699 7.899 0.800 19755 8998 1 19 . 1 1 23 23 ARG N N 23 116.862 116.862 117.736 -0.874 19755 8999 1 19 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.324 0.020 19755 9000 1 19 . 1 1 23 23 ARG C C 23 176.101 176.101 177.218 -1.117 19755 9001 1 19 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.871 -0.219 19755 9002 1 19 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.716 0.081 19755 9003 1 19 . 1 1 23 23 ARG H H 23 7.380 7.380 7.714 -0.334 19755 9004 1 19 . 1 1 24 24 GLY N N 24 106.318 106.318 105.806 0.512 19755 9005 1 19 . 1 1 24 24 GLY C C 24 174.117 174.117 174.644 -0.527 19755 9006 1 19 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.325 0.168 19755 9007 1 19 . 1 1 24 24 GLY H H 24 8.004 8.004 7.887 0.117 19755 9008 1 19 . 1 1 25 25 PHE N N 25 118.274 118.274 120.294 -2.020 19755 9009 1 19 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.682 -0.060 19755 9010 1 19 . 1 1 25 25 PHE C C 25 174.127 174.127 174.986 -0.859 19755 9011 1 19 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.444 -0.514 19755 9012 1 19 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.126 1.745 19755 9013 1 19 . 1 1 25 25 PHE H H 25 7.550 7.550 8.222 -0.672 19755 9014 1 19 . 1 1 26 26 ASP N N 26 121.320 121.320 118.281 3.039 19755 9015 1 19 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.928 -0.034 19755 9016 1 19 . 1 1 26 26 ASP C C 26 177.370 177.370 177.123 0.247 19755 9017 1 19 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.539 0.568 19755 9018 1 19 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.811 0.255 19755 9019 1 19 . 1 1 26 26 ASP H H 26 8.891 8.891 8.464 0.427 19755 9020 1 19 . 1 1 27 27 ARG N N 27 124.100 124.100 124.196 -0.096 19755 9021 1 19 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.916 -0.074 19755 9022 1 19 . 1 1 27 27 ARG C C 27 176.201 176.201 177.751 -1.550 19755 9023 1 19 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.239 0.618 19755 9024 1 19 . 1 1 27 27 ARG CB C 27 29.675 29.675 29.847 -0.172 19755 9025 1 19 . 1 1 27 27 ARG H H 27 9.033 9.033 8.824 0.209 19755 9026 1 19 . 1 1 28 28 GLU N N 28 118.451 118.451 119.372 -0.921 19755 9027 1 19 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.271 -0.234 19755 9028 1 19 . 1 1 28 28 GLU C C 28 178.889 178.889 178.811 0.078 19755 9029 1 19 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.313 -0.058 19755 9030 1 19 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.506 -0.056 19755 9031 1 19 . 1 1 28 28 GLU H H 28 8.362 8.362 7.963 0.399 19755 9032 1 19 . 1 1 29 29 GLU N N 29 118.302 118.302 119.810 -1.508 19755 9033 1 19 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.213 -0.128 19755 9034 1 19 . 1 1 29 29 GLU C C 29 178.137 178.137 179.008 -0.871 19755 9035 1 19 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.214 -0.254 19755 9036 1 19 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.188 1.264 19755 9037 1 19 . 1 1 29 29 GLU H H 29 7.821 7.821 8.351 -0.530 19755 9038 1 19 . 1 1 30 30 ILE N N 30 115.456 115.456 117.765 -2.309 19755 9039 1 19 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.837 -0.210 19755 9040 1 19 . 1 1 30 30 ILE C C 30 176.229 176.229 177.714 -1.485 19755 9041 1 19 . 1 1 30 30 ILE CA C 30 62.063 62.063 64.959 -2.896 19755 9042 1 19 . 1 1 30 30 ILE CB C 30 35.940 35.940 37.073 -1.133 19755 9043 1 19 . 1 1 30 30 ILE H H 30 7.363 7.363 8.222 -0.859 19755 9044 1 19 . 1 1 31 31 TRP N N 31 116.714 116.714 117.068 -0.354 19755 9045 1 19 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.276 -0.126 19755 9046 1 19 . 1 1 31 31 TRP C C 31 178.092 178.092 177.267 0.825 19755 9047 1 19 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.560 1.058 19755 9048 1 19 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.279 0.349 19755 9049 1 19 . 1 1 31 31 TRP H H 31 7.410 7.410 7.076 0.334 19755 9050 1 19 . 1 1 32 32 TYR N N 32 112.769 112.769 112.819 -0.050 19755 9051 1 19 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.784 -0.018 19755 9052 1 19 . 1 1 32 32 TYR C C 32 175.767 175.767 175.208 0.559 19755 9053 1 19 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.301 1.331 19755 9054 1 19 . 1 1 32 32 TYR CB C 32 40.222 40.222 38.877 1.345 19755 9055 1 19 . 1 1 32 32 TYR H H 32 7.577 7.577 7.316 0.262 19755 9056 1 19 . 1 1 33 33 ASN N N 33 120.521 120.521 119.828 0.693 19755 9057 1 19 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.186 -0.138 19755 9058 1 19 . 1 1 33 33 ASN C C 33 174.851 174.851 174.951 -0.100 19755 9059 1 19 . 1 1 33 33 ASN CA C 33 52.320 52.320 53.005 -0.685 19755 9060 1 19 . 1 1 33 33 ASN CB C 33 39.213 39.213 40.343 -1.130 19755 9061 1 19 . 1 1 33 33 ASN H H 33 8.364 8.364 7.958 0.406 19755 9062 1 19 . 1 1 34 34 ARG N N 34 126.163 126.163 125.032 1.131 19755 9063 1 19 . 1 1 34 34 ARG HA H 34 4.185 4.185 4.044 0.141 19755 9064 1 19 . 1 1 34 34 ARG C C 34 178.509 178.509 176.831 1.678 19755 9065 1 19 . 1 1 34 34 ARG CA C 34 58.504 58.504 59.069 -0.565 19755 9066 1 19 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.319 -0.826 19755 9067 1 19 . 1 1 34 34 ARG H H 34 8.830 8.830 8.963 -0.133 19755 9068 1 19 . 1 1 35 35 GLU N N 35 118.994 118.994 116.970 2.024 19755 9069 1 19 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.429 -0.269 19755 9070 1 19 . 1 1 35 35 GLU C C 35 179.839 179.839 177.818 2.021 19755 9071 1 19 . 1 1 35 35 GLU CA C 35 60.191 60.191 57.763 2.429 19755 9072 1 19 . 1 1 35 35 GLU CB C 35 29.433 29.433 29.327 0.106 19755 9073 1 19 . 1 1 35 35 GLU H H 35 8.380 8.380 8.561 -0.181 19755 9074 1 19 . 1 1 36 36 ARG N N 36 119.197 119.197 120.782 -1.585 19755 9075 1 19 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.540 -0.140 19755 9076 1 19 . 1 1 36 36 ARG C C 36 178.217 178.217 178.709 -0.492 19755 9077 1 19 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.964 0.430 19755 9078 1 19 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.808 -0.273 19755 9079 1 19 . 1 1 36 36 ARG H H 36 7.686 7.686 7.642 0.044 19755 9080 1 19 . 1 1 37 37 SER N N 37 114.607 114.607 115.534 -0.927 19755 9081 1 19 . 1 1 37 37 SER HA H 37 3.899 3.899 4.202 -0.303 19755 9082 1 19 . 1 1 37 37 SER C C 37 178.298 178.298 176.318 1.980 19755 9083 1 19 . 1 1 37 37 SER CA C 37 62.455 62.455 61.627 0.829 19755 9084 1 19 . 1 1 37 37 SER CB C 37 62.542 62.542 62.993 -0.451 19755 9085 1 19 . 1 1 37 37 SER H H 37 8.282 8.282 8.519 -0.237 19755 9086 1 19 . 1 1 38 38 GLU N N 38 121.063 121.063 121.697 -0.634 19755 9087 1 19 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.257 -0.501 19755 9088 1 19 . 1 1 38 38 GLU C C 38 177.182 177.182 178.684 -1.502 19755 9089 1 19 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.827 0.471 19755 9090 1 19 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.495 -0.221 19755 9091 1 19 . 1 1 38 38 GLU H H 38 7.849 7.849 8.865 -1.016 19755 9092 1 19 . 1 1 39 39 GLU N N 39 119.119 119.119 118.965 0.154 19755 9093 1 19 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.225 0.004 19755 9094 1 19 . 1 1 39 39 GLU C C 39 179.781 179.781 178.955 0.826 19755 9095 1 19 . 1 1 39 39 GLU CA C 39 60.172 60.172 59.039 1.133 19755 9096 1 19 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.807 1.252 19755 9097 1 19 . 1 1 39 39 GLU H H 39 7.686 7.686 8.068 -0.382 19755 9098 1 19 . 1 1 40 40 LEU N N 40 120.164 120.164 120.674 -0.510 19755 9099 1 19 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.613 0.079 19755 9100 1 19 . 1 1 40 40 LEU C C 40 177.155 177.155 177.786 -0.631 19755 9101 1 19 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.638 -0.374 19755 9102 1 19 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.201 -0.752 19755 9103 1 19 . 1 1 40 40 LEU H H 40 7.739 7.739 7.603 0.136 19755 9104 1 19 . 1 1 41 41 PHE N N 41 118.207 118.207 116.618 1.589 19755 9105 1 19 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.165 -0.360 19755 9106 1 19 . 1 1 41 41 PHE C C 41 176.387 176.387 177.950 -1.563 19755 9107 1 19 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.701 -0.337 19755 9108 1 19 . 1 1 41 41 PHE CB C 41 38.069 38.069 37.972 0.097 19755 9109 1 19 . 1 1 41 41 PHE H H 41 7.825 7.825 7.353 0.472 19755 9110 1 19 . 1 1 42 42 TRP N N 42 117.448 117.448 119.388 -1.940 19755 9111 1 19 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.217 -0.093 19755 9112 1 19 . 1 1 42 42 TRP C C 42 179.071 179.071 178.719 0.352 19755 9113 1 19 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.154 -1.075 19755 9114 1 19 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.247 0.207 19755 9115 1 19 . 1 1 42 42 TRP H H 42 8.266 8.266 8.692 -0.426 19755 9116 1 19 . 1 1 43 43 GLU N N 43 120.573 120.573 118.555 2.018 19755 9117 1 19 . 1 1 43 43 GLU HA H 43 4.159 4.159 3.996 0.163 19755 9118 1 19 . 1 1 43 43 GLU C C 43 179.556 179.556 179.125 0.431 19755 9119 1 19 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.764 0.417 19755 9120 1 19 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.373 0.129 19755 9121 1 19 . 1 1 43 43 GLU H H 43 7.918 7.918 7.986 -0.068 19755 9122 1 19 . 1 1 44 44 VAL N N 44 119.502 119.502 115.601 3.901 19755 9123 1 19 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.558 -0.113 19755 9124 1 19 . 1 1 44 44 VAL C C 44 178.356 178.356 177.597 0.759 19755 9125 1 19 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.119 1.271 19755 9126 1 19 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.199 0.021 19755 9127 1 19 . 1 1 44 44 VAL H H 44 7.947 7.947 7.524 0.423 19755 9128 1 19 . 1 1 45 45 MET N N 45 117.691 117.691 119.439 -1.748 19755 9129 1 19 . 1 1 45 45 MET HA H 45 4.118 4.118 4.065 0.053 19755 9130 1 19 . 1 1 45 45 MET C C 45 179.207 179.207 178.726 0.481 19755 9131 1 19 . 1 1 45 45 MET CA C 45 56.677 56.677 58.130 -1.453 19755 9132 1 19 . 1 1 45 45 MET CB C 45 31.094 31.094 31.770 -0.676 19755 9133 1 19 . 1 1 45 45 MET H H 45 7.998 7.998 7.998 0.000 19755 9134 1 19 . 1 1 46 46 ASP N N 46 119.109 119.109 120.940 -1.831 19755 9135 1 19 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.375 0.166 19755 9136 1 19 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.489 -0.547 19755 9137 1 19 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.763 0.665 19755 9138 1 19 . 1 1 46 46 ASP H H 46 7.773 7.773 8.424 -0.651 19755 9139 1 19 . 1 1 47 47 GLU N N 47 118.018 118.018 117.973 0.045 19755 9140 1 19 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.139 0.029 19755 9141 1 19 . 1 1 47 47 GLU C C 47 177.957 177.957 177.545 0.412 19755 9142 1 19 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.226 -0.249 19755 9143 1 19 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.769 0.634 19755 9144 1 19 . 1 1 47 47 GLU H H 47 7.608 7.608 7.895 -0.287 19755 9145 1 19 . 1 1 48 48 VAL N N 48 115.277 115.277 115.548 -0.271 19755 9146 1 19 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.259 -0.154 19755 9147 1 19 . 1 1 48 48 VAL CA C 48 62.377 62.377 61.498 0.879 19755 9148 1 19 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.893 0.973 19755 9149 1 19 . 1 1 48 48 VAL H H 48 7.508 7.508 7.585 -0.077 19755 9150 1 19 . 1 1 49 49 HIS N N 49 121.222 121.222 122.250 -1.028 19755 9151 1 19 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.121 0.490 19755 9152 1 19 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.618 -2.618 19755 9153 1 19 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.376 -0.847 19755 9154 1 19 . 1 1 49 49 HIS H H 49 8.099 8.099 7.948 0.151 19755 9155 1 19 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.225 -0.003 19755 9156 1 19 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.437 -0.807 19755 9157 1 19 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.335 1.087 19755 9158 1 19 . 1 1 51 51 GLU N N 51 119.589 119.589 118.007 1.582 19755 9159 1 19 . 1 1 51 51 GLU HA H 51 4.234 4.234 3.509 0.725 19755 9160 1 19 . 1 1 51 51 GLU C C 51 176.279 176.279 177.945 -1.666 19755 9161 1 19 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.159 -0.612 19755 9162 1 19 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.708 -0.127 19755 9163 1 19 . 1 1 51 51 GLU H H 51 8.121 8.121 8.108 0.013 19755 9164 1 19 . 1 1 52 52 GLU N N 52 122.410 122.410 120.559 1.851 19755 9165 1 19 . 1 1 52 52 GLU HA H 52 4.310 4.310 3.879 0.431 19755 9166 1 19 . 1 1 52 52 GLU C C 52 176.127 176.127 178.474 -2.347 19755 9167 1 19 . 1 1 52 52 GLU CA C 52 56.508 56.508 59.122 -2.614 19755 9168 1 19 . 1 1 52 52 GLU CB C 52 30.565 30.565 29.275 1.290 19755 9169 1 19 . 1 1 52 52 GLU H H 52 8.412 8.412 8.263 0.149 19755 9170 1 19 . 1 1 53 53 GLU N N 53 121.407 121.407 117.700 3.707 19755 9171 1 19 . 1 1 53 53 GLU HA H 53 4.294 4.294 4.044 0.250 19755 9172 1 19 . 1 1 53 53 GLU C C 53 176.242 176.242 177.641 -1.399 19755 9173 1 19 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.357 -1.750 19755 9174 1 19 . 1 1 53 53 GLU CB C 53 30.439 30.439 29.079 1.360 19755 9175 1 19 . 1 1 53 53 GLU H H 53 8.361 8.361 8.023 0.338 19755 9176 1 19 . 1 1 54 54 PHE N N 54 121.128 121.128 111.287 9.841 19755 9177 1 19 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.929 -0.335 19755 9178 1 19 . 1 1 54 54 PHE C C 54 176.021 176.021 174.432 1.589 19755 9179 1 19 . 1 1 54 54 PHE CA C 54 57.554 57.554 55.269 2.285 19755 9180 1 19 . 1 1 54 54 PHE CB C 54 40.192 40.192 39.450 0.742 19755 9181 1 19 . 1 1 54 54 PHE H H 54 8.147 8.147 7.246 0.901 19755 9182 1 19 . 1 1 55 55 ALA N N 55 126.124 126.124 121.118 5.006 19755 9183 1 19 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.834 -0.413 19755 9184 1 19 . 1 1 55 55 ALA C C 55 177.391 177.391 177.370 0.021 19755 9185 1 19 . 1 1 55 55 ALA CA C 55 52.373 52.373 51.424 0.949 19755 9186 1 19 . 1 1 55 55 ALA CB C 55 19.512 19.512 21.756 -2.244 19755 9187 1 19 . 1 1 55 55 ALA H H 55 8.124 8.124 7.881 0.243 19755 9188 1 19 . 1 1 56 56 VAL N N 56 119.019 119.019 122.713 -3.694 19755 9189 1 19 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.055 0.078 19755 9190 1 19 . 1 1 56 56 VAL C C 56 176.128 176.128 174.557 1.571 19755 9191 1 19 . 1 1 56 56 VAL CA C 56 62.306 62.306 62.991 -0.685 19755 9192 1 19 . 1 1 56 56 VAL CB C 56 33.274 33.274 29.609 3.665 19755 9193 1 19 . 1 1 56 56 VAL H H 56 7.958 7.958 8.144 -0.186 19755 9194 1 19 . 1 1 57 57 GLU N N 57 124.588 124.588 123.109 1.479 19755 9195 1 19 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.545 -0.050 19755 9196 1 19 . 1 1 57 57 GLU C C 57 176.082 176.082 175.220 0.862 19755 9197 1 19 . 1 1 57 57 GLU CA C 57 56.056 56.056 55.893 0.163 19755 9198 1 19 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.995 1.308 19755 9199 1 19 . 1 1 57 57 GLU H H 57 8.413 8.413 8.463 -0.050 19755 9200 1 19 . 1 1 58 58 GLY N N 58 110.794 110.794 108.821 1.973 19755 9201 1 19 . 1 1 58 58 GLY C C 58 170.660 170.660 172.130 -1.470 19755 9202 1 19 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.674 0.183 19755 9203 1 19 . 1 1 58 58 GLY H H 58 8.040 8.040 8.007 0.033 19755 9204 1 19 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.441 -0.010 19755 9205 1 19 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.405 0.683 19755 9206 1 19 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.574 -0.100 19755 9207 1 19 . 1 1 60 60 LEU N N 60 120.609 120.609 119.754 0.855 19755 9208 1 19 . 1 1 60 60 LEU C C 60 176.392 176.392 174.849 1.543 19755 9209 1 19 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.278 -0.354 19755 9210 1 19 . 1 1 60 60 LEU CB C 60 45.038 45.038 45.392 -0.354 19755 9211 1 19 . 1 1 60 60 LEU H H 60 8.367 8.367 7.974 0.393 19755 9212 1 19 . 1 1 61 61 TRP N N 61 124.050 124.050 125.295 -1.245 19755 9213 1 19 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.907 0.054 19755 9214 1 19 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.589 -0.456 19755 9215 1 19 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.266 -2.400 19755 9216 1 19 . 1 1 61 61 TRP H H 61 9.101 9.101 8.469 0.632 19755 9217 1 19 . 1 1 62 62 ILE N N 62 121.315 121.315 121.827 -0.512 19755 9218 1 19 . 1 1 62 62 ILE C C 62 174.576 174.576 175.021 -0.445 19755 9219 1 19 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.784 0.772 19755 9220 1 19 . 1 1 62 62 ILE CB C 62 40.639 40.639 40.996 -0.357 19755 9221 1 19 . 1 1 62 62 ILE H H 62 7.863 7.863 8.459 -0.596 19755 9222 1 19 . 1 1 63 63 GLN N N 63 127.300 127.300 124.495 2.805 19755 9223 1 19 . 1 1 63 63 GLN HA H 63 4.534 4.534 5.018 -0.484 19755 9224 1 19 . 1 1 63 63 GLN C C 63 173.768 173.768 173.364 0.404 19755 9225 1 19 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.519 -0.110 19755 9226 1 19 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.150 -2.841 19755 9227 1 19 . 1 1 63 63 GLN H H 63 8.881 8.881 9.285 -0.404 19755 9228 1 19 . 1 1 64 64 VAL N N 64 123.414 123.414 119.767 3.647 19755 9229 1 19 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.999 -0.322 19755 9230 1 19 . 1 1 64 64 VAL C C 64 174.737 174.737 173.813 0.924 19755 9231 1 19 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.350 0.615 19755 9232 1 19 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.210 -0.790 19755 9233 1 19 . 1 1 64 64 VAL H H 64 8.330 8.330 8.500 -0.170 19755 9234 1 19 . 1 1 65 65 GLN N N 65 125.152 125.152 123.505 1.647 19755 9235 1 19 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.799 -0.048 19755 9236 1 19 . 1 1 65 65 GLN C C 65 174.043 174.043 173.924 0.119 19755 9237 1 19 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.705 0.716 19755 9238 1 19 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.652 -0.696 19755 9239 1 19 . 1 1 65 65 GLN H H 65 8.938 8.938 8.970 -0.032 19755 9240 1 19 . 1 1 66 66 ALA N N 66 127.534 127.534 124.490 3.044 19755 9241 1 19 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.853 -0.217 19755 9242 1 19 . 1 1 66 66 ALA C C 66 176.740 176.740 176.592 0.148 19755 9243 1 19 . 1 1 66 66 ALA CA C 66 52.801 52.801 52.175 0.626 19755 9244 1 19 . 1 1 66 66 ALA CB C 66 19.346 19.346 19.831 -0.485 19755 9245 1 19 . 1 1 66 66 ALA H H 66 8.808 8.808 8.744 0.064 19755 9246 1 19 . 1 1 67 67 LEU N N 67 124.609 124.609 121.948 2.661 19755 9247 1 19 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.736 0.049 19755 9248 1 19 . 1 1 67 67 LEU C C 67 177.190 177.190 178.244 -1.054 19755 9249 1 19 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.931 -0.346 19755 9250 1 19 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.580 -0.734 19755 9251 1 19 . 1 1 67 67 LEU H H 67 8.541 8.541 8.781 -0.240 19755 9252 1 19 . 1 1 68 68 ASP N N 68 120.713 120.713 119.835 0.878 19755 9253 1 19 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.485 -0.055 19755 9254 1 19 . 1 1 68 68 ASP C C 68 177.319 177.319 176.303 1.016 19755 9255 1 19 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.458 1.632 19755 9256 1 19 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.212 -0.297 19755 9257 1 19 . 1 1 68 68 ASP H H 68 8.539 8.539 8.772 -0.233 19755 9258 1 19 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.223 0.379 19755 9259 1 19 . 1 1 69 69 LYS C C 69 176.282 176.282 174.246 2.036 19755 9260 1 19 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.768 1.049 19755 9261 1 19 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.455 1.108 19755 9262 1 19 . 1 1 70 70 GLY N N 70 110.325 110.325 106.069 4.256 19755 9263 1 19 . 1 1 70 70 GLY C C 70 169.572 169.572 171.445 -1.873 19755 9264 1 19 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.552 -0.187 19755 9265 1 19 . 1 1 70 70 GLY H H 70 6.977 6.977 7.185 -0.208 19755 9266 1 19 . 1 1 71 71 LEU N N 71 116.716 116.716 119.118 -2.402 19755 9267 1 19 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.320 -0.304 19755 9268 1 19 . 1 1 71 71 LEU C C 71 174.299 174.299 175.064 -0.765 19755 9269 1 19 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.164 -1.107 19755 9270 1 19 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.775 -0.883 19755 9271 1 19 . 1 1 71 71 LEU H H 71 8.032 8.032 8.515 -0.483 19755 9272 1 19 . 1 1 72 72 GLU N N 72 120.507 120.507 121.532 -1.025 19755 9273 1 19 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.118 -0.152 19755 9274 1 19 . 1 1 72 72 GLU C C 72 174.588 174.588 175.363 -0.775 19755 9275 1 19 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.427 -0.393 19755 9276 1 19 . 1 1 72 72 GLU CB C 72 33.392 33.392 32.175 1.217 19755 9277 1 19 . 1 1 72 72 GLU H H 72 8.739 8.739 8.717 0.022 19755 9278 1 19 . 1 1 73 73 ILE N N 73 127.226 127.226 124.396 2.830 19755 9279 1 19 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.517 0.009 19755 9280 1 19 . 1 1 73 73 ILE C C 73 173.786 173.786 174.439 -0.653 19755 9281 1 19 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.409 1.019 19755 9282 1 19 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.557 -0.452 19755 9283 1 19 . 1 1 73 73 ILE H H 73 8.755 8.755 8.635 0.120 19755 9284 1 19 . 1 1 74 74 ILE N N 74 126.107 126.107 127.246 -1.139 19755 9285 1 19 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.618 0.048 19755 9286 1 19 . 1 1 74 74 ILE C C 74 175.304 175.304 174.772 0.532 19755 9287 1 19 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.448 1.360 19755 9288 1 19 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.197 0.235 19755 9289 1 19 . 1 1 74 74 ILE H H 74 8.691 8.691 8.942 -0.251 19755 9290 1 19 . 1 1 75 75 VAL N N 75 128.967 128.967 120.793 8.174 19755 9291 1 19 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.273 -0.668 19755 9292 1 19 . 1 1 75 75 VAL C C 75 174.187 174.187 174.514 -0.327 19755 9293 1 19 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.733 1.687 19755 9294 1 19 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.843 -2.198 19755 9295 1 19 . 1 1 75 75 VAL H H 75 9.178 9.178 9.230 -0.052 19755 9296 1 19 . 1 1 76 76 THR HA H 76 5.743 5.743 4.866 0.877 19755 9297 1 19 . 1 1 76 76 THR CA C 76 59.957 59.957 59.804 0.153 19755 9298 1 19 . 1 1 76 76 THR CB C 76 71.833 71.833 71.342 0.491 19755 9299 1 19 . 1 1 77 77 LYS N N 77 124.204 124.204 122.782 1.422 19755 9300 1 19 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.871 -0.283 19755 9301 1 19 . 1 1 77 77 LYS CA C 77 55.751 55.751 55.770 -0.019 19755 9302 1 19 . 1 1 77 77 LYS CB C 77 33.947 33.947 36.074 -2.127 19755 9303 1 19 . 1 1 77 77 LYS H H 77 8.688 8.688 8.593 0.095 19755 9304 1 19 . 1 1 78 78 ALA N N 78 125.102 125.102 122.308 2.794 19755 9305 1 19 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.515 -0.539 19755 9306 1 19 . 1 1 78 78 ALA C C 78 176.776 176.776 177.582 -0.806 19755 9307 1 19 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.234 0.197 19755 9308 1 19 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.456 0.086 19755 9309 1 19 . 1 1 78 78 ALA H H 78 8.137 8.137 8.752 -0.615 19755 9310 1 19 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.285 -0.200 19755 9311 1 19 . 1 1 79 79 GLN CA C 79 55.540 55.540 55.944 -0.404 19755 9312 1 19 . 1 1 79 79 GLN CB C 79 29.617 29.617 28.398 1.219 19755 9313 1 19 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.124 0.171 19755 9314 1 19 . 1 1 80 80 LEU CA C 80 55.034 55.034 57.080 -2.046 19755 9315 1 19 . 1 1 80 80 LEU CB C 80 42.320 42.320 41.747 0.573 19755 9316 1 19 . 1 1 81 81 SER N N 81 116.580 116.580 114.204 2.376 19755 9317 1 19 . 1 1 81 81 SER HA H 81 4.291 4.291 4.345 -0.054 19755 9318 1 19 . 1 1 81 81 SER C C 81 174.770 174.770 175.320 -0.550 19755 9319 1 19 . 1 1 81 81 SER CA C 81 58.674 58.674 59.511 -0.837 19755 9320 1 19 . 1 1 81 81 SER CB C 81 63.931 63.931 62.592 1.339 19755 9321 1 19 . 1 1 81 81 SER H H 81 8.214 8.214 8.287 -0.073 19755 9322 1 19 . 1 1 82 82 LYS N N 82 122.968 122.968 121.823 1.145 19755 9323 1 19 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.088 0.195 19755 9324 1 19 . 1 1 82 82 LYS C C 82 176.222 176.222 176.703 -0.481 19755 9325 1 19 . 1 1 82 82 LYS CA C 82 56.542 56.542 57.843 -1.302 19755 9326 1 19 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.894 0.047 19755 9327 1 19 . 1 1 82 82 LYS H H 82 8.255 8.255 7.677 0.578 19755 9328 1 19 . 1 1 83 83 ASP N N 83 120.305 120.305 119.114 1.191 19755 9329 1 19 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.821 -0.275 19755 9330 1 19 . 1 1 83 83 ASP C C 83 176.527 176.527 174.398 2.129 19755 9331 1 19 . 1 1 83 83 ASP CA C 83 54.864 54.864 53.838 1.026 19755 9332 1 19 . 1 1 83 83 ASP CB C 83 41.156 41.156 42.249 -1.093 19755 9333 1 19 . 1 1 83 83 ASP H H 83 8.158 8.158 8.010 0.148 19755 9334 1 19 . 1 1 84 84 LEU N N 84 121.499 121.499 126.582 -5.083 19755 9335 1 19 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.501 -0.318 19755 9336 1 19 . 1 1 84 84 LEU C C 84 177.585 177.585 176.511 1.074 19755 9337 1 19 . 1 1 84 84 LEU CA C 84 56.042 56.042 55.453 0.589 19755 9338 1 19 . 1 1 84 84 LEU CB C 84 42.379 42.379 44.967 -2.588 19755 9339 1 19 . 1 1 84 84 LEU H H 84 7.955 7.955 8.041 -0.086 19755 9340 1 19 . 1 1 85 85 ASP N N 85 119.668 119.668 121.194 -1.526 19755 9341 1 19 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.310 0.190 19755 9342 1 19 . 1 1 85 85 ASP C C 85 176.445 176.445 175.553 0.892 19755 9343 1 19 . 1 1 85 85 ASP CA C 85 55.143 55.143 55.946 -0.803 19755 9344 1 19 . 1 1 85 85 ASP CB C 85 41.116 41.116 40.592 0.524 19755 9345 1 19 . 1 1 85 85 ASP H H 85 8.207 8.207 8.836 -0.629 19755 9346 1 19 . 1 1 86 86 LYS N N 86 119.760 119.760 120.395 -0.635 19755 9347 1 19 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.230 0.023 19755 9348 1 19 . 1 1 86 86 LYS C C 86 176.336 176.336 177.116 -0.780 19755 9349 1 19 . 1 1 86 86 LYS CA C 86 56.519 56.519 55.958 0.561 19755 9350 1 19 . 1 1 86 86 LYS CB C 86 33.072 33.072 32.952 0.120 19755 9351 1 19 . 1 1 86 86 LYS H H 86 7.843 7.843 7.918 -0.075 19755 9352 1 19 . 1 1 87 87 LEU N N 87 122.086 122.086 122.272 -0.186 19755 9353 1 19 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.327 -0.018 19755 9354 1 19 . 1 1 87 87 LEU C C 87 176.952 176.952 177.294 -0.342 19755 9355 1 19 . 1 1 87 87 LEU CA C 87 55.369 55.369 55.128 0.241 19755 9356 1 19 . 1 1 87 87 LEU CB C 87 42.407 42.407 41.836 0.571 19755 9357 1 19 . 1 1 87 87 LEU H H 87 8.008 8.008 8.282 -0.274 19755 9358 1 19 . 1 1 88 88 VAL N N 88 122.409 122.409 119.128 3.281 19755 9359 1 19 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.646 -0.272 19755 9360 1 19 . 1 1 88 88 VAL C C 88 174.225 174.225 174.181 0.044 19755 9361 1 19 . 1 1 88 88 VAL CA C 88 59.992 59.992 58.846 1.146 19755 9362 1 19 . 1 1 88 88 VAL CB C 88 32.946 32.946 30.560 2.386 19755 9363 1 19 . 1 1 88 88 VAL H H 88 7.919 7.919 8.211 -0.292 19755 9364 1 19 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.513 -0.143 19755 9365 1 19 . 1 1 89 89 PRO C C 89 176.035 176.035 176.213 -0.178 19755 9366 1 19 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.152 0.440 19755 9367 1 19 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.132 0.086 19755 9368 1 20 . 1 1 2 2 GLU N N 2 123.952 123.952 125.957 -2.005 19755 9369 1 20 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.781 -0.100 19755 9370 1 20 . 1 1 2 2 GLU C C 2 174.704 174.704 174.690 0.014 19755 9371 1 20 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.725 0.141 19755 9372 1 20 . 1 1 2 2 GLU CB C 2 32.406 32.406 33.623 -1.217 19755 9373 1 20 . 1 1 2 2 GLU H H 2 8.571 8.571 8.962 -0.391 19755 9374 1 20 . 1 1 3 3 ILE N N 3 121.558 121.558 123.558 -2.000 19755 9375 1 20 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.818 -0.106 19755 9376 1 20 . 1 1 3 3 ILE C C 3 174.736 174.736 175.562 -0.826 19755 9377 1 20 . 1 1 3 3 ILE CA C 3 60.277 60.277 59.053 1.224 19755 9378 1 20 . 1 1 3 3 ILE CB C 3 40.861 40.861 40.903 -0.042 19755 9379 1 20 . 1 1 3 3 ILE H H 3 8.565 8.565 8.578 -0.013 19755 9380 1 20 . 1 1 4 4 GLU N N 4 126.319 126.319 125.745 0.574 19755 9381 1 20 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.655 -0.094 19755 9382 1 20 . 1 1 4 4 GLU C C 4 174.708 174.708 174.574 0.134 19755 9383 1 20 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.635 0.593 19755 9384 1 20 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.688 -0.679 19755 9385 1 20 . 1 1 4 4 GLU H H 4 9.153 9.153 9.137 0.016 19755 9386 1 20 . 1 1 5 5 ARG N N 5 127.727 127.727 125.306 2.421 19755 9387 1 20 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.661 -0.101 19755 9388 1 20 . 1 1 5 5 ARG C C 5 175.807 175.807 175.932 -0.125 19755 9389 1 20 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.482 0.641 19755 9390 1 20 . 1 1 5 5 ARG CB C 5 29.653 29.653 30.294 -0.641 19755 9391 1 20 . 1 1 5 5 ARG H H 5 9.002 9.002 8.777 0.225 19755 9392 1 20 . 1 1 6 6 ILE N N 6 129.149 129.149 126.364 2.785 19755 9393 1 20 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.926 -0.022 19755 9394 1 20 . 1 1 6 6 ILE C C 6 176.468 176.468 176.516 -0.048 19755 9395 1 20 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.556 0.415 19755 9396 1 20 . 1 1 6 6 ILE CB C 6 38.162 38.162 38.168 -0.006 19755 9397 1 20 . 1 1 6 6 ILE H H 6 8.030 8.030 8.401 -0.371 19755 9398 1 20 . 1 1 7 7 ASN N N 7 112.808 112.808 115.764 -2.956 19755 9399 1 20 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.839 -0.280 19755 9400 1 20 . 1 1 7 7 ASN C C 7 175.254 175.254 174.091 1.163 19755 9401 1 20 . 1 1 7 7 ASN CA C 7 52.853 52.853 52.038 0.815 19755 9402 1 20 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.127 -0.852 19755 9403 1 20 . 1 1 7 7 ASN H H 7 8.147 8.147 7.709 0.438 19755 9404 1 20 . 1 1 8 8 GLU N N 8 121.087 121.087 117.904 3.183 19755 9405 1 20 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.017 0.033 19755 9406 1 20 . 1 1 8 8 GLU C C 8 176.486 176.486 177.552 -1.066 19755 9407 1 20 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.341 1.461 19755 9408 1 20 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.295 0.156 19755 9409 1 20 . 1 1 8 8 GLU H H 8 8.770 8.770 8.761 0.009 19755 9410 1 20 . 1 1 9 9 HIS N N 9 113.719 113.719 116.344 -2.625 19755 9411 1 20 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.743 0.222 19755 9412 1 20 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.282 -0.477 19755 9413 1 20 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.468 0.516 19755 9414 1 20 . 1 1 9 9 HIS H H 9 7.921 7.921 8.338 -0.417 19755 9415 1 20 . 1 1 10 10 THR N N 10 116.218 116.218 119.251 -3.033 19755 9416 1 20 . 1 1 10 10 THR HA H 10 5.736 5.736 4.833 0.903 19755 9417 1 20 . 1 1 10 10 THR C C 10 173.396 173.396 173.897 -0.501 19755 9418 1 20 . 1 1 10 10 THR CA C 10 62.820 62.820 64.241 -1.421 19755 9419 1 20 . 1 1 10 10 THR CB C 10 71.465 71.465 69.831 1.634 19755 9420 1 20 . 1 1 10 10 THR H H 10 7.349 7.349 8.870 -1.521 19755 9421 1 20 . 1 1 11 11 VAL N N 11 124.880 124.880 120.186 4.694 19755 9422 1 20 . 1 1 11 11 VAL HA H 11 4.857 4.857 4.934 -0.077 19755 9423 1 20 . 1 1 11 11 VAL C C 11 172.156 172.156 173.642 -1.486 19755 9424 1 20 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.384 0.492 19755 9425 1 20 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.431 0.555 19755 9426 1 20 . 1 1 11 11 VAL H H 11 9.043 9.043 8.632 0.411 19755 9427 1 20 . 1 1 12 12 LYS N N 12 124.164 124.164 119.318 4.846 19755 9428 1 20 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.406 0.178 19755 9429 1 20 . 1 1 12 12 LYS C C 12 173.380 173.380 174.989 -1.609 19755 9430 1 20 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.704 -0.499 19755 9431 1 20 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.785 0.672 19755 9432 1 20 . 1 1 12 12 LYS H H 12 8.884 8.884 8.353 0.531 19755 9433 1 20 . 1 1 13 13 PHE N N 13 124.228 124.228 114.753 9.475 19755 9434 1 20 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.476 -0.148 19755 9435 1 20 . 1 1 13 13 PHE C C 13 172.237 172.237 172.806 -0.569 19755 9436 1 20 . 1 1 13 13 PHE CA C 13 55.986 55.986 55.957 0.029 19755 9437 1 20 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.240 -0.324 19755 9438 1 20 . 1 1 13 13 PHE H H 13 8.989 8.989 8.928 0.061 19755 9439 1 20 . 1 1 14 14 TYR N N 14 121.263 121.263 121.229 0.034 19755 9440 1 20 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.485 -0.098 19755 9441 1 20 . 1 1 14 14 TYR C C 14 174.713 174.713 173.456 1.257 19755 9442 1 20 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.811 0.142 19755 9443 1 20 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.479 -0.971 19755 9444 1 20 . 1 1 14 14 TYR H H 14 8.670 8.670 9.250 -0.580 19755 9445 1 20 . 1 1 15 15 MET N N 15 124.869 124.869 127.803 -2.934 19755 9446 1 20 . 1 1 15 15 MET HA H 15 4.417 4.417 4.730 -0.313 19755 9447 1 20 . 1 1 15 15 MET C C 15 173.614 173.614 173.823 -0.209 19755 9448 1 20 . 1 1 15 15 MET CA C 15 54.305 54.305 54.148 0.157 19755 9449 1 20 . 1 1 15 15 MET CB C 15 37.439 37.439 36.171 1.268 19755 9450 1 20 . 1 1 15 15 MET H H 15 7.927 7.927 8.709 -0.782 19755 9451 1 20 . 1 1 16 16 SER N N 16 120.626 120.626 122.549 -1.923 19755 9452 1 20 . 1 1 16 16 SER HA H 16 4.396 4.396 4.399 -0.003 19755 9453 1 20 . 1 1 16 16 SER C C 16 175.508 175.508 176.020 -0.512 19755 9454 1 20 . 1 1 16 16 SER CA C 16 57.637 57.637 58.243 -0.606 19755 9455 1 20 . 1 1 16 16 SER CB C 16 65.033 65.033 64.105 0.928 19755 9456 1 20 . 1 1 16 16 SER H H 16 9.061 9.061 9.216 -0.155 19755 9457 1 20 . 1 1 17 17 TYR N N 17 119.917 119.917 123.881 -3.964 19755 9458 1 20 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.282 0.078 19755 9459 1 20 . 1 1 17 17 TYR C C 17 178.684 178.684 178.081 0.603 19755 9460 1 20 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.741 1.215 19755 9461 1 20 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.778 -0.789 19755 9462 1 20 . 1 1 17 17 TYR H H 17 8.411 8.411 8.645 -0.234 19755 9463 1 20 . 1 1 18 18 GLY N N 18 107.011 107.011 104.452 2.559 19755 9464 1 20 . 1 1 18 18 GLY C C 18 175.454 175.454 175.672 -0.218 19755 9465 1 20 . 1 1 18 18 GLY CA C 18 47.446 47.446 45.771 1.675 19755 9466 1 20 . 1 1 18 18 GLY H H 18 8.534 8.534 8.894 -0.360 19755 9467 1 20 . 1 1 19 19 ASP N N 19 122.947 122.947 122.807 0.140 19755 9468 1 20 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.473 -0.081 19755 9469 1 20 . 1 1 19 19 ASP C C 19 179.020 179.020 178.498 0.522 19755 9470 1 20 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.469 -0.026 19755 9471 1 20 . 1 1 19 19 ASP CB C 19 40.914 40.914 40.788 0.126 19755 9472 1 20 . 1 1 19 19 ASP H H 19 7.788 7.788 7.967 -0.179 19755 9473 1 20 . 1 1 20 20 ILE N N 20 119.114 119.114 120.538 -1.424 19755 9474 1 20 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.773 -0.245 19755 9475 1 20 . 1 1 20 20 ILE C C 20 177.939 177.939 177.573 0.366 19755 9476 1 20 . 1 1 20 20 ILE CA C 20 66.310 66.310 64.891 1.419 19755 9477 1 20 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.162 0.724 19755 9478 1 20 . 1 1 20 20 ILE H H 20 7.762 7.762 7.590 0.172 19755 9479 1 20 . 1 1 21 21 GLU N N 21 119.999 119.999 120.204 -0.205 19755 9480 1 20 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.211 0.371 19755 9481 1 20 . 1 1 21 21 GLU C C 21 181.888 181.888 178.930 2.958 19755 9482 1 20 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.090 0.117 19755 9483 1 20 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.461 -0.047 19755 9484 1 20 . 1 1 21 21 GLU H H 21 8.113 8.113 8.150 -0.037 19755 9485 1 20 . 1 1 22 22 ASP N N 22 122.667 122.667 119.640 3.027 19755 9486 1 20 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.480 -0.006 19755 9487 1 20 . 1 1 22 22 ASP C C 22 178.184 178.184 178.201 -0.017 19755 9488 1 20 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.433 0.902 19755 9489 1 20 . 1 1 22 22 ASP CB C 22 40.867 40.867 41.000 -0.133 19755 9490 1 20 . 1 1 22 22 ASP H H 22 8.699 8.699 7.963 0.736 19755 9491 1 20 . 1 1 23 23 ARG N N 23 116.862 116.862 117.170 -0.308 19755 9492 1 20 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.345 -0.001 19755 9493 1 20 . 1 1 23 23 ARG C C 23 176.101 176.101 176.821 -0.720 19755 9494 1 20 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.617 0.035 19755 9495 1 20 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.657 0.140 19755 9496 1 20 . 1 1 23 23 ARG H H 23 7.380 7.380 7.676 -0.296 19755 9497 1 20 . 1 1 24 24 GLY N N 24 106.318 106.318 106.215 0.103 19755 9498 1 20 . 1 1 24 24 GLY C C 24 174.117 174.117 174.870 -0.753 19755 9499 1 20 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.289 0.204 19755 9500 1 20 . 1 1 24 24 GLY H H 24 8.004 8.004 7.837 0.167 19755 9501 1 20 . 1 1 25 25 PHE N N 25 118.274 118.274 119.849 -1.575 19755 9502 1 20 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.644 -0.022 19755 9503 1 20 . 1 1 25 25 PHE C C 25 174.127 174.127 174.493 -0.366 19755 9504 1 20 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.615 -0.685 19755 9505 1 20 . 1 1 25 25 PHE CB C 25 41.871 41.871 39.746 2.125 19755 9506 1 20 . 1 1 25 25 PHE H H 25 7.550 7.550 8.146 -0.596 19755 9507 1 20 . 1 1 26 26 ASP N N 26 121.320 121.320 117.774 3.546 19755 9508 1 20 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.959 -0.065 19755 9509 1 20 . 1 1 26 26 ASP C C 26 177.370 177.370 177.138 0.232 19755 9510 1 20 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.703 0.404 19755 9511 1 20 . 1 1 26 26 ASP CB C 26 44.066 44.066 44.031 0.035 19755 9512 1 20 . 1 1 26 26 ASP H H 26 8.891 8.891 8.450 0.441 19755 9513 1 20 . 1 1 27 27 ARG N N 27 124.100 124.100 123.190 0.910 19755 9514 1 20 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.990 -0.148 19755 9515 1 20 . 1 1 27 27 ARG C C 27 176.201 176.201 177.294 -1.093 19755 9516 1 20 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.118 0.739 19755 9517 1 20 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.288 -0.613 19755 9518 1 20 . 1 1 27 27 ARG H H 27 9.033 9.033 8.730 0.303 19755 9519 1 20 . 1 1 28 28 GLU N N 28 118.451 118.451 118.683 -0.232 19755 9520 1 20 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.420 -0.383 19755 9521 1 20 . 1 1 28 28 GLU C C 28 178.889 178.889 179.213 -0.324 19755 9522 1 20 . 1 1 28 28 GLU CA C 28 59.255 59.255 58.952 0.303 19755 9523 1 20 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.367 0.083 19755 9524 1 20 . 1 1 28 28 GLU H H 28 8.362 8.362 8.377 -0.015 19755 9525 1 20 . 1 1 29 29 GLU N N 29 118.302 118.302 120.648 -2.346 19755 9526 1 20 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.202 -0.117 19755 9527 1 20 . 1 1 29 29 GLU C C 29 178.137 178.137 178.785 -0.648 19755 9528 1 20 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.089 -0.129 19755 9529 1 20 . 1 1 29 29 GLU CB C 29 30.452 30.452 28.991 1.461 19755 9530 1 20 . 1 1 29 29 GLU H H 29 7.821 7.821 8.382 -0.561 19755 9531 1 20 . 1 1 30 30 ILE N N 30 115.456 115.456 118.483 -3.027 19755 9532 1 20 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.636 -0.009 19755 9533 1 20 . 1 1 30 30 ILE C C 30 176.229 176.229 177.728 -1.499 19755 9534 1 20 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.043 -2.979 19755 9535 1 20 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.783 -0.843 19755 9536 1 20 . 1 1 30 30 ILE H H 30 7.363 7.363 8.109 -0.746 19755 9537 1 20 . 1 1 31 31 TRP N N 31 116.714 116.714 115.359 1.355 19755 9538 1 20 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.292 -0.142 19755 9539 1 20 . 1 1 31 31 TRP C C 31 178.092 178.092 176.489 1.603 19755 9540 1 20 . 1 1 31 31 TRP CA C 31 59.618 59.618 57.405 2.213 19755 9541 1 20 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.186 0.442 19755 9542 1 20 . 1 1 31 31 TRP H H 31 7.410 7.410 7.049 0.361 19755 9543 1 20 . 1 1 32 32 TYR N N 32 112.769 112.769 114.780 -2.011 19755 9544 1 20 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.714 0.052 19755 9545 1 20 . 1 1 32 32 TYR C C 32 175.767 175.767 175.151 0.616 19755 9546 1 20 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.495 1.137 19755 9547 1 20 . 1 1 32 32 TYR CB C 32 40.222 40.222 39.147 1.075 19755 9548 1 20 . 1 1 32 32 TYR H H 32 7.577 7.577 7.280 0.297 19755 9549 1 20 . 1 1 33 33 ASN N N 33 120.521 120.521 119.872 0.649 19755 9550 1 20 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.073 -0.025 19755 9551 1 20 . 1 1 33 33 ASN C C 33 174.851 174.851 174.692 0.159 19755 9552 1 20 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.818 -0.498 19755 9553 1 20 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.809 -0.596 19755 9554 1 20 . 1 1 33 33 ASN H H 33 8.364 8.364 7.996 0.368 19755 9555 1 20 . 1 1 34 34 ARG N N 34 126.163 126.163 124.825 1.338 19755 9556 1 20 . 1 1 34 34 ARG HA H 34 4.185 4.185 3.979 0.206 19755 9557 1 20 . 1 1 34 34 ARG C C 34 178.509 178.509 177.203 1.306 19755 9558 1 20 . 1 1 34 34 ARG CA C 34 58.504 58.504 59.305 -0.801 19755 9559 1 20 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.542 -1.049 19755 9560 1 20 . 1 1 34 34 ARG H H 34 8.830 8.830 9.011 -0.181 19755 9561 1 20 . 1 1 35 35 GLU N N 35 118.994 118.994 115.340 3.654 19755 9562 1 20 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.363 -0.203 19755 9563 1 20 . 1 1 35 35 GLU C C 35 179.839 179.839 178.009 1.830 19755 9564 1 20 . 1 1 35 35 GLU CA C 35 60.191 60.191 57.891 2.300 19755 9565 1 20 . 1 1 35 35 GLU CB C 35 29.433 29.433 29.119 0.314 19755 9566 1 20 . 1 1 35 35 GLU H H 35 8.380 8.380 8.564 -0.184 19755 9567 1 20 . 1 1 36 36 ARG N N 36 119.197 119.197 120.308 -1.111 19755 9568 1 20 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.527 -0.127 19755 9569 1 20 . 1 1 36 36 ARG C C 36 178.217 178.217 178.724 -0.507 19755 9570 1 20 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.927 0.467 19755 9571 1 20 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.918 -0.383 19755 9572 1 20 . 1 1 36 36 ARG H H 36 7.686 7.686 7.709 -0.023 19755 9573 1 20 . 1 1 37 37 SER N N 37 114.607 114.607 115.527 -0.920 19755 9574 1 20 . 1 1 37 37 SER HA H 37 3.899 3.899 4.208 -0.309 19755 9575 1 20 . 1 1 37 37 SER C C 37 178.298 178.298 176.379 1.919 19755 9576 1 20 . 1 1 37 37 SER CA C 37 62.455 62.455 61.326 1.129 19755 9577 1 20 . 1 1 37 37 SER CB C 37 62.542 62.542 62.977 -0.436 19755 9578 1 20 . 1 1 37 37 SER H H 37 8.282 8.282 8.432 -0.150 19755 9579 1 20 . 1 1 38 38 GLU N N 38 121.063 121.063 122.620 -1.557 19755 9580 1 20 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.291 -0.535 19755 9581 1 20 . 1 1 38 38 GLU C C 38 177.182 177.182 178.809 -1.627 19755 9582 1 20 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.487 0.811 19755 9583 1 20 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.518 -0.244 19755 9584 1 20 . 1 1 38 38 GLU H H 38 7.849 7.849 8.684 -0.835 19755 9585 1 20 . 1 1 39 39 GLU N N 39 119.119 119.119 119.141 -0.022 19755 9586 1 20 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.228 0.001 19755 9587 1 20 . 1 1 39 39 GLU C C 39 179.781 179.781 178.999 0.782 19755 9588 1 20 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.853 1.319 19755 9589 1 20 . 1 1 39 39 GLU CB C 39 30.059 30.059 29.010 1.049 19755 9590 1 20 . 1 1 39 39 GLU H H 39 7.686 7.686 8.007 -0.321 19755 9591 1 20 . 1 1 40 40 LEU N N 40 120.164 120.164 120.367 -0.203 19755 9592 1 20 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.664 0.028 19755 9593 1 20 . 1 1 40 40 LEU C C 40 177.155 177.155 178.059 -0.904 19755 9594 1 20 . 1 1 40 40 LEU CA C 40 58.264 58.264 57.901 0.363 19755 9595 1 20 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.278 -0.829 19755 9596 1 20 . 1 1 40 40 LEU H H 40 7.739 7.739 7.649 0.090 19755 9597 1 20 . 1 1 41 41 PHE N N 41 118.207 118.207 116.734 1.473 19755 9598 1 20 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.115 -0.310 19755 9599 1 20 . 1 1 41 41 PHE C C 41 176.387 176.387 177.669 -1.282 19755 9600 1 20 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.943 -0.579 19755 9601 1 20 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.205 -0.136 19755 9602 1 20 . 1 1 41 41 PHE H H 41 7.825 7.825 7.263 0.561 19755 9603 1 20 . 1 1 42 42 TRP N N 42 117.448 117.448 118.497 -1.049 19755 9604 1 20 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.211 -0.087 19755 9605 1 20 . 1 1 42 42 TRP C C 42 179.071 179.071 178.539 0.532 19755 9606 1 20 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.122 -1.043 19755 9607 1 20 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.341 0.113 19755 9608 1 20 . 1 1 42 42 TRP H H 42 8.266 8.266 8.881 -0.615 19755 9609 1 20 . 1 1 43 43 GLU N N 43 120.573 120.573 119.880 0.693 19755 9610 1 20 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.017 0.142 19755 9611 1 20 . 1 1 43 43 GLU C C 43 179.556 179.556 178.694 0.862 19755 9612 1 20 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.575 0.606 19755 9613 1 20 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.553 -0.051 19755 9614 1 20 . 1 1 43 43 GLU H H 43 7.918 7.918 7.756 0.162 19755 9615 1 20 . 1 1 44 44 VAL N N 44 119.502 119.502 115.871 3.631 19755 9616 1 20 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.548 -0.103 19755 9617 1 20 . 1 1 44 44 VAL C C 44 178.356 178.356 177.674 0.682 19755 9618 1 20 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.398 0.992 19755 9619 1 20 . 1 1 44 44 VAL CB C 44 31.220 31.220 31.326 -0.106 19755 9620 1 20 . 1 1 44 44 VAL H H 44 7.947 7.947 7.342 0.605 19755 9621 1 20 . 1 1 45 45 MET N N 45 117.691 117.691 117.909 -0.218 19755 9622 1 20 . 1 1 45 45 MET HA H 45 4.118 4.118 4.214 -0.096 19755 9623 1 20 . 1 1 45 45 MET C C 45 179.207 179.207 179.209 -0.002 19755 9624 1 20 . 1 1 45 45 MET CA C 45 56.677 56.677 57.406 -0.729 19755 9625 1 20 . 1 1 45 45 MET CB C 45 31.094 31.094 31.388 -0.294 19755 9626 1 20 . 1 1 45 45 MET H H 45 7.998 7.998 8.195 -0.197 19755 9627 1 20 . 1 1 46 46 ASP N N 46 119.109 119.109 121.138 -2.029 19755 9628 1 20 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.425 0.117 19755 9629 1 20 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.417 -0.475 19755 9630 1 20 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.805 0.623 19755 9631 1 20 . 1 1 46 46 ASP H H 46 7.773 7.773 8.310 -0.537 19755 9632 1 20 . 1 1 47 47 GLU N N 47 118.018 118.018 119.709 -1.691 19755 9633 1 20 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.201 -0.033 19755 9634 1 20 . 1 1 47 47 GLU C C 47 177.957 177.957 177.097 0.860 19755 9635 1 20 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.174 -0.197 19755 9636 1 20 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.271 1.132 19755 9637 1 20 . 1 1 47 47 GLU H H 47 7.608 7.608 8.148 -0.540 19755 9638 1 20 . 1 1 48 48 VAL N N 48 115.277 115.277 116.319 -1.042 19755 9639 1 20 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.263 -0.158 19755 9640 1 20 . 1 1 48 48 VAL CA C 48 62.377 62.377 62.499 -0.122 19755 9641 1 20 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.824 1.042 19755 9642 1 20 . 1 1 48 48 VAL H H 48 7.508 7.508 7.661 -0.153 19755 9643 1 20 . 1 1 49 49 HIS N N 49 121.222 121.222 122.236 -1.014 19755 9644 1 20 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.209 0.402 19755 9645 1 20 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.712 -2.712 19755 9646 1 20 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.394 -0.865 19755 9647 1 20 . 1 1 49 49 HIS H H 49 8.099 8.099 7.904 0.195 19755 9648 1 20 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.260 -0.038 19755 9649 1 20 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.529 -0.900 19755 9650 1 20 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.377 1.046 19755 9651 1 20 . 1 1 51 51 GLU N N 51 119.589 119.589 115.817 3.772 19755 9652 1 20 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.367 -0.133 19755 9653 1 20 . 1 1 51 51 GLU C C 51 176.279 176.279 176.636 -0.357 19755 9654 1 20 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.056 -0.509 19755 9655 1 20 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.260 0.321 19755 9656 1 20 . 1 1 51 51 GLU H H 51 8.121 8.121 8.105 0.016 19755 9657 1 20 . 1 1 52 52 GLU N N 52 122.410 122.410 117.598 4.812 19755 9658 1 20 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.571 -0.261 19755 9659 1 20 . 1 1 52 52 GLU C C 52 176.127 176.127 177.648 -1.521 19755 9660 1 20 . 1 1 52 52 GLU CA C 52 56.508 56.508 56.699 -0.191 19755 9661 1 20 . 1 1 52 52 GLU CB C 52 30.565 30.565 31.326 -0.761 19755 9662 1 20 . 1 1 52 52 GLU H H 52 8.412 8.412 7.979 0.433 19755 9663 1 20 . 1 1 53 53 GLU N N 53 121.407 121.407 120.490 0.917 19755 9664 1 20 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.931 0.363 19755 9665 1 20 . 1 1 53 53 GLU C C 53 176.242 176.242 177.123 -0.881 19755 9666 1 20 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.867 -2.260 19755 9667 1 20 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.858 1.581 19755 9668 1 20 . 1 1 53 53 GLU H H 53 8.361 8.361 8.117 0.244 19755 9669 1 20 . 1 1 54 54 PHE N N 54 121.128 121.128 117.398 3.730 19755 9670 1 20 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.691 -0.097 19755 9671 1 20 . 1 1 54 54 PHE C C 54 176.021 176.021 174.081 1.940 19755 9672 1 20 . 1 1 54 54 PHE CA C 54 57.554 57.554 57.108 0.445 19755 9673 1 20 . 1 1 54 54 PHE CB C 54 40.192 40.192 40.216 -0.024 19755 9674 1 20 . 1 1 54 54 PHE H H 54 8.147 8.147 7.616 0.531 19755 9675 1 20 . 1 1 55 55 ALA N N 55 126.124 126.124 121.667 4.457 19755 9676 1 20 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.564 -0.143 19755 9677 1 20 . 1 1 55 55 ALA C C 55 177.391 177.391 175.454 1.937 19755 9678 1 20 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.684 -0.311 19755 9679 1 20 . 1 1 55 55 ALA CB C 55 19.512 19.512 20.270 -0.758 19755 9680 1 20 . 1 1 55 55 ALA H H 55 8.124 8.124 8.323 -0.199 19755 9681 1 20 . 1 1 56 56 VAL N N 56 119.019 119.019 114.913 4.106 19755 9682 1 20 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.337 -0.204 19755 9683 1 20 . 1 1 56 56 VAL C C 56 176.128 176.128 174.765 1.363 19755 9684 1 20 . 1 1 56 56 VAL CA C 56 62.306 62.306 61.234 1.072 19755 9685 1 20 . 1 1 56 56 VAL CB C 56 33.274 33.274 30.707 2.567 19755 9686 1 20 . 1 1 56 56 VAL H H 56 7.958 7.958 7.722 0.236 19755 9687 1 20 . 1 1 57 57 GLU N N 57 124.588 124.588 119.451 5.137 19755 9688 1 20 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.564 -0.069 19755 9689 1 20 . 1 1 57 57 GLU C C 57 176.082 176.082 176.092 -0.010 19755 9690 1 20 . 1 1 57 57 GLU CA C 57 56.056 56.056 55.347 0.709 19755 9691 1 20 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.541 1.762 19755 9692 1 20 . 1 1 57 57 GLU H H 57 8.413 8.413 8.324 0.089 19755 9693 1 20 . 1 1 58 58 GLY N N 58 110.794 110.794 109.579 1.215 19755 9694 1 20 . 1 1 58 58 GLY C C 58 170.660 170.660 172.104 -1.444 19755 9695 1 20 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.532 0.325 19755 9696 1 20 . 1 1 58 58 GLY H H 58 8.040 8.040 7.765 0.275 19755 9697 1 20 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.404 0.027 19755 9698 1 20 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.606 0.482 19755 9699 1 20 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.654 -0.180 19755 9700 1 20 . 1 1 60 60 LEU N N 60 120.609 120.609 119.517 1.092 19755 9701 1 20 . 1 1 60 60 LEU C C 60 176.392 176.392 175.192 1.200 19755 9702 1 20 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.131 -0.207 19755 9703 1 20 . 1 1 60 60 LEU CB C 60 45.038 45.038 44.992 0.046 19755 9704 1 20 . 1 1 60 60 LEU H H 60 8.367 8.367 7.907 0.460 19755 9705 1 20 . 1 1 61 61 TRP N N 61 124.050 124.050 122.923 1.127 19755 9706 1 20 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.827 0.134 19755 9707 1 20 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.869 -0.736 19755 9708 1 20 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.018 -2.152 19755 9709 1 20 . 1 1 61 61 TRP H H 61 9.101 9.101 8.315 0.786 19755 9710 1 20 . 1 1 62 62 ILE N N 62 121.315 121.315 121.359 -0.044 19755 9711 1 20 . 1 1 62 62 ILE C C 62 174.576 174.576 174.672 -0.096 19755 9712 1 20 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.440 1.116 19755 9713 1 20 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.416 -0.777 19755 9714 1 20 . 1 1 62 62 ILE H H 62 7.863 7.863 8.502 -0.639 19755 9715 1 20 . 1 1 63 63 GLN N N 63 127.300 127.300 124.973 2.327 19755 9716 1 20 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.829 -0.295 19755 9717 1 20 . 1 1 63 63 GLN C C 63 173.768 173.768 173.541 0.227 19755 9718 1 20 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.763 -0.354 19755 9719 1 20 . 1 1 63 63 GLN CB C 63 30.309 30.309 33.230 -2.921 19755 9720 1 20 . 1 1 63 63 GLN H H 63 8.881 8.881 9.168 -0.287 19755 9721 1 20 . 1 1 64 64 VAL N N 64 123.414 123.414 121.450 1.964 19755 9722 1 20 . 1 1 64 64 VAL HA H 64 4.677 4.677 5.029 -0.351 19755 9723 1 20 . 1 1 64 64 VAL C C 64 174.737 174.737 173.750 0.987 19755 9724 1 20 . 1 1 64 64 VAL CA C 64 60.965 60.965 59.944 1.022 19755 9725 1 20 . 1 1 64 64 VAL CB C 64 34.420 34.420 35.282 -0.862 19755 9726 1 20 . 1 1 64 64 VAL H H 64 8.330 8.330 8.350 -0.020 19755 9727 1 20 . 1 1 65 65 GLN N N 65 125.152 125.152 124.181 0.971 19755 9728 1 20 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.647 0.104 19755 9729 1 20 . 1 1 65 65 GLN C C 65 174.043 174.043 173.501 0.542 19755 9730 1 20 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.471 0.950 19755 9731 1 20 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.464 -0.508 19755 9732 1 20 . 1 1 65 65 GLN H H 65 8.938 8.938 8.908 0.030 19755 9733 1 20 . 1 1 66 66 ALA N N 66 127.534 127.534 123.902 3.632 19755 9734 1 20 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.927 -0.291 19755 9735 1 20 . 1 1 66 66 ALA C C 66 176.740 176.740 176.262 0.478 19755 9736 1 20 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.189 1.612 19755 9737 1 20 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.308 -0.962 19755 9738 1 20 . 1 1 66 66 ALA H H 66 8.808 8.808 8.605 0.203 19755 9739 1 20 . 1 1 67 67 LEU N N 67 124.609 124.609 122.695 1.914 19755 9740 1 20 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.787 -0.002 19755 9741 1 20 . 1 1 67 67 LEU C C 67 177.190 177.190 177.591 -0.401 19755 9742 1 20 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.911 -0.326 19755 9743 1 20 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.680 -0.834 19755 9744 1 20 . 1 1 67 67 LEU H H 67 8.541 8.541 8.715 -0.174 19755 9745 1 20 . 1 1 68 68 ASP N N 68 120.713 120.713 119.608 1.105 19755 9746 1 20 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.466 -0.036 19755 9747 1 20 . 1 1 68 68 ASP C C 68 177.319 177.319 176.930 0.389 19755 9748 1 20 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.608 1.482 19755 9749 1 20 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.094 -0.179 19755 9750 1 20 . 1 1 68 68 ASP H H 68 8.539 8.539 8.628 -0.089 19755 9751 1 20 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.571 0.031 19755 9752 1 20 . 1 1 69 69 LYS C C 69 176.282 176.282 174.353 1.929 19755 9753 1 20 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.826 0.991 19755 9754 1 20 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.373 1.190 19755 9755 1 20 . 1 1 70 70 GLY N N 70 110.325 110.325 105.818 4.507 19755 9756 1 20 . 1 1 70 70 GLY C C 70 169.572 169.572 171.332 -1.760 19755 9757 1 20 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.389 -0.024 19755 9758 1 20 . 1 1 70 70 GLY H H 70 6.977 6.977 7.028 -0.051 19755 9759 1 20 . 1 1 71 71 LEU N N 71 116.716 116.716 118.726 -2.010 19755 9760 1 20 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.105 -0.089 19755 9761 1 20 . 1 1 71 71 LEU C C 71 174.299 174.299 175.176 -0.877 19755 9762 1 20 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.371 -1.314 19755 9763 1 20 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.819 -0.927 19755 9764 1 20 . 1 1 71 71 LEU H H 71 8.032 8.032 8.547 -0.515 19755 9765 1 20 . 1 1 72 72 GLU N N 72 120.507 120.507 121.761 -1.254 19755 9766 1 20 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.027 -0.061 19755 9767 1 20 . 1 1 72 72 GLU C C 72 174.588 174.588 175.498 -0.910 19755 9768 1 20 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.990 -0.956 19755 9769 1 20 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.658 1.734 19755 9770 1 20 . 1 1 72 72 GLU H H 72 8.739 8.739 8.691 0.048 19755 9771 1 20 . 1 1 73 73 ILE N N 73 127.226 127.226 124.234 2.992 19755 9772 1 20 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.581 -0.055 19755 9773 1 20 . 1 1 73 73 ILE C C 73 173.786 173.786 174.463 -0.677 19755 9774 1 20 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.439 0.989 19755 9775 1 20 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.513 -0.408 19755 9776 1 20 . 1 1 73 73 ILE H H 73 8.755 8.755 8.796 -0.041 19755 9777 1 20 . 1 1 74 74 ILE N N 74 126.107 126.107 127.612 -1.505 19755 9778 1 20 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.671 -0.005 19755 9779 1 20 . 1 1 74 74 ILE C C 74 175.304 175.304 174.717 0.587 19755 9780 1 20 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.243 1.565 19755 9781 1 20 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.697 -0.265 19755 9782 1 20 . 1 1 74 74 ILE H H 74 8.691 8.691 9.011 -0.320 19755 9783 1 20 . 1 1 75 75 VAL N N 75 128.967 128.967 121.868 7.099 19755 9784 1 20 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.303 -0.698 19755 9785 1 20 . 1 1 75 75 VAL C C 75 174.187 174.187 174.594 -0.407 19755 9786 1 20 . 1 1 75 75 VAL CA C 75 61.420 61.420 59.981 1.439 19755 9787 1 20 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.150 -1.505 19755 9788 1 20 . 1 1 75 75 VAL H H 75 9.178 9.178 9.109 0.069 19755 9789 1 20 . 1 1 76 76 THR HA H 76 5.743 5.743 4.985 0.758 19755 9790 1 20 . 1 1 76 76 THR CA C 76 59.957 59.957 59.645 0.312 19755 9791 1 20 . 1 1 76 76 THR CB C 76 71.833 71.833 72.276 -0.443 19755 9792 1 20 . 1 1 77 77 LYS N N 77 124.204 124.204 119.561 4.643 19755 9793 1 20 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.956 -0.368 19755 9794 1 20 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.643 1.108 19755 9795 1 20 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.870 -1.923 19755 9796 1 20 . 1 1 77 77 LYS H H 77 8.688 8.688 8.357 0.331 19755 9797 1 20 . 1 1 78 78 ALA N N 78 125.102 125.102 121.062 4.040 19755 9798 1 20 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.491 -0.515 19755 9799 1 20 . 1 1 78 78 ALA C C 78 176.776 176.776 175.584 1.192 19755 9800 1 20 . 1 1 78 78 ALA CA C 78 52.431 52.431 51.354 1.077 19755 9801 1 20 . 1 1 78 78 ALA CB C 78 19.542 19.542 21.271 -1.729 19755 9802 1 20 . 1 1 78 78 ALA H H 78 8.137 8.137 8.345 -0.208 19755 9803 1 20 . 1 1 79 79 GLN HA H 79 4.085 4.085 4.413 -0.328 19755 9804 1 20 . 1 1 79 79 GLN CA C 79 55.540 55.540 56.007 -0.467 19755 9805 1 20 . 1 1 79 79 GLN CB C 79 29.617 29.617 30.759 -1.142 19755 9806 1 20 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.833 -0.538 19755 9807 1 20 . 1 1 80 80 LEU CA C 80 55.034 55.034 54.305 0.729 19755 9808 1 20 . 1 1 80 80 LEU CB C 80 42.320 42.320 44.313 -1.993 19755 9809 1 20 . 1 1 81 81 SER N N 81 116.580 116.580 122.707 -6.127 19755 9810 1 20 . 1 1 81 81 SER HA H 81 4.291 4.291 4.418 -0.127 19755 9811 1 20 . 1 1 81 81 SER C C 81 174.770 174.770 175.401 -0.631 19755 9812 1 20 . 1 1 81 81 SER CA C 81 58.674 58.674 58.375 0.299 19755 9813 1 20 . 1 1 81 81 SER CB C 81 63.931 63.931 62.575 1.356 19755 9814 1 20 . 1 1 81 81 SER H H 81 8.214 8.214 8.774 -0.560 19755 9815 1 20 . 1 1 82 82 LYS N N 82 122.968 122.968 122.801 0.167 19755 9816 1 20 . 1 1 82 82 LYS HA H 82 4.283 4.283 3.980 0.303 19755 9817 1 20 . 1 1 82 82 LYS C C 82 176.222 176.222 177.312 -1.090 19755 9818 1 20 . 1 1 82 82 LYS CA C 82 56.542 56.542 59.002 -2.460 19755 9819 1 20 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.391 0.550 19755 9820 1 20 . 1 1 82 82 LYS H H 82 8.255 8.255 8.067 0.188 19755 9821 1 20 . 1 1 83 83 ASP N N 83 120.305 120.305 116.302 4.003 19755 9822 1 20 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.587 -0.041 19755 9823 1 20 . 1 1 83 83 ASP C C 83 176.527 176.527 175.801 0.726 19755 9824 1 20 . 1 1 83 83 ASP CA C 83 54.864 54.864 54.946 -0.082 19755 9825 1 20 . 1 1 83 83 ASP CB C 83 41.156 41.156 39.387 1.769 19755 9826 1 20 . 1 1 83 83 ASP H H 83 8.158 8.158 8.427 -0.269 19755 9827 1 20 . 1 1 84 84 LEU N N 84 121.499 121.499 118.200 3.299 19755 9828 1 20 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.405 -0.222 19755 9829 1 20 . 1 1 84 84 LEU C C 84 177.585 177.585 176.820 0.765 19755 9830 1 20 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.058 -0.016 19755 9831 1 20 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.515 -1.136 19755 9832 1 20 . 1 1 84 84 LEU H H 84 7.955 7.955 7.636 0.319 19755 9833 1 20 . 1 1 85 85 ASP N N 85 119.668 119.668 119.826 -0.158 19755 9834 1 20 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.430 0.070 19755 9835 1 20 . 1 1 85 85 ASP C C 85 176.445 176.445 177.292 -0.847 19755 9836 1 20 . 1 1 85 85 ASP CA C 85 55.143 55.143 56.459 -1.315 19755 9837 1 20 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.600 -0.484 19755 9838 1 20 . 1 1 85 85 ASP H H 85 8.207 8.207 8.417 -0.210 19755 9839 1 20 . 1 1 86 86 LYS N N 86 119.760 119.760 119.852 -0.092 19755 9840 1 20 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.303 -0.050 19755 9841 1 20 . 1 1 86 86 LYS C C 86 176.336 176.336 176.073 0.263 19755 9842 1 20 . 1 1 86 86 LYS CA C 86 56.519 56.519 55.730 0.789 19755 9843 1 20 . 1 1 86 86 LYS CB C 86 33.072 33.072 33.080 -0.008 19755 9844 1 20 . 1 1 86 86 LYS H H 86 7.843 7.843 8.165 -0.322 19755 9845 1 20 . 1 1 87 87 LEU N N 87 122.086 122.086 122.392 -0.306 19755 9846 1 20 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.283 0.026 19755 9847 1 20 . 1 1 87 87 LEU C C 87 176.952 176.952 177.087 -0.135 19755 9848 1 20 . 1 1 87 87 LEU CA C 87 55.369 55.369 55.307 0.062 19755 9849 1 20 . 1 1 87 87 LEU CB C 87 42.407 42.407 41.792 0.615 19755 9850 1 20 . 1 1 87 87 LEU H H 87 8.008 8.008 8.320 -0.312 19755 9851 1 20 . 1 1 88 88 VAL N N 88 122.409 122.409 118.113 4.296 19755 9852 1 20 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.604 -0.230 19755 9853 1 20 . 1 1 88 88 VAL C C 88 174.225 174.225 173.948 0.277 19755 9854 1 20 . 1 1 88 88 VAL CA C 88 59.992 59.992 58.660 1.332 19755 9855 1 20 . 1 1 88 88 VAL CB C 88 32.946 32.946 31.539 1.407 19755 9856 1 20 . 1 1 88 88 VAL H H 88 7.919 7.919 8.020 -0.101 19755 9857 1 20 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.551 -0.181 19755 9858 1 20 . 1 1 89 89 PRO C C 89 176.035 176.035 176.146 -0.111 19755 9859 1 20 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.185 0.407 19755 9860 1 20 . 1 1 89 89 PRO CB C 89 32.218 32.218 32.174 0.044 19755 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 81 2.844 -0.873 2.724 19755 2 1 1 "Average Difference" HA 89 0.324 0.021 0.325 19755 3 1 1 "Average Difference" C 77 1.058 0.081 1.062 19755 4 1 1 "Average Difference" CA 88 1.193 -0.092 1.196 19755 5 1 1 "Average Difference" CB 84 1.146 -0.135 1.144 19755 6 1 1 "Average Difference" HN 81 0.470 -0.000 0.473 19755 7 1 2 "Average Difference" N 81 2.485 -0.807 2.364 19755 8 1 2 "Average Difference" HA 89 0.342 0.043 0.341 19755 9 1 2 "Average Difference" C 77 1.059 0.095 1.062 19755 10 1 2 "Average Difference" CA 88 1.079 -0.127 1.077 19755 11 1 2 "Average Difference" CB 84 1.102 -0.048 1.107 19755 12 1 2 "Average Difference" HN 81 0.362 0.051 0.361 19755 13 1 3 "Average Difference" N 81 2.702 -0.769 2.606 19755 14 1 3 "Average Difference" HA 89 0.337 0.011 0.339 19755 15 1 3 "Average Difference" C 77 1.074 0.116 1.075 19755 16 1 3 "Average Difference" CA 88 1.106 -0.066 1.110 19755 17 1 3 "Average Difference" CB 84 1.219 -0.229 1.204 19755 18 1 3 "Average Difference" HN 81 0.377 0.029 0.378 19755 19 1 4 "Average Difference" N 81 2.975 -1.077 2.791 19755 20 1 4 "Average Difference" HA 89 0.337 0.022 0.338 19755 21 1 4 "Average Difference" C 77 1.038 0.004 1.045 19755 22 1 4 "Average Difference" CA 88 1.024 -0.089 1.026 19755 23 1 4 "Average Difference" CB 84 1.116 -0.106 1.118 19755 24 1 4 "Average Difference" HN 81 0.433 0.020 0.436 19755 25 1 5 "Average Difference" N 81 2.711 -0.982 2.542 19755 26 1 5 "Average Difference" HA 89 0.308 0.060 0.304 19755 27 1 5 "Average Difference" C 77 1.022 0.074 1.026 19755 28 1 5 "Average Difference" CA 88 1.043 -0.118 1.042 19755 29 1 5 "Average Difference" CB 84 0.959 -0.099 0.960 19755 30 1 5 "Average Difference" HN 81 0.384 0.060 0.381 19755 31 1 6 "Average Difference" N 81 2.818 -0.868 2.698 19755 32 1 6 "Average Difference" HA 89 0.323 0.075 0.316 19755 33 1 6 "Average Difference" C 77 1.056 -0.058 1.061 19755 34 1 6 "Average Difference" CA 88 1.023 -0.213 1.006 19755 35 1 6 "Average Difference" CB 84 1.046 0.047 1.051 19755 36 1 6 "Average Difference" HN 81 0.426 0.015 0.429 19755 37 1 7 "Average Difference" N 81 2.677 -0.747 2.587 19755 38 1 7 "Average Difference" HA 89 0.291 0.048 0.289 19755 39 1 7 "Average Difference" C 77 1.036 0.134 1.034 19755 40 1 7 "Average Difference" CA 88 1.131 -0.084 1.135 19755 41 1 7 "Average Difference" CB 84 0.980 -0.068 0.983 19755 42 1 7 "Average Difference" HN 81 0.382 0.037 0.383 19755 43 1 8 "Average Difference" N 81 2.831 -0.783 2.738 19755 44 1 8 "Average Difference" HA 89 0.310 0.043 0.309 19755 45 1 8 "Average Difference" C 77 1.036 0.012 1.042 19755 46 1 8 "Average Difference" CA 88 1.070 -0.085 1.073 19755 47 1 8 "Average Difference" CB 84 1.011 -0.072 1.015 19755 48 1 8 "Average Difference" HN 81 0.411 0.029 0.412 19755 49 1 9 "Average Difference" N 81 2.815 -0.965 2.661 19755 50 1 9 "Average Difference" HA 89 0.309 0.062 0.304 19755 51 1 9 "Average Difference" C 77 1.019 0.128 1.017 19755 52 1 9 "Average Difference" CA 88 1.021 -0.034 1.026 19755 53 1 9 "Average Difference" CB 84 1.196 -0.177 1.190 19755 54 1 9 "Average Difference" HN 81 0.401 0.029 0.402 19755 55 1 10 "Average Difference" N 81 2.984 -0.875 2.870 19755 56 1 10 "Average Difference" HA 89 0.317 0.054 0.314 19755 57 1 10 "Average Difference" C 77 1.042 0.012 1.049 19755 58 1 10 "Average Difference" CA 88 1.109 -0.202 1.097 19755 59 1 10 "Average Difference" CB 84 1.028 -0.120 1.027 19755 60 1 10 "Average Difference" HN 81 0.441 0.013 0.444 19755 61 1 11 "Average Difference" N 81 2.492 -0.552 2.446 19755 62 1 11 "Average Difference" HA 89 0.296 0.055 0.292 19755 63 1 11 "Average Difference" C 77 1.059 0.093 1.062 19755 64 1 11 "Average Difference" CA 88 1.029 -0.045 1.034 19755 65 1 11 "Average Difference" CB 84 1.083 -0.128 1.082 19755 66 1 11 "Average Difference" HN 81 0.385 0.074 0.380 19755 67 1 12 "Average Difference" N 81 2.852 -0.847 2.740 19755 68 1 12 "Average Difference" HA 89 0.310 0.034 0.310 19755 69 1 12 "Average Difference" C 77 1.054 0.033 1.060 19755 70 1 12 "Average Difference" CA 88 1.062 -0.108 1.063 19755 71 1 12 "Average Difference" CB 84 1.011 -0.108 1.011 19755 72 1 12 "Average Difference" HN 81 0.394 0.023 0.395 19755 73 1 13 "Average Difference" N 81 2.975 -1.150 2.760 19755 74 1 13 "Average Difference" HA 89 0.308 0.015 0.309 19755 75 1 13 "Average Difference" C 77 0.984 0.152 0.978 19755 76 1 13 "Average Difference" CA 88 1.139 -0.033 1.145 19755 77 1 13 "Average Difference" CB 84 1.066 -0.142 1.063 19755 78 1 13 "Average Difference" HN 81 0.468 -0.012 0.471 19755 79 1 14 "Average Difference" N 81 2.637 -0.763 2.540 19755 80 1 14 "Average Difference" HA 89 0.315 0.047 0.313 19755 81 1 14 "Average Difference" C 77 1.046 -0.071 1.051 19755 82 1 14 "Average Difference" CA 88 1.085 -0.110 1.086 19755 83 1 14 "Average Difference" CB 84 1.113 0.002 1.119 19755 84 1 14 "Average Difference" HN 81 0.400 0.031 0.401 19755 85 1 15 "Average Difference" N 81 2.853 -0.948 2.708 19755 86 1 15 "Average Difference" HA 89 0.314 0.037 0.313 19755 87 1 15 "Average Difference" C 77 0.998 0.059 1.003 19755 88 1 15 "Average Difference" CA 88 1.111 -0.020 1.117 19755 89 1 15 "Average Difference" CB 84 1.098 -0.064 1.103 19755 90 1 15 "Average Difference" HN 81 0.423 0.058 0.422 19755 91 1 16 "Average Difference" N 81 3.011 -0.834 2.911 19755 92 1 16 "Average Difference" HA 89 0.343 0.034 0.343 19755 93 1 16 "Average Difference" C 77 1.039 -0.033 1.046 19755 94 1 16 "Average Difference" CA 88 1.021 -0.125 1.019 19755 95 1 16 "Average Difference" CB 84 1.135 -0.094 1.138 19755 96 1 16 "Average Difference" HN 81 0.448 0.024 0.450 19755 97 1 17 "Average Difference" N 81 2.847 -1.025 2.672 19755 98 1 17 "Average Difference" HA 89 0.322 0.059 0.319 19755 99 1 17 "Average Difference" C 77 1.007 0.150 1.003 19755 100 1 17 "Average Difference" CA 88 1.028 -0.050 1.033 19755 101 1 17 "Average Difference" CB 84 1.032 -0.017 1.038 19755 102 1 17 "Average Difference" HN 81 0.385 0.027 0.386 19755 103 1 18 "Average Difference" N 81 2.713 -0.836 2.596 19755 104 1 18 "Average Difference" HA 89 0.309 0.062 0.304 19755 105 1 18 "Average Difference" C 77 1.038 0.247 1.015 19755 106 1 18 "Average Difference" CA 88 1.015 -0.068 1.019 19755 107 1 18 "Average Difference" CB 84 1.073 -0.086 1.076 19755 108 1 18 "Average Difference" HN 81 0.401 0.068 0.397 19755 109 1 19 "Average Difference" N 81 2.814 -0.733 2.734 19755 110 1 19 "Average Difference" HA 89 0.338 0.051 0.336 19755 111 1 19 "Average Difference" C 77 1.105 0.038 1.112 19755 112 1 19 "Average Difference" CA 88 1.023 -0.098 1.024 19755 113 1 19 "Average Difference" CB 84 1.150 -0.133 1.149 19755 114 1 19 "Average Difference" HN 81 0.406 0.057 0.404 19755 115 1 20 "Average Difference" N 81 2.891 -0.907 2.762 19755 116 1 20 "Average Difference" HA 89 0.304 0.079 0.295 19755 117 1 20 "Average Difference" C 77 1.004 -0.054 1.009 19755 118 1 20 "Average Difference" CA 88 1.029 -0.209 1.013 19755 119 1 20 "Average Difference" CB 84 1.024 0.034 1.030 19755 120 1 20 "Average Difference" HN 81 0.405 0.061 0.403 19755 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 19755 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 123.952 123.952 122.240 1.712 19755 2 1 . 1 1 2 2 GLU HA H 2 4.681 4.681 4.831 -0.150 19755 3 1 . 1 1 2 2 GLU C C 2 174.704 174.704 175.108 -0.404 19755 4 1 . 1 1 2 2 GLU CA C 2 55.866 55.866 55.485 0.381 19755 5 1 . 1 1 2 2 GLU CB C 2 32.406 32.406 31.757 0.649 19755 6 1 . 1 1 2 2 GLU H H 2 8.571 8.571 8.691 -0.120 19755 7 1 . 1 1 3 3 ILE N N 3 121.558 121.558 123.076 -1.518 19755 8 1 . 1 1 3 3 ILE HA H 3 4.712 4.712 4.583 0.129 19755 9 1 . 1 1 3 3 ILE C C 3 174.736 174.736 176.155 -1.419 19755 10 1 . 1 1 3 3 ILE CA C 3 60.277 60.277 59.864 0.413 19755 11 1 . 1 1 3 3 ILE CB C 3 40.861 40.861 39.578 1.283 19755 12 1 . 1 1 3 3 ILE H H 3 8.565 8.565 8.483 0.082 19755 13 1 . 1 1 4 4 GLU N N 4 126.319 126.319 125.799 0.520 19755 14 1 . 1 1 4 4 GLU HA H 4 4.561 4.561 4.641 -0.080 19755 15 1 . 1 1 4 4 GLU C C 4 174.708 174.708 174.547 0.161 19755 16 1 . 1 1 4 4 GLU CA C 4 55.228 55.228 54.850 0.378 19755 17 1 . 1 1 4 4 GLU CB C 4 33.009 33.009 33.614 -0.605 19755 18 1 . 1 1 4 4 GLU H H 4 9.153 9.153 9.088 0.065 19755 19 1 . 1 1 5 5 ARG N N 5 127.727 127.727 126.018 1.709 19755 20 1 . 1 1 5 5 ARG HA H 5 4.560 4.560 4.583 -0.023 19755 21 1 . 1 1 5 5 ARG C C 5 175.807 175.807 176.020 -0.213 19755 22 1 . 1 1 5 5 ARG CA C 5 55.123 55.123 54.896 0.227 19755 23 1 . 1 1 5 5 ARG CB C 5 29.653 29.653 29.927 -0.274 19755 24 1 . 1 1 5 5 ARG H H 5 9.002 9.002 8.816 0.186 19755 25 1 . 1 1 6 6 ILE N N 6 129.149 129.149 126.879 2.270 19755 26 1 . 1 1 6 6 ILE HA H 6 3.904 3.904 3.922 -0.018 19755 27 1 . 1 1 6 6 ILE C C 6 176.468 176.468 176.552 -0.084 19755 28 1 . 1 1 6 6 ILE CA C 6 62.971 62.971 62.652 0.319 19755 29 1 . 1 1 6 6 ILE CB C 6 38.162 38.162 37.984 0.178 19755 30 1 . 1 1 6 6 ILE H H 6 8.030 8.030 8.437 -0.407 19755 31 1 . 1 1 7 7 ASN N N 7 112.808 112.808 115.898 -3.090 19755 32 1 . 1 1 7 7 ASN HA H 7 4.559 4.559 4.804 -0.245 19755 33 1 . 1 1 7 7 ASN C C 7 175.254 175.254 174.263 0.991 19755 34 1 . 1 1 7 7 ASN CA C 7 52.853 52.853 51.971 0.882 19755 35 1 . 1 1 7 7 ASN CB C 7 38.275 38.275 39.137 -0.862 19755 36 1 . 1 1 7 7 ASN H H 7 8.147 8.147 7.800 0.347 19755 37 1 . 1 1 8 8 GLU N N 8 121.087 121.087 117.957 3.131 19755 38 1 . 1 1 8 8 GLU HA H 8 4.050 4.050 4.031 0.019 19755 39 1 . 1 1 8 8 GLU C C 8 176.486 176.486 176.524 -0.038 19755 40 1 . 1 1 8 8 GLU CA C 8 59.802 59.802 58.120 1.682 19755 41 1 . 1 1 8 8 GLU CB C 8 29.451 29.451 29.187 0.264 19755 42 1 . 1 1 8 8 GLU H H 8 8.770 8.770 8.643 0.127 19755 43 1 . 1 1 9 9 HIS N N 9 113.719 113.719 115.169 -1.450 19755 44 1 . 1 1 9 9 HIS HA H 9 4.965 4.965 4.769 0.196 19755 45 1 . 1 1 9 9 HIS CA C 9 55.805 55.805 56.639 -0.834 19755 46 1 . 1 1 9 9 HIS CB C 9 32.984 32.984 32.404 0.580 19755 47 1 . 1 1 9 9 HIS H H 9 7.921 7.921 8.271 -0.350 19755 48 1 . 1 1 10 10 THR N N 10 116.218 116.218 117.696 -1.478 19755 49 1 . 1 1 10 10 THR HA H 10 5.736 5.736 5.031 0.705 19755 50 1 . 1 1 10 10 THR C C 10 173.396 173.396 173.620 -0.224 19755 51 1 . 1 1 10 10 THR CA C 10 62.820 62.820 63.282 -0.462 19755 52 1 . 1 1 10 10 THR CB C 10 71.465 71.465 70.155 1.310 19755 53 1 . 1 1 10 10 THR H H 10 7.349 7.349 8.809 -1.461 19755 54 1 . 1 1 11 11 VAL N N 11 124.880 124.880 120.282 4.599 19755 55 1 . 1 1 11 11 VAL HA H 11 4.857 4.857 5.003 -0.146 19755 56 1 . 1 1 11 11 VAL C C 11 172.156 172.156 173.646 -1.490 19755 57 1 . 1 1 11 11 VAL CA C 11 59.876 59.876 59.202 0.674 19755 58 1 . 1 1 11 11 VAL CB C 11 35.986 35.986 35.359 0.627 19755 59 1 . 1 1 11 11 VAL H H 11 9.043 9.043 8.996 0.047 19755 60 1 . 1 1 12 12 LYS N N 12 124.164 124.164 119.341 4.823 19755 61 1 . 1 1 12 12 LYS HA H 12 5.584 5.584 5.439 0.145 19755 62 1 . 1 1 12 12 LYS C C 12 173.380 173.380 174.957 -1.577 19755 63 1 . 1 1 12 12 LYS CA C 12 54.205 54.205 54.559 -0.354 19755 64 1 . 1 1 12 12 LYS CB C 12 37.457 37.457 36.859 0.598 19755 65 1 . 1 1 12 12 LYS H H 12 8.884 8.884 8.589 0.295 19755 66 1 . 1 1 13 13 PHE N N 13 124.228 124.228 114.199 10.029 19755 67 1 . 1 1 13 13 PHE HA H 13 5.328 5.328 5.452 -0.124 19755 68 1 . 1 1 13 13 PHE C C 13 172.237 172.237 172.885 -0.648 19755 69 1 . 1 1 13 13 PHE CA C 13 55.986 55.986 55.995 -0.009 19755 70 1 . 1 1 13 13 PHE CB C 13 41.916 41.916 42.199 -0.283 19755 71 1 . 1 1 13 13 PHE H H 13 8.989 8.989 8.893 0.096 19755 72 1 . 1 1 14 14 TYR N N 14 121.263 121.263 121.410 -0.147 19755 73 1 . 1 1 14 14 TYR HA H 14 5.387 5.387 5.451 -0.064 19755 74 1 . 1 1 14 14 TYR C C 14 174.713 174.713 173.542 1.171 19755 75 1 . 1 1 14 14 TYR CA C 14 55.953 55.953 55.913 0.040 19755 76 1 . 1 1 14 14 TYR CB C 14 41.508 41.508 42.460 -0.952 19755 77 1 . 1 1 14 14 TYR H H 14 8.670 8.670 9.033 -0.363 19755 78 1 . 1 1 15 15 MET N N 15 124.869 124.869 126.543 -1.674 19755 79 1 . 1 1 15 15 MET HA H 15 4.417 4.417 4.706 -0.289 19755 80 1 . 1 1 15 15 MET C C 15 173.614 173.614 173.739 -0.125 19755 81 1 . 1 1 15 15 MET CA C 15 54.305 54.305 54.117 0.188 19755 82 1 . 1 1 15 15 MET CB C 15 37.439 37.439 35.731 1.708 19755 83 1 . 1 1 15 15 MET H H 15 7.927 7.927 8.598 -0.671 19755 84 1 . 1 1 16 16 SER N N 16 120.626 120.626 123.260 -2.634 19755 85 1 . 1 1 16 16 SER HA H 16 4.396 4.396 4.315 0.081 19755 86 1 . 1 1 16 16 SER C C 16 175.508 175.508 175.747 -0.239 19755 87 1 . 1 1 16 16 SER CA C 16 57.637 57.637 58.392 -0.755 19755 88 1 . 1 1 16 16 SER CB C 16 65.033 65.033 63.927 1.107 19755 89 1 . 1 1 16 16 SER H H 16 9.061 9.061 8.609 0.452 19755 90 1 . 1 1 17 17 TYR N N 17 119.917 119.917 123.553 -3.636 19755 91 1 . 1 1 17 17 TYR HA H 17 4.360 4.360 4.255 0.105 19755 92 1 . 1 1 17 17 TYR C C 17 178.684 178.684 178.119 0.565 19755 93 1 . 1 1 17 17 TYR CA C 17 61.956 61.956 60.351 1.605 19755 94 1 . 1 1 17 17 TYR CB C 17 36.989 36.989 37.618 -0.629 19755 95 1 . 1 1 17 17 TYR H H 17 8.411 8.411 8.521 -0.110 19755 96 1 . 1 1 18 18 GLY N N 18 107.011 107.011 105.368 1.643 19755 97 1 . 1 1 18 18 GLY C C 18 175.454 175.454 175.800 -0.346 19755 98 1 . 1 1 18 18 GLY CA C 18 47.446 47.446 46.114 1.332 19755 99 1 . 1 1 18 18 GLY H H 18 8.534 8.534 8.796 -0.262 19755 100 1 . 1 1 19 19 ASP N N 19 122.947 122.947 122.535 0.412 19755 101 1 . 1 1 19 19 ASP HA H 19 4.392 4.392 4.490 -0.098 19755 102 1 . 1 1 19 19 ASP C C 19 179.020 179.020 178.373 0.647 19755 103 1 . 1 1 19 19 ASP CA C 19 57.443 57.443 57.420 0.023 19755 104 1 . 1 1 19 19 ASP CB C 19 40.914 40.914 41.023 -0.109 19755 105 1 . 1 1 19 19 ASP H H 19 7.788 7.788 7.871 -0.083 19755 106 1 . 1 1 20 20 ILE N N 20 119.114 119.114 120.399 -1.285 19755 107 1 . 1 1 20 20 ILE HA H 20 3.528 3.528 3.715 -0.187 19755 108 1 . 1 1 20 20 ILE C C 20 177.939 177.939 177.677 0.262 19755 109 1 . 1 1 20 20 ILE CA C 20 66.310 66.310 65.138 1.172 19755 110 1 . 1 1 20 20 ILE CB C 20 38.886 38.886 38.179 0.707 19755 111 1 . 1 1 20 20 ILE H H 20 7.762 7.762 7.488 0.274 19755 112 1 . 1 1 21 21 GLU N N 21 119.999 119.999 120.175 -0.176 19755 113 1 . 1 1 21 21 GLU HA H 21 4.582 4.582 4.231 0.351 19755 114 1 . 1 1 21 21 GLU C C 21 181.888 181.888 179.109 2.779 19755 115 1 . 1 1 21 21 GLU CA C 21 59.207 59.207 59.173 0.034 19755 116 1 . 1 1 21 21 GLU CB C 21 29.414 29.414 29.303 0.111 19755 117 1 . 1 1 21 21 GLU H H 21 8.113 8.113 8.319 -0.205 19755 118 1 . 1 1 22 22 ASP N N 22 122.667 122.667 120.053 2.614 19755 119 1 . 1 1 22 22 ASP HA H 22 4.474 4.474 4.472 0.002 19755 120 1 . 1 1 22 22 ASP C C 22 178.184 178.184 178.279 -0.095 19755 121 1 . 1 1 22 22 ASP CA C 22 57.335 57.335 56.464 0.871 19755 122 1 . 1 1 22 22 ASP CB C 22 40.867 40.867 40.992 -0.125 19755 123 1 . 1 1 22 22 ASP H H 22 8.699 8.699 7.981 0.718 19755 124 1 . 1 1 23 23 ARG N N 23 116.862 116.862 117.399 -0.537 19755 125 1 . 1 1 23 23 ARG HA H 23 4.344 4.344 4.342 0.002 19755 126 1 . 1 1 23 23 ARG C C 23 176.101 176.101 177.041 -0.940 19755 127 1 . 1 1 23 23 ARG CA C 23 56.652 56.652 56.642 0.010 19755 128 1 . 1 1 23 23 ARG CB C 23 30.797 30.797 30.685 0.112 19755 129 1 . 1 1 23 23 ARG H H 23 7.380 7.380 7.801 -0.421 19755 130 1 . 1 1 24 24 GLY N N 24 106.318 106.318 105.874 0.444 19755 131 1 . 1 1 24 24 GLY C C 24 174.117 174.117 174.691 -0.574 19755 132 1 . 1 1 24 24 GLY CA C 24 45.493 45.493 45.344 0.149 19755 133 1 . 1 1 24 24 GLY H H 24 8.004 8.004 7.862 0.142 19755 134 1 . 1 1 25 25 PHE N N 25 118.274 118.274 120.198 -1.924 19755 135 1 . 1 1 25 25 PHE HA H 25 4.622 4.622 4.650 -0.028 19755 136 1 . 1 1 25 25 PHE C C 25 174.127 174.127 174.798 -0.671 19755 137 1 . 1 1 25 25 PHE CA C 25 56.930 56.930 57.297 -0.367 19755 138 1 . 1 1 25 25 PHE CB C 25 41.871 41.871 40.010 1.861 19755 139 1 . 1 1 25 25 PHE H H 25 7.550 7.550 8.201 -0.651 19755 140 1 . 1 1 26 26 ASP N N 26 121.320 121.320 118.008 3.312 19755 141 1 . 1 1 26 26 ASP HA H 26 4.894 4.894 4.984 -0.091 19755 142 1 . 1 1 26 26 ASP C C 26 177.370 177.370 177.191 0.179 19755 143 1 . 1 1 26 26 ASP CA C 26 53.107 53.107 52.500 0.607 19755 144 1 . 1 1 26 26 ASP CB C 26 44.066 44.066 43.828 0.238 19755 145 1 . 1 1 26 26 ASP H H 26 8.891 8.891 8.419 0.472 19755 146 1 . 1 1 27 27 ARG N N 27 124.100 124.100 123.790 0.310 19755 147 1 . 1 1 27 27 ARG HA H 27 3.842 3.842 3.950 -0.108 19755 148 1 . 1 1 27 27 ARG C C 27 176.201 176.201 177.510 -1.309 19755 149 1 . 1 1 27 27 ARG CA C 27 59.857 59.857 59.147 0.710 19755 150 1 . 1 1 27 27 ARG CB C 27 29.675 29.675 30.061 -0.386 19755 151 1 . 1 1 27 27 ARG H H 27 9.033 9.033 8.748 0.285 19755 152 1 . 1 1 28 28 GLU N N 28 118.451 118.451 118.838 -0.387 19755 153 1 . 1 1 28 28 GLU HA H 28 4.037 4.037 4.308 -0.271 19755 154 1 . 1 1 28 28 GLU C C 28 178.889 178.889 178.993 -0.104 19755 155 1 . 1 1 28 28 GLU CA C 28 59.255 59.255 59.108 0.147 19755 156 1 . 1 1 28 28 GLU CB C 28 29.450 29.450 29.532 -0.082 19755 157 1 . 1 1 28 28 GLU H H 28 8.362 8.362 8.228 0.134 19755 158 1 . 1 1 29 29 GLU N N 29 118.302 118.302 120.351 -2.049 19755 159 1 . 1 1 29 29 GLU HA H 29 4.085 4.085 4.177 -0.092 19755 160 1 . 1 1 29 29 GLU C C 29 178.137 178.137 178.940 -0.803 19755 161 1 . 1 1 29 29 GLU CA C 29 58.960 58.960 59.162 -0.202 19755 162 1 . 1 1 29 29 GLU CB C 29 30.452 30.452 29.102 1.350 19755 163 1 . 1 1 29 29 GLU H H 29 7.821 7.821 8.191 -0.370 19755 164 1 . 1 1 30 30 ILE N N 30 115.456 115.456 118.780 -3.324 19755 165 1 . 1 1 30 30 ILE HA H 30 3.627 3.627 3.690 -0.063 19755 166 1 . 1 1 30 30 ILE C C 30 176.229 176.229 177.905 -1.676 19755 167 1 . 1 1 30 30 ILE CA C 30 62.063 62.063 65.556 -3.493 19755 168 1 . 1 1 30 30 ILE CB C 30 35.940 35.940 36.830 -0.890 19755 169 1 . 1 1 30 30 ILE H H 30 7.363 7.363 8.307 -0.944 19755 170 1 . 1 1 31 31 TRP N N 31 116.714 116.714 117.123 -0.409 19755 171 1 . 1 1 31 31 TRP HA H 31 4.150 4.150 4.297 -0.147 19755 172 1 . 1 1 31 31 TRP C C 31 178.092 178.092 177.304 0.788 19755 173 1 . 1 1 31 31 TRP CA C 31 59.618 59.618 58.372 1.246 19755 174 1 . 1 1 31 31 TRP CB C 31 29.628 29.628 29.211 0.417 19755 175 1 . 1 1 31 31 TRP H H 31 7.410 7.410 7.234 0.176 19755 176 1 . 1 1 32 32 TYR N N 32 112.769 112.769 113.906 -1.137 19755 177 1 . 1 1 32 32 TYR HA H 32 4.766 4.766 4.699 0.067 19755 178 1 . 1 1 32 32 TYR C C 32 175.767 175.767 175.537 0.230 19755 179 1 . 1 1 32 32 TYR CA C 32 58.632 58.632 57.709 0.923 19755 180 1 . 1 1 32 32 TYR CB C 32 40.222 40.222 38.828 1.394 19755 181 1 . 1 1 32 32 TYR H H 32 7.577 7.577 7.367 0.210 19755 182 1 . 1 1 33 33 ASN N N 33 120.521 120.521 119.566 0.955 19755 183 1 . 1 1 33 33 ASN HA H 33 5.048 5.048 5.088 -0.040 19755 184 1 . 1 1 33 33 ASN C C 33 174.851 174.851 174.793 0.058 19755 185 1 . 1 1 33 33 ASN CA C 33 52.320 52.320 52.921 -0.601 19755 186 1 . 1 1 33 33 ASN CB C 33 39.213 39.213 39.682 -0.469 19755 187 1 . 1 1 33 33 ASN H H 33 8.364 8.364 7.958 0.406 19755 188 1 . 1 1 34 34 ARG N N 34 126.163 126.163 125.146 1.017 19755 189 1 . 1 1 34 34 ARG HA H 34 4.185 4.185 4.000 0.185 19755 190 1 . 1 1 34 34 ARG C C 34 178.509 178.509 177.588 0.921 19755 191 1 . 1 1 34 34 ARG CA C 34 58.504 58.504 59.767 -1.263 19755 192 1 . 1 1 34 34 ARG CB C 34 29.493 29.493 30.363 -0.870 19755 193 1 . 1 1 34 34 ARG H H 34 8.830 8.830 8.933 -0.103 19755 194 1 . 1 1 35 35 GLU N N 35 118.994 118.994 116.760 2.234 19755 195 1 . 1 1 35 35 GLU HA H 35 4.160 4.160 4.289 -0.129 19755 196 1 . 1 1 35 35 GLU C C 35 179.839 179.839 178.284 1.555 19755 197 1 . 1 1 35 35 GLU CA C 35 60.191 60.191 58.680 1.511 19755 198 1 . 1 1 35 35 GLU CB C 35 29.433 29.433 28.901 0.532 19755 199 1 . 1 1 35 35 GLU H H 35 8.380 8.380 8.774 -0.394 19755 200 1 . 1 1 36 36 ARG N N 36 119.197 119.197 119.610 -0.413 19755 201 1 . 1 1 36 36 ARG HA H 36 4.400 4.400 4.509 -0.109 19755 202 1 . 1 1 36 36 ARG C C 36 178.217 178.217 178.539 -0.322 19755 203 1 . 1 1 36 36 ARG CA C 36 57.394 57.394 56.522 0.872 19755 204 1 . 1 1 36 36 ARG CB C 36 29.535 29.535 29.718 -0.183 19755 205 1 . 1 1 36 36 ARG H H 36 7.686 7.686 7.975 -0.289 19755 206 1 . 1 1 37 37 SER N N 37 114.607 114.607 116.197 -1.590 19755 207 1 . 1 1 37 37 SER HA H 37 3.899 3.899 4.142 -0.243 19755 208 1 . 1 1 37 37 SER C C 37 178.298 178.298 176.235 2.063 19755 209 1 . 1 1 37 37 SER CA C 37 62.455 62.455 61.751 0.704 19755 210 1 . 1 1 37 37 SER CB C 37 62.542 62.542 62.845 -0.303 19755 211 1 . 1 1 37 37 SER H H 37 8.282 8.282 8.251 0.031 19755 212 1 . 1 1 38 38 GLU N N 38 121.063 121.063 122.269 -1.206 19755 213 1 . 1 1 38 38 GLU HA H 38 3.756 3.756 4.151 -0.395 19755 214 1 . 1 1 38 38 GLU C C 38 177.182 177.182 178.743 -1.561 19755 215 1 . 1 1 38 38 GLU CA C 38 60.298 60.298 59.693 0.605 19755 216 1 . 1 1 38 38 GLU CB C 38 29.274 29.274 29.562 -0.288 19755 217 1 . 1 1 38 38 GLU H H 38 7.849 7.849 8.072 -0.223 19755 218 1 . 1 1 39 39 GLU N N 39 119.119 119.119 119.043 0.076 19755 219 1 . 1 1 39 39 GLU HA H 39 4.229 4.229 4.198 0.031 19755 220 1 . 1 1 39 39 GLU C C 39 179.781 179.781 178.940 0.841 19755 221 1 . 1 1 39 39 GLU CA C 39 60.172 60.172 58.864 1.308 19755 222 1 . 1 1 39 39 GLU CB C 39 30.059 30.059 28.927 1.132 19755 223 1 . 1 1 39 39 GLU H H 39 7.686 7.686 7.889 -0.203 19755 224 1 . 1 1 40 40 LEU N N 40 120.164 120.164 120.512 -0.348 19755 225 1 . 1 1 40 40 LEU HA H 40 3.692 3.692 3.711 -0.019 19755 226 1 . 1 1 40 40 LEU C C 40 177.155 177.155 177.955 -0.800 19755 227 1 . 1 1 40 40 LEU CA C 40 58.264 58.264 58.155 0.109 19755 228 1 . 1 1 40 40 LEU CB C 40 40.449 40.449 41.288 -0.839 19755 229 1 . 1 1 40 40 LEU H H 40 7.739 7.739 7.739 0.000 19755 230 1 . 1 1 41 41 PHE N N 41 118.207 118.207 116.879 1.328 19755 231 1 . 1 1 41 41 PHE HA H 41 3.805 3.805 4.132 -0.327 19755 232 1 . 1 1 41 41 PHE C C 41 176.387 176.387 177.789 -1.402 19755 233 1 . 1 1 41 41 PHE CA C 41 61.364 61.364 61.593 -0.229 19755 234 1 . 1 1 41 41 PHE CB C 41 38.069 38.069 38.046 0.023 19755 235 1 . 1 1 41 41 PHE H H 41 7.825 7.825 7.243 0.582 19755 236 1 . 1 1 42 42 TRP N N 42 117.448 117.448 119.007 -1.559 19755 237 1 . 1 1 42 42 TRP HA H 42 4.124 4.124 4.188 -0.064 19755 238 1 . 1 1 42 42 TRP C C 42 179.071 179.071 178.505 0.566 19755 239 1 . 1 1 42 42 TRP CA C 42 60.079 60.079 61.129 -1.050 19755 240 1 . 1 1 42 42 TRP CB C 42 29.454 29.454 29.269 0.185 19755 241 1 . 1 1 42 42 TRP H H 42 8.266 8.266 8.766 -0.500 19755 242 1 . 1 1 43 43 GLU N N 43 120.573 120.573 119.265 1.308 19755 243 1 . 1 1 43 43 GLU HA H 43 4.159 4.159 4.025 0.134 19755 244 1 . 1 1 43 43 GLU C C 43 179.556 179.556 178.863 0.693 19755 245 1 . 1 1 43 43 GLU CA C 43 60.181 60.181 59.521 0.660 19755 246 1 . 1 1 43 43 GLU CB C 43 29.502 29.502 29.353 0.149 19755 247 1 . 1 1 43 43 GLU H H 43 7.918 7.918 7.826 0.092 19755 248 1 . 1 1 44 44 VAL N N 44 119.502 119.502 116.581 2.921 19755 249 1 . 1 1 44 44 VAL HA H 44 3.445 3.445 3.584 -0.139 19755 250 1 . 1 1 44 44 VAL C C 44 178.356 178.356 177.658 0.698 19755 251 1 . 1 1 44 44 VAL CA C 44 66.390 66.390 65.312 1.078 19755 252 1 . 1 1 44 44 VAL CB C 44 31.220 31.220 30.994 0.226 19755 253 1 . 1 1 44 44 VAL H H 44 7.947 7.947 7.468 0.479 19755 254 1 . 1 1 45 45 MET N N 45 117.691 117.691 118.992 -1.301 19755 255 1 . 1 1 45 45 MET HA H 45 4.118 4.118 4.148 -0.030 19755 256 1 . 1 1 45 45 MET C C 45 179.207 179.207 178.738 0.469 19755 257 1 . 1 1 45 45 MET CA C 45 56.677 56.677 57.606 -0.929 19755 258 1 . 1 1 45 45 MET CB C 45 31.094 31.094 31.619 -0.525 19755 259 1 . 1 1 45 45 MET H H 45 7.998 7.998 8.187 -0.189 19755 260 1 . 1 1 46 46 ASP N N 46 119.109 119.109 120.560 -1.451 19755 261 1 . 1 1 46 46 ASP HA H 46 4.541 4.541 4.317 0.224 19755 262 1 . 1 1 46 46 ASP CA C 46 56.942 56.942 57.375 -0.433 19755 263 1 . 1 1 46 46 ASP CB C 46 41.428 41.428 40.816 0.612 19755 264 1 . 1 1 46 46 ASP H H 46 7.773 7.773 8.230 -0.457 19755 265 1 . 1 1 47 47 GLU N N 47 118.018 118.018 118.666 -0.648 19755 266 1 . 1 1 47 47 GLU HA H 47 4.168 4.168 4.171 -0.003 19755 267 1 . 1 1 47 47 GLU C C 47 177.957 177.957 177.606 0.351 19755 268 1 . 1 1 47 47 GLU CA C 47 57.977 57.977 58.376 -0.398 19755 269 1 . 1 1 47 47 GLU CB C 47 30.403 30.403 29.587 0.816 19755 270 1 . 1 1 47 47 GLU H H 47 7.608 7.608 7.992 -0.384 19755 271 1 . 1 1 48 48 VAL N N 48 115.277 115.277 113.751 1.526 19755 272 1 . 1 1 48 48 VAL HA H 48 4.105 4.105 4.303 -0.198 19755 273 1 . 1 1 48 48 VAL CA C 48 62.377 62.377 62.358 0.019 19755 274 1 . 1 1 48 48 VAL CB C 48 33.866 33.866 32.553 1.313 19755 275 1 . 1 1 48 48 VAL H H 48 7.508 7.508 7.628 -0.120 19755 276 1 . 1 1 49 49 HIS N N 49 121.222 121.222 122.260 -1.038 19755 277 1 . 1 1 49 49 HIS HA H 49 4.611 4.611 4.195 0.416 19755 278 1 . 1 1 49 49 HIS CA C 49 58.000 58.000 60.554 -2.554 19755 279 1 . 1 1 49 49 HIS CB C 49 29.529 29.529 30.177 -0.648 19755 280 1 . 1 1 49 49 HIS H H 49 8.099 8.099 7.906 0.193 19755 281 1 . 1 1 50 50 GLU HA H 50 4.222 4.222 4.279 -0.057 19755 282 1 . 1 1 50 50 GLU CA C 50 57.629 57.629 58.524 -0.895 19755 283 1 . 1 1 50 50 GLU CB C 50 30.423 30.423 29.282 1.141 19755 284 1 . 1 1 51 51 GLU N N 51 119.589 119.589 116.967 2.622 19755 285 1 . 1 1 51 51 GLU HA H 51 4.234 4.234 4.323 -0.089 19755 286 1 . 1 1 51 51 GLU C C 51 176.279 176.279 177.184 -0.904 19755 287 1 . 1 1 51 51 GLU CA C 51 56.547 56.547 57.225 -0.678 19755 288 1 . 1 1 51 51 GLU CB C 51 30.581 30.581 30.516 0.065 19755 289 1 . 1 1 51 51 GLU H H 51 8.121 8.121 8.118 0.003 19755 290 1 . 1 1 52 52 GLU N N 52 122.410 122.410 118.649 3.762 19755 291 1 . 1 1 52 52 GLU HA H 52 4.310 4.310 4.141 0.169 19755 292 1 . 1 1 52 52 GLU C C 52 176.127 176.127 177.907 -1.780 19755 293 1 . 1 1 52 52 GLU CA C 52 56.508 56.508 57.528 -1.020 19755 294 1 . 1 1 52 52 GLU CB C 52 30.565 30.565 30.359 0.206 19755 295 1 . 1 1 52 52 GLU H H 52 8.412 8.412 8.047 0.365 19755 296 1 . 1 1 53 53 GLU N N 53 121.407 121.407 119.891 1.516 19755 297 1 . 1 1 53 53 GLU HA H 53 4.294 4.294 3.876 0.418 19755 298 1 . 1 1 53 53 GLU C C 53 176.242 176.242 177.650 -1.408 19755 299 1 . 1 1 53 53 GLU CA C 53 56.607 56.607 58.761 -2.154 19755 300 1 . 1 1 53 53 GLU CB C 53 30.439 30.439 28.768 1.671 19755 301 1 . 1 1 53 53 GLU H H 53 8.361 8.361 8.040 0.321 19755 302 1 . 1 1 54 54 PHE N N 54 121.128 121.128 115.564 5.564 19755 303 1 . 1 1 54 54 PHE HA H 54 4.594 4.594 4.665 -0.071 19755 304 1 . 1 1 54 54 PHE C C 54 176.021 176.021 175.079 0.942 19755 305 1 . 1 1 54 54 PHE CA C 54 57.554 57.554 57.149 0.405 19755 306 1 . 1 1 54 54 PHE CB C 54 40.192 40.192 39.313 0.879 19755 307 1 . 1 1 54 54 PHE H H 54 8.147 8.147 7.414 0.733 19755 308 1 . 1 1 55 55 ALA N N 55 126.124 126.124 121.195 4.929 19755 309 1 . 1 1 55 55 ALA HA H 55 4.421 4.421 4.586 -0.165 19755 310 1 . 1 1 55 55 ALA C C 55 177.391 177.391 176.775 0.616 19755 311 1 . 1 1 55 55 ALA CA C 55 52.373 52.373 52.161 0.212 19755 312 1 . 1 1 55 55 ALA CB C 55 19.512 19.512 20.739 -1.227 19755 313 1 . 1 1 55 55 ALA H H 55 8.124 8.124 8.060 0.064 19755 314 1 . 1 1 56 56 VAL N N 56 119.019 119.019 120.176 -1.156 19755 315 1 . 1 1 56 56 VAL HA H 56 4.133 4.133 4.057 0.076 19755 316 1 . 1 1 56 56 VAL C C 56 176.128 176.128 175.221 0.907 19755 317 1 . 1 1 56 56 VAL CA C 56 62.306 62.306 62.875 -0.569 19755 318 1 . 1 1 56 56 VAL CB C 56 33.274 33.274 30.449 2.825 19755 319 1 . 1 1 56 56 VAL H H 56 7.958 7.958 7.932 0.026 19755 320 1 . 1 1 57 57 GLU N N 57 124.588 124.588 122.437 2.151 19755 321 1 . 1 1 57 57 GLU HA H 57 4.495 4.495 4.419 0.076 19755 322 1 . 1 1 57 57 GLU C C 57 176.082 176.082 175.978 0.104 19755 323 1 . 1 1 57 57 GLU CA C 57 56.056 56.056 56.337 -0.281 19755 324 1 . 1 1 57 57 GLU CB C 57 31.303 31.303 29.830 1.473 19755 325 1 . 1 1 57 57 GLU H H 57 8.413 8.413 8.301 0.112 19755 326 1 . 1 1 58 58 GLY N N 58 110.794 110.794 109.288 1.506 19755 327 1 . 1 1 58 58 GLY C C 58 170.660 170.660 172.318 -1.658 19755 328 1 . 1 1 58 58 GLY CA C 58 44.857 44.857 44.299 0.558 19755 329 1 . 1 1 58 58 GLY H H 58 8.040 8.040 7.831 0.209 19755 330 1 . 1 1 59 59 PRO HA H 59 4.431 4.431 4.454 -0.023 19755 331 1 . 1 1 59 59 PRO CA C 59 63.088 63.088 62.568 0.520 19755 332 1 . 1 1 59 59 PRO CB C 59 32.474 32.474 32.751 -0.277 19755 333 1 . 1 1 60 60 LEU N N 60 120.609 120.609 119.362 1.247 19755 334 1 . 1 1 60 60 LEU C C 60 176.392 176.392 175.282 1.110 19755 335 1 . 1 1 60 60 LEU CA C 60 53.924 53.924 54.319 -0.395 19755 336 1 . 1 1 60 60 LEU CB C 60 45.038 45.038 44.970 0.068 19755 337 1 . 1 1 60 60 LEU H H 60 8.367 8.367 7.984 0.383 19755 338 1 . 1 1 61 61 TRP N N 61 124.050 124.050 123.927 0.123 19755 339 1 . 1 1 61 61 TRP HA H 61 4.961 4.961 4.856 0.106 19755 340 1 . 1 1 61 61 TRP CA C 61 56.133 56.133 56.802 -0.669 19755 341 1 . 1 1 61 61 TRP CB C 61 30.866 30.866 33.238 -2.372 19755 342 1 . 1 1 61 61 TRP H H 61 9.101 9.101 8.292 0.809 19755 343 1 . 1 1 62 62 ILE N N 62 121.315 121.315 121.242 0.073 19755 344 1 . 1 1 62 62 ILE C C 62 174.576 174.576 174.714 -0.138 19755 345 1 . 1 1 62 62 ILE CA C 62 60.556 60.556 59.500 1.056 19755 346 1 . 1 1 62 62 ILE CB C 62 40.639 40.639 41.133 -0.494 19755 347 1 . 1 1 62 62 ILE H H 62 7.863 7.863 8.469 -0.606 19755 348 1 . 1 1 63 63 GLN N N 63 127.300 127.300 125.287 2.013 19755 349 1 . 1 1 63 63 GLN HA H 63 4.534 4.534 4.848 -0.314 19755 350 1 . 1 1 63 63 GLN C C 63 173.768 173.768 173.560 0.208 19755 351 1 . 1 1 63 63 GLN CA C 63 54.409 54.409 54.769 -0.360 19755 352 1 . 1 1 63 63 GLN CB C 63 30.309 30.309 32.988 -2.680 19755 353 1 . 1 1 63 63 GLN H H 63 8.881 8.881 9.144 -0.263 19755 354 1 . 1 1 64 64 VAL N N 64 123.414 123.414 121.583 1.831 19755 355 1 . 1 1 64 64 VAL HA H 64 4.677 4.677 4.875 -0.198 19755 356 1 . 1 1 64 64 VAL C C 64 174.737 174.737 174.066 0.671 19755 357 1 . 1 1 64 64 VAL CA C 64 60.965 60.965 60.527 0.438 19755 358 1 . 1 1 64 64 VAL CB C 64 34.420 34.420 34.987 -0.567 19755 359 1 . 1 1 64 64 VAL H H 64 8.330 8.330 8.416 -0.086 19755 360 1 . 1 1 65 65 GLN N N 65 125.152 125.152 123.859 1.293 19755 361 1 . 1 1 65 65 GLN HA H 65 4.751 4.751 4.682 0.069 19755 362 1 . 1 1 65 65 GLN C C 65 174.043 174.043 173.845 0.198 19755 363 1 . 1 1 65 65 GLN CA C 65 54.421 54.421 53.843 0.578 19755 364 1 . 1 1 65 65 GLN CB C 65 31.956 31.956 32.733 -0.777 19755 365 1 . 1 1 65 65 GLN H H 65 8.938 8.938 8.892 0.046 19755 366 1 . 1 1 66 66 ALA N N 66 127.534 127.534 124.494 3.040 19755 367 1 . 1 1 66 66 ALA HA H 66 4.636 4.636 4.826 -0.190 19755 368 1 . 1 1 66 66 ALA C C 66 176.740 176.740 176.292 0.448 19755 369 1 . 1 1 66 66 ALA CA C 66 52.801 52.801 51.371 1.430 19755 370 1 . 1 1 66 66 ALA CB C 66 19.346 19.346 20.203 -0.857 19755 371 1 . 1 1 66 66 ALA H H 66 8.808 8.808 8.604 0.204 19755 372 1 . 1 1 67 67 LEU N N 67 124.609 124.609 122.829 1.780 19755 373 1 . 1 1 67 67 LEU HA H 67 4.785 4.785 4.763 0.022 19755 374 1 . 1 1 67 67 LEU C C 67 177.190 177.190 178.064 -0.874 19755 375 1 . 1 1 67 67 LEU CA C 67 53.585 53.585 53.892 -0.307 19755 376 1 . 1 1 67 67 LEU CB C 67 43.846 43.846 44.443 -0.596 19755 377 1 . 1 1 67 67 LEU H H 67 8.541 8.541 8.802 -0.261 19755 378 1 . 1 1 68 68 ASP N N 68 120.713 120.713 120.190 0.523 19755 379 1 . 1 1 68 68 ASP HA H 68 4.430 4.430 4.472 -0.042 19755 380 1 . 1 1 68 68 ASP C C 68 177.319 177.319 176.656 0.663 19755 381 1 . 1 1 68 68 ASP CA C 68 58.090 58.090 56.619 1.471 19755 382 1 . 1 1 68 68 ASP CB C 68 40.915 40.915 41.142 -0.226 19755 383 1 . 1 1 68 68 ASP H H 68 8.539 8.539 8.725 -0.186 19755 384 1 . 1 1 69 69 LYS HA H 69 4.602 4.602 4.388 0.214 19755 385 1 . 1 1 69 69 LYS C C 69 176.282 176.282 174.324 1.958 19755 386 1 . 1 1 69 69 LYS CA C 69 55.817 55.817 54.844 0.973 19755 387 1 . 1 1 69 69 LYS CB C 69 33.563 33.563 32.431 1.132 19755 388 1 . 1 1 70 70 GLY N N 70 110.325 110.325 105.951 4.374 19755 389 1 . 1 1 70 70 GLY C C 70 169.572 169.572 171.376 -1.804 19755 390 1 . 1 1 70 70 GLY CA C 70 45.365 45.365 45.418 -0.053 19755 391 1 . 1 1 70 70 GLY H H 70 6.977 6.977 7.061 -0.084 19755 392 1 . 1 1 71 71 LEU N N 71 116.716 116.716 118.886 -2.170 19755 393 1 . 1 1 71 71 LEU HA H 71 5.016 5.016 5.146 -0.130 19755 394 1 . 1 1 71 71 LEU C C 71 174.299 174.299 175.150 -0.851 19755 395 1 . 1 1 71 71 LEU CA C 71 53.057 53.057 54.279 -1.222 19755 396 1 . 1 1 71 71 LEU CB C 71 45.892 45.892 46.826 -0.934 19755 397 1 . 1 1 71 71 LEU H H 71 8.032 8.032 8.515 -0.483 19755 398 1 . 1 1 72 72 GLU N N 72 120.507 120.507 121.714 -1.207 19755 399 1 . 1 1 72 72 GLU HA H 72 4.966 4.966 5.049 -0.083 19755 400 1 . 1 1 72 72 GLU C C 72 174.588 174.588 175.421 -0.833 19755 401 1 . 1 1 72 72 GLU CA C 72 55.034 55.034 55.775 -0.741 19755 402 1 . 1 1 72 72 GLU CB C 72 33.392 33.392 31.917 1.475 19755 403 1 . 1 1 72 72 GLU H H 72 8.739 8.739 8.591 0.148 19755 404 1 . 1 1 73 73 ILE N N 73 127.226 127.226 123.653 3.573 19755 405 1 . 1 1 73 73 ILE HA H 73 4.526 4.526 4.507 0.019 19755 406 1 . 1 1 73 73 ILE C C 73 173.786 173.786 174.399 -0.613 19755 407 1 . 1 1 73 73 ILE CA C 73 60.428 60.428 59.614 0.814 19755 408 1 . 1 1 73 73 ILE CB C 73 39.105 39.105 39.536 -0.431 19755 409 1 . 1 1 73 73 ILE H H 73 8.755 8.755 8.745 0.010 19755 410 1 . 1 1 74 74 ILE N N 74 126.107 126.107 127.869 -1.762 19755 411 1 . 1 1 74 74 ILE HA H 74 4.666 4.666 4.614 0.052 19755 412 1 . 1 1 74 74 ILE C C 74 175.304 175.304 174.784 0.520 19755 413 1 . 1 1 74 74 ILE CA C 74 60.808 60.808 59.600 1.208 19755 414 1 . 1 1 74 74 ILE CB C 74 40.432 40.432 40.378 0.054 19755 415 1 . 1 1 74 74 ILE H H 74 8.691 8.691 8.964 -0.273 19755 416 1 . 1 1 75 75 VAL N N 75 128.967 128.967 123.391 5.576 19755 417 1 . 1 1 75 75 VAL HA H 75 4.605 4.605 5.242 -0.637 19755 418 1 . 1 1 75 75 VAL C C 75 174.187 174.187 174.739 -0.552 19755 419 1 . 1 1 75 75 VAL CA C 75 61.420 61.420 60.039 1.381 19755 420 1 . 1 1 75 75 VAL CB C 75 33.645 33.645 35.034 -1.389 19755 421 1 . 1 1 75 75 VAL H H 75 9.178 9.178 9.226 -0.048 19755 422 1 . 1 1 76 76 THR HA H 76 5.743 5.743 5.025 0.718 19755 423 1 . 1 1 76 76 THR CA C 76 59.957 59.957 59.498 0.459 19755 424 1 . 1 1 76 76 THR CB C 76 71.833 71.833 71.918 -0.085 19755 425 1 . 1 1 77 77 LYS N N 77 124.204 124.204 120.419 3.785 19755 426 1 . 1 1 77 77 LYS HA H 77 4.588 4.588 4.910 -0.322 19755 427 1 . 1 1 77 77 LYS CA C 77 55.751 55.751 54.966 0.785 19755 428 1 . 1 1 77 77 LYS CB C 77 33.947 33.947 35.926 -1.979 19755 429 1 . 1 1 77 77 LYS H H 77 8.688 8.688 8.428 0.260 19755 430 1 . 1 1 78 78 ALA N N 78 125.102 125.102 123.119 1.983 19755 431 1 . 1 1 78 78 ALA HA H 78 3.976 3.976 4.153 -0.177 19755 432 1 . 1 1 78 78 ALA C C 78 176.776 176.776 177.191 -0.415 19755 433 1 . 1 1 78 78 ALA CA C 78 52.431 52.431 52.684 -0.253 19755 434 1 . 1 1 78 78 ALA CB C 78 19.542 19.542 19.411 0.131 19755 435 1 . 1 1 78 78 ALA H H 78 8.137 8.137 8.531 -0.394 19755 436 1 . 1 1 79 79 GLN HA H 79 4.085 4.085 3.887 0.198 19755 437 1 . 1 1 79 79 GLN CA C 79 55.540 55.540 55.683 -0.143 19755 438 1 . 1 1 79 79 GLN CB C 79 29.617 29.617 29.358 0.259 19755 439 1 . 1 1 80 80 LEU HA H 80 4.295 4.295 4.337 -0.042 19755 440 1 . 1 1 80 80 LEU CA C 80 55.034 55.034 55.410 -0.376 19755 441 1 . 1 1 80 80 LEU CB C 80 42.320 42.320 42.612 -0.292 19755 442 1 . 1 1 81 81 SER N N 81 116.580 116.580 115.387 1.193 19755 443 1 . 1 1 81 81 SER HA H 81 4.291 4.291 4.345 -0.054 19755 444 1 . 1 1 81 81 SER C C 81 174.770 174.770 175.209 -0.440 19755 445 1 . 1 1 81 81 SER CA C 81 58.674 58.674 59.024 -0.350 19755 446 1 . 1 1 81 81 SER CB C 81 63.931 63.931 62.776 1.155 19755 447 1 . 1 1 81 81 SER H H 81 8.214 8.214 8.343 -0.129 19755 448 1 . 1 1 82 82 LYS N N 82 122.968 122.968 121.667 1.301 19755 449 1 . 1 1 82 82 LYS HA H 82 4.283 4.283 4.043 0.240 19755 450 1 . 1 1 82 82 LYS C C 82 176.222 176.222 177.137 -0.914 19755 451 1 . 1 1 82 82 LYS CA C 82 56.542 56.542 58.623 -2.082 19755 452 1 . 1 1 82 82 LYS CB C 82 32.941 32.941 32.461 0.481 19755 453 1 . 1 1 82 82 LYS H H 82 8.255 8.255 7.969 0.286 19755 454 1 . 1 1 83 83 ASP N N 83 120.305 120.305 116.938 3.367 19755 455 1 . 1 1 83 83 ASP HA H 83 4.546 4.546 4.637 -0.091 19755 456 1 . 1 1 83 83 ASP C C 83 176.527 176.527 175.561 0.966 19755 457 1 . 1 1 83 83 ASP CA C 83 54.864 54.864 54.528 0.336 19755 458 1 . 1 1 83 83 ASP CB C 83 41.156 41.156 41.494 -0.338 19755 459 1 . 1 1 83 83 ASP H H 83 8.158 8.158 8.011 0.147 19755 460 1 . 1 1 84 84 LEU N N 84 121.499 121.499 121.181 0.318 19755 461 1 . 1 1 84 84 LEU HA H 84 4.183 4.183 4.454 -0.271 19755 462 1 . 1 1 84 84 LEU C C 84 177.585 177.585 176.984 0.601 19755 463 1 . 1 1 84 84 LEU CA C 84 56.042 56.042 56.122 -0.080 19755 464 1 . 1 1 84 84 LEU CB C 84 42.379 42.379 43.486 -1.107 19755 465 1 . 1 1 84 84 LEU H H 84 7.955 7.955 7.977 -0.022 19755 466 1 . 1 1 85 85 ASP N N 85 119.668 119.668 120.003 -0.335 19755 467 1 . 1 1 85 85 ASP HA H 85 4.500 4.500 4.478 0.022 19755 468 1 . 1 1 85 85 ASP C C 85 176.445 176.445 176.788 -0.343 19755 469 1 . 1 1 85 85 ASP CA C 85 55.143 55.143 55.762 -0.619 19755 470 1 . 1 1 85 85 ASP CB C 85 41.116 41.116 41.409 -0.293 19755 471 1 . 1 1 85 85 ASP H H 85 8.207 8.207 8.334 -0.127 19755 472 1 . 1 1 86 86 LYS N N 86 119.760 119.760 119.315 0.445 19755 473 1 . 1 1 86 86 LYS HA H 86 4.253 4.253 4.340 -0.087 19755 474 1 . 1 1 86 86 LYS C C 86 176.336 176.336 176.093 0.243 19755 475 1 . 1 1 86 86 LYS CA C 86 56.519 56.519 55.782 0.737 19755 476 1 . 1 1 86 86 LYS CB C 86 33.072 33.072 32.759 0.313 19755 477 1 . 1 1 86 86 LYS H H 86 7.843 7.843 8.119 -0.276 19755 478 1 . 1 1 87 87 LEU N N 87 122.086 122.086 121.308 0.778 19755 479 1 . 1 1 87 87 LEU HA H 87 4.309 4.309 4.400 -0.091 19755 480 1 . 1 1 87 87 LEU C C 87 176.952 176.952 176.719 0.233 19755 481 1 . 1 1 87 87 LEU CA C 87 55.369 55.369 54.951 0.418 19755 482 1 . 1 1 87 87 LEU CB C 87 42.407 42.407 42.673 -0.266 19755 483 1 . 1 1 87 87 LEU H H 87 8.008 8.008 8.078 -0.070 19755 484 1 . 1 1 88 88 VAL N N 88 122.409 122.409 118.691 3.718 19755 485 1 . 1 1 88 88 VAL HA H 88 4.374 4.374 4.603 -0.229 19755 486 1 . 1 1 88 88 VAL C C 88 174.225 174.225 174.246 -0.021 19755 487 1 . 1 1 88 88 VAL CA C 88 59.992 59.992 59.365 0.627 19755 488 1 . 1 1 88 88 VAL CB C 88 32.946 32.946 32.229 0.717 19755 489 1 . 1 1 88 88 VAL H H 88 7.919 7.919 8.146 -0.228 19755 490 1 . 1 1 89 89 PRO HA H 89 4.370 4.370 4.577 -0.207 19755 491 1 . 1 1 89 89 PRO C C 89 176.035 176.035 176.464 -0.429 19755 492 1 . 1 1 89 89 PRO CA C 89 63.592 63.592 63.005 0.587 19755 493 1 . 1 1 89 89 PRO CB C 89 32.218 32.218 31.911 0.307 19755 stop_ save_