data_19513 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19513 _Entry.PDB_ID 2ME2 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 19513 _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 1 658 658 LYS HA H 658 4.287 4.287 4.541 -0.254 19513 2 1 1 . 1 1 658 658 LYS C C 658 175.629 175.629 175.261 0.368 19513 3 1 1 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.084 0.562 19513 4 1 1 . 1 1 658 658 LYS CB C 658 32.996 32.996 32.676 0.320 19513 5 1 1 . 1 1 659 659 ASP N N 659 121.467 121.467 121.286 0.181 19513 6 1 1 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.713 -0.115 19513 7 1 1 . 1 1 659 659 ASP C C 659 176.474 176.474 176.547 -0.073 19513 8 1 1 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.757 0.464 19513 9 1 1 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.946 -0.617 19513 10 1 1 . 1 1 659 659 ASP H H 659 8.348 8.348 8.029 0.319 19513 11 1 1 . 1 1 660 660 LEU N N 660 123.085 123.085 120.348 2.737 19513 12 1 1 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.440 -0.226 19513 13 1 1 . 1 1 660 660 LEU C C 660 177.141 177.141 179.011 -1.870 19513 14 1 1 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.759 -0.259 19513 15 1 1 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.280 0.226 19513 16 1 1 . 1 1 660 660 LEU H H 660 8.501 8.501 8.217 0.284 19513 17 1 1 . 1 1 661 661 LEU N N 661 118.555 118.555 120.951 -2.396 19513 18 1 1 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.263 0.097 19513 19 1 1 . 1 1 661 661 LEU C C 661 176.318 176.318 177.402 -1.084 19513 20 1 1 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.760 -1.916 19513 21 1 1 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.514 0.311 19513 22 1 1 . 1 1 661 661 LEU H H 661 8.130 8.130 7.962 0.168 19513 23 1 1 . 1 1 662 662 ALA N N 662 122.853 122.853 120.824 2.029 19513 24 1 1 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.238 0.177 19513 25 1 1 . 1 1 662 662 ALA C C 662 177.941 177.941 178.745 -0.804 19513 26 1 1 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.646 -0.502 19513 27 1 1 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.673 1.673 19513 28 1 1 . 1 1 662 662 ALA H H 662 7.864 7.864 8.222 -0.358 19513 29 1 1 . 1 1 663 663 LEU N N 663 121.303 121.303 125.720 -4.417 19513 30 1 1 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.438 -0.239 19513 31 1 1 . 1 1 663 663 LEU C C 663 177.963 177.963 177.706 0.257 19513 32 1 1 . 1 1 663 663 LEU CA C 663 56.639 56.639 57.047 -0.408 19513 33 1 1 . 1 1 663 663 LEU CB C 663 42.020 42.020 42.028 -0.007 19513 34 1 1 . 1 1 663 663 LEU H H 663 8.314 8.314 8.388 -0.074 19513 35 1 1 . 1 1 664 664 ASP N N 664 118.224 118.224 118.450 -0.226 19513 36 1 1 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.527 -0.086 19513 37 1 1 . 1 1 664 664 ASP C C 664 177.541 177.541 178.148 -0.607 19513 38 1 1 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.166 -0.849 19513 39 1 1 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.218 0.695 19513 40 1 1 . 1 1 664 664 ASP H H 664 8.448 8.448 8.647 -0.199 19513 41 1 1 . 1 1 665 665 SER N N 665 113.947 113.947 113.926 0.021 19513 42 1 1 . 1 1 665 665 SER HA H 665 4.361 4.361 4.555 -0.194 19513 43 1 1 . 1 1 665 665 SER C C 665 175.562 175.562 175.050 0.512 19513 44 1 1 . 1 1 665 665 SER CA C 665 60.048 60.048 59.872 0.176 19513 45 1 1 . 1 1 665 665 SER CB C 665 63.503 63.503 63.770 -0.267 19513 46 1 1 . 1 1 665 665 SER H H 665 7.921 7.921 7.861 0.060 19513 47 1 1 . 1 1 666 666 TRP N N 666 122.464 122.464 123.526 -1.062 19513 48 1 1 . 1 1 666 666 TRP HA H 666 4.508 4.508 4.161 0.347 19513 49 1 1 . 1 1 666 666 TRP C C 666 177.118 177.118 177.423 -0.305 19513 50 1 1 . 1 1 666 666 TRP CA C 666 58.835 58.835 61.106 -2.271 19513 51 1 1 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.502 -0.240 19513 52 1 1 . 1 1 666 666 TRP H H 666 8.048 8.048 7.990 0.058 19513 53 1 1 . 1 1 667 667 LYS N N 667 118.273 118.273 119.066 -0.793 19513 54 1 1 . 1 1 667 667 LYS HA H 667 3.931 3.931 4.177 -0.246 19513 55 1 1 . 1 1 667 667 LYS C C 667 178.186 178.186 178.929 -0.743 19513 56 1 1 . 1 1 667 667 LYS CA C 667 59.464 59.464 60.292 -0.828 19513 57 1 1 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.931 0.413 19513 58 1 1 . 1 1 667 667 LYS H H 667 7.876 7.876 8.011 -0.135 19513 59 1 1 . 1 1 668 668 ASN N N 668 116.883 116.883 116.959 -0.076 19513 60 1 1 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.542 0.095 19513 61 1 1 . 1 1 668 668 ASN C C 668 176.763 176.763 177.526 -0.763 19513 62 1 1 . 1 1 668 668 ASN CA C 668 54.804 54.804 56.105 -1.301 19513 63 1 1 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.415 -0.171 19513 64 1 1 . 1 1 668 668 ASN H H 668 8.117 8.117 7.897 0.220 19513 65 1 1 . 1 1 669 669 LEU N N 669 121.093 121.093 121.258 -0.165 19513 66 1 1 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.021 -0.016 19513 67 1 1 . 1 1 669 669 LEU C C 669 177.519 177.519 177.604 -0.085 19513 68 1 1 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.140 0.723 19513 69 1 1 . 1 1 669 669 LEU CB C 669 42.226 42.226 40.937 1.289 19513 70 1 1 . 1 1 669 669 LEU H H 669 7.833 7.833 7.865 -0.032 19513 71 1 1 . 1 1 670 670 TRP N N 670 116.959 116.959 119.898 -2.939 19513 72 1 1 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.628 -0.043 19513 73 1 1 . 1 1 670 670 TRP C C 670 177.496 177.496 179.200 -1.704 19513 74 1 1 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.541 -0.623 19513 75 1 1 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.619 0.031 19513 76 1 1 . 1 1 670 670 TRP H H 670 7.864 7.864 8.628 -0.764 19513 77 1 1 . 1 1 671 671 SER N N 671 113.455 113.455 113.616 -0.161 19513 78 1 1 . 1 1 671 671 SER HA H 671 4.253 4.253 4.426 -0.172 19513 79 1 1 . 1 1 671 671 SER C C 671 175.562 175.562 175.743 -0.181 19513 80 1 1 . 1 1 671 671 SER CA C 671 60.643 60.643 60.443 0.200 19513 81 1 1 . 1 1 671 671 SER CB C 671 63.441 63.441 63.081 0.360 19513 82 1 1 . 1 1 671 671 SER H H 671 7.950 7.950 8.200 -0.250 19513 83 1 1 . 1 1 672 672 TRP N N 672 121.536 121.536 121.841 -0.305 19513 84 1 1 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.336 0.125 19513 85 1 1 . 1 1 672 672 TRP C C 672 176.785 176.785 175.991 0.794 19513 86 1 1 . 1 1 672 672 TRP CA C 672 59.160 59.160 59.744 -0.584 19513 87 1 1 . 1 1 672 672 TRP CB C 672 29.455 29.455 29.828 -0.373 19513 88 1 1 . 1 1 672 672 TRP H H 672 7.895 7.895 7.390 0.505 19513 89 1 1 . 1 1 673 673 PHE N N 673 118.414 118.414 119.492 -1.078 19513 90 1 1 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.619 -0.338 19513 91 1 1 . 1 1 673 673 PHE C C 673 175.473 175.473 175.391 0.082 19513 92 1 1 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.239 1.954 19513 93 1 1 . 1 1 673 673 PHE CB C 673 39.375 39.375 38.173 1.202 19513 94 1 1 . 1 1 673 673 PHE H H 673 7.942 7.942 7.565 0.377 19513 95 1 1 . 1 1 674 674 SER N N 674 114.868 114.868 119.944 -5.076 19513 96 1 1 . 1 1 674 674 SER HA H 674 4.362 4.362 4.654 -0.292 19513 97 1 1 . 1 1 674 674 SER C C 674 175.273 175.273 175.532 -0.259 19513 98 1 1 . 1 1 674 674 SER CA C 674 58.612 58.612 56.859 1.753 19513 99 1 1 . 1 1 674 674 SER CB C 674 63.602 63.602 62.440 1.162 19513 100 1 1 . 1 1 674 674 SER H H 674 7.698 7.698 8.302 -0.604 19513 101 1 1 . 1 1 675 675 ILE N N 675 121.205 121.205 125.156 -3.951 19513 102 1 1 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.168 -0.199 19513 103 1 1 . 1 1 675 675 ILE C C 675 176.696 176.696 177.439 -0.743 19513 104 1 1 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.526 -0.667 19513 105 1 1 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.026 1.390 19513 106 1 1 . 1 1 675 675 ILE H H 675 8.067 8.067 7.644 0.423 19513 107 1 1 . 1 1 676 676 THR N N 676 113.871 113.871 114.029 -0.158 19513 108 1 1 . 1 1 676 676 THR HA H 676 3.934 3.934 4.013 -0.079 19513 109 1 1 . 1 1 676 676 THR C C 676 175.384 175.384 176.698 -1.314 19513 110 1 1 . 1 1 676 676 THR CA C 676 64.588 64.588 66.127 -1.539 19513 111 1 1 . 1 1 676 676 THR CB C 676 68.930 68.930 68.547 0.383 19513 112 1 1 . 1 1 676 676 THR H H 676 7.819 7.819 8.634 -0.815 19513 113 1 1 . 1 1 677 677 ASN N N 677 119.341 119.341 119.368 -0.027 19513 114 1 1 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.645 -0.078 19513 115 1 1 . 1 1 677 677 ASN C C 677 175.940 175.940 177.023 -1.083 19513 116 1 1 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.272 -0.718 19513 117 1 1 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.654 -0.533 19513 118 1 1 . 1 1 677 677 ASN H H 677 7.989 7.989 7.996 -0.007 19513 119 1 1 . 1 1 678 678 TRP N N 678 119.377 119.377 119.835 -0.458 19513 120 1 1 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.626 -0.035 19513 121 1 1 . 1 1 678 678 TRP C C 678 176.785 176.785 178.068 -1.283 19513 122 1 1 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.107 -0.411 19513 123 1 1 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.522 0.122 19513 124 1 1 . 1 1 678 678 TRP H H 678 7.792 7.792 8.176 -0.384 19513 125 1 1 . 1 1 679 679 LEU N N 679 117.934 117.934 120.095 -2.161 19513 126 1 1 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.167 0.827 19513 127 1 1 . 1 1 679 679 LEU C C 679 177.430 177.430 177.886 -0.456 19513 128 1 1 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.562 0.188 19513 129 1 1 . 1 1 679 679 LEU CB C 679 41.760 41.760 40.891 0.869 19513 130 1 1 . 1 1 679 679 LEU H H 679 7.752 7.752 8.397 -0.645 19513 131 1 1 . 1 1 680 680 TRP N N 680 117.268 117.268 119.485 -2.217 19513 132 1 1 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.287 0.059 19513 133 1 1 . 1 1 680 680 TRP C C 680 176.340 176.340 177.711 -1.371 19513 134 1 1 . 1 1 680 680 TRP CA C 680 58.835 58.835 61.465 -2.630 19513 135 1 1 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.420 -0.232 19513 136 1 1 . 1 1 680 680 TRP H H 680 7.543 7.543 7.547 -0.004 19513 137 1 1 . 1 1 681 681 TYR N N 681 116.283 116.283 119.427 -3.144 19513 138 1 1 . 1 1 681 681 TYR HA H 681 4.170 4.170 4.350 -0.180 19513 139 1 1 . 1 1 681 681 TYR C C 681 175.607 175.607 176.370 -0.763 19513 140 1 1 . 1 1 681 681 TYR CA C 681 59.670 59.670 60.384 -0.714 19513 141 1 1 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.984 0.133 19513 142 1 1 . 1 1 681 681 TYR H H 681 7.473 7.473 7.705 -0.232 19513 143 1 1 . 1 1 682 682 ILE N N 682 115.196 115.196 113.064 2.132 19513 144 1 1 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.133 0.052 19513 145 1 1 . 1 1 682 682 ILE C C 682 174.317 174.317 176.199 -1.882 19513 146 1 1 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.944 0.260 19513 147 1 1 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.244 -0.349 19513 148 1 1 . 1 1 682 682 ILE H H 682 7.483 7.483 7.193 0.290 19513 149 1 2 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.443 -0.156 19513 150 1 2 . 1 1 658 658 LYS C C 658 175.629 175.629 175.262 0.367 19513 151 1 2 . 1 1 658 658 LYS CA C 658 56.645 56.645 55.926 0.719 19513 152 1 2 . 1 1 658 658 LYS CB C 658 32.996 32.996 32.474 0.522 19513 153 1 2 . 1 1 659 659 ASP N N 659 121.467 121.467 119.898 1.569 19513 154 1 2 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.670 -0.072 19513 155 1 2 . 1 1 659 659 ASP C C 659 176.474 176.474 176.903 -0.429 19513 156 1 2 . 1 1 659 659 ASP CA C 659 54.221 54.221 54.077 0.144 19513 157 1 2 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.865 -0.536 19513 158 1 2 . 1 1 659 659 ASP H H 659 8.348 8.348 8.072 0.276 19513 159 1 2 . 1 1 660 660 LEU N N 660 123.085 123.085 120.131 2.954 19513 160 1 2 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.477 -0.263 19513 161 1 2 . 1 1 660 660 LEU C C 660 177.141 177.141 178.921 -1.780 19513 162 1 2 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.903 -0.403 19513 163 1 2 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.190 0.316 19513 164 1 2 . 1 1 660 660 LEU H H 660 8.501 8.501 8.202 0.299 19513 165 1 2 . 1 1 661 661 LEU N N 661 118.555 118.555 120.929 -2.374 19513 166 1 2 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.249 0.111 19513 167 1 2 . 1 1 661 661 LEU C C 661 176.318 176.318 177.353 -1.035 19513 168 1 2 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.698 -1.854 19513 169 1 2 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.502 0.323 19513 170 1 2 . 1 1 661 661 LEU H H 661 8.130 8.130 7.903 0.227 19513 171 1 2 . 1 1 662 662 ALA N N 662 122.853 122.853 120.869 1.984 19513 172 1 2 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.214 0.201 19513 173 1 2 . 1 1 662 662 ALA C C 662 177.941 177.941 178.620 -0.679 19513 174 1 2 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.529 -0.385 19513 175 1 2 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.632 1.714 19513 176 1 2 . 1 1 662 662 ALA H H 662 7.864 7.864 8.194 -0.330 19513 177 1 2 . 1 1 663 663 LEU N N 663 121.303 121.303 125.568 -4.265 19513 178 1 2 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.278 -0.079 19513 179 1 2 . 1 1 663 663 LEU C C 663 177.963 177.963 177.601 0.362 19513 180 1 2 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.944 -0.305 19513 181 1 2 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.898 0.122 19513 182 1 2 . 1 1 663 663 LEU H H 663 8.314 8.314 8.303 0.011 19513 183 1 2 . 1 1 664 664 ASP N N 664 118.224 118.224 118.462 -0.238 19513 184 1 2 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.467 -0.026 19513 185 1 2 . 1 1 664 664 ASP C C 664 177.541 177.541 178.075 -0.534 19513 186 1 2 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.083 -0.765 19513 187 1 2 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.146 0.767 19513 188 1 2 . 1 1 664 664 ASP H H 664 8.448 8.448 8.586 -0.138 19513 189 1 2 . 1 1 665 665 SER N N 665 113.947 113.947 113.851 0.096 19513 190 1 2 . 1 1 665 665 SER HA H 665 4.361 4.361 4.487 -0.126 19513 191 1 2 . 1 1 665 665 SER C C 665 175.562 175.562 174.581 0.981 19513 192 1 2 . 1 1 665 665 SER CA C 665 60.048 60.048 60.010 0.038 19513 193 1 2 . 1 1 665 665 SER CB C 665 63.503 63.503 63.608 -0.105 19513 194 1 2 . 1 1 665 665 SER H H 665 7.921 7.921 7.838 0.083 19513 195 1 2 . 1 1 666 666 TRP N N 666 122.464 122.464 122.884 -0.420 19513 196 1 2 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.987 0.521 19513 197 1 2 . 1 1 666 666 TRP C C 666 177.118 177.118 177.370 -0.252 19513 198 1 2 . 1 1 666 666 TRP CA C 666 58.835 58.835 61.060 -2.225 19513 199 1 2 . 1 1 666 666 TRP CB C 666 29.262 29.262 28.986 0.276 19513 200 1 2 . 1 1 666 666 TRP H H 666 8.048 8.048 7.803 0.245 19513 201 1 2 . 1 1 667 667 LYS N N 667 118.273 118.273 118.644 -0.371 19513 202 1 2 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.887 0.044 19513 203 1 2 . 1 1 667 667 LYS C C 667 178.186 178.186 178.800 -0.614 19513 204 1 2 . 1 1 667 667 LYS CA C 667 59.464 59.464 60.097 -0.633 19513 205 1 2 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.811 0.533 19513 206 1 2 . 1 1 667 667 LYS H H 667 7.876 7.876 7.727 0.149 19513 207 1 2 . 1 1 668 668 ASN N N 668 116.883 116.883 117.381 -0.498 19513 208 1 2 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.536 0.101 19513 209 1 2 . 1 1 668 668 ASN C C 668 176.763 176.763 177.579 -0.816 19513 210 1 2 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.687 -0.883 19513 211 1 2 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.581 -0.337 19513 212 1 2 . 1 1 668 668 ASN H H 668 8.117 8.117 7.749 0.368 19513 213 1 2 . 1 1 669 669 LEU N N 669 121.093 121.093 121.776 -0.683 19513 214 1 2 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.093 -0.088 19513 215 1 2 . 1 1 669 669 LEU C C 669 177.519 177.519 177.721 -0.202 19513 216 1 2 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.404 0.459 19513 217 1 2 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.920 0.306 19513 218 1 2 . 1 1 669 669 LEU H H 669 7.833 7.833 7.815 0.018 19513 219 1 2 . 1 1 670 670 TRP N N 670 116.959 116.959 119.518 -2.559 19513 220 1 2 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.454 0.131 19513 221 1 2 . 1 1 670 670 TRP C C 670 177.496 177.496 178.421 -0.925 19513 222 1 2 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.386 -0.468 19513 223 1 2 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.757 -0.107 19513 224 1 2 . 1 1 670 670 TRP H H 670 7.864 7.864 8.440 -0.576 19513 225 1 2 . 1 1 671 671 SER N N 671 113.455 113.455 112.185 1.270 19513 226 1 2 . 1 1 671 671 SER HA H 671 4.253 4.253 4.362 -0.109 19513 227 1 2 . 1 1 671 671 SER C C 671 175.562 175.562 175.684 -0.122 19513 228 1 2 . 1 1 671 671 SER CA C 671 60.643 60.643 61.080 -0.437 19513 229 1 2 . 1 1 671 671 SER CB C 671 63.441 63.441 63.354 0.087 19513 230 1 2 . 1 1 671 671 SER H H 671 7.950 7.950 7.969 -0.019 19513 231 1 2 . 1 1 672 672 TRP N N 672 121.536 121.536 121.738 -0.202 19513 232 1 2 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.350 0.111 19513 233 1 2 . 1 1 672 672 TRP C C 672 176.785 176.785 177.530 -0.745 19513 234 1 2 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.169 -1.009 19513 235 1 2 . 1 1 672 672 TRP CB C 672 29.455 29.455 29.822 -0.367 19513 236 1 2 . 1 1 672 672 TRP H H 672 7.895 7.895 7.495 0.400 19513 237 1 2 . 1 1 673 673 PHE N N 673 118.414 118.414 118.822 -0.408 19513 238 1 2 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.688 -0.407 19513 239 1 2 . 1 1 673 673 PHE C C 673 175.473 175.473 176.606 -1.133 19513 240 1 2 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.868 1.325 19513 241 1 2 . 1 1 673 673 PHE CB C 673 39.375 39.375 38.464 0.911 19513 242 1 2 . 1 1 673 673 PHE H H 673 7.942 7.942 8.278 -0.336 19513 243 1 2 . 1 1 674 674 SER N N 674 114.868 114.868 123.569 -8.701 19513 244 1 2 . 1 1 674 674 SER HA H 674 4.362 4.362 4.615 -0.253 19513 245 1 2 . 1 1 674 674 SER C C 674 175.273 175.273 175.341 -0.068 19513 246 1 2 . 1 1 674 674 SER CA C 674 58.612 58.612 58.273 0.339 19513 247 1 2 . 1 1 674 674 SER CB C 674 63.602 63.602 62.205 1.397 19513 248 1 2 . 1 1 674 674 SER H H 674 7.698 7.698 8.922 -1.224 19513 249 1 2 . 1 1 675 675 ILE N N 675 121.205 121.205 124.203 -2.998 19513 250 1 2 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.133 -0.164 19513 251 1 2 . 1 1 675 675 ILE C C 675 176.696 176.696 177.305 -0.609 19513 252 1 2 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.373 -0.514 19513 253 1 2 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.194 1.222 19513 254 1 2 . 1 1 675 675 ILE H H 675 8.067 8.067 8.413 -0.346 19513 255 1 2 . 1 1 676 676 THR N N 676 113.871 113.871 114.492 -0.621 19513 256 1 2 . 1 1 676 676 THR HA H 676 3.934 3.934 3.919 0.015 19513 257 1 2 . 1 1 676 676 THR C C 676 175.384 175.384 176.624 -1.240 19513 258 1 2 . 1 1 676 676 THR CA C 676 64.588 64.588 66.239 -1.651 19513 259 1 2 . 1 1 676 676 THR CB C 676 68.930 68.930 68.344 0.586 19513 260 1 2 . 1 1 676 676 THR H H 676 7.819 7.819 8.616 -0.797 19513 261 1 2 . 1 1 677 677 ASN N N 677 119.341 119.341 118.985 0.356 19513 262 1 2 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.768 -0.201 19513 263 1 2 . 1 1 677 677 ASN C C 677 175.940 175.940 176.716 -0.776 19513 264 1 2 . 1 1 677 677 ASN CA C 677 54.554 54.554 56.122 -1.568 19513 265 1 2 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.390 -0.269 19513 266 1 2 . 1 1 677 677 ASN H H 677 7.989 7.989 7.960 0.029 19513 267 1 2 . 1 1 678 678 TRP N N 678 119.377 119.377 120.002 -0.625 19513 268 1 2 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.658 -0.067 19513 269 1 2 . 1 1 678 678 TRP C C 678 176.785 176.785 177.440 -0.655 19513 270 1 2 . 1 1 678 678 TRP CA C 678 58.696 58.696 58.762 -0.066 19513 271 1 2 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.904 -0.260 19513 272 1 2 . 1 1 678 678 TRP H H 678 7.792 7.792 8.288 -0.496 19513 273 1 2 . 1 1 679 679 LEU N N 679 117.934 117.934 120.278 -2.344 19513 274 1 2 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.233 0.761 19513 275 1 2 . 1 1 679 679 LEU C C 679 177.430 177.430 177.648 -0.218 19513 276 1 2 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.385 0.365 19513 277 1 2 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.413 0.347 19513 278 1 2 . 1 1 679 679 LEU H H 679 7.752 7.752 8.429 -0.677 19513 279 1 2 . 1 1 680 680 TRP N N 680 117.268 117.268 120.352 -3.084 19513 280 1 2 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.289 0.057 19513 281 1 2 . 1 1 680 680 TRP C C 680 176.340 176.340 176.477 -0.137 19513 282 1 2 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.629 -0.794 19513 283 1 2 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.143 0.045 19513 284 1 2 . 1 1 680 680 TRP H H 680 7.543 7.543 7.847 -0.304 19513 285 1 2 . 1 1 681 681 TYR N N 681 116.283 116.283 120.112 -3.829 19513 286 1 2 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.375 0.795 19513 287 1 2 . 1 1 681 681 TYR C C 681 175.607 175.607 175.751 -0.144 19513 288 1 2 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.752 -0.083 19513 289 1 2 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.989 0.128 19513 290 1 2 . 1 1 681 681 TYR H H 681 7.473 7.473 7.319 0.154 19513 291 1 2 . 1 1 682 682 ILE N N 682 115.196 115.196 112.276 2.920 19513 292 1 2 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.010 0.175 19513 293 1 2 . 1 1 682 682 ILE C C 682 174.317 174.317 176.505 -2.188 19513 294 1 2 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.984 0.220 19513 295 1 2 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.203 -0.308 19513 296 1 2 . 1 1 682 682 ILE H H 682 7.483 7.483 7.081 0.402 19513 297 1 3 . 1 1 658 658 LYS HA H 658 4.287 4.287 3.926 0.361 19513 298 1 3 . 1 1 658 658 LYS C C 658 175.629 175.629 175.355 0.274 19513 299 1 3 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.881 -0.236 19513 300 1 3 . 1 1 658 658 LYS CB C 658 32.996 32.996 31.495 1.501 19513 301 1 3 . 1 1 659 659 ASP N N 659 121.467 121.467 118.239 3.228 19513 302 1 3 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.608 -0.010 19513 303 1 3 . 1 1 659 659 ASP C C 659 176.474 176.474 176.490 -0.016 19513 304 1 3 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.811 0.410 19513 305 1 3 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.825 -0.496 19513 306 1 3 . 1 1 659 659 ASP H H 659 8.348 8.348 8.149 0.199 19513 307 1 3 . 1 1 660 660 LEU N N 660 123.085 123.085 120.270 2.815 19513 308 1 3 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.508 -0.294 19513 309 1 3 . 1 1 660 660 LEU C C 660 177.141 177.141 178.814 -1.673 19513 310 1 3 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.726 -0.226 19513 311 1 3 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.240 0.266 19513 312 1 3 . 1 1 660 660 LEU H H 660 8.501 8.501 8.192 0.309 19513 313 1 3 . 1 1 661 661 LEU N N 661 118.555 118.555 121.030 -2.475 19513 314 1 3 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.232 0.128 19513 315 1 3 . 1 1 661 661 LEU C C 661 176.318 176.318 177.348 -1.030 19513 316 1 3 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.703 -1.859 19513 317 1 3 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.501 0.324 19513 318 1 3 . 1 1 661 661 LEU H H 661 8.130 8.130 7.912 0.218 19513 319 1 3 . 1 1 662 662 ALA N N 662 122.853 122.853 120.839 2.014 19513 320 1 3 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.210 0.205 19513 321 1 3 . 1 1 662 662 ALA C C 662 177.941 177.941 178.523 -0.582 19513 322 1 3 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.436 -0.292 19513 323 1 3 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.635 1.711 19513 324 1 3 . 1 1 662 662 ALA H H 662 7.864 7.864 8.191 -0.327 19513 325 1 3 . 1 1 663 663 LEU N N 663 121.303 121.303 125.519 -4.216 19513 326 1 3 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.272 -0.073 19513 327 1 3 . 1 1 663 663 LEU C C 663 177.963 177.963 177.696 0.267 19513 328 1 3 . 1 1 663 663 LEU CA C 663 56.639 56.639 57.050 -0.411 19513 329 1 3 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.909 0.111 19513 330 1 3 . 1 1 663 663 LEU H H 663 8.314 8.314 8.260 0.054 19513 331 1 3 . 1 1 664 664 ASP N N 664 118.224 118.224 119.080 -0.856 19513 332 1 3 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.442 -0.001 19513 333 1 3 . 1 1 664 664 ASP C C 664 177.541 177.541 178.547 -1.006 19513 334 1 3 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.378 -1.061 19513 335 1 3 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.245 0.668 19513 336 1 3 . 1 1 664 664 ASP H H 664 8.448 8.448 8.742 -0.294 19513 337 1 3 . 1 1 665 665 SER N N 665 113.947 113.947 116.049 -2.102 19513 338 1 3 . 1 1 665 665 SER HA H 665 4.361 4.361 4.427 -0.066 19513 339 1 3 . 1 1 665 665 SER C C 665 175.562 175.562 175.526 0.036 19513 340 1 3 . 1 1 665 665 SER CA C 665 60.048 60.048 59.459 0.589 19513 341 1 3 . 1 1 665 665 SER CB C 665 63.503 63.503 63.360 0.143 19513 342 1 3 . 1 1 665 665 SER H H 665 7.921 7.921 7.820 0.101 19513 343 1 3 . 1 1 666 666 TRP N N 666 122.464 122.464 123.417 -0.953 19513 344 1 3 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.957 0.551 19513 345 1 3 . 1 1 666 666 TRP C C 666 177.118 177.118 177.077 0.041 19513 346 1 3 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.703 -1.867 19513 347 1 3 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.196 0.066 19513 348 1 3 . 1 1 666 666 TRP H H 666 8.048 8.048 7.808 0.240 19513 349 1 3 . 1 1 667 667 LYS N N 667 118.273 118.273 118.986 -0.713 19513 350 1 3 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.820 0.111 19513 351 1 3 . 1 1 667 667 LYS C C 667 178.186 178.186 178.617 -0.431 19513 352 1 3 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.677 -0.213 19513 353 1 3 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.401 0.943 19513 354 1 3 . 1 1 667 667 LYS H H 667 7.876 7.876 7.740 0.136 19513 355 1 3 . 1 1 668 668 ASN N N 668 116.883 116.883 118.014 -1.131 19513 356 1 3 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.557 0.080 19513 357 1 3 . 1 1 668 668 ASN C C 668 176.763 176.763 177.528 -0.765 19513 358 1 3 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.610 -0.806 19513 359 1 3 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.092 0.152 19513 360 1 3 . 1 1 668 668 ASN H H 668 8.117 8.117 7.785 0.332 19513 361 1 3 . 1 1 669 669 LEU N N 669 121.093 121.093 121.691 -0.598 19513 362 1 3 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.145 -0.140 19513 363 1 3 . 1 1 669 669 LEU C C 669 177.519 177.519 177.840 -0.321 19513 364 1 3 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.477 0.386 19513 365 1 3 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.874 0.352 19513 366 1 3 . 1 1 669 669 LEU H H 669 7.833 7.833 7.834 -0.001 19513 367 1 3 . 1 1 670 670 TRP N N 670 116.959 116.959 119.265 -2.306 19513 368 1 3 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.311 0.274 19513 369 1 3 . 1 1 670 670 TRP C C 670 177.496 177.496 179.030 -1.534 19513 370 1 3 . 1 1 670 670 TRP CA C 670 58.918 58.918 58.846 0.072 19513 371 1 3 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.611 0.039 19513 372 1 3 . 1 1 670 670 TRP H H 670 7.864 7.864 8.453 -0.589 19513 373 1 3 . 1 1 671 671 SER N N 671 113.455 113.455 114.532 -1.077 19513 374 1 3 . 1 1 671 671 SER HA H 671 4.253 4.253 4.427 -0.174 19513 375 1 3 . 1 1 671 671 SER C C 671 175.562 175.562 175.715 -0.153 19513 376 1 3 . 1 1 671 671 SER CA C 671 60.643 60.643 61.901 -1.258 19513 377 1 3 . 1 1 671 671 SER CB C 671 63.441 63.441 63.206 0.235 19513 378 1 3 . 1 1 671 671 SER H H 671 7.950 7.950 8.221 -0.271 19513 379 1 3 . 1 1 672 672 TRP N N 672 121.536 121.536 122.082 -0.546 19513 380 1 3 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.507 -0.046 19513 381 1 3 . 1 1 672 672 TRP C C 672 176.785 176.785 178.281 -1.496 19513 382 1 3 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.746 -1.586 19513 383 1 3 . 1 1 672 672 TRP CB C 672 29.455 29.455 29.878 -0.423 19513 384 1 3 . 1 1 672 672 TRP H H 672 7.895 7.895 7.826 0.069 19513 385 1 3 . 1 1 673 673 PHE N N 673 118.414 118.414 119.352 -0.938 19513 386 1 3 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.560 -0.279 19513 387 1 3 . 1 1 673 673 PHE C C 673 175.473 175.473 175.387 0.086 19513 388 1 3 . 1 1 673 673 PHE CA C 673 59.193 59.193 58.175 1.018 19513 389 1 3 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.146 2.229 19513 390 1 3 . 1 1 673 673 PHE H H 673 7.942 7.942 7.923 0.019 19513 391 1 3 . 1 1 674 674 SER N N 674 114.868 114.868 118.068 -3.200 19513 392 1 3 . 1 1 674 674 SER HA H 674 4.362 4.362 4.612 -0.250 19513 393 1 3 . 1 1 674 674 SER C C 674 175.273 175.273 175.388 -0.115 19513 394 1 3 . 1 1 674 674 SER CA C 674 58.612 58.612 57.573 1.039 19513 395 1 3 . 1 1 674 674 SER CB C 674 63.602 63.602 62.776 0.826 19513 396 1 3 . 1 1 674 674 SER H H 674 7.698 7.698 8.338 -0.640 19513 397 1 3 . 1 1 675 675 ILE N N 675 121.205 121.205 123.238 -2.033 19513 398 1 3 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.048 -0.079 19513 399 1 3 . 1 1 675 675 ILE C C 675 176.696 176.696 177.734 -1.038 19513 400 1 3 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.864 -1.005 19513 401 1 3 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.305 1.111 19513 402 1 3 . 1 1 675 675 ILE H H 675 8.067 8.067 7.381 0.686 19513 403 1 3 . 1 1 676 676 THR N N 676 113.871 113.871 113.458 0.413 19513 404 1 3 . 1 1 676 676 THR HA H 676 3.934 3.934 4.008 -0.074 19513 405 1 3 . 1 1 676 676 THR C C 676 175.384 175.384 176.517 -1.133 19513 406 1 3 . 1 1 676 676 THR CA C 676 64.588 64.588 66.096 -1.508 19513 407 1 3 . 1 1 676 676 THR CB C 676 68.930 68.930 68.772 0.158 19513 408 1 3 . 1 1 676 676 THR H H 676 7.819 7.819 8.607 -0.788 19513 409 1 3 . 1 1 677 677 ASN N N 677 119.341 119.341 118.454 0.887 19513 410 1 3 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.632 -0.065 19513 411 1 3 . 1 1 677 677 ASN C C 677 175.940 175.940 176.964 -1.024 19513 412 1 3 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.517 -0.963 19513 413 1 3 . 1 1 677 677 ASN CB C 677 38.121 38.121 39.108 -0.987 19513 414 1 3 . 1 1 677 677 ASN H H 677 7.989 7.989 8.029 -0.040 19513 415 1 3 . 1 1 678 678 TRP N N 678 119.377 119.377 120.150 -0.773 19513 416 1 3 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.593 -0.002 19513 417 1 3 . 1 1 678 678 TRP C C 678 176.785 176.785 178.066 -1.281 19513 418 1 3 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.314 -0.618 19513 419 1 3 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.435 0.209 19513 420 1 3 . 1 1 678 678 TRP H H 678 7.792 7.792 8.164 -0.372 19513 421 1 3 . 1 1 679 679 LEU N N 679 117.934 117.934 120.017 -2.083 19513 422 1 3 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.162 0.832 19513 423 1 3 . 1 1 679 679 LEU C C 679 177.430 177.430 177.903 -0.473 19513 424 1 3 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.469 0.281 19513 425 1 3 . 1 1 679 679 LEU CB C 679 41.760 41.760 40.868 0.892 19513 426 1 3 . 1 1 679 679 LEU H H 679 7.752 7.752 8.276 -0.524 19513 427 1 3 . 1 1 680 680 TRP N N 680 117.268 117.268 119.356 -2.088 19513 428 1 3 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.281 0.065 19513 429 1 3 . 1 1 680 680 TRP C C 680 176.340 176.340 177.724 -1.384 19513 430 1 3 . 1 1 680 680 TRP CA C 680 58.835 58.835 61.330 -2.495 19513 431 1 3 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.438 -0.249 19513 432 1 3 . 1 1 680 680 TRP H H 680 7.543 7.543 7.508 0.035 19513 433 1 3 . 1 1 681 681 TYR N N 681 116.283 116.283 119.556 -3.273 19513 434 1 3 . 1 1 681 681 TYR HA H 681 4.170 4.170 4.337 -0.167 19513 435 1 3 . 1 1 681 681 TYR C C 681 175.607 175.607 176.345 -0.738 19513 436 1 3 . 1 1 681 681 TYR CA C 681 59.670 59.670 60.326 -0.656 19513 437 1 3 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.897 0.220 19513 438 1 3 . 1 1 681 681 TYR H H 681 7.473 7.473 7.696 -0.223 19513 439 1 3 . 1 1 682 682 ILE N N 682 115.196 115.196 112.512 2.684 19513 440 1 3 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.090 0.095 19513 441 1 3 . 1 1 682 682 ILE C C 682 174.317 174.317 176.601 -2.284 19513 442 1 3 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.934 0.270 19513 443 1 3 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.199 -0.304 19513 444 1 3 . 1 1 682 682 ILE H H 682 7.483 7.483 7.168 0.315 19513 445 1 4 . 1 1 658 658 LYS HA H 658 4.287 4.287 3.874 0.413 19513 446 1 4 . 1 1 658 658 LYS C C 658 175.629 175.629 174.881 0.748 19513 447 1 4 . 1 1 658 658 LYS CA C 658 56.645 56.645 57.306 -0.661 19513 448 1 4 . 1 1 658 658 LYS CB C 658 32.996 32.996 31.173 1.823 19513 449 1 4 . 1 1 659 659 ASP N N 659 121.467 121.467 118.551 2.916 19513 450 1 4 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.620 -0.022 19513 451 1 4 . 1 1 659 659 ASP C C 659 176.474 176.474 177.158 -0.684 19513 452 1 4 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.351 0.870 19513 453 1 4 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.746 -0.417 19513 454 1 4 . 1 1 659 659 ASP H H 659 8.348 8.348 7.782 0.566 19513 455 1 4 . 1 1 660 660 LEU N N 660 123.085 123.085 120.260 2.825 19513 456 1 4 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.427 -0.213 19513 457 1 4 . 1 1 660 660 LEU C C 660 177.141 177.141 179.277 -2.136 19513 458 1 4 . 1 1 660 660 LEU CA C 660 56.500 56.500 57.470 -0.970 19513 459 1 4 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.029 0.477 19513 460 1 4 . 1 1 660 660 LEU H H 660 8.501 8.501 8.326 0.175 19513 461 1 4 . 1 1 661 661 LEU N N 661 118.555 118.555 120.772 -2.217 19513 462 1 4 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.246 0.114 19513 463 1 4 . 1 1 661 661 LEU C C 661 176.318 176.318 177.335 -1.017 19513 464 1 4 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.697 -1.853 19513 465 1 4 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.505 0.320 19513 466 1 4 . 1 1 661 661 LEU H H 661 8.130 8.130 7.882 0.248 19513 467 1 4 . 1 1 662 662 ALA N N 662 122.853 122.853 120.989 1.864 19513 468 1 4 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.227 0.188 19513 469 1 4 . 1 1 662 662 ALA C C 662 177.941 177.941 178.698 -0.757 19513 470 1 4 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.556 -0.412 19513 471 1 4 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.647 1.699 19513 472 1 4 . 1 1 662 662 ALA H H 662 7.864 7.864 8.185 -0.321 19513 473 1 4 . 1 1 663 663 LEU N N 663 121.303 121.303 125.613 -4.310 19513 474 1 4 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.277 -0.078 19513 475 1 4 . 1 1 663 663 LEU C C 663 177.963 177.963 177.718 0.245 19513 476 1 4 . 1 1 663 663 LEU CA C 663 56.639 56.639 57.099 -0.460 19513 477 1 4 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.930 0.090 19513 478 1 4 . 1 1 663 663 LEU H H 663 8.314 8.314 8.281 0.033 19513 479 1 4 . 1 1 664 664 ASP N N 664 118.224 118.224 118.294 -0.070 19513 480 1 4 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.442 -0.001 19513 481 1 4 . 1 1 664 664 ASP C C 664 177.541 177.541 177.986 -0.445 19513 482 1 4 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.209 -0.892 19513 483 1 4 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.197 0.716 19513 484 1 4 . 1 1 664 664 ASP H H 664 8.448 8.448 8.522 -0.074 19513 485 1 4 . 1 1 665 665 SER N N 665 113.947 113.947 113.416 0.531 19513 486 1 4 . 1 1 665 665 SER HA H 665 4.361 4.361 4.533 -0.172 19513 487 1 4 . 1 1 665 665 SER C C 665 175.562 175.562 175.160 0.402 19513 488 1 4 . 1 1 665 665 SER CA C 665 60.048 60.048 58.573 1.475 19513 489 1 4 . 1 1 665 665 SER CB C 665 63.503 63.503 63.372 0.131 19513 490 1 4 . 1 1 665 665 SER H H 665 7.921 7.921 7.762 0.159 19513 491 1 4 . 1 1 666 666 TRP N N 666 122.464 122.464 123.362 -0.898 19513 492 1 4 . 1 1 666 666 TRP HA H 666 4.508 4.508 4.054 0.454 19513 493 1 4 . 1 1 666 666 TRP C C 666 177.118 177.118 177.420 -0.302 19513 494 1 4 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.463 -1.628 19513 495 1 4 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.052 0.209 19513 496 1 4 . 1 1 666 666 TRP H H 666 8.048 8.048 7.815 0.233 19513 497 1 4 . 1 1 667 667 LYS N N 667 118.273 118.273 119.118 -0.845 19513 498 1 4 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.878 0.053 19513 499 1 4 . 1 1 667 667 LYS C C 667 178.186 178.186 178.606 -0.420 19513 500 1 4 . 1 1 667 667 LYS CA C 667 59.464 59.464 60.349 -0.885 19513 501 1 4 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.908 0.436 19513 502 1 4 . 1 1 667 667 LYS H H 667 7.876 7.876 7.735 0.141 19513 503 1 4 . 1 1 668 668 ASN N N 668 116.883 116.883 117.060 -0.177 19513 504 1 4 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.506 0.131 19513 505 1 4 . 1 1 668 668 ASN C C 668 176.763 176.763 177.444 -0.681 19513 506 1 4 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.665 -0.861 19513 507 1 4 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.125 0.119 19513 508 1 4 . 1 1 668 668 ASN H H 668 8.117 8.117 7.855 0.262 19513 509 1 4 . 1 1 669 669 LEU N N 669 121.093 121.093 121.892 -0.799 19513 510 1 4 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.090 -0.085 19513 511 1 4 . 1 1 669 669 LEU C C 669 177.519 177.519 177.496 0.023 19513 512 1 4 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.054 0.809 19513 513 1 4 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.073 1.153 19513 514 1 4 . 1 1 669 669 LEU H H 669 7.833 7.833 7.736 0.097 19513 515 1 4 . 1 1 670 670 TRP N N 670 116.959 116.959 119.037 -2.078 19513 516 1 4 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.474 0.111 19513 517 1 4 . 1 1 670 670 TRP C C 670 177.496 177.496 178.208 -0.712 19513 518 1 4 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.185 -0.267 19513 519 1 4 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.548 0.102 19513 520 1 4 . 1 1 670 670 TRP H H 670 7.864 7.864 8.570 -0.706 19513 521 1 4 . 1 1 671 671 SER N N 671 113.455 113.455 111.912 1.543 19513 522 1 4 . 1 1 671 671 SER HA H 671 4.253 4.253 4.424 -0.171 19513 523 1 4 . 1 1 671 671 SER C C 671 175.562 175.562 175.616 -0.054 19513 524 1 4 . 1 1 671 671 SER CA C 671 60.643 60.643 61.282 -0.639 19513 525 1 4 . 1 1 671 671 SER CB C 671 63.441 63.441 63.452 -0.011 19513 526 1 4 . 1 1 671 671 SER H H 671 7.950 7.950 7.891 0.059 19513 527 1 4 . 1 1 672 672 TRP N N 672 121.536 121.536 121.204 0.332 19513 528 1 4 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.398 0.063 19513 529 1 4 . 1 1 672 672 TRP C C 672 176.785 176.785 177.467 -0.682 19513 530 1 4 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.309 -1.149 19513 531 1 4 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.053 -0.598 19513 532 1 4 . 1 1 672 672 TRP H H 672 7.895 7.895 7.556 0.339 19513 533 1 4 . 1 1 673 673 PHE N N 673 118.414 118.414 119.756 -1.342 19513 534 1 4 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.634 -0.353 19513 535 1 4 . 1 1 673 673 PHE C C 673 175.473 175.473 175.285 0.188 19513 536 1 4 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.410 1.783 19513 537 1 4 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.926 1.449 19513 538 1 4 . 1 1 673 673 PHE H H 673 7.942 7.942 8.058 -0.116 19513 539 1 4 . 1 1 674 674 SER N N 674 114.868 114.868 119.496 -4.628 19513 540 1 4 . 1 1 674 674 SER HA H 674 4.362 4.362 4.706 -0.344 19513 541 1 4 . 1 1 674 674 SER C C 674 175.273 175.273 175.539 -0.266 19513 542 1 4 . 1 1 674 674 SER CA C 674 58.612 58.612 57.318 1.294 19513 543 1 4 . 1 1 674 674 SER CB C 674 63.602 63.602 62.696 0.907 19513 544 1 4 . 1 1 674 674 SER H H 674 7.698 7.698 8.327 -0.629 19513 545 1 4 . 1 1 675 675 ILE N N 675 121.205 121.205 124.475 -3.270 19513 546 1 4 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.164 -0.195 19513 547 1 4 . 1 1 675 675 ILE C C 675 176.696 176.696 177.473 -0.777 19513 548 1 4 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.499 -0.640 19513 549 1 4 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.075 1.341 19513 550 1 4 . 1 1 675 675 ILE H H 675 8.067 8.067 7.668 0.399 19513 551 1 4 . 1 1 676 676 THR N N 676 113.871 113.871 112.055 1.816 19513 552 1 4 . 1 1 676 676 THR HA H 676 3.934 3.934 3.912 0.022 19513 553 1 4 . 1 1 676 676 THR C C 676 175.384 175.384 176.705 -1.321 19513 554 1 4 . 1 1 676 676 THR CA C 676 64.588 64.588 66.151 -1.563 19513 555 1 4 . 1 1 676 676 THR CB C 676 68.930 68.930 68.357 0.573 19513 556 1 4 . 1 1 676 676 THR H H 676 7.819 7.819 8.641 -0.822 19513 557 1 4 . 1 1 677 677 ASN N N 677 119.341 119.341 119.484 -0.143 19513 558 1 4 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.766 -0.199 19513 559 1 4 . 1 1 677 677 ASN C C 677 175.940 175.940 176.739 -0.799 19513 560 1 4 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.726 -1.172 19513 561 1 4 . 1 1 677 677 ASN CB C 677 38.121 38.121 39.093 -0.972 19513 562 1 4 . 1 1 677 677 ASN H H 677 7.989 7.989 8.023 -0.034 19513 563 1 4 . 1 1 678 678 TRP N N 678 119.377 119.377 119.461 -0.084 19513 564 1 4 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.659 -0.068 19513 565 1 4 . 1 1 678 678 TRP C C 678 176.785 176.785 177.702 -0.917 19513 566 1 4 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.008 -0.312 19513 567 1 4 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.963 -0.319 19513 568 1 4 . 1 1 678 678 TRP H H 678 7.792 7.792 8.260 -0.468 19513 569 1 4 . 1 1 679 679 LEU N N 679 117.934 117.934 120.260 -2.326 19513 570 1 4 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.223 0.771 19513 571 1 4 . 1 1 679 679 LEU C C 679 177.430 177.430 177.652 -0.222 19513 572 1 4 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.423 0.327 19513 573 1 4 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.425 0.335 19513 574 1 4 . 1 1 679 679 LEU H H 679 7.752 7.752 8.445 -0.693 19513 575 1 4 . 1 1 680 680 TRP N N 680 117.268 117.268 120.950 -3.682 19513 576 1 4 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.270 0.076 19513 577 1 4 . 1 1 680 680 TRP C C 680 176.340 176.340 176.185 0.155 19513 578 1 4 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.475 -0.640 19513 579 1 4 . 1 1 680 680 TRP CB C 680 29.188 29.188 28.979 0.209 19513 580 1 4 . 1 1 680 680 TRP H H 680 7.543 7.543 7.815 -0.272 19513 581 1 4 . 1 1 681 681 TYR N N 681 116.283 116.283 121.077 -4.794 19513 582 1 4 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.392 0.778 19513 583 1 4 . 1 1 681 681 TYR C C 681 175.607 175.607 175.643 -0.036 19513 584 1 4 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.571 0.099 19513 585 1 4 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.691 0.426 19513 586 1 4 . 1 1 681 681 TYR H H 681 7.473 7.473 7.360 0.113 19513 587 1 4 . 1 1 682 682 ILE N N 682 115.196 115.196 112.382 2.814 19513 588 1 4 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.982 0.203 19513 589 1 4 . 1 1 682 682 ILE C C 682 174.317 174.317 176.423 -2.106 19513 590 1 4 . 1 1 682 682 ILE CA C 682 61.204 61.204 61.002 0.202 19513 591 1 4 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.159 -0.264 19513 592 1 4 . 1 1 682 682 ILE H H 682 7.483 7.483 7.029 0.454 19513 593 1 5 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.592 -0.305 19513 594 1 5 . 1 1 658 658 LYS C C 658 175.629 175.629 174.986 0.643 19513 595 1 5 . 1 1 658 658 LYS CA C 658 56.645 56.645 55.637 1.008 19513 596 1 5 . 1 1 658 658 LYS CB C 658 32.996 32.996 33.009 -0.013 19513 597 1 5 . 1 1 659 659 ASP N N 659 121.467 121.467 120.988 0.479 19513 598 1 5 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.623 -0.025 19513 599 1 5 . 1 1 659 659 ASP C C 659 176.474 176.474 176.699 -0.225 19513 600 1 5 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.777 0.444 19513 601 1 5 . 1 1 659 659 ASP CB C 659 41.329 41.329 42.142 -0.812 19513 602 1 5 . 1 1 659 659 ASP H H 659 8.348 8.348 8.014 0.334 19513 603 1 5 . 1 1 660 660 LEU N N 660 123.085 123.085 120.259 2.826 19513 604 1 5 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.400 -0.186 19513 605 1 5 . 1 1 660 660 LEU C C 660 177.141 177.141 179.241 -2.100 19513 606 1 5 . 1 1 660 660 LEU CA C 660 56.500 56.500 57.251 -0.751 19513 607 1 5 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.081 0.425 19513 608 1 5 . 1 1 660 660 LEU H H 660 8.501 8.501 8.282 0.219 19513 609 1 5 . 1 1 661 661 LEU N N 661 118.555 118.555 120.809 -2.254 19513 610 1 5 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.240 0.120 19513 611 1 5 . 1 1 661 661 LEU C C 661 176.318 176.318 177.347 -1.029 19513 612 1 5 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.713 -1.869 19513 613 1 5 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.497 0.328 19513 614 1 5 . 1 1 661 661 LEU H H 661 8.130 8.130 7.904 0.226 19513 615 1 5 . 1 1 662 662 ALA N N 662 122.853 122.853 120.897 1.956 19513 616 1 5 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.284 0.131 19513 617 1 5 . 1 1 662 662 ALA C C 662 177.941 177.941 178.465 -0.524 19513 618 1 5 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.691 -0.548 19513 619 1 5 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.660 1.686 19513 620 1 5 . 1 1 662 662 ALA H H 662 7.864 7.864 8.104 -0.240 19513 621 1 5 . 1 1 663 663 LEU N N 663 121.303 121.303 125.966 -4.663 19513 622 1 5 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.279 -0.080 19513 623 1 5 . 1 1 663 663 LEU C C 663 177.963 177.963 178.135 -0.172 19513 624 1 5 . 1 1 663 663 LEU CA C 663 56.639 56.639 57.020 -0.381 19513 625 1 5 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.920 0.100 19513 626 1 5 . 1 1 663 663 LEU H H 663 8.314 8.314 8.320 -0.006 19513 627 1 5 . 1 1 664 664 ASP N N 664 118.224 118.224 119.137 -0.913 19513 628 1 5 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.463 -0.022 19513 629 1 5 . 1 1 664 664 ASP C C 664 177.541 177.541 177.809 -0.268 19513 630 1 5 . 1 1 664 664 ASP CA C 664 56.317 56.317 56.989 -0.672 19513 631 1 5 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.708 0.205 19513 632 1 5 . 1 1 664 664 ASP H H 664 8.448 8.448 8.552 -0.104 19513 633 1 5 . 1 1 665 665 SER N N 665 113.947 113.947 113.748 0.199 19513 634 1 5 . 1 1 665 665 SER HA H 665 4.361 4.361 4.500 -0.139 19513 635 1 5 . 1 1 665 665 SER C C 665 175.562 175.562 175.846 -0.284 19513 636 1 5 . 1 1 665 665 SER CA C 665 60.048 60.048 59.812 0.236 19513 637 1 5 . 1 1 665 665 SER CB C 665 63.503 63.503 63.868 -0.366 19513 638 1 5 . 1 1 665 665 SER H H 665 7.921 7.921 7.833 0.088 19513 639 1 5 . 1 1 666 666 TRP N N 666 122.464 122.464 123.663 -1.199 19513 640 1 5 . 1 1 666 666 TRP HA H 666 4.508 4.508 4.035 0.473 19513 641 1 5 . 1 1 666 666 TRP C C 666 177.118 177.118 177.198 -0.080 19513 642 1 5 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.856 -2.021 19513 643 1 5 . 1 1 666 666 TRP CB C 666 29.262 29.262 28.909 0.353 19513 644 1 5 . 1 1 666 666 TRP H H 666 8.048 8.048 7.821 0.227 19513 645 1 5 . 1 1 667 667 LYS N N 667 118.273 118.273 118.503 -0.230 19513 646 1 5 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.881 0.050 19513 647 1 5 . 1 1 667 667 LYS C C 667 178.186 178.186 178.887 -0.701 19513 648 1 5 . 1 1 667 667 LYS CA C 667 59.464 59.464 60.023 -0.559 19513 649 1 5 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.783 0.561 19513 650 1 5 . 1 1 667 667 LYS H H 667 7.876 7.876 7.673 0.203 19513 651 1 5 . 1 1 668 668 ASN N N 668 116.883 116.883 117.132 -0.249 19513 652 1 5 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.579 0.058 19513 653 1 5 . 1 1 668 668 ASN C C 668 176.763 176.763 177.510 -0.747 19513 654 1 5 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.483 -0.678 19513 655 1 5 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.405 -0.161 19513 656 1 5 . 1 1 668 668 ASN H H 668 8.117 8.117 7.758 0.359 19513 657 1 5 . 1 1 669 669 LEU N N 669 121.093 121.093 121.491 -0.398 19513 658 1 5 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.140 -0.135 19513 659 1 5 . 1 1 669 669 LEU C C 669 177.519 177.519 177.954 -0.435 19513 660 1 5 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.436 0.427 19513 661 1 5 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.916 0.310 19513 662 1 5 . 1 1 669 669 LEU H H 669 7.833 7.833 7.796 0.037 19513 663 1 5 . 1 1 670 670 TRP N N 670 116.959 116.959 118.929 -1.970 19513 664 1 5 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.480 0.105 19513 665 1 5 . 1 1 670 670 TRP C C 670 177.496 177.496 178.147 -0.651 19513 666 1 5 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.343 -0.425 19513 667 1 5 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.737 -0.087 19513 668 1 5 . 1 1 670 670 TRP H H 670 7.864 7.864 8.409 -0.545 19513 669 1 5 . 1 1 671 671 SER N N 671 113.455 113.455 112.022 1.433 19513 670 1 5 . 1 1 671 671 SER HA H 671 4.253 4.253 4.450 -0.197 19513 671 1 5 . 1 1 671 671 SER C C 671 175.562 175.562 176.006 -0.444 19513 672 1 5 . 1 1 671 671 SER CA C 671 60.643 60.643 60.944 -0.301 19513 673 1 5 . 1 1 671 671 SER CB C 671 63.441 63.441 63.203 0.238 19513 674 1 5 . 1 1 671 671 SER H H 671 7.950 7.950 7.970 -0.020 19513 675 1 5 . 1 1 672 672 TRP N N 672 121.536 121.536 122.260 -0.724 19513 676 1 5 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.373 0.088 19513 677 1 5 . 1 1 672 672 TRP C C 672 176.785 176.785 176.969 -0.184 19513 678 1 5 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.685 -1.525 19513 679 1 5 . 1 1 672 672 TRP CB C 672 29.455 29.455 29.826 -0.371 19513 680 1 5 . 1 1 672 672 TRP H H 672 7.895 7.895 7.623 0.272 19513 681 1 5 . 1 1 673 673 PHE N N 673 118.414 118.414 119.090 -0.676 19513 682 1 5 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.664 -0.383 19513 683 1 5 . 1 1 673 673 PHE C C 673 175.473 175.473 176.429 -0.956 19513 684 1 5 . 1 1 673 673 PHE CA C 673 59.193 59.193 58.256 0.937 19513 685 1 5 . 1 1 673 673 PHE CB C 673 39.375 39.375 38.322 1.053 19513 686 1 5 . 1 1 673 673 PHE H H 673 7.942 7.942 8.198 -0.256 19513 687 1 5 . 1 1 674 674 SER N N 674 114.868 114.868 123.334 -8.466 19513 688 1 5 . 1 1 674 674 SER HA H 674 4.362 4.362 4.656 -0.294 19513 689 1 5 . 1 1 674 674 SER C C 674 175.273 175.273 175.201 0.072 19513 690 1 5 . 1 1 674 674 SER CA C 674 58.612 58.612 57.783 0.828 19513 691 1 5 . 1 1 674 674 SER CB C 674 63.602 63.602 62.360 1.242 19513 692 1 5 . 1 1 674 674 SER H H 674 7.698 7.698 8.736 -1.038 19513 693 1 5 . 1 1 675 675 ILE N N 675 121.205 121.205 124.142 -2.937 19513 694 1 5 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.163 -0.194 19513 695 1 5 . 1 1 675 675 ILE C C 675 176.696 176.696 177.595 -0.899 19513 696 1 5 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.968 -1.109 19513 697 1 5 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.160 1.256 19513 698 1 5 . 1 1 675 675 ILE H H 675 8.067 8.067 7.958 0.109 19513 699 1 5 . 1 1 676 676 THR N N 676 113.871 113.871 112.745 1.126 19513 700 1 5 . 1 1 676 676 THR HA H 676 3.934 3.934 3.938 -0.004 19513 701 1 5 . 1 1 676 676 THR C C 676 175.384 175.384 176.689 -1.305 19513 702 1 5 . 1 1 676 676 THR CA C 676 64.588 64.588 65.942 -1.354 19513 703 1 5 . 1 1 676 676 THR CB C 676 68.930 68.930 68.149 0.781 19513 704 1 5 . 1 1 676 676 THR H H 676 7.819 7.819 8.663 -0.844 19513 705 1 5 . 1 1 677 677 ASN N N 677 119.341 119.341 119.803 -0.462 19513 706 1 5 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.780 -0.213 19513 707 1 5 . 1 1 677 677 ASN C C 677 175.940 175.940 176.792 -0.852 19513 708 1 5 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.607 -1.053 19513 709 1 5 . 1 1 677 677 ASN CB C 677 38.121 38.121 39.116 -0.995 19513 710 1 5 . 1 1 677 677 ASN H H 677 7.989 7.989 8.032 -0.043 19513 711 1 5 . 1 1 678 678 TRP N N 678 119.377 119.377 119.529 -0.152 19513 712 1 5 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.651 -0.060 19513 713 1 5 . 1 1 678 678 TRP C C 678 176.785 176.785 177.846 -1.061 19513 714 1 5 . 1 1 678 678 TRP CA C 678 58.696 58.696 58.960 -0.264 19513 715 1 5 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.819 -0.175 19513 716 1 5 . 1 1 678 678 TRP H H 678 7.792 7.792 8.185 -0.393 19513 717 1 5 . 1 1 679 679 LEU N N 679 117.934 117.934 120.169 -2.235 19513 718 1 5 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.131 0.863 19513 719 1 5 . 1 1 679 679 LEU C C 679 177.430 177.430 177.888 -0.458 19513 720 1 5 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.669 0.081 19513 721 1 5 . 1 1 679 679 LEU CB C 679 41.760 41.760 40.852 0.908 19513 722 1 5 . 1 1 679 679 LEU H H 679 7.752 7.752 8.503 -0.751 19513 723 1 5 . 1 1 680 680 TRP N N 680 117.268 117.268 119.701 -2.433 19513 724 1 5 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.276 0.070 19513 725 1 5 . 1 1 680 680 TRP C C 680 176.340 176.340 177.678 -1.338 19513 726 1 5 . 1 1 680 680 TRP CA C 680 58.835 58.835 60.662 -1.827 19513 727 1 5 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.499 -0.311 19513 728 1 5 . 1 1 680 680 TRP H H 680 7.543 7.543 7.863 -0.320 19513 729 1 5 . 1 1 681 681 TYR N N 681 116.283 116.283 119.232 -2.949 19513 730 1 5 . 1 1 681 681 TYR HA H 681 4.170 4.170 4.360 -0.190 19513 731 1 5 . 1 1 681 681 TYR C C 681 175.607 175.607 176.386 -0.779 19513 732 1 5 . 1 1 681 681 TYR CA C 681 59.670 59.670 60.692 -1.022 19513 733 1 5 . 1 1 681 681 TYR CB C 681 39.117 39.117 39.107 0.010 19513 734 1 5 . 1 1 681 681 TYR H H 681 7.473 7.473 7.757 -0.284 19513 735 1 5 . 1 1 682 682 ILE N N 682 115.196 115.196 113.021 2.175 19513 736 1 5 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.064 0.121 19513 737 1 5 . 1 1 682 682 ILE C C 682 174.317 174.317 176.165 -1.848 19513 738 1 5 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.827 0.377 19513 739 1 5 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.215 -0.320 19513 740 1 5 . 1 1 682 682 ILE H H 682 7.483 7.483 7.168 0.316 19513 741 1 6 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.532 -0.245 19513 742 1 6 . 1 1 658 658 LYS C C 658 175.629 175.629 175.261 0.368 19513 743 1 6 . 1 1 658 658 LYS CA C 658 56.645 56.645 55.546 1.099 19513 744 1 6 . 1 1 658 658 LYS CB C 658 32.996 32.996 33.390 -0.394 19513 745 1 6 . 1 1 659 659 ASP N N 659 121.467 121.467 120.436 1.031 19513 746 1 6 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.698 -0.100 19513 747 1 6 . 1 1 659 659 ASP C C 659 176.474 176.474 176.624 -0.150 19513 748 1 6 . 1 1 659 659 ASP CA C 659 54.221 54.221 54.015 0.206 19513 749 1 6 . 1 1 659 659 ASP CB C 659 41.329 41.329 42.512 -1.183 19513 750 1 6 . 1 1 659 659 ASP H H 659 8.348 8.348 8.204 0.144 19513 751 1 6 . 1 1 660 660 LEU N N 660 123.085 123.085 120.241 2.844 19513 752 1 6 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.421 -0.207 19513 753 1 6 . 1 1 660 660 LEU C C 660 177.141 177.141 179.635 -2.494 19513 754 1 6 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.964 -0.464 19513 755 1 6 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.198 0.308 19513 756 1 6 . 1 1 660 660 LEU H H 660 8.501 8.501 8.411 0.090 19513 757 1 6 . 1 1 661 661 LEU N N 661 118.555 118.555 121.059 -2.504 19513 758 1 6 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.230 0.130 19513 759 1 6 . 1 1 661 661 LEU C C 661 176.318 176.318 177.351 -1.033 19513 760 1 6 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.756 -1.912 19513 761 1 6 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.484 0.341 19513 762 1 6 . 1 1 661 661 LEU H H 661 8.130 8.130 7.929 0.201 19513 763 1 6 . 1 1 662 662 ALA N N 662 122.853 122.853 121.150 1.703 19513 764 1 6 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.223 0.192 19513 765 1 6 . 1 1 662 662 ALA C C 662 177.941 177.941 178.629 -0.688 19513 766 1 6 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.612 -0.468 19513 767 1 6 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.482 1.864 19513 768 1 6 . 1 1 662 662 ALA H H 662 7.864 7.864 8.154 -0.290 19513 769 1 6 . 1 1 663 663 LEU N N 663 121.303 121.303 124.997 -3.694 19513 770 1 6 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.257 -0.058 19513 771 1 6 . 1 1 663 663 LEU C C 663 177.963 177.963 177.320 0.643 19513 772 1 6 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.914 -0.276 19513 773 1 6 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.929 0.091 19513 774 1 6 . 1 1 663 663 LEU H H 663 8.314 8.314 8.196 0.118 19513 775 1 6 . 1 1 664 664 ASP N N 664 118.224 118.224 116.856 1.368 19513 776 1 6 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.413 0.028 19513 777 1 6 . 1 1 664 664 ASP C C 664 177.541 177.541 177.403 0.138 19513 778 1 6 . 1 1 664 664 ASP CA C 664 56.317 56.317 56.676 -0.359 19513 779 1 6 . 1 1 664 664 ASP CB C 664 40.913 40.913 39.938 0.975 19513 780 1 6 . 1 1 664 664 ASP H H 664 8.448 8.448 8.569 -0.121 19513 781 1 6 . 1 1 665 665 SER N N 665 113.947 113.947 112.251 1.696 19513 782 1 6 . 1 1 665 665 SER HA H 665 4.361 4.361 4.496 -0.135 19513 783 1 6 . 1 1 665 665 SER C C 665 175.562 175.562 175.785 -0.223 19513 784 1 6 . 1 1 665 665 SER CA C 665 60.048 60.048 59.315 0.733 19513 785 1 6 . 1 1 665 665 SER CB C 665 63.503 63.503 63.610 -0.107 19513 786 1 6 . 1 1 665 665 SER H H 665 7.921 7.921 7.681 0.240 19513 787 1 6 . 1 1 666 666 TRP N N 666 122.464 122.464 124.020 -1.556 19513 788 1 6 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.984 0.524 19513 789 1 6 . 1 1 666 666 TRP C C 666 177.118 177.118 177.364 -0.246 19513 790 1 6 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.538 -1.703 19513 791 1 6 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.307 -0.045 19513 792 1 6 . 1 1 666 666 TRP H H 666 8.048 8.048 7.747 0.301 19513 793 1 6 . 1 1 667 667 LYS N N 667 118.273 118.273 118.641 -0.368 19513 794 1 6 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.800 0.131 19513 795 1 6 . 1 1 667 667 LYS C C 667 178.186 178.186 178.520 -0.334 19513 796 1 6 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.710 -0.246 19513 797 1 6 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.381 0.963 19513 798 1 6 . 1 1 667 667 LYS H H 667 7.876 7.876 7.826 0.050 19513 799 1 6 . 1 1 668 668 ASN N N 668 116.883 116.883 117.552 -0.669 19513 800 1 6 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.563 0.074 19513 801 1 6 . 1 1 668 668 ASN C C 668 176.763 176.763 177.543 -0.780 19513 802 1 6 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.349 -0.545 19513 803 1 6 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.495 -0.251 19513 804 1 6 . 1 1 668 668 ASN H H 668 8.117 8.117 7.734 0.383 19513 805 1 6 . 1 1 669 669 LEU N N 669 121.093 121.093 121.499 -0.406 19513 806 1 6 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.099 -0.094 19513 807 1 6 . 1 1 669 669 LEU C C 669 177.519 177.519 177.800 -0.281 19513 808 1 6 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.340 0.523 19513 809 1 6 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.909 0.317 19513 810 1 6 . 1 1 669 669 LEU H H 669 7.833 7.833 7.889 -0.056 19513 811 1 6 . 1 1 670 670 TRP N N 670 116.959 116.959 119.098 -2.139 19513 812 1 6 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.325 0.260 19513 813 1 6 . 1 1 670 670 TRP C C 670 177.496 177.496 179.222 -1.726 19513 814 1 6 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.081 -0.163 19513 815 1 6 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.626 0.024 19513 816 1 6 . 1 1 670 670 TRP H H 670 7.864 7.864 8.470 -0.606 19513 817 1 6 . 1 1 671 671 SER N N 671 113.455 113.455 114.210 -0.755 19513 818 1 6 . 1 1 671 671 SER HA H 671 4.253 4.253 4.412 -0.159 19513 819 1 6 . 1 1 671 671 SER C C 671 175.562 175.562 175.923 -0.361 19513 820 1 6 . 1 1 671 671 SER CA C 671 60.643 60.643 60.837 -0.195 19513 821 1 6 . 1 1 671 671 SER CB C 671 63.441 63.441 63.017 0.424 19513 822 1 6 . 1 1 671 671 SER H H 671 7.950 7.950 8.165 -0.215 19513 823 1 6 . 1 1 672 672 TRP N N 672 121.536 121.536 120.964 0.572 19513 824 1 6 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.500 -0.039 19513 825 1 6 . 1 1 672 672 TRP C C 672 176.785 176.785 177.846 -1.061 19513 826 1 6 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.142 -0.983 19513 827 1 6 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.013 -0.558 19513 828 1 6 . 1 1 672 672 TRP H H 672 7.895 7.895 7.726 0.169 19513 829 1 6 . 1 1 673 673 PHE N N 673 118.414 118.414 119.034 -0.620 19513 830 1 6 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.634 -0.353 19513 831 1 6 . 1 1 673 673 PHE C C 673 175.473 175.473 175.453 0.020 19513 832 1 6 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.805 1.388 19513 833 1 6 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.439 1.936 19513 834 1 6 . 1 1 673 673 PHE H H 673 7.942 7.942 7.854 0.088 19513 835 1 6 . 1 1 674 674 SER N N 674 114.868 114.868 117.580 -2.712 19513 836 1 6 . 1 1 674 674 SER HA H 674 4.362 4.362 4.657 -0.295 19513 837 1 6 . 1 1 674 674 SER C C 674 175.273 175.273 175.503 -0.230 19513 838 1 6 . 1 1 674 674 SER CA C 674 58.612 58.612 56.379 2.233 19513 839 1 6 . 1 1 674 674 SER CB C 674 63.602 63.602 62.444 1.158 19513 840 1 6 . 1 1 674 674 SER H H 674 7.698 7.698 7.907 -0.209 19513 841 1 6 . 1 1 675 675 ILE N N 675 121.205 121.205 122.505 -1.300 19513 842 1 6 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.077 -0.108 19513 843 1 6 . 1 1 675 675 ILE C C 675 176.696 176.696 177.799 -1.103 19513 844 1 6 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.576 -0.717 19513 845 1 6 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.387 1.029 19513 846 1 6 . 1 1 675 675 ILE H H 675 8.067 8.067 7.440 0.627 19513 847 1 6 . 1 1 676 676 THR N N 676 113.871 113.871 111.847 2.024 19513 848 1 6 . 1 1 676 676 THR HA H 676 3.934 3.934 3.923 0.011 19513 849 1 6 . 1 1 676 676 THR C C 676 175.384 175.384 176.682 -1.298 19513 850 1 6 . 1 1 676 676 THR CA C 676 64.588 64.588 66.079 -1.491 19513 851 1 6 . 1 1 676 676 THR CB C 676 68.930 68.930 68.396 0.534 19513 852 1 6 . 1 1 676 676 THR H H 676 7.819 7.819 8.609 -0.790 19513 853 1 6 . 1 1 677 677 ASN N N 677 119.341 119.341 119.493 -0.152 19513 854 1 6 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.760 -0.193 19513 855 1 6 . 1 1 677 677 ASN C C 677 175.940 175.940 176.747 -0.807 19513 856 1 6 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.543 -0.989 19513 857 1 6 . 1 1 677 677 ASN CB C 677 38.121 38.121 39.048 -0.927 19513 858 1 6 . 1 1 677 677 ASN H H 677 7.989 7.989 8.082 -0.093 19513 859 1 6 . 1 1 678 678 TRP N N 678 119.377 119.377 119.480 -0.103 19513 860 1 6 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.619 -0.028 19513 861 1 6 . 1 1 678 678 TRP C C 678 176.785 176.785 177.735 -0.950 19513 862 1 6 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.018 -0.322 19513 863 1 6 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.810 -0.166 19513 864 1 6 . 1 1 678 678 TRP H H 678 7.792 7.792 8.211 -0.419 19513 865 1 6 . 1 1 679 679 LEU N N 679 117.934 117.934 120.159 -2.225 19513 866 1 6 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.209 0.785 19513 867 1 6 . 1 1 679 679 LEU C C 679 177.430 177.430 177.662 -0.232 19513 868 1 6 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.374 0.376 19513 869 1 6 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.390 0.370 19513 870 1 6 . 1 1 679 679 LEU H H 679 7.752 7.752 8.383 -0.631 19513 871 1 6 . 1 1 680 680 TRP N N 680 117.268 117.268 120.890 -3.622 19513 872 1 6 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.268 0.078 19513 873 1 6 . 1 1 680 680 TRP C C 680 176.340 176.340 176.180 0.160 19513 874 1 6 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.435 -0.600 19513 875 1 6 . 1 1 680 680 TRP CB C 680 29.188 29.188 28.968 0.220 19513 876 1 6 . 1 1 680 680 TRP H H 680 7.543 7.543 7.700 -0.157 19513 877 1 6 . 1 1 681 681 TYR N N 681 116.283 116.283 121.083 -4.800 19513 878 1 6 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.377 0.793 19513 879 1 6 . 1 1 681 681 TYR C C 681 175.607 175.607 175.647 -0.040 19513 880 1 6 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.590 0.080 19513 881 1 6 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.671 0.446 19513 882 1 6 . 1 1 681 681 TYR H H 681 7.473 7.473 7.350 0.123 19513 883 1 6 . 1 1 682 682 ILE N N 682 115.196 115.196 112.303 2.893 19513 884 1 6 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.015 0.170 19513 885 1 6 . 1 1 682 682 ILE C C 682 174.317 174.317 176.547 -2.230 19513 886 1 6 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.975 0.229 19513 887 1 6 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.262 -0.367 19513 888 1 6 . 1 1 682 682 ILE H H 682 7.483 7.483 7.006 0.477 19513 889 1 7 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.194 0.093 19513 890 1 7 . 1 1 658 658 LYS C C 658 175.629 175.629 175.833 -0.204 19513 891 1 7 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.657 -0.012 19513 892 1 7 . 1 1 658 658 LYS CB C 658 32.996 32.996 31.978 1.018 19513 893 1 7 . 1 1 659 659 ASP N N 659 121.467 121.467 125.283 -3.816 19513 894 1 7 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.608 -0.010 19513 895 1 7 . 1 1 659 659 ASP C C 659 176.474 176.474 176.383 0.091 19513 896 1 7 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.662 0.559 19513 897 1 7 . 1 1 659 659 ASP CB C 659 41.329 41.329 42.045 -0.716 19513 898 1 7 . 1 1 659 659 ASP H H 659 8.348 8.348 8.413 -0.065 19513 899 1 7 . 1 1 660 660 LEU N N 660 123.085 123.085 119.922 3.163 19513 900 1 7 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.534 -0.320 19513 901 1 7 . 1 1 660 660 LEU C C 660 177.141 177.141 178.851 -1.710 19513 902 1 7 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.688 -0.188 19513 903 1 7 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.248 0.258 19513 904 1 7 . 1 1 660 660 LEU H H 660 8.501 8.501 8.177 0.324 19513 905 1 7 . 1 1 661 661 LEU N N 661 118.555 118.555 120.680 -2.125 19513 906 1 7 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.132 0.228 19513 907 1 7 . 1 1 661 661 LEU C C 661 176.318 176.318 176.909 -0.591 19513 908 1 7 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.666 -1.822 19513 909 1 7 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.966 -0.141 19513 910 1 7 . 1 1 661 661 LEU H H 661 8.130 8.130 7.807 0.323 19513 911 1 7 . 1 1 662 662 ALA N N 662 122.853 122.853 120.505 2.348 19513 912 1 7 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.157 0.258 19513 913 1 7 . 1 1 662 662 ALA C C 662 177.941 177.941 178.071 -0.130 19513 914 1 7 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.431 -0.287 19513 915 1 7 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.558 1.788 19513 916 1 7 . 1 1 662 662 ALA H H 662 7.864 7.864 7.858 0.006 19513 917 1 7 . 1 1 663 663 LEU N N 663 121.303 121.303 125.044 -3.741 19513 918 1 7 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.277 -0.078 19513 919 1 7 . 1 1 663 663 LEU C C 663 177.963 177.963 177.389 0.574 19513 920 1 7 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.969 -0.331 19513 921 1 7 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.925 0.095 19513 922 1 7 . 1 1 663 663 LEU H H 663 8.314 8.314 8.193 0.121 19513 923 1 7 . 1 1 664 664 ASP N N 664 118.224 118.224 117.390 0.834 19513 924 1 7 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.433 0.008 19513 925 1 7 . 1 1 664 664 ASP C C 664 177.541 177.541 178.569 -1.028 19513 926 1 7 . 1 1 664 664 ASP CA C 664 56.317 56.317 56.921 -0.604 19513 927 1 7 . 1 1 664 664 ASP CB C 664 40.913 40.913 39.904 1.008 19513 928 1 7 . 1 1 664 664 ASP H H 664 8.448 8.448 8.581 -0.133 19513 929 1 7 . 1 1 665 665 SER N N 665 113.947 113.947 115.478 -1.531 19513 930 1 7 . 1 1 665 665 SER HA H 665 4.361 4.361 4.469 -0.108 19513 931 1 7 . 1 1 665 665 SER C C 665 175.562 175.562 175.121 0.441 19513 932 1 7 . 1 1 665 665 SER CA C 665 60.048 60.048 60.118 -0.070 19513 933 1 7 . 1 1 665 665 SER CB C 665 63.503 63.503 63.222 0.281 19513 934 1 7 . 1 1 665 665 SER H H 665 7.921 7.921 7.897 0.024 19513 935 1 7 . 1 1 666 666 TRP N N 666 122.464 122.464 123.242 -0.778 19513 936 1 7 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.984 0.524 19513 937 1 7 . 1 1 666 666 TRP C C 666 177.118 177.118 177.095 0.023 19513 938 1 7 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.598 -1.763 19513 939 1 7 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.260 0.002 19513 940 1 7 . 1 1 666 666 TRP H H 666 8.048 8.048 7.798 0.250 19513 941 1 7 . 1 1 667 667 LYS N N 667 118.273 118.273 119.206 -0.933 19513 942 1 7 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.870 0.061 19513 943 1 7 . 1 1 667 667 LYS C C 667 178.186 178.186 178.709 -0.523 19513 944 1 7 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.759 -0.295 19513 945 1 7 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.409 0.935 19513 946 1 7 . 1 1 667 667 LYS H H 667 7.876 7.876 7.804 0.072 19513 947 1 7 . 1 1 668 668 ASN N N 668 116.883 116.883 118.045 -1.162 19513 948 1 7 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.567 0.070 19513 949 1 7 . 1 1 668 668 ASN C C 668 176.763 176.763 177.607 -0.844 19513 950 1 7 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.883 -1.079 19513 951 1 7 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.410 -0.166 19513 952 1 7 . 1 1 668 668 ASN H H 668 8.117 8.117 7.812 0.305 19513 953 1 7 . 1 1 669 669 LEU N N 669 121.093 121.093 121.860 -0.767 19513 954 1 7 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.165 -0.160 19513 955 1 7 . 1 1 669 669 LEU C C 669 177.519 177.519 177.858 -0.339 19513 956 1 7 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.464 0.399 19513 957 1 7 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.942 0.284 19513 958 1 7 . 1 1 669 669 LEU H H 669 7.833 7.833 7.862 -0.029 19513 959 1 7 . 1 1 670 670 TRP N N 670 116.959 116.959 119.127 -2.168 19513 960 1 7 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.444 0.141 19513 961 1 7 . 1 1 670 670 TRP C C 670 177.496 177.496 178.297 -0.801 19513 962 1 7 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.273 -0.355 19513 963 1 7 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.746 -0.096 19513 964 1 7 . 1 1 670 670 TRP H H 670 7.864 7.864 8.432 -0.568 19513 965 1 7 . 1 1 671 671 SER N N 671 113.455 113.455 112.122 1.333 19513 966 1 7 . 1 1 671 671 SER HA H 671 4.253 4.253 4.404 -0.151 19513 967 1 7 . 1 1 671 671 SER C C 671 175.562 175.562 175.764 -0.202 19513 968 1 7 . 1 1 671 671 SER CA C 671 60.643 60.643 60.765 -0.122 19513 969 1 7 . 1 1 671 671 SER CB C 671 63.441 63.441 63.275 0.166 19513 970 1 7 . 1 1 671 671 SER H H 671 7.950 7.950 7.948 0.002 19513 971 1 7 . 1 1 672 672 TRP N N 672 121.536 121.536 120.611 0.925 19513 972 1 7 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.443 0.018 19513 973 1 7 . 1 1 672 672 TRP C C 672 176.785 176.785 177.449 -0.664 19513 974 1 7 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.309 -1.149 19513 975 1 7 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.338 -0.883 19513 976 1 7 . 1 1 672 672 TRP H H 672 7.895 7.895 7.590 0.305 19513 977 1 7 . 1 1 673 673 PHE N N 673 118.414 118.414 118.820 -0.406 19513 978 1 7 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.656 -0.375 19513 979 1 7 . 1 1 673 673 PHE C C 673 175.473 175.473 176.721 -1.248 19513 980 1 7 . 1 1 673 673 PHE CA C 673 59.193 59.193 58.488 0.705 19513 981 1 7 . 1 1 673 673 PHE CB C 673 39.375 39.375 39.090 0.285 19513 982 1 7 . 1 1 673 673 PHE H H 673 7.942 7.942 8.400 -0.458 19513 983 1 7 . 1 1 674 674 SER N N 674 114.868 114.868 122.717 -7.849 19513 984 1 7 . 1 1 674 674 SER HA H 674 4.362 4.362 4.584 -0.222 19513 985 1 7 . 1 1 674 674 SER C C 674 175.273 175.273 175.390 -0.117 19513 986 1 7 . 1 1 674 674 SER CA C 674 58.612 58.612 57.056 1.556 19513 987 1 7 . 1 1 674 674 SER CB C 674 63.602 63.602 61.985 1.617 19513 988 1 7 . 1 1 674 674 SER H H 674 7.698 7.698 8.863 -1.165 19513 989 1 7 . 1 1 675 675 ILE N N 675 121.205 121.205 124.140 -2.935 19513 990 1 7 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.194 -0.225 19513 991 1 7 . 1 1 675 675 ILE C C 675 176.696 176.696 177.307 -0.611 19513 992 1 7 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.412 -0.553 19513 993 1 7 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.254 1.162 19513 994 1 7 . 1 1 675 675 ILE H H 675 8.067 8.067 8.313 -0.246 19513 995 1 7 . 1 1 676 676 THR N N 676 113.871 113.871 114.204 -0.333 19513 996 1 7 . 1 1 676 676 THR HA H 676 3.934 3.934 3.929 0.005 19513 997 1 7 . 1 1 676 676 THR C C 676 175.384 175.384 176.777 -1.393 19513 998 1 7 . 1 1 676 676 THR CA C 676 64.588 64.588 66.121 -1.533 19513 999 1 7 . 1 1 676 676 THR CB C 676 68.930 68.930 68.380 0.550 19513 1000 1 7 . 1 1 676 676 THR H H 676 7.819 7.819 8.570 -0.751 19513 1001 1 7 . 1 1 677 677 ASN N N 677 119.341 119.341 119.529 -0.188 19513 1002 1 7 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.752 -0.185 19513 1003 1 7 . 1 1 677 677 ASN C C 677 175.940 175.940 176.939 -0.999 19513 1004 1 7 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.810 -1.256 19513 1005 1 7 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.935 -0.814 19513 1006 1 7 . 1 1 677 677 ASN H H 677 7.989 7.989 8.102 -0.113 19513 1007 1 7 . 1 1 678 678 TRP N N 678 119.377 119.377 119.367 0.010 19513 1008 1 7 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.663 -0.072 19513 1009 1 7 . 1 1 678 678 TRP C C 678 176.785 176.785 177.682 -0.897 19513 1010 1 7 . 1 1 678 678 TRP CA C 678 58.696 58.696 58.943 -0.247 19513 1011 1 7 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.949 -0.305 19513 1012 1 7 . 1 1 678 678 TRP H H 678 7.792 7.792 8.273 -0.481 19513 1013 1 7 . 1 1 679 679 LEU N N 679 117.934 117.934 120.320 -2.386 19513 1014 1 7 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.226 0.768 19513 1015 1 7 . 1 1 679 679 LEU C C 679 177.430 177.430 177.655 -0.225 19513 1016 1 7 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.431 0.319 19513 1017 1 7 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.419 0.341 19513 1018 1 7 . 1 1 679 679 LEU H H 679 7.752 7.752 8.467 -0.715 19513 1019 1 7 . 1 1 680 680 TRP N N 680 117.268 117.268 120.323 -3.055 19513 1020 1 7 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.292 0.054 19513 1021 1 7 . 1 1 680 680 TRP C C 680 176.340 176.340 176.477 -0.137 19513 1022 1 7 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.634 -0.799 19513 1023 1 7 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.137 0.051 19513 1024 1 7 . 1 1 680 680 TRP H H 680 7.543 7.543 7.862 -0.319 19513 1025 1 7 . 1 1 681 681 TYR N N 681 116.283 116.283 121.027 -4.744 19513 1026 1 7 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.376 0.794 19513 1027 1 7 . 1 1 681 681 TYR C C 681 175.607 175.607 175.689 -0.082 19513 1028 1 7 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.634 0.036 19513 1029 1 7 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.744 0.373 19513 1030 1 7 . 1 1 681 681 TYR H H 681 7.473 7.473 7.346 0.127 19513 1031 1 7 . 1 1 682 682 ILE N N 682 115.196 115.196 112.333 2.863 19513 1032 1 7 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.055 0.130 19513 1033 1 7 . 1 1 682 682 ILE C C 682 174.317 174.317 176.494 -2.177 19513 1034 1 7 . 1 1 682 682 ILE CA C 682 61.204 61.204 61.046 0.158 19513 1035 1 7 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.222 -0.327 19513 1036 1 7 . 1 1 682 682 ILE H H 682 7.483 7.483 7.096 0.387 19513 1037 1 8 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.604 -0.317 19513 1038 1 8 . 1 1 658 658 LYS C C 658 175.629 175.629 175.277 0.352 19513 1039 1 8 . 1 1 658 658 LYS CA C 658 56.645 56.645 55.352 1.293 19513 1040 1 8 . 1 1 658 658 LYS CB C 658 32.996 32.996 34.054 -1.058 19513 1041 1 8 . 1 1 659 659 ASP N N 659 121.467 121.467 120.570 0.897 19513 1042 1 8 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.719 -0.121 19513 1043 1 8 . 1 1 659 659 ASP C C 659 176.474 176.474 176.740 -0.266 19513 1044 1 8 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.936 0.285 19513 1045 1 8 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.934 -0.605 19513 1046 1 8 . 1 1 659 659 ASP H H 659 8.348 8.348 8.367 -0.019 19513 1047 1 8 . 1 1 660 660 LEU N N 660 123.085 123.085 120.362 2.723 19513 1048 1 8 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.340 -0.126 19513 1049 1 8 . 1 1 660 660 LEU C C 660 177.141 177.141 179.300 -2.159 19513 1050 1 8 . 1 1 660 660 LEU CA C 660 56.500 56.500 57.039 -0.539 19513 1051 1 8 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.193 0.313 19513 1052 1 8 . 1 1 660 660 LEU H H 660 8.501 8.501 8.292 0.209 19513 1053 1 8 . 1 1 661 661 LEU N N 661 118.555 118.555 120.860 -2.305 19513 1054 1 8 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.210 0.150 19513 1055 1 8 . 1 1 661 661 LEU C C 661 176.318 176.318 177.373 -1.055 19513 1056 1 8 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.805 -1.961 19513 1057 1 8 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.450 0.375 19513 1058 1 8 . 1 1 661 661 LEU H H 661 8.130 8.130 7.947 0.183 19513 1059 1 8 . 1 1 662 662 ALA N N 662 122.853 122.853 120.777 2.076 19513 1060 1 8 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.196 0.219 19513 1061 1 8 . 1 1 662 662 ALA C C 662 177.941 177.941 178.716 -0.775 19513 1062 1 8 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.589 -0.445 19513 1063 1 8 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.658 1.688 19513 1064 1 8 . 1 1 662 662 ALA H H 662 7.864 7.864 8.183 -0.319 19513 1065 1 8 . 1 1 663 663 LEU N N 663 121.303 121.303 125.978 -4.675 19513 1066 1 8 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.278 -0.079 19513 1067 1 8 . 1 1 663 663 LEU C C 663 177.963 177.963 177.705 0.258 19513 1068 1 8 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.990 -0.351 19513 1069 1 8 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.911 0.109 19513 1070 1 8 . 1 1 663 663 LEU H H 663 8.314 8.314 8.330 -0.016 19513 1071 1 8 . 1 1 664 664 ASP N N 664 118.224 118.224 118.657 -0.433 19513 1072 1 8 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.448 -0.007 19513 1073 1 8 . 1 1 664 664 ASP C C 664 177.541 177.541 178.038 -0.497 19513 1074 1 8 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.052 -0.735 19513 1075 1 8 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.216 0.697 19513 1076 1 8 . 1 1 664 664 ASP H H 664 8.448 8.448 8.456 -0.008 19513 1077 1 8 . 1 1 665 665 SER N N 665 113.947 113.947 113.577 0.370 19513 1078 1 8 . 1 1 665 665 SER HA H 665 4.361 4.361 4.478 -0.117 19513 1079 1 8 . 1 1 665 665 SER C C 665 175.562 175.562 175.815 -0.253 19513 1080 1 8 . 1 1 665 665 SER CA C 665 60.048 60.048 59.176 0.872 19513 1081 1 8 . 1 1 665 665 SER CB C 665 63.503 63.503 63.667 -0.164 19513 1082 1 8 . 1 1 665 665 SER H H 665 7.921 7.921 7.762 0.159 19513 1083 1 8 . 1 1 666 666 TRP N N 666 122.464 122.464 123.504 -1.040 19513 1084 1 8 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.990 0.518 19513 1085 1 8 . 1 1 666 666 TRP C C 666 177.118 177.118 177.172 -0.054 19513 1086 1 8 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.460 -1.625 19513 1087 1 8 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.129 0.133 19513 1088 1 8 . 1 1 666 666 TRP H H 666 8.048 8.048 7.762 0.286 19513 1089 1 8 . 1 1 667 667 LYS N N 667 118.273 118.273 119.212 -0.939 19513 1090 1 8 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.813 0.118 19513 1091 1 8 . 1 1 667 667 LYS C C 667 178.186 178.186 178.694 -0.508 19513 1092 1 8 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.694 -0.230 19513 1093 1 8 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.390 0.954 19513 1094 1 8 . 1 1 667 667 LYS H H 667 7.876 7.876 7.772 0.104 19513 1095 1 8 . 1 1 668 668 ASN N N 668 116.883 116.883 118.136 -1.253 19513 1096 1 8 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.573 0.064 19513 1097 1 8 . 1 1 668 668 ASN C C 668 176.763 176.763 177.534 -0.771 19513 1098 1 8 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.485 -0.681 19513 1099 1 8 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.348 -0.104 19513 1100 1 8 . 1 1 668 668 ASN H H 668 8.117 8.117 7.754 0.363 19513 1101 1 8 . 1 1 669 669 LEU N N 669 121.093 121.093 121.573 -0.480 19513 1102 1 8 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.167 -0.162 19513 1103 1 8 . 1 1 669 669 LEU C C 669 177.519 177.519 178.126 -0.607 19513 1104 1 8 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.330 0.533 19513 1105 1 8 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.959 0.267 19513 1106 1 8 . 1 1 669 669 LEU H H 669 7.833 7.833 7.836 -0.003 19513 1107 1 8 . 1 1 670 670 TRP N N 670 116.959 116.959 119.208 -2.249 19513 1108 1 8 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.363 0.222 19513 1109 1 8 . 1 1 670 670 TRP C C 670 177.496 177.496 178.796 -1.300 19513 1110 1 8 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.121 -0.203 19513 1111 1 8 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.634 0.015 19513 1112 1 8 . 1 1 670 670 TRP H H 670 7.864 7.864 8.474 -0.610 19513 1113 1 8 . 1 1 671 671 SER N N 671 113.455 113.455 113.483 -0.028 19513 1114 1 8 . 1 1 671 671 SER HA H 671 4.253 4.253 4.445 -0.192 19513 1115 1 8 . 1 1 671 671 SER C C 671 175.562 175.562 175.982 -0.420 19513 1116 1 8 . 1 1 671 671 SER CA C 671 60.643 60.643 60.570 0.073 19513 1117 1 8 . 1 1 671 671 SER CB C 671 63.441 63.441 63.078 0.363 19513 1118 1 8 . 1 1 671 671 SER H H 671 7.950 7.950 8.135 -0.185 19513 1119 1 8 . 1 1 672 672 TRP N N 672 121.536 121.536 122.036 -0.500 19513 1120 1 8 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.485 -0.024 19513 1121 1 8 . 1 1 672 672 TRP C C 672 176.785 176.785 177.076 -0.291 19513 1122 1 8 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.134 -0.974 19513 1123 1 8 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.118 -0.663 19513 1124 1 8 . 1 1 672 672 TRP H H 672 7.895 7.895 7.734 0.161 19513 1125 1 8 . 1 1 673 673 PHE N N 673 118.414 118.414 118.958 -0.544 19513 1126 1 8 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.546 -0.265 19513 1127 1 8 . 1 1 673 673 PHE C C 673 175.473 175.473 175.683 -0.210 19513 1128 1 8 . 1 1 673 673 PHE CA C 673 59.193 59.193 58.459 0.734 19513 1129 1 8 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.274 2.101 19513 1130 1 8 . 1 1 673 673 PHE H H 673 7.942 7.942 7.870 0.072 19513 1131 1 8 . 1 1 674 674 SER N N 674 114.868 114.868 117.821 -2.953 19513 1132 1 8 . 1 1 674 674 SER HA H 674 4.362 4.362 4.646 -0.284 19513 1133 1 8 . 1 1 674 674 SER C C 674 175.273 175.273 175.433 -0.160 19513 1134 1 8 . 1 1 674 674 SER CA C 674 58.612 58.612 56.433 2.179 19513 1135 1 8 . 1 1 674 674 SER CB C 674 63.602 63.602 62.442 1.160 19513 1136 1 8 . 1 1 674 674 SER H H 674 7.698 7.698 8.398 -0.700 19513 1137 1 8 . 1 1 675 675 ILE N N 675 121.205 121.205 123.295 -2.090 19513 1138 1 8 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.100 -0.131 19513 1139 1 8 . 1 1 675 675 ILE C C 675 176.696 176.696 177.775 -1.079 19513 1140 1 8 . 1 1 675 675 ILE CA C 675 62.859 62.859 64.111 -1.252 19513 1141 1 8 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.305 1.111 19513 1142 1 8 . 1 1 675 675 ILE H H 675 8.067 8.067 7.517 0.550 19513 1143 1 8 . 1 1 676 676 THR N N 676 113.871 113.871 112.427 1.444 19513 1144 1 8 . 1 1 676 676 THR HA H 676 3.934 3.934 3.998 -0.064 19513 1145 1 8 . 1 1 676 676 THR C C 676 175.384 175.384 176.712 -1.328 19513 1146 1 8 . 1 1 676 676 THR CA C 676 64.588 64.588 65.995 -1.407 19513 1147 1 8 . 1 1 676 676 THR CB C 676 68.930 68.930 68.193 0.737 19513 1148 1 8 . 1 1 676 676 THR H H 676 7.819 7.819 8.646 -0.827 19513 1149 1 8 . 1 1 677 677 ASN N N 677 119.341 119.341 119.870 -0.529 19513 1150 1 8 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.620 -0.053 19513 1151 1 8 . 1 1 677 677 ASN C C 677 175.940 175.940 176.742 -0.802 19513 1152 1 8 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.187 -0.633 19513 1153 1 8 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.983 -0.862 19513 1154 1 8 . 1 1 677 677 ASN H H 677 7.989 7.989 8.077 -0.088 19513 1155 1 8 . 1 1 678 678 TRP N N 678 119.377 119.377 119.957 -0.580 19513 1156 1 8 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.622 -0.031 19513 1157 1 8 . 1 1 678 678 TRP C C 678 176.785 176.785 178.070 -1.285 19513 1158 1 8 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.163 -0.467 19513 1159 1 8 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.554 0.090 19513 1160 1 8 . 1 1 678 678 TRP H H 678 7.792 7.792 8.107 -0.315 19513 1161 1 8 . 1 1 679 679 LEU N N 679 117.934 117.934 120.045 -2.111 19513 1162 1 8 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.170 0.824 19513 1163 1 8 . 1 1 679 679 LEU C C 679 177.430 177.430 177.884 -0.454 19513 1164 1 8 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.581 0.168 19513 1165 1 8 . 1 1 679 679 LEU CB C 679 41.760 41.760 40.785 0.975 19513 1166 1 8 . 1 1 679 679 LEU H H 679 7.752 7.752 8.334 -0.582 19513 1167 1 8 . 1 1 680 680 TRP N N 680 117.268 117.268 119.828 -2.560 19513 1168 1 8 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.264 0.082 19513 1169 1 8 . 1 1 680 680 TRP C C 680 176.340 176.340 177.591 -1.251 19513 1170 1 8 . 1 1 680 680 TRP CA C 680 58.835 58.835 61.334 -2.499 19513 1171 1 8 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.264 -0.076 19513 1172 1 8 . 1 1 680 680 TRP H H 680 7.543 7.543 7.513 0.030 19513 1173 1 8 . 1 1 681 681 TYR N N 681 116.283 116.283 119.616 -3.333 19513 1174 1 8 . 1 1 681 681 TYR HA H 681 4.170 4.170 4.327 -0.157 19513 1175 1 8 . 1 1 681 681 TYR C C 681 175.607 175.607 176.362 -0.755 19513 1176 1 8 . 1 1 681 681 TYR CA C 681 59.670 59.670 60.306 -0.636 19513 1177 1 8 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.922 0.195 19513 1178 1 8 . 1 1 681 681 TYR H H 681 7.473 7.473 7.674 -0.201 19513 1179 1 8 . 1 1 682 682 ILE N N 682 115.196 115.196 112.625 2.571 19513 1180 1 8 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.111 0.074 19513 1181 1 8 . 1 1 682 682 ILE C C 682 174.317 174.317 176.518 -2.201 19513 1182 1 8 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.888 0.316 19513 1183 1 8 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.187 -0.292 19513 1184 1 8 . 1 1 682 682 ILE H H 682 7.483 7.483 7.277 0.206 19513 1185 1 9 . 1 1 658 658 LYS HA H 658 4.287 4.287 3.923 0.364 19513 1186 1 9 . 1 1 658 658 LYS C C 658 175.629 175.629 174.801 0.828 19513 1187 1 9 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.880 -0.235 19513 1188 1 9 . 1 1 658 658 LYS CB C 658 32.996 32.996 31.485 1.511 19513 1189 1 9 . 1 1 659 659 ASP N N 659 121.467 121.467 118.986 2.481 19513 1190 1 9 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.675 -0.077 19513 1191 1 9 . 1 1 659 659 ASP C C 659 176.474 176.474 176.639 -0.165 19513 1192 1 9 . 1 1 659 659 ASP CA C 659 54.221 54.221 54.016 0.205 19513 1193 1 9 . 1 1 659 659 ASP CB C 659 41.329 41.329 42.002 -0.673 19513 1194 1 9 . 1 1 659 659 ASP H H 659 8.348 8.348 8.267 0.081 19513 1195 1 9 . 1 1 660 660 LEU N N 660 123.085 123.085 120.917 2.168 19513 1196 1 9 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.446 -0.232 19513 1197 1 9 . 1 1 660 660 LEU C C 660 177.141 177.141 179.031 -1.890 19513 1198 1 9 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.395 0.105 19513 1199 1 9 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.525 -0.019 19513 1200 1 9 . 1 1 660 660 LEU H H 660 8.501 8.501 8.610 -0.109 19513 1201 1 9 . 1 1 661 661 LEU N N 661 118.555 118.555 120.711 -2.156 19513 1202 1 9 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.158 0.202 19513 1203 1 9 . 1 1 661 661 LEU C C 661 176.318 176.318 177.085 -0.767 19513 1204 1 9 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.868 -2.024 19513 1205 1 9 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.574 0.251 19513 1206 1 9 . 1 1 661 661 LEU H H 661 8.130 8.130 7.732 0.398 19513 1207 1 9 . 1 1 662 662 ALA N N 662 122.853 122.853 121.120 1.733 19513 1208 1 9 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.214 0.201 19513 1209 1 9 . 1 1 662 662 ALA C C 662 177.941 177.941 178.642 -0.701 19513 1210 1 9 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.643 -0.499 19513 1211 1 9 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.466 1.879 19513 1212 1 9 . 1 1 662 662 ALA H H 662 7.864 7.864 8.152 -0.288 19513 1213 1 9 . 1 1 663 663 LEU N N 663 121.303 121.303 125.026 -3.723 19513 1214 1 9 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.229 -0.030 19513 1215 1 9 . 1 1 663 663 LEU C C 663 177.963 177.963 177.391 0.572 19513 1216 1 9 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.911 -0.272 19513 1217 1 9 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.891 0.129 19513 1218 1 9 . 1 1 663 663 LEU H H 663 8.314 8.314 8.194 0.120 19513 1219 1 9 . 1 1 664 664 ASP N N 664 118.224 118.224 117.363 0.861 19513 1220 1 9 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.406 0.035 19513 1221 1 9 . 1 1 664 664 ASP C C 664 177.541 177.541 177.782 -0.241 19513 1222 1 9 . 1 1 664 664 ASP CA C 664 56.317 56.317 56.634 -0.317 19513 1223 1 9 . 1 1 664 664 ASP CB C 664 40.913 40.913 39.950 0.963 19513 1224 1 9 . 1 1 664 664 ASP H H 664 8.448 8.448 8.496 -0.048 19513 1225 1 9 . 1 1 665 665 SER N N 665 113.947 113.947 114.248 -0.301 19513 1226 1 9 . 1 1 665 665 SER HA H 665 4.361 4.361 4.482 -0.121 19513 1227 1 9 . 1 1 665 665 SER C C 665 175.562 175.562 175.487 0.075 19513 1228 1 9 . 1 1 665 665 SER CA C 665 60.048 60.048 59.639 0.409 19513 1229 1 9 . 1 1 665 665 SER CB C 665 63.503 63.503 63.728 -0.226 19513 1230 1 9 . 1 1 665 665 SER H H 665 7.921 7.921 7.888 0.033 19513 1231 1 9 . 1 1 666 666 TRP N N 666 122.464 122.464 123.679 -1.215 19513 1232 1 9 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.976 0.532 19513 1233 1 9 . 1 1 666 666 TRP C C 666 177.118 177.118 177.147 -0.029 19513 1234 1 9 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.854 -2.019 19513 1235 1 9 . 1 1 666 666 TRP CB C 666 29.262 29.262 28.840 0.422 19513 1236 1 9 . 1 1 666 666 TRP H H 666 8.048 8.048 7.776 0.272 19513 1237 1 9 . 1 1 667 667 LYS N N 667 118.273 118.273 118.503 -0.230 19513 1238 1 9 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.824 0.107 19513 1239 1 9 . 1 1 667 667 LYS C C 667 178.186 178.186 178.775 -0.589 19513 1240 1 9 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.980 -0.516 19513 1241 1 9 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.792 0.552 19513 1242 1 9 . 1 1 667 667 LYS H H 667 7.876 7.876 7.687 0.189 19513 1243 1 9 . 1 1 668 668 ASN N N 668 116.883 116.883 117.424 -0.541 19513 1244 1 9 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.540 0.097 19513 1245 1 9 . 1 1 668 668 ASN C C 668 176.763 176.763 177.577 -0.814 19513 1246 1 9 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.696 -0.891 19513 1247 1 9 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.600 -0.356 19513 1248 1 9 . 1 1 668 668 ASN H H 668 8.117 8.117 7.715 0.402 19513 1249 1 9 . 1 1 669 669 LEU N N 669 121.093 121.093 121.690 -0.597 19513 1250 1 9 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.124 -0.119 19513 1251 1 9 . 1 1 669 669 LEU C C 669 177.519 177.519 177.847 -0.328 19513 1252 1 9 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.329 0.534 19513 1253 1 9 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.885 0.341 19513 1254 1 9 . 1 1 669 669 LEU H H 669 7.833 7.833 7.811 0.022 19513 1255 1 9 . 1 1 670 670 TRP N N 670 116.959 116.959 119.229 -2.270 19513 1256 1 9 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.284 0.301 19513 1257 1 9 . 1 1 670 670 TRP C C 670 177.496 177.496 179.199 -1.703 19513 1258 1 9 . 1 1 670 670 TRP CA C 670 58.918 58.918 58.976 -0.058 19513 1259 1 9 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.644 0.006 19513 1260 1 9 . 1 1 670 670 TRP H H 670 7.864 7.864 8.382 -0.518 19513 1261 1 9 . 1 1 671 671 SER N N 671 113.455 113.455 114.418 -0.963 19513 1262 1 9 . 1 1 671 671 SER HA H 671 4.253 4.253 4.391 -0.138 19513 1263 1 9 . 1 1 671 671 SER C C 671 175.562 175.562 175.763 -0.201 19513 1264 1 9 . 1 1 671 671 SER CA C 671 60.643 60.643 60.771 -0.128 19513 1265 1 9 . 1 1 671 671 SER CB C 671 63.441 63.441 63.147 0.294 19513 1266 1 9 . 1 1 671 671 SER H H 671 7.950 7.950 8.162 -0.212 19513 1267 1 9 . 1 1 672 672 TRP N N 672 121.536 121.536 120.058 1.478 19513 1268 1 9 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.524 -0.063 19513 1269 1 9 . 1 1 672 672 TRP C C 672 176.785 176.785 177.815 -1.030 19513 1270 1 9 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.117 -0.957 19513 1271 1 9 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.066 -0.611 19513 1272 1 9 . 1 1 672 672 TRP H H 672 7.895 7.895 7.630 0.265 19513 1273 1 9 . 1 1 673 673 PHE N N 673 118.414 118.414 119.157 -0.743 19513 1274 1 9 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.567 -0.286 19513 1275 1 9 . 1 1 673 673 PHE C C 673 175.473 175.473 175.519 -0.046 19513 1276 1 9 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.913 1.280 19513 1277 1 9 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.212 2.163 19513 1278 1 9 . 1 1 673 673 PHE H H 673 7.942 7.942 7.907 0.035 19513 1279 1 9 . 1 1 674 674 SER N N 674 114.868 114.868 117.392 -2.524 19513 1280 1 9 . 1 1 674 674 SER HA H 674 4.362 4.362 4.622 -0.260 19513 1281 1 9 . 1 1 674 674 SER C C 674 175.273 175.273 175.763 -0.490 19513 1282 1 9 . 1 1 674 674 SER CA C 674 58.612 58.612 56.426 2.186 19513 1283 1 9 . 1 1 674 674 SER CB C 674 63.602 63.602 62.424 1.178 19513 1284 1 9 . 1 1 674 674 SER H H 674 7.698 7.698 8.262 -0.564 19513 1285 1 9 . 1 1 675 675 ILE N N 675 121.205 121.205 123.376 -2.171 19513 1286 1 9 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.053 -0.084 19513 1287 1 9 . 1 1 675 675 ILE C C 675 176.696 176.696 177.568 -0.872 19513 1288 1 9 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.700 -0.841 19513 1289 1 9 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.249 1.167 19513 1290 1 9 . 1 1 675 675 ILE H H 675 8.067 8.067 7.452 0.615 19513 1291 1 9 . 1 1 676 676 THR N N 676 113.871 113.871 113.756 0.115 19513 1292 1 9 . 1 1 676 676 THR HA H 676 3.934 3.934 3.958 -0.024 19513 1293 1 9 . 1 1 676 676 THR C C 676 175.384 175.384 176.750 -1.366 19513 1294 1 9 . 1 1 676 676 THR CA C 676 64.588 64.588 65.882 -1.294 19513 1295 1 9 . 1 1 676 676 THR CB C 676 68.930 68.930 68.333 0.597 19513 1296 1 9 . 1 1 676 676 THR H H 676 7.819 7.819 8.587 -0.768 19513 1297 1 9 . 1 1 677 677 ASN N N 677 119.341 119.341 119.143 0.198 19513 1298 1 9 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.740 -0.173 19513 1299 1 9 . 1 1 677 677 ASN C C 677 175.940 175.940 177.047 -1.107 19513 1300 1 9 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.738 -1.184 19513 1301 1 9 . 1 1 677 677 ASN CB C 677 38.121 38.121 39.144 -1.023 19513 1302 1 9 . 1 1 677 677 ASN H H 677 7.989 7.989 8.130 -0.141 19513 1303 1 9 . 1 1 678 678 TRP N N 678 119.377 119.377 119.913 -0.536 19513 1304 1 9 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.626 -0.035 19513 1305 1 9 . 1 1 678 678 TRP C C 678 176.785 176.785 177.826 -1.041 19513 1306 1 9 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.243 -0.547 19513 1307 1 9 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.714 -0.070 19513 1308 1 9 . 1 1 678 678 TRP H H 678 7.792 7.792 8.231 -0.439 19513 1309 1 9 . 1 1 679 679 LEU N N 679 117.934 117.934 120.163 -2.229 19513 1310 1 9 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.227 0.767 19513 1311 1 9 . 1 1 679 679 LEU C C 679 177.430 177.430 177.668 -0.238 19513 1312 1 9 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.343 0.407 19513 1313 1 9 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.412 0.348 19513 1314 1 9 . 1 1 679 679 LEU H H 679 7.752 7.752 8.354 -0.602 19513 1315 1 9 . 1 1 680 680 TRP N N 680 117.268 117.268 120.215 -2.947 19513 1316 1 9 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.298 0.048 19513 1317 1 9 . 1 1 680 680 TRP C C 680 176.340 176.340 176.487 -0.147 19513 1318 1 9 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.484 -0.649 19513 1319 1 9 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.186 0.002 19513 1320 1 9 . 1 1 680 680 TRP H H 680 7.543 7.543 7.716 -0.173 19513 1321 1 9 . 1 1 681 681 TYR N N 681 116.283 116.283 120.045 -3.762 19513 1322 1 9 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.354 0.816 19513 1323 1 9 . 1 1 681 681 TYR C C 681 175.607 175.607 175.762 -0.155 19513 1324 1 9 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.716 -0.046 19513 1325 1 9 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.940 0.177 19513 1326 1 9 . 1 1 681 681 TYR H H 681 7.473 7.473 7.309 0.164 19513 1327 1 9 . 1 1 682 682 ILE N N 682 115.196 115.196 112.434 2.762 19513 1328 1 9 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.055 0.130 19513 1329 1 9 . 1 1 682 682 ILE C C 682 174.317 174.317 176.305 -1.988 19513 1330 1 9 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.835 0.369 19513 1331 1 9 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.048 -0.153 19513 1332 1 9 . 1 1 682 682 ILE H H 682 7.483 7.483 7.079 0.404 19513 1333 1 10 . 1 1 658 658 LYS HA H 658 4.287 4.287 4.533 -0.246 19513 1334 1 10 . 1 1 658 658 LYS C C 658 175.629 175.629 175.648 -0.019 19513 1335 1 10 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.035 0.610 19513 1336 1 10 . 1 1 658 658 LYS CB C 658 32.996 32.996 34.171 -1.175 19513 1337 1 10 . 1 1 659 659 ASP N N 659 121.467 121.467 121.065 0.402 19513 1338 1 10 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.672 -0.074 19513 1339 1 10 . 1 1 659 659 ASP C C 659 176.474 176.474 176.875 -0.401 19513 1340 1 10 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.811 0.410 19513 1341 1 10 . 1 1 659 659 ASP CB C 659 41.329 41.329 41.991 -0.662 19513 1342 1 10 . 1 1 659 659 ASP H H 659 8.348 8.348 8.430 -0.082 19513 1343 1 10 . 1 1 660 660 LEU N N 660 123.085 123.085 119.051 4.034 19513 1344 1 10 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.365 -0.151 19513 1345 1 10 . 1 1 660 660 LEU C C 660 177.141 177.141 178.840 -1.699 19513 1346 1 10 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.048 0.452 19513 1347 1 10 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.301 0.205 19513 1348 1 10 . 1 1 660 660 LEU H H 660 8.501 8.501 8.298 0.203 19513 1349 1 10 . 1 1 661 661 LEU N N 661 118.555 118.555 121.107 -2.552 19513 1350 1 10 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.175 0.185 19513 1351 1 10 . 1 1 661 661 LEU C C 661 176.318 176.318 177.256 -0.938 19513 1352 1 10 . 1 1 661 661 LEU CA C 661 54.844 54.844 57.023 -2.179 19513 1353 1 10 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.801 0.024 19513 1354 1 10 . 1 1 661 661 LEU H H 661 8.130 8.130 7.599 0.531 19513 1355 1 10 . 1 1 662 662 ALA N N 662 122.853 122.853 120.798 2.055 19513 1356 1 10 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.254 0.161 19513 1357 1 10 . 1 1 662 662 ALA C C 662 177.941 177.941 178.518 -0.577 19513 1358 1 10 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.730 -0.586 19513 1359 1 10 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.664 1.682 19513 1360 1 10 . 1 1 662 662 ALA H H 662 7.864 7.864 8.095 -0.231 19513 1361 1 10 . 1 1 663 663 LEU N N 663 121.303 121.303 125.816 -4.513 19513 1362 1 10 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.255 -0.056 19513 1363 1 10 . 1 1 663 663 LEU C C 663 177.963 177.963 178.072 -0.109 19513 1364 1 10 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.928 -0.289 19513 1365 1 10 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.900 0.120 19513 1366 1 10 . 1 1 663 663 LEU H H 663 8.314 8.314 8.313 0.001 19513 1367 1 10 . 1 1 664 664 ASP N N 664 118.224 118.224 119.001 -0.777 19513 1368 1 10 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.450 -0.009 19513 1369 1 10 . 1 1 664 664 ASP C C 664 177.541 177.541 177.987 -0.446 19513 1370 1 10 . 1 1 664 664 ASP CA C 664 56.317 56.317 56.957 -0.640 19513 1371 1 10 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.531 0.382 19513 1372 1 10 . 1 1 664 664 ASP H H 664 8.448 8.448 8.388 0.060 19513 1373 1 10 . 1 1 665 665 SER N N 665 113.947 113.947 113.669 0.278 19513 1374 1 10 . 1 1 665 665 SER HA H 665 4.361 4.361 4.469 -0.108 19513 1375 1 10 . 1 1 665 665 SER C C 665 175.562 175.562 176.196 -0.634 19513 1376 1 10 . 1 1 665 665 SER CA C 665 60.048 60.048 59.141 0.907 19513 1377 1 10 . 1 1 665 665 SER CB C 665 63.503 63.503 63.642 -0.140 19513 1378 1 10 . 1 1 665 665 SER H H 665 7.921 7.921 7.790 0.132 19513 1379 1 10 . 1 1 666 666 TRP N N 666 122.464 122.464 123.500 -1.036 19513 1380 1 10 . 1 1 666 666 TRP HA H 666 4.508 4.508 3.974 0.534 19513 1381 1 10 . 1 1 666 666 TRP C C 666 177.118 177.118 177.337 -0.219 19513 1382 1 10 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.546 -1.711 19513 1383 1 10 . 1 1 666 666 TRP CB C 666 29.262 29.262 28.947 0.315 19513 1384 1 10 . 1 1 666 666 TRP H H 666 8.048 8.048 7.718 0.330 19513 1385 1 10 . 1 1 667 667 LYS N N 667 118.273 118.273 118.500 -0.227 19513 1386 1 10 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.825 0.106 19513 1387 1 10 . 1 1 667 667 LYS C C 667 178.186 178.186 178.787 -0.601 19513 1388 1 10 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.970 -0.506 19513 1389 1 10 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.777 0.567 19513 1390 1 10 . 1 1 667 667 LYS H H 667 7.876 7.876 7.669 0.207 19513 1391 1 10 . 1 1 668 668 ASN N N 668 116.883 116.883 117.333 -0.450 19513 1392 1 10 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.568 0.069 19513 1393 1 10 . 1 1 668 668 ASN C C 668 176.763 176.763 177.598 -0.835 19513 1394 1 10 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.708 -0.904 19513 1395 1 10 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.637 -0.393 19513 1396 1 10 . 1 1 668 668 ASN H H 668 8.117 8.117 7.692 0.425 19513 1397 1 10 . 1 1 669 669 LEU N N 669 121.093 121.093 121.545 -0.452 19513 1398 1 10 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.183 -0.178 19513 1399 1 10 . 1 1 669 669 LEU C C 669 177.519 177.519 178.100 -0.581 19513 1400 1 10 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.286 0.577 19513 1401 1 10 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.926 0.300 19513 1402 1 10 . 1 1 669 669 LEU H H 669 7.833 7.833 7.792 0.041 19513 1403 1 10 . 1 1 670 670 TRP N N 670 116.959 116.959 119.304 -2.345 19513 1404 1 10 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.306 0.279 19513 1405 1 10 . 1 1 670 670 TRP C C 670 177.496 177.496 179.035 -1.539 19513 1406 1 10 . 1 1 670 670 TRP CA C 670 58.918 58.918 58.986 -0.068 19513 1407 1 10 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.626 0.024 19513 1408 1 10 . 1 1 670 670 TRP H H 670 7.864 7.864 8.374 -0.510 19513 1409 1 10 . 1 1 671 671 SER N N 671 113.455 113.455 113.826 -0.371 19513 1410 1 10 . 1 1 671 671 SER HA H 671 4.253 4.253 4.449 -0.196 19513 1411 1 10 . 1 1 671 671 SER C C 671 175.562 175.562 175.975 -0.413 19513 1412 1 10 . 1 1 671 671 SER CA C 671 60.643 60.643 60.934 -0.291 19513 1413 1 10 . 1 1 671 671 SER CB C 671 63.441 63.441 63.155 0.286 19513 1414 1 10 . 1 1 671 671 SER H H 671 7.950 7.950 8.155 -0.205 19513 1415 1 10 . 1 1 672 672 TRP N N 672 121.536 121.536 121.792 -0.256 19513 1416 1 10 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.516 -0.056 19513 1417 1 10 . 1 1 672 672 TRP C C 672 176.785 176.785 176.447 0.338 19513 1418 1 10 . 1 1 672 672 TRP CA C 672 59.160 59.160 59.997 -0.837 19513 1419 1 10 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.205 -0.750 19513 1420 1 10 . 1 1 672 672 TRP H H 672 7.895 7.895 7.674 0.221 19513 1421 1 10 . 1 1 673 673 PHE N N 673 118.414 118.414 119.512 -1.098 19513 1422 1 10 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.630 -0.349 19513 1423 1 10 . 1 1 673 673 PHE C C 673 175.473 175.473 175.638 -0.165 19513 1424 1 10 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.555 1.638 19513 1425 1 10 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.920 1.455 19513 1426 1 10 . 1 1 673 673 PHE H H 673 7.942 7.942 7.925 0.017 19513 1427 1 10 . 1 1 674 674 SER N N 674 114.868 114.868 119.395 -4.527 19513 1428 1 10 . 1 1 674 674 SER HA H 674 4.362 4.362 4.671 -0.309 19513 1429 1 10 . 1 1 674 674 SER C C 674 175.273 175.273 175.586 -0.313 19513 1430 1 10 . 1 1 674 674 SER CA C 674 58.612 58.612 56.811 1.801 19513 1431 1 10 . 1 1 674 674 SER CB C 674 63.602 63.602 63.047 0.555 19513 1432 1 10 . 1 1 674 674 SER H H 674 7.698 7.698 8.238 -0.540 19513 1433 1 10 . 1 1 675 675 ILE N N 675 121.205 121.205 124.773 -3.568 19513 1434 1 10 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.154 -0.185 19513 1435 1 10 . 1 1 675 675 ILE C C 675 176.696 176.696 177.676 -0.980 19513 1436 1 10 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.315 -0.456 19513 1437 1 10 . 1 1 675 675 ILE CB C 675 38.416 38.416 36.985 1.431 19513 1438 1 10 . 1 1 675 675 ILE H H 675 8.067 8.067 7.535 0.532 19513 1439 1 10 . 1 1 676 676 THR N N 676 113.871 113.871 113.783 0.088 19513 1440 1 10 . 1 1 676 676 THR HA H 676 3.934 3.934 3.974 -0.040 19513 1441 1 10 . 1 1 676 676 THR C C 676 175.384 175.384 176.690 -1.306 19513 1442 1 10 . 1 1 676 676 THR CA C 676 64.588 64.588 66.322 -1.734 19513 1443 1 10 . 1 1 676 676 THR CB C 676 68.930 68.930 68.805 0.125 19513 1444 1 10 . 1 1 676 676 THR H H 676 7.819 7.819 8.627 -0.808 19513 1445 1 10 . 1 1 677 677 ASN N N 677 119.341 119.341 119.138 0.203 19513 1446 1 10 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.782 -0.215 19513 1447 1 10 . 1 1 677 677 ASN C C 677 175.940 175.940 176.971 -1.031 19513 1448 1 10 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.161 -0.607 19513 1449 1 10 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.876 -0.755 19513 1450 1 10 . 1 1 677 677 ASN H H 677 7.989 7.989 8.035 -0.046 19513 1451 1 10 . 1 1 678 678 TRP N N 678 119.377 119.377 119.549 -0.172 19513 1452 1 10 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.658 -0.067 19513 1453 1 10 . 1 1 678 678 TRP C C 678 176.785 176.785 177.863 -1.078 19513 1454 1 10 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.040 -0.344 19513 1455 1 10 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.777 -0.133 19513 1456 1 10 . 1 1 678 678 TRP H H 678 7.792 7.792 8.224 -0.432 19513 1457 1 10 . 1 1 679 679 LEU N N 679 117.934 117.934 120.203 -2.269 19513 1458 1 10 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.233 0.761 19513 1459 1 10 . 1 1 679 679 LEU C C 679 177.430 177.430 177.678 -0.248 19513 1460 1 10 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.402 0.348 19513 1461 1 10 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.400 0.360 19513 1462 1 10 . 1 1 679 679 LEU H H 679 7.752 7.752 8.394 -0.642 19513 1463 1 10 . 1 1 680 680 TRP N N 680 117.268 117.268 120.295 -3.027 19513 1464 1 10 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.301 0.045 19513 1465 1 10 . 1 1 680 680 TRP C C 680 176.340 176.340 176.508 -0.168 19513 1466 1 10 . 1 1 680 680 TRP CA C 680 58.835 58.835 59.598 -0.763 19513 1467 1 10 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.178 0.010 19513 1468 1 10 . 1 1 680 680 TRP H H 680 7.543 7.543 7.756 -0.213 19513 1469 1 10 . 1 1 681 681 TYR N N 681 116.283 116.283 120.102 -3.819 19513 1470 1 10 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.369 0.801 19513 1471 1 10 . 1 1 681 681 TYR C C 681 175.607 175.607 175.748 -0.141 19513 1472 1 10 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.732 -0.062 19513 1473 1 10 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.981 0.136 19513 1474 1 10 . 1 1 681 681 TYR H H 681 7.473 7.473 7.327 0.146 19513 1475 1 10 . 1 1 682 682 ILE N N 682 115.196 115.196 112.291 2.905 19513 1476 1 10 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.023 0.162 19513 1477 1 10 . 1 1 682 682 ILE C C 682 174.317 174.317 176.542 -2.225 19513 1478 1 10 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.973 0.231 19513 1479 1 10 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.225 -0.330 19513 1480 1 10 . 1 1 682 682 ILE H H 682 7.483 7.483 7.040 0.443 19513 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 24 2.182 0.988 1.988 19513 2 1 1 "Average Difference" HA 25 0.244 0.041 0.245 19513 3 1 1 "Average Difference" C 25 0.945 0.614 0.733 19513 4 1 1 "Average Difference" CA 25 1.135 0.398 1.085 19513 5 1 1 "Average Difference" CB 25 0.701 -0.312 0.641 19513 6 1 1 "Average Difference" HN 24 0.377 0.075 0.377 19513 7 1 2 "Average Difference" N 24 2.679 0.961 2.554 19513 8 1 2 "Average Difference" HA 25 0.287 -0.040 0.290 19513 9 1 2 "Average Difference" C 25 0.850 0.544 0.667 19513 10 1 2 "Average Difference" CA 25 0.914 0.417 0.830 19513 11 1 2 "Average Difference" CB 25 0.633 -0.292 0.573 19513 12 1 2 "Average Difference" HN 24 0.429 0.108 0.424 19513 13 1 3 "Average Difference" N 24 2.089 0.805 1.969 19513 14 1 3 "Average Difference" HA 25 0.255 -0.039 0.257 19513 15 1 3 "Average Difference" C 25 0.976 0.711 0.683 19513 16 1 3 "Average Difference" CA 25 1.047 0.520 0.928 19513 17 1 3 "Average Difference" CB 25 0.807 -0.388 0.722 19513 18 1 3 "Average Difference" HN 24 0.358 0.056 0.361 19513 19 1 4 "Average Difference" N 24 2.414 0.709 2.357 19513 20 1 4 "Average Difference" HA 25 0.293 -0.059 0.293 19513 21 1 4 "Average Difference" C 25 0.843 0.503 0.691 19513 22 1 4 "Average Difference" CA 25 1.006 0.326 0.971 19513 23 1 4 "Average Difference" CB 25 0.792 -0.397 0.700 19513 24 1 4 "Average Difference" HN 24 0.385 0.036 0.391 19513 25 1 5 "Average Difference" N 24 2.537 0.947 2.405 19513 26 1 5 "Average Difference" HA 25 0.254 0.014 0.259 19513 27 1 5 "Average Difference" C 25 0.885 0.665 0.596 19513 28 1 5 "Average Difference" CA 25 0.984 0.481 0.876 19513 29 1 5 "Average Difference" CB 25 0.682 -0.234 0.654 19513 30 1 5 "Average Difference" HN 24 0.395 0.102 0.390 19513 31 1 6 "Average Difference" N 24 2.125 0.562 2.094 19513 32 1 6 "Average Difference" HA 25 0.292 -0.047 0.294 19513 33 1 6 "Average Difference" C 25 0.960 0.598 0.767 19513 34 1 6 "Average Difference" CA 25 0.937 0.182 0.938 19513 35 1 6 "Average Difference" CB 25 0.791 -0.280 0.755 19513 36 1 6 "Average Difference" HN 24 0.344 0.024 0.351 19513 37 1 7 "Average Difference" N 24 2.728 1.143 2.530 19513 38 1 7 "Average Difference" HA 25 0.291 -0.050 0.293 19513 39 1 7 "Average Difference" C 25 0.840 0.552 0.647 19513 40 1 7 "Average Difference" CA 25 0.853 0.349 0.794 19513 41 1 7 "Average Difference" CB 25 0.727 -0.271 0.688 19513 42 1 7 "Average Difference" HN 24 0.410 0.117 0.402 19513 43 1 8 "Average Difference" N 24 1.978 0.772 1.861 19513 44 1 8 "Average Difference" HA 25 0.246 -0.006 0.251 19513 45 1 8 "Average Difference" C 25 0.951 0.715 0.640 19513 46 1 8 "Average Difference" CA 25 1.062 0.327 1.031 19513 47 1 8 "Average Difference" CB 25 0.801 -0.298 0.759 19513 48 1 8 "Average Difference" HN 24 0.346 0.064 0.347 19513 49 1 9 "Average Difference" N 24 1.948 0.630 1.883 19513 50 1 9 "Average Difference" HA 25 0.295 -0.078 0.291 19513 51 1 9 "Average Difference" C 25 0.897 0.577 0.700 19513 52 1 9 "Average Difference" CA 25 0.946 0.279 0.923 19513 53 1 9 "Average Difference" CB 25 0.837 -0.354 0.774 19513 54 1 9 "Average Difference" HN 24 0.355 0.036 0.360 19513 55 1 10 "Average Difference" N 24 2.303 0.896 2.167 19513 56 1 10 "Average Difference" HA 25 0.295 -0.035 0.299 19513 57 1 10 "Average Difference" C 25 0.873 0.653 0.591 19513 58 1 10 "Average Difference" CA 25 0.952 0.200 0.950 19513 59 1 10 "Average Difference" CB 25 0.679 -0.146 0.676 19513 60 1 10 "Average Difference" HN 24 0.364 0.018 0.371 19513 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 19513 _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 1 658 658 LYS HA H 658 4.287 4.287 4.316 -0.029 19513 2 1 . 1 1 658 658 LYS C C 658 175.629 175.629 175.257 0.372 19513 3 1 . 1 1 658 658 LYS CA C 658 56.645 56.645 56.230 0.415 19513 4 1 . 1 1 658 658 LYS CB C 658 32.996 32.996 32.591 0.406 19513 5 1 . 1 1 659 659 ASP N N 659 121.467 121.467 120.530 0.937 19513 6 1 . 1 1 659 659 ASP HA H 659 4.598 4.598 4.661 -0.063 19513 7 1 . 1 1 659 659 ASP C C 659 176.474 176.474 176.706 -0.232 19513 8 1 . 1 1 659 659 ASP CA C 659 54.221 54.221 53.821 0.400 19513 9 1 . 1 1 659 659 ASP CB C 659 41.329 41.329 42.001 -0.672 19513 10 1 . 1 1 659 659 ASP H H 659 8.348 8.348 8.173 0.175 19513 11 1 . 1 1 660 660 LEU N N 660 123.085 123.085 120.176 2.909 19513 12 1 . 1 1 660 660 LEU HA H 660 4.214 4.214 4.436 -0.222 19513 13 1 . 1 1 660 660 LEU C C 660 177.141 177.141 179.092 -1.951 19513 14 1 . 1 1 660 660 LEU CA C 660 56.500 56.500 56.824 -0.324 19513 15 1 . 1 1 660 660 LEU CB C 660 42.506 42.506 42.228 0.278 19513 16 1 . 1 1 660 660 LEU H H 660 8.501 8.501 8.301 0.200 19513 17 1 . 1 1 661 661 LEU N N 661 118.555 118.555 120.891 -2.336 19513 18 1 . 1 1 661 661 LEU HA H 661 4.360 4.360 4.214 0.147 19513 19 1 . 1 1 661 661 LEU C C 661 176.318 176.318 177.276 -0.958 19513 20 1 . 1 1 661 661 LEU CA C 661 54.844 54.844 56.769 -1.925 19513 21 1 . 1 1 661 661 LEU CB C 661 41.825 41.825 41.579 0.246 19513 22 1 . 1 1 661 661 LEU H H 661 8.130 8.130 7.858 0.272 19513 23 1 . 1 1 662 662 ALA N N 662 122.853 122.853 120.877 1.976 19513 24 1 . 1 1 662 662 ALA HA H 662 4.415 4.415 4.222 0.193 19513 25 1 . 1 1 662 662 ALA C C 662 177.941 177.941 178.563 -0.622 19513 26 1 . 1 1 662 662 ALA CA C 662 52.144 52.144 52.586 -0.442 19513 27 1 . 1 1 662 662 ALA CB C 662 19.346 19.346 17.607 1.738 19513 28 1 . 1 1 662 662 ALA H H 662 7.864 7.864 8.134 -0.270 19513 29 1 . 1 1 663 663 LEU N N 663 121.303 121.303 125.525 -4.222 19513 30 1 . 1 1 663 663 LEU HA H 663 4.199 4.199 4.284 -0.085 19513 31 1 . 1 1 663 663 LEU C C 663 177.963 177.963 177.673 0.290 19513 32 1 . 1 1 663 663 LEU CA C 663 56.639 56.639 56.987 -0.348 19513 33 1 . 1 1 663 663 LEU CB C 663 42.020 42.020 41.924 0.096 19513 34 1 . 1 1 663 663 LEU H H 663 8.314 8.314 8.278 0.036 19513 35 1 . 1 1 664 664 ASP N N 664 118.224 118.224 118.269 -0.045 19513 36 1 . 1 1 664 664 ASP HA H 664 4.441 4.441 4.449 -0.008 19513 37 1 . 1 1 664 664 ASP C C 664 177.541 177.541 178.034 -0.493 19513 38 1 . 1 1 664 664 ASP CA C 664 56.317 56.317 57.006 -0.689 19513 39 1 . 1 1 664 664 ASP CB C 664 40.913 40.913 40.205 0.708 19513 40 1 . 1 1 664 664 ASP H H 664 8.448 8.448 8.554 -0.106 19513 41 1 . 1 1 665 665 SER N N 665 113.947 113.947 114.021 -0.074 19513 42 1 . 1 1 665 665 SER HA H 665 4.361 4.361 4.490 -0.129 19513 43 1 . 1 1 665 665 SER C C 665 175.562 175.562 175.457 0.105 19513 44 1 . 1 1 665 665 SER CA C 665 60.048 60.048 59.511 0.536 19513 45 1 . 1 1 665 665 SER CB C 665 63.503 63.503 63.585 -0.082 19513 46 1 . 1 1 665 665 SER H H 665 7.921 7.921 7.813 0.108 19513 47 1 . 1 1 666 666 TRP N N 666 122.464 122.464 123.480 -1.016 19513 48 1 . 1 1 666 666 TRP HA H 666 4.508 4.508 4.010 0.498 19513 49 1 . 1 1 666 666 TRP C C 666 177.118 177.118 177.260 -0.142 19513 50 1 . 1 1 666 666 TRP CA C 666 58.835 58.835 60.718 -1.883 19513 51 1 . 1 1 666 666 TRP CB C 666 29.262 29.262 29.113 0.149 19513 52 1 . 1 1 666 666 TRP H H 666 8.048 8.048 7.804 0.244 19513 53 1 . 1 1 667 667 LYS N N 667 118.273 118.273 118.838 -0.565 19513 54 1 . 1 1 667 667 LYS HA H 667 3.931 3.931 3.878 0.053 19513 55 1 . 1 1 667 667 LYS C C 667 178.186 178.186 178.732 -0.546 19513 56 1 . 1 1 667 667 LYS CA C 667 59.464 59.464 59.955 -0.491 19513 57 1 . 1 1 667 667 LYS CB C 667 32.344 32.344 31.658 0.686 19513 58 1 . 1 1 667 667 LYS H H 667 7.876 7.876 7.764 0.112 19513 59 1 . 1 1 668 668 ASN N N 668 116.883 116.883 117.504 -0.621 19513 60 1 . 1 1 668 668 ASN HA H 668 4.637 4.637 4.553 0.084 19513 61 1 . 1 1 668 668 ASN C C 668 176.763 176.763 177.545 -0.782 19513 62 1 . 1 1 668 668 ASN CA C 668 54.804 54.804 55.667 -0.863 19513 63 1 . 1 1 668 668 ASN CB C 668 38.244 38.244 38.411 -0.167 19513 64 1 . 1 1 668 668 ASN H H 668 8.117 8.117 7.775 0.342 19513 65 1 . 1 1 669 669 LEU N N 669 121.093 121.093 121.628 -0.535 19513 66 1 . 1 1 669 669 LEU HA H 669 4.005 4.005 4.123 -0.118 19513 67 1 . 1 1 669 669 LEU C C 669 177.519 177.519 177.835 -0.316 19513 68 1 . 1 1 669 669 LEU CA C 669 57.863 57.863 57.326 0.537 19513 69 1 . 1 1 669 669 LEU CB C 669 42.226 42.226 41.734 0.492 19513 70 1 . 1 1 669 669 LEU H H 669 7.833 7.833 7.824 0.009 19513 71 1 . 1 1 670 670 TRP N N 670 116.959 116.959 119.261 -2.302 19513 72 1 . 1 1 670 670 TRP HA H 670 4.585 4.585 4.407 0.178 19513 73 1 . 1 1 670 670 TRP C C 670 177.496 177.496 178.756 -1.259 19513 74 1 . 1 1 670 670 TRP CA C 670 58.918 58.918 59.174 -0.256 19513 75 1 . 1 1 670 670 TRP CB C 670 29.650 29.650 29.655 -0.005 19513 76 1 . 1 1 670 670 TRP H H 670 7.864 7.864 8.463 -0.599 19513 77 1 . 1 1 671 671 SER N N 671 113.455 113.455 113.233 0.222 19513 78 1 . 1 1 671 671 SER HA H 671 4.253 4.253 4.419 -0.166 19513 79 1 . 1 1 671 671 SER C C 671 175.562 175.562 175.817 -0.255 19513 80 1 . 1 1 671 671 SER CA C 671 60.643 60.643 60.953 -0.310 19513 81 1 . 1 1 671 671 SER CB C 671 63.441 63.441 63.197 0.244 19513 82 1 . 1 1 671 671 SER H H 671 7.950 7.950 8.082 -0.132 19513 83 1 . 1 1 672 672 TRP N N 672 121.536 121.536 121.459 0.077 19513 84 1 . 1 1 672 672 TRP HA H 672 4.461 4.461 4.443 0.018 19513 85 1 . 1 1 672 672 TRP C C 672 176.785 176.785 177.287 -0.502 19513 86 1 . 1 1 672 672 TRP CA C 672 59.160 59.160 60.235 -1.075 19513 87 1 . 1 1 672 672 TRP CB C 672 29.455 29.455 30.015 -0.560 19513 88 1 . 1 1 672 672 TRP H H 672 7.895 7.895 7.624 0.271 19513 89 1 . 1 1 673 673 PHE N N 673 118.414 118.414 119.199 -0.785 19513 90 1 . 1 1 673 673 PHE HA H 673 4.281 4.281 4.620 -0.339 19513 91 1 . 1 1 673 673 PHE C C 673 175.473 175.473 175.811 -0.338 19513 92 1 . 1 1 673 673 PHE CA C 673 59.193 59.193 57.917 1.276 19513 93 1 . 1 1 673 673 PHE CB C 673 39.375 39.375 37.897 1.478 19513 94 1 . 1 1 673 673 PHE H H 673 7.942 7.942 7.998 -0.056 19513 95 1 . 1 1 674 674 SER N N 674 114.868 114.868 119.932 -5.064 19513 96 1 . 1 1 674 674 SER HA H 674 4.362 4.362 4.642 -0.280 19513 97 1 . 1 1 674 674 SER C C 674 175.273 175.273 175.468 -0.195 19513 98 1 . 1 1 674 674 SER CA C 674 58.612 58.612 57.091 1.521 19513 99 1 . 1 1 674 674 SER CB C 674 63.602 63.602 62.482 1.120 19513 100 1 . 1 1 674 674 SER H H 674 7.698 7.698 8.429 -0.731 19513 101 1 . 1 1 675 675 ILE N N 675 121.205 121.205 123.930 -2.725 19513 102 1 . 1 1 675 675 ILE HA H 675 3.969 3.969 4.125 -0.156 19513 103 1 . 1 1 675 675 ILE C C 675 176.696 176.696 177.567 -0.871 19513 104 1 . 1 1 675 675 ILE CA C 675 62.859 62.859 63.634 -0.775 19513 105 1 . 1 1 675 675 ILE CB C 675 38.416 38.416 37.194 1.222 19513 106 1 . 1 1 675 675 ILE H H 675 8.067 8.067 7.732 0.335 19513 107 1 . 1 1 676 676 THR N N 676 113.871 113.871 113.280 0.591 19513 108 1 . 1 1 676 676 THR HA H 676 3.934 3.934 3.957 -0.023 19513 109 1 . 1 1 676 676 THR C C 676 175.384 175.384 176.684 -1.300 19513 110 1 . 1 1 676 676 THR CA C 676 64.588 64.588 66.095 -1.507 19513 111 1 . 1 1 676 676 THR CB C 676 68.930 68.930 68.428 0.502 19513 112 1 . 1 1 676 676 THR H H 676 7.819 7.819 8.620 -0.801 19513 113 1 . 1 1 677 677 ASN N N 677 119.341 119.341 119.327 0.014 19513 114 1 . 1 1 677 677 ASN HA H 677 4.567 4.567 4.725 -0.158 19513 115 1 . 1 1 677 677 ASN C C 677 175.940 175.940 176.868 -0.928 19513 116 1 . 1 1 677 677 ASN CA C 677 54.554 54.554 55.568 -1.014 19513 117 1 . 1 1 677 677 ASN CB C 677 38.121 38.121 38.935 -0.814 19513 118 1 . 1 1 677 677 ASN H H 677 7.989 7.989 8.047 -0.058 19513 119 1 . 1 1 678 678 TRP N N 678 119.377 119.377 119.724 -0.347 19513 120 1 . 1 1 678 678 TRP HA H 678 4.591 4.591 4.638 -0.046 19513 121 1 . 1 1 678 678 TRP C C 678 176.785 176.785 177.830 -1.045 19513 122 1 . 1 1 678 678 TRP CA C 678 58.696 58.696 59.056 -0.360 19513 123 1 . 1 1 678 678 TRP CB C 678 29.644 29.644 29.745 -0.101 19513 124 1 . 1 1 678 678 TRP H H 678 7.792 7.792 8.212 -0.420 19513 125 1 . 1 1 679 679 LEU N N 679 117.934 117.934 120.171 -2.237 19513 126 1 . 1 1 679 679 LEU HA H 679 3.994 3.994 3.198 0.796 19513 127 1 . 1 1 679 679 LEU C C 679 177.430 177.430 177.752 -0.322 19513 128 1 . 1 1 679 679 LEU CA C 679 56.750 56.750 56.464 0.286 19513 129 1 . 1 1 679 679 LEU CB C 679 41.760 41.760 41.185 0.575 19513 130 1 . 1 1 679 679 LEU H H 679 7.752 7.752 8.398 -0.646 19513 131 1 . 1 1 680 680 TRP N N 680 117.268 117.268 120.139 -2.871 19513 132 1 . 1 1 680 680 TRP HA H 680 4.346 4.346 4.283 0.063 19513 133 1 . 1 1 680 680 TRP C C 680 176.340 176.340 176.902 -0.562 19513 134 1 . 1 1 680 680 TRP CA C 680 58.835 58.835 60.205 -1.370 19513 135 1 . 1 1 680 680 TRP CB C 680 29.188 29.188 29.221 -0.033 19513 136 1 . 1 1 680 680 TRP H H 680 7.543 7.543 7.713 -0.170 19513 137 1 . 1 1 681 681 TYR N N 681 116.283 116.283 120.128 -3.845 19513 138 1 . 1 1 681 681 TYR HA H 681 4.170 4.170 3.762 0.408 19513 139 1 . 1 1 681 681 TYR C C 681 175.607 175.607 175.970 -0.363 19513 140 1 . 1 1 681 681 TYR CA C 681 59.670 59.670 59.970 -0.300 19513 141 1 . 1 1 681 681 TYR CB C 681 39.117 39.117 38.893 0.224 19513 142 1 . 1 1 681 681 TYR H H 681 7.473 7.473 7.484 -0.011 19513 143 1 . 1 1 682 682 ILE N N 682 115.196 115.196 112.524 2.672 19513 144 1 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.054 0.131 19513 145 1 . 1 1 682 682 ILE C C 682 174.317 174.317 176.430 -2.113 19513 146 1 . 1 1 682 682 ILE CA C 682 61.204 61.204 60.941 0.263 19513 147 1 . 1 1 682 682 ILE CB C 682 38.895 38.895 39.196 -0.301 19513 148 1 . 1 1 682 682 ILE H H 682 7.483 7.483 7.114 0.369 19513 stop_ save_