data_19515 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19515 _Entry.PDB_ID 2ME4 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 19515 _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 4.292 4.292 4.234 0.058 19515 2 1 1 . 1 1 658 658 LYS C C 658 175.668 175.668 175.814 -0.146 19515 3 1 1 . 1 1 658 658 LYS CA C 658 56.747 56.747 56.530 0.217 19515 4 1 1 . 1 1 658 658 LYS CB C 658 32.868 32.868 32.505 0.363 19515 5 1 1 . 1 1 659 659 ASP N N 659 120.320 120.320 124.429 -4.109 19515 6 1 1 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.857 -0.274 19515 7 1 1 . 1 1 659 659 ASP C C 659 176.214 176.214 176.722 -0.508 19515 8 1 1 . 1 1 659 659 ASP CA C 659 54.342 54.342 53.601 0.741 19515 9 1 1 . 1 1 659 659 ASP CB C 659 41.140 41.140 42.613 -1.473 19515 10 1 1 . 1 1 659 659 ASP H H 659 8.360 8.360 8.465 -0.105 19515 11 1 1 . 1 1 660 660 LEU N N 660 121.445 121.445 124.299 -2.854 19515 12 1 1 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.345 -0.124 19515 13 1 1 . 1 1 660 660 LEU C C 660 177.071 177.071 178.164 -1.093 19515 14 1 1 . 1 1 660 660 LEU CA C 660 56.317 56.317 56.409 -0.092 19515 15 1 1 . 1 1 660 660 LEU CB C 660 42.498 42.498 42.507 -0.009 19515 16 1 1 . 1 1 660 660 LEU H H 660 8.388 8.388 8.930 -0.542 19515 17 1 1 . 1 1 661 661 LEU N N 661 118.164 118.164 118.995 -0.831 19515 18 1 1 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.589 -0.268 19515 19 1 1 . 1 1 661 661 LEU C C 661 176.473 176.473 176.314 0.159 19515 20 1 1 . 1 1 661 661 LEU CA C 661 54.791 54.791 54.049 0.742 19515 21 1 1 . 1 1 661 661 LEU CB C 661 42.060 42.060 41.956 0.104 19515 22 1 1 . 1 1 661 661 LEU H H 661 8.114 8.114 8.032 0.082 19515 23 1 1 . 1 1 662 662 ALA N N 662 122.289 122.289 123.149 -0.860 19515 24 1 1 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.285 0.051 19515 25 1 1 . 1 1 662 662 ALA C C 662 177.849 177.849 178.930 -1.081 19515 26 1 1 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.715 -0.199 19515 27 1 1 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.741 1.472 19515 28 1 1 . 1 1 662 662 ALA H H 662 7.936 7.936 7.386 0.550 19515 29 1 1 . 1 1 663 663 LEU N N 663 119.570 119.570 126.395 -6.825 19515 30 1 1 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.144 0.056 19515 31 1 1 . 1 1 663 663 LEU C C 663 177.653 177.653 178.550 -0.897 19515 32 1 1 . 1 1 663 663 LEU CA C 663 56.516 56.516 57.838 -1.322 19515 33 1 1 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.944 0.088 19515 34 1 1 . 1 1 663 663 LEU H H 663 8.210 8.210 8.384 -0.174 19515 35 1 1 . 1 1 664 664 ASP N N 664 117.320 117.320 117.315 0.005 19515 36 1 1 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.493 0.012 19515 37 1 1 . 1 1 664 664 ASP C C 664 177.568 177.568 177.545 0.023 19515 38 1 1 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.761 -1.082 19515 39 1 1 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.713 -0.245 19515 40 1 1 . 1 1 664 664 ASP H H 664 8.360 8.360 8.717 -0.357 19515 41 1 1 . 1 1 665 665 LYS N N 665 118.403 118.403 117.233 1.170 19515 42 1 1 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.424 -0.236 19515 43 1 1 . 1 1 665 665 LYS C C 665 177.428 177.428 178.430 -1.002 19515 44 1 1 . 1 1 665 665 LYS CA C 665 57.552 57.552 57.572 -0.020 19515 45 1 1 . 1 1 665 665 LYS CB C 665 32.253 32.253 32.972 -0.719 19515 46 1 1 . 1 1 665 665 LYS H H 665 7.957 7.957 8.296 -0.339 19515 47 1 1 . 1 1 666 666 TRP N N 666 119.008 119.008 121.038 -2.030 19515 48 1 1 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.452 0.066 19515 49 1 1 . 1 1 666 666 TRP C C 666 176.614 176.614 177.959 -1.345 19515 50 1 1 . 1 1 666 666 TRP CA C 666 58.613 58.613 60.635 -2.022 19515 51 1 1 . 1 1 666 666 TRP CB C 666 29.388 29.388 29.399 -0.011 19515 52 1 1 . 1 1 666 666 TRP H H 666 8.018 8.018 7.480 0.538 19515 53 1 1 . 1 1 667 667 ASN N N 667 115.789 115.789 117.885 -2.096 19515 54 1 1 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.605 -0.200 19515 55 1 1 . 1 1 667 667 ASN C C 667 177.139 177.139 177.737 -0.598 19515 56 1 1 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.756 -1.118 19515 57 1 1 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.507 0.052 19515 58 1 1 . 1 1 667 667 ASN H H 667 8.177 8.177 8.128 0.049 19515 59 1 1 . 1 1 668 668 SER N N 668 114.122 114.122 115.242 -1.120 19515 60 1 1 . 1 1 668 668 SER HA H 668 4.339 4.339 4.440 -0.101 19515 61 1 1 . 1 1 668 668 SER C C 668 175.509 175.509 176.300 -0.791 19515 62 1 1 . 1 1 668 668 SER CA C 668 60.480 60.480 61.368 -0.888 19515 63 1 1 . 1 1 668 668 SER CB C 668 63.178 63.178 63.437 -0.259 19515 64 1 1 . 1 1 668 668 SER H H 668 8.113 8.113 7.711 0.402 19515 65 1 1 . 1 1 669 669 LEU N N 669 121.445 121.445 121.755 -0.310 19515 66 1 1 . 1 1 669 669 LEU HA H 669 3.979 3.979 3.907 0.072 19515 67 1 1 . 1 1 669 669 LEU C C 669 177.357 177.357 177.409 -0.052 19515 68 1 1 . 1 1 669 669 LEU CA C 669 57.507 57.507 57.461 0.047 19515 69 1 1 . 1 1 669 669 LEU CB C 669 41.986 41.986 42.004 -0.018 19515 70 1 1 . 1 1 669 669 LEU H H 669 7.813 7.813 8.010 -0.197 19515 71 1 1 . 1 1 670 670 TRP N N 670 115.164 115.164 118.441 -3.277 19515 72 1 1 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.439 0.202 19515 73 1 1 . 1 1 670 670 TRP C C 670 177.139 177.139 177.676 -0.537 19515 74 1 1 . 1 1 670 670 TRP CA C 670 58.242 58.242 59.107 -0.865 19515 75 1 1 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.656 -0.125 19515 76 1 1 . 1 1 670 670 TRP H H 670 7.554 7.554 8.009 -0.455 19515 77 1 1 . 1 1 671 671 SER N N 671 111.992 111.992 114.941 -2.949 19515 78 1 1 . 1 1 671 671 SER HA H 671 4.396 4.396 4.511 -0.115 19515 79 1 1 . 1 1 671 671 SER C C 671 175.159 175.159 175.524 -0.365 19515 80 1 1 . 1 1 671 671 SER CA C 671 60.034 60.034 60.639 -0.605 19515 81 1 1 . 1 1 671 671 SER CB C 671 63.623 63.623 63.945 -0.322 19515 82 1 1 . 1 1 671 671 SER H H 671 7.988 7.988 7.766 0.222 19515 83 1 1 . 1 1 672 672 TRP N N 672 120.173 120.173 118.569 1.604 19515 84 1 1 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.826 -0.301 19515 85 1 1 . 1 1 672 672 TRP C C 672 176.153 176.153 176.255 -0.102 19515 86 1 1 . 1 1 672 672 TRP CA C 672 58.637 58.637 56.161 2.476 19515 87 1 1 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.297 0.365 19515 88 1 1 . 1 1 672 672 TRP H H 672 7.872 7.872 6.973 0.899 19515 89 1 1 . 1 1 673 673 PHE N N 673 117.414 117.414 120.922 -3.508 19515 90 1 1 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.489 -0.111 19515 91 1 1 . 1 1 673 673 PHE C C 673 174.357 174.357 174.608 -0.251 19515 92 1 1 . 1 1 673 673 PHE CA C 673 58.139 58.139 57.142 0.998 19515 93 1 1 . 1 1 673 673 PHE CB C 673 39.384 39.384 38.641 0.743 19515 94 1 1 . 1 1 673 673 PHE H H 673 7.783 7.783 7.101 0.682 19515 95 1 1 . 1 1 674 674 ASP N N 674 120.414 120.414 122.436 -2.022 19515 96 1 1 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.978 -0.346 19515 97 1 1 . 1 1 674 674 ASP C C 674 176.749 176.749 176.720 0.029 19515 98 1 1 . 1 1 674 674 ASP CA C 674 53.569 53.569 54.043 -0.474 19515 99 1 1 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.936 -0.281 19515 100 1 1 . 1 1 674 674 ASP H H 674 7.725 7.725 7.559 0.166 19515 101 1 1 . 1 1 675 675 ILE N N 675 120.320 120.320 126.220 -5.900 19515 102 1 1 . 1 1 675 675 ILE HA H 675 3.791 3.791 4.066 -0.275 19515 103 1 1 . 1 1 675 675 ILE C C 675 176.683 176.683 178.104 -1.421 19515 104 1 1 . 1 1 675 675 ILE CA C 675 63.208 63.208 60.681 2.527 19515 105 1 1 . 1 1 675 675 ILE CB C 675 38.336 38.336 37.431 0.905 19515 106 1 1 . 1 1 675 675 ILE H H 675 8.196 8.196 8.589 -0.393 19515 107 1 1 . 1 1 676 676 THR N N 676 111.977 111.977 117.001 -5.024 19515 108 1 1 . 1 1 676 676 THR HA H 676 3.903 3.903 4.028 -0.125 19515 109 1 1 . 1 1 676 676 THR C C 676 176.347 176.347 176.396 -0.049 19515 110 1 1 . 1 1 676 676 THR CA C 676 65.643 65.643 66.921 -1.278 19515 111 1 1 . 1 1 676 676 THR CB C 676 68.453 68.453 68.680 -0.226 19515 112 1 1 . 1 1 676 676 THR H H 676 8.114 8.114 8.388 -0.274 19515 113 1 1 . 1 1 677 677 LYS N N 677 119.101 119.101 120.062 -0.961 19515 114 1 1 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.196 -0.181 19515 115 1 1 . 1 1 677 677 LYS C C 677 177.394 177.394 178.811 -1.417 19515 116 1 1 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.363 -1.220 19515 117 1 1 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.185 -0.060 19515 118 1 1 . 1 1 677 677 LYS H H 677 7.512 7.512 8.285 -0.773 19515 119 1 1 . 1 1 678 678 TRP N N 678 116.945 116.945 119.641 -2.696 19515 120 1 1 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.627 0.058 19515 121 1 1 . 1 1 678 678 TRP C C 678 176.964 176.964 179.009 -2.045 19515 122 1 1 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.443 -2.185 19515 123 1 1 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.181 -0.362 19515 124 1 1 . 1 1 678 678 TRP H H 678 7.525 7.525 8.453 -0.928 19515 125 1 1 . 1 1 679 679 LEU N N 679 116.664 116.664 119.928 -3.264 19515 126 1 1 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.214 -0.132 19515 127 1 1 . 1 1 679 679 LEU C C 679 177.458 177.458 178.993 -1.535 19515 128 1 1 . 1 1 679 679 LEU CA C 679 56.839 56.839 57.795 -0.956 19515 129 1 1 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.326 0.586 19515 130 1 1 . 1 1 679 679 LEU H H 679 7.786 7.786 8.578 -0.792 19515 131 1 1 . 1 1 680 680 TRP N N 680 116.195 116.195 121.072 -4.877 19515 132 1 1 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.488 -0.131 19515 133 1 1 . 1 1 680 680 TRP C C 680 176.394 176.394 178.078 -1.684 19515 134 1 1 . 1 1 680 680 TRP CA C 680 58.948 58.948 60.913 -1.965 19515 135 1 1 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.619 -0.483 19515 136 1 1 . 1 1 680 680 TRP H H 680 7.547 7.547 8.960 -1.413 19515 137 1 1 . 1 1 681 681 TYR N N 681 115.352 115.352 118.097 -2.745 19515 138 1 1 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.431 -0.281 19515 139 1 1 . 1 1 681 681 TYR C C 681 175.671 175.671 176.782 -1.111 19515 140 1 1 . 1 1 681 681 TYR CA C 681 59.780 59.780 60.993 -1.213 19515 141 1 1 . 1 1 681 681 TYR CB C 681 39.011 39.011 39.021 -0.010 19515 142 1 1 . 1 1 681 681 TYR H H 681 7.471 7.471 7.964 -0.493 19515 143 1 1 . 1 1 682 682 ILE N N 682 113.570 113.570 116.512 -2.942 19515 144 1 1 . 1 1 682 682 ILE HA H 682 4.211 4.211 4.300 -0.089 19515 145 1 1 . 1 1 682 682 ILE C C 682 174.166 174.166 176.783 -2.617 19515 146 1 1 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.488 -0.324 19515 147 1 1 . 1 1 682 682 ILE CB C 682 38.869 38.869 38.291 0.578 19515 148 1 1 . 1 1 682 682 ILE H H 682 7.471 7.471 7.583 -0.112 19515 149 1 2 . 1 1 658 658 LYS HA H 658 4.292 4.292 4.593 -0.301 19515 150 1 2 . 1 1 658 658 LYS C C 658 175.668 175.668 174.921 0.747 19515 151 1 2 . 1 1 658 658 LYS CA C 658 56.747 56.747 55.887 0.860 19515 152 1 2 . 1 1 658 658 LYS CB C 658 32.868 32.868 32.426 0.442 19515 153 1 2 . 1 1 659 659 ASP N N 659 120.320 120.320 121.619 -1.299 19515 154 1 2 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.837 -0.254 19515 155 1 2 . 1 1 659 659 ASP C C 659 176.214 176.214 177.863 -1.649 19515 156 1 2 . 1 1 659 659 ASP CA C 659 54.342 54.342 53.263 1.079 19515 157 1 2 . 1 1 659 659 ASP CB C 659 41.140 41.140 42.902 -1.762 19515 158 1 2 . 1 1 659 659 ASP H H 659 8.360 8.360 8.468 -0.108 19515 159 1 2 . 1 1 660 660 LEU N N 660 121.445 121.445 122.645 -1.200 19515 160 1 2 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.140 0.081 19515 161 1 2 . 1 1 660 660 LEU C C 660 177.071 177.071 177.839 -0.768 19515 162 1 2 . 1 1 660 660 LEU CA C 660 56.317 56.317 57.105 -0.788 19515 163 1 2 . 1 1 660 660 LEU CB C 660 42.498 42.498 42.339 0.159 19515 164 1 2 . 1 1 660 660 LEU H H 660 8.388 8.388 8.806 -0.418 19515 165 1 2 . 1 1 661 661 LEU N N 661 118.164 118.164 118.155 0.009 19515 166 1 2 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.631 -0.310 19515 167 1 2 . 1 1 661 661 LEU C C 661 176.473 176.473 176.319 0.154 19515 168 1 2 . 1 1 661 661 LEU CA C 661 54.791 54.791 54.038 0.753 19515 169 1 2 . 1 1 661 661 LEU CB C 661 42.060 42.060 41.963 0.097 19515 170 1 2 . 1 1 661 661 LEU H H 661 8.114 8.114 7.969 0.145 19515 171 1 2 . 1 1 662 662 ALA N N 662 122.289 122.289 123.285 -0.996 19515 172 1 2 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.263 0.073 19515 173 1 2 . 1 1 662 662 ALA C C 662 177.849 177.849 178.372 -0.523 19515 174 1 2 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.400 0.116 19515 175 1 2 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.772 1.441 19515 176 1 2 . 1 1 662 662 ALA H H 662 7.936 7.936 8.093 -0.157 19515 177 1 2 . 1 1 663 663 LEU N N 663 119.570 119.570 126.604 -7.034 19515 178 1 2 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.141 0.059 19515 179 1 2 . 1 1 663 663 LEU C C 663 177.653 177.653 178.273 -0.620 19515 180 1 2 . 1 1 663 663 LEU CA C 663 56.516 56.516 58.126 -1.610 19515 181 1 2 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.637 0.395 19515 182 1 2 . 1 1 663 663 LEU H H 663 8.210 8.210 8.437 -0.227 19515 183 1 2 . 1 1 664 664 ASP N N 664 117.320 117.320 118.183 -0.863 19515 184 1 2 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.517 -0.012 19515 185 1 2 . 1 1 664 664 ASP C C 664 177.568 177.568 177.948 -0.380 19515 186 1 2 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.765 -1.086 19515 187 1 2 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.209 0.259 19515 188 1 2 . 1 1 664 664 ASP H H 664 8.360 8.360 8.591 -0.231 19515 189 1 2 . 1 1 665 665 LYS N N 665 118.403 118.403 117.277 1.126 19515 190 1 2 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.499 -0.311 19515 191 1 2 . 1 1 665 665 LYS C C 665 177.428 177.428 178.726 -1.298 19515 192 1 2 . 1 1 665 665 LYS CA C 665 57.552 57.552 56.358 1.194 19515 193 1 2 . 1 1 665 665 LYS CB C 665 32.253 32.253 33.339 -1.085 19515 194 1 2 . 1 1 665 665 LYS H H 665 7.957 7.957 8.338 -0.381 19515 195 1 2 . 1 1 666 666 TRP N N 666 119.008 119.008 121.970 -2.962 19515 196 1 2 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.485 0.033 19515 197 1 2 . 1 1 666 666 TRP C C 666 176.614 176.614 177.783 -1.169 19515 198 1 2 . 1 1 666 666 TRP CA C 666 58.613 58.613 60.428 -1.815 19515 199 1 2 . 1 1 666 666 TRP CB C 666 29.388 29.388 29.437 -0.049 19515 200 1 2 . 1 1 666 666 TRP H H 666 8.018 8.018 7.442 0.576 19515 201 1 2 . 1 1 667 667 ASN N N 667 115.789 115.789 118.001 -2.212 19515 202 1 2 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.578 -0.173 19515 203 1 2 . 1 1 667 667 ASN C C 667 177.139 177.139 177.553 -0.414 19515 204 1 2 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.618 -0.980 19515 205 1 2 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.431 0.128 19515 206 1 2 . 1 1 667 667 ASN H H 667 8.177 8.177 8.008 0.169 19515 207 1 2 . 1 1 668 668 SER N N 668 114.122 114.122 115.083 -0.961 19515 208 1 2 . 1 1 668 668 SER HA H 668 4.339 4.339 4.436 -0.097 19515 209 1 2 . 1 1 668 668 SER C C 668 175.509 175.509 176.302 -0.793 19515 210 1 2 . 1 1 668 668 SER CA C 668 60.480 60.480 61.014 -0.534 19515 211 1 2 . 1 1 668 668 SER CB C 668 63.178 63.178 63.363 -0.185 19515 212 1 2 . 1 1 668 668 SER H H 668 8.113 8.113 7.601 0.512 19515 213 1 2 . 1 1 669 669 LEU N N 669 121.445 121.445 120.678 0.767 19515 214 1 2 . 1 1 669 669 LEU HA H 669 3.979 3.979 3.859 0.120 19515 215 1 2 . 1 1 669 669 LEU C C 669 177.357 177.357 177.685 -0.328 19515 216 1 2 . 1 1 669 669 LEU CA C 669 57.507 57.507 57.380 0.127 19515 217 1 2 . 1 1 669 669 LEU CB C 669 41.986 41.986 42.039 -0.053 19515 218 1 2 . 1 1 669 669 LEU H H 669 7.813 7.813 7.999 -0.186 19515 219 1 2 . 1 1 670 670 TRP N N 670 115.164 115.164 118.165 -3.001 19515 220 1 2 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.458 0.183 19515 221 1 2 . 1 1 670 670 TRP C C 670 177.139 177.139 177.654 -0.515 19515 222 1 2 . 1 1 670 670 TRP CA C 670 58.242 58.242 59.316 -1.074 19515 223 1 2 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.656 -0.125 19515 224 1 2 . 1 1 670 670 TRP H H 670 7.554 7.554 7.834 -0.280 19515 225 1 2 . 1 1 671 671 SER N N 671 111.992 111.992 115.005 -3.013 19515 226 1 2 . 1 1 671 671 SER HA H 671 4.396 4.396 4.539 -0.143 19515 227 1 2 . 1 1 671 671 SER C C 671 175.159 175.159 175.525 -0.366 19515 228 1 2 . 1 1 671 671 SER CA C 671 60.034 60.034 60.996 -0.962 19515 229 1 2 . 1 1 671 671 SER CB C 671 63.623 63.623 63.759 -0.136 19515 230 1 2 . 1 1 671 671 SER H H 671 7.988 7.988 7.822 0.166 19515 231 1 2 . 1 1 672 672 TRP N N 672 120.173 120.173 118.145 2.028 19515 232 1 2 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.859 -0.334 19515 233 1 2 . 1 1 672 672 TRP C C 672 176.153 176.153 176.283 -0.130 19515 234 1 2 . 1 1 672 672 TRP CA C 672 58.637 58.637 56.239 2.398 19515 235 1 2 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.333 0.330 19515 236 1 2 . 1 1 672 672 TRP H H 672 7.872 7.872 6.934 0.938 19515 237 1 2 . 1 1 673 673 PHE N N 673 117.414 117.414 120.869 -3.455 19515 238 1 2 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.478 -0.100 19515 239 1 2 . 1 1 673 673 PHE C C 673 174.357 174.357 174.689 -0.332 19515 240 1 2 . 1 1 673 673 PHE CA C 673 58.139 58.139 57.297 0.841 19515 241 1 2 . 1 1 673 673 PHE CB C 673 39.384 39.384 38.744 0.640 19515 242 1 2 . 1 1 673 673 PHE H H 673 7.783 7.783 7.049 0.734 19515 243 1 2 . 1 1 674 674 ASP N N 674 120.414 120.414 121.927 -1.513 19515 244 1 2 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.861 -0.229 19515 245 1 2 . 1 1 674 674 ASP C C 674 176.749 176.749 176.014 0.735 19515 246 1 2 . 1 1 674 674 ASP CA C 674 53.569 53.569 53.350 0.219 19515 247 1 2 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.686 -0.031 19515 248 1 2 . 1 1 674 674 ASP H H 674 7.725 7.725 7.519 0.206 19515 249 1 2 . 1 1 675 675 ILE N N 675 120.320 120.320 124.736 -4.416 19515 250 1 2 . 1 1 675 675 ILE HA H 675 3.791 3.791 3.914 -0.123 19515 251 1 2 . 1 1 675 675 ILE C C 675 176.683 176.683 177.927 -1.244 19515 252 1 2 . 1 1 675 675 ILE CA C 675 63.208 63.208 61.482 1.726 19515 253 1 2 . 1 1 675 675 ILE CB C 675 38.336 38.336 37.422 0.914 19515 254 1 2 . 1 1 675 675 ILE H H 675 8.196 8.196 8.209 -0.013 19515 255 1 2 . 1 1 676 676 THR N N 676 111.977 111.977 114.407 -2.430 19515 256 1 2 . 1 1 676 676 THR HA H 676 3.903 3.903 3.986 -0.083 19515 257 1 2 . 1 1 676 676 THR C C 676 176.347 176.347 176.777 -0.430 19515 258 1 2 . 1 1 676 676 THR CA C 676 65.643 65.643 65.961 -0.318 19515 259 1 2 . 1 1 676 676 THR CB C 676 68.453 68.453 68.406 0.047 19515 260 1 2 . 1 1 676 676 THR H H 676 8.114 8.114 8.196 -0.082 19515 261 1 2 . 1 1 677 677 LYS N N 677 119.101 119.101 120.850 -1.749 19515 262 1 2 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.135 -0.120 19515 263 1 2 . 1 1 677 677 LYS C C 677 177.394 177.394 178.885 -1.491 19515 264 1 2 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.353 -1.210 19515 265 1 2 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.332 -0.207 19515 266 1 2 . 1 1 677 677 LYS H H 677 7.512 7.512 7.819 -0.307 19515 267 1 2 . 1 1 678 678 TRP N N 678 116.945 116.945 119.670 -2.725 19515 268 1 2 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.680 0.005 19515 269 1 2 . 1 1 678 678 TRP C C 678 176.964 176.964 179.002 -2.038 19515 270 1 2 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.466 -2.208 19515 271 1 2 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.161 -0.342 19515 272 1 2 . 1 1 678 678 TRP H H 678 7.525 7.525 8.441 -0.916 19515 273 1 2 . 1 1 679 679 LEU N N 679 116.664 116.664 119.873 -3.209 19515 274 1 2 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.190 -0.108 19515 275 1 2 . 1 1 679 679 LEU C C 679 177.458 177.458 178.971 -1.513 19515 276 1 2 . 1 1 679 679 LEU CA C 679 56.839 56.839 57.811 -0.972 19515 277 1 2 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.302 0.610 19515 278 1 2 . 1 1 679 679 LEU H H 679 7.786 7.786 8.524 -0.738 19515 279 1 2 . 1 1 680 680 TRP N N 680 116.195 116.195 120.765 -4.570 19515 280 1 2 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.481 -0.124 19515 281 1 2 . 1 1 680 680 TRP C C 680 176.394 176.394 178.032 -1.638 19515 282 1 2 . 1 1 680 680 TRP CA C 680 58.948 58.948 60.682 -1.734 19515 283 1 2 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.522 -0.387 19515 284 1 2 . 1 1 680 680 TRP H H 680 7.547 7.547 8.785 -1.238 19515 285 1 2 . 1 1 681 681 TYR N N 681 115.352 115.352 118.068 -2.716 19515 286 1 2 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.450 -0.300 19515 287 1 2 . 1 1 681 681 TYR C C 681 175.671 175.671 176.753 -1.082 19515 288 1 2 . 1 1 681 681 TYR CA C 681 59.780 59.780 61.089 -1.309 19515 289 1 2 . 1 1 681 681 TYR CB C 681 39.011 39.011 38.915 0.096 19515 290 1 2 . 1 1 681 681 TYR H H 681 7.471 7.471 7.879 -0.408 19515 291 1 2 . 1 1 682 682 ILE N N 682 113.570 113.570 116.795 -3.225 19515 292 1 2 . 1 1 682 682 ILE HA H 682 4.211 4.211 4.272 -0.061 19515 293 1 2 . 1 1 682 682 ILE C C 682 174.166 174.166 176.660 -2.494 19515 294 1 2 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.604 -0.440 19515 295 1 2 . 1 1 682 682 ILE CB C 682 38.869 38.869 38.159 0.710 19515 296 1 2 . 1 1 682 682 ILE H H 682 7.471 7.471 7.473 -0.002 19515 297 1 3 . 1 1 658 658 LYS HA H 658 4.292 4.292 4.529 -0.237 19515 298 1 3 . 1 1 658 658 LYS C C 658 175.668 175.668 175.374 0.294 19515 299 1 3 . 1 1 658 658 LYS CA C 658 56.747 56.747 55.790 0.957 19515 300 1 3 . 1 1 658 658 LYS CB C 658 32.868 32.868 33.306 -0.438 19515 301 1 3 . 1 1 659 659 ASP N N 659 120.320 120.320 121.101 -0.781 19515 302 1 3 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.837 -0.254 19515 303 1 3 . 1 1 659 659 ASP C C 659 176.214 176.214 176.785 -0.571 19515 304 1 3 . 1 1 659 659 ASP CA C 659 54.342 54.342 53.636 0.706 19515 305 1 3 . 1 1 659 659 ASP CB C 659 41.140 41.140 41.893 -0.753 19515 306 1 3 . 1 1 659 659 ASP H H 659 8.360 8.360 8.543 -0.183 19515 307 1 3 . 1 1 660 660 LEU N N 660 121.445 121.445 124.289 -2.844 19515 308 1 3 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.393 -0.172 19515 309 1 3 . 1 1 660 660 LEU C C 660 177.071 177.071 178.258 -1.187 19515 310 1 3 . 1 1 660 660 LEU CA C 660 56.317 56.317 56.346 -0.029 19515 311 1 3 . 1 1 660 660 LEU CB C 660 42.498 42.498 42.571 -0.073 19515 312 1 3 . 1 1 660 660 LEU H H 660 8.388 8.388 8.914 -0.526 19515 313 1 3 . 1 1 661 661 LEU N N 661 118.164 118.164 119.115 -0.951 19515 314 1 3 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.598 -0.277 19515 315 1 3 . 1 1 661 661 LEU C C 661 176.473 176.473 176.394 0.079 19515 316 1 3 . 1 1 661 661 LEU CA C 661 54.791 54.791 54.119 0.672 19515 317 1 3 . 1 1 661 661 LEU CB C 661 42.060 42.060 41.950 0.110 19515 318 1 3 . 1 1 661 661 LEU H H 661 8.114 8.114 8.016 0.098 19515 319 1 3 . 1 1 662 662 ALA N N 662 122.289 122.289 122.846 -0.557 19515 320 1 3 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.243 0.093 19515 321 1 3 . 1 1 662 662 ALA C C 662 177.849 177.849 178.558 -0.709 19515 322 1 3 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.487 0.029 19515 323 1 3 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.626 1.587 19515 324 1 3 . 1 1 662 662 ALA H H 662 7.936 7.936 7.471 0.465 19515 325 1 3 . 1 1 663 663 LEU N N 663 119.570 119.570 126.519 -6.949 19515 326 1 3 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.173 0.027 19515 327 1 3 . 1 1 663 663 LEU C C 663 177.653 177.653 178.078 -0.425 19515 328 1 3 . 1 1 663 663 LEU CA C 663 56.516 56.516 57.888 -1.372 19515 329 1 3 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.800 0.232 19515 330 1 3 . 1 1 663 663 LEU H H 663 8.210 8.210 8.466 -0.256 19515 331 1 3 . 1 1 664 664 ASP N N 664 117.320 117.320 118.311 -0.991 19515 332 1 3 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.510 -0.005 19515 333 1 3 . 1 1 664 664 ASP C C 664 177.568 177.568 178.022 -0.454 19515 334 1 3 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.803 -1.124 19515 335 1 3 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.121 0.346 19515 336 1 3 . 1 1 664 664 ASP H H 664 8.360 8.360 8.604 -0.244 19515 337 1 3 . 1 1 665 665 LYS N N 665 118.403 118.403 117.260 1.143 19515 338 1 3 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.509 -0.321 19515 339 1 3 . 1 1 665 665 LYS C C 665 177.428 177.428 178.656 -1.228 19515 340 1 3 . 1 1 665 665 LYS CA C 665 57.552 57.552 55.976 1.576 19515 341 1 3 . 1 1 665 665 LYS CB C 665 32.253 32.253 33.290 -1.037 19515 342 1 3 . 1 1 665 665 LYS H H 665 7.957 7.957 8.327 -0.370 19515 343 1 3 . 1 1 666 666 TRP N N 666 119.008 119.008 121.867 -2.859 19515 344 1 3 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.441 0.077 19515 345 1 3 . 1 1 666 666 TRP C C 666 176.614 176.614 177.918 -1.304 19515 346 1 3 . 1 1 666 666 TRP CA C 666 58.613 58.613 60.615 -2.002 19515 347 1 3 . 1 1 666 666 TRP CB C 666 29.388 29.388 29.493 -0.105 19515 348 1 3 . 1 1 666 666 TRP H H 666 8.018 8.018 7.458 0.560 19515 349 1 3 . 1 1 667 667 ASN N N 667 115.789 115.789 118.329 -2.540 19515 350 1 3 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.617 -0.212 19515 351 1 3 . 1 1 667 667 ASN C C 667 177.139 177.139 176.915 0.224 19515 352 1 3 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.940 -1.302 19515 353 1 3 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.701 -0.142 19515 354 1 3 . 1 1 667 667 ASN H H 667 8.177 8.177 8.108 0.069 19515 355 1 3 . 1 1 668 668 SER N N 668 114.122 114.122 114.852 -0.730 19515 356 1 3 . 1 1 668 668 SER HA H 668 4.339 4.339 4.429 -0.090 19515 357 1 3 . 1 1 668 668 SER C C 668 175.509 175.509 176.304 -0.795 19515 358 1 3 . 1 1 668 668 SER CA C 668 60.480 60.480 60.708 -0.228 19515 359 1 3 . 1 1 668 668 SER CB C 668 63.178 63.178 63.430 -0.252 19515 360 1 3 . 1 1 668 668 SER H H 668 8.113 8.113 7.598 0.515 19515 361 1 3 . 1 1 669 669 LEU N N 669 121.445 121.445 121.142 0.303 19515 362 1 3 . 1 1 669 669 LEU HA H 669 3.979 3.979 3.890 0.089 19515 363 1 3 . 1 1 669 669 LEU C C 669 177.357 177.357 177.862 -0.505 19515 364 1 3 . 1 1 669 669 LEU CA C 669 57.507 57.507 56.929 0.578 19515 365 1 3 . 1 1 669 669 LEU CB C 669 41.986 41.986 42.020 -0.034 19515 366 1 3 . 1 1 669 669 LEU H H 669 7.813 7.813 7.876 -0.063 19515 367 1 3 . 1 1 670 670 TRP N N 670 115.164 115.164 115.988 -0.824 19515 368 1 3 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.430 0.211 19515 369 1 3 . 1 1 670 670 TRP C C 670 177.139 177.139 176.833 0.306 19515 370 1 3 . 1 1 670 670 TRP CA C 670 58.242 58.242 58.131 0.111 19515 371 1 3 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.540 -0.009 19515 372 1 3 . 1 1 670 670 TRP H H 670 7.554 7.554 7.451 0.103 19515 373 1 3 . 1 1 671 671 SER N N 671 111.992 111.992 112.398 -0.406 19515 374 1 3 . 1 1 671 671 SER HA H 671 4.396 4.396 4.508 -0.112 19515 375 1 3 . 1 1 671 671 SER C C 671 175.159 175.159 175.464 -0.305 19515 376 1 3 . 1 1 671 671 SER CA C 671 60.034 60.034 60.413 -0.378 19515 377 1 3 . 1 1 671 671 SER CB C 671 63.623 63.623 63.429 0.194 19515 378 1 3 . 1 1 671 671 SER H H 671 7.988 7.988 7.666 0.322 19515 379 1 3 . 1 1 672 672 TRP N N 672 120.173 120.173 117.852 2.321 19515 380 1 3 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.948 -0.423 19515 381 1 3 . 1 1 672 672 TRP C C 672 176.153 176.153 176.717 -0.564 19515 382 1 3 . 1 1 672 672 TRP CA C 672 58.637 58.637 57.496 1.141 19515 383 1 3 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.720 -0.057 19515 384 1 3 . 1 1 672 672 TRP H H 672 7.872 7.872 7.096 0.776 19515 385 1 3 . 1 1 673 673 PHE N N 673 117.414 117.414 121.752 -4.338 19515 386 1 3 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.586 -0.208 19515 387 1 3 . 1 1 673 673 PHE C C 673 174.357 174.357 174.258 0.099 19515 388 1 3 . 1 1 673 673 PHE CA C 673 58.139 58.139 56.318 1.821 19515 389 1 3 . 1 1 673 673 PHE CB C 673 39.384 39.384 37.870 1.514 19515 390 1 3 . 1 1 673 673 PHE H H 673 7.783 7.783 6.769 1.014 19515 391 1 3 . 1 1 674 674 ASP N N 674 120.414 120.414 122.060 -1.646 19515 392 1 3 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.919 -0.287 19515 393 1 3 . 1 1 674 674 ASP C C 674 176.749 176.749 176.941 -0.192 19515 394 1 3 . 1 1 674 674 ASP CA C 674 53.569 53.569 54.467 -0.898 19515 395 1 3 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.840 -0.186 19515 396 1 3 . 1 1 674 674 ASP H H 674 7.725 7.725 7.533 0.192 19515 397 1 3 . 1 1 675 675 ILE N N 675 120.320 120.320 126.161 -5.841 19515 398 1 3 . 1 1 675 675 ILE HA H 675 3.791 3.791 3.866 -0.075 19515 399 1 3 . 1 1 675 675 ILE C C 675 176.683 176.683 177.673 -0.990 19515 400 1 3 . 1 1 675 675 ILE CA C 675 63.208 63.208 61.778 1.430 19515 401 1 3 . 1 1 675 675 ILE CB C 675 38.336 38.336 37.322 1.014 19515 402 1 3 . 1 1 675 675 ILE H H 675 8.196 8.196 8.289 -0.093 19515 403 1 3 . 1 1 676 676 THR N N 676 111.977 111.977 113.274 -1.297 19515 404 1 3 . 1 1 676 676 THR HA H 676 3.903 3.903 4.024 -0.121 19515 405 1 3 . 1 1 676 676 THR C C 676 176.347 176.347 176.668 -0.321 19515 406 1 3 . 1 1 676 676 THR CA C 676 65.643 65.643 65.879 -0.236 19515 407 1 3 . 1 1 676 676 THR CB C 676 68.453 68.453 68.455 -0.002 19515 408 1 3 . 1 1 676 676 THR H H 676 8.114 8.114 8.323 -0.209 19515 409 1 3 . 1 1 677 677 LYS N N 677 119.101 119.101 120.945 -1.844 19515 410 1 3 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.155 -0.140 19515 411 1 3 . 1 1 677 677 LYS C C 677 177.394 177.394 178.476 -1.082 19515 412 1 3 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.184 -1.041 19515 413 1 3 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.109 0.016 19515 414 1 3 . 1 1 677 677 LYS H H 677 7.512 7.512 8.051 -0.539 19515 415 1 3 . 1 1 678 678 TRP N N 678 116.945 116.945 119.592 -2.647 19515 416 1 3 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.551 0.134 19515 417 1 3 . 1 1 678 678 TRP C C 678 176.964 176.964 178.925 -1.961 19515 418 1 3 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.342 -2.084 19515 419 1 3 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.138 -0.319 19515 420 1 3 . 1 1 678 678 TRP H H 678 7.525 7.525 8.408 -0.883 19515 421 1 3 . 1 1 679 679 LEU N N 679 116.664 116.664 119.885 -3.221 19515 422 1 3 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.183 -0.101 19515 423 1 3 . 1 1 679 679 LEU C C 679 177.458 177.458 178.926 -1.468 19515 424 1 3 . 1 1 679 679 LEU CA C 679 56.839 56.839 57.804 -0.965 19515 425 1 3 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.278 0.634 19515 426 1 3 . 1 1 679 679 LEU H H 679 7.786 7.786 8.509 -0.723 19515 427 1 3 . 1 1 680 680 TRP N N 680 116.195 116.195 120.997 -4.802 19515 428 1 3 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.522 -0.166 19515 429 1 3 . 1 1 680 680 TRP C C 680 176.394 176.394 178.231 -1.837 19515 430 1 3 . 1 1 680 680 TRP CA C 680 58.948 58.948 60.797 -1.849 19515 431 1 3 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.625 -0.490 19515 432 1 3 . 1 1 680 680 TRP H H 680 7.547 7.547 8.836 -1.289 19515 433 1 3 . 1 1 681 681 TYR N N 681 115.352 115.352 118.210 -2.858 19515 434 1 3 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.434 -0.284 19515 435 1 3 . 1 1 681 681 TYR C C 681 175.671 175.671 176.762 -1.091 19515 436 1 3 . 1 1 681 681 TYR CA C 681 59.780 59.780 61.045 -1.266 19515 437 1 3 . 1 1 681 681 TYR CB C 681 39.011 39.011 38.881 0.130 19515 438 1 3 . 1 1 681 681 TYR H H 681 7.471 7.471 7.963 -0.492 19515 439 1 3 . 1 1 682 682 ILE N N 682 113.570 113.570 116.477 -2.907 19515 440 1 3 . 1 1 682 682 ILE HA H 682 4.211 4.211 4.275 -0.064 19515 441 1 3 . 1 1 682 682 ILE C C 682 174.166 174.166 176.717 -2.551 19515 442 1 3 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.351 -0.187 19515 443 1 3 . 1 1 682 682 ILE CB C 682 38.869 38.869 38.437 0.432 19515 444 1 3 . 1 1 682 682 ILE H H 682 7.471 7.471 7.628 -0.157 19515 445 1 4 . 1 1 658 658 LYS HA H 658 4.292 4.292 4.217 0.075 19515 446 1 4 . 1 1 658 658 LYS C C 658 175.668 175.668 175.799 -0.131 19515 447 1 4 . 1 1 658 658 LYS CA C 658 56.747 56.747 56.719 0.028 19515 448 1 4 . 1 1 658 658 LYS CB C 658 32.868 32.868 32.931 -0.063 19515 449 1 4 . 1 1 659 659 ASP N N 659 120.320 120.320 124.164 -3.844 19515 450 1 4 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.805 -0.222 19515 451 1 4 . 1 1 659 659 ASP C C 659 176.214 176.214 176.208 0.006 19515 452 1 4 . 1 1 659 659 ASP CA C 659 54.342 54.342 53.722 0.620 19515 453 1 4 . 1 1 659 659 ASP CB C 659 41.140 41.140 42.401 -1.261 19515 454 1 4 . 1 1 659 659 ASP H H 659 8.360 8.360 8.473 -0.113 19515 455 1 4 . 1 1 660 660 LEU N N 660 121.445 121.445 123.687 -2.242 19515 456 1 4 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.425 -0.204 19515 457 1 4 . 1 1 660 660 LEU C C 660 177.071 177.071 178.311 -1.240 19515 458 1 4 . 1 1 660 660 LEU CA C 660 56.317 56.317 56.053 0.265 19515 459 1 4 . 1 1 660 660 LEU CB C 660 42.498 42.498 42.705 -0.207 19515 460 1 4 . 1 1 660 660 LEU H H 660 8.388 8.388 8.812 -0.424 19515 461 1 4 . 1 1 661 661 LEU N N 661 118.164 118.164 119.151 -0.987 19515 462 1 4 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.542 -0.221 19515 463 1 4 . 1 1 661 661 LEU C C 661 176.473 176.473 176.357 0.116 19515 464 1 4 . 1 1 661 661 LEU CA C 661 54.791 54.791 54.065 0.726 19515 465 1 4 . 1 1 661 661 LEU CB C 661 42.060 42.060 41.972 0.088 19515 466 1 4 . 1 1 661 661 LEU H H 661 8.114 8.114 7.995 0.118 19515 467 1 4 . 1 1 662 662 ALA N N 662 122.289 122.289 122.943 -0.654 19515 468 1 4 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.270 0.066 19515 469 1 4 . 1 1 662 662 ALA C C 662 177.849 177.849 178.979 -1.130 19515 470 1 4 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.670 -0.155 19515 471 1 4 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.701 1.512 19515 472 1 4 . 1 1 662 662 ALA H H 662 7.936 7.936 7.427 0.509 19515 473 1 4 . 1 1 663 663 LEU N N 663 119.570 119.570 127.035 -7.465 19515 474 1 4 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.079 0.121 19515 475 1 4 . 1 1 663 663 LEU C C 663 177.653 177.653 178.397 -0.744 19515 476 1 4 . 1 1 663 663 LEU CA C 663 56.516 56.516 57.784 -1.268 19515 477 1 4 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.783 0.249 19515 478 1 4 . 1 1 663 663 LEU H H 663 8.210 8.210 8.449 -0.239 19515 479 1 4 . 1 1 664 664 ASP N N 664 117.320 117.320 117.767 -0.447 19515 480 1 4 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.428 0.077 19515 481 1 4 . 1 1 664 664 ASP C C 664 177.568 177.568 177.598 -0.030 19515 482 1 4 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.874 -1.195 19515 483 1 4 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.636 -0.168 19515 484 1 4 . 1 1 664 664 ASP H H 664 8.360 8.360 8.621 -0.261 19515 485 1 4 . 1 1 665 665 LYS N N 665 118.403 118.403 116.936 1.467 19515 486 1 4 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.376 -0.188 19515 487 1 4 . 1 1 665 665 LYS C C 665 177.428 177.428 178.747 -1.319 19515 488 1 4 . 1 1 665 665 LYS CA C 665 57.552 57.552 56.980 0.572 19515 489 1 4 . 1 1 665 665 LYS CB C 665 32.253 32.253 33.151 -0.899 19515 490 1 4 . 1 1 665 665 LYS H H 665 7.957 7.957 8.212 -0.255 19515 491 1 4 . 1 1 666 666 TRP N N 666 119.008 119.008 121.253 -2.245 19515 492 1 4 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.091 0.427 19515 493 1 4 . 1 1 666 666 TRP C C 666 176.614 176.614 177.113 -0.499 19515 494 1 4 . 1 1 666 666 TRP CA C 666 58.613 58.613 59.929 -1.316 19515 495 1 4 . 1 1 666 666 TRP CB C 666 29.388 29.388 28.966 0.422 19515 496 1 4 . 1 1 666 666 TRP H H 666 8.018 8.018 7.336 0.682 19515 497 1 4 . 1 1 667 667 ASN N N 667 115.789 115.789 117.495 -1.706 19515 498 1 4 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.283 0.122 19515 499 1 4 . 1 1 667 667 ASN C C 667 177.139 177.139 177.263 -0.124 19515 500 1 4 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.514 -0.876 19515 501 1 4 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.069 0.490 19515 502 1 4 . 1 1 667 667 ASN H H 667 8.177 8.177 8.053 0.124 19515 503 1 4 . 1 1 668 668 SER N N 668 114.122 114.122 114.729 -0.607 19515 504 1 4 . 1 1 668 668 SER HA H 668 4.339 4.339 4.403 -0.064 19515 505 1 4 . 1 1 668 668 SER C C 668 175.509 175.509 176.184 -0.675 19515 506 1 4 . 1 1 668 668 SER CA C 668 60.480 60.480 60.928 -0.448 19515 507 1 4 . 1 1 668 668 SER CB C 668 63.178 63.178 63.319 -0.141 19515 508 1 4 . 1 1 668 668 SER H H 668 8.113 8.113 7.539 0.574 19515 509 1 4 . 1 1 669 669 LEU N N 669 121.445 121.445 121.774 -0.329 19515 510 1 4 . 1 1 669 669 LEU HA H 669 3.979 3.979 3.915 0.064 19515 511 1 4 . 1 1 669 669 LEU C C 669 177.357 177.357 177.556 -0.199 19515 512 1 4 . 1 1 669 669 LEU CA C 669 57.507 57.507 57.789 -0.282 19515 513 1 4 . 1 1 669 669 LEU CB C 669 41.986 41.986 41.747 0.239 19515 514 1 4 . 1 1 669 669 LEU H H 669 7.813 7.813 7.714 0.099 19515 515 1 4 . 1 1 670 670 TRP N N 670 115.164 115.164 118.009 -2.845 19515 516 1 4 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.451 0.190 19515 517 1 4 . 1 1 670 670 TRP C C 670 177.139 177.139 177.643 -0.504 19515 518 1 4 . 1 1 670 670 TRP CA C 670 58.242 58.242 58.097 0.145 19515 519 1 4 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.676 -0.145 19515 520 1 4 . 1 1 670 670 TRP H H 670 7.554 7.554 7.693 -0.139 19515 521 1 4 . 1 1 671 671 SER N N 671 111.992 111.992 115.345 -3.353 19515 522 1 4 . 1 1 671 671 SER HA H 671 4.396 4.396 4.515 -0.119 19515 523 1 4 . 1 1 671 671 SER C C 671 175.159 175.159 175.636 -0.477 19515 524 1 4 . 1 1 671 671 SER CA C 671 60.034 60.034 60.522 -0.488 19515 525 1 4 . 1 1 671 671 SER CB C 671 63.623 63.623 63.778 -0.155 19515 526 1 4 . 1 1 671 671 SER H H 671 7.988 7.988 7.818 0.170 19515 527 1 4 . 1 1 672 672 TRP N N 672 120.173 120.173 119.327 0.846 19515 528 1 4 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.850 -0.325 19515 529 1 4 . 1 1 672 672 TRP C C 672 176.153 176.153 176.805 -0.652 19515 530 1 4 . 1 1 672 672 TRP CA C 672 58.637 58.637 56.531 2.106 19515 531 1 4 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.820 -0.157 19515 532 1 4 . 1 1 672 672 TRP H H 672 7.872 7.872 7.066 0.806 19515 533 1 4 . 1 1 673 673 PHE N N 673 117.414 117.414 120.547 -3.133 19515 534 1 4 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.554 -0.176 19515 535 1 4 . 1 1 673 673 PHE C C 673 174.357 174.357 174.919 -0.562 19515 536 1 4 . 1 1 673 673 PHE CA C 673 58.139 58.139 57.101 1.038 19515 537 1 4 . 1 1 673 673 PHE CB C 673 39.384 39.384 38.950 0.433 19515 538 1 4 . 1 1 673 673 PHE H H 673 7.783 7.783 7.272 0.511 19515 539 1 4 . 1 1 674 674 ASP N N 674 120.414 120.414 122.547 -2.133 19515 540 1 4 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.676 -0.044 19515 541 1 4 . 1 1 674 674 ASP C C 674 176.749 176.749 176.308 0.441 19515 542 1 4 . 1 1 674 674 ASP CA C 674 53.569 53.569 54.027 -0.458 19515 543 1 4 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.057 0.598 19515 544 1 4 . 1 1 674 674 ASP H H 674 7.725 7.725 8.266 -0.541 19515 545 1 4 . 1 1 675 675 ILE N N 675 120.320 120.320 124.841 -4.521 19515 546 1 4 . 1 1 675 675 ILE HA H 675 3.791 3.791 3.947 -0.156 19515 547 1 4 . 1 1 675 675 ILE C C 675 176.683 176.683 178.016 -1.333 19515 548 1 4 . 1 1 675 675 ILE CA C 675 63.208 63.208 61.142 2.066 19515 549 1 4 . 1 1 675 675 ILE CB C 675 38.336 38.336 37.201 1.135 19515 550 1 4 . 1 1 675 675 ILE H H 675 8.196 8.196 7.894 0.302 19515 551 1 4 . 1 1 676 676 THR N N 676 111.977 111.977 114.563 -2.586 19515 552 1 4 . 1 1 676 676 THR HA H 676 3.903 3.903 3.920 -0.017 19515 553 1 4 . 1 1 676 676 THR C C 676 176.347 176.347 176.656 -0.309 19515 554 1 4 . 1 1 676 676 THR CA C 676 65.643 65.643 66.199 -0.556 19515 555 1 4 . 1 1 676 676 THR CB C 676 68.453 68.453 68.153 0.299 19515 556 1 4 . 1 1 676 676 THR H H 676 8.114 8.114 8.315 -0.201 19515 557 1 4 . 1 1 677 677 LYS N N 677 119.101 119.101 120.804 -1.703 19515 558 1 4 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.146 -0.131 19515 559 1 4 . 1 1 677 677 LYS C C 677 177.394 177.394 178.705 -1.311 19515 560 1 4 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.202 -1.059 19515 561 1 4 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.319 -0.194 19515 562 1 4 . 1 1 677 677 LYS H H 677 7.512 7.512 8.176 -0.664 19515 563 1 4 . 1 1 678 678 TRP N N 678 116.945 116.945 119.612 -2.667 19515 564 1 4 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.654 0.031 19515 565 1 4 . 1 1 678 678 TRP C C 678 176.964 176.964 178.963 -1.999 19515 566 1 4 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.395 -2.137 19515 567 1 4 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.192 -0.372 19515 568 1 4 . 1 1 678 678 TRP H H 678 7.525 7.525 8.445 -0.920 19515 569 1 4 . 1 1 679 679 LEU N N 679 116.664 116.664 119.892 -3.228 19515 570 1 4 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.183 -0.101 19515 571 1 4 . 1 1 679 679 LEU C C 679 177.458 177.458 178.914 -1.456 19515 572 1 4 . 1 1 679 679 LEU CA C 679 56.839 56.839 57.772 -0.933 19515 573 1 4 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.274 0.638 19515 574 1 4 . 1 1 679 679 LEU H H 679 7.786 7.786 8.476 -0.690 19515 575 1 4 . 1 1 680 680 TRP N N 680 116.195 116.195 120.999 -4.804 19515 576 1 4 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.324 0.033 19515 577 1 4 . 1 1 680 680 TRP C C 680 176.394 176.394 177.661 -1.267 19515 578 1 4 . 1 1 680 680 TRP CA C 680 58.948 58.948 61.169 -2.220 19515 579 1 4 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.599 -0.464 19515 580 1 4 . 1 1 680 680 TRP H H 680 7.547 7.547 8.912 -1.365 19515 581 1 4 . 1 1 681 681 TYR N N 681 115.352 115.352 118.169 -2.817 19515 582 1 4 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.415 -0.265 19515 583 1 4 . 1 1 681 681 TYR C C 681 175.671 175.671 176.771 -1.100 19515 584 1 4 . 1 1 681 681 TYR CA C 681 59.780 59.780 60.968 -1.188 19515 585 1 4 . 1 1 681 681 TYR CB C 681 39.011 39.011 38.980 0.032 19515 586 1 4 . 1 1 681 681 TYR H H 681 7.471 7.471 7.914 -0.443 19515 587 1 4 . 1 1 682 682 ILE N N 682 113.570 113.570 116.480 -2.910 19515 588 1 4 . 1 1 682 682 ILE HA H 682 4.211 4.211 4.293 -0.082 19515 589 1 4 . 1 1 682 682 ILE C C 682 174.166 174.166 176.759 -2.593 19515 590 1 4 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.457 -0.293 19515 591 1 4 . 1 1 682 682 ILE CB C 682 38.869 38.869 38.292 0.577 19515 592 1 4 . 1 1 682 682 ILE H H 682 7.471 7.471 7.603 -0.132 19515 593 1 5 . 1 1 658 658 LYS HA H 658 4.292 4.292 4.496 -0.204 19515 594 1 5 . 1 1 658 658 LYS C C 658 175.668 175.668 174.929 0.739 19515 595 1 5 . 1 1 658 658 LYS CA C 658 56.747 56.747 55.678 1.069 19515 596 1 5 . 1 1 658 658 LYS CB C 658 32.868 32.868 32.344 0.524 19515 597 1 5 . 1 1 659 659 ASP N N 659 120.320 120.320 120.964 -0.644 19515 598 1 5 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.566 0.017 19515 599 1 5 . 1 1 659 659 ASP C C 659 176.214 176.214 177.131 -0.917 19515 600 1 5 . 1 1 659 659 ASP CA C 659 54.342 54.342 55.201 -0.859 19515 601 1 5 . 1 1 659 659 ASP CB C 659 41.140 41.140 41.510 -0.370 19515 602 1 5 . 1 1 659 659 ASP H H 659 8.360 8.360 8.268 0.092 19515 603 1 5 . 1 1 660 660 LEU N N 660 121.445 121.445 123.768 -2.323 19515 604 1 5 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.137 0.084 19515 605 1 5 . 1 1 660 660 LEU C C 660 177.071 177.071 177.318 -0.247 19515 606 1 5 . 1 1 660 660 LEU CA C 660 56.317 56.317 56.725 -0.408 19515 607 1 5 . 1 1 660 660 LEU CB C 660 42.498 42.498 42.229 0.269 19515 608 1 5 . 1 1 660 660 LEU H H 660 8.388 8.388 8.391 -0.003 19515 609 1 5 . 1 1 661 661 LEU N N 661 118.164 118.164 118.818 -0.654 19515 610 1 5 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.663 -0.343 19515 611 1 5 . 1 1 661 661 LEU C C 661 176.473 176.473 176.185 0.288 19515 612 1 5 . 1 1 661 661 LEU CA C 661 54.791 54.791 54.753 0.038 19515 613 1 5 . 1 1 661 661 LEU CB C 661 42.060 42.060 42.272 -0.212 19515 614 1 5 . 1 1 661 661 LEU H H 661 8.114 8.114 7.822 0.292 19515 615 1 5 . 1 1 662 662 ALA N N 662 122.289 122.289 122.771 -0.482 19515 616 1 5 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.329 0.007 19515 617 1 5 . 1 1 662 662 ALA C C 662 177.849 177.849 178.798 -0.949 19515 618 1 5 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.633 -0.117 19515 619 1 5 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.411 1.802 19515 620 1 5 . 1 1 662 662 ALA H H 662 7.936 7.936 8.103 -0.167 19515 621 1 5 . 1 1 663 663 LEU N N 663 119.570 119.570 125.018 -5.448 19515 622 1 5 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.165 0.035 19515 623 1 5 . 1 1 663 663 LEU C C 663 177.653 177.653 178.035 -0.382 19515 624 1 5 . 1 1 663 663 LEU CA C 663 56.516 56.516 57.706 -1.190 19515 625 1 5 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.934 0.098 19515 626 1 5 . 1 1 663 663 LEU H H 663 8.210 8.210 8.118 0.092 19515 627 1 5 . 1 1 664 664 ASP N N 664 117.320 117.320 116.331 0.989 19515 628 1 5 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.422 0.083 19515 629 1 5 . 1 1 664 664 ASP C C 664 177.568 177.568 177.714 -0.146 19515 630 1 5 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.454 -0.775 19515 631 1 5 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.257 0.211 19515 632 1 5 . 1 1 664 664 ASP H H 664 8.360 8.360 8.533 -0.173 19515 633 1 5 . 1 1 665 665 LYS N N 665 118.403 118.403 118.371 0.032 19515 634 1 5 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.469 -0.281 19515 635 1 5 . 1 1 665 665 LYS C C 665 177.428 177.428 178.248 -0.820 19515 636 1 5 . 1 1 665 665 LYS CA C 665 57.552 57.552 56.545 1.007 19515 637 1 5 . 1 1 665 665 LYS CB C 665 32.253 32.253 32.758 -0.505 19515 638 1 5 . 1 1 665 665 LYS H H 665 7.957 7.957 8.094 -0.137 19515 639 1 5 . 1 1 666 666 TRP N N 666 119.008 119.008 121.457 -2.449 19515 640 1 5 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.302 0.216 19515 641 1 5 . 1 1 666 666 TRP C C 666 176.614 176.614 177.741 -1.127 19515 642 1 5 . 1 1 666 666 TRP CA C 666 58.613 58.613 61.219 -2.606 19515 643 1 5 . 1 1 666 666 TRP CB C 666 29.388 29.388 29.261 0.128 19515 644 1 5 . 1 1 666 666 TRP H H 666 8.018 8.018 7.847 0.171 19515 645 1 5 . 1 1 667 667 ASN N N 667 115.789 115.789 117.860 -2.071 19515 646 1 5 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.626 -0.221 19515 647 1 5 . 1 1 667 667 ASN C C 667 177.139 177.139 177.591 -0.452 19515 648 1 5 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.585 -0.947 19515 649 1 5 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.475 0.084 19515 650 1 5 . 1 1 667 667 ASN H H 667 8.177 8.177 8.188 -0.011 19515 651 1 5 . 1 1 668 668 SER N N 668 114.122 114.122 115.349 -1.227 19515 652 1 5 . 1 1 668 668 SER HA H 668 4.339 4.339 4.443 -0.104 19515 653 1 5 . 1 1 668 668 SER C C 668 175.509 175.509 176.195 -0.686 19515 654 1 5 . 1 1 668 668 SER CA C 668 60.480 60.480 61.418 -0.938 19515 655 1 5 . 1 1 668 668 SER CB C 668 63.178 63.178 63.450 -0.272 19515 656 1 5 . 1 1 668 668 SER H H 668 8.113 8.113 7.721 0.392 19515 657 1 5 . 1 1 669 669 LEU N N 669 121.445 121.445 121.623 -0.178 19515 658 1 5 . 1 1 669 669 LEU HA H 669 3.979 3.979 3.819 0.160 19515 659 1 5 . 1 1 669 669 LEU C C 669 177.357 177.357 177.360 -0.003 19515 660 1 5 . 1 1 669 669 LEU CA C 669 57.507 57.507 57.451 0.056 19515 661 1 5 . 1 1 669 669 LEU CB C 669 41.986 41.986 41.963 0.023 19515 662 1 5 . 1 1 669 669 LEU H H 669 7.813 7.813 7.867 -0.054 19515 663 1 5 . 1 1 670 670 TRP N N 670 115.164 115.164 118.254 -3.090 19515 664 1 5 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.477 0.164 19515 665 1 5 . 1 1 670 670 TRP C C 670 177.139 177.139 177.742 -0.603 19515 666 1 5 . 1 1 670 670 TRP CA C 670 58.242 58.242 58.995 -0.753 19515 667 1 5 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.679 -0.148 19515 668 1 5 . 1 1 670 670 TRP H H 670 7.554 7.554 7.909 -0.355 19515 669 1 5 . 1 1 671 671 SER N N 671 111.992 111.992 115.356 -3.364 19515 670 1 5 . 1 1 671 671 SER HA H 671 4.396 4.396 4.521 -0.125 19515 671 1 5 . 1 1 671 671 SER C C 671 175.159 175.159 175.716 -0.557 19515 672 1 5 . 1 1 671 671 SER CA C 671 60.034 60.034 60.779 -0.745 19515 673 1 5 . 1 1 671 671 SER CB C 671 63.623 63.623 63.621 0.002 19515 674 1 5 . 1 1 671 671 SER H H 671 7.988 7.988 7.834 0.154 19515 675 1 5 . 1 1 672 672 TRP N N 672 120.173 120.173 118.593 1.580 19515 676 1 5 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.828 -0.303 19515 677 1 5 . 1 1 672 672 TRP C C 672 176.153 176.153 176.415 -0.262 19515 678 1 5 . 1 1 672 672 TRP CA C 672 58.637 58.637 56.484 2.153 19515 679 1 5 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.649 0.014 19515 680 1 5 . 1 1 672 672 TRP H H 672 7.872 7.872 6.987 0.885 19515 681 1 5 . 1 1 673 673 PHE N N 673 117.414 117.414 120.689 -3.275 19515 682 1 5 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.496 -0.118 19515 683 1 5 . 1 1 673 673 PHE C C 673 174.357 174.357 174.743 -0.386 19515 684 1 5 . 1 1 673 673 PHE CA C 673 58.139 58.139 56.456 1.683 19515 685 1 5 . 1 1 673 673 PHE CB C 673 39.384 39.384 38.934 0.450 19515 686 1 5 . 1 1 673 673 PHE H H 673 7.783 7.783 7.136 0.647 19515 687 1 5 . 1 1 674 674 ASP N N 674 120.414 120.414 120.079 0.335 19515 688 1 5 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.814 -0.182 19515 689 1 5 . 1 1 674 674 ASP C C 674 176.749 176.749 176.475 0.274 19515 690 1 5 . 1 1 674 674 ASP CA C 674 53.569 53.569 53.993 -0.424 19515 691 1 5 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.288 0.367 19515 692 1 5 . 1 1 674 674 ASP H H 674 7.725 7.725 8.073 -0.348 19515 693 1 5 . 1 1 675 675 ILE N N 675 120.320 120.320 123.991 -3.671 19515 694 1 5 . 1 1 675 675 ILE HA H 675 3.791 3.791 4.018 -0.227 19515 695 1 5 . 1 1 675 675 ILE C C 675 176.683 176.683 177.901 -1.218 19515 696 1 5 . 1 1 675 675 ILE CA C 675 63.208 63.208 60.991 2.217 19515 697 1 5 . 1 1 675 675 ILE CB C 675 38.336 38.336 37.156 1.180 19515 698 1 5 . 1 1 675 675 ILE H H 675 8.196 8.196 8.098 0.098 19515 699 1 5 . 1 1 676 676 THR N N 676 111.977 111.977 113.392 -1.415 19515 700 1 5 . 1 1 676 676 THR HA H 676 3.903 3.903 4.033 -0.130 19515 701 1 5 . 1 1 676 676 THR C C 676 176.347 176.347 176.733 -0.386 19515 702 1 5 . 1 1 676 676 THR CA C 676 65.643 65.643 66.016 -0.373 19515 703 1 5 . 1 1 676 676 THR CB C 676 68.453 68.453 68.495 -0.042 19515 704 1 5 . 1 1 676 676 THR H H 676 8.114 8.114 8.456 -0.342 19515 705 1 5 . 1 1 677 677 LYS N N 677 119.101 119.101 120.943 -1.842 19515 706 1 5 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.174 -0.159 19515 707 1 5 . 1 1 677 677 LYS C C 677 177.394 177.394 178.550 -1.156 19515 708 1 5 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.229 -1.086 19515 709 1 5 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.179 -0.054 19515 710 1 5 . 1 1 677 677 LYS H H 677 7.512 7.512 8.127 -0.615 19515 711 1 5 . 1 1 678 678 TRP N N 678 116.945 116.945 119.676 -2.731 19515 712 1 5 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.687 -0.002 19515 713 1 5 . 1 1 678 678 TRP C C 678 176.964 176.964 178.997 -2.033 19515 714 1 5 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.448 -2.190 19515 715 1 5 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.225 -0.406 19515 716 1 5 . 1 1 678 678 TRP H H 678 7.525 7.525 8.484 -0.959 19515 717 1 5 . 1 1 679 679 LEU N N 679 116.664 116.664 119.925 -3.261 19515 718 1 5 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.210 -0.128 19515 719 1 5 . 1 1 679 679 LEU C C 679 177.458 177.458 178.949 -1.491 19515 720 1 5 . 1 1 679 679 LEU CA C 679 56.839 56.839 57.815 -0.976 19515 721 1 5 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.305 0.607 19515 722 1 5 . 1 1 679 679 LEU H H 679 7.786 7.786 8.549 -0.763 19515 723 1 5 . 1 1 680 680 TRP N N 680 116.195 116.195 121.105 -4.910 19515 724 1 5 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.370 -0.013 19515 725 1 5 . 1 1 680 680 TRP C C 680 176.394 176.394 177.993 -1.599 19515 726 1 5 . 1 1 680 680 TRP CA C 680 58.948 58.948 60.900 -1.952 19515 727 1 5 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.543 -0.408 19515 728 1 5 . 1 1 680 680 TRP H H 680 7.547 7.547 8.867 -1.320 19515 729 1 5 . 1 1 681 681 TYR N N 681 115.352 115.352 118.168 -2.816 19515 730 1 5 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.432 -0.282 19515 731 1 5 . 1 1 681 681 TYR C C 681 175.671 175.671 176.781 -1.110 19515 732 1 5 . 1 1 681 681 TYR CA C 681 59.780 59.780 61.042 -1.262 19515 733 1 5 . 1 1 681 681 TYR CB C 681 39.011 39.011 38.967 0.044 19515 734 1 5 . 1 1 681 681 TYR H H 681 7.471 7.471 7.922 -0.451 19515 735 1 5 . 1 1 682 682 ILE N N 682 113.570 113.570 116.218 -2.648 19515 736 1 5 . 1 1 682 682 ILE HA H 682 4.211 4.211 4.320 -0.109 19515 737 1 5 . 1 1 682 682 ILE C C 682 174.166 174.166 176.838 -2.672 19515 738 1 5 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.370 -0.206 19515 739 1 5 . 1 1 682 682 ILE CB C 682 38.869 38.869 38.417 0.452 19515 740 1 5 . 1 1 682 682 ILE H H 682 7.471 7.471 7.591 -0.120 19515 741 1 6 . 1 1 658 658 LYS HA H 658 4.292 4.292 4.510 -0.218 19515 742 1 6 . 1 1 658 658 LYS C C 658 175.668 175.668 174.486 1.182 19515 743 1 6 . 1 1 658 658 LYS CA C 658 56.747 56.747 56.112 0.635 19515 744 1 6 . 1 1 658 658 LYS CB C 658 32.868 32.868 32.891 -0.023 19515 745 1 6 . 1 1 659 659 ASP N N 659 120.320 120.320 120.777 -0.457 19515 746 1 6 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.779 -0.196 19515 747 1 6 . 1 1 659 659 ASP C C 659 176.214 176.214 176.812 -0.598 19515 748 1 6 . 1 1 659 659 ASP CA C 659 54.342 54.342 53.882 0.460 19515 749 1 6 . 1 1 659 659 ASP CB C 659 41.140 41.140 41.512 -0.372 19515 750 1 6 . 1 1 659 659 ASP H H 659 8.360 8.360 8.041 0.319 19515 751 1 6 . 1 1 660 660 LEU N N 660 121.445 121.445 124.320 -2.875 19515 752 1 6 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.348 -0.127 19515 753 1 6 . 1 1 660 660 LEU C C 660 177.071 177.071 178.136 -1.065 19515 754 1 6 . 1 1 660 660 LEU CA C 660 56.317 56.317 56.301 0.016 19515 755 1 6 . 1 1 660 660 LEU CB C 660 42.498 42.498 42.522 -0.023 19515 756 1 6 . 1 1 660 660 LEU H H 660 8.388 8.388 8.854 -0.466 19515 757 1 6 . 1 1 661 661 LEU N N 661 118.164 118.164 119.105 -0.941 19515 758 1 6 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.644 -0.323 19515 759 1 6 . 1 1 661 661 LEU C C 661 176.473 176.473 176.411 0.062 19515 760 1 6 . 1 1 661 661 LEU CA C 661 54.791 54.791 54.163 0.628 19515 761 1 6 . 1 1 661 661 LEU CB C 661 42.060 42.060 42.074 -0.014 19515 762 1 6 . 1 1 661 661 LEU H H 661 8.114 8.114 7.999 0.115 19515 763 1 6 . 1 1 662 662 ALA N N 662 122.289 122.289 123.294 -1.005 19515 764 1 6 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.290 0.046 19515 765 1 6 . 1 1 662 662 ALA C C 662 177.849 177.849 178.775 -0.926 19515 766 1 6 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.612 -0.096 19515 767 1 6 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.416 1.797 19515 768 1 6 . 1 1 662 662 ALA H H 662 7.936 7.936 7.377 0.559 19515 769 1 6 . 1 1 663 663 LEU N N 663 119.570 119.570 125.040 -5.470 19515 770 1 6 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.138 0.062 19515 771 1 6 . 1 1 663 663 LEU C C 663 177.653 177.653 178.077 -0.424 19515 772 1 6 . 1 1 663 663 LEU CA C 663 56.516 56.516 57.693 -1.177 19515 773 1 6 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.657 0.375 19515 774 1 6 . 1 1 663 663 LEU H H 663 8.210 8.210 8.105 0.105 19515 775 1 6 . 1 1 664 664 ASP N N 664 117.320 117.320 116.179 1.141 19515 776 1 6 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.391 0.114 19515 777 1 6 . 1 1 664 664 ASP C C 664 177.568 177.568 177.618 -0.050 19515 778 1 6 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.471 -0.792 19515 779 1 6 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.238 0.230 19515 780 1 6 . 1 1 664 664 ASP H H 664 8.360 8.360 8.586 -0.226 19515 781 1 6 . 1 1 665 665 LYS N N 665 118.403 118.403 118.131 0.272 19515 782 1 6 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.481 -0.293 19515 783 1 6 . 1 1 665 665 LYS C C 665 177.428 177.428 178.332 -0.904 19515 784 1 6 . 1 1 665 665 LYS CA C 665 57.552 57.552 57.244 0.308 19515 785 1 6 . 1 1 665 665 LYS CB C 665 32.253 32.253 33.066 -0.813 19515 786 1 6 . 1 1 665 665 LYS H H 665 7.957 7.957 8.080 -0.123 19515 787 1 6 . 1 1 666 666 TRP N N 666 119.008 119.008 121.885 -2.877 19515 788 1 6 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.445 0.073 19515 789 1 6 . 1 1 666 666 TRP C C 666 176.614 176.614 177.726 -1.112 19515 790 1 6 . 1 1 666 666 TRP CA C 666 58.613 58.613 61.059 -2.446 19515 791 1 6 . 1 1 666 666 TRP CB C 666 29.388 29.388 29.484 -0.096 19515 792 1 6 . 1 1 666 666 TRP H H 666 8.018 8.018 7.798 0.220 19515 793 1 6 . 1 1 667 667 ASN N N 667 115.789 115.789 118.061 -2.272 19515 794 1 6 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.493 -0.088 19515 795 1 6 . 1 1 667 667 ASN C C 667 177.139 177.139 177.536 -0.397 19515 796 1 6 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.704 -1.066 19515 797 1 6 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.420 0.139 19515 798 1 6 . 1 1 667 667 ASN H H 667 8.177 8.177 8.032 0.145 19515 799 1 6 . 1 1 668 668 SER N N 668 114.122 114.122 115.516 -1.394 19515 800 1 6 . 1 1 668 668 SER HA H 668 4.339 4.339 4.439 -0.100 19515 801 1 6 . 1 1 668 668 SER C C 668 175.509 175.509 176.030 -0.521 19515 802 1 6 . 1 1 668 668 SER CA C 668 60.480 60.480 61.355 -0.875 19515 803 1 6 . 1 1 668 668 SER CB C 668 63.178 63.178 63.561 -0.383 19515 804 1 6 . 1 1 668 668 SER H H 668 8.113 8.113 7.661 0.452 19515 805 1 6 . 1 1 669 669 LEU N N 669 121.445 121.445 120.915 0.530 19515 806 1 6 . 1 1 669 669 LEU HA H 669 3.979 3.979 3.833 0.146 19515 807 1 6 . 1 1 669 669 LEU C C 669 177.357 177.357 177.590 -0.233 19515 808 1 6 . 1 1 669 669 LEU CA C 669 57.507 57.507 57.119 0.388 19515 809 1 6 . 1 1 669 669 LEU CB C 669 41.986 41.986 42.178 -0.192 19515 810 1 6 . 1 1 669 669 LEU H H 669 7.813 7.813 7.960 -0.147 19515 811 1 6 . 1 1 670 670 TRP N N 670 115.164 115.164 115.565 -0.401 19515 812 1 6 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.473 0.168 19515 813 1 6 . 1 1 670 670 TRP C C 670 177.139 177.139 176.653 0.486 19515 814 1 6 . 1 1 670 670 TRP CA C 670 58.242 58.242 59.242 -1.000 19515 815 1 6 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.486 0.045 19515 816 1 6 . 1 1 670 670 TRP H H 670 7.554 7.554 7.762 -0.208 19515 817 1 6 . 1 1 671 671 SER N N 671 111.992 111.992 113.060 -1.068 19515 818 1 6 . 1 1 671 671 SER HA H 671 4.396 4.396 4.543 -0.147 19515 819 1 6 . 1 1 671 671 SER C C 671 175.159 175.159 175.469 -0.310 19515 820 1 6 . 1 1 671 671 SER CA C 671 60.034 60.034 60.456 -0.422 19515 821 1 6 . 1 1 671 671 SER CB C 671 63.623 63.623 63.877 -0.253 19515 822 1 6 . 1 1 671 671 SER H H 671 7.988 7.988 7.722 0.266 19515 823 1 6 . 1 1 672 672 TRP N N 672 120.173 120.173 118.420 1.753 19515 824 1 6 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.856 -0.331 19515 825 1 6 . 1 1 672 672 TRP C C 672 176.153 176.153 176.425 -0.272 19515 826 1 6 . 1 1 672 672 TRP CA C 672 58.637 58.637 56.423 2.214 19515 827 1 6 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.232 0.431 19515 828 1 6 . 1 1 672 672 TRP H H 672 7.872 7.872 6.962 0.910 19515 829 1 6 . 1 1 673 673 PHE N N 673 117.414 117.414 120.843 -3.429 19515 830 1 6 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.455 -0.077 19515 831 1 6 . 1 1 673 673 PHE C C 673 174.357 174.357 174.453 -0.096 19515 832 1 6 . 1 1 673 673 PHE CA C 673 58.139 58.139 57.099 1.040 19515 833 1 6 . 1 1 673 673 PHE CB C 673 39.384 39.384 38.539 0.845 19515 834 1 6 . 1 1 673 673 PHE H H 673 7.783 7.783 6.956 0.827 19515 835 1 6 . 1 1 674 674 ASP N N 674 120.414 120.414 122.249 -1.835 19515 836 1 6 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.724 -0.092 19515 837 1 6 . 1 1 674 674 ASP C C 674 176.749 176.749 176.636 0.113 19515 838 1 6 . 1 1 674 674 ASP CA C 674 53.569 53.569 54.087 -0.518 19515 839 1 6 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.956 -0.301 19515 840 1 6 . 1 1 674 674 ASP H H 674 7.725 7.725 7.463 0.262 19515 841 1 6 . 1 1 675 675 ILE N N 675 120.320 120.320 126.010 -5.690 19515 842 1 6 . 1 1 675 675 ILE HA H 675 3.791 3.791 3.923 -0.132 19515 843 1 6 . 1 1 675 675 ILE C C 675 176.683 176.683 177.971 -1.288 19515 844 1 6 . 1 1 675 675 ILE CA C 675 63.208 63.208 60.337 2.871 19515 845 1 6 . 1 1 675 675 ILE CB C 675 38.336 38.336 37.287 1.049 19515 846 1 6 . 1 1 675 675 ILE H H 675 8.196 8.196 8.331 -0.135 19515 847 1 6 . 1 1 676 676 THR N N 676 111.977 111.977 116.924 -4.947 19515 848 1 6 . 1 1 676 676 THR HA H 676 3.903 3.903 4.078 -0.175 19515 849 1 6 . 1 1 676 676 THR C C 676 176.347 176.347 176.229 0.118 19515 850 1 6 . 1 1 676 676 THR CA C 676 65.643 65.643 67.084 -1.441 19515 851 1 6 . 1 1 676 676 THR CB C 676 68.453 68.453 68.982 -0.529 19515 852 1 6 . 1 1 676 676 THR H H 676 8.114 8.114 8.369 -0.255 19515 853 1 6 . 1 1 677 677 LYS N N 677 119.101 119.101 120.004 -0.903 19515 854 1 6 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.193 -0.178 19515 855 1 6 . 1 1 677 677 LYS C C 677 177.394 177.394 178.744 -1.350 19515 856 1 6 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.323 -1.180 19515 857 1 6 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.319 -0.194 19515 858 1 6 . 1 1 677 677 LYS H H 677 7.512 7.512 8.178 -0.666 19515 859 1 6 . 1 1 678 678 TRP N N 678 116.945 116.945 119.609 -2.664 19515 860 1 6 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.607 0.078 19515 861 1 6 . 1 1 678 678 TRP C C 678 176.964 176.964 178.972 -2.008 19515 862 1 6 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.401 -2.143 19515 863 1 6 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.141 -0.322 19515 864 1 6 . 1 1 678 678 TRP H H 678 7.525 7.525 8.409 -0.884 19515 865 1 6 . 1 1 679 679 LEU N N 679 116.664 116.664 119.928 -3.264 19515 866 1 6 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.191 -0.109 19515 867 1 6 . 1 1 679 679 LEU C C 679 177.458 177.458 178.967 -1.509 19515 868 1 6 . 1 1 679 679 LEU CA C 679 56.839 56.839 57.809 -0.970 19515 869 1 6 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.309 0.603 19515 870 1 6 . 1 1 679 679 LEU H H 679 7.786 7.786 8.572 -0.786 19515 871 1 6 . 1 1 680 680 TRP N N 680 116.195 116.195 120.947 -4.752 19515 872 1 6 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.337 0.020 19515 873 1 6 . 1 1 680 680 TRP C C 680 176.394 176.394 177.706 -1.312 19515 874 1 6 . 1 1 680 680 TRP CA C 680 58.948 58.948 61.053 -2.105 19515 875 1 6 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.762 -0.627 19515 876 1 6 . 1 1 680 680 TRP H H 680 7.547 7.547 9.099 -1.552 19515 877 1 6 . 1 1 681 681 TYR N N 681 115.352 115.352 118.122 -2.770 19515 878 1 6 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.419 -0.269 19515 879 1 6 . 1 1 681 681 TYR C C 681 175.671 175.671 176.781 -1.110 19515 880 1 6 . 1 1 681 681 TYR CA C 681 59.780 59.780 60.899 -1.119 19515 881 1 6 . 1 1 681 681 TYR CB C 681 39.011 39.011 39.025 -0.014 19515 882 1 6 . 1 1 681 681 TYR H H 681 7.471 7.471 7.941 -0.470 19515 883 1 6 . 1 1 682 682 ILE N N 682 113.570 113.570 116.494 -2.924 19515 884 1 6 . 1 1 682 682 ILE HA H 682 4.211 4.211 4.294 -0.083 19515 885 1 6 . 1 1 682 682 ILE C C 682 174.166 174.166 176.767 -2.601 19515 886 1 6 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.480 -0.316 19515 887 1 6 . 1 1 682 682 ILE CB C 682 38.869 38.869 38.289 0.580 19515 888 1 6 . 1 1 682 682 ILE H H 682 7.471 7.471 7.605 -0.134 19515 889 1 7 . 1 1 658 658 LYS HA H 658 4.292 4.292 4.583 -0.291 19515 890 1 7 . 1 1 658 658 LYS C C 658 175.668 175.668 174.286 1.382 19515 891 1 7 . 1 1 658 658 LYS CA C 658 56.747 56.747 55.804 0.943 19515 892 1 7 . 1 1 658 658 LYS CB C 658 32.868 32.868 33.996 -1.128 19515 893 1 7 . 1 1 659 659 ASP N N 659 120.320 120.320 123.352 -3.032 19515 894 1 7 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.871 -0.288 19515 895 1 7 . 1 1 659 659 ASP C C 659 176.214 176.214 177.098 -0.884 19515 896 1 7 . 1 1 659 659 ASP CA C 659 54.342 54.342 53.540 0.802 19515 897 1 7 . 1 1 659 659 ASP CB C 659 41.140 41.140 42.408 -1.268 19515 898 1 7 . 1 1 659 659 ASP H H 659 8.360 8.360 8.600 -0.240 19515 899 1 7 . 1 1 660 660 LEU N N 660 121.445 121.445 122.250 -0.805 19515 900 1 7 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.325 -0.104 19515 901 1 7 . 1 1 660 660 LEU C C 660 177.071 177.071 177.151 -0.080 19515 902 1 7 . 1 1 660 660 LEU CA C 660 56.317 56.317 56.889 -0.572 19515 903 1 7 . 1 1 660 660 LEU CB C 660 42.498 42.498 41.966 0.532 19515 904 1 7 . 1 1 660 660 LEU H H 660 8.388 8.388 8.774 -0.386 19515 905 1 7 . 1 1 661 661 LEU N N 661 118.164 118.164 118.647 -0.483 19515 906 1 7 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.725 -0.404 19515 907 1 7 . 1 1 661 661 LEU C C 661 176.473 176.473 176.460 0.013 19515 908 1 7 . 1 1 661 661 LEU CA C 661 54.791 54.791 54.008 0.783 19515 909 1 7 . 1 1 661 661 LEU CB C 661 42.060 42.060 41.866 0.194 19515 910 1 7 . 1 1 661 661 LEU H H 661 8.114 8.114 8.037 0.077 19515 911 1 7 . 1 1 662 662 ALA N N 662 122.289 122.289 123.265 -0.976 19515 912 1 7 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.293 0.043 19515 913 1 7 . 1 1 662 662 ALA C C 662 177.849 177.849 178.806 -0.957 19515 914 1 7 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.710 -0.194 19515 915 1 7 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.808 1.405 19515 916 1 7 . 1 1 662 662 ALA H H 662 7.936 7.936 7.516 0.420 19515 917 1 7 . 1 1 663 663 LEU N N 663 119.570 119.570 126.692 -7.122 19515 918 1 7 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.135 0.065 19515 919 1 7 . 1 1 663 663 LEU C C 663 177.653 177.653 178.473 -0.820 19515 920 1 7 . 1 1 663 663 LEU CA C 663 56.516 56.516 57.973 -1.457 19515 921 1 7 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.847 0.185 19515 922 1 7 . 1 1 663 663 LEU H H 663 8.210 8.210 8.435 -0.225 19515 923 1 7 . 1 1 664 664 ASP N N 664 117.320 117.320 118.031 -0.711 19515 924 1 7 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.490 0.015 19515 925 1 7 . 1 1 664 664 ASP C C 664 177.568 177.568 177.722 -0.154 19515 926 1 7 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.526 -0.847 19515 927 1 7 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.730 -0.262 19515 928 1 7 . 1 1 664 664 ASP H H 664 8.360 8.360 8.625 -0.265 19515 929 1 7 . 1 1 665 665 LYS N N 665 118.403 118.403 118.212 0.191 19515 930 1 7 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.430 -0.242 19515 931 1 7 . 1 1 665 665 LYS C C 665 177.428 177.428 178.396 -0.968 19515 932 1 7 . 1 1 665 665 LYS CA C 665 57.552 57.552 57.626 -0.074 19515 933 1 7 . 1 1 665 665 LYS CB C 665 32.253 32.253 32.955 -0.702 19515 934 1 7 . 1 1 665 665 LYS H H 665 7.957 7.957 8.227 -0.270 19515 935 1 7 . 1 1 666 666 TRP N N 666 119.008 119.008 120.751 -1.743 19515 936 1 7 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.383 0.135 19515 937 1 7 . 1 1 666 666 TRP C C 666 176.614 176.614 178.316 -1.702 19515 938 1 7 . 1 1 666 666 TRP CA C 666 58.613 58.613 60.545 -1.932 19515 939 1 7 . 1 1 666 666 TRP CB C 666 29.388 29.388 29.261 0.127 19515 940 1 7 . 1 1 666 666 TRP H H 666 8.018 8.018 7.483 0.535 19515 941 1 7 . 1 1 667 667 ASN N N 667 115.789 115.789 118.282 -2.493 19515 942 1 7 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.553 -0.148 19515 943 1 7 . 1 1 667 667 ASN C C 667 177.139 177.139 177.569 -0.430 19515 944 1 7 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.673 -1.035 19515 945 1 7 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.402 0.157 19515 946 1 7 . 1 1 667 667 ASN H H 667 8.177 8.177 8.116 0.061 19515 947 1 7 . 1 1 668 668 SER N N 668 114.122 114.122 114.553 -0.431 19515 948 1 7 . 1 1 668 668 SER HA H 668 4.339 4.339 4.459 -0.120 19515 949 1 7 . 1 1 668 668 SER C C 668 175.509 175.509 176.060 -0.551 19515 950 1 7 . 1 1 668 668 SER CA C 668 60.480 60.480 60.858 -0.378 19515 951 1 7 . 1 1 668 668 SER CB C 668 63.178 63.178 63.411 -0.233 19515 952 1 7 . 1 1 668 668 SER H H 668 8.113 8.113 7.605 0.508 19515 953 1 7 . 1 1 669 669 LEU N N 669 121.445 121.445 120.778 0.667 19515 954 1 7 . 1 1 669 669 LEU HA H 669 3.979 3.979 3.842 0.137 19515 955 1 7 . 1 1 669 669 LEU C C 669 177.357 177.357 177.630 -0.273 19515 956 1 7 . 1 1 669 669 LEU CA C 669 57.507 57.507 57.361 0.146 19515 957 1 7 . 1 1 669 669 LEU CB C 669 41.986 41.986 42.031 -0.045 19515 958 1 7 . 1 1 669 669 LEU H H 669 7.813 7.813 7.989 -0.176 19515 959 1 7 . 1 1 670 670 TRP N N 670 115.164 115.164 118.482 -3.318 19515 960 1 7 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.440 0.201 19515 961 1 7 . 1 1 670 670 TRP C C 670 177.139 177.139 177.465 -0.326 19515 962 1 7 . 1 1 670 670 TRP CA C 670 58.242 58.242 58.997 -0.755 19515 963 1 7 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.789 -0.258 19515 964 1 7 . 1 1 670 670 TRP H H 670 7.554 7.554 7.837 -0.283 19515 965 1 7 . 1 1 671 671 SER N N 671 111.992 111.992 114.450 -2.458 19515 966 1 7 . 1 1 671 671 SER HA H 671 4.396 4.396 4.509 -0.113 19515 967 1 7 . 1 1 671 671 SER C C 671 175.159 175.159 175.539 -0.380 19515 968 1 7 . 1 1 671 671 SER CA C 671 60.034 60.034 61.255 -1.222 19515 969 1 7 . 1 1 671 671 SER CB C 671 63.623 63.623 63.822 -0.199 19515 970 1 7 . 1 1 671 671 SER H H 671 7.988 7.988 7.803 0.185 19515 971 1 7 . 1 1 672 672 TRP N N 672 120.173 120.173 118.104 2.069 19515 972 1 7 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.899 -0.374 19515 973 1 7 . 1 1 672 672 TRP C C 672 176.153 176.153 176.362 -0.209 19515 974 1 7 . 1 1 672 672 TRP CA C 672 58.637 58.637 56.504 2.133 19515 975 1 7 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.606 0.057 19515 976 1 7 . 1 1 672 672 TRP H H 672 7.872 7.872 6.918 0.954 19515 977 1 7 . 1 1 673 673 PHE N N 673 117.414 117.414 121.087 -3.673 19515 978 1 7 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.505 -0.127 19515 979 1 7 . 1 1 673 673 PHE C C 673 174.357 174.357 174.475 -0.118 19515 980 1 7 . 1 1 673 673 PHE CA C 673 58.139 58.139 56.698 1.441 19515 981 1 7 . 1 1 673 673 PHE CB C 673 39.384 39.384 38.925 0.459 19515 982 1 7 . 1 1 673 673 PHE H H 673 7.783 7.783 7.114 0.669 19515 983 1 7 . 1 1 674 674 ASP N N 674 120.414 120.414 119.588 0.826 19515 984 1 7 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.893 -0.261 19515 985 1 7 . 1 1 674 674 ASP C C 674 176.749 176.749 176.243 0.506 19515 986 1 7 . 1 1 674 674 ASP CA C 674 53.569 53.569 53.589 -0.020 19515 987 1 7 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.808 -0.153 19515 988 1 7 . 1 1 674 674 ASP H H 674 7.725 7.725 7.506 0.219 19515 989 1 7 . 1 1 675 675 ILE N N 675 120.320 120.320 124.009 -3.689 19515 990 1 7 . 1 1 675 675 ILE HA H 675 3.791 3.791 3.903 -0.112 19515 991 1 7 . 1 1 675 675 ILE C C 675 176.683 176.683 177.557 -0.874 19515 992 1 7 . 1 1 675 675 ILE CA C 675 63.208 63.208 61.184 2.024 19515 993 1 7 . 1 1 675 675 ILE CB C 675 38.336 38.336 37.178 1.158 19515 994 1 7 . 1 1 675 675 ILE H H 675 8.196 8.196 8.421 -0.225 19515 995 1 7 . 1 1 676 676 THR N N 676 111.977 111.977 114.236 -2.259 19515 996 1 7 . 1 1 676 676 THR HA H 676 3.903 3.903 4.044 -0.141 19515 997 1 7 . 1 1 676 676 THR C C 676 176.347 176.347 176.710 -0.363 19515 998 1 7 . 1 1 676 676 THR CA C 676 65.643 65.643 66.144 -0.501 19515 999 1 7 . 1 1 676 676 THR CB C 676 68.453 68.453 68.228 0.225 19515 1000 1 7 . 1 1 676 676 THR H H 676 8.114 8.114 8.410 -0.296 19515 1001 1 7 . 1 1 677 677 LYS N N 677 119.101 119.101 120.936 -1.835 19515 1002 1 7 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.154 -0.139 19515 1003 1 7 . 1 1 677 677 LYS C C 677 177.394 177.394 178.667 -1.273 19515 1004 1 7 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.287 -1.144 19515 1005 1 7 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.100 0.025 19515 1006 1 7 . 1 1 677 677 LYS H H 677 7.512 7.512 7.950 -0.438 19515 1007 1 7 . 1 1 678 678 TRP N N 678 116.945 116.945 119.959 -3.014 19515 1008 1 7 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.635 0.050 19515 1009 1 7 . 1 1 678 678 TRP C C 678 176.964 176.964 178.496 -1.532 19515 1010 1 7 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.638 -2.380 19515 1011 1 7 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.144 -0.325 19515 1012 1 7 . 1 1 678 678 TRP H H 678 7.525 7.525 8.400 -0.875 19515 1013 1 7 . 1 1 679 679 LEU N N 679 116.664 116.664 119.082 -2.418 19515 1014 1 7 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.183 -0.101 19515 1015 1 7 . 1 1 679 679 LEU C C 679 177.458 177.458 179.132 -1.674 19515 1016 1 7 . 1 1 679 679 LEU CA C 679 56.839 56.839 58.081 -1.242 19515 1017 1 7 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.407 0.505 19515 1018 1 7 . 1 1 679 679 LEU H H 679 7.786 7.786 8.518 -0.732 19515 1019 1 7 . 1 1 680 680 TRP N N 680 116.195 116.195 121.894 -5.699 19515 1020 1 7 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.322 0.035 19515 1021 1 7 . 1 1 680 680 TRP C C 680 176.394 176.394 177.415 -1.021 19515 1022 1 7 . 1 1 680 680 TRP CA C 680 58.948 58.948 61.397 -2.449 19515 1023 1 7 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.677 -0.542 19515 1024 1 7 . 1 1 680 680 TRP H H 680 7.547 7.547 8.725 -1.178 19515 1025 1 7 . 1 1 681 681 TYR N N 681 115.352 115.352 119.796 -4.444 19515 1026 1 7 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.506 -0.356 19515 1027 1 7 . 1 1 681 681 TYR C C 681 175.671 175.671 176.699 -1.028 19515 1028 1 7 . 1 1 681 681 TYR CA C 681 59.780 59.780 60.104 -0.324 19515 1029 1 7 . 1 1 681 681 TYR CB C 681 39.011 39.011 39.001 0.010 19515 1030 1 7 . 1 1 681 681 TYR H H 681 7.471 7.471 7.810 -0.339 19515 1031 1 7 . 1 1 682 682 ILE N N 682 113.570 113.570 115.334 -1.764 19515 1032 1 7 . 1 1 682 682 ILE HA H 682 4.211 4.211 3.822 0.389 19515 1033 1 7 . 1 1 682 682 ILE C C 682 174.166 174.166 176.604 -2.438 19515 1034 1 7 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.905 -0.741 19515 1035 1 7 . 1 1 682 682 ILE CB C 682 38.869 38.869 38.701 0.168 19515 1036 1 7 . 1 1 682 682 ILE H H 682 7.471 7.471 7.480 -0.009 19515 1037 1 8 . 1 1 658 658 LYS HA H 658 4.292 4.292 4.099 0.193 19515 1038 1 8 . 1 1 658 658 LYS C C 658 175.668 175.668 174.483 1.185 19515 1039 1 8 . 1 1 658 658 LYS CA C 658 56.747 56.747 56.561 0.186 19515 1040 1 8 . 1 1 658 658 LYS CB C 658 32.868 32.868 32.198 0.670 19515 1041 1 8 . 1 1 659 659 ASP N N 659 120.320 120.320 120.117 0.203 19515 1042 1 8 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.814 -0.231 19515 1043 1 8 . 1 1 659 659 ASP C C 659 176.214 176.214 177.273 -1.059 19515 1044 1 8 . 1 1 659 659 ASP CA C 659 54.342 54.342 53.590 0.752 19515 1045 1 8 . 1 1 659 659 ASP CB C 659 41.140 41.140 41.946 -0.806 19515 1046 1 8 . 1 1 659 659 ASP H H 659 8.360 8.360 8.348 0.012 19515 1047 1 8 . 1 1 660 660 LEU N N 660 121.445 121.445 124.067 -2.622 19515 1048 1 8 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.272 -0.051 19515 1049 1 8 . 1 1 660 660 LEU C C 660 177.071 177.071 178.081 -1.010 19515 1050 1 8 . 1 1 660 660 LEU CA C 660 56.317 56.317 56.512 -0.195 19515 1051 1 8 . 1 1 660 660 LEU CB C 660 42.498 42.498 42.340 0.158 19515 1052 1 8 . 1 1 660 660 LEU H H 660 8.388 8.388 9.013 -0.625 19515 1053 1 8 . 1 1 661 661 LEU N N 661 118.164 118.164 118.772 -0.608 19515 1054 1 8 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.624 -0.303 19515 1055 1 8 . 1 1 661 661 LEU C C 661 176.473 176.473 176.256 0.217 19515 1056 1 8 . 1 1 661 661 LEU CA C 661 54.791 54.791 53.993 0.798 19515 1057 1 8 . 1 1 661 661 LEU CB C 661 42.060 42.060 42.031 0.029 19515 1058 1 8 . 1 1 661 661 LEU H H 661 8.114 8.114 8.043 0.071 19515 1059 1 8 . 1 1 662 662 ALA N N 662 122.289 122.289 123.230 -0.941 19515 1060 1 8 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.295 0.041 19515 1061 1 8 . 1 1 662 662 ALA C C 662 177.849 177.849 178.814 -0.965 19515 1062 1 8 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.716 -0.200 19515 1063 1 8 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.877 1.336 19515 1064 1 8 . 1 1 662 662 ALA H H 662 7.936 7.936 7.504 0.432 19515 1065 1 8 . 1 1 663 663 LEU N N 663 119.570 119.570 126.586 -7.016 19515 1066 1 8 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.129 0.071 19515 1067 1 8 . 1 1 663 663 LEU C C 663 177.653 177.653 178.620 -0.967 19515 1068 1 8 . 1 1 663 663 LEU CA C 663 56.516 56.516 58.284 -1.768 19515 1069 1 8 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.952 0.080 19515 1070 1 8 . 1 1 663 663 LEU H H 663 8.210 8.210 8.386 -0.176 19515 1071 1 8 . 1 1 664 664 ASP N N 664 117.320 117.320 118.251 -0.931 19515 1072 1 8 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.516 -0.011 19515 1073 1 8 . 1 1 664 664 ASP C C 664 177.568 177.568 177.729 -0.161 19515 1074 1 8 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.743 -1.064 19515 1075 1 8 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.641 -0.173 19515 1076 1 8 . 1 1 664 664 ASP H H 664 8.360 8.360 8.561 -0.201 19515 1077 1 8 . 1 1 665 665 LYS N N 665 118.403 118.403 116.824 1.579 19515 1078 1 8 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.468 -0.280 19515 1079 1 8 . 1 1 665 665 LYS C C 665 177.428 177.428 178.675 -1.247 19515 1080 1 8 . 1 1 665 665 LYS CA C 665 57.552 57.552 56.453 1.099 19515 1081 1 8 . 1 1 665 665 LYS CB C 665 32.253 32.253 33.019 -0.766 19515 1082 1 8 . 1 1 665 665 LYS H H 665 7.957 7.957 8.388 -0.431 19515 1083 1 8 . 1 1 666 666 TRP N N 666 119.008 119.008 121.668 -2.660 19515 1084 1 8 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.429 0.089 19515 1085 1 8 . 1 1 666 666 TRP C C 666 176.614 176.614 177.797 -1.183 19515 1086 1 8 . 1 1 666 666 TRP CA C 666 58.613 58.613 60.380 -1.767 19515 1087 1 8 . 1 1 666 666 TRP CB C 666 29.388 29.388 29.288 0.100 19515 1088 1 8 . 1 1 666 666 TRP H H 666 8.018 8.018 7.446 0.572 19515 1089 1 8 . 1 1 667 667 ASN N N 667 115.789 115.789 117.948 -2.159 19515 1090 1 8 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.552 -0.147 19515 1091 1 8 . 1 1 667 667 ASN C C 667 177.139 177.139 177.458 -0.319 19515 1092 1 8 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.430 -0.792 19515 1093 1 8 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.282 0.277 19515 1094 1 8 . 1 1 667 667 ASN H H 667 8.177 8.177 8.090 0.087 19515 1095 1 8 . 1 1 668 668 SER N N 668 114.122 114.122 114.887 -0.765 19515 1096 1 8 . 1 1 668 668 SER HA H 668 4.339 4.339 4.458 -0.119 19515 1097 1 8 . 1 1 668 668 SER C C 668 175.509 175.509 176.211 -0.702 19515 1098 1 8 . 1 1 668 668 SER CA C 668 60.480 60.480 60.848 -0.368 19515 1099 1 8 . 1 1 668 668 SER CB C 668 63.178 63.178 63.435 -0.257 19515 1100 1 8 . 1 1 668 668 SER H H 668 8.113 8.113 7.593 0.520 19515 1101 1 8 . 1 1 669 669 LEU N N 669 121.445 121.445 120.740 0.705 19515 1102 1 8 . 1 1 669 669 LEU HA H 669 3.979 3.979 3.853 0.126 19515 1103 1 8 . 1 1 669 669 LEU C C 669 177.357 177.357 177.643 -0.286 19515 1104 1 8 . 1 1 669 669 LEU CA C 669 57.507 57.507 57.426 0.081 19515 1105 1 8 . 1 1 669 669 LEU CB C 669 41.986 41.986 42.006 -0.020 19515 1106 1 8 . 1 1 669 669 LEU H H 669 7.813 7.813 7.878 -0.065 19515 1107 1 8 . 1 1 670 670 TRP N N 670 115.164 115.164 118.254 -3.090 19515 1108 1 8 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.445 0.196 19515 1109 1 8 . 1 1 670 670 TRP C C 670 177.139 177.139 177.627 -0.488 19515 1110 1 8 . 1 1 670 670 TRP CA C 670 58.242 58.242 59.040 -0.798 19515 1111 1 8 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.744 -0.213 19515 1112 1 8 . 1 1 670 670 TRP H H 670 7.554 7.554 7.868 -0.314 19515 1113 1 8 . 1 1 671 671 SER N N 671 111.992 111.992 114.968 -2.976 19515 1114 1 8 . 1 1 671 671 SER HA H 671 4.396 4.396 4.506 -0.110 19515 1115 1 8 . 1 1 671 671 SER C C 671 175.159 175.159 175.567 -0.408 19515 1116 1 8 . 1 1 671 671 SER CA C 671 60.034 60.034 61.034 -1.000 19515 1117 1 8 . 1 1 671 671 SER CB C 671 63.623 63.623 63.727 -0.104 19515 1118 1 8 . 1 1 671 671 SER H H 671 7.988 7.988 7.787 0.201 19515 1119 1 8 . 1 1 672 672 TRP N N 672 120.173 120.173 117.947 2.226 19515 1120 1 8 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.898 -0.373 19515 1121 1 8 . 1 1 672 672 TRP C C 672 176.153 176.153 176.320 -0.167 19515 1122 1 8 . 1 1 672 672 TRP CA C 672 58.637 58.637 56.582 2.055 19515 1123 1 8 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.574 0.089 19515 1124 1 8 . 1 1 672 672 TRP H H 672 7.872 7.872 6.889 0.983 19515 1125 1 8 . 1 1 673 673 PHE N N 673 117.414 117.414 121.099 -3.685 19515 1126 1 8 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.495 -0.117 19515 1127 1 8 . 1 1 673 673 PHE C C 673 174.357 174.357 174.477 -0.120 19515 1128 1 8 . 1 1 673 673 PHE CA C 673 58.139 58.139 56.691 1.448 19515 1129 1 8 . 1 1 673 673 PHE CB C 673 39.384 39.384 38.918 0.466 19515 1130 1 8 . 1 1 673 673 PHE H H 673 7.783 7.783 7.099 0.684 19515 1131 1 8 . 1 1 674 674 ASP N N 674 120.414 120.414 119.597 0.817 19515 1132 1 8 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.839 -0.207 19515 1133 1 8 . 1 1 674 674 ASP C C 674 176.749 176.749 176.238 0.511 19515 1134 1 8 . 1 1 674 674 ASP CA C 674 53.569 53.569 53.622 -0.053 19515 1135 1 8 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.909 -0.254 19515 1136 1 8 . 1 1 674 674 ASP H H 674 7.725 7.725 7.478 0.247 19515 1137 1 8 . 1 1 675 675 ILE N N 675 120.320 120.320 123.655 -3.335 19515 1138 1 8 . 1 1 675 675 ILE HA H 675 3.791 3.791 3.898 -0.107 19515 1139 1 8 . 1 1 675 675 ILE C C 675 176.683 176.683 177.549 -0.866 19515 1140 1 8 . 1 1 675 675 ILE CA C 675 63.208 63.208 60.929 2.279 19515 1141 1 8 . 1 1 675 675 ILE CB C 675 38.336 38.336 37.211 1.125 19515 1142 1 8 . 1 1 675 675 ILE H H 675 8.196 8.196 8.311 -0.115 19515 1143 1 8 . 1 1 676 676 THR N N 676 111.977 111.977 113.926 -1.949 19515 1144 1 8 . 1 1 676 676 THR HA H 676 3.903 3.903 4.036 -0.133 19515 1145 1 8 . 1 1 676 676 THR C C 676 176.347 176.347 176.496 -0.149 19515 1146 1 8 . 1 1 676 676 THR CA C 676 65.643 65.643 66.493 -0.850 19515 1147 1 8 . 1 1 676 676 THR CB C 676 68.453 68.453 68.319 0.134 19515 1148 1 8 . 1 1 676 676 THR H H 676 8.114 8.114 8.349 -0.235 19515 1149 1 8 . 1 1 677 677 LYS N N 677 119.101 119.101 120.747 -1.646 19515 1150 1 8 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.139 -0.124 19515 1151 1 8 . 1 1 677 677 LYS C C 677 177.394 177.394 178.346 -0.952 19515 1152 1 8 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.190 -1.046 19515 1153 1 8 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.215 -0.090 19515 1154 1 8 . 1 1 677 677 LYS H H 677 7.512 7.512 7.970 -0.458 19515 1155 1 8 . 1 1 678 678 TRP N N 678 116.945 116.945 119.578 -2.633 19515 1156 1 8 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.529 0.156 19515 1157 1 8 . 1 1 678 678 TRP C C 678 176.964 176.964 178.927 -1.963 19515 1158 1 8 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.344 -2.086 19515 1159 1 8 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.126 -0.307 19515 1160 1 8 . 1 1 678 678 TRP H H 678 7.525 7.525 8.400 -0.875 19515 1161 1 8 . 1 1 679 679 LEU N N 679 116.664 116.664 119.862 -3.198 19515 1162 1 8 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.187 -0.105 19515 1163 1 8 . 1 1 679 679 LEU C C 679 177.458 177.458 178.957 -1.499 19515 1164 1 8 . 1 1 679 679 LEU CA C 679 56.839 56.839 57.787 -0.948 19515 1165 1 8 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.300 0.612 19515 1166 1 8 . 1 1 679 679 LEU H H 679 7.786 7.786 8.489 -0.703 19515 1167 1 8 . 1 1 680 680 TRP N N 680 116.195 116.195 120.849 -4.654 19515 1168 1 8 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.550 -0.193 19515 1169 1 8 . 1 1 680 680 TRP C C 680 176.394 176.394 178.250 -1.856 19515 1170 1 8 . 1 1 680 680 TRP CA C 680 58.948 58.948 60.746 -1.798 19515 1171 1 8 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.655 -0.520 19515 1172 1 8 . 1 1 680 680 TRP H H 680 7.547 7.547 8.822 -1.275 19515 1173 1 8 . 1 1 681 681 TYR N N 681 115.352 115.352 118.155 -2.803 19515 1174 1 8 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.452 -0.302 19515 1175 1 8 . 1 1 681 681 TYR C C 681 175.671 175.671 176.765 -1.094 19515 1176 1 8 . 1 1 681 681 TYR CA C 681 59.780 59.780 61.017 -1.238 19515 1177 1 8 . 1 1 681 681 TYR CB C 681 39.011 39.011 38.843 0.168 19515 1178 1 8 . 1 1 681 681 TYR H H 681 7.471 7.471 7.970 -0.498 19515 1179 1 8 . 1 1 682 682 ILE N N 682 113.570 113.570 116.364 -2.794 19515 1180 1 8 . 1 1 682 682 ILE HA H 682 4.211 4.211 4.274 -0.063 19515 1181 1 8 . 1 1 682 682 ILE C C 682 174.166 174.166 176.838 -2.672 19515 1182 1 8 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.419 -0.255 19515 1183 1 8 . 1 1 682 682 ILE CB C 682 38.869 38.869 38.284 0.585 19515 1184 1 8 . 1 1 682 682 ILE H H 682 7.471 7.471 7.555 -0.084 19515 1185 1 9 . 1 1 658 658 LYS HA H 658 4.292 4.292 4.457 -0.165 19515 1186 1 9 . 1 1 658 658 LYS C C 658 175.668 175.668 175.163 0.505 19515 1187 1 9 . 1 1 658 658 LYS CA C 658 56.747 56.747 55.810 0.937 19515 1188 1 9 . 1 1 658 658 LYS CB C 658 32.868 32.868 32.457 0.411 19515 1189 1 9 . 1 1 659 659 ASP N N 659 120.320 120.320 119.857 0.463 19515 1190 1 9 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.669 -0.086 19515 1191 1 9 . 1 1 659 659 ASP C C 659 176.214 176.214 177.982 -1.768 19515 1192 1 9 . 1 1 659 659 ASP CA C 659 54.342 54.342 53.463 0.879 19515 1193 1 9 . 1 1 659 659 ASP CB C 659 41.140 41.140 42.161 -1.021 19515 1194 1 9 . 1 1 659 659 ASP H H 659 8.360 8.360 7.722 0.638 19515 1195 1 9 . 1 1 660 660 LEU N N 660 121.445 121.445 123.952 -2.507 19515 1196 1 9 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.176 0.045 19515 1197 1 9 . 1 1 660 660 LEU C C 660 177.071 177.071 177.718 -0.647 19515 1198 1 9 . 1 1 660 660 LEU CA C 660 56.317 56.317 57.263 -0.946 19515 1199 1 9 . 1 1 660 660 LEU CB C 660 42.498 42.498 42.325 0.173 19515 1200 1 9 . 1 1 660 660 LEU H H 660 8.388 8.388 8.667 -0.279 19515 1201 1 9 . 1 1 661 661 LEU N N 661 118.164 118.164 118.022 0.142 19515 1202 1 9 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.588 -0.267 19515 1203 1 9 . 1 1 661 661 LEU C C 661 176.473 176.473 176.238 0.235 19515 1204 1 9 . 1 1 661 661 LEU CA C 661 54.791 54.791 53.949 0.842 19515 1205 1 9 . 1 1 661 661 LEU CB C 661 42.060 42.060 42.033 0.027 19515 1206 1 9 . 1 1 661 661 LEU H H 661 8.114 8.114 8.119 -0.005 19515 1207 1 9 . 1 1 662 662 ALA N N 662 122.289 122.289 123.473 -1.184 19515 1208 1 9 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.243 0.093 19515 1209 1 9 . 1 1 662 662 ALA C C 662 177.849 177.849 178.300 -0.451 19515 1210 1 9 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.516 -0.000 19515 1211 1 9 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.638 1.575 19515 1212 1 9 . 1 1 662 662 ALA H H 662 7.936 7.936 8.003 -0.067 19515 1213 1 9 . 1 1 663 663 LEU N N 663 119.570 119.570 126.570 -7.000 19515 1214 1 9 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.062 0.138 19515 1215 1 9 . 1 1 663 663 LEU C C 663 177.653 177.653 178.282 -0.629 19515 1216 1 9 . 1 1 663 663 LEU CA C 663 56.516 56.516 57.676 -1.160 19515 1217 1 9 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.814 0.218 19515 1218 1 9 . 1 1 663 663 LEU H H 663 8.210 8.210 8.389 -0.179 19515 1219 1 9 . 1 1 664 664 ASP N N 664 117.320 117.320 118.620 -1.300 19515 1220 1 9 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.475 0.030 19515 1221 1 9 . 1 1 664 664 ASP C C 664 177.568 177.568 177.846 -0.278 19515 1222 1 9 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.772 -1.093 19515 1223 1 9 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.500 -0.032 19515 1224 1 9 . 1 1 664 664 ASP H H 664 8.360 8.360 8.525 -0.165 19515 1225 1 9 . 1 1 665 665 LYS N N 665 118.403 118.403 117.477 0.926 19515 1226 1 9 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.450 -0.262 19515 1227 1 9 . 1 1 665 665 LYS C C 665 177.428 177.428 178.679 -1.251 19515 1228 1 9 . 1 1 665 665 LYS CA C 665 57.552 57.552 56.711 0.841 19515 1229 1 9 . 1 1 665 665 LYS CB C 665 32.253 32.253 33.085 -0.832 19515 1230 1 9 . 1 1 665 665 LYS H H 665 7.957 7.957 8.332 -0.375 19515 1231 1 9 . 1 1 666 666 TRP N N 666 119.008 119.008 121.459 -2.451 19515 1232 1 9 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.515 0.003 19515 1233 1 9 . 1 1 666 666 TRP C C 666 176.614 176.614 177.819 -1.205 19515 1234 1 9 . 1 1 666 666 TRP CA C 666 58.613 58.613 60.499 -1.886 19515 1235 1 9 . 1 1 666 666 TRP CB C 666 29.388 29.388 29.349 0.038 19515 1236 1 9 . 1 1 666 666 TRP H H 666 8.018 8.018 7.410 0.608 19515 1237 1 9 . 1 1 667 667 ASN N N 667 115.789 115.789 117.976 -2.187 19515 1238 1 9 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.550 -0.145 19515 1239 1 9 . 1 1 667 667 ASN C C 667 177.139 177.139 177.663 -0.524 19515 1240 1 9 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.840 -1.202 19515 1241 1 9 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.524 0.035 19515 1242 1 9 . 1 1 667 667 ASN H H 667 8.177 8.177 8.167 0.010 19515 1243 1 9 . 1 1 668 668 SER N N 668 114.122 114.122 115.001 -0.879 19515 1244 1 9 . 1 1 668 668 SER HA H 668 4.339 4.339 4.386 -0.047 19515 1245 1 9 . 1 1 668 668 SER C C 668 175.509 175.509 176.000 -0.491 19515 1246 1 9 . 1 1 668 668 SER CA C 668 60.480 60.480 61.185 -0.705 19515 1247 1 9 . 1 1 668 668 SER CB C 668 63.178 63.178 63.355 -0.177 19515 1248 1 9 . 1 1 668 668 SER H H 668 8.113 8.113 7.737 0.376 19515 1249 1 9 . 1 1 669 669 LEU N N 669 121.445 121.445 120.771 0.674 19515 1250 1 9 . 1 1 669 669 LEU HA H 669 3.979 3.979 4.021 -0.042 19515 1251 1 9 . 1 1 669 669 LEU C C 669 177.357 177.357 177.759 -0.402 19515 1252 1 9 . 1 1 669 669 LEU CA C 669 57.507 57.507 56.879 0.628 19515 1253 1 9 . 1 1 669 669 LEU CB C 669 41.986 41.986 42.401 -0.416 19515 1254 1 9 . 1 1 669 669 LEU H H 669 7.813 7.813 7.775 0.038 19515 1255 1 9 . 1 1 670 670 TRP N N 670 115.164 115.164 119.931 -4.767 19515 1256 1 9 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.399 0.242 19515 1257 1 9 . 1 1 670 670 TRP C C 670 177.139 177.139 176.463 0.676 19515 1258 1 9 . 1 1 670 670 TRP CA C 670 58.242 58.242 59.057 -0.815 19515 1259 1 9 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.732 -0.201 19515 1260 1 9 . 1 1 670 670 TRP H H 670 7.554 7.554 8.739 -1.185 19515 1261 1 9 . 1 1 671 671 SER N N 671 111.992 111.992 115.621 -3.629 19515 1262 1 9 . 1 1 671 671 SER HA H 671 4.396 4.396 3.973 0.423 19515 1263 1 9 . 1 1 671 671 SER C C 671 175.159 175.159 175.473 -0.314 19515 1264 1 9 . 1 1 671 671 SER CA C 671 60.034 60.034 60.139 -0.104 19515 1265 1 9 . 1 1 671 671 SER CB C 671 63.623 63.623 63.525 0.098 19515 1266 1 9 . 1 1 671 671 SER H H 671 7.988 7.988 7.542 0.446 19515 1267 1 9 . 1 1 672 672 TRP N N 672 120.173 120.173 118.633 1.540 19515 1268 1 9 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.808 -0.283 19515 1269 1 9 . 1 1 672 672 TRP C C 672 176.153 176.153 176.346 -0.193 19515 1270 1 9 . 1 1 672 672 TRP CA C 672 58.637 58.637 55.967 2.671 19515 1271 1 9 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.840 -0.177 19515 1272 1 9 . 1 1 672 672 TRP H H 672 7.872 7.872 6.835 1.037 19515 1273 1 9 . 1 1 673 673 PHE N N 673 117.414 117.414 121.227 -3.813 19515 1274 1 9 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.515 -0.137 19515 1275 1 9 . 1 1 673 673 PHE C C 673 174.357 174.357 174.524 -0.167 19515 1276 1 9 . 1 1 673 673 PHE CA C 673 58.139 58.139 57.220 0.919 19515 1277 1 9 . 1 1 673 673 PHE CB C 673 39.384 39.384 38.905 0.479 19515 1278 1 9 . 1 1 673 673 PHE H H 673 7.783 7.783 7.093 0.690 19515 1279 1 9 . 1 1 674 674 ASP N N 674 120.414 120.414 121.152 -0.738 19515 1280 1 9 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.626 0.006 19515 1281 1 9 . 1 1 674 674 ASP C C 674 176.749 176.749 176.632 0.117 19515 1282 1 9 . 1 1 674 674 ASP CA C 674 53.569 53.569 53.394 0.175 19515 1283 1 9 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.100 0.555 19515 1284 1 9 . 1 1 674 674 ASP H H 674 7.725 7.725 7.388 0.337 19515 1285 1 9 . 1 1 675 675 ILE N N 675 120.320 120.320 126.574 -6.254 19515 1286 1 9 . 1 1 675 675 ILE HA H 675 3.791 3.791 3.892 -0.101 19515 1287 1 9 . 1 1 675 675 ILE C C 675 176.683 176.683 177.246 -0.563 19515 1288 1 9 . 1 1 675 675 ILE CA C 675 63.208 63.208 61.219 1.989 19515 1289 1 9 . 1 1 675 675 ILE CB C 675 38.336 38.336 38.041 0.295 19515 1290 1 9 . 1 1 675 675 ILE H H 675 8.196 8.196 8.026 0.170 19515 1291 1 9 . 1 1 676 676 THR N N 676 111.977 111.977 115.917 -3.940 19515 1292 1 9 . 1 1 676 676 THR HA H 676 3.903 3.903 4.042 -0.139 19515 1293 1 9 . 1 1 676 676 THR C C 676 176.347 176.347 176.447 -0.100 19515 1294 1 9 . 1 1 676 676 THR CA C 676 65.643 65.643 66.975 -1.331 19515 1295 1 9 . 1 1 676 676 THR CB C 676 68.453 68.453 68.870 -0.417 19515 1296 1 9 . 1 1 676 676 THR H H 676 8.114 8.114 8.407 -0.293 19515 1297 1 9 . 1 1 677 677 LYS N N 677 119.101 119.101 120.225 -1.124 19515 1298 1 9 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.144 -0.129 19515 1299 1 9 . 1 1 677 677 LYS C C 677 177.394 177.394 179.000 -1.606 19515 1300 1 9 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.386 -1.243 19515 1301 1 9 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.320 -0.195 19515 1302 1 9 . 1 1 677 677 LYS H H 677 7.512 7.512 8.014 -0.502 19515 1303 1 9 . 1 1 678 678 TRP N N 678 116.945 116.945 119.928 -2.983 19515 1304 1 9 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.652 0.033 19515 1305 1 9 . 1 1 678 678 TRP C C 678 176.964 176.964 178.440 -1.476 19515 1306 1 9 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.739 -2.481 19515 1307 1 9 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.297 -0.478 19515 1308 1 9 . 1 1 678 678 TRP H H 678 7.525 7.525 8.289 -0.764 19515 1309 1 9 . 1 1 679 679 LEU N N 679 116.664 116.664 118.828 -2.164 19515 1310 1 9 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.278 -0.196 19515 1311 1 9 . 1 1 679 679 LEU C C 679 177.458 177.458 179.053 -1.595 19515 1312 1 9 . 1 1 679 679 LEU CA C 679 56.839 56.839 57.549 -0.710 19515 1313 1 9 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.849 0.063 19515 1314 1 9 . 1 1 679 679 LEU H H 679 7.786 7.786 8.375 -0.589 19515 1315 1 9 . 1 1 680 680 TRP N N 680 116.195 116.195 121.687 -5.492 19515 1316 1 9 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.284 0.073 19515 1317 1 9 . 1 1 680 680 TRP C C 680 176.394 176.394 177.713 -1.319 19515 1318 1 9 . 1 1 680 680 TRP CA C 680 58.948 58.948 61.393 -2.445 19515 1319 1 9 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.775 -0.640 19515 1320 1 9 . 1 1 680 680 TRP H H 680 7.547 7.547 9.102 -1.555 19515 1321 1 9 . 1 1 681 681 TYR N N 681 115.352 115.352 117.504 -2.152 19515 1322 1 9 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.412 -0.262 19515 1323 1 9 . 1 1 681 681 TYR C C 681 175.671 175.671 176.814 -1.143 19515 1324 1 9 . 1 1 681 681 TYR CA C 681 59.780 59.780 61.071 -1.291 19515 1325 1 9 . 1 1 681 681 TYR CB C 681 39.011 39.011 38.748 0.263 19515 1326 1 9 . 1 1 681 681 TYR H H 681 7.471 7.471 7.954 -0.483 19515 1327 1 9 . 1 1 682 682 ILE N N 682 113.570 113.570 116.907 -3.337 19515 1328 1 9 . 1 1 682 682 ILE HA H 682 4.211 4.211 4.222 -0.011 19515 1329 1 9 . 1 1 682 682 ILE C C 682 174.166 174.166 176.782 -2.616 19515 1330 1 9 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.823 -0.659 19515 1331 1 9 . 1 1 682 682 ILE CB C 682 38.869 38.869 37.829 1.040 19515 1332 1 9 . 1 1 682 682 ILE H H 682 7.471 7.471 7.621 -0.150 19515 1333 1 10 . 1 1 658 658 LYS HA H 658 4.292 4.292 4.006 0.286 19515 1334 1 10 . 1 1 658 658 LYS C C 658 175.668 175.668 174.837 0.831 19515 1335 1 10 . 1 1 658 658 LYS CA C 658 56.747 56.747 56.686 0.061 19515 1336 1 10 . 1 1 658 658 LYS CB C 658 32.868 32.868 31.744 1.124 19515 1337 1 10 . 1 1 659 659 ASP N N 659 120.320 120.320 118.070 2.250 19515 1338 1 10 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.680 -0.097 19515 1339 1 10 . 1 1 659 659 ASP C C 659 176.214 176.214 177.957 -1.743 19515 1340 1 10 . 1 1 659 659 ASP CA C 659 54.342 54.342 53.208 1.134 19515 1341 1 10 . 1 1 659 659 ASP CB C 659 41.140 41.140 42.094 -0.954 19515 1342 1 10 . 1 1 659 659 ASP H H 659 8.360 8.360 8.025 0.334 19515 1343 1 10 . 1 1 660 660 LEU N N 660 121.445 121.445 123.944 -2.499 19515 1344 1 10 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.077 0.144 19515 1345 1 10 . 1 1 660 660 LEU C C 660 177.071 177.071 177.974 -0.903 19515 1346 1 10 . 1 1 660 660 LEU CA C 660 56.317 56.317 57.000 -0.683 19515 1347 1 10 . 1 1 660 660 LEU CB C 660 42.498 42.498 42.294 0.204 19515 1348 1 10 . 1 1 660 660 LEU H H 660 8.388 8.388 8.855 -0.467 19515 1349 1 10 . 1 1 661 661 LEU N N 661 118.164 118.164 117.615 0.549 19515 1350 1 10 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.697 -0.376 19515 1351 1 10 . 1 1 661 661 LEU C C 661 176.473 176.473 176.184 0.289 19515 1352 1 10 . 1 1 661 661 LEU CA C 661 54.791 54.791 53.911 0.880 19515 1353 1 10 . 1 1 661 661 LEU CB C 661 42.060 42.060 42.489 -0.428 19515 1354 1 10 . 1 1 661 661 LEU H H 661 8.114 8.114 8.088 0.026 19515 1355 1 10 . 1 1 662 662 ALA N N 662 122.289 122.289 123.355 -1.066 19515 1356 1 10 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.272 0.064 19515 1357 1 10 . 1 1 662 662 ALA C C 662 177.849 177.849 178.422 -0.573 19515 1358 1 10 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.455 0.061 19515 1359 1 10 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.651 1.562 19515 1360 1 10 . 1 1 662 662 ALA H H 662 7.936 7.936 7.833 0.103 19515 1361 1 10 . 1 1 663 663 LEU N N 663 119.570 119.570 126.071 -6.501 19515 1362 1 10 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.127 0.073 19515 1363 1 10 . 1 1 663 663 LEU C C 663 177.653 177.653 178.203 -0.550 19515 1364 1 10 . 1 1 663 663 LEU CA C 663 56.516 56.516 57.665 -1.149 19515 1365 1 10 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.862 0.170 19515 1366 1 10 . 1 1 663 663 LEU H H 663 8.210 8.210 8.199 0.011 19515 1367 1 10 . 1 1 664 664 ASP N N 664 117.320 117.320 117.860 -0.540 19515 1368 1 10 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.503 0.002 19515 1369 1 10 . 1 1 664 664 ASP C C 664 177.568 177.568 177.267 0.301 19515 1370 1 10 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.700 -1.022 19515 1371 1 10 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.581 -0.113 19515 1372 1 10 . 1 1 664 664 ASP H H 664 8.360 8.360 8.377 -0.017 19515 1373 1 10 . 1 1 665 665 LYS N N 665 118.403 118.403 119.272 -0.869 19515 1374 1 10 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.412 -0.224 19515 1375 1 10 . 1 1 665 665 LYS C C 665 177.428 177.428 178.323 -0.895 19515 1376 1 10 . 1 1 665 665 LYS CA C 665 57.552 57.552 56.890 0.662 19515 1377 1 10 . 1 1 665 665 LYS CB C 665 32.253 32.253 32.733 -0.480 19515 1378 1 10 . 1 1 665 665 LYS H H 665 7.957 7.957 8.330 -0.373 19515 1379 1 10 . 1 1 666 666 TRP N N 666 119.008 119.008 121.859 -2.851 19515 1380 1 10 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.354 0.164 19515 1381 1 10 . 1 1 666 666 TRP C C 666 176.614 176.614 177.555 -0.941 19515 1382 1 10 . 1 1 666 666 TRP CA C 666 58.613 58.613 61.005 -2.393 19515 1383 1 10 . 1 1 666 666 TRP CB C 666 29.388 29.388 29.309 0.079 19515 1384 1 10 . 1 1 666 666 TRP H H 666 8.018 8.018 7.885 0.133 19515 1385 1 10 . 1 1 667 667 ASN N N 667 115.789 115.789 118.177 -2.388 19515 1386 1 10 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.587 -0.182 19515 1387 1 10 . 1 1 667 667 ASN C C 667 177.139 177.139 177.301 -0.162 19515 1388 1 10 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.672 -1.034 19515 1389 1 10 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.446 0.113 19515 1390 1 10 . 1 1 667 667 ASN H H 667 8.177 8.177 8.168 0.009 19515 1391 1 10 . 1 1 668 668 SER N N 668 114.122 114.122 115.064 -0.942 19515 1392 1 10 . 1 1 668 668 SER HA H 668 4.339 4.339 4.432 -0.093 19515 1393 1 10 . 1 1 668 668 SER C C 668 175.509 175.509 175.893 -0.384 19515 1394 1 10 . 1 1 668 668 SER CA C 668 60.480 60.480 61.251 -0.771 19515 1395 1 10 . 1 1 668 668 SER CB C 668 63.178 63.178 63.487 -0.309 19515 1396 1 10 . 1 1 668 668 SER H H 668 8.113 8.113 7.647 0.466 19515 1397 1 10 . 1 1 669 669 LEU N N 669 121.445 121.445 120.760 0.685 19515 1398 1 10 . 1 1 669 669 LEU HA H 669 3.979 3.979 3.785 0.194 19515 1399 1 10 . 1 1 669 669 LEU C C 669 177.357 177.357 177.470 -0.113 19515 1400 1 10 . 1 1 669 669 LEU CA C 669 57.507 57.507 57.100 0.407 19515 1401 1 10 . 1 1 669 669 LEU CB C 669 41.986 41.986 42.053 -0.067 19515 1402 1 10 . 1 1 669 669 LEU H H 669 7.813 7.813 7.916 -0.103 19515 1403 1 10 . 1 1 670 670 TRP N N 670 115.164 115.164 118.181 -3.017 19515 1404 1 10 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.444 0.197 19515 1405 1 10 . 1 1 670 670 TRP C C 670 177.139 177.139 177.403 -0.264 19515 1406 1 10 . 1 1 670 670 TRP CA C 670 58.242 58.242 59.011 -0.769 19515 1407 1 10 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.698 -0.167 19515 1408 1 10 . 1 1 670 670 TRP H H 670 7.554 7.554 7.878 -0.324 19515 1409 1 10 . 1 1 671 671 SER N N 671 111.992 111.992 114.376 -2.384 19515 1410 1 10 . 1 1 671 671 SER HA H 671 4.396 4.396 4.507 -0.111 19515 1411 1 10 . 1 1 671 671 SER C C 671 175.159 175.159 175.477 -0.318 19515 1412 1 10 . 1 1 671 671 SER CA C 671 60.034 60.034 61.111 -1.077 19515 1413 1 10 . 1 1 671 671 SER CB C 671 63.623 63.623 63.847 -0.224 19515 1414 1 10 . 1 1 671 671 SER H H 671 7.988 7.988 7.791 0.197 19515 1415 1 10 . 1 1 672 672 TRP N N 672 120.173 120.173 117.635 2.538 19515 1416 1 10 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.924 -0.399 19515 1417 1 10 . 1 1 672 672 TRP C C 672 176.153 176.153 176.467 -0.314 19515 1418 1 10 . 1 1 672 672 TRP CA C 672 58.637 58.637 56.478 2.159 19515 1419 1 10 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.616 0.047 19515 1420 1 10 . 1 1 672 672 TRP H H 672 7.872 7.872 6.979 0.893 19515 1421 1 10 . 1 1 673 673 PHE N N 673 117.414 117.414 122.695 -5.281 19515 1422 1 10 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.521 -0.143 19515 1423 1 10 . 1 1 673 673 PHE C C 673 174.357 174.357 174.101 0.256 19515 1424 1 10 . 1 1 673 673 PHE CA C 673 58.139 58.139 56.092 2.047 19515 1425 1 10 . 1 1 673 673 PHE CB C 673 39.384 39.384 38.157 1.227 19515 1426 1 10 . 1 1 673 673 PHE H H 673 7.783 7.783 7.173 0.610 19515 1427 1 10 . 1 1 674 674 ASP N N 674 120.414 120.414 119.597 0.817 19515 1428 1 10 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.808 -0.176 19515 1429 1 10 . 1 1 674 674 ASP C C 674 176.749 176.749 176.227 0.522 19515 1430 1 10 . 1 1 674 674 ASP CA C 674 53.569 53.569 53.550 0.020 19515 1431 1 10 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.827 -0.172 19515 1432 1 10 . 1 1 674 674 ASP H H 674 7.725 7.725 7.484 0.241 19515 1433 1 10 . 1 1 675 675 ILE N N 675 120.320 120.320 123.478 -3.158 19515 1434 1 10 . 1 1 675 675 ILE HA H 675 3.791 3.791 3.911 -0.120 19515 1435 1 10 . 1 1 675 675 ILE C C 675 176.683 176.683 177.722 -1.039 19515 1436 1 10 . 1 1 675 675 ILE CA C 675 63.208 63.208 60.431 2.777 19515 1437 1 10 . 1 1 675 675 ILE CB C 675 38.336 38.336 37.285 1.051 19515 1438 1 10 . 1 1 675 675 ILE H H 675 8.196 8.196 8.338 -0.142 19515 1439 1 10 . 1 1 676 676 THR N N 676 111.977 111.977 115.971 -3.994 19515 1440 1 10 . 1 1 676 676 THR HA H 676 3.903 3.903 4.054 -0.151 19515 1441 1 10 . 1 1 676 676 THR C C 676 176.347 176.347 176.271 0.076 19515 1442 1 10 . 1 1 676 676 THR CA C 676 65.643 65.643 66.435 -0.792 19515 1443 1 10 . 1 1 676 676 THR CB C 676 68.453 68.453 68.826 -0.373 19515 1444 1 10 . 1 1 676 676 THR H H 676 8.114 8.114 8.370 -0.256 19515 1445 1 10 . 1 1 677 677 LYS N N 677 119.101 119.101 119.987 -0.886 19515 1446 1 10 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.178 -0.163 19515 1447 1 10 . 1 1 677 677 LYS C C 677 177.394 177.394 178.747 -1.353 19515 1448 1 10 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.312 -1.169 19515 1449 1 10 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.295 -0.170 19515 1450 1 10 . 1 1 677 677 LYS H H 677 7.512 7.512 8.152 -0.640 19515 1451 1 10 . 1 1 678 678 TRP N N 678 116.945 116.945 119.591 -2.646 19515 1452 1 10 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.568 0.117 19515 1453 1 10 . 1 1 678 678 TRP C C 678 176.964 176.964 178.958 -1.994 19515 1454 1 10 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.380 -2.122 19515 1455 1 10 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.132 -0.313 19515 1456 1 10 . 1 1 678 678 TRP H H 678 7.525 7.525 8.393 -0.868 19515 1457 1 10 . 1 1 679 679 LEU N N 679 116.664 116.664 119.914 -3.250 19515 1458 1 10 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.188 -0.106 19515 1459 1 10 . 1 1 679 679 LEU C C 679 177.458 177.458 178.934 -1.476 19515 1460 1 10 . 1 1 679 679 LEU CA C 679 56.839 56.839 57.796 -0.957 19515 1461 1 10 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.295 0.617 19515 1462 1 10 . 1 1 679 679 LEU H H 679 7.786 7.786 8.562 -0.776 19515 1463 1 10 . 1 1 680 680 TRP N N 680 116.195 116.195 120.970 -4.775 19515 1464 1 10 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.522 -0.165 19515 1465 1 10 . 1 1 680 680 TRP C C 680 176.394 176.394 178.232 -1.838 19515 1466 1 10 . 1 1 680 680 TRP CA C 680 58.948 58.948 60.808 -1.860 19515 1467 1 10 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.631 -0.496 19515 1468 1 10 . 1 1 680 680 TRP H H 680 7.547 7.547 8.895 -1.348 19515 1469 1 10 . 1 1 681 681 TYR N N 681 115.352 115.352 118.266 -2.914 19515 1470 1 10 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.429 -0.279 19515 1471 1 10 . 1 1 681 681 TYR C C 681 175.671 175.671 176.776 -1.105 19515 1472 1 10 . 1 1 681 681 TYR CA C 681 59.780 59.780 61.065 -1.285 19515 1473 1 10 . 1 1 681 681 TYR CB C 681 39.011 39.011 38.920 0.091 19515 1474 1 10 . 1 1 681 681 TYR H H 681 7.471 7.471 7.963 -0.492 19515 1475 1 10 . 1 1 682 682 ILE N N 682 113.570 113.570 116.636 -3.066 19515 1476 1 10 . 1 1 682 682 ILE HA H 682 4.211 4.211 4.266 -0.055 19515 1477 1 10 . 1 1 682 682 ILE C C 682 174.166 174.166 176.684 -2.518 19515 1478 1 10 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.483 -0.319 19515 1479 1 10 . 1 1 682 682 ILE CB C 682 38.869 38.869 38.276 0.593 19515 1480 1 10 . 1 1 682 682 ILE H H 682 7.471 7.471 7.635 -0.164 19515 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 3.172 2.434 2.078 19515 2 1 1 "Average Difference" HA 25 0.180 0.109 0.147 19515 3 1 1 "Average Difference" C 25 1.082 0.817 0.723 19515 4 1 1 "Average Difference" CA 25 1.254 0.403 1.212 19515 5 1 1 "Average Difference" CB 25 0.563 -0.026 0.574 19515 6 1 1 "Average Difference" HN 24 0.559 0.157 0.548 19515 7 1 2 "Average Difference" N 24 2.829 2.067 1.972 19515 8 1 2 "Average Difference" HA 25 0.179 0.105 0.148 19515 9 1 2 "Average Difference" C 25 1.099 0.783 0.787 19515 10 1 2 "Average Difference" CA 25 1.212 0.309 1.196 19515 11 1 2 "Average Difference" CB 25 0.615 -0.076 0.623 19515 12 1 2 "Average Difference" HN 24 0.495 0.094 0.497 19515 13 1 3 "Average Difference" N 24 2.885 2.003 2.121 19515 14 1 3 "Average Difference" HA 25 0.195 0.117 0.159 19515 15 1 3 "Average Difference" C 25 1.034 0.742 0.736 19515 16 1 3 "Average Difference" CA 25 1.143 0.238 1.141 19515 17 1 3 "Average Difference" CB 25 0.600 -0.093 0.605 19515 18 1 3 "Average Difference" HN 24 0.530 0.080 0.535 19515 19 1 4 "Average Difference" N 24 2.952 2.288 1.906 19515 20 1 4 "Average Difference" HA 25 0.171 0.044 0.168 19515 21 1 4 "Average Difference" C 25 1.031 0.764 0.707 19515 22 1 4 "Average Difference" CA 25 1.108 0.292 1.091 19515 23 1 4 "Average Difference" CB 25 0.581 -0.100 0.585 19515 24 1 4 "Average Difference" HN 24 0.528 0.104 0.529 19515 25 1 5 "Average Difference" N 24 2.575 1.898 1.777 19515 26 1 5 "Average Difference" HA 25 0.175 0.087 0.156 19515 27 1 5 "Average Difference" C 25 1.028 0.716 0.753 19515 28 1 5 "Average Difference" CA 25 1.263 0.383 1.228 19515 29 1 5 "Average Difference" CB 25 0.523 -0.154 0.511 19515 30 1 5 "Average Difference" HN 24 0.492 0.125 0.486 19515 31 1 6 "Average Difference" N 24 2.821 2.010 2.022 19515 32 1 6 "Average Difference" HA 25 0.168 0.089 0.145 19515 33 1 6 "Average Difference" C 25 1.028 0.645 0.817 19515 34 1 6 "Average Difference" CA 25 1.290 0.364 1.263 19515 35 1 6 "Average Difference" CB 25 0.569 -0.078 0.576 19515 36 1 6 "Average Difference" HN 24 0.551 0.078 0.557 19515 37 1 7 "Average Difference" N 24 2.887 2.026 2.101 19515 38 1 7 "Average Difference" HA 25 0.210 0.090 0.193 19515 39 1 7 "Average Difference" C 25 1.000 0.646 0.778 19515 40 1 7 "Average Difference" CA 25 1.241 0.360 1.213 19515 41 1 7 "Average Difference" CB 25 0.576 -0.004 0.587 19515 42 1 7 "Average Difference" HN 24 0.492 0.096 0.493 19515 43 1 8 "Average Difference" N 24 2.764 1.872 2.076 19515 44 1 8 "Average Difference" HA 25 0.177 0.084 0.160 19515 45 1 8 "Average Difference" C 25 1.084 0.729 0.819 19515 46 1 8 "Average Difference" CA 25 1.195 0.301 1.181 19515 47 1 8 "Average Difference" CB 25 0.507 -0.093 0.509 19515 48 1 8 "Average Difference" HN 24 0.521 0.094 0.523 19515 49 1 9 "Average Difference" N 24 3.164 2.257 2.265 19515 50 1 9 "Average Difference" HA 25 0.170 0.047 0.167 19515 51 1 9 "Average Difference" C 25 1.027 0.688 0.778 19515 52 1 9 "Average Difference" CA 25 1.313 0.328 1.298 19515 53 1 9 "Average Difference" CB 25 0.543 -0.027 0.554 19515 54 1 9 "Average Difference" HN 24 0.593 0.093 0.598 19515 55 1 10 "Average Difference" N 24 2.930 1.925 2.256 19515 56 1 10 "Average Difference" HA 25 0.187 0.064 0.180 19515 57 1 10 "Average Difference" C 25 1.055 0.648 0.850 19515 58 1 10 "Average Difference" CA 25 1.324 0.288 1.319 19515 59 1 10 "Average Difference" CB 25 0.607 -0.104 0.610 19515 60 1 10 "Average Difference" HN 24 0.501 0.123 0.497 19515 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 19515 _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 4.292 4.292 4.372 -0.080 19515 2 1 . 1 1 658 658 LYS C C 658 175.668 175.668 175.009 0.659 19515 3 1 . 1 1 658 658 LYS CA C 658 56.747 56.747 56.158 0.589 19515 4 1 . 1 1 658 658 LYS CB C 658 32.868 32.868 32.680 0.188 19515 5 1 . 1 1 659 659 ASP N N 659 120.320 120.320 121.445 -1.125 19515 6 1 . 1 1 659 659 ASP HA H 659 4.583 4.583 4.771 -0.189 19515 7 1 . 1 1 659 659 ASP C C 659 176.214 176.214 177.183 -0.969 19515 8 1 . 1 1 659 659 ASP CA C 659 54.342 54.342 53.711 0.631 19515 9 1 . 1 1 659 659 ASP CB C 659 41.140 41.140 42.144 -1.004 19515 10 1 . 1 1 659 659 ASP H H 659 8.360 8.360 8.295 0.065 19515 11 1 . 1 1 660 660 LEU N N 660 121.445 121.445 123.722 -2.277 19515 12 1 . 1 1 660 660 LEU HA H 660 4.221 4.221 4.264 -0.043 19515 13 1 . 1 1 660 660 LEU C C 660 177.071 177.071 177.895 -0.824 19515 14 1 . 1 1 660 660 LEU CA C 660 56.317 56.317 56.660 -0.343 19515 15 1 . 1 1 660 660 LEU CB C 660 42.498 42.498 42.380 0.118 19515 16 1 . 1 1 660 660 LEU H H 660 8.388 8.388 8.802 -0.414 19515 17 1 . 1 1 661 661 LEU N N 661 118.164 118.164 118.640 -0.475 19515 18 1 . 1 1 661 661 LEU HA H 661 4.321 4.321 4.630 -0.309 19515 19 1 . 1 1 661 661 LEU C C 661 176.473 176.473 176.312 0.161 19515 20 1 . 1 1 661 661 LEU CA C 661 54.791 54.791 54.105 0.686 19515 21 1 . 1 1 661 661 LEU CB C 661 42.060 42.060 42.061 -0.000 19515 22 1 . 1 1 661 661 LEU H H 661 8.114 8.114 8.012 0.102 19515 23 1 . 1 1 662 662 ALA N N 662 122.289 122.289 123.161 -0.872 19515 24 1 . 1 1 662 662 ALA HA H 662 4.336 4.336 4.278 0.058 19515 25 1 . 1 1 662 662 ALA C C 662 177.849 177.849 178.675 -0.826 19515 26 1 . 1 1 662 662 ALA CA C 662 52.516 52.516 52.591 -0.076 19515 27 1 . 1 1 662 662 ALA CB C 662 19.213 19.213 17.664 1.549 19515 28 1 . 1 1 662 662 ALA H H 662 7.936 7.936 7.671 0.265 19515 29 1 . 1 1 663 663 LEU N N 663 119.570 119.570 126.253 -6.683 19515 30 1 . 1 1 663 663 LEU HA H 663 4.200 4.200 4.129 0.071 19515 31 1 . 1 1 663 663 LEU C C 663 177.653 177.653 178.299 -0.646 19515 32 1 . 1 1 663 663 LEU CA C 663 56.516 56.516 57.863 -1.347 19515 33 1 . 1 1 663 663 LEU CB C 663 42.032 42.032 41.823 0.209 19515 34 1 . 1 1 663 663 LEU H H 663 8.210 8.210 8.337 -0.127 19515 35 1 . 1 1 664 664 ASP N N 664 117.320 117.320 117.685 -0.365 19515 36 1 . 1 1 664 664 ASP HA H 664 4.505 4.505 4.475 0.031 19515 37 1 . 1 1 664 664 ASP C C 664 177.568 177.568 177.701 -0.133 19515 38 1 . 1 1 664 664 ASP CA C 664 55.679 55.679 56.687 -1.008 19515 39 1 . 1 1 664 664 ASP CB C 664 40.468 40.468 40.463 0.005 19515 40 1 . 1 1 664 664 ASP H H 664 8.360 8.360 8.574 -0.214 19515 41 1 . 1 1 665 665 LYS N N 665 118.403 118.403 117.699 0.704 19515 42 1 . 1 1 665 665 LYS HA H 665 4.188 4.188 4.452 -0.264 19515 43 1 . 1 1 665 665 LYS C C 665 177.428 177.428 178.521 -1.093 19515 44 1 . 1 1 665 665 LYS CA C 665 57.552 57.552 56.835 0.717 19515 45 1 . 1 1 665 665 LYS CB C 665 32.253 32.253 33.037 -0.784 19515 46 1 . 1 1 665 665 LYS H H 665 7.957 7.957 8.262 -0.305 19515 47 1 . 1 1 666 666 TRP N N 666 119.008 119.008 121.521 -2.513 19515 48 1 . 1 1 666 666 TRP HA H 666 4.518 4.518 4.390 0.128 19515 49 1 . 1 1 666 666 TRP C C 666 176.614 176.614 177.773 -1.159 19515 50 1 . 1 1 666 666 TRP CA C 666 58.613 58.613 60.631 -2.018 19515 51 1 . 1 1 666 666 TRP CB C 666 29.388 29.388 29.325 0.063 19515 52 1 . 1 1 666 666 TRP H H 666 8.018 8.018 7.559 0.459 19515 53 1 . 1 1 667 667 ASN N N 667 115.789 115.789 118.001 -2.212 19515 54 1 . 1 1 667 667 ASN HA H 667 4.405 4.405 4.544 -0.139 19515 55 1 . 1 1 667 667 ASN C C 667 177.139 177.139 177.459 -0.320 19515 56 1 . 1 1 667 667 ASN CA C 667 55.638 55.638 56.673 -1.035 19515 57 1 . 1 1 667 667 ASN CB C 667 38.559 38.559 38.426 0.133 19515 58 1 . 1 1 667 667 ASN H H 667 8.177 8.177 8.106 0.071 19515 59 1 . 1 1 668 668 SER N N 668 114.122 114.122 115.028 -0.906 19515 60 1 . 1 1 668 668 SER HA H 668 4.339 4.339 4.433 -0.093 19515 61 1 . 1 1 668 668 SER C C 668 175.509 175.509 176.148 -0.639 19515 62 1 . 1 1 668 668 SER CA C 668 60.480 60.480 61.093 -0.613 19515 63 1 . 1 1 668 668 SER CB C 668 63.178 63.178 63.425 -0.247 19515 64 1 . 1 1 668 668 SER H H 668 8.113 8.113 7.641 0.472 19515 65 1 . 1 1 669 669 LEU N N 669 121.445 121.445 121.094 0.351 19515 66 1 . 1 1 669 669 LEU HA H 669 3.979 3.979 3.872 0.107 19515 67 1 . 1 1 669 669 LEU C C 669 177.357 177.357 177.596 -0.239 19515 68 1 . 1 1 669 669 LEU CA C 669 57.507 57.507 57.289 0.218 19515 69 1 . 1 1 669 669 LEU CB C 669 41.986 41.986 42.044 -0.058 19515 70 1 . 1 1 669 669 LEU H H 669 7.813 7.813 7.898 -0.085 19515 71 1 . 1 1 670 670 TRP N N 670 115.164 115.164 117.927 -2.763 19515 72 1 . 1 1 670 670 TRP HA H 670 4.641 4.641 4.446 0.195 19515 73 1 . 1 1 670 670 TRP C C 670 177.139 177.139 177.316 -0.177 19515 74 1 . 1 1 670 670 TRP CA C 670 58.242 58.242 58.899 -0.657 19515 75 1 . 1 1 670 670 TRP CB C 670 29.531 29.531 29.666 -0.135 19515 76 1 . 1 1 670 670 TRP H H 670 7.554 7.554 7.898 -0.344 19515 77 1 . 1 1 671 671 SER N N 671 111.992 111.992 114.552 -2.560 19515 78 1 . 1 1 671 671 SER HA H 671 4.396 4.396 4.463 -0.067 19515 79 1 . 1 1 671 671 SER C C 671 175.159 175.159 175.539 -0.380 19515 80 1 . 1 1 671 671 SER CA C 671 60.034 60.034 60.734 -0.700 19515 81 1 . 1 1 671 671 SER CB C 671 63.623 63.623 63.733 -0.110 19515 82 1 . 1 1 671 671 SER H H 671 7.988 7.988 7.755 0.233 19515 83 1 . 1 1 672 672 TRP N N 672 120.173 120.173 118.322 1.850 19515 84 1 . 1 1 672 672 TRP HA H 672 4.525 4.525 4.870 -0.345 19515 85 1 . 1 1 672 672 TRP C C 672 176.153 176.153 176.440 -0.286 19515 86 1 . 1 1 672 672 TRP CA C 672 58.637 58.637 56.486 2.151 19515 87 1 . 1 1 672 672 TRP CB C 672 29.663 29.663 29.569 0.094 19515 88 1 . 1 1 672 672 TRP H H 672 7.872 7.872 6.964 0.908 19515 89 1 . 1 1 673 673 PHE N N 673 117.414 117.414 121.173 -3.759 19515 90 1 . 1 1 673 673 PHE HA H 673 4.378 4.378 4.509 -0.131 19515 91 1 . 1 1 673 673 PHE C C 673 174.357 174.357 174.525 -0.168 19515 92 1 . 1 1 673 673 PHE CA C 673 58.139 58.139 56.811 1.328 19515 93 1 . 1 1 673 673 PHE CB C 673 39.384 39.384 38.658 0.726 19515 94 1 . 1 1 673 673 PHE H H 673 7.783 7.783 7.076 0.707 19515 95 1 . 1 1 674 674 ASP N N 674 120.414 120.414 121.123 -0.709 19515 96 1 . 1 1 674 674 ASP HA H 674 4.632 4.632 4.814 -0.182 19515 97 1 . 1 1 674 674 ASP C C 674 176.749 176.749 176.443 0.306 19515 98 1 . 1 1 674 674 ASP CA C 674 53.569 53.569 53.812 -0.243 19515 99 1 . 1 1 674 674 ASP CB C 674 40.655 40.655 40.641 0.014 19515 100 1 . 1 1 674 674 ASP H H 674 7.725 7.725 7.627 0.098 19515 101 1 . 1 1 675 675 ILE N N 675 120.320 120.320 124.968 -4.647 19515 102 1 . 1 1 675 675 ILE HA H 675 3.791 3.791 3.934 -0.143 19515 103 1 . 1 1 675 675 ILE C C 675 176.683 176.683 177.767 -1.084 19515 104 1 . 1 1 675 675 ILE CA C 675 63.208 63.208 61.017 2.191 19515 105 1 . 1 1 675 675 ILE CB C 675 38.336 38.336 37.353 0.983 19515 106 1 . 1 1 675 675 ILE H H 675 8.196 8.196 8.251 -0.055 19515 107 1 . 1 1 676 676 THR N N 676 111.977 111.977 114.961 -2.984 19515 108 1 . 1 1 676 676 THR HA H 676 3.903 3.903 4.025 -0.122 19515 109 1 . 1 1 676 676 THR C C 676 176.347 176.347 176.538 -0.191 19515 110 1 . 1 1 676 676 THR CA C 676 65.643 65.643 66.411 -0.768 19515 111 1 . 1 1 676 676 THR CB C 676 68.453 68.453 68.541 -0.088 19515 112 1 . 1 1 676 676 THR H H 676 8.114 8.114 8.358 -0.244 19515 113 1 . 1 1 677 677 LYS N N 677 119.101 119.101 120.550 -1.449 19515 114 1 . 1 1 677 677 LYS HA H 677 4.015 4.015 4.161 -0.146 19515 115 1 . 1 1 677 677 LYS C C 677 177.394 177.394 178.693 -1.299 19515 116 1 . 1 1 677 677 LYS CA C 677 58.143 58.143 59.283 -1.140 19515 117 1 . 1 1 677 677 LYS CB C 677 32.125 32.125 32.237 -0.112 19515 118 1 . 1 1 677 677 LYS H H 677 7.512 7.512 8.072 -0.560 19515 119 1 . 1 1 678 678 TRP N N 678 116.945 116.945 119.686 -2.741 19515 120 1 . 1 1 678 678 TRP HA H 678 4.685 4.685 4.619 0.066 19515 121 1 . 1 1 678 678 TRP C C 678 176.964 176.964 178.869 -1.905 19515 122 1 . 1 1 678 678 TRP CA C 678 58.258 58.258 60.460 -2.202 19515 123 1 . 1 1 678 678 TRP CB C 678 29.819 29.819 30.174 -0.355 19515 124 1 . 1 1 678 678 TRP H H 678 7.525 7.525 8.412 -0.887 19515 125 1 . 1 1 679 679 LEU N N 679 116.664 116.664 119.712 -3.048 19515 126 1 . 1 1 679 679 LEU HA H 679 4.082 4.082 4.201 -0.119 19515 127 1 . 1 1 679 679 LEU C C 679 177.458 177.458 178.980 -1.522 19515 128 1 . 1 1 679 679 LEU CA C 679 56.839 56.839 57.802 -0.963 19515 129 1 . 1 1 679 679 LEU CB C 679 41.912 41.912 41.365 0.547 19515 130 1 . 1 1 679 679 LEU H H 679 7.786 7.786 8.515 -0.729 19515 131 1 . 1 1 680 680 TRP N N 680 116.195 116.195 121.129 -4.933 19515 132 1 . 1 1 680 680 TRP HA H 680 4.357 4.357 4.420 -0.063 19515 133 1 . 1 1 680 680 TRP C C 680 176.394 176.394 177.931 -1.537 19515 134 1 . 1 1 680 680 TRP CA C 680 58.948 58.948 60.986 -2.038 19515 135 1 . 1 1 680 680 TRP CB C 680 29.135 29.135 29.641 -0.506 19515 136 1 . 1 1 680 680 TRP H H 680 7.547 7.547 8.900 -1.353 19515 137 1 . 1 1 681 681 TYR N N 681 115.352 115.352 118.256 -2.904 19515 138 1 . 1 1 681 681 TYR HA H 681 4.150 4.150 4.438 -0.288 19515 139 1 . 1 1 681 681 TYR C C 681 175.671 175.671 176.768 -1.097 19515 140 1 . 1 1 681 681 TYR CA C 681 59.780 59.780 60.929 -1.149 19515 141 1 . 1 1 681 681 TYR CB C 681 39.011 39.011 38.930 0.081 19515 142 1 . 1 1 681 681 TYR H H 681 7.471 7.471 7.928 -0.457 19515 143 1 . 1 1 682 682 ILE N N 682 113.570 113.570 116.422 -2.852 19515 144 1 . 1 1 682 682 ILE HA H 682 4.211 4.211 4.234 -0.023 19515 145 1 . 1 1 682 682 ILE C C 682 174.166 174.166 176.743 -2.577 19515 146 1 . 1 1 682 682 ILE CA C 682 61.164 61.164 61.538 -0.374 19515 147 1 . 1 1 682 682 ILE CB C 682 38.869 38.869 38.297 0.572 19515 148 1 . 1 1 682 682 ILE H H 682 7.471 7.471 7.577 -0.106 19515 stop_ save_