data_19514 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19514 _Entry.PDB_ID 2ME3 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 19514 _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 4.273 4.273 4.499 -0.226 19514 2 1 1 . 1 1 658 658 LYS C C 658 175.560 175.560 175.188 0.372 19514 3 1 1 . 1 1 658 658 LYS CA C 658 56.733 56.733 56.180 0.553 19514 4 1 1 . 1 1 658 658 LYS CB C 658 32.982 32.982 32.651 0.331 19514 5 1 1 . 1 1 659 659 ASP N N 659 121.529 121.529 120.013 1.516 19514 6 1 1 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.557 0.029 19514 7 1 1 . 1 1 659 659 ASP C C 659 176.458 176.458 178.266 -1.808 19514 8 1 1 . 1 1 659 659 ASP CA C 659 54.219 54.219 53.693 0.526 19514 9 1 1 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.881 -0.557 19514 10 1 1 . 1 1 659 659 ASP H H 659 8.329 8.329 7.961 0.368 19514 11 1 1 . 1 1 660 660 LEU N N 660 123.060 123.060 120.379 2.681 19514 12 1 1 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.305 -0.111 19514 13 1 1 . 1 1 660 660 LEU C C 660 177.101 177.101 177.791 -0.690 19514 14 1 1 . 1 1 660 660 LEU CA C 660 56.564 56.564 56.228 0.336 19514 15 1 1 . 1 1 660 660 LEU CB C 660 42.489 42.489 41.778 0.711 19514 16 1 1 . 1 1 660 660 LEU H H 660 8.490 8.490 8.516 -0.026 19514 17 1 1 . 1 1 661 661 LEU N N 661 118.573 118.573 118.611 -0.038 19514 18 1 1 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.454 -0.105 19514 19 1 1 . 1 1 661 661 LEU C C 661 176.328 176.328 176.013 0.315 19514 20 1 1 . 1 1 661 661 LEU CA C 661 54.819 54.819 54.062 0.757 19514 21 1 1 . 1 1 661 661 LEU CB C 661 41.778 41.778 40.075 1.703 19514 22 1 1 . 1 1 661 661 LEU H H 661 8.114 8.114 7.908 0.206 19514 23 1 1 . 1 1 662 662 ALA N N 662 122.836 122.836 123.102 -0.266 19514 24 1 1 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.210 0.195 19514 25 1 1 . 1 1 662 662 ALA C C 662 177.949 177.949 178.096 -0.147 19514 26 1 1 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.324 -0.187 19514 27 1 1 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.577 0.846 19514 28 1 1 . 1 1 662 662 ALA H H 662 7.849 7.849 7.498 0.351 19514 29 1 1 . 1 1 663 663 LEU N N 663 121.289 121.289 126.023 -4.734 19514 30 1 1 . 1 1 663 663 LEU HA H 663 4.185 4.185 3.887 0.298 19514 31 1 1 . 1 1 663 663 LEU C C 663 177.903 177.903 178.267 -0.364 19514 32 1 1 . 1 1 663 663 LEU CA C 663 56.657 56.657 57.634 -0.977 19514 33 1 1 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.636 0.309 19514 34 1 1 . 1 1 663 663 LEU H H 663 8.302 8.302 8.732 -0.430 19514 35 1 1 . 1 1 664 664 ASP N N 664 118.100 118.100 118.028 0.072 19514 36 1 1 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.516 -0.097 19514 37 1 1 . 1 1 664 664 ASP C C 664 177.559 177.559 177.890 -0.331 19514 38 1 1 . 1 1 664 664 ASP CA C 664 56.307 56.307 57.086 -0.779 19514 39 1 1 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.517 0.372 19514 40 1 1 . 1 1 664 664 ASP H H 664 8.437 8.437 8.546 -0.109 19514 41 1 1 . 1 1 665 665 SER N N 665 113.890 113.890 114.117 -0.227 19514 42 1 1 . 1 1 665 665 SER HA H 665 4.348 4.348 4.453 -0.105 19514 43 1 1 . 1 1 665 665 SER C C 665 175.610 175.610 176.629 -1.019 19514 44 1 1 . 1 1 665 665 SER CA C 665 59.988 59.988 59.555 0.433 19514 45 1 1 . 1 1 665 665 SER CB C 665 63.470 63.470 63.823 -0.353 19514 46 1 1 . 1 1 665 665 SER H H 665 7.894 7.894 8.115 -0.221 19514 47 1 1 . 1 1 666 666 TRP N N 666 122.515 122.515 124.102 -1.587 19514 48 1 1 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.085 0.395 19514 49 1 1 . 1 1 666 666 TRP C C 666 177.235 177.235 177.476 -0.241 19514 50 1 1 . 1 1 666 666 TRP CA C 666 59.020 59.020 60.941 -1.921 19514 51 1 1 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.277 0.161 19514 52 1 1 . 1 1 666 666 TRP H H 666 8.038 8.038 8.592 -0.554 19514 53 1 1 . 1 1 667 667 LYS N N 667 118.444 118.444 118.866 -0.422 19514 54 1 1 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.948 -0.031 19514 55 1 1 . 1 1 667 667 LYS C C 667 177.985 177.985 178.798 -0.813 19514 56 1 1 . 1 1 667 667 LYS CA C 667 59.486 59.486 59.851 -0.365 19514 57 1 1 . 1 1 667 667 LYS CB C 667 32.300 32.300 32.012 0.288 19514 58 1 1 . 1 1 667 667 LYS H H 667 7.882 7.882 8.051 -0.169 19514 59 1 1 . 1 1 668 668 ASN N N 668 116.413 116.413 117.955 -1.542 19514 60 1 1 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.521 0.107 19514 61 1 1 . 1 1 668 668 ASN C C 668 177.013 177.013 177.451 -0.438 19514 62 1 1 . 1 1 668 668 ASN CA C 668 55.039 55.039 55.814 -0.775 19514 63 1 1 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.250 0.047 19514 64 1 1 . 1 1 668 668 ASN H H 668 8.045 8.045 7.547 0.498 19514 65 1 1 . 1 1 669 669 LEU N N 669 120.829 120.829 121.836 -1.007 19514 66 1 1 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.447 0.577 19514 67 1 1 . 1 1 669 669 LEU C C 669 177.559 177.559 177.971 -0.412 19514 68 1 1 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.796 0.145 19514 69 1 1 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.520 0.636 19514 70 1 1 . 1 1 669 669 LEU H H 669 7.804 7.804 7.547 0.257 19514 71 1 1 . 1 1 670 670 TRP N N 670 117.321 117.321 117.336 -0.015 19514 72 1 1 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.509 0.035 19514 73 1 1 . 1 1 670 670 TRP C C 670 177.194 177.194 177.596 -0.402 19514 74 1 1 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.735 0.268 19514 75 1 1 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.562 0.152 19514 76 1 1 . 1 1 670 670 TRP H H 670 7.887 7.887 7.865 0.022 19514 77 1 1 . 1 1 671 671 ASN N N 671 115.549 115.549 114.938 0.611 19514 78 1 1 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.803 -0.253 19514 79 1 1 . 1 1 671 671 ASN C C 671 176.520 176.520 176.344 0.176 19514 80 1 1 . 1 1 671 671 ASN CA C 671 55.017 55.017 55.645 -0.628 19514 81 1 1 . 1 1 671 671 ASN CB C 671 38.658 38.658 39.148 -0.490 19514 82 1 1 . 1 1 671 671 ASN H H 671 7.968 7.968 7.880 0.088 19514 83 1 1 . 1 1 672 672 TRP N N 672 120.350 120.350 119.604 0.746 19514 84 1 1 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.264 0.128 19514 85 1 1 . 1 1 672 672 TRP C C 672 176.592 176.592 177.561 -0.969 19514 86 1 1 . 1 1 672 672 TRP CA C 672 59.356 59.356 60.310 -0.954 19514 87 1 1 . 1 1 672 672 TRP CB C 672 29.446 29.446 29.283 0.163 19514 88 1 1 . 1 1 672 672 TRP H H 672 8.013 8.013 7.568 0.445 19514 89 1 1 . 1 1 673 673 PHE N N 673 117.559 117.559 117.875 -0.316 19514 90 1 1 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.543 -0.284 19514 91 1 1 . 1 1 673 673 PHE C C 673 175.068 175.068 176.495 -1.427 19514 92 1 1 . 1 1 673 673 PHE CA C 673 58.863 58.863 58.817 0.046 19514 93 1 1 . 1 1 673 673 PHE CB C 673 39.298 39.298 37.870 1.428 19514 94 1 1 . 1 1 673 673 PHE H H 673 7.881 7.881 7.686 0.195 19514 95 1 1 . 1 1 674 674 ASN N N 674 118.329 118.329 125.032 -6.703 19514 96 1 1 . 1 1 674 674 ASN HA H 674 4.569 4.569 4.949 -0.380 19514 97 1 1 . 1 1 674 674 ASN C C 674 175.956 175.956 175.838 0.118 19514 98 1 1 . 1 1 674 674 ASN CA C 674 53.378 53.378 51.635 1.743 19514 99 1 1 . 1 1 674 674 ASN CB C 674 38.420 38.420 37.241 1.179 19514 100 1 1 . 1 1 674 674 ASN H H 674 7.750 7.750 8.705 -0.955 19514 101 1 1 . 1 1 675 675 ILE N N 675 119.444 119.444 116.428 3.016 19514 102 1 1 . 1 1 675 675 ILE HA H 675 3.727 3.727 2.289 1.438 19514 103 1 1 . 1 1 675 675 ILE C C 675 176.638 176.638 176.812 -0.174 19514 104 1 1 . 1 1 675 675 ILE CA C 675 63.104 63.104 64.464 -1.360 19514 105 1 1 . 1 1 675 675 ILE CB C 675 38.280 38.280 36.863 1.417 19514 106 1 1 . 1 1 675 675 ILE H H 675 8.015 8.015 7.413 0.602 19514 107 1 1 . 1 1 676 676 THR N N 676 114.109 114.109 113.087 1.022 19514 108 1 1 . 1 1 676 676 THR HA H 676 3.913 3.913 3.791 0.122 19514 109 1 1 . 1 1 676 676 THR C C 676 175.587 175.587 176.663 -1.076 19514 110 1 1 . 1 1 676 676 THR CA C 676 65.121 65.121 66.578 -1.457 19514 111 1 1 . 1 1 676 676 THR CB C 676 68.794 68.794 68.464 0.330 19514 112 1 1 . 1 1 676 676 THR H H 676 7.889 7.889 8.262 -0.373 19514 113 1 1 . 1 1 677 677 ASN N N 677 118.858 118.858 119.142 -0.284 19514 114 1 1 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.566 0.014 19514 115 1 1 . 1 1 677 677 ASN C C 677 176.077 176.077 177.604 -1.527 19514 116 1 1 . 1 1 677 677 ASN CA C 677 54.605 54.605 56.035 -1.429 19514 117 1 1 . 1 1 677 677 ASN CB C 677 38.308 38.308 39.041 -0.733 19514 118 1 1 . 1 1 677 677 ASN H H 677 7.862 7.862 8.188 -0.326 19514 119 1 1 . 1 1 678 678 TRP N N 678 119.189 119.189 118.413 0.776 19514 120 1 1 . 1 1 678 678 TRP HA H 678 4.617 4.617 4.961 -0.344 19514 121 1 1 . 1 1 678 678 TRP C C 678 176.898 176.898 178.224 -1.326 19514 122 1 1 . 1 1 678 678 TRP CA C 678 58.582 58.582 58.077 0.505 19514 123 1 1 . 1 1 678 678 TRP CB C 678 29.597 29.597 29.042 0.555 19514 124 1 1 . 1 1 678 678 TRP H H 678 7.795 7.795 7.644 0.151 19514 125 1 1 . 1 1 679 679 LEU N N 679 117.805 117.805 121.526 -3.721 19514 126 1 1 . 1 1 679 679 LEU HA H 679 4.023 4.023 4.154 -0.131 19514 127 1 1 . 1 1 679 679 LEU C C 679 177.463 177.463 179.005 -1.542 19514 128 1 1 . 1 1 679 679 LEU CA C 679 56.776 56.776 57.260 -0.484 19514 129 1 1 . 1 1 679 679 LEU CB C 679 41.775 41.775 41.176 0.599 19514 130 1 1 . 1 1 679 679 LEU H H 679 7.753 7.753 8.618 -0.865 19514 131 1 1 . 1 1 680 680 TRP N N 680 117.351 117.351 121.366 -4.015 19514 132 1 1 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.454 -0.122 19514 133 1 1 . 1 1 680 680 TRP C C 680 176.369 176.369 176.940 -0.571 19514 134 1 1 . 1 1 680 680 TRP CA C 680 58.967 58.967 59.591 -0.624 19514 135 1 1 . 1 1 680 680 TRP CB C 680 29.189 29.189 28.125 1.064 19514 136 1 1 . 1 1 680 680 TRP H H 680 7.542 7.542 8.178 -0.636 19514 137 1 1 . 1 1 681 681 TYR N N 681 116.232 116.232 117.424 -1.192 19514 138 1 1 . 1 1 681 681 TYR HA H 681 4.135 4.135 4.174 -0.039 19514 139 1 1 . 1 1 681 681 TYR C C 681 175.623 175.623 176.111 -0.488 19514 140 1 1 . 1 1 681 681 TYR CA C 681 59.749 59.749 55.373 4.376 19514 141 1 1 . 1 1 681 681 TYR CB C 681 39.096 39.096 37.919 1.177 19514 142 1 1 . 1 1 681 681 TYR H H 681 7.453 7.453 7.721 -0.268 19514 143 1 1 . 1 1 682 682 ILE N N 682 115.034 115.034 116.587 -1.553 19514 144 1 1 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.622 0.563 19514 145 1 1 . 1 1 682 682 ILE C C 682 174.299 174.299 176.632 -2.333 19514 146 1 1 . 1 1 682 682 ILE CA C 682 61.161 61.161 62.033 -0.872 19514 147 1 1 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.268 0.518 19514 148 1 1 . 1 1 682 682 ILE H H 682 7.477 7.477 8.126 -0.649 19514 149 1 2 . 1 1 658 658 LYS HA H 658 4.273 4.273 4.056 0.217 19514 150 1 2 . 1 1 658 658 LYS C C 658 175.560 175.560 175.330 0.230 19514 151 1 2 . 1 1 658 658 LYS CA C 658 56.733 56.733 56.917 -0.184 19514 152 1 2 . 1 1 658 658 LYS CB C 658 32.982 32.982 32.660 0.322 19514 153 1 2 . 1 1 659 659 ASP N N 659 121.529 121.529 119.102 2.427 19514 154 1 2 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.609 -0.023 19514 155 1 2 . 1 1 659 659 ASP C C 659 176.458 176.458 178.042 -1.584 19514 156 1 2 . 1 1 659 659 ASP CA C 659 54.219 54.219 54.679 -0.460 19514 157 1 2 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.469 -0.145 19514 158 1 2 . 1 1 659 659 ASP H H 659 8.329 8.329 8.274 0.055 19514 159 1 2 . 1 1 660 660 LEU N N 660 123.060 123.060 121.370 1.690 19514 160 1 2 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.328 -0.134 19514 161 1 2 . 1 1 660 660 LEU C C 660 177.101 177.101 177.631 -0.530 19514 162 1 2 . 1 1 660 660 LEU CA C 660 56.564 56.564 56.190 0.374 19514 163 1 2 . 1 1 660 660 LEU CB C 660 42.489 42.489 42.341 0.148 19514 164 1 2 . 1 1 660 660 LEU H H 660 8.490 8.490 8.634 -0.144 19514 165 1 2 . 1 1 661 661 LEU N N 661 118.573 118.573 119.411 -0.838 19514 166 1 2 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.390 -0.041 19514 167 1 2 . 1 1 661 661 LEU C C 661 176.328 176.328 176.070 0.258 19514 168 1 2 . 1 1 661 661 LEU CA C 661 54.819 54.819 54.079 0.740 19514 169 1 2 . 1 1 661 661 LEU CB C 661 41.778 41.778 40.070 1.708 19514 170 1 2 . 1 1 661 661 LEU H H 661 8.114 8.114 7.775 0.339 19514 171 1 2 . 1 1 662 662 ALA N N 662 122.836 122.836 122.757 0.079 19514 172 1 2 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.236 0.169 19514 173 1 2 . 1 1 662 662 ALA C C 662 177.949 177.949 178.528 -0.579 19514 174 1 2 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.517 -0.380 19514 175 1 2 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.594 0.829 19514 176 1 2 . 1 1 662 662 ALA H H 662 7.849 7.849 7.547 0.302 19514 177 1 2 . 1 1 663 663 LEU N N 663 121.289 121.289 125.913 -4.624 19514 178 1 2 . 1 1 663 663 LEU HA H 663 4.185 4.185 3.914 0.271 19514 179 1 2 . 1 1 663 663 LEU C C 663 177.903 177.903 178.443 -0.540 19514 180 1 2 . 1 1 663 663 LEU CA C 663 56.657 56.657 57.604 -0.947 19514 181 1 2 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.645 0.300 19514 182 1 2 . 1 1 663 663 LEU H H 663 8.302 8.302 8.716 -0.414 19514 183 1 2 . 1 1 664 664 ASP N N 664 118.100 118.100 118.408 -0.308 19514 184 1 2 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.513 -0.094 19514 185 1 2 . 1 1 664 664 ASP C C 664 177.559 177.559 177.890 -0.331 19514 186 1 2 . 1 1 664 664 ASP CA C 664 56.307 56.307 56.965 -0.658 19514 187 1 2 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.668 0.222 19514 188 1 2 . 1 1 664 664 ASP H H 664 8.437 8.437 8.490 -0.053 19514 189 1 2 . 1 1 665 665 SER N N 665 113.890 113.890 113.977 -0.087 19514 190 1 2 . 1 1 665 665 SER HA H 665 4.348 4.348 4.455 -0.107 19514 191 1 2 . 1 1 665 665 SER C C 665 175.610 175.610 176.778 -1.168 19514 192 1 2 . 1 1 665 665 SER CA C 665 59.988 59.988 59.461 0.527 19514 193 1 2 . 1 1 665 665 SER CB C 665 63.470 63.470 63.824 -0.353 19514 194 1 2 . 1 1 665 665 SER H H 665 7.894 7.894 8.059 -0.165 19514 195 1 2 . 1 1 666 666 TRP N N 666 122.515 122.515 123.696 -1.181 19514 196 1 2 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.179 0.301 19514 197 1 2 . 1 1 666 666 TRP C C 666 177.235 177.235 177.220 0.015 19514 198 1 2 . 1 1 666 666 TRP CA C 666 59.020 59.020 60.500 -1.480 19514 199 1 2 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.379 0.059 19514 200 1 2 . 1 1 666 666 TRP H H 666 8.038 8.038 8.385 -0.347 19514 201 1 2 . 1 1 667 667 LYS N N 667 118.444 118.444 118.614 -0.170 19514 202 1 2 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.955 -0.038 19514 203 1 2 . 1 1 667 667 LYS C C 667 177.985 177.985 178.584 -0.599 19514 204 1 2 . 1 1 667 667 LYS CA C 667 59.486 59.486 59.730 -0.244 19514 205 1 2 . 1 1 667 667 LYS CB C 667 32.300 32.300 31.902 0.398 19514 206 1 2 . 1 1 667 667 LYS H H 667 7.882 7.882 8.173 -0.291 19514 207 1 2 . 1 1 668 668 ASN N N 668 116.413 116.413 117.172 -0.759 19514 208 1 2 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.544 0.084 19514 209 1 2 . 1 1 668 668 ASN C C 668 177.013 177.013 177.293 -0.280 19514 210 1 2 . 1 1 668 668 ASN CA C 668 55.039 55.039 55.710 -0.671 19514 211 1 2 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.003 0.294 19514 212 1 2 . 1 1 668 668 ASN H H 668 8.045 8.045 7.633 0.412 19514 213 1 2 . 1 1 669 669 LEU N N 669 120.829 120.829 121.593 -0.764 19514 214 1 2 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.621 0.403 19514 215 1 2 . 1 1 669 669 LEU C C 669 177.559 177.559 178.277 -0.718 19514 216 1 2 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.806 0.135 19514 217 1 2 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.593 0.563 19514 218 1 2 . 1 1 669 669 LEU H H 669 7.804 7.804 7.592 0.212 19514 219 1 2 . 1 1 670 670 TRP N N 670 117.321 117.321 117.584 -0.263 19514 220 1 2 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.480 0.064 19514 221 1 2 . 1 1 670 670 TRP C C 670 177.194 177.194 177.704 -0.510 19514 222 1 2 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.796 0.207 19514 223 1 2 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.605 0.109 19514 224 1 2 . 1 1 670 670 TRP H H 670 7.887 7.887 7.878 0.009 19514 225 1 2 . 1 1 671 671 ASN N N 671 115.549 115.549 114.934 0.615 19514 226 1 2 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.804 -0.254 19514 227 1 2 . 1 1 671 671 ASN C C 671 176.520 176.520 176.545 -0.025 19514 228 1 2 . 1 1 671 671 ASN CA C 671 55.017 55.017 55.475 -0.458 19514 229 1 2 . 1 1 671 671 ASN CB C 671 38.658 38.658 39.218 -0.560 19514 230 1 2 . 1 1 671 671 ASN H H 671 7.968 7.968 7.886 0.082 19514 231 1 2 . 1 1 672 672 TRP N N 672 120.350 120.350 120.432 -0.082 19514 232 1 2 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.266 0.126 19514 233 1 2 . 1 1 672 672 TRP C C 672 176.592 176.592 177.752 -1.160 19514 234 1 2 . 1 1 672 672 TRP CA C 672 59.356 59.356 60.783 -1.427 19514 235 1 2 . 1 1 672 672 TRP CB C 672 29.446 29.446 29.212 0.234 19514 236 1 2 . 1 1 672 672 TRP H H 672 8.013 8.013 7.702 0.311 19514 237 1 2 . 1 1 673 673 PHE N N 673 117.559 117.559 117.243 0.316 19514 238 1 2 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.583 -0.324 19514 239 1 2 . 1 1 673 673 PHE C C 673 175.068 175.068 175.477 -0.409 19514 240 1 2 . 1 1 673 673 PHE CA C 673 58.863 58.863 58.860 0.003 19514 241 1 2 . 1 1 673 673 PHE CB C 673 39.298 39.298 36.778 2.520 19514 242 1 2 . 1 1 673 673 PHE H H 673 7.881 7.881 8.032 -0.151 19514 243 1 2 . 1 1 674 674 ASN N N 674 118.329 118.329 122.074 -3.745 19514 244 1 2 . 1 1 674 674 ASN HA H 674 4.569 4.569 5.043 -0.474 19514 245 1 2 . 1 1 674 674 ASN C C 674 175.956 175.956 176.037 -0.081 19514 246 1 2 . 1 1 674 674 ASN CA C 674 53.378 53.378 52.642 0.736 19514 247 1 2 . 1 1 674 674 ASN CB C 674 38.420 38.420 38.630 -0.210 19514 248 1 2 . 1 1 674 674 ASN H H 674 7.750 7.750 8.914 -1.164 19514 249 1 2 . 1 1 675 675 ILE N N 675 119.444 119.444 123.514 -4.070 19514 250 1 2 . 1 1 675 675 ILE HA H 675 3.727 3.727 1.558 2.169 19514 251 1 2 . 1 1 675 675 ILE C C 675 176.638 176.638 176.809 -0.171 19514 252 1 2 . 1 1 675 675 ILE CA C 675 63.104 63.104 64.281 -1.177 19514 253 1 2 . 1 1 675 675 ILE CB C 675 38.280 38.280 37.059 1.220 19514 254 1 2 . 1 1 675 675 ILE H H 675 8.015 8.015 7.947 0.068 19514 255 1 2 . 1 1 676 676 THR N N 676 114.109 114.109 115.138 -1.029 19514 256 1 2 . 1 1 676 676 THR HA H 676 3.913 3.913 3.804 0.109 19514 257 1 2 . 1 1 676 676 THR C C 676 175.587 175.587 176.368 -0.781 19514 258 1 2 . 1 1 676 676 THR CA C 676 65.121 65.121 66.459 -1.338 19514 259 1 2 . 1 1 676 676 THR CB C 676 68.794 68.794 68.184 0.610 19514 260 1 2 . 1 1 676 676 THR H H 676 7.889 7.889 8.192 -0.303 19514 261 1 2 . 1 1 677 677 ASN N N 677 118.858 118.858 119.633 -0.775 19514 262 1 2 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.552 0.028 19514 263 1 2 . 1 1 677 677 ASN C C 677 176.077 176.077 177.542 -1.465 19514 264 1 2 . 1 1 677 677 ASN CA C 677 54.605 54.605 56.091 -1.486 19514 265 1 2 . 1 1 677 677 ASN CB C 677 38.308 38.308 38.859 -0.551 19514 266 1 2 . 1 1 677 677 ASN H H 677 7.862 7.862 7.838 0.024 19514 267 1 2 . 1 1 678 678 TRP N N 678 119.189 119.189 118.281 0.908 19514 268 1 2 . 1 1 678 678 TRP HA H 678 4.617 4.617 4.888 -0.271 19514 269 1 2 . 1 1 678 678 TRP C C 678 176.898 176.898 177.925 -1.027 19514 270 1 2 . 1 1 678 678 TRP CA C 678 58.582 58.582 57.539 1.043 19514 271 1 2 . 1 1 678 678 TRP CB C 678 29.597 29.597 28.939 0.658 19514 272 1 2 . 1 1 678 678 TRP H H 678 7.795 7.795 7.544 0.251 19514 273 1 2 . 1 1 679 679 LEU N N 679 117.805 117.805 121.657 -3.852 19514 274 1 2 . 1 1 679 679 LEU HA H 679 4.023 4.023 4.199 -0.176 19514 275 1 2 . 1 1 679 679 LEU C C 679 177.463 177.463 178.983 -1.520 19514 276 1 2 . 1 1 679 679 LEU CA C 679 56.776 56.776 57.385 -0.609 19514 277 1 2 . 1 1 679 679 LEU CB C 679 41.775 41.775 41.234 0.541 19514 278 1 2 . 1 1 679 679 LEU H H 679 7.753 7.753 8.664 -0.911 19514 279 1 2 . 1 1 680 680 TRP N N 680 117.351 117.351 121.458 -4.107 19514 280 1 2 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.368 -0.036 19514 281 1 2 . 1 1 680 680 TRP C C 680 176.369 176.369 176.837 -0.468 19514 282 1 2 . 1 1 680 680 TRP CA C 680 58.967 58.967 59.668 -0.701 19514 283 1 2 . 1 1 680 680 TRP CB C 680 29.189 29.189 28.076 1.113 19514 284 1 2 . 1 1 680 680 TRP H H 680 7.542 7.542 8.137 -0.595 19514 285 1 2 . 1 1 681 681 TYR N N 681 116.232 116.232 118.515 -2.283 19514 286 1 2 . 1 1 681 681 TYR HA H 681 4.135 4.135 4.087 0.048 19514 287 1 2 . 1 1 681 681 TYR C C 681 175.623 175.623 176.047 -0.424 19514 288 1 2 . 1 1 681 681 TYR CA C 681 59.749 59.749 55.573 4.176 19514 289 1 2 . 1 1 681 681 TYR CB C 681 39.096 39.096 37.625 1.471 19514 290 1 2 . 1 1 681 681 TYR H H 681 7.453 7.453 7.842 -0.389 19514 291 1 2 . 1 1 682 682 ILE N N 682 115.034 115.034 118.087 -3.053 19514 292 1 2 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.625 0.560 19514 293 1 2 . 1 1 682 682 ILE C C 682 174.299 174.299 176.301 -2.002 19514 294 1 2 . 1 1 682 682 ILE CA C 682 61.161 61.161 61.995 -0.834 19514 295 1 2 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.184 0.602 19514 296 1 2 . 1 1 682 682 ILE H H 682 7.477 7.477 8.160 -0.683 19514 297 1 3 . 1 1 658 658 LYS HA H 658 4.273 4.273 4.601 -0.328 19514 298 1 3 . 1 1 658 658 LYS C C 658 175.560 175.560 175.624 -0.064 19514 299 1 3 . 1 1 658 658 LYS CA C 658 56.733 56.733 55.886 0.847 19514 300 1 3 . 1 1 658 658 LYS CB C 658 32.982 32.982 32.744 0.238 19514 301 1 3 . 1 1 659 659 ASP N N 659 121.529 121.529 120.839 0.690 19514 302 1 3 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.569 0.017 19514 303 1 3 . 1 1 659 659 ASP C C 659 176.458 176.458 177.657 -1.199 19514 304 1 3 . 1 1 659 659 ASP CA C 659 54.219 54.219 53.826 0.393 19514 305 1 3 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.729 -0.405 19514 306 1 3 . 1 1 659 659 ASP H H 659 8.329 8.329 7.980 0.349 19514 307 1 3 . 1 1 660 660 LEU N N 660 123.060 123.060 120.736 2.324 19514 308 1 3 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.376 -0.182 19514 309 1 3 . 1 1 660 660 LEU C C 660 177.101 177.101 177.431 -0.330 19514 310 1 3 . 1 1 660 660 LEU CA C 660 56.564 56.564 55.998 0.566 19514 311 1 3 . 1 1 660 660 LEU CB C 660 42.489 42.489 42.494 -0.005 19514 312 1 3 . 1 1 660 660 LEU H H 660 8.490 8.490 8.451 0.039 19514 313 1 3 . 1 1 661 661 LEU N N 661 118.573 118.573 119.521 -0.948 19514 314 1 3 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.415 -0.066 19514 315 1 3 . 1 1 661 661 LEU C C 661 176.328 176.328 176.038 0.290 19514 316 1 3 . 1 1 661 661 LEU CA C 661 54.819 54.819 54.119 0.700 19514 317 1 3 . 1 1 661 661 LEU CB C 661 41.778 41.778 40.168 1.610 19514 318 1 3 . 1 1 661 661 LEU H H 661 8.114 8.114 7.828 0.286 19514 319 1 3 . 1 1 662 662 ALA N N 662 122.836 122.836 123.008 -0.172 19514 320 1 3 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.210 0.195 19514 321 1 3 . 1 1 662 662 ALA C C 662 177.949 177.949 178.112 -0.163 19514 322 1 3 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.294 -0.157 19514 323 1 3 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.572 0.851 19514 324 1 3 . 1 1 662 662 ALA H H 662 7.849 7.849 7.705 0.144 19514 325 1 3 . 1 1 663 663 LEU N N 663 121.289 121.289 125.457 -4.168 19514 326 1 3 . 1 1 663 663 LEU HA H 663 4.185 4.185 3.884 0.301 19514 327 1 3 . 1 1 663 663 LEU C C 663 177.903 177.903 177.977 -0.074 19514 328 1 3 . 1 1 663 663 LEU CA C 663 56.657 56.657 57.759 -1.102 19514 329 1 3 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.751 0.194 19514 330 1 3 . 1 1 663 663 LEU H H 663 8.302 8.302 8.722 -0.420 19514 331 1 3 . 1 1 664 664 ASP N N 664 118.100 118.100 117.931 0.169 19514 332 1 3 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.536 -0.117 19514 333 1 3 . 1 1 664 664 ASP C C 664 177.559 177.559 177.844 -0.285 19514 334 1 3 . 1 1 664 664 ASP CA C 664 56.307 56.307 56.909 -0.602 19514 335 1 3 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.314 0.576 19514 336 1 3 . 1 1 664 664 ASP H H 664 8.437 8.437 8.575 -0.138 19514 337 1 3 . 1 1 665 665 SER N N 665 113.890 113.890 113.620 0.270 19514 338 1 3 . 1 1 665 665 SER HA H 665 4.348 4.348 4.462 -0.114 19514 339 1 3 . 1 1 665 665 SER C C 665 175.610 175.610 176.538 -0.928 19514 340 1 3 . 1 1 665 665 SER CA C 665 59.988 59.988 59.529 0.459 19514 341 1 3 . 1 1 665 665 SER CB C 665 63.470 63.470 63.779 -0.309 19514 342 1 3 . 1 1 665 665 SER H H 665 7.894 7.894 8.092 -0.198 19514 343 1 3 . 1 1 666 666 TRP N N 666 122.515 122.515 123.645 -1.130 19514 344 1 3 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.168 0.312 19514 345 1 3 . 1 1 666 666 TRP C C 666 177.235 177.235 177.081 0.154 19514 346 1 3 . 1 1 666 666 TRP CA C 666 59.020 59.020 60.629 -1.609 19514 347 1 3 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.356 0.082 19514 348 1 3 . 1 1 666 666 TRP H H 666 8.038 8.038 8.426 -0.388 19514 349 1 3 . 1 1 667 667 LYS N N 667 118.444 118.444 118.956 -0.512 19514 350 1 3 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.910 0.007 19514 351 1 3 . 1 1 667 667 LYS C C 667 177.985 177.985 178.317 -0.332 19514 352 1 3 . 1 1 667 667 LYS CA C 667 59.486 59.486 59.816 -0.330 19514 353 1 3 . 1 1 667 667 LYS CB C 667 32.300 32.300 32.144 0.156 19514 354 1 3 . 1 1 667 667 LYS H H 667 7.882 7.882 8.163 -0.281 19514 355 1 3 . 1 1 668 668 ASN N N 668 116.413 116.413 117.026 -0.613 19514 356 1 3 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.532 0.096 19514 357 1 3 . 1 1 668 668 ASN C C 668 177.013 177.013 177.258 -0.245 19514 358 1 3 . 1 1 668 668 ASN CA C 668 55.039 55.039 55.786 -0.747 19514 359 1 3 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.172 0.125 19514 360 1 3 . 1 1 668 668 ASN H H 668 8.045 8.045 7.642 0.403 19514 361 1 3 . 1 1 669 669 LEU N N 669 120.829 120.829 121.592 -0.763 19514 362 1 3 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.572 0.452 19514 363 1 3 . 1 1 669 669 LEU C C 669 177.559 177.559 178.135 -0.576 19514 364 1 3 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.705 0.236 19514 365 1 3 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.584 0.572 19514 366 1 3 . 1 1 669 669 LEU H H 669 7.804 7.804 7.617 0.187 19514 367 1 3 . 1 1 670 670 TRP N N 670 117.321 117.321 117.691 -0.370 19514 368 1 3 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.422 0.122 19514 369 1 3 . 1 1 670 670 TRP C C 670 177.194 177.194 177.647 -0.453 19514 370 1 3 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.722 0.281 19514 371 1 3 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.614 0.100 19514 372 1 3 . 1 1 670 670 TRP H H 670 7.887 7.887 7.863 0.024 19514 373 1 3 . 1 1 671 671 ASN N N 671 115.549 115.549 115.183 0.366 19514 374 1 3 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.950 -0.400 19514 375 1 3 . 1 1 671 671 ASN C C 671 176.520 176.520 176.903 -0.383 19514 376 1 3 . 1 1 671 671 ASN CA C 671 55.017 55.017 54.721 0.296 19514 377 1 3 . 1 1 671 671 ASN CB C 671 38.658 38.658 38.741 -0.083 19514 378 1 3 . 1 1 671 671 ASN H H 671 7.968 7.968 7.871 0.097 19514 379 1 3 . 1 1 672 672 TRP N N 672 120.350 120.350 121.364 -1.014 19514 380 1 3 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.256 0.136 19514 381 1 3 . 1 1 672 672 TRP C C 672 176.592 176.592 178.629 -2.037 19514 382 1 3 . 1 1 672 672 TRP CA C 672 59.356 59.356 60.942 -1.586 19514 383 1 3 . 1 1 672 672 TRP CB C 672 29.446 29.446 29.175 0.271 19514 384 1 3 . 1 1 672 672 TRP H H 672 8.013 8.013 7.722 0.291 19514 385 1 3 . 1 1 673 673 PHE N N 673 117.559 117.559 117.314 0.245 19514 386 1 3 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.551 -0.292 19514 387 1 3 . 1 1 673 673 PHE C C 673 175.068 175.068 175.101 -0.033 19514 388 1 3 . 1 1 673 673 PHE CA C 673 58.863 58.863 58.115 0.748 19514 389 1 3 . 1 1 673 673 PHE CB C 673 39.298 39.298 36.605 2.692 19514 390 1 3 . 1 1 673 673 PHE H H 673 7.881 7.881 7.910 -0.029 19514 391 1 3 . 1 1 674 674 ASN N N 674 118.329 118.329 121.634 -3.305 19514 392 1 3 . 1 1 674 674 ASN HA H 674 4.569 4.569 5.030 -0.461 19514 393 1 3 . 1 1 674 674 ASN C C 674 175.956 175.956 176.097 -0.141 19514 394 1 3 . 1 1 674 674 ASN CA C 674 53.378 53.378 52.562 0.816 19514 395 1 3 . 1 1 674 674 ASN CB C 674 38.420 38.420 39.167 -0.747 19514 396 1 3 . 1 1 674 674 ASN H H 674 7.750 7.750 8.534 -0.784 19514 397 1 3 . 1 1 675 675 ILE N N 675 119.444 119.444 125.006 -5.562 19514 398 1 3 . 1 1 675 675 ILE HA H 675 3.727 3.727 3.853 -0.126 19514 399 1 3 . 1 1 675 675 ILE C C 675 176.638 176.638 177.815 -1.177 19514 400 1 3 . 1 1 675 675 ILE CA C 675 63.104 63.104 64.574 -1.470 19514 401 1 3 . 1 1 675 675 ILE CB C 675 38.280 38.280 37.852 0.428 19514 402 1 3 . 1 1 675 675 ILE H H 675 8.015 8.015 8.237 -0.222 19514 403 1 3 . 1 1 676 676 THR N N 676 114.109 114.109 114.683 -0.574 19514 404 1 3 . 1 1 676 676 THR HA H 676 3.913 3.913 4.020 -0.107 19514 405 1 3 . 1 1 676 676 THR C C 676 175.587 175.587 176.224 -0.637 19514 406 1 3 . 1 1 676 676 THR CA C 676 65.121 65.121 65.657 -0.536 19514 407 1 3 . 1 1 676 676 THR CB C 676 68.794 68.794 68.460 0.334 19514 408 1 3 . 1 1 676 676 THR H H 676 7.889 7.889 8.497 -0.608 19514 409 1 3 . 1 1 677 677 ASN N N 677 118.858 118.858 118.818 0.040 19514 410 1 3 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.889 -0.309 19514 411 1 3 . 1 1 677 677 ASN C C 677 176.077 176.077 176.801 -0.724 19514 412 1 3 . 1 1 677 677 ASN CA C 677 54.605 54.605 55.624 -1.019 19514 413 1 3 . 1 1 677 677 ASN CB C 677 38.308 38.308 38.848 -0.540 19514 414 1 3 . 1 1 677 677 ASN H H 677 7.862 7.862 7.810 0.052 19514 415 1 3 . 1 1 678 678 TRP N N 678 119.189 119.189 120.923 -1.734 19514 416 1 3 . 1 1 678 678 TRP HA H 678 4.617 4.617 4.636 -0.019 19514 417 1 3 . 1 1 678 678 TRP C C 678 176.898 176.898 178.323 -1.425 19514 418 1 3 . 1 1 678 678 TRP CA C 678 58.582 58.582 61.285 -2.703 19514 419 1 3 . 1 1 678 678 TRP CB C 678 29.597 29.597 30.033 -0.436 19514 420 1 3 . 1 1 678 678 TRP H H 678 7.795 7.795 8.439 -0.644 19514 421 1 3 . 1 1 679 679 LEU N N 679 117.805 117.805 119.214 -1.409 19514 422 1 3 . 1 1 679 679 LEU HA H 679 4.023 4.023 4.157 -0.134 19514 423 1 3 . 1 1 679 679 LEU C C 679 177.463 177.463 178.845 -1.382 19514 424 1 3 . 1 1 679 679 LEU CA C 679 56.776 56.776 57.209 -0.433 19514 425 1 3 . 1 1 679 679 LEU CB C 679 41.775 41.775 41.202 0.573 19514 426 1 3 . 1 1 679 679 LEU H H 679 7.753 7.753 7.901 -0.148 19514 427 1 3 . 1 1 680 680 TRP N N 680 117.351 117.351 120.393 -3.042 19514 428 1 3 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.109 0.223 19514 429 1 3 . 1 1 680 680 TRP C C 680 176.369 176.369 177.306 -0.937 19514 430 1 3 . 1 1 680 680 TRP CA C 680 58.967 58.967 60.407 -1.440 19514 431 1 3 . 1 1 680 680 TRP CB C 680 29.189 29.189 28.838 0.351 19514 432 1 3 . 1 1 680 680 TRP H H 680 7.542 7.542 7.726 -0.184 19514 433 1 3 . 1 1 681 681 TYR N N 681 116.232 116.232 114.216 2.016 19514 434 1 3 . 1 1 681 681 TYR HA H 681 4.135 4.135 4.523 -0.388 19514 435 1 3 . 1 1 681 681 TYR C C 681 175.623 175.623 176.511 -0.888 19514 436 1 3 . 1 1 681 681 TYR CA C 681 59.749 59.749 59.625 0.124 19514 437 1 3 . 1 1 681 681 TYR CB C 681 39.096 39.096 38.456 0.640 19514 438 1 3 . 1 1 681 681 TYR H H 681 7.453 7.453 7.177 0.276 19514 439 1 3 . 1 1 682 682 ILE N N 682 115.034 115.034 115.618 -0.584 19514 440 1 3 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.246 -0.061 19514 441 1 3 . 1 1 682 682 ILE C C 682 174.299 174.299 176.078 -1.779 19514 442 1 3 . 1 1 682 682 ILE CA C 682 61.161 61.161 60.579 0.582 19514 443 1 3 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.447 0.339 19514 444 1 3 . 1 1 682 682 ILE H H 682 7.477 7.477 7.861 -0.384 19514 445 1 4 . 1 1 658 658 LYS HA H 658 4.273 4.273 4.493 -0.220 19514 446 1 4 . 1 1 658 658 LYS C C 658 175.560 175.560 175.362 0.198 19514 447 1 4 . 1 1 658 658 LYS CA C 658 56.733 56.733 55.877 0.856 19514 448 1 4 . 1 1 658 658 LYS CB C 658 32.982 32.982 33.133 -0.151 19514 449 1 4 . 1 1 659 659 ASP N N 659 121.529 121.529 120.428 1.101 19514 450 1 4 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.624 -0.038 19514 451 1 4 . 1 1 659 659 ASP C C 659 176.458 176.458 178.251 -1.793 19514 452 1 4 . 1 1 659 659 ASP CA C 659 54.219 54.219 54.205 0.014 19514 453 1 4 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.905 -0.581 19514 454 1 4 . 1 1 659 659 ASP H H 659 8.329 8.329 8.078 0.251 19514 455 1 4 . 1 1 660 660 LEU N N 660 123.060 123.060 120.836 2.224 19514 456 1 4 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.241 -0.047 19514 457 1 4 . 1 1 660 660 LEU C C 660 177.101 177.101 178.169 -1.068 19514 458 1 4 . 1 1 660 660 LEU CA C 660 56.564 56.564 56.554 0.010 19514 459 1 4 . 1 1 660 660 LEU CB C 660 42.489 42.489 42.330 0.159 19514 460 1 4 . 1 1 660 660 LEU H H 660 8.490 8.490 8.317 0.173 19514 461 1 4 . 1 1 661 661 LEU N N 661 118.573 118.573 119.110 -0.537 19514 462 1 4 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.445 -0.096 19514 463 1 4 . 1 1 661 661 LEU C C 661 176.328 176.328 176.221 0.107 19514 464 1 4 . 1 1 661 661 LEU CA C 661 54.819 54.819 54.350 0.469 19514 465 1 4 . 1 1 661 661 LEU CB C 661 41.778 41.778 39.933 1.845 19514 466 1 4 . 1 1 661 661 LEU H H 661 8.114 8.114 8.080 0.034 19514 467 1 4 . 1 1 662 662 ALA N N 662 122.836 122.836 122.815 0.021 19514 468 1 4 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.254 0.151 19514 469 1 4 . 1 1 662 662 ALA C C 662 177.949 177.949 178.684 -0.735 19514 470 1 4 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.526 -0.389 19514 471 1 4 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.599 0.824 19514 472 1 4 . 1 1 662 662 ALA H H 662 7.849 7.849 7.495 0.354 19514 473 1 4 . 1 1 663 663 LEU N N 663 121.289 121.289 124.644 -3.355 19514 474 1 4 . 1 1 663 663 LEU HA H 663 4.185 4.185 4.005 0.180 19514 475 1 4 . 1 1 663 663 LEU C C 663 177.903 177.903 178.418 -0.515 19514 476 1 4 . 1 1 663 663 LEU CA C 663 56.657 56.657 58.044 -1.387 19514 477 1 4 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.393 0.552 19514 478 1 4 . 1 1 663 663 LEU H H 663 8.302 8.302 8.364 -0.062 19514 479 1 4 . 1 1 664 664 ASP N N 664 118.100 118.100 118.578 -0.478 19514 480 1 4 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.529 -0.110 19514 481 1 4 . 1 1 664 664 ASP C C 664 177.559 177.559 178.041 -0.482 19514 482 1 4 . 1 1 664 664 ASP CA C 664 56.307 56.307 56.814 -0.507 19514 483 1 4 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.547 0.343 19514 484 1 4 . 1 1 664 664 ASP H H 664 8.437 8.437 8.631 -0.194 19514 485 1 4 . 1 1 665 665 SER N N 665 113.890 113.890 114.409 -0.519 19514 486 1 4 . 1 1 665 665 SER HA H 665 4.348 4.348 4.504 -0.156 19514 487 1 4 . 1 1 665 665 SER C C 665 175.610 175.610 176.200 -0.590 19514 488 1 4 . 1 1 665 665 SER CA C 665 59.988 59.988 60.477 -0.489 19514 489 1 4 . 1 1 665 665 SER CB C 665 63.470 63.470 63.883 -0.413 19514 490 1 4 . 1 1 665 665 SER H H 665 7.894 7.894 8.162 -0.268 19514 491 1 4 . 1 1 666 666 TRP N N 666 122.515 122.515 124.008 -1.493 19514 492 1 4 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.048 0.432 19514 493 1 4 . 1 1 666 666 TRP C C 666 177.235 177.235 177.383 -0.148 19514 494 1 4 . 1 1 666 666 TRP CA C 666 59.020 59.020 61.042 -2.022 19514 495 1 4 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.202 0.236 19514 496 1 4 . 1 1 666 666 TRP H H 666 8.038 8.038 8.592 -0.554 19514 497 1 4 . 1 1 667 667 LYS N N 667 118.444 118.444 118.549 -0.105 19514 498 1 4 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.956 -0.039 19514 499 1 4 . 1 1 667 667 LYS C C 667 177.985 177.985 178.626 -0.641 19514 500 1 4 . 1 1 667 667 LYS CA C 667 59.486 59.486 59.671 -0.185 19514 501 1 4 . 1 1 667 667 LYS CB C 667 32.300 32.300 31.872 0.428 19514 502 1 4 . 1 1 667 667 LYS H H 667 7.882 7.882 8.163 -0.281 19514 503 1 4 . 1 1 668 668 ASN N N 668 116.413 116.413 117.239 -0.826 19514 504 1 4 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.549 0.079 19514 505 1 4 . 1 1 668 668 ASN C C 668 177.013 177.013 177.307 -0.294 19514 506 1 4 . 1 1 668 668 ASN CA C 668 55.039 55.039 55.706 -0.667 19514 507 1 4 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.030 0.267 19514 508 1 4 . 1 1 668 668 ASN H H 668 8.045 8.045 7.648 0.397 19514 509 1 4 . 1 1 669 669 LEU N N 669 120.829 120.829 121.605 -0.776 19514 510 1 4 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.643 0.381 19514 511 1 4 . 1 1 669 669 LEU C C 669 177.559 177.559 178.272 -0.713 19514 512 1 4 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.801 0.140 19514 513 1 4 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.598 0.558 19514 514 1 4 . 1 1 669 669 LEU H H 669 7.804 7.804 7.592 0.212 19514 515 1 4 . 1 1 670 670 TRP N N 670 117.321 117.321 117.584 -0.263 19514 516 1 4 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.467 0.077 19514 517 1 4 . 1 1 670 670 TRP C C 670 177.194 177.194 177.866 -0.672 19514 518 1 4 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.865 0.138 19514 519 1 4 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.610 0.104 19514 520 1 4 . 1 1 670 670 TRP H H 670 7.887 7.887 7.861 0.026 19514 521 1 4 . 1 1 671 671 ASN N N 671 115.549 115.549 115.579 -0.030 19514 522 1 4 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.768 -0.218 19514 523 1 4 . 1 1 671 671 ASN C C 671 176.520 176.520 176.770 -0.250 19514 524 1 4 . 1 1 671 671 ASN CA C 671 55.017 55.017 55.257 -0.240 19514 525 1 4 . 1 1 671 671 ASN CB C 671 38.658 38.658 39.338 -0.680 19514 526 1 4 . 1 1 671 671 ASN H H 671 7.968 7.968 7.880 0.088 19514 527 1 4 . 1 1 672 672 TRP N N 672 120.350 120.350 120.489 -0.139 19514 528 1 4 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.235 0.157 19514 529 1 4 . 1 1 672 672 TRP C C 672 176.592 176.592 177.887 -1.295 19514 530 1 4 . 1 1 672 672 TRP CA C 672 59.356 59.356 60.826 -1.470 19514 531 1 4 . 1 1 672 672 TRP CB C 672 29.446 29.446 29.261 0.185 19514 532 1 4 . 1 1 672 672 TRP H H 672 8.013 8.013 7.680 0.333 19514 533 1 4 . 1 1 673 673 PHE N N 673 117.559 117.559 117.308 0.251 19514 534 1 4 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.613 -0.354 19514 535 1 4 . 1 1 673 673 PHE C C 673 175.068 175.068 175.241 -0.173 19514 536 1 4 . 1 1 673 673 PHE CA C 673 58.863 58.863 58.407 0.456 19514 537 1 4 . 1 1 673 673 PHE CB C 673 39.298 39.298 36.838 2.460 19514 538 1 4 . 1 1 673 673 PHE H H 673 7.881 7.881 7.992 -0.111 19514 539 1 4 . 1 1 674 674 ASN N N 674 118.329 118.329 122.094 -3.765 19514 540 1 4 . 1 1 674 674 ASN HA H 674 4.569 4.569 5.029 -0.460 19514 541 1 4 . 1 1 674 674 ASN C C 674 175.956 175.956 176.656 -0.700 19514 542 1 4 . 1 1 674 674 ASN CA C 674 53.378 53.378 52.600 0.778 19514 543 1 4 . 1 1 674 674 ASN CB C 674 38.420 38.420 39.300 -0.881 19514 544 1 4 . 1 1 674 674 ASN H H 674 7.750 7.750 8.355 -0.605 19514 545 1 4 . 1 1 675 675 ILE N N 675 119.444 119.444 121.855 -2.411 19514 546 1 4 . 1 1 675 675 ILE HA H 675 3.727 3.727 2.359 1.368 19514 547 1 4 . 1 1 675 675 ILE C C 675 176.638 176.638 176.737 -0.099 19514 548 1 4 . 1 1 675 675 ILE CA C 675 63.104 63.104 64.758 -1.655 19514 549 1 4 . 1 1 675 675 ILE CB C 675 38.280 38.280 37.313 0.966 19514 550 1 4 . 1 1 675 675 ILE H H 675 8.015 8.015 8.022 -0.007 19514 551 1 4 . 1 1 676 676 THR N N 676 114.109 114.109 113.510 0.599 19514 552 1 4 . 1 1 676 676 THR HA H 676 3.913 3.913 3.844 0.069 19514 553 1 4 . 1 1 676 676 THR C C 676 175.587 175.587 176.364 -0.777 19514 554 1 4 . 1 1 676 676 THR CA C 676 65.121 65.121 65.513 -0.392 19514 555 1 4 . 1 1 676 676 THR CB C 676 68.794 68.794 68.362 0.432 19514 556 1 4 . 1 1 676 676 THR H H 676 7.889 7.889 8.108 -0.219 19514 557 1 4 . 1 1 677 677 ASN N N 677 118.858 118.858 119.347 -0.489 19514 558 1 4 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.564 0.016 19514 559 1 4 . 1 1 677 677 ASN C C 677 176.077 176.077 177.485 -1.408 19514 560 1 4 . 1 1 677 677 ASN CA C 677 54.605 54.605 56.051 -1.446 19514 561 1 4 . 1 1 677 677 ASN CB C 677 38.308 38.308 39.141 -0.833 19514 562 1 4 . 1 1 677 677 ASN H H 677 7.862 7.862 8.290 -0.428 19514 563 1 4 . 1 1 678 678 TRP N N 678 119.189 119.189 118.124 1.065 19514 564 1 4 . 1 1 678 678 TRP HA H 678 4.617 4.617 5.115 -0.498 19514 565 1 4 . 1 1 678 678 TRP C C 678 176.898 176.898 178.248 -1.350 19514 566 1 4 . 1 1 678 678 TRP CA C 678 58.582 58.582 58.119 0.463 19514 567 1 4 . 1 1 678 678 TRP CB C 678 29.597 29.597 29.273 0.324 19514 568 1 4 . 1 1 678 678 TRP H H 678 7.795 7.795 7.608 0.187 19514 569 1 4 . 1 1 679 679 LEU N N 679 117.805 117.805 121.679 -3.874 19514 570 1 4 . 1 1 679 679 LEU HA H 679 4.023 4.023 3.955 0.068 19514 571 1 4 . 1 1 679 679 LEU C C 679 177.463 177.463 179.193 -1.730 19514 572 1 4 . 1 1 679 679 LEU CA C 679 56.776 56.776 57.135 -0.359 19514 573 1 4 . 1 1 679 679 LEU CB C 679 41.775 41.775 41.265 0.510 19514 574 1 4 . 1 1 679 679 LEU H H 679 7.753 7.753 8.532 -0.779 19514 575 1 4 . 1 1 680 680 TRP N N 680 117.351 117.351 121.058 -3.707 19514 576 1 4 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.359 -0.027 19514 577 1 4 . 1 1 680 680 TRP C C 680 176.369 176.369 176.764 -0.395 19514 578 1 4 . 1 1 680 680 TRP CA C 680 58.967 58.967 59.829 -0.862 19514 579 1 4 . 1 1 680 680 TRP CB C 680 29.189 29.189 28.132 1.057 19514 580 1 4 . 1 1 680 680 TRP H H 680 7.542 7.542 8.135 -0.593 19514 581 1 4 . 1 1 681 681 TYR N N 681 116.232 116.232 119.914 -3.682 19514 582 1 4 . 1 1 681 681 TYR HA H 681 4.135 4.135 3.942 0.193 19514 583 1 4 . 1 1 681 681 TYR C C 681 175.623 175.623 174.973 0.650 19514 584 1 4 . 1 1 681 681 TYR CA C 681 59.749 59.749 58.285 1.464 19514 585 1 4 . 1 1 681 681 TYR CB C 681 39.096 39.096 39.121 -0.025 19514 586 1 4 . 1 1 681 681 TYR H H 681 7.453 7.453 7.621 -0.168 19514 587 1 4 . 1 1 682 682 ILE N N 682 115.034 115.034 115.330 -0.296 19514 588 1 4 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.753 0.432 19514 589 1 4 . 1 1 682 682 ILE C C 682 174.299 174.299 175.485 -1.186 19514 590 1 4 . 1 1 682 682 ILE CA C 682 61.161 61.161 60.220 0.941 19514 591 1 4 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.148 0.638 19514 592 1 4 . 1 1 682 682 ILE H H 682 7.477 7.477 7.397 0.080 19514 593 1 5 . 1 1 658 658 LYS HA H 658 4.273 4.273 4.522 -0.249 19514 594 1 5 . 1 1 658 658 LYS C C 658 175.560 175.560 175.248 0.312 19514 595 1 5 . 1 1 658 658 LYS CA C 658 56.733 56.733 55.758 0.975 19514 596 1 5 . 1 1 658 658 LYS CB C 658 32.982 32.982 33.983 -1.001 19514 597 1 5 . 1 1 659 659 ASP N N 659 121.529 121.529 120.168 1.361 19514 598 1 5 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.565 0.021 19514 599 1 5 . 1 1 659 659 ASP C C 659 176.458 176.458 176.807 -0.349 19514 600 1 5 . 1 1 659 659 ASP CA C 659 54.219 54.219 54.390 -0.171 19514 601 1 5 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.563 -0.239 19514 602 1 5 . 1 1 659 659 ASP H H 659 8.329 8.329 8.232 0.097 19514 603 1 5 . 1 1 660 660 LEU N N 660 123.060 123.060 118.336 4.724 19514 604 1 5 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.378 -0.184 19514 605 1 5 . 1 1 660 660 LEU C C 660 177.101 177.101 177.994 -0.893 19514 606 1 5 . 1 1 660 660 LEU CA C 660 56.564 56.564 56.065 0.499 19514 607 1 5 . 1 1 660 660 LEU CB C 660 42.489 42.489 42.546 -0.057 19514 608 1 5 . 1 1 660 660 LEU H H 660 8.490 8.490 8.247 0.243 19514 609 1 5 . 1 1 661 661 LEU N N 661 118.573 118.573 119.162 -0.589 19514 610 1 5 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.585 -0.236 19514 611 1 5 . 1 1 661 661 LEU C C 661 176.328 176.328 176.071 0.257 19514 612 1 5 . 1 1 661 661 LEU CA C 661 54.819 54.819 53.985 0.834 19514 613 1 5 . 1 1 661 661 LEU CB C 661 41.778 41.778 41.317 0.461 19514 614 1 5 . 1 1 661 661 LEU H H 661 8.114 8.114 7.906 0.208 19514 615 1 5 . 1 1 662 662 ALA N N 662 122.836 122.836 122.277 0.559 19514 616 1 5 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.229 0.176 19514 617 1 5 . 1 1 662 662 ALA C C 662 177.949 177.949 178.654 -0.705 19514 618 1 5 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.357 -0.220 19514 619 1 5 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.844 0.579 19514 620 1 5 . 1 1 662 662 ALA H H 662 7.849 7.849 7.611 0.238 19514 621 1 5 . 1 1 663 663 LEU N N 663 121.289 121.289 126.388 -5.099 19514 622 1 5 . 1 1 663 663 LEU HA H 663 4.185 4.185 4.017 0.168 19514 623 1 5 . 1 1 663 663 LEU C C 663 177.903 177.903 178.298 -0.395 19514 624 1 5 . 1 1 663 663 LEU CA C 663 56.657 56.657 57.837 -1.180 19514 625 1 5 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.652 0.293 19514 626 1 5 . 1 1 663 663 LEU H H 663 8.302 8.302 8.998 -0.696 19514 627 1 5 . 1 1 664 664 ASP N N 664 118.100 118.100 118.516 -0.416 19514 628 1 5 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.466 -0.047 19514 629 1 5 . 1 1 664 664 ASP C C 664 177.559 177.559 178.052 -0.493 19514 630 1 5 . 1 1 664 664 ASP CA C 664 56.307 56.307 57.156 -0.849 19514 631 1 5 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.307 0.583 19514 632 1 5 . 1 1 664 664 ASP H H 664 8.437 8.437 8.608 -0.171 19514 633 1 5 . 1 1 665 665 SER N N 665 113.890 113.890 114.080 -0.190 19514 634 1 5 . 1 1 665 665 SER HA H 665 4.348 4.348 4.432 -0.084 19514 635 1 5 . 1 1 665 665 SER C C 665 175.610 175.610 175.922 -0.312 19514 636 1 5 . 1 1 665 665 SER CA C 665 59.988 59.988 59.701 0.287 19514 637 1 5 . 1 1 665 665 SER CB C 665 63.470 63.470 63.938 -0.468 19514 638 1 5 . 1 1 665 665 SER H H 665 7.894 7.894 8.323 -0.429 19514 639 1 5 . 1 1 666 666 TRP N N 666 122.515 122.515 122.368 0.147 19514 640 1 5 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.141 0.339 19514 641 1 5 . 1 1 666 666 TRP C C 666 177.235 177.235 177.325 -0.090 19514 642 1 5 . 1 1 666 666 TRP CA C 666 59.020 59.020 59.907 -0.887 19514 643 1 5 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.585 -0.147 19514 644 1 5 . 1 1 666 666 TRP H H 666 8.038 8.038 8.142 -0.104 19514 645 1 5 . 1 1 667 667 LYS N N 667 118.444 118.444 119.104 -0.660 19514 646 1 5 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.948 -0.031 19514 647 1 5 . 1 1 667 667 LYS C C 667 177.985 177.985 178.388 -0.403 19514 648 1 5 . 1 1 667 667 LYS CA C 667 59.486 59.486 60.026 -0.541 19514 649 1 5 . 1 1 667 667 LYS CB C 667 32.300 32.300 32.002 0.298 19514 650 1 5 . 1 1 667 667 LYS H H 667 7.882 7.882 8.781 -0.899 19514 651 1 5 . 1 1 668 668 ASN N N 668 116.413 116.413 116.801 -0.388 19514 652 1 5 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.517 0.111 19514 653 1 5 . 1 1 668 668 ASN C C 668 177.013 177.013 177.343 -0.330 19514 654 1 5 . 1 1 668 668 ASN CA C 668 55.039 55.039 55.727 -0.688 19514 655 1 5 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.055 0.242 19514 656 1 5 . 1 1 668 668 ASN H H 668 8.045 8.045 7.600 0.445 19514 657 1 5 . 1 1 669 669 LEU N N 669 120.829 120.829 121.436 -0.607 19514 658 1 5 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.525 0.499 19514 659 1 5 . 1 1 669 669 LEU C C 669 177.559 177.559 178.085 -0.526 19514 660 1 5 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.607 0.334 19514 661 1 5 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.621 0.535 19514 662 1 5 . 1 1 669 669 LEU H H 669 7.804 7.804 7.548 0.256 19514 663 1 5 . 1 1 670 670 TRP N N 670 117.321 117.321 117.454 -0.133 19514 664 1 5 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.464 0.080 19514 665 1 5 . 1 1 670 670 TRP C C 670 177.194 177.194 177.720 -0.526 19514 666 1 5 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.801 0.202 19514 667 1 5 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.633 0.081 19514 668 1 5 . 1 1 670 670 TRP H H 670 7.887 7.887 8.038 -0.151 19514 669 1 5 . 1 1 671 671 ASN N N 671 115.549 115.549 115.183 0.366 19514 670 1 5 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.779 -0.229 19514 671 1 5 . 1 1 671 671 ASN C C 671 176.520 176.520 176.822 -0.302 19514 672 1 5 . 1 1 671 671 ASN CA C 671 55.017 55.017 54.721 0.296 19514 673 1 5 . 1 1 671 671 ASN CB C 671 38.658 38.658 38.887 -0.229 19514 674 1 5 . 1 1 671 671 ASN H H 671 7.968 7.968 7.870 0.098 19514 675 1 5 . 1 1 672 672 TRP N N 672 120.350 120.350 120.452 -0.102 19514 676 1 5 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.193 0.199 19514 677 1 5 . 1 1 672 672 TRP C C 672 176.592 176.592 177.224 -0.632 19514 678 1 5 . 1 1 672 672 TRP CA C 672 59.356 59.356 61.003 -1.647 19514 679 1 5 . 1 1 672 672 TRP CB C 672 29.446 29.446 28.890 0.556 19514 680 1 5 . 1 1 672 672 TRP H H 672 8.013 8.013 7.512 0.501 19514 681 1 5 . 1 1 673 673 PHE N N 673 117.559 117.559 117.183 0.376 19514 682 1 5 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.482 -0.223 19514 683 1 5 . 1 1 673 673 PHE C C 673 175.068 175.068 176.040 -0.972 19514 684 1 5 . 1 1 673 673 PHE CA C 673 58.863 58.863 58.213 0.650 19514 685 1 5 . 1 1 673 673 PHE CB C 673 39.298 39.298 36.695 2.603 19514 686 1 5 . 1 1 673 673 PHE H H 673 7.881 7.881 7.637 0.244 19514 687 1 5 . 1 1 674 674 ASN N N 674 118.329 118.329 124.302 -5.973 19514 688 1 5 . 1 1 674 674 ASN HA H 674 4.569 4.569 4.948 -0.379 19514 689 1 5 . 1 1 674 674 ASN C C 674 175.956 175.956 176.026 -0.070 19514 690 1 5 . 1 1 674 674 ASN CA C 674 53.378 53.378 52.934 0.444 19514 691 1 5 . 1 1 674 674 ASN CB C 674 38.420 38.420 37.626 0.794 19514 692 1 5 . 1 1 674 674 ASN H H 674 7.750 7.750 8.712 -0.962 19514 693 1 5 . 1 1 675 675 ILE N N 675 119.444 119.444 122.422 -2.978 19514 694 1 5 . 1 1 675 675 ILE HA H 675 3.727 3.727 3.768 -0.040 19514 695 1 5 . 1 1 675 675 ILE C C 675 176.638 176.638 177.237 -0.599 19514 696 1 5 . 1 1 675 675 ILE CA C 675 63.104 63.104 64.815 -1.711 19514 697 1 5 . 1 1 675 675 ILE CB C 675 38.280 38.280 37.769 0.511 19514 698 1 5 . 1 1 675 675 ILE H H 675 8.015 8.015 7.858 0.157 19514 699 1 5 . 1 1 676 676 THR N N 676 114.109 114.109 114.099 0.010 19514 700 1 5 . 1 1 676 676 THR HA H 676 3.913 3.913 3.983 -0.070 19514 701 1 5 . 1 1 676 676 THR C C 676 175.587 175.587 176.190 -0.603 19514 702 1 5 . 1 1 676 676 THR CA C 676 65.121 65.121 65.923 -0.802 19514 703 1 5 . 1 1 676 676 THR CB C 676 68.794 68.794 68.085 0.709 19514 704 1 5 . 1 1 676 676 THR H H 676 7.889 7.889 8.606 -0.717 19514 705 1 5 . 1 1 677 677 ASN N N 677 118.858 118.858 118.137 0.721 19514 706 1 5 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.940 -0.360 19514 707 1 5 . 1 1 677 677 ASN C C 677 176.077 176.077 177.587 -1.510 19514 708 1 5 . 1 1 677 677 ASN CA C 677 54.605 54.605 55.057 -0.452 19514 709 1 5 . 1 1 677 677 ASN CB C 677 38.308 38.308 38.722 -0.414 19514 710 1 5 . 1 1 677 677 ASN H H 677 7.862 7.862 7.804 0.058 19514 711 1 5 . 1 1 678 678 TRP N N 678 119.189 119.189 122.501 -3.312 19514 712 1 5 . 1 1 678 678 TRP HA H 678 4.617 4.617 4.667 -0.050 19514 713 1 5 . 1 1 678 678 TRP C C 678 176.898 176.898 178.162 -1.264 19514 714 1 5 . 1 1 678 678 TRP CA C 678 58.582 58.582 61.233 -2.651 19514 715 1 5 . 1 1 678 678 TRP CB C 678 29.597 29.597 29.899 -0.302 19514 716 1 5 . 1 1 678 678 TRP H H 678 7.795 7.795 8.433 -0.638 19514 717 1 5 . 1 1 679 679 LEU N N 679 117.805 117.805 119.162 -1.357 19514 718 1 5 . 1 1 679 679 LEU HA H 679 4.023 4.023 4.163 -0.140 19514 719 1 5 . 1 1 679 679 LEU C C 679 177.463 177.463 178.081 -0.618 19514 720 1 5 . 1 1 679 679 LEU CA C 679 56.776 56.776 57.022 -0.246 19514 721 1 5 . 1 1 679 679 LEU CB C 679 41.775 41.775 40.979 0.796 19514 722 1 5 . 1 1 679 679 LEU H H 679 7.753 7.753 7.989 -0.236 19514 723 1 5 . 1 1 680 680 TRP N N 680 117.351 117.351 120.072 -2.721 19514 724 1 5 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.176 0.156 19514 725 1 5 . 1 1 680 680 TRP C C 680 176.369 176.369 177.874 -1.505 19514 726 1 5 . 1 1 680 680 TRP CA C 680 58.967 58.967 60.818 -1.851 19514 727 1 5 . 1 1 680 680 TRP CB C 680 29.189 29.189 28.948 0.241 19514 728 1 5 . 1 1 680 680 TRP H H 680 7.542 7.542 7.648 -0.106 19514 729 1 5 . 1 1 681 681 TYR N N 681 116.232 116.232 115.238 0.994 19514 730 1 5 . 1 1 681 681 TYR HA H 681 4.135 4.135 4.419 -0.284 19514 731 1 5 . 1 1 681 681 TYR C C 681 175.623 175.623 177.067 -1.444 19514 732 1 5 . 1 1 681 681 TYR CA C 681 59.749 59.749 60.266 -0.517 19514 733 1 5 . 1 1 681 681 TYR CB C 681 39.096 39.096 38.421 0.675 19514 734 1 5 . 1 1 681 681 TYR H H 681 7.453 7.453 7.228 0.225 19514 735 1 5 . 1 1 682 682 ILE N N 682 115.034 115.034 113.420 1.614 19514 736 1 5 . 1 1 682 682 ILE HA H 682 4.185 4.185 4.478 -0.293 19514 737 1 5 . 1 1 682 682 ILE C C 682 174.299 174.299 176.213 -1.914 19514 738 1 5 . 1 1 682 682 ILE CA C 682 61.161 61.161 60.687 0.474 19514 739 1 5 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.875 -0.089 19514 740 1 5 . 1 1 682 682 ILE H H 682 7.477 7.477 7.795 -0.318 19514 741 1 6 . 1 1 658 658 LYS HA H 658 4.273 4.273 4.541 -0.268 19514 742 1 6 . 1 1 658 658 LYS C C 658 175.560 175.560 175.394 0.166 19514 743 1 6 . 1 1 658 658 LYS CA C 658 56.733 56.733 56.467 0.267 19514 744 1 6 . 1 1 658 658 LYS CB C 658 32.982 32.982 33.161 -0.179 19514 745 1 6 . 1 1 659 659 ASP N N 659 121.529 121.529 122.537 -1.008 19514 746 1 6 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.587 -0.001 19514 747 1 6 . 1 1 659 659 ASP C C 659 176.458 176.458 178.361 -1.903 19514 748 1 6 . 1 1 659 659 ASP CA C 659 54.219 54.219 54.225 -0.006 19514 749 1 6 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.673 -0.349 19514 750 1 6 . 1 1 659 659 ASP H H 659 8.329 8.329 8.383 -0.054 19514 751 1 6 . 1 1 660 660 LEU N N 660 123.060 123.060 121.168 1.892 19514 752 1 6 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.277 -0.083 19514 753 1 6 . 1 1 660 660 LEU C C 660 177.101 177.101 177.789 -0.688 19514 754 1 6 . 1 1 660 660 LEU CA C 660 56.564 56.564 56.152 0.412 19514 755 1 6 . 1 1 660 660 LEU CB C 660 42.489 42.489 42.348 0.141 19514 756 1 6 . 1 1 660 660 LEU H H 660 8.490 8.490 8.276 0.214 19514 757 1 6 . 1 1 661 661 LEU N N 661 118.573 118.573 119.406 -0.833 19514 758 1 6 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.418 -0.069 19514 759 1 6 . 1 1 661 661 LEU C C 661 176.328 176.328 176.152 0.176 19514 760 1 6 . 1 1 661 661 LEU CA C 661 54.819 54.819 54.196 0.624 19514 761 1 6 . 1 1 661 661 LEU CB C 661 41.778 41.778 39.859 1.919 19514 762 1 6 . 1 1 661 661 LEU H H 661 8.114 8.114 8.069 0.045 19514 763 1 6 . 1 1 662 662 ALA N N 662 122.836 122.836 123.058 -0.222 19514 764 1 6 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.209 0.196 19514 765 1 6 . 1 1 662 662 ALA C C 662 177.949 177.949 178.142 -0.193 19514 766 1 6 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.367 -0.230 19514 767 1 6 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.588 0.835 19514 768 1 6 . 1 1 662 662 ALA H H 662 7.849 7.849 7.551 0.298 19514 769 1 6 . 1 1 663 663 LEU N N 663 121.289 121.289 125.808 -4.519 19514 770 1 6 . 1 1 663 663 LEU HA H 663 4.185 4.185 3.892 0.293 19514 771 1 6 . 1 1 663 663 LEU C C 663 177.903 177.903 178.062 -0.159 19514 772 1 6 . 1 1 663 663 LEU CA C 663 56.657 56.657 57.730 -1.073 19514 773 1 6 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.596 0.349 19514 774 1 6 . 1 1 663 663 LEU H H 663 8.302 8.302 8.717 -0.415 19514 775 1 6 . 1 1 664 664 ASP N N 664 118.100 118.100 118.076 0.024 19514 776 1 6 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.502 -0.083 19514 777 1 6 . 1 1 664 664 ASP C C 664 177.559 177.559 177.960 -0.401 19514 778 1 6 . 1 1 664 664 ASP CA C 664 56.307 56.307 57.054 -0.747 19514 779 1 6 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.322 0.568 19514 780 1 6 . 1 1 664 664 ASP H H 664 8.437 8.437 8.572 -0.135 19514 781 1 6 . 1 1 665 665 SER N N 665 113.890 113.890 113.982 -0.092 19514 782 1 6 . 1 1 665 665 SER HA H 665 4.348 4.348 4.460 -0.112 19514 783 1 6 . 1 1 665 665 SER C C 665 175.610 175.610 176.579 -0.969 19514 784 1 6 . 1 1 665 665 SER CA C 665 59.988 59.988 59.500 0.488 19514 785 1 6 . 1 1 665 665 SER CB C 665 63.470 63.470 63.823 -0.353 19514 786 1 6 . 1 1 665 665 SER H H 665 7.894 7.894 8.125 -0.231 19514 787 1 6 . 1 1 666 666 TRP N N 666 122.515 122.515 123.890 -1.375 19514 788 1 6 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.072 0.408 19514 789 1 6 . 1 1 666 666 TRP C C 666 177.235 177.235 177.416 -0.181 19514 790 1 6 . 1 1 666 666 TRP CA C 666 59.020 59.020 60.928 -1.908 19514 791 1 6 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.266 0.172 19514 792 1 6 . 1 1 666 666 TRP H H 666 8.038 8.038 8.569 -0.531 19514 793 1 6 . 1 1 667 667 LYS N N 667 118.444 118.444 118.786 -0.342 19514 794 1 6 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.945 -0.028 19514 795 1 6 . 1 1 667 667 LYS C C 667 177.985 177.985 178.821 -0.836 19514 796 1 6 . 1 1 667 667 LYS CA C 667 59.486 59.486 59.834 -0.348 19514 797 1 6 . 1 1 667 667 LYS CB C 667 32.300 32.300 31.987 0.313 19514 798 1 6 . 1 1 667 667 LYS H H 667 7.882 7.882 8.069 -0.187 19514 799 1 6 . 1 1 668 668 ASN N N 668 116.413 116.413 117.951 -1.538 19514 800 1 6 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.518 0.110 19514 801 1 6 . 1 1 668 668 ASN C C 668 177.013 177.013 177.414 -0.401 19514 802 1 6 . 1 1 668 668 ASN CA C 668 55.039 55.039 55.819 -0.780 19514 803 1 6 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.278 0.019 19514 804 1 6 . 1 1 668 668 ASN H H 668 8.045 8.045 7.541 0.504 19514 805 1 6 . 1 1 669 669 LEU N N 669 120.829 120.829 121.821 -0.992 19514 806 1 6 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.428 0.596 19514 807 1 6 . 1 1 669 669 LEU C C 669 177.559 177.559 177.958 -0.399 19514 808 1 6 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.765 0.176 19514 809 1 6 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.519 0.637 19514 810 1 6 . 1 1 669 669 LEU H H 669 7.804 7.804 7.536 0.268 19514 811 1 6 . 1 1 670 670 TRP N N 670 117.321 117.321 117.408 -0.087 19514 812 1 6 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.501 0.043 19514 813 1 6 . 1 1 670 670 TRP C C 670 177.194 177.194 177.580 -0.386 19514 814 1 6 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.627 0.376 19514 815 1 6 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.559 0.155 19514 816 1 6 . 1 1 670 670 TRP H H 670 7.887 7.887 7.901 -0.014 19514 817 1 6 . 1 1 671 671 ASN N N 671 115.549 115.549 114.929 0.620 19514 818 1 6 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.818 -0.268 19514 819 1 6 . 1 1 671 671 ASN C C 671 176.520 176.520 176.238 0.282 19514 820 1 6 . 1 1 671 671 ASN CA C 671 55.017 55.017 54.708 0.309 19514 821 1 6 . 1 1 671 671 ASN CB C 671 38.658 38.658 38.750 -0.092 19514 822 1 6 . 1 1 671 671 ASN H H 671 7.968 7.968 7.862 0.106 19514 823 1 6 . 1 1 672 672 TRP N N 672 120.350 120.350 119.434 0.916 19514 824 1 6 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.228 0.164 19514 825 1 6 . 1 1 672 672 TRP C C 672 176.592 176.592 177.664 -1.072 19514 826 1 6 . 1 1 672 672 TRP CA C 672 59.356 59.356 60.149 -0.793 19514 827 1 6 . 1 1 672 672 TRP CB C 672 29.446 29.446 29.192 0.254 19514 828 1 6 . 1 1 672 672 TRP H H 672 8.013 8.013 7.549 0.464 19514 829 1 6 . 1 1 673 673 PHE N N 673 117.559 117.559 116.752 0.807 19514 830 1 6 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.347 -0.088 19514 831 1 6 . 1 1 673 673 PHE C C 673 175.068 175.068 176.537 -1.469 19514 832 1 6 . 1 1 673 673 PHE CA C 673 58.863 58.863 58.840 0.023 19514 833 1 6 . 1 1 673 673 PHE CB C 673 39.298 39.298 37.319 1.979 19514 834 1 6 . 1 1 673 673 PHE H H 673 7.881 7.881 7.598 0.283 19514 835 1 6 . 1 1 674 674 ASN N N 674 118.329 118.329 124.928 -6.599 19514 836 1 6 . 1 1 674 674 ASN HA H 674 4.569 4.569 4.968 -0.399 19514 837 1 6 . 1 1 674 674 ASN C C 674 175.956 175.956 175.801 0.155 19514 838 1 6 . 1 1 674 674 ASN CA C 674 53.378 53.378 51.523 1.855 19514 839 1 6 . 1 1 674 674 ASN CB C 674 38.420 38.420 37.448 0.972 19514 840 1 6 . 1 1 674 674 ASN H H 674 7.750 7.750 8.634 -0.884 19514 841 1 6 . 1 1 675 675 ILE N N 675 119.444 119.444 121.076 -1.632 19514 842 1 6 . 1 1 675 675 ILE HA H 675 3.727 3.727 3.640 0.087 19514 843 1 6 . 1 1 675 675 ILE C C 675 176.638 176.638 177.680 -1.042 19514 844 1 6 . 1 1 675 675 ILE CA C 675 63.104 63.104 64.621 -1.517 19514 845 1 6 . 1 1 675 675 ILE CB C 675 38.280 38.280 37.991 0.289 19514 846 1 6 . 1 1 675 675 ILE H H 675 8.015 8.015 7.699 0.316 19514 847 1 6 . 1 1 676 676 THR N N 676 114.109 114.109 113.984 0.125 19514 848 1 6 . 1 1 676 676 THR HA H 676 3.913 3.913 4.271 -0.358 19514 849 1 6 . 1 1 676 676 THR C C 676 175.587 175.587 175.566 0.021 19514 850 1 6 . 1 1 676 676 THR CA C 676 65.121 65.121 66.185 -1.064 19514 851 1 6 . 1 1 676 676 THR CB C 676 68.794 68.794 68.652 0.142 19514 852 1 6 . 1 1 676 676 THR H H 676 7.889 7.889 8.342 -0.453 19514 853 1 6 . 1 1 677 677 ASN N N 677 118.858 118.858 119.728 -0.870 19514 854 1 6 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.792 -0.212 19514 855 1 6 . 1 1 677 677 ASN C C 677 176.077 176.077 177.990 -1.913 19514 856 1 6 . 1 1 677 677 ASN CA C 677 54.605 54.605 56.052 -1.447 19514 857 1 6 . 1 1 677 677 ASN CB C 677 38.308 38.308 39.371 -1.063 19514 858 1 6 . 1 1 677 677 ASN H H 677 7.862 7.862 8.427 -0.565 19514 859 1 6 . 1 1 678 678 TRP N N 678 119.189 119.189 120.271 -1.082 19514 860 1 6 . 1 1 678 678 TRP HA H 678 4.617 4.617 4.847 -0.230 19514 861 1 6 . 1 1 678 678 TRP C C 678 176.898 176.898 177.812 -0.914 19514 862 1 6 . 1 1 678 678 TRP CA C 678 58.582 58.582 59.523 -0.941 19514 863 1 6 . 1 1 678 678 TRP CB C 678 29.597 29.597 28.223 1.374 19514 864 1 6 . 1 1 678 678 TRP H H 678 7.795 7.795 8.338 -0.543 19514 865 1 6 . 1 1 679 679 LEU N N 679 117.805 117.805 120.685 -2.880 19514 866 1 6 . 1 1 679 679 LEU HA H 679 4.023 4.023 3.252 0.771 19514 867 1 6 . 1 1 679 679 LEU C C 679 177.463 177.463 178.564 -1.101 19514 868 1 6 . 1 1 679 679 LEU CA C 679 56.776 56.776 55.891 0.885 19514 869 1 6 . 1 1 679 679 LEU CB C 679 41.775 41.775 41.226 0.549 19514 870 1 6 . 1 1 679 679 LEU H H 679 7.753 7.753 7.468 0.285 19514 871 1 6 . 1 1 680 680 TRP N N 680 117.351 117.351 121.683 -4.332 19514 872 1 6 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.265 0.067 19514 873 1 6 . 1 1 680 680 TRP C C 680 176.369 176.369 177.288 -0.919 19514 874 1 6 . 1 1 680 680 TRP CA C 680 58.967 58.967 59.962 -0.994 19514 875 1 6 . 1 1 680 680 TRP CB C 680 29.189 29.189 27.729 1.460 19514 876 1 6 . 1 1 680 680 TRP H H 680 7.542 7.542 8.201 -0.659 19514 877 1 6 . 1 1 681 681 TYR N N 681 116.232 116.232 119.431 -3.199 19514 878 1 6 . 1 1 681 681 TYR HA H 681 4.135 4.135 3.419 0.716 19514 879 1 6 . 1 1 681 681 TYR C C 681 175.623 175.623 175.324 0.299 19514 880 1 6 . 1 1 681 681 TYR CA C 681 59.749 59.749 58.621 1.128 19514 881 1 6 . 1 1 681 681 TYR CB C 681 39.096 39.096 37.987 1.109 19514 882 1 6 . 1 1 681 681 TYR H H 681 7.453 7.453 6.992 0.461 19514 883 1 6 . 1 1 682 682 ILE N N 682 115.034 115.034 115.157 -0.123 19514 884 1 6 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.771 0.414 19514 885 1 6 . 1 1 682 682 ILE C C 682 174.299 174.299 176.614 -2.315 19514 886 1 6 . 1 1 682 682 ILE CA C 682 61.161 61.161 60.431 0.730 19514 887 1 6 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.022 0.764 19514 888 1 6 . 1 1 682 682 ILE H H 682 7.477 7.477 7.266 0.211 19514 889 1 7 . 1 1 658 658 LYS HA H 658 4.273 4.273 4.482 -0.209 19514 890 1 7 . 1 1 658 658 LYS C C 658 175.560 175.560 174.828 0.732 19514 891 1 7 . 1 1 658 658 LYS CA C 658 56.733 56.733 55.468 1.266 19514 892 1 7 . 1 1 658 658 LYS CB C 658 32.982 32.982 34.223 -1.241 19514 893 1 7 . 1 1 659 659 ASP N N 659 121.529 121.529 121.737 -0.208 19514 894 1 7 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.725 -0.139 19514 895 1 7 . 1 1 659 659 ASP C C 659 176.458 176.458 177.229 -0.771 19514 896 1 7 . 1 1 659 659 ASP CA C 659 54.219 54.219 53.664 0.555 19514 897 1 7 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.865 -0.541 19514 898 1 7 . 1 1 659 659 ASP H H 659 8.329 8.329 8.435 -0.106 19514 899 1 7 . 1 1 660 660 LEU N N 660 123.060 123.060 119.809 3.251 19514 900 1 7 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.362 -0.168 19514 901 1 7 . 1 1 660 660 LEU C C 660 177.101 177.101 178.171 -1.070 19514 902 1 7 . 1 1 660 660 LEU CA C 660 56.564 56.564 56.191 0.373 19514 903 1 7 . 1 1 660 660 LEU CB C 660 42.489 42.489 42.301 0.188 19514 904 1 7 . 1 1 660 660 LEU H H 660 8.490 8.490 8.238 0.252 19514 905 1 7 . 1 1 661 661 LEU N N 661 118.573 118.573 118.461 0.112 19514 906 1 7 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.368 -0.019 19514 907 1 7 . 1 1 661 661 LEU C C 661 176.328 176.328 176.067 0.261 19514 908 1 7 . 1 1 661 661 LEU CA C 661 54.819 54.819 54.209 0.610 19514 909 1 7 . 1 1 661 661 LEU CB C 661 41.778 41.778 40.668 1.110 19514 910 1 7 . 1 1 661 661 LEU H H 661 8.114 8.114 8.127 -0.013 19514 911 1 7 . 1 1 662 662 ALA N N 662 122.836 122.836 122.387 0.449 19514 912 1 7 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.223 0.182 19514 913 1 7 . 1 1 662 662 ALA C C 662 177.949 177.949 178.419 -0.470 19514 914 1 7 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.273 -0.136 19514 915 1 7 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.596 0.827 19514 916 1 7 . 1 1 662 662 ALA H H 662 7.849 7.849 7.659 0.190 19514 917 1 7 . 1 1 663 663 LEU N N 663 121.289 121.289 124.925 -3.636 19514 918 1 7 . 1 1 663 663 LEU HA H 663 4.185 4.185 4.011 0.174 19514 919 1 7 . 1 1 663 663 LEU C C 663 177.903 177.903 178.326 -0.423 19514 920 1 7 . 1 1 663 663 LEU CA C 663 56.657 56.657 58.032 -1.375 19514 921 1 7 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.357 0.588 19514 922 1 7 . 1 1 663 663 LEU H H 663 8.302 8.302 8.410 -0.108 19514 923 1 7 . 1 1 664 664 ASP N N 664 118.100 118.100 118.996 -0.896 19514 924 1 7 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.515 -0.096 19514 925 1 7 . 1 1 664 664 ASP C C 664 177.559 177.559 177.942 -0.383 19514 926 1 7 . 1 1 664 664 ASP CA C 664 56.307 56.307 57.206 -0.899 19514 927 1 7 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.390 0.500 19514 928 1 7 . 1 1 664 664 ASP H H 664 8.437 8.437 8.716 -0.279 19514 929 1 7 . 1 1 665 665 SER N N 665 113.890 113.890 114.958 -1.068 19514 930 1 7 . 1 1 665 665 SER HA H 665 4.348 4.348 4.461 -0.113 19514 931 1 7 . 1 1 665 665 SER C C 665 175.610 175.610 175.950 -0.340 19514 932 1 7 . 1 1 665 665 SER CA C 665 59.988 59.988 60.573 -0.585 19514 933 1 7 . 1 1 665 665 SER CB C 665 63.470 63.470 63.670 -0.200 19514 934 1 7 . 1 1 665 665 SER H H 665 7.894 7.894 8.180 -0.286 19514 935 1 7 . 1 1 666 666 TRP N N 666 122.515 122.515 123.473 -0.958 19514 936 1 7 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.117 0.363 19514 937 1 7 . 1 1 666 666 TRP C C 666 177.235 177.235 177.689 -0.454 19514 938 1 7 . 1 1 666 666 TRP CA C 666 59.020 59.020 60.438 -1.418 19514 939 1 7 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.301 0.137 19514 940 1 7 . 1 1 666 666 TRP H H 666 8.038 8.038 8.533 -0.495 19514 941 1 7 . 1 1 667 667 LYS N N 667 118.444 118.444 119.339 -0.895 19514 942 1 7 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.966 -0.049 19514 943 1 7 . 1 1 667 667 LYS C C 667 177.985 177.985 178.578 -0.593 19514 944 1 7 . 1 1 667 667 LYS CA C 667 59.486 59.486 59.618 -0.132 19514 945 1 7 . 1 1 667 667 LYS CB C 667 32.300 32.300 31.650 0.650 19514 946 1 7 . 1 1 667 667 LYS H H 667 7.882 7.882 8.200 -0.318 19514 947 1 7 . 1 1 668 668 ASN N N 668 116.413 116.413 117.550 -1.137 19514 948 1 7 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.637 -0.009 19514 949 1 7 . 1 1 668 668 ASN C C 668 177.013 177.013 177.481 -0.468 19514 950 1 7 . 1 1 668 668 ASN CA C 668 55.039 55.039 55.857 -0.818 19514 951 1 7 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.511 -0.214 19514 952 1 7 . 1 1 668 668 ASN H H 668 8.045 8.045 7.511 0.534 19514 953 1 7 . 1 1 669 669 LEU N N 669 120.829 120.829 121.076 -0.247 19514 954 1 7 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.621 0.403 19514 955 1 7 . 1 1 669 669 LEU C C 669 177.559 177.559 177.491 0.068 19514 956 1 7 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.143 0.798 19514 957 1 7 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.821 0.335 19514 958 1 7 . 1 1 669 669 LEU H H 669 7.804 7.804 7.794 0.010 19514 959 1 7 . 1 1 670 670 TRP N N 670 117.321 117.321 118.539 -1.218 19514 960 1 7 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.441 0.103 19514 961 1 7 . 1 1 670 670 TRP C C 670 177.194 177.194 177.291 -0.097 19514 962 1 7 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.780 0.223 19514 963 1 7 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.785 -0.071 19514 964 1 7 . 1 1 670 670 TRP H H 670 7.887 7.887 7.855 0.032 19514 965 1 7 . 1 1 671 671 ASN N N 671 115.549 115.549 115.078 0.471 19514 966 1 7 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.715 -0.165 19514 967 1 7 . 1 1 671 671 ASN C C 671 176.520 176.520 176.354 0.166 19514 968 1 7 . 1 1 671 671 ASN CA C 671 55.017 55.017 54.481 0.535 19514 969 1 7 . 1 1 671 671 ASN CB C 671 38.658 38.658 38.528 0.130 19514 970 1 7 . 1 1 671 671 ASN H H 671 7.968 7.968 7.938 0.030 19514 971 1 7 . 1 1 672 672 TRP N N 672 120.350 120.350 120.960 -0.610 19514 972 1 7 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.268 0.124 19514 973 1 7 . 1 1 672 672 TRP C C 672 176.592 176.592 177.026 -0.434 19514 974 1 7 . 1 1 672 672 TRP CA C 672 59.356 59.356 60.039 -0.684 19514 975 1 7 . 1 1 672 672 TRP CB C 672 29.446 29.446 28.999 0.447 19514 976 1 7 . 1 1 672 672 TRP H H 672 8.013 8.013 7.340 0.673 19514 977 1 7 . 1 1 673 673 PHE N N 673 117.559 117.559 115.161 2.398 19514 978 1 7 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.504 -0.245 19514 979 1 7 . 1 1 673 673 PHE C C 673 175.068 175.068 176.476 -1.408 19514 980 1 7 . 1 1 673 673 PHE CA C 673 58.863 58.863 58.427 0.436 19514 981 1 7 . 1 1 673 673 PHE CB C 673 39.298 39.298 39.114 0.184 19514 982 1 7 . 1 1 673 673 PHE H H 673 7.881 7.881 7.556 0.325 19514 983 1 7 . 1 1 674 674 ASN N N 674 118.329 118.329 121.549 -3.220 19514 984 1 7 . 1 1 674 674 ASN HA H 674 4.569 4.569 4.893 -0.324 19514 985 1 7 . 1 1 674 674 ASN C C 674 175.956 175.956 175.966 -0.010 19514 986 1 7 . 1 1 674 674 ASN CA C 674 53.378 53.378 52.422 0.956 19514 987 1 7 . 1 1 674 674 ASN CB C 674 38.420 38.420 37.797 0.623 19514 988 1 7 . 1 1 674 674 ASN H H 674 7.750 7.750 8.958 -1.208 19514 989 1 7 . 1 1 675 675 ILE N N 675 119.444 119.444 120.155 -0.711 19514 990 1 7 . 1 1 675 675 ILE HA H 675 3.727 3.727 3.974 -0.247 19514 991 1 7 . 1 1 675 675 ILE C C 675 176.638 176.638 177.716 -1.078 19514 992 1 7 . 1 1 675 675 ILE CA C 675 63.104 63.104 63.097 0.007 19514 993 1 7 . 1 1 675 675 ILE CB C 675 38.280 38.280 37.070 1.210 19514 994 1 7 . 1 1 675 675 ILE H H 675 8.015 8.015 7.613 0.402 19514 995 1 7 . 1 1 676 676 THR N N 676 114.109 114.109 116.002 -1.893 19514 996 1 7 . 1 1 676 676 THR HA H 676 3.913 3.913 4.003 -0.090 19514 997 1 7 . 1 1 676 676 THR C C 676 175.587 175.587 175.722 -0.135 19514 998 1 7 . 1 1 676 676 THR CA C 676 65.121 65.121 66.625 -1.504 19514 999 1 7 . 1 1 676 676 THR CB C 676 68.794 68.794 68.322 0.472 19514 1000 1 7 . 1 1 676 676 THR H H 676 7.889 7.889 8.632 -0.743 19514 1001 1 7 . 1 1 677 677 ASN N N 677 118.858 118.858 118.208 0.650 19514 1002 1 7 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.605 -0.025 19514 1003 1 7 . 1 1 677 677 ASN C C 677 176.077 176.077 176.202 -0.125 19514 1004 1 7 . 1 1 677 677 ASN CA C 677 54.605 54.605 54.706 -0.101 19514 1005 1 7 . 1 1 677 677 ASN CB C 677 38.308 38.308 38.828 -0.520 19514 1006 1 7 . 1 1 677 677 ASN H H 677 7.862 7.862 7.797 0.065 19514 1007 1 7 . 1 1 678 678 TRP N N 678 119.189 119.189 119.933 -0.744 19514 1008 1 7 . 1 1 678 678 TRP HA H 678 4.617 4.617 4.887 -0.270 19514 1009 1 7 . 1 1 678 678 TRP C C 678 176.898 176.898 178.273 -1.375 19514 1010 1 7 . 1 1 678 678 TRP CA C 678 58.582 58.582 60.358 -1.776 19514 1011 1 7 . 1 1 678 678 TRP CB C 678 29.597 29.597 30.719 -1.122 19514 1012 1 7 . 1 1 678 678 TRP H H 678 7.795 7.795 8.338 -0.543 19514 1013 1 7 . 1 1 679 679 LEU N N 679 117.805 117.805 119.273 -1.468 19514 1014 1 7 . 1 1 679 679 LEU HA H 679 4.023 4.023 4.271 -0.248 19514 1015 1 7 . 1 1 679 679 LEU C C 679 177.463 177.463 178.096 -0.633 19514 1016 1 7 . 1 1 679 679 LEU CA C 679 56.776 56.776 57.466 -0.690 19514 1017 1 7 . 1 1 679 679 LEU CB C 679 41.775 41.775 41.329 0.446 19514 1018 1 7 . 1 1 679 679 LEU H H 679 7.753 7.753 8.251 -0.498 19514 1019 1 7 . 1 1 680 680 TRP N N 680 117.351 117.351 120.688 -3.337 19514 1020 1 7 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.373 -0.041 19514 1021 1 7 . 1 1 680 680 TRP C C 680 176.369 176.369 176.509 -0.140 19514 1022 1 7 . 1 1 680 680 TRP CA C 680 58.967 58.967 59.253 -0.286 19514 1023 1 7 . 1 1 680 680 TRP CB C 680 29.189 29.189 28.212 0.977 19514 1024 1 7 . 1 1 680 680 TRP H H 680 7.542 7.542 8.347 -0.805 19514 1025 1 7 . 1 1 681 681 TYR N N 681 116.232 116.232 120.047 -3.815 19514 1026 1 7 . 1 1 681 681 TYR HA H 681 4.135 4.135 3.890 0.245 19514 1027 1 7 . 1 1 681 681 TYR C C 681 175.623 175.623 175.281 0.342 19514 1028 1 7 . 1 1 681 681 TYR CA C 681 59.749 59.749 58.560 1.189 19514 1029 1 7 . 1 1 681 681 TYR CB C 681 39.096 39.096 38.578 0.518 19514 1030 1 7 . 1 1 681 681 TYR H H 681 7.453 7.453 7.480 -0.027 19514 1031 1 7 . 1 1 682 682 ILE N N 682 115.034 115.034 114.741 0.293 19514 1032 1 7 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.809 0.376 19514 1033 1 7 . 1 1 682 682 ILE C C 682 174.299 174.299 175.817 -1.518 19514 1034 1 7 . 1 1 682 682 ILE CA C 682 61.161 61.161 60.167 0.994 19514 1035 1 7 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.426 0.360 19514 1036 1 7 . 1 1 682 682 ILE H H 682 7.477 7.477 6.880 0.597 19514 1037 1 8 . 1 1 658 658 LYS HA H 658 4.273 4.273 4.041 0.232 19514 1038 1 8 . 1 1 658 658 LYS C C 658 175.560 175.560 175.533 0.027 19514 1039 1 8 . 1 1 658 658 LYS CA C 658 56.733 56.733 57.005 -0.272 19514 1040 1 8 . 1 1 658 658 LYS CB C 658 32.982 32.982 32.476 0.506 19514 1041 1 8 . 1 1 659 659 ASP N N 659 121.529 121.529 119.247 2.282 19514 1042 1 8 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.601 -0.015 19514 1043 1 8 . 1 1 659 659 ASP C C 659 176.458 176.458 177.974 -1.516 19514 1044 1 8 . 1 1 659 659 ASP CA C 659 54.219 54.219 54.637 -0.418 19514 1045 1 8 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.250 0.074 19514 1046 1 8 . 1 1 659 659 ASP H H 659 8.329 8.329 8.280 0.049 19514 1047 1 8 . 1 1 660 660 LEU N N 660 123.060 123.060 120.707 2.353 19514 1048 1 8 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.363 -0.169 19514 1049 1 8 . 1 1 660 660 LEU C C 660 177.101 177.101 177.927 -0.826 19514 1050 1 8 . 1 1 660 660 LEU CA C 660 56.564 56.564 56.329 0.235 19514 1051 1 8 . 1 1 660 660 LEU CB C 660 42.489 42.489 42.507 -0.018 19514 1052 1 8 . 1 1 660 660 LEU H H 660 8.490 8.490 8.312 0.178 19514 1053 1 8 . 1 1 661 661 LEU N N 661 118.573 118.573 119.738 -1.165 19514 1054 1 8 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.423 -0.074 19514 1055 1 8 . 1 1 661 661 LEU C C 661 176.328 176.328 176.248 0.080 19514 1056 1 8 . 1 1 661 661 LEU CA C 661 54.819 54.819 54.342 0.477 19514 1057 1 8 . 1 1 661 661 LEU CB C 661 41.778 41.778 40.051 1.727 19514 1058 1 8 . 1 1 661 661 LEU H H 661 8.114 8.114 8.121 -0.007 19514 1059 1 8 . 1 1 662 662 ALA N N 662 122.836 122.836 122.716 0.120 19514 1060 1 8 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.230 0.175 19514 1061 1 8 . 1 1 662 662 ALA C C 662 177.949 177.949 178.283 -0.334 19514 1062 1 8 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.249 -0.112 19514 1063 1 8 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.698 0.726 19514 1064 1 8 . 1 1 662 662 ALA H H 662 7.849 7.849 7.755 0.094 19514 1065 1 8 . 1 1 663 663 LEU N N 663 121.289 121.289 124.489 -3.200 19514 1066 1 8 . 1 1 663 663 LEU HA H 663 4.185 4.185 4.014 0.171 19514 1067 1 8 . 1 1 663 663 LEU C C 663 177.903 177.903 178.214 -0.311 19514 1068 1 8 . 1 1 663 663 LEU CA C 663 56.657 56.657 57.896 -1.239 19514 1069 1 8 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.271 0.674 19514 1070 1 8 . 1 1 663 663 LEU H H 663 8.302 8.302 8.410 -0.108 19514 1071 1 8 . 1 1 664 664 ASP N N 664 118.100 118.100 118.646 -0.546 19514 1072 1 8 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.512 -0.093 19514 1073 1 8 . 1 1 664 664 ASP C C 664 177.559 177.559 178.115 -0.556 19514 1074 1 8 . 1 1 664 664 ASP CA C 664 56.307 56.307 57.246 -0.939 19514 1075 1 8 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.385 0.505 19514 1076 1 8 . 1 1 664 664 ASP H H 664 8.437 8.437 8.737 -0.300 19514 1077 1 8 . 1 1 665 665 SER N N 665 113.890 113.890 114.012 -0.122 19514 1078 1 8 . 1 1 665 665 SER HA H 665 4.348 4.348 4.424 -0.076 19514 1079 1 8 . 1 1 665 665 SER C C 665 175.610 175.610 176.383 -0.773 19514 1080 1 8 . 1 1 665 665 SER CA C 665 59.988 59.988 59.916 0.072 19514 1081 1 8 . 1 1 665 665 SER CB C 665 63.470 63.470 63.910 -0.440 19514 1082 1 8 . 1 1 665 665 SER H H 665 7.894 7.894 8.111 -0.217 19514 1083 1 8 . 1 1 666 666 TRP N N 666 122.515 122.515 123.694 -1.179 19514 1084 1 8 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.193 0.287 19514 1085 1 8 . 1 1 666 666 TRP C C 666 177.235 177.235 177.949 -0.714 19514 1086 1 8 . 1 1 666 666 TRP CA C 666 59.020 59.020 60.385 -1.365 19514 1087 1 8 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.417 0.021 19514 1088 1 8 . 1 1 666 666 TRP H H 666 8.038 8.038 8.243 -0.205 19514 1089 1 8 . 1 1 667 667 LYS N N 667 118.444 118.444 119.702 -1.258 19514 1090 1 8 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.890 0.027 19514 1091 1 8 . 1 1 667 667 LYS C C 667 177.985 177.985 177.994 -0.009 19514 1092 1 8 . 1 1 667 667 LYS CA C 667 59.486 59.486 60.050 -0.564 19514 1093 1 8 . 1 1 667 667 LYS CB C 667 32.300 32.300 32.032 0.268 19514 1094 1 8 . 1 1 667 667 LYS H H 667 7.882 7.882 8.232 -0.350 19514 1095 1 8 . 1 1 668 668 ASN N N 668 116.413 116.413 116.577 -0.164 19514 1096 1 8 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.680 -0.052 19514 1097 1 8 . 1 1 668 668 ASN C C 668 177.013 177.013 177.238 -0.225 19514 1098 1 8 . 1 1 668 668 ASN CA C 668 55.039 55.039 55.457 -0.418 19514 1099 1 8 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.294 0.003 19514 1100 1 8 . 1 1 668 668 ASN H H 668 8.045 8.045 7.627 0.418 19514 1101 1 8 . 1 1 669 669 LEU N N 669 120.829 120.829 120.858 -0.029 19514 1102 1 8 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.595 0.429 19514 1103 1 8 . 1 1 669 669 LEU C C 669 177.559 177.559 177.756 -0.197 19514 1104 1 8 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.124 0.817 19514 1105 1 8 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.821 0.335 19514 1106 1 8 . 1 1 669 669 LEU H H 669 7.804 7.804 7.789 0.015 19514 1107 1 8 . 1 1 670 670 TRP N N 670 117.321 117.321 118.431 -1.110 19514 1108 1 8 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.501 0.043 19514 1109 1 8 . 1 1 670 670 TRP C C 670 177.194 177.194 177.287 -0.093 19514 1110 1 8 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.764 0.239 19514 1111 1 8 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.715 -0.001 19514 1112 1 8 . 1 1 670 670 TRP H H 670 7.887 7.887 7.862 0.025 19514 1113 1 8 . 1 1 671 671 ASN N N 671 115.549 115.549 114.822 0.727 19514 1114 1 8 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.720 -0.170 19514 1115 1 8 . 1 1 671 671 ASN C C 671 176.520 176.520 176.293 0.227 19514 1116 1 8 . 1 1 671 671 ASN CA C 671 55.017 55.017 54.615 0.402 19514 1117 1 8 . 1 1 671 671 ASN CB C 671 38.658 38.658 38.700 -0.042 19514 1118 1 8 . 1 1 671 671 ASN H H 671 7.968 7.968 7.917 0.051 19514 1119 1 8 . 1 1 672 672 TRP N N 672 120.350 120.350 120.756 -0.406 19514 1120 1 8 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.261 0.131 19514 1121 1 8 . 1 1 672 672 TRP C C 672 176.592 176.592 177.587 -0.995 19514 1122 1 8 . 1 1 672 672 TRP CA C 672 59.356 59.356 60.320 -0.964 19514 1123 1 8 . 1 1 672 672 TRP CB C 672 29.446 29.446 29.095 0.351 19514 1124 1 8 . 1 1 672 672 TRP H H 672 8.013 8.013 7.476 0.537 19514 1125 1 8 . 1 1 673 673 PHE N N 673 117.559 117.559 116.879 0.680 19514 1126 1 8 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.367 -0.108 19514 1127 1 8 . 1 1 673 673 PHE C C 673 175.068 175.068 176.640 -1.572 19514 1128 1 8 . 1 1 673 673 PHE CA C 673 58.863 58.863 58.767 0.096 19514 1129 1 8 . 1 1 673 673 PHE CB C 673 39.298 39.298 37.582 1.716 19514 1130 1 8 . 1 1 673 673 PHE H H 673 7.881 7.881 7.707 0.174 19514 1131 1 8 . 1 1 674 674 ASN N N 674 118.329 118.329 125.033 -6.704 19514 1132 1 8 . 1 1 674 674 ASN HA H 674 4.569 4.569 4.812 -0.243 19514 1133 1 8 . 1 1 674 674 ASN C C 674 175.956 175.956 176.198 -0.242 19514 1134 1 8 . 1 1 674 674 ASN CA C 674 53.378 53.378 52.376 1.002 19514 1135 1 8 . 1 1 674 674 ASN CB C 674 38.420 38.420 37.644 0.776 19514 1136 1 8 . 1 1 674 674 ASN H H 674 7.750 7.750 8.683 -0.933 19514 1137 1 8 . 1 1 675 675 ILE N N 675 119.444 119.444 117.960 1.484 19514 1138 1 8 . 1 1 675 675 ILE HA H 675 3.727 3.727 4.053 -0.326 19514 1139 1 8 . 1 1 675 675 ILE C C 675 176.638 176.638 177.329 -0.691 19514 1140 1 8 . 1 1 675 675 ILE CA C 675 63.104 63.104 63.987 -0.883 19514 1141 1 8 . 1 1 675 675 ILE CB C 675 38.280 38.280 37.859 0.421 19514 1142 1 8 . 1 1 675 675 ILE H H 675 8.015 8.015 8.239 -0.224 19514 1143 1 8 . 1 1 676 676 THR N N 676 114.109 114.109 116.034 -1.925 19514 1144 1 8 . 1 1 676 676 THR HA H 676 3.913 3.913 3.987 -0.074 19514 1145 1 8 . 1 1 676 676 THR C C 676 175.587 175.587 176.009 -0.422 19514 1146 1 8 . 1 1 676 676 THR CA C 676 65.121 65.121 66.552 -1.431 19514 1147 1 8 . 1 1 676 676 THR CB C 676 68.794 68.794 68.013 0.781 19514 1148 1 8 . 1 1 676 676 THR H H 676 7.889 7.889 8.539 -0.650 19514 1149 1 8 . 1 1 677 677 ASN N N 677 118.858 118.858 117.788 1.070 19514 1150 1 8 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.609 -0.029 19514 1151 1 8 . 1 1 677 677 ASN C C 677 176.077 176.077 176.190 -0.113 19514 1152 1 8 . 1 1 677 677 ASN CA C 677 54.605 54.605 54.751 -0.145 19514 1153 1 8 . 1 1 677 677 ASN CB C 677 38.308 38.308 38.901 -0.593 19514 1154 1 8 . 1 1 677 677 ASN H H 677 7.862 7.862 7.744 0.118 19514 1155 1 8 . 1 1 678 678 TRP N N 678 119.189 119.189 119.754 -0.565 19514 1156 1 8 . 1 1 678 678 TRP HA H 678 4.617 4.617 4.744 -0.127 19514 1157 1 8 . 1 1 678 678 TRP C C 678 176.898 176.898 178.376 -1.478 19514 1158 1 8 . 1 1 678 678 TRP CA C 678 58.582 58.582 60.165 -1.583 19514 1159 1 8 . 1 1 678 678 TRP CB C 678 29.597 29.597 30.616 -1.019 19514 1160 1 8 . 1 1 678 678 TRP H H 678 7.795 7.795 8.260 -0.465 19514 1161 1 8 . 1 1 679 679 LEU N N 679 117.805 117.805 120.054 -2.249 19514 1162 1 8 . 1 1 679 679 LEU HA H 679 4.023 4.023 4.500 -0.477 19514 1163 1 8 . 1 1 679 679 LEU C C 679 177.463 177.463 179.102 -1.639 19514 1164 1 8 . 1 1 679 679 LEU CA C 679 56.776 56.776 57.394 -0.618 19514 1165 1 8 . 1 1 679 679 LEU CB C 679 41.775 41.775 41.330 0.445 19514 1166 1 8 . 1 1 679 679 LEU H H 679 7.753 7.753 8.303 -0.550 19514 1167 1 8 . 1 1 680 680 TRP N N 680 117.351 117.351 122.075 -4.724 19514 1168 1 8 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.388 -0.056 19514 1169 1 8 . 1 1 680 680 TRP C C 680 176.369 176.369 176.574 -0.205 19514 1170 1 8 . 1 1 680 680 TRP CA C 680 58.967 58.967 59.708 -0.741 19514 1171 1 8 . 1 1 680 680 TRP CB C 680 29.189 29.189 27.732 1.457 19514 1172 1 8 . 1 1 680 680 TRP H H 680 7.542 7.542 8.635 -1.093 19514 1173 1 8 . 1 1 681 681 TYR N N 681 116.232 116.232 116.953 -0.721 19514 1174 1 8 . 1 1 681 681 TYR HA H 681 4.135 4.135 4.207 -0.072 19514 1175 1 8 . 1 1 681 681 TYR C C 681 175.623 175.623 176.056 -0.433 19514 1176 1 8 . 1 1 681 681 TYR CA C 681 59.749 59.749 55.264 4.485 19514 1177 1 8 . 1 1 681 681 TYR CB C 681 39.096 39.096 37.760 1.336 19514 1178 1 8 . 1 1 681 681 TYR H H 681 7.453 7.453 7.583 -0.130 19514 1179 1 8 . 1 1 682 682 ILE N N 682 115.034 115.034 116.857 -1.823 19514 1180 1 8 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.613 0.572 19514 1181 1 8 . 1 1 682 682 ILE C C 682 174.299 174.299 176.572 -2.273 19514 1182 1 8 . 1 1 682 682 ILE CA C 682 61.161 61.161 61.927 -0.766 19514 1183 1 8 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.375 0.411 19514 1184 1 8 . 1 1 682 682 ILE H H 682 7.477 7.477 8.144 -0.667 19514 1185 1 9 . 1 1 658 658 LYS HA H 658 4.273 4.273 4.041 0.232 19514 1186 1 9 . 1 1 658 658 LYS C C 658 175.560 175.560 175.428 0.132 19514 1187 1 9 . 1 1 658 658 LYS CA C 658 56.733 56.733 56.908 -0.175 19514 1188 1 9 . 1 1 658 658 LYS CB C 658 32.982 32.982 32.550 0.432 19514 1189 1 9 . 1 1 659 659 ASP N N 659 121.529 121.529 118.879 2.650 19514 1190 1 9 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.587 -0.001 19514 1191 1 9 . 1 1 659 659 ASP C C 659 176.458 176.458 178.504 -2.046 19514 1192 1 9 . 1 1 659 659 ASP CA C 659 54.219 54.219 54.723 -0.504 19514 1193 1 9 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.291 0.033 19514 1194 1 9 . 1 1 659 659 ASP H H 659 8.329 8.329 8.299 0.030 19514 1195 1 9 . 1 1 660 660 LEU N N 660 123.060 123.060 120.854 2.206 19514 1196 1 9 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.215 -0.021 19514 1197 1 9 . 1 1 660 660 LEU C C 660 177.101 177.101 178.204 -1.103 19514 1198 1 9 . 1 1 660 660 LEU CA C 660 56.564 56.564 56.846 -0.282 19514 1199 1 9 . 1 1 660 660 LEU CB C 660 42.489 42.489 42.251 0.238 19514 1200 1 9 . 1 1 660 660 LEU H H 660 8.490 8.490 8.368 0.122 19514 1201 1 9 . 1 1 661 661 LEU N N 661 118.573 118.573 118.986 -0.413 19514 1202 1 9 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.410 -0.061 19514 1203 1 9 . 1 1 661 661 LEU C C 661 176.328 176.328 176.206 0.122 19514 1204 1 9 . 1 1 661 661 LEU CA C 661 54.819 54.819 54.251 0.568 19514 1205 1 9 . 1 1 661 661 LEU CB C 661 41.778 41.778 39.855 1.923 19514 1206 1 9 . 1 1 661 661 LEU H H 661 8.114 8.114 8.039 0.075 19514 1207 1 9 . 1 1 662 662 ALA N N 662 122.836 122.836 123.013 -0.177 19514 1208 1 9 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.203 0.202 19514 1209 1 9 . 1 1 662 662 ALA C C 662 177.949 177.949 178.103 -0.154 19514 1210 1 9 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.287 -0.150 19514 1211 1 9 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.581 0.842 19514 1212 1 9 . 1 1 662 662 ALA H H 662 7.849 7.849 7.480 0.369 19514 1213 1 9 . 1 1 663 663 LEU N N 663 121.289 121.289 125.926 -4.637 19514 1214 1 9 . 1 1 663 663 LEU HA H 663 4.185 4.185 3.922 0.263 19514 1215 1 9 . 1 1 663 663 LEU C C 663 177.903 177.903 178.297 -0.394 19514 1216 1 9 . 1 1 663 663 LEU CA C 663 56.657 56.657 57.810 -1.153 19514 1217 1 9 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.721 0.223 19514 1218 1 9 . 1 1 663 663 LEU H H 663 8.302 8.302 8.560 -0.258 19514 1219 1 9 . 1 1 664 664 ASP N N 664 118.100 118.100 117.968 0.132 19514 1220 1 9 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.528 -0.109 19514 1221 1 9 . 1 1 664 664 ASP C C 664 177.559 177.559 177.616 -0.057 19514 1222 1 9 . 1 1 664 664 ASP CA C 664 56.307 56.307 57.052 -0.745 19514 1223 1 9 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.343 0.547 19514 1224 1 9 . 1 1 664 664 ASP H H 664 8.437 8.437 8.688 -0.251 19514 1225 1 9 . 1 1 665 665 SER N N 665 113.890 113.890 113.768 0.122 19514 1226 1 9 . 1 1 665 665 SER HA H 665 4.348 4.348 4.459 -0.111 19514 1227 1 9 . 1 1 665 665 SER C C 665 175.610 175.610 176.135 -0.525 19514 1228 1 9 . 1 1 665 665 SER CA C 665 59.988 59.988 59.947 0.041 19514 1229 1 9 . 1 1 665 665 SER CB C 665 63.470 63.470 63.918 -0.448 19514 1230 1 9 . 1 1 665 665 SER H H 665 7.894 7.894 8.098 -0.204 19514 1231 1 9 . 1 1 666 666 TRP N N 666 122.515 122.515 123.875 -1.360 19514 1232 1 9 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.080 0.400 19514 1233 1 9 . 1 1 666 666 TRP C C 666 177.235 177.235 177.669 -0.434 19514 1234 1 9 . 1 1 666 666 TRP CA C 666 59.020 59.020 61.056 -2.036 19514 1235 1 9 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.300 0.138 19514 1236 1 9 . 1 1 666 666 TRP H H 666 8.038 8.038 8.292 -0.254 19514 1237 1 9 . 1 1 667 667 LYS N N 667 118.444 118.444 118.759 -0.315 19514 1238 1 9 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.929 -0.012 19514 1239 1 9 . 1 1 667 667 LYS C C 667 177.985 177.985 178.799 -0.814 19514 1240 1 9 . 1 1 667 667 LYS CA C 667 59.486 59.486 59.867 -0.381 19514 1241 1 9 . 1 1 667 667 LYS CB C 667 32.300 32.300 31.931 0.369 19514 1242 1 9 . 1 1 667 667 LYS H H 667 7.882 7.882 8.071 -0.189 19514 1243 1 9 . 1 1 668 668 ASN N N 668 116.413 116.413 117.966 -1.553 19514 1244 1 9 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.542 0.086 19514 1245 1 9 . 1 1 668 668 ASN C C 668 177.013 177.013 177.403 -0.390 19514 1246 1 9 . 1 1 668 668 ASN CA C 668 55.039 55.039 56.092 -1.053 19514 1247 1 9 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.505 -0.208 19514 1248 1 9 . 1 1 668 668 ASN H H 668 8.045 8.045 7.548 0.497 19514 1249 1 9 . 1 1 669 669 LEU N N 669 120.829 120.829 121.836 -1.007 19514 1250 1 9 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.548 0.476 19514 1251 1 9 . 1 1 669 669 LEU C C 669 177.559 177.559 177.949 -0.390 19514 1252 1 9 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.755 0.186 19514 1253 1 9 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.476 0.680 19514 1254 1 9 . 1 1 669 669 LEU H H 669 7.804 7.804 7.555 0.249 19514 1255 1 9 . 1 1 670 670 TRP N N 670 117.321 117.321 117.365 -0.044 19514 1256 1 9 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.314 0.230 19514 1257 1 9 . 1 1 670 670 TRP C C 670 177.194 177.194 177.453 -0.259 19514 1258 1 9 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.626 0.377 19514 1259 1 9 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.445 0.269 19514 1260 1 9 . 1 1 670 670 TRP H H 670 7.887 7.887 7.891 -0.004 19514 1261 1 9 . 1 1 671 671 ASN N N 671 115.549 115.549 115.134 0.415 19514 1262 1 9 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.880 -0.330 19514 1263 1 9 . 1 1 671 671 ASN C C 671 176.520 176.520 176.502 0.018 19514 1264 1 9 . 1 1 671 671 ASN CA C 671 55.017 55.017 54.923 0.094 19514 1265 1 9 . 1 1 671 671 ASN CB C 671 38.658 38.658 38.837 -0.179 19514 1266 1 9 . 1 1 671 671 ASN H H 671 7.968 7.968 7.791 0.177 19514 1267 1 9 . 1 1 672 672 TRP N N 672 120.350 120.350 120.681 -0.331 19514 1268 1 9 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.451 -0.059 19514 1269 1 9 . 1 1 672 672 TRP C C 672 176.592 176.592 178.114 -1.522 19514 1270 1 9 . 1 1 672 672 TRP CA C 672 59.356 59.356 60.319 -0.963 19514 1271 1 9 . 1 1 672 672 TRP CB C 672 29.446 29.446 29.594 -0.148 19514 1272 1 9 . 1 1 672 672 TRP H H 672 8.013 8.013 7.749 0.264 19514 1273 1 9 . 1 1 673 673 PHE N N 673 117.559 117.559 117.029 0.530 19514 1274 1 9 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.440 -0.181 19514 1275 1 9 . 1 1 673 673 PHE C C 673 175.068 175.068 176.305 -1.237 19514 1276 1 9 . 1 1 673 673 PHE CA C 673 58.863 58.863 59.231 -0.368 19514 1277 1 9 . 1 1 673 673 PHE CB C 673 39.298 39.298 39.154 0.145 19514 1278 1 9 . 1 1 673 673 PHE H H 673 7.881 7.881 8.299 -0.418 19514 1279 1 9 . 1 1 674 674 ASN N N 674 118.329 118.329 123.074 -4.745 19514 1280 1 9 . 1 1 674 674 ASN HA H 674 4.569 4.569 4.957 -0.388 19514 1281 1 9 . 1 1 674 674 ASN C C 674 175.956 175.956 176.100 -0.144 19514 1282 1 9 . 1 1 674 674 ASN CA C 674 53.378 53.378 51.999 1.379 19514 1283 1 9 . 1 1 674 674 ASN CB C 674 38.420 38.420 37.250 1.170 19514 1284 1 9 . 1 1 674 674 ASN H H 674 7.750 7.750 8.846 -1.096 19514 1285 1 9 . 1 1 675 675 ILE N N 675 119.444 119.444 120.186 -0.742 19514 1286 1 9 . 1 1 675 675 ILE HA H 675 3.727 3.727 3.866 -0.139 19514 1287 1 9 . 1 1 675 675 ILE C C 675 176.638 176.638 177.322 -0.684 19514 1288 1 9 . 1 1 675 675 ILE CA C 675 63.104 63.104 64.356 -1.252 19514 1289 1 9 . 1 1 675 675 ILE CB C 675 38.280 38.280 37.867 0.413 19514 1290 1 9 . 1 1 675 675 ILE H H 675 8.015 8.015 7.462 0.553 19514 1291 1 9 . 1 1 676 676 THR N N 676 114.109 114.109 114.068 0.041 19514 1292 1 9 . 1 1 676 676 THR HA H 676 3.913 3.913 4.002 -0.089 19514 1293 1 9 . 1 1 676 676 THR C C 676 175.587 175.587 176.453 -0.866 19514 1294 1 9 . 1 1 676 676 THR CA C 676 65.121 65.121 66.097 -0.976 19514 1295 1 9 . 1 1 676 676 THR CB C 676 68.794 68.794 68.810 -0.016 19514 1296 1 9 . 1 1 676 676 THR H H 676 7.889 7.889 8.652 -0.763 19514 1297 1 9 . 1 1 677 677 ASN N N 677 118.858 118.858 118.998 -0.140 19514 1298 1 9 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.973 -0.393 19514 1299 1 9 . 1 1 677 677 ASN C C 677 176.077 176.077 176.580 -0.503 19514 1300 1 9 . 1 1 677 677 ASN CA C 677 54.605 54.605 55.831 -1.226 19514 1301 1 9 . 1 1 677 677 ASN CB C 677 38.308 38.308 38.818 -0.510 19514 1302 1 9 . 1 1 677 677 ASN H H 677 7.862 7.862 7.792 0.070 19514 1303 1 9 . 1 1 678 678 TRP N N 678 119.189 119.189 119.719 -0.530 19514 1304 1 9 . 1 1 678 678 TRP HA H 678 4.617 4.617 4.695 -0.078 19514 1305 1 9 . 1 1 678 678 TRP C C 678 176.898 176.898 178.162 -1.264 19514 1306 1 9 . 1 1 678 678 TRP CA C 678 58.582 58.582 60.524 -1.942 19514 1307 1 9 . 1 1 678 678 TRP CB C 678 29.597 29.597 30.475 -0.878 19514 1308 1 9 . 1 1 678 678 TRP H H 678 7.795 7.795 8.325 -0.530 19514 1309 1 9 . 1 1 679 679 LEU N N 679 117.805 117.805 118.721 -0.916 19514 1310 1 9 . 1 1 679 679 LEU HA H 679 4.023 4.023 4.175 -0.152 19514 1311 1 9 . 1 1 679 679 LEU C C 679 177.463 177.463 178.211 -0.748 19514 1312 1 9 . 1 1 679 679 LEU CA C 679 56.776 56.776 57.501 -0.725 19514 1313 1 9 . 1 1 679 679 LEU CB C 679 41.775 41.775 41.229 0.546 19514 1314 1 9 . 1 1 679 679 LEU H H 679 7.753 7.753 8.203 -0.450 19514 1315 1 9 . 1 1 680 680 TRP N N 680 117.351 117.351 119.774 -2.423 19514 1316 1 9 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.340 -0.008 19514 1317 1 9 . 1 1 680 680 TRP C C 680 176.369 176.369 178.052 -1.683 19514 1318 1 9 . 1 1 680 680 TRP CA C 680 58.967 58.967 60.187 -1.220 19514 1319 1 9 . 1 1 680 680 TRP CB C 680 29.189 29.189 29.498 -0.310 19514 1320 1 9 . 1 1 680 680 TRP H H 680 7.542 7.542 8.315 -0.773 19514 1321 1 9 . 1 1 681 681 TYR N N 681 116.232 116.232 117.417 -1.185 19514 1322 1 9 . 1 1 681 681 TYR HA H 681 4.135 4.135 4.634 -0.499 19514 1323 1 9 . 1 1 681 681 TYR C C 681 175.623 175.623 175.455 0.168 19514 1324 1 9 . 1 1 681 681 TYR CA C 681 59.749 59.749 59.091 0.658 19514 1325 1 9 . 1 1 681 681 TYR CB C 681 39.096 39.096 39.500 -0.404 19514 1326 1 9 . 1 1 681 681 TYR H H 681 7.453 7.453 7.865 -0.412 19514 1327 1 9 . 1 1 682 682 ILE N N 682 115.034 115.034 115.000 0.034 19514 1328 1 9 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.874 0.311 19514 1329 1 9 . 1 1 682 682 ILE C C 682 174.299 174.299 176.111 -1.812 19514 1330 1 9 . 1 1 682 682 ILE CA C 682 61.161 61.161 60.304 0.857 19514 1331 1 9 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.192 0.594 19514 1332 1 9 . 1 1 682 682 ILE H H 682 7.477 7.477 7.240 0.237 19514 1333 1 10 . 1 1 658 658 LYS HA H 658 4.273 4.273 4.471 -0.198 19514 1334 1 10 . 1 1 658 658 LYS C C 658 175.560 175.560 175.106 0.454 19514 1335 1 10 . 1 1 658 658 LYS CA C 658 56.733 56.733 56.305 0.428 19514 1336 1 10 . 1 1 658 658 LYS CB C 658 32.982 32.982 32.888 0.094 19514 1337 1 10 . 1 1 659 659 ASP N N 659 121.529 121.529 120.640 0.889 19514 1338 1 10 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.625 -0.039 19514 1339 1 10 . 1 1 659 659 ASP C C 659 176.458 176.458 176.839 -0.381 19514 1340 1 10 . 1 1 659 659 ASP CA C 659 54.219 54.219 54.303 -0.084 19514 1341 1 10 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.565 -0.241 19514 1342 1 10 . 1 1 659 659 ASP H H 659 8.329 8.329 7.844 0.485 19514 1343 1 10 . 1 1 660 660 LEU N N 660 123.060 123.060 120.097 2.963 19514 1344 1 10 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.391 -0.197 19514 1345 1 10 . 1 1 660 660 LEU C C 660 177.101 177.101 177.874 -0.773 19514 1346 1 10 . 1 1 660 660 LEU CA C 660 56.564 56.564 56.450 0.114 19514 1347 1 10 . 1 1 660 660 LEU CB C 660 42.489 42.489 42.369 0.120 19514 1348 1 10 . 1 1 660 660 LEU H H 660 8.490 8.490 8.131 0.359 19514 1349 1 10 . 1 1 661 661 LEU N N 661 118.573 118.573 119.725 -1.152 19514 1350 1 10 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.415 -0.066 19514 1351 1 10 . 1 1 661 661 LEU C C 661 176.328 176.328 176.455 -0.127 19514 1352 1 10 . 1 1 661 661 LEU CA C 661 54.819 54.819 54.805 0.014 19514 1353 1 10 . 1 1 661 661 LEU CB C 661 41.778 41.778 40.381 1.397 19514 1354 1 10 . 1 1 661 661 LEU H H 661 8.114 8.114 8.030 0.084 19514 1355 1 10 . 1 1 662 662 ALA N N 662 122.836 122.836 122.352 0.484 19514 1356 1 10 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.246 0.159 19514 1357 1 10 . 1 1 662 662 ALA C C 662 177.949 177.949 178.529 -0.580 19514 1358 1 10 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.265 -0.128 19514 1359 1 10 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.496 0.927 19514 1360 1 10 . 1 1 662 662 ALA H H 662 7.849 7.849 8.106 -0.257 19514 1361 1 10 . 1 1 663 663 LEU N N 663 121.289 121.289 123.649 -2.360 19514 1362 1 10 . 1 1 663 663 LEU HA H 663 4.185 4.185 4.012 0.173 19514 1363 1 10 . 1 1 663 663 LEU C C 663 177.903 177.903 177.811 0.092 19514 1364 1 10 . 1 1 663 663 LEU CA C 663 56.657 56.657 57.968 -1.311 19514 1365 1 10 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.209 0.736 19514 1366 1 10 . 1 1 663 663 LEU H H 663 8.302 8.302 8.494 -0.192 19514 1367 1 10 . 1 1 664 664 ASP N N 664 118.100 118.100 118.843 -0.743 19514 1368 1 10 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.472 -0.053 19514 1369 1 10 . 1 1 664 664 ASP C C 664 177.559 177.559 178.236 -0.677 19514 1370 1 10 . 1 1 664 664 ASP CA C 664 56.307 56.307 57.371 -1.064 19514 1371 1 10 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.142 0.747 19514 1372 1 10 . 1 1 664 664 ASP H H 664 8.437 8.437 8.641 -0.204 19514 1373 1 10 . 1 1 665 665 SER N N 665 113.890 113.890 114.040 -0.150 19514 1374 1 10 . 1 1 665 665 SER HA H 665 4.348 4.348 4.471 -0.123 19514 1375 1 10 . 1 1 665 665 SER C C 665 175.610 175.610 176.380 -0.770 19514 1376 1 10 . 1 1 665 665 SER CA C 665 59.988 59.988 60.030 -0.042 19514 1377 1 10 . 1 1 665 665 SER CB C 665 63.470 63.470 63.830 -0.360 19514 1378 1 10 . 1 1 665 665 SER H H 665 7.894 7.894 8.122 -0.228 19514 1379 1 10 . 1 1 666 666 TRP N N 666 122.515 122.515 123.518 -1.003 19514 1380 1 10 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.146 0.334 19514 1381 1 10 . 1 1 666 666 TRP C C 666 177.235 177.235 177.199 0.036 19514 1382 1 10 . 1 1 666 666 TRP CA C 666 59.020 59.020 60.657 -1.637 19514 1383 1 10 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.373 0.064 19514 1384 1 10 . 1 1 666 666 TRP H H 666 8.038 8.038 8.442 -0.404 19514 1385 1 10 . 1 1 667 667 LYS N N 667 118.444 118.444 118.858 -0.414 19514 1386 1 10 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.955 -0.038 19514 1387 1 10 . 1 1 667 667 LYS C C 667 177.985 177.985 178.826 -0.841 19514 1388 1 10 . 1 1 667 667 LYS CA C 667 59.486 59.486 59.858 -0.372 19514 1389 1 10 . 1 1 667 667 LYS CB C 667 32.300 32.300 32.002 0.298 19514 1390 1 10 . 1 1 667 667 LYS H H 667 7.882 7.882 8.239 -0.357 19514 1391 1 10 . 1 1 668 668 ASN N N 668 116.413 116.413 117.937 -1.524 19514 1392 1 10 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.534 0.094 19514 1393 1 10 . 1 1 668 668 ASN C C 668 177.013 177.013 177.413 -0.400 19514 1394 1 10 . 1 1 668 668 ASN CA C 668 55.039 55.039 55.992 -0.953 19514 1395 1 10 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.414 -0.117 19514 1396 1 10 . 1 1 668 668 ASN H H 668 8.045 8.045 7.562 0.483 19514 1397 1 10 . 1 1 669 669 LEU N N 669 120.829 120.829 121.839 -1.010 19514 1398 1 10 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.500 0.524 19514 1399 1 10 . 1 1 669 669 LEU C C 669 177.559 177.559 178.010 -0.451 19514 1400 1 10 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.774 0.167 19514 1401 1 10 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.564 0.592 19514 1402 1 10 . 1 1 669 669 LEU H H 669 7.804 7.804 7.585 0.219 19514 1403 1 10 . 1 1 670 670 TRP N N 670 117.321 117.321 117.468 -0.147 19514 1404 1 10 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.530 0.014 19514 1405 1 10 . 1 1 670 670 TRP C C 670 177.194 177.194 177.600 -0.406 19514 1406 1 10 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.680 0.323 19514 1407 1 10 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.601 0.113 19514 1408 1 10 . 1 1 670 670 TRP H H 670 7.887 7.887 7.945 -0.058 19514 1409 1 10 . 1 1 671 671 ASN N N 671 115.549 115.549 114.813 0.736 19514 1410 1 10 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.871 -0.321 19514 1411 1 10 . 1 1 671 671 ASN C C 671 176.520 176.520 176.637 -0.117 19514 1412 1 10 . 1 1 671 671 ASN CA C 671 55.017 55.017 54.798 0.219 19514 1413 1 10 . 1 1 671 671 ASN CB C 671 38.658 38.658 38.761 -0.103 19514 1414 1 10 . 1 1 671 671 ASN H H 671 7.968 7.968 7.870 0.098 19514 1415 1 10 . 1 1 672 672 TRP N N 672 120.350 120.350 120.827 -0.477 19514 1416 1 10 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.291 0.101 19514 1417 1 10 . 1 1 672 672 TRP C C 672 176.592 176.592 177.364 -0.772 19514 1418 1 10 . 1 1 672 672 TRP CA C 672 59.356 59.356 60.745 -1.389 19514 1419 1 10 . 1 1 672 672 TRP CB C 672 29.446 29.446 29.165 0.281 19514 1420 1 10 . 1 1 672 672 TRP H H 672 8.013 8.013 7.684 0.329 19514 1421 1 10 . 1 1 673 673 PHE N N 673 117.559 117.559 117.023 0.536 19514 1422 1 10 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.509 -0.250 19514 1423 1 10 . 1 1 673 673 PHE C C 673 175.068 175.068 175.989 -0.921 19514 1424 1 10 . 1 1 673 673 PHE CA C 673 58.863 58.863 59.246 -0.383 19514 1425 1 10 . 1 1 673 673 PHE CB C 673 39.298 39.298 37.273 2.025 19514 1426 1 10 . 1 1 673 673 PHE H H 673 7.881 7.881 7.712 0.169 19514 1427 1 10 . 1 1 674 674 ASN N N 674 118.329 118.329 125.165 -6.836 19514 1428 1 10 . 1 1 674 674 ASN HA H 674 4.569 4.569 5.108 -0.539 19514 1429 1 10 . 1 1 674 674 ASN C C 674 175.956 175.956 175.382 0.574 19514 1430 1 10 . 1 1 674 674 ASN CA C 674 53.378 53.378 51.973 1.405 19514 1431 1 10 . 1 1 674 674 ASN CB C 674 38.420 38.420 38.081 0.339 19514 1432 1 10 . 1 1 674 674 ASN H H 674 7.750 7.750 8.687 -0.937 19514 1433 1 10 . 1 1 675 675 ILE N N 675 119.444 119.444 122.276 -2.832 19514 1434 1 10 . 1 1 675 675 ILE HA H 675 3.727 3.727 2.216 1.511 19514 1435 1 10 . 1 1 675 675 ILE C C 675 176.638 176.638 176.958 -0.320 19514 1436 1 10 . 1 1 675 675 ILE CA C 675 63.104 63.104 63.524 -0.420 19514 1437 1 10 . 1 1 675 675 ILE CB C 675 38.280 38.280 36.123 2.157 19514 1438 1 10 . 1 1 675 675 ILE H H 675 8.015 8.015 8.073 -0.058 19514 1439 1 10 . 1 1 676 676 THR N N 676 114.109 114.109 115.029 -0.920 19514 1440 1 10 . 1 1 676 676 THR HA H 676 3.913 3.913 3.635 0.278 19514 1441 1 10 . 1 1 676 676 THR C C 676 175.587 175.587 176.539 -0.952 19514 1442 1 10 . 1 1 676 676 THR CA C 676 65.121 65.121 66.424 -1.303 19514 1443 1 10 . 1 1 676 676 THR CB C 676 68.794 68.794 68.193 0.601 19514 1444 1 10 . 1 1 676 676 THR H H 676 7.889 7.889 8.092 -0.203 19514 1445 1 10 . 1 1 677 677 ASN N N 677 118.858 118.858 120.142 -1.284 19514 1446 1 10 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.823 -0.243 19514 1447 1 10 . 1 1 677 677 ASN C C 677 176.077 176.077 176.960 -0.883 19514 1448 1 10 . 1 1 677 677 ASN CA C 677 54.605 54.605 56.164 -1.560 19514 1449 1 10 . 1 1 677 677 ASN CB C 677 38.308 38.308 39.172 -0.864 19514 1450 1 10 . 1 1 677 677 ASN H H 677 7.862 7.862 8.261 -0.399 19514 1451 1 10 . 1 1 678 678 TRP N N 678 119.189 119.189 117.042 2.147 19514 1452 1 10 . 1 1 678 678 TRP HA H 678 4.617 4.617 4.938 -0.321 19514 1453 1 10 . 1 1 678 678 TRP C C 678 176.898 176.898 178.355 -1.457 19514 1454 1 10 . 1 1 678 678 TRP CA C 678 58.582 58.582 57.453 1.129 19514 1455 1 10 . 1 1 678 678 TRP CB C 678 29.597 29.597 29.394 0.203 19514 1456 1 10 . 1 1 678 678 TRP H H 678 7.795 7.795 7.581 0.214 19514 1457 1 10 . 1 1 679 679 LEU N N 679 117.805 117.805 121.538 -3.733 19514 1458 1 10 . 1 1 679 679 LEU HA H 679 4.023 4.023 3.866 0.157 19514 1459 1 10 . 1 1 679 679 LEU C C 679 177.463 177.463 179.205 -1.742 19514 1460 1 10 . 1 1 679 679 LEU CA C 679 56.776 56.776 57.417 -0.641 19514 1461 1 10 . 1 1 679 679 LEU CB C 679 41.775 41.775 40.906 0.869 19514 1462 1 10 . 1 1 679 679 LEU H H 679 7.753 7.753 8.556 -0.803 19514 1463 1 10 . 1 1 680 680 TRP N N 680 117.351 117.351 119.640 -2.289 19514 1464 1 10 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.305 0.027 19514 1465 1 10 . 1 1 680 680 TRP C C 680 176.369 176.369 177.966 -1.597 19514 1466 1 10 . 1 1 680 680 TRP CA C 680 58.967 58.967 60.034 -1.067 19514 1467 1 10 . 1 1 680 680 TRP CB C 680 29.189 29.189 29.508 -0.319 19514 1468 1 10 . 1 1 680 680 TRP H H 680 7.542 7.542 7.807 -0.265 19514 1469 1 10 . 1 1 681 681 TYR N N 681 116.232 116.232 117.893 -1.661 19514 1470 1 10 . 1 1 681 681 TYR HA H 681 4.135 4.135 4.647 -0.512 19514 1471 1 10 . 1 1 681 681 TYR C C 681 175.623 175.623 175.573 0.050 19514 1472 1 10 . 1 1 681 681 TYR CA C 681 59.749 59.749 59.496 0.253 19514 1473 1 10 . 1 1 681 681 TYR CB C 681 39.096 39.096 39.309 -0.213 19514 1474 1 10 . 1 1 681 681 TYR H H 681 7.453 7.453 7.976 -0.523 19514 1475 1 10 . 1 1 682 682 ILE N N 682 115.034 115.034 115.473 -0.439 19514 1476 1 10 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.837 0.348 19514 1477 1 10 . 1 1 682 682 ILE C C 682 174.299 174.299 175.545 -1.246 19514 1478 1 10 . 1 1 682 682 ILE CA C 682 61.161 61.161 60.372 0.789 19514 1479 1 10 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.208 0.578 19514 1480 1 10 . 1 1 682 682 ILE H H 682 7.477 7.477 7.487 -0.010 19514 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 24 2.316 0.716 2.250 19514 2 1 1 "Average Difference" HA 25 0.379 -0.067 0.380 19514 3 1 1 "Average Difference" C 25 0.964 0.685 0.692 19514 4 1 1 "Average Difference" CA 25 1.244 0.125 1.264 19514 5 1 1 "Average Difference" CB 25 0.781 -0.474 0.633 19514 6 1 1 "Average Difference" HN 24 0.439 0.100 0.437 19514 7 1 2 "Average Difference" N 24 2.174 1.081 1.926 19514 8 1 2 "Average Difference" HA 25 0.490 -0.103 0.489 19514 9 1 2 "Average Difference" C 25 0.856 0.635 0.586 19514 10 1 2 "Average Difference" CA 25 1.161 0.205 1.166 19514 11 1 2 "Average Difference" CB 25 0.849 -0.484 0.712 19514 12 1 2 "Average Difference" HN 24 0.423 0.148 0.405 19514 13 1 3 "Average Difference" N 24 1.925 0.824 1.778 19514 14 1 3 "Average Difference" HA 25 0.241 0.050 0.240 19514 15 1 3 "Average Difference" C 25 0.866 0.630 0.606 19514 16 1 3 "Average Difference" CA 25 0.982 0.307 0.952 19514 17 1 3 "Average Difference" CB 25 0.749 -0.304 0.699 19514 18 1 3 "Average Difference" HN 24 0.336 0.095 0.330 19514 19 1 4 "Average Difference" N 24 1.893 0.895 1.704 19514 20 1 4 "Average Difference" HA 25 0.361 -0.054 0.365 19514 21 1 4 "Average Difference" C 25 0.870 0.642 0.599 19514 22 1 4 "Average Difference" CA 25 0.900 0.254 0.882 19514 23 1 4 "Average Difference" CB 25 0.818 -0.333 0.762 19514 24 1 4 "Average Difference" HN 24 0.334 0.089 0.329 19514 25 1 5 "Average Difference" N 24 2.247 0.569 2.221 19514 26 1 5 "Average Difference" HA 25 0.223 0.046 0.222 19514 27 1 5 "Average Difference" C 25 0.833 0.635 0.550 19514 28 1 5 "Average Difference" CA 25 0.981 0.377 0.925 19514 29 1 5 "Average Difference" CB 25 0.712 -0.280 0.668 19514 30 1 5 "Average Difference" HN 24 0.427 0.111 0.422 19514 31 1 6 "Average Difference" N 24 2.222 1.139 1.949 19514 32 1 6 "Average Difference" HA 25 0.319 -0.067 0.319 19514 33 1 6 "Average Difference" C 25 0.959 0.646 0.724 19514 34 1 6 "Average Difference" CA 25 0.924 0.183 0.924 19514 35 1 6 "Average Difference" CB 25 0.848 -0.479 0.715 19514 36 1 6 "Average Difference" HN 24 0.398 0.051 0.404 19514 37 1 7 "Average Difference" N 24 1.829 0.768 1.695 19514 38 1 7 "Average Difference" HA 25 0.210 0.020 0.213 19514 39 1 7 "Average Difference" C 25 0.691 0.414 0.564 19514 40 1 7 "Average Difference" CA 25 0.874 0.098 0.887 19514 41 1 7 "Average Difference" CB 25 0.646 -0.232 0.615 19514 42 1 7 "Average Difference" HN 24 0.465 0.097 0.465 19514 43 1 8 "Average Difference" N 24 2.156 0.799 2.046 19514 44 1 8 "Average Difference" HA 25 0.223 0.004 0.228 19514 45 1 8 "Average Difference" C 25 0.877 0.611 0.641 19514 46 1 8 "Average Difference" CA 25 1.185 0.185 1.195 19514 47 1 8 "Average Difference" CB 25 0.774 -0.417 0.666 19514 48 1 8 "Average Difference" HN 24 0.428 0.177 0.398 19514 49 1 9 "Average Difference" N 24 1.721 0.600 1.647 19514 50 1 9 "Average Difference" HA 25 0.244 0.017 0.249 19514 51 1 9 "Average Difference" C 25 0.911 0.664 0.637 19514 52 1 9 "Average Difference" CA 25 0.941 0.440 0.849 19514 53 1 9 "Average Difference" CB 25 0.616 -0.218 0.588 19514 54 1 9 "Average Difference" HN 24 0.429 0.123 0.420 19514 55 1 10 "Average Difference" N 24 2.110 0.884 1.957 19514 56 1 10 "Average Difference" HA 25 0.398 -0.033 0.404 19514 57 1 10 "Average Difference" C 25 0.811 0.568 0.590 19514 58 1 10 "Average Difference" CA 25 0.868 0.301 0.831 19514 59 1 10 "Average Difference" CB 25 0.798 -0.397 0.707 19514 60 1 10 "Average Difference" HN 24 0.377 0.102 0.370 19514 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 19514 _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 4.273 4.273 4.375 -0.102 19514 2 1 . 1 1 658 658 LYS C C 658 175.560 175.560 175.304 0.256 19514 3 1 . 1 1 658 658 LYS CA C 658 56.733 56.733 56.277 0.456 19514 4 1 . 1 1 658 658 LYS CB C 658 32.982 32.982 33.047 -0.065 19514 5 1 . 1 1 659 659 ASP N N 659 121.529 121.529 120.359 1.170 19514 6 1 . 1 1 659 659 ASP HA H 659 4.586 4.586 4.605 -0.019 19514 7 1 . 1 1 659 659 ASP C C 659 176.458 176.458 177.793 -1.335 19514 8 1 . 1 1 659 659 ASP CA C 659 54.219 54.219 54.235 -0.015 19514 9 1 . 1 1 659 659 ASP CB C 659 41.324 41.324 41.619 -0.295 19514 10 1 . 1 1 659 659 ASP H H 659 8.329 8.329 8.177 0.152 19514 11 1 . 1 1 660 660 LEU N N 660 123.060 123.060 120.429 2.631 19514 12 1 . 1 1 660 660 LEU HA H 660 4.194 4.194 4.324 -0.130 19514 13 1 . 1 1 660 660 LEU C C 660 177.101 177.101 177.898 -0.797 19514 14 1 . 1 1 660 660 LEU CA C 660 56.564 56.564 56.300 0.264 19514 15 1 . 1 1 660 660 LEU CB C 660 42.489 42.489 42.326 0.162 19514 16 1 . 1 1 660 660 LEU H H 660 8.490 8.490 8.349 0.141 19514 17 1 . 1 1 661 661 LEU N N 661 118.573 118.573 119.213 -0.640 19514 18 1 . 1 1 661 661 LEU HA H 661 4.349 4.349 4.432 -0.083 19514 19 1 . 1 1 661 661 LEU C C 661 176.328 176.328 176.154 0.174 19514 20 1 . 1 1 661 661 LEU CA C 661 54.819 54.819 54.240 0.579 19514 21 1 . 1 1 661 661 LEU CB C 661 41.778 41.778 40.238 1.540 19514 22 1 . 1 1 661 661 LEU H H 661 8.114 8.114 7.988 0.126 19514 23 1 . 1 1 662 662 ALA N N 662 122.836 122.836 122.749 0.087 19514 24 1 . 1 1 662 662 ALA HA H 662 4.405 4.405 4.225 0.180 19514 25 1 . 1 1 662 662 ALA C C 662 177.949 177.949 178.355 -0.406 19514 26 1 . 1 1 662 662 ALA CA C 662 52.137 52.137 52.346 -0.209 19514 27 1 . 1 1 662 662 ALA CB C 662 19.423 19.423 18.614 0.809 19514 28 1 . 1 1 662 662 ALA H H 662 7.849 7.849 7.641 0.208 19514 29 1 . 1 1 663 663 LEU N N 663 121.289 121.289 125.322 -4.033 19514 30 1 . 1 1 663 663 LEU HA H 663 4.185 4.185 3.956 0.229 19514 31 1 . 1 1 663 663 LEU C C 663 177.903 177.903 178.211 -0.308 19514 32 1 . 1 1 663 663 LEU CA C 663 56.657 56.657 57.831 -1.174 19514 33 1 . 1 1 663 663 LEU CB C 663 41.945 41.945 41.523 0.422 19514 34 1 . 1 1 663 663 LEU H H 663 8.302 8.302 8.612 -0.310 19514 35 1 . 1 1 664 664 ASP N N 664 118.100 118.100 118.399 -0.299 19514 36 1 . 1 1 664 664 ASP HA H 664 4.419 4.419 4.509 -0.090 19514 37 1 . 1 1 664 664 ASP C C 664 177.559 177.559 177.959 -0.400 19514 38 1 . 1 1 664 664 ASP CA C 664 56.307 56.307 57.086 -0.779 19514 39 1 . 1 1 664 664 ASP CB C 664 40.890 40.890 40.394 0.496 19514 40 1 . 1 1 664 664 ASP H H 664 8.437 8.437 8.620 -0.183 19514 41 1 . 1 1 665 665 SER N N 665 113.890 113.890 114.096 -0.206 19514 42 1 . 1 1 665 665 SER HA H 665 4.348 4.348 4.458 -0.110 19514 43 1 . 1 1 665 665 SER C C 665 175.610 175.610 176.349 -0.739 19514 44 1 . 1 1 665 665 SER CA C 665 59.988 59.988 59.869 0.119 19514 45 1 . 1 1 665 665 SER CB C 665 63.470 63.470 63.840 -0.370 19514 46 1 . 1 1 665 665 SER H H 665 7.894 7.894 8.139 -0.245 19514 47 1 . 1 1 666 666 TRP N N 666 122.515 122.515 123.627 -1.112 19514 48 1 . 1 1 666 666 TRP HA H 666 4.480 4.480 4.123 0.357 19514 49 1 . 1 1 666 666 TRP C C 666 177.235 177.235 177.441 -0.206 19514 50 1 . 1 1 666 666 TRP CA C 666 59.020 59.020 60.648 -1.628 19514 51 1 . 1 1 666 666 TRP CB C 666 29.438 29.438 29.346 0.092 19514 52 1 . 1 1 666 666 TRP H H 666 8.038 8.038 8.422 -0.384 19514 53 1 . 1 1 667 667 LYS N N 667 118.444 118.444 118.953 -0.509 19514 54 1 . 1 1 667 667 LYS HA H 667 3.917 3.917 3.940 -0.023 19514 55 1 . 1 1 667 667 LYS C C 667 177.985 177.985 178.573 -0.588 19514 56 1 . 1 1 667 667 LYS CA C 667 59.486 59.486 59.832 -0.346 19514 57 1 . 1 1 667 667 LYS CB C 667 32.300 32.300 31.953 0.347 19514 58 1 . 1 1 667 667 LYS H H 667 7.882 7.882 8.214 -0.332 19514 59 1 . 1 1 668 668 ASN N N 668 116.413 116.413 117.417 -1.004 19514 60 1 . 1 1 668 668 ASN HA H 668 4.628 4.628 4.557 0.071 19514 61 1 . 1 1 668 668 ASN C C 668 177.013 177.013 177.360 -0.347 19514 62 1 . 1 1 668 668 ASN CA C 668 55.039 55.039 55.796 -0.757 19514 63 1 . 1 1 668 668 ASN CB C 668 38.297 38.297 38.251 0.046 19514 64 1 . 1 1 668 668 ASN H H 668 8.045 8.045 7.586 0.459 19514 65 1 . 1 1 669 669 LEU N N 669 120.829 120.829 121.549 -0.720 19514 66 1 . 1 1 669 669 LEU HA H 669 4.024 4.024 3.550 0.474 19514 67 1 . 1 1 669 669 LEU C C 669 177.559 177.559 177.990 -0.431 19514 68 1 . 1 1 669 669 LEU CA C 669 57.941 57.941 57.628 0.313 19514 69 1 . 1 1 669 669 LEU CB C 669 42.156 42.156 41.612 0.544 19514 70 1 . 1 1 669 669 LEU H H 669 7.804 7.804 7.615 0.189 19514 71 1 . 1 1 670 670 TRP N N 670 117.321 117.321 117.686 -0.365 19514 72 1 . 1 1 670 670 TRP HA H 670 4.544 4.544 4.463 0.081 19514 73 1 . 1 1 670 670 TRP C C 670 177.194 177.194 177.574 -0.380 19514 74 1 . 1 1 670 670 TRP CA C 670 59.003 59.003 58.740 0.263 19514 75 1 . 1 1 670 670 TRP CB C 670 29.714 29.714 29.613 0.101 19514 76 1 . 1 1 670 670 TRP H H 670 7.887 7.887 7.896 -0.009 19514 77 1 . 1 1 671 671 ASN N N 671 115.549 115.549 115.059 0.490 19514 78 1 . 1 1 671 671 ASN HA H 671 4.550 4.550 4.811 -0.261 19514 79 1 . 1 1 671 671 ASN C C 671 176.520 176.520 176.541 -0.021 19514 80 1 . 1 1 671 671 ASN CA C 671 55.017 55.017 54.934 0.082 19514 81 1 . 1 1 671 671 ASN CB C 671 38.658 38.658 38.891 -0.233 19514 82 1 . 1 1 671 671 ASN H H 671 7.968 7.968 7.877 0.091 19514 83 1 . 1 1 672 672 TRP N N 672 120.350 120.350 120.500 -0.150 19514 84 1 . 1 1 672 672 TRP HA H 672 4.392 4.392 4.271 0.121 19514 85 1 . 1 1 672 672 TRP C C 672 176.592 176.592 177.681 -1.089 19514 86 1 . 1 1 672 672 TRP CA C 672 59.356 59.356 60.544 -1.188 19514 87 1 . 1 1 672 672 TRP CB C 672 29.446 29.446 29.187 0.259 19514 88 1 . 1 1 672 672 TRP H H 672 8.013 8.013 7.598 0.415 19514 89 1 . 1 1 673 673 PHE N N 673 117.559 117.559 116.977 0.582 19514 90 1 . 1 1 673 673 PHE HA H 673 4.259 4.259 4.494 -0.235 19514 91 1 . 1 1 673 673 PHE C C 673 175.068 175.068 176.030 -0.962 19514 92 1 . 1 1 673 673 PHE CA C 673 58.863 58.863 58.692 0.171 19514 93 1 . 1 1 673 673 PHE CB C 673 39.298 39.298 37.523 1.775 19514 94 1 . 1 1 673 673 PHE H H 673 7.881 7.881 7.813 0.068 19514 95 1 . 1 1 674 674 ASN N N 674 118.329 118.329 123.489 -5.159 19514 96 1 . 1 1 674 674 ASN HA H 674 4.569 4.569 4.974 -0.405 19514 97 1 . 1 1 674 674 ASN C C 674 175.956 175.956 176.010 -0.054 19514 98 1 . 1 1 674 674 ASN CA C 674 53.378 53.378 52.267 1.111 19514 99 1 . 1 1 674 674 ASN CB C 674 38.420 38.420 38.018 0.402 19514 100 1 . 1 1 674 674 ASN H H 674 7.750 7.750 8.703 -0.953 19514 101 1 . 1 1 675 675 ILE N N 675 119.444 119.444 121.088 -1.644 19514 102 1 . 1 1 675 675 ILE HA H 675 3.727 3.727 3.158 0.570 19514 103 1 . 1 1 675 675 ILE C C 675 176.638 176.638 177.242 -0.604 19514 104 1 . 1 1 675 675 ILE CA C 675 63.104 63.104 64.248 -1.144 19514 105 1 . 1 1 675 675 ILE CB C 675 38.280 38.280 37.377 0.903 19514 106 1 . 1 1 675 675 ILE H H 675 8.015 8.015 7.856 0.159 19514 107 1 . 1 1 676 676 THR N N 676 114.109 114.109 114.563 -0.454 19514 108 1 . 1 1 676 676 THR HA H 676 3.913 3.913 3.934 -0.021 19514 109 1 . 1 1 676 676 THR C C 676 175.587 175.587 176.210 -0.623 19514 110 1 . 1 1 676 676 THR CA C 676 65.121 65.121 66.201 -1.080 19514 111 1 . 1 1 676 676 THR CB C 676 68.794 68.794 68.355 0.439 19514 112 1 . 1 1 676 676 THR H H 676 7.889 7.889 8.392 -0.503 19514 113 1 . 1 1 677 677 ASN N N 677 118.858 118.858 118.994 -0.136 19514 114 1 . 1 1 677 677 ASN HA H 677 4.580 4.580 4.731 -0.151 19514 115 1 . 1 1 677 677 ASN C C 677 176.077 176.077 177.094 -1.017 19514 116 1 . 1 1 677 677 ASN CA C 677 54.605 54.605 55.636 -1.031 19514 117 1 . 1 1 677 677 ASN CB C 677 38.308 38.308 38.970 -0.662 19514 118 1 . 1 1 677 677 ASN H H 677 7.862 7.862 7.995 -0.133 19514 119 1 . 1 1 678 678 TRP N N 678 119.189 119.189 119.496 -0.307 19514 120 1 . 1 1 678 678 TRP HA H 678 4.617 4.617 4.838 -0.221 19514 121 1 . 1 1 678 678 TRP C C 678 176.898 176.898 178.186 -1.288 19514 122 1 . 1 1 678 678 TRP CA C 678 58.582 58.582 59.428 -0.846 19514 123 1 . 1 1 678 678 TRP CB C 678 29.597 29.597 29.661 -0.064 19514 124 1 . 1 1 678 678 TRP H H 678 7.795 7.795 8.051 -0.256 19514 125 1 . 1 1 679 679 LEU N N 679 117.805 117.805 120.351 -2.546 19514 126 1 . 1 1 679 679 LEU HA H 679 4.023 4.023 4.069 -0.046 19514 127 1 . 1 1 679 679 LEU C C 679 177.463 177.463 178.728 -1.266 19514 128 1 . 1 1 679 679 LEU CA C 679 56.776 56.776 57.168 -0.392 19514 129 1 . 1 1 679 679 LEU CB C 679 41.775 41.775 41.188 0.587 19514 130 1 . 1 1 679 679 LEU H H 679 7.753 7.753 8.248 -0.495 19514 131 1 . 1 1 680 680 TRP N N 680 117.351 117.351 120.821 -3.470 19514 132 1 . 1 1 680 680 TRP HA H 680 4.332 4.332 4.314 0.018 19514 133 1 . 1 1 680 680 TRP C C 680 176.369 176.369 177.211 -0.842 19514 134 1 . 1 1 680 680 TRP CA C 680 58.967 58.967 59.946 -0.979 19514 135 1 . 1 1 680 680 TRP CB C 680 29.189 29.189 28.480 0.709 19514 136 1 . 1 1 680 680 TRP H H 680 7.542 7.542 8.113 -0.571 19514 137 1 . 1 1 681 681 TYR N N 681 116.232 116.232 117.705 -1.473 19514 138 1 . 1 1 681 681 TYR HA H 681 4.135 4.135 4.194 -0.059 19514 139 1 . 1 1 681 681 TYR C C 681 175.623 175.623 175.840 -0.217 19514 140 1 . 1 1 681 681 TYR CA C 681 59.749 59.749 58.015 1.734 19514 141 1 . 1 1 681 681 TYR CB C 681 39.096 39.096 38.468 0.628 19514 142 1 . 1 1 681 681 TYR H H 681 7.453 7.453 7.548 -0.096 19514 143 1 . 1 1 682 682 ILE N N 682 115.034 115.034 115.627 -0.593 19514 144 1 . 1 1 682 682 ILE HA H 682 4.185 4.185 3.863 0.322 19514 145 1 . 1 1 682 682 ILE C C 682 174.299 174.299 176.137 -1.838 19514 146 1 . 1 1 682 682 ILE CA C 682 61.161 61.161 60.871 0.289 19514 147 1 . 1 1 682 682 ILE CB C 682 38.786 38.786 38.314 0.472 19514 148 1 . 1 1 682 682 ILE H H 682 7.477 7.477 7.636 -0.159 19514 stop_ save_