data_nef_c17488_2l9u save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 637 MET start . . 2 A 638 GLY middle . false 3 A 639 ARG middle . . 4 A 640 THR middle . . 5 A 641 HIS middle . . 6 A 642 LEU middle . . 7 A 643 THR middle . . 8 A 644 MET middle . . 9 A 645 ALA middle . . 10 A 646 LEU middle . . 11 A 647 THR middle . . 12 A 648 VAL middle . . 13 A 649 ILE middle . . 14 A 650 ALA middle . . 15 A 651 GLY middle . false 16 A 652 LEU middle . . 17 A 653 VAL middle . . 18 A 654 VAL middle . . 19 A 655 ILE middle . . 20 A 656 PHE middle . . 21 A 657 MET middle . . 22 A 658 MET middle . . 23 A 659 LEU middle . . 24 A 660 GLY middle . false 25 A 661 GLY middle . false 26 A 662 THR middle . . 27 A 663 PHE middle . . 28 A 664 LEU middle . . 29 A 665 TYR middle . . 30 A 666 TRP middle . . 31 A 667 ARG middle . . 32 A 668 GLY middle . false 33 A 669 ARG middle . . 34 A 670 ARG middle . . 35 A 671 HIS middle . . 36 A 672 HIS middle . . 37 A 673 HIS middle . . 38 A 674 HIS middle . . 39 A 675 HIS middle . . 40 A 676 HIS end . . 41 B 637 MET start . . 42 B 638 GLY middle . false 43 B 639 ARG middle . . 44 B 640 THR middle . . 45 B 641 HIS middle . . 46 B 642 LEU middle . . 47 B 643 THR middle . . 48 B 644 MET middle . . 49 B 645 ALA middle . . 50 B 646 LEU middle . . 51 B 647 THR middle . . 52 B 648 VAL middle . . 53 B 649 ILE middle . . 54 B 650 ALA middle . . 55 B 651 GLY middle . false 56 B 652 LEU middle . . 57 B 653 VAL middle . . 58 B 654 VAL middle . . 59 B 655 ILE middle . . 60 B 656 PHE middle . . 61 B 657 MET middle . . 62 B 658 MET middle . . 63 B 659 LEU middle . . 64 B 660 GLY middle . false 65 B 661 GLY middle . false 66 B 662 THR middle . . 67 B 663 PHE middle . . 68 B 664 LEU middle . . 69 B 665 TYR middle . . 70 B 666 TRP middle . . 71 B 667 ARG middle . . 72 B 668 GLY middle . false 73 B 669 ARG middle . . 74 B 670 ARG middle . . 75 B 671 HIS middle . . 76 B 672 HIS middle . . 77 B 673 HIS middle . . 78 B 674 HIS middle . . 79 B 675 HIS middle . . 80 B 676 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 637 MET H1 H 1 8.678 0.020 A 637 MET HA H 1 4.544 0.020 A 637 MET HBy H 1 2.159 0.020 A 637 MET HBx H 1 2.099 0.020 A 637 MET HE% H 1 2.138 0.020 A 637 MET HG2 H 1 2.667 0.020 A 637 MET HG3 H 1 2.667 0.020 A 637 MET C C 13 176.167 0.400 A 637 MET CA C 13 54.597 0.400 A 637 MET CB C 13 33.480 0.400 A 637 MET CE C 13 17.461 0.400 A 637 MET CG C 13 32.215 0.400 A 637 MET N N 15 128.225 0.400 A 638 GLY H H 1 8.689 0.020 A 638 GLY HA2 H 1 4.059 0.020 A 638 GLY HA3 H 1 4.059 0.020 A 638 GLY C C 13 174.168 0.400 A 638 GLY CA C 13 45.612 0.400 A 638 GLY N N 15 109.336 0.400 A 639 ARG H H 1 8.358 0.020 A 639 ARG HA H 1 4.337 0.020 A 639 ARG HBx H 1 1.920 0.020 A 639 ARG HBy H 1 1.977 0.020 A 639 ARG HD2 H 1 3.278 0.020 A 639 ARG HD3 H 1 3.278 0.020 A 639 ARG HE H 1 7.548 0.020 A 639 ARG HG2 H 1 1.727 0.020 A 639 ARG HG3 H 1 1.727 0.020 A 639 ARG C C 13 177.110 0.400 A 639 ARG CA C 13 57.306 0.400 A 639 ARG CB C 13 30.539 0.400 A 639 ARG CD C 13 43.384 0.400 A 639 ARG CG C 13 27.541 0.400 A 639 ARG N N 15 120.273 0.400 A 640 THR H H 1 8.181 0.020 A 640 THR HA H 1 4.353 0.020 A 640 THR HB H 1 4.347 0.020 A 640 THR HG1 H 1 4.647 0.020 A 640 THR HG2% H 1 1.272 0.020 A 640 THR C C 13 175.368 0.400 A 640 THR CA C 13 63.049 0.400 A 640 THR CB C 13 69.852 0.400 A 640 THR CG2 C 13 21.957 0.400 A 640 THR N N 15 113.498 0.400 A 641 HIS H H 1 8.799 0.020 A 641 HIS HA H 1 4.774 0.020 A 641 HIS HB2 H 1 3.324 0.020 A 641 HIS HB3 H 1 3.393 0.020 A 641 HIS HD2 H 1 7.383 0.020 A 641 HIS HE1 H 1 8.799 0.020 A 641 HIS C C 13 175.596 0.400 A 641 HIS CA C 13 56.993 0.400 A 641 HIS CB C 13 28.820 0.400 A 641 HIS N N 15 119.164 0.400 A 642 LEU H H 1 8.410 0.020 A 642 LEU HA H 1 4.231 0.020 A 642 LEU HB2 H 1 1.829 0.020 A 642 LEU HB3 H 1 1.953 0.020 A 642 LEU HDx% H 1 0.998 0.020 A 642 LEU HDy% H 1 1.031 0.020 A 642 LEU HG H 1 1.726 0.020 A 642 LEU C C 13 177.795 0.400 A 642 LEU CA C 13 58.210 0.400 A 642 LEU CB C 13 42.127 0.400 A 642 LEU CD1 C 13 25.039 0.400 A 642 LEU CD2 C 13 24.464 0.400 A 642 LEU CG C 13 27.388 0.400 A 642 LEU N N 15 120.615 0.400 A 643 THR H H 1 8.159 0.020 A 643 THR HA H 1 3.970 0.020 A 643 THR HB H 1 4.394 0.020 A 643 THR HG1 H 1 4.636 0.020 A 643 THR HG2% H 1 1.321 0.020 A 643 THR C C 13 177.509 0.400 A 643 THR CA C 13 66.465 0.400 A 643 THR CB C 13 68.477 0.400 A 643 THR CG2 C 13 22.440 0.400 A 643 THR N N 15 112.948 0.400 A 644 MET H H 1 8.414 0.020 A 644 MET HA H 1 4.247 0.020 A 644 MET HBy H 1 2.331 0.020 A 644 MET HBx H 1 2.163 0.020 A 644 MET HE% H 1 2.138 0.020 A 644 MET HGy H 1 2.750 0.020 A 644 MET HGx H 1 2.590 0.020 A 644 MET C C 13 177.167 0.400 A 644 MET CA C 13 59.095 0.400 A 644 MET CB C 13 32.629 0.400 A 644 MET CE C 13 17.228 0.400 A 644 MET CG C 13 32.707 0.400 A 644 MET N N 15 122.797 0.400 A 645 ALA H H 1 8.326 0.020 A 645 ALA HA H 1 4.021 0.020 A 645 ALA HB% H 1 1.549 0.020 A 645 ALA C C 13 178.794 0.400 A 645 ALA CA C 13 56.109 0.400 A 645 ALA CB C 13 18.239 0.400 A 645 ALA N N 15 120.664 0.400 A 646 LEU H H 1 8.347 0.020 A 646 LEU HA H 1 4.038 0.020 A 646 LEU HB2 H 1 1.961 0.020 A 646 LEU HB3 H 1 1.560 0.020 A 646 LEU HDx% H 1 0.966 0.020 A 646 LEU HDy% H 1 0.928 0.020 A 646 LEU HG H 1 1.963 0.020 A 646 LEU C C 13 177.909 0.400 A 646 LEU CA C 13 58.235 0.400 A 646 LEU CB C 13 41.969 0.400 A 646 LEU CD1 C 13 25.481 0.400 A 646 LEU CD2 C 13 23.454 0.400 A 646 LEU CG C 13 27.066 0.400 A 646 LEU N N 15 115.241 0.400 A 647 THR H H 1 7.936 0.020 A 647 THR HA H 1 3.818 0.020 A 647 THR HB H 1 4.445 0.020 A 647 THR HG1 H 1 4.646 0.020 A 647 THR HG2% H 1 1.245 0.020 A 647 THR C C 13 175.710 0.400 A 647 THR CA C 13 68.175 0.400 A 647 THR CB C 13 68.180 0.400 A 647 THR CG2 C 13 21.761 0.400 A 647 THR N N 15 115.198 0.400 A 648 VAL H H 1 7.945 0.020 A 648 VAL HA H 1 3.623 0.020 A 648 VAL HB H 1 2.289 0.020 A 648 VAL HGx% H 1 0.937 0.020 A 648 VAL HGy% H 1 1.111 0.020 A 648 VAL C C 13 177.224 0.400 A 648 VAL CA C 13 67.044 0.400 A 648 VAL CB C 13 31.568 0.400 A 648 VAL CG1 C 13 21.518 0.400 A 648 VAL CG2 C 13 23.380 0.400 A 648 VAL N N 15 120.083 0.400 A 649 ILE H H 1 8.192 0.020 A 649 ILE HA H 1 3.630 0.020 A 649 ILE HB H 1 1.976 0.020 A 649 ILE HD1% H 1 0.835 0.020 A 649 ILE HG12 H 1 1.106 0.020 A 649 ILE HG13 H 1 1.859 0.020 A 649 ILE HG2% H 1 0.895 0.020 A 649 ILE C C 13 176.881 0.400 A 649 ILE CA C 13 65.585 0.400 A 649 ILE CB C 13 37.533 0.400 A 649 ILE CD1 C 13 12.820 0.400 A 649 ILE CG1 C 13 29.411 0.400 A 649 ILE CG2 C 13 17.398 0.400 A 649 ILE N N 15 118.236 0.400 A 650 ALA H H 1 8.535 0.020 A 650 ALA HA H 1 3.924 0.020 A 650 ALA HB% H 1 1.497 0.020 A 650 ALA C C 13 178.966 0.400 A 650 ALA CA C 13 55.715 0.400 A 650 ALA CB C 13 18.022 0.400 A 650 ALA N N 15 120.535 0.400 A 651 GLY H H 1 8.401 0.020 A 651 GLY HA2 H 1 3.623 0.020 A 651 GLY HA3 H 1 3.623 0.020 A 651 GLY C C 13 174.511 0.400 A 651 GLY CA C 13 47.406 0.400 A 651 GLY N N 15 103.763 0.400 A 652 LEU H H 1 8.398 0.020 A 652 LEU HA H 1 3.981 0.020 A 652 LEU HB2 H 1 2.034 0.020 A 652 LEU HB3 H 1 1.388 0.020 A 652 LEU HDx% H 1 0.831 0.020 A 652 LEU HDy% H 1 0.803 0.020 A 652 LEU HG H 1 1.890 0.020 A 652 LEU C C 13 178.309 0.400 A 652 LEU CA C 13 58.033 0.400 A 652 LEU CB C 13 41.902 0.400 A 652 LEU CD1 C 13 25.765 0.400 A 652 LEU CD2 C 13 23.440 0.400 A 652 LEU CG C 13 26.767 0.400 A 652 LEU N N 15 120.941 0.400 A 653 VAL H H 1 8.370 0.020 A 653 VAL HA H 1 3.574 0.020 A 653 VAL HB H 1 2.407 0.020 A 653 VAL HGx% H 1 0.970 0.020 A 653 VAL HGy% H 1 1.073 0.020 A 653 VAL C C 13 177.709 0.400 A 653 VAL CA C 13 67.675 0.400 A 653 VAL CB C 13 31.282 0.400 A 653 VAL CG1 C 13 21.781 0.400 A 653 VAL CG2 C 13 23.524 0.400 A 653 VAL N N 15 118.673 0.400 A 654 VAL H H 1 8.212 0.020 A 654 VAL HA H 1 3.631 0.020 A 654 VAL HB H 1 2.347 0.020 A 654 VAL HGx% H 1 0.968 0.020 A 654 VAL HGy% H 1 1.103 0.020 A 654 VAL C C 13 177.766 0.400 A 654 VAL CA C 13 67.786 0.400 A 654 VAL CB C 13 31.165 0.400 A 654 VAL CG1 C 13 21.870 0.400 A 654 VAL CG2 C 13 23.367 0.400 A 654 VAL N N 15 118.992 0.400 A 655 ILE H H 1 8.340 0.020 A 655 ILE HA H 1 3.684 0.020 A 655 ILE HB H 1 2.024 0.020 A 655 ILE HD1% H 1 0.798 0.020 A 655 ILE HG12 H 1 1.107 0.020 A 655 ILE HG13 H 1 1.826 0.020 A 655 ILE HG2% H 1 0.814 0.020 A 655 ILE C C 13 177.709 0.400 A 655 ILE CA C 13 65.442 0.400 A 655 ILE CB C 13 37.308 0.400 A 655 ILE CD1 C 13 12.981 0.400 A 655 ILE CG1 C 13 29.411 0.400 A 655 ILE CG2 C 13 17.227 0.400 A 655 ILE N N 15 119.628 0.400 A 656 PHE H H 1 8.750 0.020 A 656 PHE HA H 1 4.233 0.020 A 656 PHE HBy H 1 3.269 0.020 A 656 PHE HBx H 1 3.208 0.020 A 656 PHE HD1 H 1 7.151 0.020 A 656 PHE HD2 H 1 7.151 0.020 A 656 PHE HE1 H 1 7.089 0.020 A 656 PHE HE2 H 1 7.089 0.020 A 656 PHE HZ H 1 7.024 0.020 A 656 PHE C C 13 177.995 0.400 A 656 PHE CA C 13 62.013 0.400 A 656 PHE CB C 13 38.500 0.400 A 656 PHE CD2 C 13 128.572 0.400 A 656 PHE CE2 C 13 127.681 0.400 A 656 PHE CZ C 13 125.927 0.400 A 656 PHE N N 15 119.601 0.400 A 657 MET H H 1 8.749 0.020 A 657 MET HA H 1 4.087 0.020 A 657 MET HB2 H 1 2.435 0.020 A 657 MET HB3 H 1 2.047 0.020 A 657 MET HE% H 1 2.011 0.020 A 657 MET HG2 H 1 2.537 0.020 A 657 MET HG3 H 1 2.882 0.020 A 657 MET C C 13 178.195 0.400 A 657 MET CA C 13 59.572 0.400 A 657 MET CB C 13 33.073 0.400 A 657 MET CE C 13 17.152 0.400 A 657 MET CG C 13 33.142 0.400 A 657 MET N N 15 118.290 0.400 A 658 MET H H 1 8.566 0.020 A 658 MET HA H 1 4.170 0.020 A 658 MET HB2 H 1 2.329 0.020 A 658 MET HB3 H 1 2.046 0.020 A 658 MET HE% H 1 1.964 0.020 A 658 MET HG2 H 1 2.429 0.020 A 658 MET HG3 H 1 2.786 0.020 A 658 MET C C 13 179.308 0.400 A 658 MET CA C 13 59.110 0.400 A 658 MET CB C 13 33.001 0.400 A 658 MET CE C 13 17.135 0.400 A 658 MET CG C 13 32.755 0.400 A 658 MET N N 15 118.049 0.400 A 659 LEU H H 1 8.810 0.020 A 659 LEU HA H 1 4.079 0.020 A 659 LEU HB2 H 1 1.904 0.020 A 659 LEU HB3 H 1 1.469 0.020 A 659 LEU HDx% H 1 0.831 0.020 A 659 LEU HDy% H 1 0.850 0.020 A 659 LEU HG H 1 1.873 0.020 A 659 LEU C C 13 178.452 0.400 A 659 LEU CA C 13 58.060 0.400 A 659 LEU CB C 13 42.027 0.400 A 659 LEU CD1 C 13 25.458 0.400 A 659 LEU CD2 C 13 23.396 0.400 A 659 LEU CG C 13 26.797 0.400 A 659 LEU N N 15 121.690 0.400 A 660 GLY H H 1 8.945 0.020 A 660 GLY HA2 H 1 3.784 0.020 A 660 GLY HA3 H 1 3.602 0.020 A 660 GLY C C 13 175.368 0.400 A 660 GLY CA C 13 47.617 0.400 A 660 GLY N N 15 106.838 0.400 A 661 GLY H H 1 8.938 0.020 A 661 GLY HA2 H 1 3.857 0.020 A 661 GLY HA3 H 1 3.767 0.020 A 661 GLY C C 13 174.711 0.400 A 661 GLY CA C 13 47.565 0.400 A 661 GLY N N 15 108.547 0.400 A 662 THR H H 1 8.129 0.020 A 662 THR HA H 1 3.965 0.020 A 662 THR HB H 1 4.312 0.020 A 662 THR HG1 H 1 4.642 0.020 A 662 THR HG2% H 1 1.165 0.020 A 662 THR C C 13 176.139 0.400 A 662 THR CA C 13 68.178 0.400 A 662 THR CB C 13 68.073 0.400 A 662 THR CG2 C 13 21.744 0.400 A 662 THR N N 15 118.454 0.400 A 663 PHE H H 1 8.421 0.020 A 663 PHE HA H 1 4.419 0.020 A 663 PHE HB2 H 1 3.302 0.020 A 663 PHE HB3 H 1 3.461 0.020 A 663 PHE HD1 H 1 7.282 0.020 A 663 PHE HD2 H 1 7.282 0.020 A 663 PHE HE1 H 1 7.357 0.020 A 663 PHE HE2 H 1 7.357 0.020 A 663 PHE C C 13 176.967 0.400 A 663 PHE CA C 13 62.091 0.400 A 663 PHE CB C 13 39.248 0.400 A 663 PHE CD2 C 13 129.129 0.400 A 663 PHE CE2 C 13 128.404 0.400 A 663 PHE N N 15 121.373 0.400 A 664 LEU H H 1 8.461 0.020 A 664 LEU HA H 1 3.945 0.020 A 664 LEU HB2 H 1 2.130 0.020 A 664 LEU HB3 H 1 1.586 0.020 A 664 LEU HDx% H 1 1.029 0.020 A 664 LEU HDy% H 1 1.037 0.020 A 664 LEU HG H 1 2.107 0.020 A 664 LEU C C 13 179.394 0.400 A 664 LEU CA C 13 58.084 0.400 A 664 LEU CB C 13 42.016 0.400 A 664 LEU CD1 C 13 25.795 0.400 A 664 LEU CD2 C 13 23.339 0.400 A 664 LEU CG C 13 27.032 0.400 A 664 LEU N N 15 118.446 0.400 A 665 TYR H H 1 8.578 0.020 A 665 TYR HA H 1 4.178 0.020 A 665 TYR HB2 H 1 3.274 0.020 A 665 TYR HB3 H 1 3.150 0.020 A 665 TYR HD1 H 1 6.942 0.020 A 665 TYR HD2 H 1 6.942 0.020 A 665 TYR HE1 H 1 6.756 0.020 A 665 TYR HE2 H 1 6.756 0.020 A 665 TYR C C 13 177.224 0.400 A 665 TYR CA C 13 61.661 0.400 A 665 TYR CB C 13 38.903 0.400 A 665 TYR CD2 C 13 130.211 0.400 A 665 TYR CE2 C 13 115.407 0.400 A 665 TYR N N 15 120.874 0.400 A 666 TRP H H 1 8.786 0.020 A 666 TRP HA H 1 4.160 0.020 A 666 TRP HB2 H 1 3.526 0.020 A 666 TRP HB3 H 1 3.399 0.020 A 666 TRP HD1 H 1 7.205 0.020 A 666 TRP HE1 H 1 10.499 0.020 A 666 TRP HE3 H 1 7.512 0.020 A 666 TRP HH2 H 1 7.082 0.020 A 666 TRP HZ2 H 1 7.518 0.020 A 666 TRP HZ3 H 1 7.108 0.020 A 666 TRP C C 13 178.252 0.400 A 666 TRP CA C 13 60.483 0.400 A 666 TRP CB C 13 29.213 0.400 A 666 TRP CD1 C 13 121.552 0.400 A 666 TRP CE3 C 13 117.876 0.400 A 666 TRP CZ2 C 13 111.948 0.400 A 666 TRP CZ3 C 13 126.028 0.400 A 666 TRP N N 15 120.276 0.400 A 666 TRP NE1 N 15 129.595 0.400 A 667 ARG H H 1 8.555 0.020 A 667 ARG HA H 1 3.622 0.020 A 667 ARG HBy H 1 1.728 0.020 A 667 ARG HBx H 1 1.602 0.020 A 667 ARG HD2 H 1 2.944 0.020 A 667 ARG HD3 H 1 2.944 0.020 A 667 ARG HE H 1 7.677 0.020 A 667 ARG HG2 H 1 1.455 0.020 A 667 ARG HG3 H 1 1.455 0.020 A 667 ARG HH11 H 1 6.990 0.020 A 667 ARG HH12 H 1 6.990 0.020 A 667 ARG C C 13 178.195 0.400 A 667 ARG CA C 13 58.152 0.400 A 667 ARG CB C 13 29.930 0.400 A 667 ARG CD C 13 43.082 0.400 A 667 ARG CG C 13 27.205 0.400 A 667 ARG N N 15 118.113 0.400 A 667 ARG NE N 15 84.308 0.400 A 667 ARG NH1 N 15 72.219 0.400 A 668 GLY H H 1 8.027 0.020 A 668 GLY HA2 H 1 3.895 0.020 A 668 GLY HA3 H 1 3.895 0.020 A 668 GLY C C 13 174.997 0.400 A 668 GLY CA C 13 46.209 0.400 A 668 GLY N N 15 106.594 0.400 A 669 ARG H H 1 7.842 0.020 A 669 ARG HA H 1 4.110 0.020 A 669 ARG HBy H 1 1.780 0.020 A 669 ARG HBx H 1 1.640 0.020 A 669 ARG HDy H 1 3.007 0.020 A 669 ARG HDx H 1 2.930 0.020 A 669 ARG HE H 1 7.330 0.020 A 669 ARG HG2 H 1 1.476 0.020 A 669 ARG HG3 H 1 1.476 0.020 A 669 ARG HH21 H 1 6.835 0.020 A 669 ARG HH22 H 1 6.835 0.020 A 669 ARG C C 13 177.224 0.400 A 669 ARG CA C 13 57.049 0.400 A 669 ARG CB C 13 30.142 0.400 A 669 ARG CD C 13 43.049 0.400 A 669 ARG CG C 13 26.892 0.400 A 669 ARG N N 15 119.984 0.400 A 669 ARG NE N 15 84.567 0.400 A 669 ARG NH2 N 15 72.181 0.400 A 670 ARG H H 1 7.773 0.020 A 670 ARG HA H 1 4.094 0.020 A 670 ARG HBx H 1 1.592 0.020 A 670 ARG HBy H 1 1.642 0.020 A 670 ARG HD2 H 1 2.925 0.020 A 670 ARG HD3 H 1 2.925 0.020 A 670 ARG HE H 1 7.273 0.020 A 670 ARG HG2 H 1 1.419 0.020 A 670 ARG HG3 H 1 1.419 0.020 A 670 ARG HH21 H 1 6.851 0.020 A 670 ARG HH22 H 1 6.851 0.020 A 670 ARG C C 13 176.539 0.400 A 670 ARG CA C 13 56.837 0.400 A 670 ARG CB C 13 30.122 0.400 A 670 ARG CD C 13 43.174 0.400 A 670 ARG CG C 13 26.815 0.400 A 670 ARG N N 15 118.591 0.400 A 670 ARG NE N 15 84.675 0.400 A 670 ARG NH2 N 15 72.179 0.400 A 671 HIS H H 1 8.035 0.020 A 671 HIS HA H 1 4.624 0.020 A 671 HIS HBy H 1 3.255 0.020 A 671 HIS HBx H 1 3.099 0.020 A 671 HIS HD2 H 1 7.275 0.020 A 671 HIS C C 13 174.254 0.400 A 671 HIS CA C 13 55.286 0.400 A 671 HIS CB C 13 28.633 0.400 A 671 HIS CD2 C 13 117.349 0.400 A 671 HIS N N 15 116.788 0.400 A 672 HIS H H 1 8.220 0.020 A 672 HIS HA H 1 4.659 0.020 A 672 HIS HBy H 1 3.279 0.020 A 672 HIS HBx H 1 3.141 0.020 A 672 HIS HD2 H 1 7.298 0.020 A 672 HIS C C 13 173.969 0.400 A 672 HIS CA C 13 55.275 0.400 A 672 HIS CB C 13 28.673 0.400 A 672 HIS CD2 C 13 117.349 0.400 A 672 HIS N N 15 118.291 0.400 A 673 HIS H H 1 8.487 0.020 A 673 HIS HA H 1 4.682 0.020 A 673 HIS HBy H 1 3.269 0.020 A 673 HIS HBx H 1 3.166 0.020 A 673 HIS HD2 H 1 7.340 0.020 A 673 HIS C C 13 173.997 0.400 A 673 HIS CA C 13 55.171 0.400 A 673 HIS CB C 13 29.138 0.400 A 673 HIS CD2 C 13 117.579 0.400 A 673 HIS N N 15 119.232 0.400 A 674 HIS H H 1 8.626 0.020 A 674 HIS HA H 1 4.705 0.020 A 674 HIS HBy H 1 3.281 0.020 A 674 HIS HBx H 1 3.192 0.020 A 674 HIS HD2 H 1 7.303 0.020 A 674 HIS C C 13 173.769 0.400 A 674 HIS CA C 13 55.171 0.400 A 674 HIS CB C 13 28.967 0.400 A 674 HIS CD2 C 13 117.478 0.400 A 674 HIS N N 15 120.002 0.400 A 675 HIS H H 1 8.548 0.020 A 675 HIS HA H 1 4.705 0.020 A 675 HIS HB2 H 1 3.297 0.020 A 675 HIS HB3 H 1 3.297 0.020 A 675 HIS HD2 H 1 7.380 0.020 A 675 HIS C C 13 173.397 0.400 A 675 HIS CA C 13 55.401 0.400 A 675 HIS CB C 13 29.237 0.400 A 675 HIS CD2 C 13 117.818 0.400 A 675 HIS N N 15 120.269 0.400 A 676 HIS H H 1 8.415 0.020 A 676 HIS CA C 13 56.722 0.400 A 676 HIS N N 15 124.968 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 656 PHE HA A 659 LEU H 1.0 . 3.38 2 2 A 659 LEU H A 658 MET HA 1.0 . 0.00 3 3 B 656 PHE HA B 659 LEU H 1.0 . 3.38 4 4 B 659 LEU H B 658 MET HA 1.0 . 0.00 5 5 A 659 LEU H A 658 MET HB2 1.0 . 3.27 6 6 B 659 LEU H B 658 MET HBx 1.0 . 3.27 7 7 A 659 LEU H A 659 LEU HB2 1.0 . 2.72 8 8 B 659 LEU H B 659 LEU HBx 1.0 . 2.72 9 9 A 659 LEU H A 658 MET HB3 1.0 . 3.31 10 10 B 659 LEU H B 658 MET HBy 1.0 . 3.31 11 11 A 659 LEU H A 659 LEU HA 1.0 . 3.04 12 12 B 659 LEU H B 659 LEU HA 1.0 . 3.04 13 13 A 659 LEU H A 659 LEU HDy% 1.0 . 3.21 14 14 B 659 LEU H B 659 LEU HD21 1.0 . 3.21 15 15 A 659 LEU H A 659 LEU HB3 1.0 . 3.73 16 16 B 659 LEU H B 659 LEU HBy 1.0 . 3.73 17 17 A 645 ALA H A 645 ALA HA 1.0 . 3.13 18 18 B 645 ALA H B 645 ALA HA 1.0 . 3.13 19 19 A 645 ALA H A 644 MET HBy 1.0 . 3.49 20 20 B 645 ALA H B 644 MET HBx 1.0 . 3.49 21 21 A 645 ALA H A 644 MET HA 1.0 . 3.48 22 22 B 645 ALA H B 644 MET HA 1.0 . 3.48 23 23 A 645 ALA H A 645 ALA HB% 1.0 . 2.71 24 24 B 645 ALA H B 645 ALA HB1 1.0 . 2.71 25 25 A 645 ALA H A 644 MET H 1.0 . 2.75 26 26 B 645 ALA H B 644 MET H 1.0 . 2.75 27 27 A 645 ALA H A 641 HIS HA 1.0 . 4.12 28 28 B 645 ALA H B 641 HIS HA 1.0 . 4.12 29 29 A 645 ALA H A 644 MET HBx 1.0 . 3.47 30 30 B 645 ALA H B 644 MET HBy 1.0 . 3.47 31 31 A 642 LEU H A 643 THR H 1.0 . 3.22 32 32 B 642 LEU H B 643 THR H 1.0 . 3.22 33 33 A 643 THR H A 643 THR HA 1.0 . 3.27 34 34 B 643 THR H B 643 THR HA 1.0 . 3.27 35 35 A 643 THR H A 642 LEU HB2 1.0 . 3.18 36 36 B 643 THR H B 642 LEU HBx 1.0 . 3.18 37 37 A 643 THR H A 642 LEU HA 1.0 . 3.48 38 38 B 643 THR H B 642 LEU HA 1.0 . 3.48 39 39 A 643 THR H A 643 THR HB 1.0 . 2.96 40 40 B 643 THR H B 643 THR HB 1.0 . 2.96 41 41 A 643 THR H A 643 THR HG2% 1.0 . 3.76 42 42 B 643 THR H B 643 THR HG21 1.0 . 3.76 43 43 A 643 THR H A 642 LEU HDx% 1.0 . 4.45 44 44 B 643 THR H B 642 LEU HD11 1.0 . 4.45 45 45 A 643 THR H A 643 THR HG1 1.0 . 3.95 46 46 B 643 THR H B 643 THR HG1 1.0 . 3.95 47 47 A 656 PHE HA A 656 PHE H 1.0 . 3.04 48 48 B 656 PHE HA B 656 PHE H 1.0 . 3.04 49 49 A 656 PHE H A 655 ILE HG2% 1.0 . 3.20 50 50 B 656 PHE H B 655 ILE HG21 1.0 . 3.20 51 51 A 656 PHE H A 653 VAL HA 1.0 . 3.51 52 52 A 656 PHE H A 655 ILE HA 1.0 . 0.00 53 53 B 656 PHE H B 653 VAL HA 1.0 . 3.51 54 54 B 656 PHE H B 655 ILE HA 1.0 . 0.00 55 55 A 656 PHE H A 655 ILE HB 1.0 . 3.07 56 56 B 656 PHE H B 655 ILE HB 1.0 . 3.07 57 57 A 656 PHE H A 655 ILE HA 1.0 . 3.79 58 58 B 656 PHE H B 655 ILE HA 1.0 . 3.79 59 59 A 639 ARG H A 639 ARG HD2 1.0 . 3.81 60 59 A 639 ARG H A 639 ARG HD3 1.0 . 3.81 61 60 B 639 ARG H B 639 ARG HDx 1.0 . 3.81 62 60 B 639 ARG H B 639 ARG HDy 1.0 . 3.81 63 61 A 639 ARG H A 638 GLY HA2 1.0 . 3.52 64 61 A 639 ARG H A 638 GLY HA3 1.0 . 3.52 65 62 B 639 ARG H B 638 GLY HAx 1.0 . 3.52 66 62 B 639 ARG H B 638 GLY HAy 1.0 . 3.52 67 63 A 639 ARG H A 639 ARG HBx 1.0 . 3.62 68 64 B 639 ARG H B 639 ARG HBx 1.0 . 3.62 69 65 A 639 ARG H A 639 ARG HA 1.0 . 3.86 70 66 B 639 ARG H B 639 ARG HA 1.0 . 3.86 71 67 A 639 ARG H A 638 GLY H 1.0 . 4.09 72 68 B 639 ARG H B 638 GLY H 1.0 . 4.09 73 69 A 653 VAL H A 653 VAL HGx% 1.0 . 3.79 74 70 B 653 VAL H B 653 VAL HG11 1.0 . 3.79 75 71 A 653 VAL H A 652 LEU HB2 1.0 . 3.57 76 72 B 653 VAL H B 652 LEU HBx 1.0 . 3.57 77 73 A 653 VAL H A 653 VAL HGy% 1.0 . 2.88 78 74 B 653 VAL H B 653 VAL HG21 1.0 . 2.88 79 75 A 653 VAL HA A 653 VAL H 1.0 . 3.35 80 76 B 653 VAL HA B 653 VAL H 1.0 . 3.35 81 77 A 653 VAL H A 650 ALA HA 1.0 . 3.64 82 78 B 653 VAL H B 650 ALA HA 1.0 . 3.64 83 79 A 653 VAL H A 652 LEU HDx% 1.0 . 4.43 84 80 B 653 VAL H B 652 LEU HD11 1.0 . 4.43 85 81 A 653 VAL H A 653 VAL HB 1.0 . 3.11 86 82 B 653 VAL H B 653 VAL HB 1.0 . 3.11 87 83 A 656 PHE HA A 660 GLY H 1.0 . 3.63 88 84 B 656 PHE HA B 660 GLY H 1.0 . 3.63 89 85 A 659 LEU H A 660 GLY H 1.0 . 3.00 90 86 B 659 LEU H B 660 GLY H 1.0 . 3.00 91 87 A 660 GLY H A 660 GLY HA3 1.0 . 2.94 92 88 B 660 GLY H B 660 GLY HAy 1.0 . 2.94 93 89 A 659 LEU HB2 A 660 GLY H 1.0 . 3.21 94 90 B 659 LEU HBx B 660 GLY H 1.0 . 3.21 95 91 A 659 LEU HA A 660 GLY H 1.0 . 3.38 96 92 A 660 GLY H A 657 MET HA 1.0 . 0.00 97 93 B 659 LEU HA B 660 GLY H 1.0 . 3.38 98 94 B 660 GLY H B 657 MET HA 1.0 . 0.00 99 95 A 660 GLY H A 660 GLY HA2 1.0 . 2.91 100 96 B 660 GLY H B 660 GLY HAx 1.0 . 2.91 101 97 A 659 LEU HB3 A 660 GLY H 1.0 . 3.42 102 98 B 659 LEU HBy B 660 GLY H 1.0 . 3.42 103 99 A 649 ILE HG2% A 650 ALA H 1.0 . 3.83 104 100 B 649 ILE HG21 B 650 ALA H 1.0 . 3.83 105 101 A 650 ALA H A 647 THR HA 1.0 . 3.70 106 102 B 650 ALA H B 647 THR HA 1.0 . 3.70 107 103 A 650 ALA H A 650 ALA HB% 1.0 . 2.71 108 104 B 650 ALA H B 650 ALA HB1 1.0 . 2.71 109 105 A 650 ALA HA A 650 ALA H 1.0 . 3.25 110 106 B 650 ALA HA B 650 ALA H 1.0 . 3.25 111 107 A 650 ALA H A 649 ILE HA 1.0 . 3.72 112 108 B 650 ALA H B 649 ILE HA 1.0 . 3.72 113 109 A 650 ALA H A 649 ILE HB 1.0 . 3.19 114 110 B 650 ALA H B 649 ILE HB 1.0 . 3.19 115 111 A 646 LEU H A 646 LEU HB2 1.0 . 2.94 116 112 B 646 LEU H B 646 LEU HBx 1.0 . 2.94 117 113 A 645 ALA HA A 646 LEU H 1.0 . 3.05 118 114 A 646 LEU H A 646 LEU HA 1.0 . 0.00 119 115 B 645 ALA HA B 646 LEU H 1.0 . 3.05 120 116 B 646 LEU H B 646 LEU HA 1.0 . 0.00 121 117 A 643 THR HA A 646 LEU H 1.0 . 3.75 122 118 B 643 THR HA B 646 LEU H 1.0 . 3.75 123 119 A 642 LEU HA A 646 LEU H 1.0 . 3.58 124 120 B 642 LEU HA B 646 LEU H 1.0 . 3.58 125 121 A 646 LEU H A 647 THR H 1.0 . 3.04 126 122 B 646 LEU H B 647 THR H 1.0 . 3.04 127 123 A 646 LEU H A 646 LEU HB3 1.0 . 3.66 128 124 B 646 LEU H B 646 LEU HBy 1.0 . 3.66 129 125 A 648 VAL H A 648 VAL HGx% 1.0 . 3.77 130 126 B 648 VAL H B 648 VAL HG11 1.0 . 3.77 131 127 A 648 VAL H A 647 THR HB 1.0 . 3.35 132 128 B 648 VAL H B 647 THR HB 1.0 . 3.35 133 129 A 645 ALA HA A 648 VAL H 1.0 . 3.54 134 130 B 645 ALA HA B 648 VAL H 1.0 . 3.54 135 131 A 648 VAL H A 648 VAL HB 1.0 . 2.96 136 132 B 648 VAL H B 648 VAL HB 1.0 . 2.96 137 133 A 647 THR HA A 648 VAL H 1.0 . 4.16 138 134 B 647 THR HA B 648 VAL H 1.0 . 4.16 139 135 A 648 VAL H A 648 VAL HGy% 1.0 . 2.73 140 136 B 648 VAL H B 648 VAL HG21 1.0 . 2.73 141 137 A 648 VAL H A 648 VAL HA 1.0 . 3.19 142 138 B 648 VAL H B 648 VAL HA 1.0 . 3.19 143 139 A 648 VAL H A 647 THR HG2% 1.0 . 3.41 144 140 B 648 VAL H B 647 THR HG21 1.0 . 3.41 145 141 A 651 GLY H A 651 GLY HA2 1.0 . 2.65 146 141 A 651 GLY H A 651 GLY HA3 1.0 . 2.65 147 142 B 651 GLY H B 651 GLY HAx 1.0 . 2.65 148 142 B 651 GLY H B 651 GLY HAy 1.0 . 2.65 149 143 A 650 ALA H A 651 GLY H 1.0 . 2.95 150 144 B 650 ALA H B 651 GLY H 1.0 . 2.95 151 145 A 650 ALA HB% A 651 GLY H 1.0 . 2.86 152 146 B 650 ALA HB1 B 651 GLY H 1.0 . 2.86 153 147 A 650 ALA HA A 651 GLY H 1.0 . 3.46 154 148 B 650 ALA HA B 651 GLY H 1.0 . 3.46 155 149 A 669 ARG H A 669 ARG HG2 1.0 . 3.26 156 149 A 669 ARG H A 669 ARG HG3 1.0 . 3.26 157 150 B 669 ARG H B 669 ARG HGx 1.0 . 3.26 158 150 B 669 ARG H B 669 ARG HGy 1.0 . 3.26 159 151 A 669 ARG H A 668 GLY HA2 1.0 . 3.57 160 151 A 669 ARG H A 668 GLY HA3 1.0 . 3.57 161 152 B 669 ARG H B 668 GLY HAx 1.0 . 3.57 162 152 B 669 ARG H B 668 GLY HAy 1.0 . 3.57 163 153 A 669 ARG H A 669 ARG HBy 1.0 . 3.46 164 154 B 669 ARG H B 669 ARG HBx 1.0 . 3.46 165 155 A 669 ARG H A 669 ARG HBx 1.0 . 3.35 166 156 B 669 ARG H B 669 ARG HBy 1.0 . 3.35 167 157 A 669 ARG H A 669 ARG HA 1.0 . 3.26 168 158 B 669 ARG H B 669 ARG HA 1.0 . 3.26 169 159 A 666 TRP HE1 A 670 ARG HD2 1.0 . 4.92 170 159 A 666 TRP HE1 A 670 ARG HD3 1.0 . 4.92 171 160 B 666 TRP HE1 B 670 ARG HDx 1.0 . 4.92 172 160 B 666 TRP HE1 B 670 ARG HDy 1.0 . 4.92 173 161 A 666 TRP HE1 A 665 TYR HE% 1.0 . 5.28 174 162 B 666 TRP HE1 B 665 TYR HE% 1.0 . 5.28 175 163 A 666 TRP HE1 A 662 THR HG2% 1.0 . 5.03 176 164 B 666 TRP HE1 B 662 THR HG21 1.0 . 5.03 177 165 A 666 TRP HE1 A 670 ARG HG2 1.0 . 5.18 178 165 A 666 TRP HE1 A 670 ARG HG3 1.0 . 5.18 179 166 B 666 TRP HE1 B 670 ARG HGx 1.0 . 5.18 180 166 B 666 TRP HE1 B 670 ARG HGy 1.0 . 5.18 181 167 A 666 TRP HE1 A 666 TRP HZ2 1.0 . 3.69 182 168 B 666 TRP HE1 B 666 TRP HZ2 1.0 . 3.69 183 169 A 666 TRP HE1 A 666 TRP HD1 1.0 . 3.20 184 170 B 666 TRP HE1 B 666 TRP HD1 1.0 . 3.20 185 171 A 669 ARG HE A 669 ARG HG2 1.0 . 4.26 186 171 A 669 ARG HG3 A 669 ARG HE 1.0 . 4.26 187 172 B 669 ARG HE B 669 ARG HGx 1.0 . 4.26 188 172 B 669 ARG HGy B 669 ARG HE 1.0 . 4.26 189 173 A 669 ARG HE A 670 ARG HA 1.0 . 5.50 190 174 B 669 ARG HE B 670 ARG HA 1.0 . 5.50 191 175 A 669 ARG HBy A 669 ARG HE 1.0 . 5.08 192 176 B 669 ARG HBx B 669 ARG HE 1.0 . 5.08 193 177 A 669 ARG HBx A 669 ARG HE 1.0 . 5.22 194 178 B 669 ARG HBy B 669 ARG HE 1.0 . 5.22 195 179 A 669 ARG HE A 669 ARG HDy 1.0 . 4.17 196 180 B 669 ARG HE B 669 ARG HDx 1.0 . 4.17 197 181 A 669 ARG HE A 669 ARG HDx 1.0 . 4.18 198 182 B 669 ARG HE B 669 ARG HDy 1.0 . 4.18 199 183 A 672 HIS H A 672 HIS HA 1.0 . 3.40 200 184 B 672 HIS H B 672 HIS HA 1.0 . 3.40 201 185 A 672 HIS H A 672 HIS HBx 1.0 . 3.56 202 186 B 672 HIS H B 672 HIS HBy 1.0 . 3.56 203 187 A 670 ARG HA A 672 HIS H 1.0 . 4.70 204 188 B 670 ARG HA B 672 HIS H 1.0 . 4.70 205 189 A 672 HIS H A 672 HIS HD2 1.0 . 5.50 206 190 B 672 HIS H B 672 HIS HD2 1.0 . 5.50 207 191 A 672 HIS H A 672 HIS HBy 1.0 . 3.86 208 192 B 672 HIS H B 672 HIS HBx 1.0 . 3.86 209 193 A 670 ARG HE A 670 ARG HD2 1.0 . 3.87 210 193 A 670 ARG HD3 A 670 ARG HE 1.0 . 3.87 211 194 B 670 ARG HE B 670 ARG HDx 1.0 . 3.87 212 194 B 670 ARG HDy B 670 ARG HE 1.0 . 3.87 213 195 A 670 ARG HE A 670 ARG HG2 1.0 . 4.33 214 195 A 670 ARG HG3 A 670 ARG HE 1.0 . 4.33 215 196 B 670 ARG HE B 670 ARG HGx 1.0 . 4.33 216 196 B 670 ARG HGy B 670 ARG HE 1.0 . 4.33 217 197 A 670 ARG HE A 670 ARG HBx 1.0 . 5.04 218 198 B 670 ARG HE B 670 ARG HBx 1.0 . 5.04 219 199 A 642 LEU H A 642 LEU HG 1.0 . 3.33 220 200 B 642 LEU H B 642 LEU HG 1.0 . 3.33 221 201 A 642 LEU H A 642 LEU HB2 1.0 . 2.83 222 202 B 642 LEU H B 642 LEU HBx 1.0 . 2.83 223 203 A 642 LEU H A 642 LEU HA 1.0 . 3.23 224 204 B 642 LEU H B 642 LEU HA 1.0 . 3.23 225 205 A 641 HIS HA A 642 LEU H 1.0 . 3.71 226 206 B 641 HIS HA B 642 LEU H 1.0 . 3.71 227 207 A 642 LEU H A 641 HIS H 1.0 . 3.25 228 208 B 642 LEU H B 641 HIS H 1.0 . 3.25 229 209 A 642 LEU H A 640 THR HA 1.0 . 3.39 230 210 B 642 LEU H B 640 THR HA 1.0 . 3.39 231 211 A 642 LEU H A 642 LEU HDx% 1.0 . 3.35 232 212 B 642 LEU H B 642 LEU HD11 1.0 . 3.35 233 213 A 665 TYR HB2 A 666 TRP H 1.0 . 3.86 234 214 B 665 TYR HBx B 666 TRP H 1.0 . 3.86 235 215 A 666 TRP H A 666 TRP HB3 1.0 . 3.13 236 216 B 666 TRP H B 666 TRP HBy 1.0 . 3.13 237 217 A 666 TRP H A 665 TYR HD% 1.0 . 3.32 238 218 B 666 TRP H B 665 TYR HD% 1.0 . 3.32 239 219 A 666 TRP H A 665 TYR H 1.0 . 3.13 240 220 B 666 TRP H B 665 TYR H 1.0 . 3.13 241 221 A 666 TRP H A 665 TYR HB3 1.0 . 3.20 242 222 B 666 TRP H B 665 TYR HBy 1.0 . 3.20 243 223 A 662 THR HG2% A 666 TRP H 1.0 . 3.80 244 224 B 662 THR HG21 B 666 TRP H 1.0 . 3.80 245 225 A 666 TRP H A 663 PHE HA 1.0 . 3.71 246 226 B 666 TRP H B 663 PHE HA 1.0 . 3.71 247 227 A 666 TRP H A 662 THR HA 1.0 . 3.91 248 228 B 666 TRP H B 662 THR HA 1.0 . 3.91 249 229 A 666 TRP HD1 A 666 TRP H 1.0 . 4.16 250 230 B 666 TRP HD1 B 666 TRP H 1.0 . 4.16 251 231 A 666 TRP H A 666 TRP HB2 1.0 . 2.89 252 232 B 666 TRP H B 666 TRP HBx 1.0 . 2.89 253 233 A 664 LEU H A 664 LEU HB2 1.0 . 2.68 254 234 B 664 LEU H B 664 LEU HBx 1.0 . 2.68 255 235 A 664 LEU H A 664 LEU HB3 1.0 . 3.82 256 236 B 664 LEU H B 664 LEU HBy 1.0 . 3.82 257 237 A 665 TYR H A 664 LEU H 1.0 . 3.06 258 238 B 665 TYR H B 664 LEU H 1.0 . 3.06 259 239 A 663 PHE HA A 664 LEU H 1.0 . 3.62 260 240 B 663 PHE HA B 664 LEU H 1.0 . 3.62 261 241 A 664 LEU H A 664 LEU HDy% 1.0 . 2.87 262 242 B 664 LEU H B 664 LEU HD21 1.0 . 2.87 263 243 A 664 LEU H A 664 LEU HA 1.0 . 3.09 264 244 B 664 LEU H B 664 LEU HA 1.0 . 3.09 265 245 A 665 TYR HB2 A 665 TYR H 1.0 . 3.27 266 246 B 665 TYR HBx B 665 TYR H 1.0 . 3.27 267 247 A 665 TYR H A 664 LEU HB2 1.0 . 3.57 268 248 B 665 TYR H B 664 LEU HBx 1.0 . 3.57 269 249 A 665 TYR HD% A 665 TYR H 1.0 . 3.95 270 250 B 665 TYR HD% B 665 TYR H 1.0 . 3.95 271 251 A 665 TYR H A 664 LEU HB3 1.0 . 3.73 272 252 B 665 TYR H B 664 LEU HBy 1.0 . 3.73 273 253 A 665 TYR H A 665 TYR HB3 1.0 . 3.19 274 254 B 665 TYR H B 665 TYR HBy 1.0 . 3.19 275 255 A 665 TYR H A 664 LEU HDx% 1.0 . 4.62 276 256 B 665 TYR H B 664 LEU HD11 1.0 . 4.62 277 257 A 665 TYR H A 665 TYR HA 1.0 . 3.14 278 258 B 665 TYR H B 665 TYR HA 1.0 . 3.14 279 259 A 665 TYR H A 664 LEU HA 1.0 . 3.48 280 260 B 665 TYR H B 664 LEU HA 1.0 . 3.48 281 261 A 659 LEU H A 658 MET H 1.0 . 2.97 282 262 B 659 LEU H B 658 MET H 1.0 . 2.97 283 263 A 658 MET H A 658 MET HG3 1.0 . 3.06 284 263 A 658 MET H A 658 MET HG2 1.0 . 3.06 285 264 B 658 MET H B 658 MET HGy 1.0 . 3.06 286 264 B 658 MET H B 658 MET HGx 1.0 . 3.06 287 265 A 658 MET HB2 A 658 MET H 1.0 . 3.05 288 266 B 658 MET HBx B 658 MET H 1.0 . 3.05 289 267 A 658 MET H A 657 MET HB2 1.0 . 2.96 290 268 B 658 MET H B 657 MET HBx 1.0 . 2.96 291 269 A 658 MET H A 657 MET HB3 1.0 . 3.69 292 270 B 658 MET H B 657 MET HBy 1.0 . 3.69 293 271 A 657 MET HA A 658 MET H 1.0 . 3.51 294 272 B 657 MET HA B 658 MET H 1.0 . 3.51 295 273 A 658 MET H A 654 VAL HGx% 1.0 . 4.52 296 274 B 658 MET H B 654 VAL HG11 1.0 . 4.52 297 275 A 658 MET HB3 A 658 MET H 1.0 . 3.75 298 276 B 658 MET HBy B 658 MET H 1.0 . 3.75 299 277 A 658 MET HA A 658 MET H 1.0 . 3.11 300 278 B 658 MET HA B 658 MET H 1.0 . 3.11 301 279 A 670 ARG H A 668 GLY HA2 1.0 . 4.73 302 279 A 668 GLY HA3 A 670 ARG H 1.0 . 4.73 303 280 B 670 ARG H B 668 GLY HAx 1.0 . 4.73 304 280 B 668 GLY HAy B 670 ARG H 1.0 . 4.73 305 281 A 670 ARG HA A 670 ARG H 1.0 . 3.15 306 282 B 670 ARG HA B 670 ARG H 1.0 . 3.15 307 283 A 670 ARG H A 670 ARG HBy 1.0 . 3.59 308 284 B 670 ARG H B 670 ARG HBy 1.0 . 3.59 309 285 A 670 ARG H A 670 ARG HD2 1.0 . 4.48 310 285 A 670 ARG HD3 A 670 ARG H 1.0 . 4.48 311 286 B 670 ARG H B 670 ARG HDx 1.0 . 4.48 312 286 B 670 ARG HDy B 670 ARG H 1.0 . 4.48 313 287 A 670 ARG H A 667 ARG HA 1.0 . 4.67 314 288 B 670 ARG H B 667 ARG HA 1.0 . 4.67 315 289 A 669 ARG HBy A 670 ARG H 1.0 . 4.06 316 290 B 669 ARG HBx B 670 ARG H 1.0 . 4.06 317 291 A 670 ARG H A 670 ARG HG2 1.0 . 3.40 318 291 A 670 ARG HG3 A 670 ARG H 1.0 . 3.40 319 292 B 670 ARG H B 670 ARG HGx 1.0 . 3.40 320 292 B 670 ARG HGy B 670 ARG H 1.0 . 3.40 321 293 A 670 ARG HBx A 670 ARG H 1.0 . 3.44 322 294 B 670 ARG HBx B 670 ARG H 1.0 . 3.44 323 295 A 670 ARG H A 671 HIS H 1.0 . 3.43 324 296 B 670 ARG H B 671 HIS H 1.0 . 3.43 325 297 A 647 THR H A 647 THR HB 1.0 . 3.15 326 298 B 647 THR H B 647 THR HB 1.0 . 3.15 327 299 A 646 LEU HB2 A 647 THR H 1.0 . 3.20 328 300 B 646 LEU HBx B 647 THR H 1.0 . 3.20 329 301 A 647 THR H A 647 THR HG1 1.0 . 3.42 330 302 B 647 THR H B 647 THR HG1 1.0 . 3.42 331 303 A 644 MET HA A 647 THR H 1.0 . 3.53 332 304 B 644 MET HA B 647 THR H 1.0 . 3.53 333 305 A 647 THR HA A 647 THR H 1.0 . 3.15 334 306 B 647 THR HA B 647 THR H 1.0 . 3.15 335 307 A 646 LEU HA A 647 THR H 1.0 . 3.48 336 308 B 646 LEU HA B 647 THR H 1.0 . 3.48 337 309 A 647 THR H A 646 LEU HB3 1.0 . 3.91 338 310 B 647 THR H B 646 LEU HBy 1.0 . 3.91 339 311 A 647 THR H A 647 THR HG2% 1.0 . 3.89 340 312 B 647 THR H B 647 THR HG21 1.0 . 3.89 341 313 A 644 MET H A 644 MET HGx 1.0 . 3.39 342 314 B 644 MET H B 644 MET HGy 1.0 . 3.39 343 315 A 644 MET HBy A 644 MET H 1.0 . 3.09 344 316 B 644 MET HBx B 644 MET H 1.0 . 3.09 345 317 A 644 MET H A 643 THR H 1.0 . 3.16 346 318 B 644 MET H B 643 THR H 1.0 . 3.16 347 319 A 644 MET HA A 644 MET H 1.0 . 3.36 348 320 B 644 MET HA B 644 MET H 1.0 . 3.36 349 321 A 644 MET H A 643 THR HA 1.0 . 3.74 350 322 B 644 MET H B 643 THR HA 1.0 . 3.74 351 323 A 644 MET H A 643 THR HB 1.0 . 3.20 352 324 B 644 MET H B 643 THR HB 1.0 . 3.20 353 325 A 644 MET H A 641 HIS HA 1.0 . 3.74 354 326 B 644 MET H B 641 HIS HA 1.0 . 3.74 355 327 A 644 MET H A 643 THR HG2% 1.0 . 3.38 356 328 B 644 MET H B 643 THR HG21 1.0 . 3.38 357 329 A 644 MET H A 644 MET HBx 1.0 . 3.82 358 330 B 644 MET H B 644 MET HBy 1.0 . 3.82 359 331 A 644 MET H A 644 MET HGy 1.0 . 3.55 360 332 B 644 MET H B 644 MET HGx 1.0 . 3.55 361 333 A 648 VAL HGx% A 649 ILE H 1.0 . 3.15 362 334 B 648 VAL HG11 B 649 ILE H 1.0 . 3.15 363 335 A 648 VAL HB A 649 ILE H 1.0 . 3.07 364 336 B 648 VAL HB B 649 ILE H 1.0 . 3.07 365 337 A 650 ALA H A 649 ILE H 1.0 . 2.87 366 338 B 650 ALA H B 649 ILE H 1.0 . 2.87 367 339 A 648 VAL H A 649 ILE H 1.0 . 2.86 368 340 B 648 VAL H B 649 ILE H 1.0 . 2.86 369 341 A 649 ILE H A 649 ILE HG12 1.0 . 3.28 370 342 B 649 ILE H B 649 ILE HG1x 1.0 . 3.28 371 343 A 646 LEU HA A 649 ILE H 1.0 . 3.61 372 344 B 646 LEU HA B 649 ILE H 1.0 . 3.61 373 345 A 649 ILE HA A 649 ILE H 1.0 . 2.98 374 346 B 649 ILE HA B 649 ILE H 1.0 . 2.98 375 347 A 649 ILE H A 649 ILE HG13 1.0 . 2.95 376 348 B 649 ILE H B 649 ILE HG1y 1.0 . 2.95 377 349 A 649 ILE HB A 649 ILE H 1.0 . 2.81 378 350 B 649 ILE HB B 649 ILE H 1.0 . 2.81 379 351 A 641 HIS H A 640 THR HG2% 1.0 . 3.67 380 352 B 641 HIS H B 640 THR HG21 1.0 . 3.67 381 353 A 641 HIS HA A 641 HIS H 1.0 . 3.51 382 354 B 641 HIS HA B 641 HIS H 1.0 . 3.51 383 355 A 641 HIS H A 640 THR H 1.0 . 3.44 384 356 B 641 HIS H B 640 THR H 1.0 . 3.44 385 357 A 641 HIS H A 640 THR HA 1.0 . 2.80 386 358 A 641 HIS H A 640 THR HB 1.0 . 0.00 387 359 B 641 HIS H B 640 THR HA 1.0 . 2.80 388 360 B 641 HIS H B 640 THR HB 1.0 . 0.00 389 361 A 661 GLY H A 661 GLY HA3 1.0 . 2.81 390 362 B 661 GLY H B 661 GLY HAy 1.0 . 2.81 391 363 A 660 GLY HA3 A 661 GLY H 1.0 . 3.42 392 364 B 660 GLY HAy B 661 GLY H 1.0 . 3.42 393 365 A 661 GLY H A 661 GLY HA2 1.0 . 2.94 394 366 B 661 GLY H B 661 GLY HAx 1.0 . 2.94 395 367 A 657 MET HA A 661 GLY H 1.0 . 3.83 396 368 B 657 MET HA B 661 GLY H 1.0 . 3.83 397 369 A 658 MET HA A 661 GLY H 1.0 . 3.63 398 370 B 658 MET HA B 661 GLY H 1.0 . 3.63 399 371 A 655 ILE H A 655 ILE HG13 1.0 . 3.01 400 372 B 655 ILE H B 655 ILE HG1y 1.0 . 3.01 401 373 A 656 PHE H A 655 ILE H 1.0 . 3.00 402 374 B 656 PHE H B 655 ILE H 1.0 . 3.00 403 375 A 655 ILE H A 652 LEU HA 1.0 . 3.57 404 376 B 655 ILE H B 652 LEU HA 1.0 . 3.57 405 377 A 655 ILE HG2% A 655 ILE H 1.0 . 3.70 406 378 B 655 ILE HG21 B 655 ILE H 1.0 . 3.70 407 379 A 655 ILE HB A 655 ILE H 1.0 . 2.82 408 380 B 655 ILE HB B 655 ILE H 1.0 . 2.82 409 381 A 655 ILE H A 654 VAL HB 1.0 . 3.05 410 382 B 655 ILE H B 654 VAL HB 1.0 . 3.05 411 383 A 654 VAL HGx% A 655 ILE H 1.0 . 3.69 412 384 B 654 VAL HG11 B 655 ILE H 1.0 . 3.69 413 385 A 655 ILE H A 655 ILE HG12 1.0 . 3.97 414 386 B 655 ILE H B 655 ILE HG1x 1.0 . 3.97 415 387 A 655 ILE HA A 655 ILE H 1.0 . 2.99 416 388 B 655 ILE HA B 655 ILE H 1.0 . 2.99 417 389 A 655 ILE H A 654 VAL H 1.0 . 3.12 418 390 B 655 ILE H B 654 VAL H 1.0 . 3.12 419 391 A 667 ARG HBy A 667 ARG HE 1.0 . 4.67 420 392 B 667 ARG HBx B 667 ARG HE 1.0 . 4.67 421 393 A 664 LEU HDy% A 667 ARG HE 1.0 . 4.75 422 394 B 664 LEU HD21 B 667 ARG HE 1.0 . 4.75 423 395 A 667 ARG HE A 667 ARG HG2 1.0 . 3.80 424 395 A 667 ARG HE A 667 ARG HG3 1.0 . 3.80 425 396 B 667 ARG HE B 667 ARG HGx 1.0 . 3.80 426 396 B 667 ARG HE B 667 ARG HGy 1.0 . 3.80 427 397 A 667 ARG HE A 667 ARG HBx 1.0 . 4.67 428 398 B 667 ARG HE B 667 ARG HBy 1.0 . 4.67 429 399 A 667 ARG HE A 667 ARG HD2 1.0 . 3.53 430 399 A 667 ARG HE A 667 ARG HD3 1.0 . 3.53 431 400 B 667 ARG HE B 667 ARG HDx 1.0 . 3.53 432 400 B 667 ARG HE B 667 ARG HDy 1.0 . 3.53 433 401 A 637 MET H1 A 637 MET HBx 1.0 . 4.17 434 402 B 637 MET H1 B 637 MET HBy 1.0 . 4.17 435 403 A 637 MET H1 A 637 MET HA 1.0 . 4.17 436 404 B 637 MET H1 B 637 MET HA 1.0 . 4.17 437 405 A 637 MET H1 A 637 MET HBy 1.0 . 4.84 438 406 B 637 MET H1 B 637 MET HBx 1.0 . 4.84 439 407 A 637 MET H1 A 637 MET HG2 1.0 . 4.47 440 407 A 637 MET H1 A 637 MET HG3 1.0 . 4.47 441 408 B 637 MET H1 B 637 MET HGx 1.0 . 4.47 442 408 B 637 MET H1 B 637 MET HGy 1.0 . 4.47 443 409 A 662 THR HB A 663 PHE H 1.0 . 3.30 444 410 B 662 THR HB B 663 PHE H 1.0 . 3.30 445 411 A 662 THR HG2% A 663 PHE H 1.0 . 3.46 446 412 B 662 THR HG21 B 663 PHE H 1.0 . 3.46 447 413 A 663 PHE HA A 663 PHE H 1.0 . 3.07 448 414 B 663 PHE HA B 663 PHE H 1.0 . 3.07 449 415 A 662 THR HA A 663 PHE H 1.0 . 3.62 450 416 B 662 THR HA B 663 PHE H 1.0 . 3.62 451 417 A 674 HIS H A 674 HIS HBx 1.0 . 4.01 452 418 B 674 HIS H B 674 HIS HBy 1.0 . 4.01 453 419 A 674 HIS H A 674 HIS HA 1.0 . 3.09 454 420 B 674 HIS H B 674 HIS HA 1.0 . 3.09 455 421 A 674 HIS H A 674 HIS HBy 1.0 . 4.10 456 422 B 674 HIS H B 674 HIS HBx 1.0 . 4.10 457 423 A 640 THR H A 639 ARG HBy 1.0 . 3.84 458 424 B 640 THR H B 639 ARG HBy 1.0 . 3.84 459 425 A 639 ARG H A 640 THR H 1.0 . 3.54 460 426 B 639 ARG H B 640 THR H 1.0 . 3.54 461 427 A 640 THR HG2% A 640 THR H 1.0 . 3.90 462 428 B 640 THR HG21 B 640 THR H 1.0 . 3.90 463 429 A 640 THR H A 638 GLY HA2 1.0 . 4.63 464 429 A 638 GLY HA3 A 640 THR H 1.0 . 4.63 465 430 B 640 THR H B 638 GLY HAx 1.0 . 4.63 466 430 B 638 GLY HAy B 640 THR H 1.0 . 4.63 467 431 A 640 THR HA A 640 THR H 1.0 . 3.05 468 432 B 640 THR HA B 640 THR H 1.0 . 3.05 469 433 A 656 PHE HA A 657 MET H 1.0 . 3.58 470 434 B 656 PHE HA B 657 MET H 1.0 . 3.58 471 435 A 653 VAL HGx% A 657 MET H 1.0 . 3.92 472 436 B 653 VAL HG11 B 657 MET H 1.0 . 3.92 473 437 A 657 MET HB2 A 657 MET H 1.0 . 3.00 474 438 B 657 MET HBx B 657 MET H 1.0 . 3.00 475 439 A 657 MET HB3 A 657 MET H 1.0 . 3.72 476 440 B 657 MET HBy B 657 MET H 1.0 . 3.72 477 441 A 657 MET H A 657 MET HG2 1.0 . 3.25 478 442 B 657 MET H B 657 MET HGx 1.0 . 3.25 479 443 A 658 MET H A 657 MET H 1.0 . 3.06 480 444 B 658 MET H B 657 MET H 1.0 . 3.06 481 445 A 657 MET HA A 657 MET H 1.0 . 3.24 482 446 B 657 MET HA B 657 MET H 1.0 . 3.24 483 447 A 657 MET H A 654 VAL HA 1.0 . 3.46 484 448 A 653 VAL HA A 657 MET H 1.0 . 0.00 485 449 B 657 MET H B 654 VAL HA 1.0 . 3.46 486 450 B 653 VAL HA B 657 MET H 1.0 . 0.00 487 451 A 657 MET H A 657 MET HG3 1.0 . 3.13 488 452 B 657 MET H B 657 MET HGy 1.0 . 3.13 489 453 A 662 THR HB A 662 THR H 1.0 . 3.02 490 454 B 662 THR HB B 662 THR H 1.0 . 3.02 491 455 A 661 GLY HA3 A 662 THR H 1.0 . 3.29 492 456 B 661 GLY HAy B 662 THR H 1.0 . 3.29 493 457 A 662 THR H A 662 THR HG1 1.0 . 3.38 494 458 B 662 THR H B 662 THR HG1 1.0 . 3.38 495 459 A 662 THR HG2% A 662 THR H 1.0 . 3.72 496 460 B 662 THR HG21 B 662 THR H 1.0 . 3.72 497 461 A 661 GLY H A 662 THR H 1.0 . 2.97 498 462 B 661 GLY H B 662 THR H 1.0 . 2.97 499 463 A 662 THR HA A 662 THR H 1.0 . 3.14 500 464 B 662 THR HA B 662 THR H 1.0 . 3.14 501 465 A 663 PHE H A 662 THR H 1.0 . 3.02 502 466 B 663 PHE H B 662 THR H 1.0 . 3.02 503 467 A 659 LEU HA A 662 THR H 1.0 . 3.63 504 468 B 659 LEU HA B 662 THR H 1.0 . 3.63 505 469 A 658 MET HA A 662 THR H 1.0 . 3.94 506 470 B 658 MET HA B 662 THR H 1.0 . 3.94 507 471 A 675 HIS H A 675 HIS HB2 1.0 . 4.31 508 471 A 675 HIS H A 675 HIS HB3 1.0 . 4.31 509 472 B 675 HIS H B 675 HIS HBx 1.0 . 4.31 510 472 B 675 HIS H B 675 HIS HBy 1.0 . 4.31 511 473 A 675 HIS H A 675 HIS HA 1.0 . 3.35 512 474 B 675 HIS H B 675 HIS HA 1.0 . 3.35 513 475 A 666 TRP HE3 A 667 ARG H 1.0 . 3.95 514 476 B 666 TRP HE3 B 667 ARG H 1.0 . 3.95 515 477 A 666 TRP HB3 A 667 ARG H 1.0 . 3.44 516 478 B 666 TRP HBy B 667 ARG H 1.0 . 3.44 517 479 A 667 ARG H A 666 TRP HA 1.0 . 3.56 518 480 B 667 ARG H B 666 TRP HA 1.0 . 3.56 519 481 A 666 TRP H A 667 ARG H 1.0 . 3.07 520 482 B 666 TRP H B 667 ARG H 1.0 . 3.07 521 483 A 667 ARG HA A 667 ARG H 1.0 . 3.04 522 484 B 667 ARG HA B 667 ARG H 1.0 . 3.04 523 485 A 663 PHE HA A 667 ARG H 1.0 . 3.90 524 486 B 663 PHE HA B 667 ARG H 1.0 . 3.90 525 487 A 667 ARG H A 667 ARG HG2 1.0 . 3.09 526 487 A 667 ARG HG3 A 667 ARG H 1.0 . 3.09 527 488 B 667 ARG H B 667 ARG HGx 1.0 . 3.09 528 488 B 667 ARG HGy B 667 ARG H 1.0 . 3.09 529 489 A 664 LEU HA A 667 ARG H 1.0 . 3.73 530 490 B 664 LEU HA B 667 ARG H 1.0 . 3.73 531 491 A 666 TRP HB2 A 667 ARG H 1.0 . 3.34 532 492 B 666 TRP HBx B 667 ARG H 1.0 . 3.34 533 493 A 671 HIS H A 668 GLY HA2 1.0 . 4.93 534 493 A 668 GLY HA3 A 671 HIS H 1.0 . 4.93 535 494 B 671 HIS H B 668 GLY HAx 1.0 . 4.93 536 494 B 668 GLY HAy B 671 HIS H 1.0 . 4.93 537 495 A 670 ARG HA A 671 HIS H 1.0 . 3.56 538 496 B 670 ARG HA B 671 HIS H 1.0 . 3.56 539 497 A 672 HIS H A 671 HIS H 1.0 . 3.71 540 498 B 672 HIS H B 671 HIS H 1.0 . 3.71 541 499 A 670 ARG HBy A 671 HIS H 1.0 . 4.68 542 500 B 670 ARG HBy B 671 HIS H 1.0 . 4.68 543 501 A 671 HIS H A 671 HIS HBy 1.0 . 3.82 544 502 B 671 HIS H B 671 HIS HBx 1.0 . 3.82 545 503 A 671 HIS H A 671 HIS HBx 1.0 . 3.56 546 504 B 671 HIS H B 671 HIS HBy 1.0 . 3.56 547 505 A 667 ARG HA A 671 HIS H 1.0 . 5.50 548 506 B 667 ARG HA B 671 HIS H 1.0 . 5.50 549 507 A 671 HIS H A 670 ARG HG2 1.0 . 4.38 550 507 A 670 ARG HG3 A 671 HIS H 1.0 . 4.38 551 508 B 671 HIS H B 670 ARG HGx 1.0 . 4.38 552 508 B 670 ARG HGy B 671 HIS H 1.0 . 4.38 553 509 A 670 ARG HBx A 671 HIS H 1.0 . 4.24 554 510 B 670 ARG HBx B 671 HIS H 1.0 . 4.24 555 511 A 671 HIS H A 671 HIS HA 1.0 . 3.67 556 512 B 671 HIS H B 671 HIS HA 1.0 . 3.67 557 513 A 652 LEU HB2 A 652 LEU H 1.0 . 3.52 558 514 B 652 LEU HBx B 652 LEU H 1.0 . 3.52 559 515 A 652 LEU H A 651 GLY HA2 1.0 . 3.44 560 515 A 651 GLY HA3 A 652 LEU H 1.0 . 3.44 561 516 B 652 LEU H B 651 GLY HAx 1.0 . 3.44 562 516 B 651 GLY HAy B 652 LEU H 1.0 . 3.44 563 517 A 652 LEU HA A 652 LEU H 1.0 . 3.49 564 518 B 652 LEU HA B 652 LEU H 1.0 . 3.49 565 519 A 652 LEU H A 652 LEU HB3 1.0 . 3.68 566 520 B 652 LEU H B 652 LEU HBy 1.0 . 3.68 567 521 A 652 LEU H A 652 LEU HDy% 1.0 . 3.26 568 522 B 652 LEU H B 652 LEU HD21 1.0 . 3.26 569 523 A 668 GLY H A 668 GLY HA2 1.0 . 2.91 570 523 A 668 GLY HA3 A 668 GLY H 1.0 . 2.91 571 524 B 668 GLY H B 668 GLY HAx 1.0 . 2.91 572 524 B 668 GLY HAy B 668 GLY H 1.0 . 2.91 573 525 A 667 ARG HBy A 668 GLY H 1.0 . 3.64 574 526 B 667 ARG HBx B 668 GLY H 1.0 . 3.64 575 527 A 669 ARG H A 668 GLY H 1.0 . 3.08 576 528 B 669 ARG H B 668 GLY H 1.0 . 3.08 577 529 A 667 ARG HA A 668 GLY H 1.0 . 3.58 578 530 B 667 ARG HA B 668 GLY H 1.0 . 3.58 579 531 A 667 ARG H A 668 GLY H 1.0 . 3.19 580 532 B 667 ARG H B 668 GLY H 1.0 . 3.19 581 533 A 665 TYR HA A 668 GLY H 1.0 . 3.95 582 534 B 665 TYR HA B 668 GLY H 1.0 . 3.95 583 535 A 667 ARG HBx A 668 GLY H 1.0 . 3.47 584 536 B 667 ARG HBy B 668 GLY H 1.0 . 3.47 585 537 A 653 VAL HGx% A 654 VAL H 1.0 . 2.98 586 538 B 653 VAL HG11 B 654 VAL H 1.0 . 2.98 587 539 A 653 VAL H A 654 VAL H 1.0 . 2.90 588 540 B 653 VAL H B 654 VAL H 1.0 . 2.90 589 541 A 653 VAL HA A 654 VAL H 1.0 . 3.44 590 542 A 654 VAL H A 651 GLY HA2 1.0 . 0.00 591 542 A 651 GLY HA3 A 654 VAL H 1.0 . 0.00 592 543 B 653 VAL HA B 654 VAL H 1.0 . 3.44 593 544 B 654 VAL H B 651 GLY HAx 1.0 . 0.00 594 544 B 651 GLY HAy B 654 VAL H 1.0 . 0.00 595 545 A 654 VAL HB A 654 VAL H 1.0 . 2.75 596 546 B 654 VAL HB B 654 VAL H 1.0 . 2.75 597 547 A 654 VAL H A 654 VAL HGy% 1.0 . 2.57 598 548 B 654 VAL H B 654 VAL HG21 1.0 . 2.57 599 549 A 654 VAL H A 654 VAL HA 1.0 . 3.01 600 550 B 654 VAL H B 654 VAL HA 1.0 . 3.01 601 551 A 650 ALA HA A 654 VAL H 1.0 . 4.24 602 552 B 650 ALA HA B 654 VAL H 1.0 . 4.24 603 553 A 638 GLY H A 637 MET HA 1.0 . 3.83 604 554 B 638 GLY H B 637 MET HA 1.0 . 3.83 605 555 A 638 GLY H A 637 MET HBy 1.0 . 4.90 606 556 B 638 GLY H B 637 MET HBx 1.0 . 4.90 607 557 A 638 GLY H A 638 GLY HA2 1.0 . 3.70 608 557 A 638 GLY HA3 A 638 GLY H 1.0 . 3.70 609 558 B 638 GLY H B 638 GLY HAx 1.0 . 3.70 610 558 B 638 GLY HAy B 638 GLY H 1.0 . 3.70 611 559 A 664 LEU HB3 A 664 LEU HDy% 1.0 . 3.16 612 560 B 664 LEU HBy B 664 LEU HD21 1.0 . 3.16 613 561 A 664 LEU HB3 A 664 LEU HDx% 1.0 . 3.23 614 562 B 664 LEU HBy B 664 LEU HD11 1.0 . 3.23 615 563 A 664 LEU HDy% A 664 LEU HG 1.0 . 2.84 616 564 B 664 LEU HD21 B 664 LEU HG 1.0 . 2.84 617 565 A 664 LEU HDx% A 664 LEU HG 1.0 . 2.87 618 566 B 664 LEU HD11 B 664 LEU HG 1.0 . 2.87 619 567 A 664 LEU HA A 664 LEU HDx% 1.0 . 3.70 620 568 B 664 LEU HA B 664 LEU HD11 1.0 . 3.70 621 569 A 662 THR HG2% A 662 THR HA 1.0 . 3.48 622 570 B 662 THR HG21 B 662 THR HA 1.0 . 3.48 623 571 A 659 LEU HB3 A 659 LEU HDx% 1.0 . 3.15 624 572 B 659 LEU HBy B 659 LEU HD11 1.0 . 3.15 625 573 A 659 LEU HDy% A 659 LEU HB3 1.0 . 3.24 626 574 B 659 LEU HD21 B 659 LEU HBy 1.0 . 3.24 627 575 A 659 LEU HDx% A 659 LEU HG 1.0 . 3.10 628 576 B 659 LEU HD11 B 659 LEU HG 1.0 . 3.10 629 577 A 659 LEU HDy% A 659 LEU HG 1.0 . 2.86 630 578 B 659 LEU HD21 B 659 LEU HG 1.0 . 2.86 631 579 A 659 LEU HA A 659 LEU HDy% 1.0 . 3.10 632 580 B 659 LEU HA B 659 LEU HD21 1.0 . 3.10 633 581 A 659 LEU HA A 659 LEU HDx% 1.0 . 3.72 634 582 B 659 LEU HA B 659 LEU HD11 1.0 . 3.72 635 583 A 655 ILE HG2% A 655 ILE HG12 1.0 . 3.43 636 584 B 655 ILE HG21 B 655 ILE HG1x 1.0 . 3.43 637 585 A 655 ILE HG12 A 655 ILE HD1% 1.0 . 2.86 638 586 B 655 ILE HG1x B 655 ILE HD11 1.0 . 2.86 639 587 A 655 ILE HG13 A 655 ILE HD1% 1.0 . 2.92 640 588 B 655 ILE HG1y B 655 ILE HD11 1.0 . 2.92 641 589 A 655 ILE HA A 655 ILE HD1% 1.0 . 3.91 642 590 B 655 ILE HA B 655 ILE HD11 1.0 . 3.91 643 591 A 655 ILE HG2% A 655 ILE HB 1.0 . 3.28 644 592 B 655 ILE HG21 B 655 ILE HB 1.0 . 3.28 645 593 A 655 ILE HB A 655 ILE HD1% 1.0 . 3.20 646 594 B 655 ILE HB B 655 ILE HD11 1.0 . 3.20 647 595 A 655 ILE HG2% A 655 ILE HA 1.0 . 3.55 648 596 B 655 ILE HG21 B 655 ILE HA 1.0 . 3.55 649 597 A 654 VAL HGx% A 654 VAL HB 1.0 . 2.88 650 598 B 654 VAL HG11 B 654 VAL HB 1.0 . 2.88 651 599 A 654 VAL HB A 654 VAL HGy% 1.0 . 3.00 652 600 B 654 VAL HB B 654 VAL HG21 1.0 . 3.00 653 601 A 653 VAL HGx% A 657 MET HE% 1.0 . 2.72 654 602 B 653 VAL HG11 B 657 MET HE1 1.0 . 2.72 655 603 A 653 VAL HGx% A 657 MET HG3 1.0 . 3.68 656 604 B 653 VAL HG11 B 657 MET HGy 1.0 . 3.68 657 605 A 653 VAL HGx% A 657 MET HG2 1.0 . 3.69 658 606 B 653 VAL HG11 B 657 MET HGx 1.0 . 3.69 659 607 A 653 VAL HGx% A 653 VAL HB 1.0 . 3.04 660 608 B 653 VAL HG11 B 653 VAL HB 1.0 . 3.04 661 609 A 648 VAL HGx% A 648 VAL HB 1.0 . 3.05 662 610 B 648 VAL HG11 B 648 VAL HB 1.0 . 3.05 663 611 A 648 VAL HGx% A 652 LEU HG 1.0 . 3.63 664 612 B 648 VAL HG11 B 652 LEU HG 1.0 . 3.63 665 613 A 654 VAL HGx% A 658 MET HE% 1.0 . 2.85 666 614 B 654 VAL HG11 B 658 MET HE1 1.0 . 2.85 667 615 A 655 ILE HA A 658 MET HE% 1.0 . 3.45 668 616 B 655 ILE HA B 658 MET HE1 1.0 . 3.45 669 617 A 655 ILE HG2% A 659 LEU HG 1.0 . 3.40 670 618 B 655 ILE HG21 B 659 LEU HG 1.0 . 3.40 671 619 A 654 VAL HGy% A 657 MET HE% 1.0 . 3.18 672 620 B 654 VAL HG21 B 657 MET HE1 1.0 . 3.18 673 621 A 658 MET HB2 A 659 LEU HDy% 1.0 . 4.09 674 622 B 658 MET HBx B 659 LEU HD21 1.0 . 4.09 675 623 A 659 LEU HDy% A 663 PHE HD% 1.0 . 4.41 676 624 B 659 LEU HD21 B 663 PHE HD% 1.0 . 4.41 677 625 A 653 VAL HGy% A 649 ILE HG2% 1.0 . 3.02 678 626 B 653 VAL HG21 B 649 ILE HG21 1.0 . 3.02 679 627 A 650 ALA HA A 649 ILE HG2% 1.0 . 3.88 680 628 B 650 ALA HA B 649 ILE HG21 1.0 . 3.88 681 629 A 649 ILE HG2% A 649 ILE HG13 1.0 . 3.51 682 630 B 649 ILE HG21 B 649 ILE HG1y 1.0 . 3.51 683 631 A 649 ILE HG2% A 649 ILE HB 1.0 . 3.13 684 632 B 649 ILE HG21 B 649 ILE HB 1.0 . 3.13 685 633 A 640 THR HG2% A 640 THR HG1 1.0 . 3.13 686 634 B 640 THR HG21 B 640 THR HG1 1.0 . 3.13 687 635 A 640 THR HA A 640 THR HG2% 1.0 . 2.98 688 636 A 640 THR HG2% A 640 THR HB 1.0 . 0.00 689 637 B 640 THR HA B 640 THR HG21 1.0 . 2.98 690 638 B 640 THR HG21 B 640 THR HB 1.0 . 0.00 691 639 A 646 LEU HG A 646 LEU HDx% 1.0 . 3.00 692 640 B 646 LEU HG B 646 LEU HD11 1.0 . 3.00 693 641 A 646 LEU HA A 646 LEU HDx% 1.0 . 3.99 694 642 B 646 LEU HA B 646 LEU HD11 1.0 . 3.99 695 643 A 643 THR HG2% A 646 LEU HDx% 1.0 . 3.68 696 644 B 643 THR HG21 B 646 LEU HD11 1.0 . 3.68 697 645 A 646 LEU HB3 A 646 LEU HDx% 1.0 . 3.40 698 646 B 646 LEU HBy B 646 LEU HD11 1.0 . 3.40 699 647 A 653 VAL HGx% A 650 ALA HA 1.0 . 3.98 700 648 B 653 VAL HG11 B 650 ALA HA 1.0 . 3.98 701 649 A 653 VAL HGy% A 653 VAL HB 1.0 . 3.31 702 650 B 653 VAL HG21 B 653 VAL HB 1.0 . 3.31 703 651 A 664 LEU HDy% A 663 PHE HD% 1.0 . 3.56 704 652 B 664 LEU HD21 B 663 PHE HD% 1.0 . 3.56 705 653 A 664 LEU HDy% A 667 ARG HD2 1.0 . 3.89 706 653 A 664 LEU HDy% A 667 ARG HD3 1.0 . 3.89 707 654 B 664 LEU HD21 B 667 ARG HDx 1.0 . 3.89 708 654 B 664 LEU HD21 B 667 ARG HDy 1.0 . 3.89 709 655 A 652 LEU HB2 A 652 LEU HDx% 1.0 . 3.20 710 656 B 652 LEU HBx B 652 LEU HD11 1.0 . 3.20 711 657 A 652 LEU HDx% A 652 LEU HA 1.0 . 3.89 712 658 B 652 LEU HD11 B 652 LEU HA 1.0 . 3.89 713 659 A 652 LEU HDx% A 652 LEU HB3 1.0 . 3.34 714 660 B 652 LEU HD11 B 652 LEU HBy 1.0 . 3.34 715 661 A 652 LEU HDx% A 652 LEU HG 1.0 . 2.95 716 662 B 652 LEU HD11 B 652 LEU HG 1.0 . 2.95 717 663 A 652 LEU HDx% A 649 ILE HA 1.0 . 3.48 718 664 B 652 LEU HD11 B 649 ILE HA 1.0 . 3.48 719 665 A 650 ALA HB% A 651 GLY HA2 1.0 . 4.03 720 665 A 650 ALA HB% A 651 GLY HA3 1.0 . 4.03 721 666 B 650 ALA HB1 B 651 GLY HAx 1.0 . 4.03 722 666 B 650 ALA HB1 B 651 GLY HAy 1.0 . 4.03 723 667 A 649 ILE HG2% A 650 ALA HB% 1.0 . 3.98 724 668 B 649 ILE HG21 B 650 ALA HB1 1.0 . 3.98 725 669 A 647 THR HA A 650 ALA HB% 1.0 . 3.65 726 670 B 647 THR HA B 650 ALA HB1 1.0 . 3.65 727 671 A 650 ALA HB% A 649 ILE HB 1.0 . 4.00 728 672 B 650 ALA HB1 B 649 ILE HB 1.0 . 4.00 729 673 A 645 ALA HA A 648 VAL HGy% 1.0 . 3.51 730 674 B 645 ALA HA B 648 VAL HG21 1.0 . 3.51 731 675 A 648 VAL HB A 648 VAL HGy% 1.0 . 2.91 732 676 B 648 VAL HB B 648 VAL HG21 1.0 . 2.91 733 677 A 654 VAL HB A 655 ILE HD1% 1.0 . 4.38 734 678 B 654 VAL HB B 655 ILE HD11 1.0 . 4.38 735 679 A 652 LEU HB2 A 652 LEU HDy% 1.0 . 3.29 736 680 B 652 LEU HBx B 652 LEU HD21 1.0 . 3.29 737 681 A 652 LEU HA A 652 LEU HDy% 1.0 . 3.08 738 682 B 652 LEU HA B 652 LEU HD21 1.0 . 3.08 739 683 A 652 LEU HB3 A 652 LEU HDy% 1.0 . 3.30 740 684 B 652 LEU HBy B 652 LEU HD21 1.0 . 3.30 741 685 A 652 LEU HDy% A 652 LEU HG 1.0 . 3.00 742 686 B 652 LEU HD21 B 652 LEU HG 1.0 . 3.00 743 687 A 643 THR HA A 643 THR HG2% 1.0 . 3.49 744 688 B 643 THR HA B 643 THR HG21 1.0 . 3.49 745 689 A 643 THR HG2% A 643 THR HG1 1.0 . 3.17 746 690 B 643 THR HG21 B 643 THR HG1 1.0 . 3.17 747 691 A 646 LEU HG A 646 LEU HDy% 1.0 . 2.87 748 692 B 646 LEU HG B 646 LEU HD21 1.0 . 2.87 749 693 A 646 LEU HB3 A 646 LEU HDy% 1.0 . 3.21 750 694 B 646 LEU HBy B 646 LEU HD21 1.0 . 3.21 751 695 A 662 THR HG2% A 665 TYR HD% 1.0 . 4.41 752 696 B 662 THR HG21 B 665 TYR HD% 1.0 . 4.41 753 697 A 662 THR HG2% A 666 TRP HD1 1.0 . 4.03 754 698 B 662 THR HG21 B 666 TRP HD1 1.0 . 4.03 755 699 A 662 THR HG2% A 666 TRP HB2 1.0 . 4.50 756 700 B 662 THR HG21 B 666 TRP HBx 1.0 . 4.50 757 701 A 664 LEU HDx% A 661 GLY HA2 1.0 . 3.87 758 702 B 664 LEU HD11 B 661 GLY HAx 1.0 . 3.87 759 703 A 650 ALA HB% A 654 VAL HGy% 1.0 . 3.40 760 704 B 650 ALA HB1 B 654 VAL HG21 1.0 . 3.40 761 705 A 654 VAL HGx% A 658 MET HG3 1.0 . 3.68 762 706 B 654 VAL HG11 B 658 MET HGy 1.0 . 3.68 763 707 A 645 ALA HB% A 649 ILE HD1% 1.0 . 3.55 764 708 B 645 ALA HB1 B 649 ILE HD11 1.0 . 3.55 765 709 A 649 ILE HG12 A 649 ILE HD1% 1.0 . 2.85 766 710 B 649 ILE HG1x B 649 ILE HD11 1.0 . 2.85 767 711 A 649 ILE HA A 649 ILE HD1% 1.0 . 3.98 768 712 B 649 ILE HA B 649 ILE HD11 1.0 . 3.98 769 713 A 649 ILE HG13 A 649 ILE HD1% 1.0 . 2.95 770 714 B 649 ILE HG1y B 649 ILE HD11 1.0 . 2.95 771 715 A 649 ILE HB A 649 ILE HD1% 1.0 . 3.16 772 716 B 649 ILE HB B 649 ILE HD11 1.0 . 3.16 773 717 A 646 LEU HG A 642 LEU HDy% 1.0 . 3.21 774 718 B 646 LEU HG B 642 LEU HD21 1.0 . 3.21 775 719 A 642 LEU HG A 642 LEU HDy% 1.0 . 2.90 776 720 B 642 LEU HG B 642 LEU HD21 1.0 . 2.90 777 721 A 645 ALA HB% A 642 LEU HDy% 1.0 . 3.26 778 722 B 645 ALA HB1 B 642 LEU HD21 1.0 . 3.26 779 723 A 642 LEU HDy% A 641 HIS HE1 1.0 . 4.07 780 724 B 642 LEU HD21 B 641 HIS HE1 1.0 . 4.07 781 725 A 642 LEU HDy% A 642 LEU HB3 1.0 . 2.99 782 725 A 642 LEU HDy% A 642 LEU HB2 1.0 . 2.99 783 726 B 642 LEU HD21 B 642 LEU HBy 1.0 . 2.99 784 726 B 642 LEU HD21 B 642 LEU HBx 1.0 . 2.99 785 727 A 642 LEU HA A 642 LEU HDy% 1.0 . 3.11 786 728 B 642 LEU HA B 642 LEU HD21 1.0 . 3.11 787 729 A 642 LEU HDx% A 642 LEU HG 1.0 . 2.95 788 730 B 642 LEU HD11 B 642 LEU HG 1.0 . 2.95 789 731 A 642 LEU HDx% A 642 LEU HB3 1.0 . 2.94 790 731 A 642 LEU HDx% A 642 LEU HB2 1.0 . 2.94 791 732 B 642 LEU HD11 B 642 LEU HBy 1.0 . 2.94 792 732 B 642 LEU HD11 B 642 LEU HBx 1.0 . 2.94 793 733 A 642 LEU HA A 642 LEU HDx% 1.0 . 3.95 794 734 B 642 LEU HA B 642 LEU HD11 1.0 . 3.95 795 735 A 642 LEU HDx% A 639 ARG HA 1.0 . 4.08 796 736 B 642 LEU HD11 B 639 ARG HA 1.0 . 4.08 797 737 A 647 THR HG2% A 647 THR HG1 1.0 . 3.27 798 738 B 647 THR HG21 B 647 THR HG1 1.0 . 3.27 799 739 A 647 THR HA A 647 THR HG2% 1.0 . 3.20 800 740 B 647 THR HA B 647 THR HG21 1.0 . 3.20 801 741 A 641 HIS HA A 641 HIS HB2 1.0 . 3.25 802 742 B 641 HIS HA B 641 HIS HBx 1.0 . 3.25 803 743 A 664 LEU HA A 667 ARG HBy 1.0 . 3.75 804 744 B 664 LEU HA B 667 ARG HBx 1.0 . 3.75 805 745 A 664 LEU HB3 A 664 LEU HA 1.0 . 2.97 806 746 B 664 LEU HBy B 664 LEU HA 1.0 . 2.97 807 747 A 667 ARG HA A 667 ARG HG2 1.0 . 3.20 808 747 A 667 ARG HA A 667 ARG HG3 1.0 . 3.20 809 748 B 667 ARG HA B 667 ARG HGx 1.0 . 3.20 810 748 B 667 ARG HA B 667 ARG HGy 1.0 . 3.20 811 749 A 667 ARG HA A 667 ARG HBx 1.0 . 2.95 812 750 B 667 ARG HA B 667 ARG HBy 1.0 . 2.95 813 751 A 655 ILE HA A 655 ILE HB 1.0 . 3.55 814 752 B 655 ILE HA B 655 ILE HB 1.0 . 3.55 815 753 A 653 VAL HA A 653 VAL HB 1.0 . 3.58 816 754 B 653 VAL HA B 653 VAL HB 1.0 . 3.58 817 755 A 654 VAL HB A 654 VAL HA 1.0 . 3.35 818 756 B 654 VAL HB B 654 VAL HA 1.0 . 3.35 819 757 A 662 THR HA A 662 THR HB 1.0 . 3.42 820 758 B 662 THR HA B 662 THR HB 1.0 . 3.42 821 759 A 643 THR HA A 643 THR HB 1.0 . 3.27 822 760 B 643 THR HA B 643 THR HB 1.0 . 3.27 823 761 A 647 THR HA A 647 THR HB 1.0 . 3.13 824 762 B 647 THR HA B 647 THR HB 1.0 . 3.13 825 763 A 662 THR HG2% A 662 THR HB 1.0 . 2.90 826 764 B 662 THR HG21 B 662 THR HB 1.0 . 2.90 827 765 A 653 VAL HGy% A 650 ALA HA 1.0 . 3.45 828 766 B 653 VAL HG21 B 650 ALA HA 1.0 . 3.45 829 767 A 650 ALA HA A 653 VAL HB 1.0 . 3.69 830 768 B 650 ALA HA B 653 VAL HB 1.0 . 3.69 831 769 A 650 ALA HA A 650 ALA HB% 1.0 . 2.96 832 770 B 650 ALA HA B 650 ALA HB1 1.0 . 2.96 833 771 A 643 THR HB A 643 THR HG2% 1.0 . 2.74 834 772 B 643 THR HB B 643 THR HG21 1.0 . 2.74 835 773 A 659 LEU HA A 662 THR HB 1.0 . 3.39 836 774 B 659 LEU HA B 662 THR HB 1.0 . 3.39 837 775 A 659 LEU HB2 A 659 LEU HA 1.0 . 3.21 838 776 B 659 LEU HBx B 659 LEU HA 1.0 . 3.21 839 777 A 652 LEU HDy% A 651 GLY HA2 1.0 . 4.27 840 777 A 651 GLY HA3 A 652 LEU HDy% 1.0 . 4.27 841 778 B 652 LEU HD21 B 651 GLY HAx 1.0 . 4.27 842 778 B 651 GLY HAy B 652 LEU HD21 1.0 . 4.27 843 779 A 664 LEU HDy% A 664 LEU HA 1.0 . 2.61 844 780 B 664 LEU HD21 B 664 LEU HA 1.0 . 2.61 845 781 A 648 VAL HB A 648 VAL HA 1.0 . 3.41 846 782 B 648 VAL HB B 648 VAL HA 1.0 . 3.41 847 783 A 648 VAL HGy% A 648 VAL HA 1.0 . 2.71 848 784 B 648 VAL HG21 B 648 VAL HA 1.0 . 2.71 849 785 A 648 VAL HGx% A 648 VAL HA 1.0 . 2.83 850 786 B 648 VAL HG11 B 648 VAL HA 1.0 . 2.83 851 787 A 648 VAL HA A 647 THR HG2% 1.0 . 3.46 852 788 B 648 VAL HA B 647 THR HG21 1.0 . 3.46 853 789 A 663 PHE HA A 666 TRP HB2 1.0 . 3.61 854 790 B 663 PHE HA B 666 TRP HBx 1.0 . 3.61 855 791 A 644 MET HBy A 641 HIS HA 1.0 . 3.99 856 792 B 644 MET HBx B 641 HIS HA 1.0 . 3.99 857 793 A 643 THR HA A 646 LEU HB3 1.0 . 4.20 858 794 B 643 THR HA B 646 LEU HBy 1.0 . 4.20 859 795 A 640 THR HG2% A 640 THR HB 1.0 . 2.54 860 796 B 640 THR HG21 B 640 THR HB 1.0 . 2.54 861 797 A 645 ALA HA A 648 VAL HB 1.0 . 3.63 862 798 B 645 ALA HA B 648 VAL HB 1.0 . 3.63 863 799 A 645 ALA HA A 645 ALA HB% 1.0 . 2.60 864 800 B 645 ALA HA B 645 ALA HB1 1.0 . 2.60 865 801 A 666 TRP HA A 669 ARG HG2 1.0 . 3.82 866 801 A 669 ARG HG3 A 666 TRP HA 1.0 . 3.82 867 802 B 666 TRP HA B 669 ARG HGx 1.0 . 3.82 868 802 B 669 ARG HGy B 666 TRP HA 1.0 . 3.82 869 803 A 669 ARG HBx A 666 TRP HA 1.0 . 3.63 870 804 B 669 ARG HBy B 666 TRP HA 1.0 . 3.63 871 805 A 655 ILE HB A 652 LEU HA 1.0 . 4.30 872 806 B 655 ILE HB B 652 LEU HA 1.0 . 4.30 873 807 A 652 LEU HA A 652 LEU HG 1.0 . 3.45 874 808 B 652 LEU HA B 652 LEU HG 1.0 . 3.45 875 809 A 652 LEU HA A 655 ILE HD1% 1.0 . 2.70 876 810 B 652 LEU HA B 655 ILE HD11 1.0 . 2.70 877 811 A 656 PHE H A 653 VAL HA 1.0 . 3.52 878 812 B 656 PHE H B 653 VAL HA 1.0 . 3.52 879 813 A 653 VAL HA A 653 VAL HGx% 1.0 . 2.90 880 814 B 653 VAL HA B 653 VAL HG11 1.0 . 2.90 881 815 A 653 VAL HA A 653 VAL HGy% 1.0 . 2.85 882 816 B 653 VAL HA B 653 VAL HG21 1.0 . 2.85 883 817 A 649 ILE HA A 649 ILE HG13 1.0 . 3.63 884 818 B 649 ILE HA B 649 ILE HG1y 1.0 . 3.63 885 819 A 649 ILE HG2% A 649 ILE HA 1.0 . 3.26 886 820 B 649 ILE HG21 B 649 ILE HA 1.0 . 3.26 887 821 A 649 ILE HA A 649 ILE HG12 1.0 . 3.51 888 822 B 649 ILE HA B 649 ILE HG1x 1.0 . 3.51 889 823 A 656 PHE HA A 659 LEU HDx% 1.0 . 3.53 890 824 B 656 PHE HA B 659 LEU HD11 1.0 . 3.53 891 825 A 656 PHE HA A 659 LEU HB2 1.0 . 4.15 892 826 B 656 PHE HA B 659 LEU HBx 1.0 . 4.15 893 827 A 644 MET HA A 647 THR HB 1.0 . 3.34 894 828 B 644 MET HA B 647 THR HB 1.0 . 3.34 895 829 A 640 THR HA A 640 THR HG2% 1.0 . 3.10 896 830 B 640 THR HA B 640 THR HG21 1.0 . 3.10 897 831 A 639 ARG HA A 639 ARG HG2 1.0 . 3.02 898 831 A 639 ARG HA A 639 ARG HG3 1.0 . 3.02 899 832 B 639 ARG HA B 639 ARG HGx 1.0 . 3.02 900 832 B 639 ARG HA B 639 ARG HGy 1.0 . 3.02 901 833 A 639 ARG HA A 642 LEU HB2 1.0 . 3.71 902 834 B 639 ARG HA B 642 LEU HBx 1.0 . 3.71 903 835 A 655 ILE HA A 654 VAL HGx% 1.0 . 3.58 904 836 B 655 ILE HA B 654 VAL HG11 1.0 . 3.58 905 837 A 658 MET HB2 A 655 ILE HA 1.0 . 3.52 906 838 B 658 MET HBx B 655 ILE HA 1.0 . 3.52 907 839 A 647 THR HB A 648 VAL HGy% 1.0 . 3.83 908 840 B 647 THR HB B 648 VAL HG21 1.0 . 3.83 909 841 A 647 THR HB A 647 THR HG2% 1.0 . 3.01 910 842 B 647 THR HB B 647 THR HG21 1.0 . 3.01 911 843 A 646 LEU HA A 649 ILE HD1% 1.0 . 3.24 912 844 B 646 LEU HA B 649 ILE HD11 1.0 . 3.24 913 845 A 649 ILE HB A 646 LEU HA 1.0 . 2.96 914 846 B 649 ILE HB B 646 LEU HA 1.0 . 2.96 915 847 A 646 LEU HA A 646 LEU HDy% 1.0 . 2.80 916 848 B 646 LEU HA B 646 LEU HD21 1.0 . 2.80 917 849 A 645 ALA HB% A 642 LEU HA 1.0 . 3.33 918 850 B 645 ALA HB1 B 642 LEU HA 1.0 . 3.33 919 851 A 642 LEU HA A 642 LEU HG 1.0 . 3.47 920 852 B 642 LEU HA B 642 LEU HG 1.0 . 3.47 921 853 A 657 MET HB3 A 654 VAL HA 1.0 . 4.63 922 854 B 657 MET HBy B 654 VAL HA 1.0 . 4.63 923 855 A 654 VAL HGx% A 654 VAL HA 1.0 . 2.88 924 856 B 654 VAL HG11 B 654 VAL HA 1.0 . 2.88 925 857 A 657 MET HB2 A 654 VAL HA 1.0 . 3.67 926 858 B 657 MET HBx B 654 VAL HA 1.0 . 3.67 927 859 A 654 VAL HA A 657 MET HE% 1.0 . 3.70 928 860 B 654 VAL HA B 657 MET HE1 1.0 . 3.70 929 861 A 654 VAL HA A 654 VAL HGy% 1.0 . 2.84 930 862 B 654 VAL HA B 654 VAL HG21 1.0 . 2.84 931 863 B 656 PHE HA A 659 LEU HDx% 1.0 . 3.50 932 864 A 656 PHE HA B 659 LEU HD11 1.0 . 3.50 933 865 A 652 LEU HDx% B 656 PHE HE% 1.0 . 2.50 934 865 A 652 LEU HDx% B 656 PHE HD% 1.0 . 2.50 935 866 A 659 LEU HDx% B 656 PHE HE% 1.0 . 0.00 936 866 A 659 LEU HDx% B 656 PHE HD% 1.0 . 0.00 937 867 B 652 LEU HD11 A 656 PHE HE% 1.0 . 2.50 938 867 B 652 LEU HD11 A 656 PHE HD% 1.0 . 2.50 939 868 B 659 LEU HD11 A 656 PHE HE% 1.0 . 0.00 940 868 B 659 LEU HD11 A 656 PHE HD% 1.0 . 0.00 941 869 A 652 LEU HDy% B 656 PHE HE% 1.0 . 3.00 942 869 A 652 LEU HDy% B 656 PHE HD% 1.0 . 3.00 943 870 B 652 LEU HD21 A 656 PHE HE% 1.0 . 3.00 944 870 B 652 LEU HD21 A 656 PHE HD% 1.0 . 3.00 945 871 B 653 VAL HG21 A 652 LEU HDx% 1.0 . 3.50 946 872 A 653 VAL HGy% B 652 LEU HD11 1.0 . 3.50 947 873 B 653 VAL HA A 652 LEU HDx% 1.0 . 3.50 948 874 A 653 VAL HA B 652 LEU HD11 1.0 . 3.50 949 875 B 652 LEU HD11 A 649 ILE HG2% 1.0 . 3.00 950 876 A 652 LEU HDx% B 649 ILE HG21 1.0 . 3.00 951 877 A 649 ILE HD1% B 649 ILE HD11 1.0 . 3.00 952 878 A 649 ILE HD1% B 649 ILE HD11 1.0 . 3.00 953 879 A 655 ILE HD1% B 656 PHE HE% 1.0 . 3.00 954 879 A 655 ILE HD1% B 656 PHE HD% 1.0 . 3.00 955 880 B 655 ILE HD11 A 656 PHE HE% 1.0 . 3.00 956 880 B 655 ILE HD11 A 656 PHE HD% 1.0 . 3.00 957 881 A 653 VAL HGy% B 652 LEU HD21 1.0 . 2.50 958 882 A 653 VAL HGy% B 652 LEU HD11 1.0 . 0.00 959 883 B 653 VAL HG21 A 652 LEU HDy% 1.0 . 2.50 960 884 B 653 VAL HG21 A 652 LEU HDx% 1.0 . 0.00 961 885 A 664 LEU HDy% B 663 PHE HE% 1.0 . 3.00 962 886 B 664 LEU HD21 A 663 PHE HE% 1.0 . 3.00 963 887 B 663 PHE HD% A 667 ARG HD2 1.0 . 3.00 964 887 A 667 ARG HD3 B 663 PHE HE% 1.0 . 3.00 965 887 B 663 PHE HE% A 667 ARG HD2 1.0 . 3.00 966 887 A 667 ARG HD3 B 663 PHE HD% 1.0 . 3.00 967 888 B 667 ARG HDy A 663 PHE HE% 1.0 . 3.00 968 888 A 663 PHE HD% B 667 ARG HDx 1.0 . 3.00 969 888 B 667 ARG HDy A 663 PHE HD% 1.0 . 3.00 970 888 A 663 PHE HE% B 667 ARG HDx 1.0 . 3.00 971 889 B 663 PHE HE% A 667 ARG HH1% 1.0 . 2.50 972 889 B 663 PHE HD% A 667 ARG HH1% 1.0 . 2.50 973 890 B 663 PHE HE% A 667 ARG HH2% 1.0 . 0.00 974 890 B 663 PHE HD% A 667 ARG HH2% 1.0 . 0.00 975 891 A 663 PHE HE% B 667 ARG HH1% 1.0 . 2.50 976 891 A 663 PHE HD% B 667 ARG HH1% 1.0 . 2.50 977 892 A 663 PHE HE% B 667 ARG HH2% 1.0 . 0.00 978 892 A 663 PHE HD% B 667 ARG HH2% 1.0 . 0.00 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 641 HIS C A 642 LEU N A 642 LEU CA A 642 LEU C 1.0 -72.7 -52.7 PHI 2 2 A 642 LEU C A 643 THR N A 643 THR CA A 643 THR C 1.0 -71.2 -51.2 PHI 3 3 A 643 THR C A 644 MET N A 644 MET CA A 644 MET C 1.0 -73.8 -53.8 PHI 4 4 A 644 MET C A 645 ALA N A 645 ALA CA A 645 ALA C 1.0 -73.0 -53.0 PHI 5 5 A 645 ALA C A 646 LEU N A 646 LEU CA A 646 LEU C 1.0 -70.5 -50.5 PHI 6 6 A 646 LEU C A 647 THR N A 647 THR CA A 647 THR C 1.0 -70.9 -50.9 PHI 7 7 A 647 THR C A 648 VAL N A 648 VAL CA A 648 VAL C 1.0 -76.3 -56.3 PHI 8 8 A 648 VAL C A 649 ILE N A 649 ILE CA A 649 ILE C 1.0 -74.3 -54.3 PHI 9 9 A 649 ILE C A 650 ALA N A 650 ALA CA A 650 ALA C 1.0 -72.6 -52.6 PHI 10 10 A 650 ALA C A 651 GLY N A 651 GLY CA A 651 GLY C 1.0 -75.2 -54.0 PHI 11 11 A 651 GLY C A 652 LEU N A 652 LEU CA A 652 LEU C 1.0 -72.1 -52.1 PHI 12 12 A 652 LEU C A 653 VAL N A 653 VAL CA A 653 VAL C 1.0 -72.8 -52.8 PHI 13 13 A 653 VAL C A 654 VAL N A 654 VAL CA A 654 VAL C 1.0 -75.2 -55.2 PHI 14 14 A 654 VAL C A 655 ILE N A 655 ILE CA A 655 ILE C 1.0 -73.4 -53.4 PHI 15 15 A 655 ILE C A 656 PHE N A 656 PHE CA A 656 PHE C 1.0 -73.7 -53.7 PHI 16 16 A 656 PHE C A 657 MET N A 657 MET CA A 657 MET C 1.0 -70.6 -50.6 PHI 17 17 A 657 MET C A 658 MET N A 658 MET CA A 658 MET C 1.0 -73.8 -53.8 PHI 18 18 A 658 MET C A 659 LEU N A 659 LEU CA A 659 LEU C 1.0 -75.2 -55.2 PHI 19 19 A 659 LEU C A 660 GLY N A 660 GLY CA A 660 GLY C 1.0 -72.7 -51.5 PHI 20 20 A 660 GLY C A 661 GLY N A 661 GLY CA A 661 GLY C 1.0 -72.6 -51.4 PHI 21 21 A 661 GLY C A 662 THR N A 662 THR CA A 662 THR C 1.0 -73.0 -53.0 PHI 22 22 A 662 THR C A 663 PHE N A 663 PHE CA A 663 PHE C 1.0 -73.5 -53.5 PHI 23 23 A 663 PHE C A 664 LEU N A 664 LEU CA A 664 LEU C 1.0 -71.5 -51.5 PHI 24 24 A 664 LEU C A 665 TYR N A 665 TYR CA A 665 TYR C 1.0 -71.4 -51.4 PHI 25 25 A 665 TYR C A 666 TRP N A 666 TRP CA A 666 TRP C 1.0 -75.3 -55.4 PHI 26 26 A 666 TRP C A 667 ARG N A 667 ARG CA A 667 ARG C 1.0 -85.1 -45.1 PHI 27 27 A 642 LEU N A 642 LEU CA A 642 LEU C A 643 THR N 1.0 -53.0 -31.0 PSI 28 28 A 643 THR N A 643 THR CA A 643 THR C A 644 MET N 1.0 -53.1 -31.1 PSI 29 29 A 644 MET N A 644 MET CA A 644 MET C A 645 ALA N 1.0 -56.5 -34.5 PSI 30 30 A 645 ALA N A 645 ALA CA A 645 ALA C A 646 LEU N 1.0 -52.7 -30.7 PSI 31 31 A 646 LEU N A 646 LEU CA A 646 LEU C A 647 THR N 1.0 -52.4 -30.4 PSI 32 32 A 647 THR N A 647 THR CA A 647 THR C A 648 VAL N 1.0 -55.1 -33.1 PSI 33 33 A 648 VAL N A 648 VAL CA A 648 VAL C A 649 ILE N 1.0 -52.7 -30.7 PSI 34 34 A 649 ILE N A 649 ILE CA A 649 ILE C A 650 ALA N 1.0 -56.2 -34.2 PSI 35 35 A 650 ALA N A 650 ALA CA A 650 ALA C A 651 GLY N 1.0 -53.7 -31.7 PSI 36 36 A 651 GLY N A 651 GLY CA A 651 GLY C A 652 LEU N 1.0 -50.7 -28.3 PSI 37 37 A 652 LEU N A 652 LEU CA A 652 LEU C A 653 VAL N 1.0 -54.2 -32.2 PSI 38 38 A 653 VAL N A 653 VAL CA A 653 VAL C A 654 VAL N 1.0 -53.5 -31.5 PSI 39 39 A 654 VAL N A 654 VAL CA A 654 VAL C A 655 ILE N 1.0 -53.6 -31.6 PSI 40 40 A 655 ILE N A 655 ILE CA A 655 ILE C A 656 PHE N 1.0 -52.6 -30.6 PSI 41 41 A 656 PHE N A 656 PHE CA A 656 PHE C A 657 MET N 1.0 -52.7 -30.7 PSI 42 42 A 657 MET N A 657 MET CA A 657 MET C A 658 MET N 1.0 -57.6 -35.6 PSI 43 43 A 658 MET N A 658 MET CA A 658 MET C A 659 LEU N 1.0 -56.1 -34.1 PSI 44 44 A 659 LEU N A 659 LEU CA A 659 LEU C A 660 GLY N 1.0 -52.8 -30.8 PSI 45 45 A 660 GLY N A 660 GLY CA A 660 GLY C A 661 GLY N 1.0 -54.9 -32.5 PSI 46 46 A 661 GLY N A 661 GLY CA A 661 GLY C A 662 THR N 1.0 -54.3 -31.9 PSI 47 47 A 662 THR N A 662 THR CA A 662 THR C A 663 PHE N 1.0 -53.7 -31.7 PSI 48 48 A 663 PHE N A 663 PHE CA A 663 PHE C A 664 LEU N 1.0 -54.5 -32.5 PSI 49 49 A 664 LEU N A 664 LEU CA A 664 LEU C A 665 TYR N 1.0 -51.3 -29.3 PSI 50 50 A 665 TYR N A 665 TYR CA A 665 TYR C A 666 TRP N 1.0 -54.5 -32.5 PSI 51 51 A 666 TRP N A 666 TRP CA A 666 TRP C A 667 ARG N 1.0 -52.0 -30.0 PSI 52 52 A 667 ARG N A 667 ARG CA A 667 ARG C A 668 GLY N 1.0 -53.7 -11.7 PSI 53 53 A 668 GLY N A 668 GLY CA A 668 GLY C A 669 ARG N 1.0 -74.1 11.4 PSI 54 54 A 637 MET N A 637 MET CA A 637 MET CB A 637 MET CG 1.0 -90.0 210.0 CHI1 55 55 A 637 MET N A 637 MET CA A 637 MET CB A 637 MET CG 1.0 -330.0 -30.0 CHI1 56 56 A 637 MET N A 637 MET CA A 637 MET CB A 637 MET CG 1.0 -210.0 90.0 CHI1 57 57 A 637 MET CA A 637 MET CB A 637 MET CG A 637 MET SD 1.0 -90.0 210.0 CHI2 58 58 A 637 MET CA A 637 MET CB A 637 MET CG A 637 MET SD 1.0 -330.0 -30.0 CHI2 59 59 A 637 MET CA A 637 MET CB A 637 MET CG A 637 MET SD 1.0 -210.0 90.0 CHI2 60 60 A 639 ARG N A 639 ARG CA A 639 ARG CB A 639 ARG CG 1.0 -90.0 210.0 CHI1 61 61 A 639 ARG N A 639 ARG CA A 639 ARG CB A 639 ARG CG 1.0 -330.0 -30.0 CHI1 62 62 A 639 ARG N A 639 ARG CA A 639 ARG CB A 639 ARG CG 1.0 -210.0 90.0 CHI1 63 63 A 639 ARG CA A 639 ARG CB A 639 ARG CG A 639 ARG CD 1.0 -90.0 210.0 CHI2 64 64 A 639 ARG CA A 639 ARG CB A 639 ARG CG A 639 ARG CD 1.0 -330.0 -30.0 CHI2 65 65 A 639 ARG CA A 639 ARG CB A 639 ARG CG A 639 ARG CD 1.0 -210.0 90.0 CHI2 66 66 A 640 THR N A 640 THR CA A 640 THR CB A 640 THR OG1 1.0 -90.0 210.0 CHI1 67 67 A 640 THR N A 640 THR CA A 640 THR CB A 640 THR OG1 1.0 -330.0 -30.0 CHI1 68 68 A 640 THR N A 640 THR CA A 640 THR CB A 640 THR OG1 1.0 -210.0 90.0 CHI1 69 69 A 641 HIS N A 641 HIS CA A 641 HIS CB A 641 HIS CG 1.0 -90.0 210.0 CHI1 70 70 A 641 HIS N A 641 HIS CA A 641 HIS CB A 641 HIS CG 1.0 -330.0 -30.0 CHI1 71 71 A 641 HIS N A 641 HIS CA A 641 HIS CB A 641 HIS CG 1.0 -210.0 90.0 CHI1 72 72 A 642 LEU N A 642 LEU CA A 642 LEU CB A 642 LEU CG 1.0 -90.0 -30.0 CHI1 73 73 A 642 LEU CA A 642 LEU CB A 642 LEU CG A 642 LEU CD1 1.0 -210.0 -150.0 CHI2 74 74 A 643 THR N A 643 THR CA A 643 THR CB A 643 THR OG1 1.0 -90.0 -30.0 CHI1 75 75 A 644 MET N A 644 MET CA A 644 MET CB A 644 MET CG 1.0 -90.0 -30.0 CHI1 76 76 A 644 MET CA A 644 MET CB A 644 MET CG A 644 MET SD 1.0 -90.0 210.0 CHI2 77 77 A 644 MET CA A 644 MET CB A 644 MET CG A 644 MET SD 1.0 -330.0 -30.0 CHI2 78 78 A 644 MET CA A 644 MET CB A 644 MET CG A 644 MET SD 1.0 -210.0 90.0 CHI2 79 79 A 646 LEU N A 646 LEU CA A 646 LEU CB A 646 LEU CG 1.0 -90.0 -30.0 CHI1 80 80 A 646 LEU CA A 646 LEU CB A 646 LEU CG A 646 LEU CD1 1.0 -210.0 -150.0 CHI2 81 81 A 647 THR N A 647 THR CA A 647 THR CB A 647 THR OG1 1.0 -90.0 -30.0 CHI1 82 82 A 648 VAL N A 648 VAL CA A 648 VAL CB A 648 VAL CG1 1.0 -210.0 -150.0 CHI1 83 83 A 649 ILE N A 649 ILE CA A 649 ILE CB A 649 ILE CG1 1.0 -90.0 -30.0 CHI1 84 84 A 649 ILE CA A 649 ILE CB A 649 ILE CG1 A 649 ILE CD1 1.0 -210.0 -150.0 CHI21 85 85 A 652 LEU N A 652 LEU CA A 652 LEU CB A 652 LEU CG 1.0 -90.0 -30.0 CHI1 86 86 A 652 LEU CA A 652 LEU CB A 652 LEU CG A 652 LEU CD1 1.0 -210.0 -150.0 CHI2 87 87 A 653 VAL N A 653 VAL CA A 653 VAL CB A 653 VAL CG1 1.0 -210.0 -150.0 CHI1 88 88 A 654 VAL N A 654 VAL CA A 654 VAL CB A 654 VAL CG1 1.0 -210.0 -150.0 CHI1 89 89 A 655 ILE N A 655 ILE CA A 655 ILE CB A 655 ILE CG1 1.0 -90.0 -30.0 CHI1 90 90 A 655 ILE CA A 655 ILE CB A 655 ILE CG1 A 655 ILE CD1 1.0 -210.0 -150.0 CHI21 91 91 A 656 PHE N A 656 PHE CA A 656 PHE CB A 656 PHE CG 1.0 -210.0 -150.0 CHI1 92 92 A 657 MET N A 657 MET CA A 657 MET CB A 657 MET CG 1.0 -90.0 -30.0 CHI1 93 93 A 657 MET CA A 657 MET CB A 657 MET CG A 657 MET SD 1.0 -210.0 -150.0 CHI2 94 94 A 658 MET N A 658 MET CA A 658 MET CB A 658 MET CG 1.0 -90.0 -30.0 CHI1 95 95 A 658 MET CA A 658 MET CB A 658 MET CG A 658 MET SD 1.0 -210.0 -150.0 CHI2 96 96 A 659 LEU N A 659 LEU CA A 659 LEU CB A 659 LEU CG 1.0 -90.0 -30.0 CHI1 97 97 A 659 LEU CA A 659 LEU CB A 659 LEU CG A 659 LEU CD1 1.0 -210.0 -150.0 CHI2 98 98 A 662 THR N A 662 THR CA A 662 THR CB A 662 THR OG1 1.0 -90.0 -30.0 CHI1 99 99 A 663 PHE N A 663 PHE CA A 663 PHE CB A 663 PHE CG 1.0 -210.0 -150.0 CHI1 100 100 A 664 LEU N A 664 LEU CA A 664 LEU CB A 664 LEU CG 1.0 -90.0 -30.0 CHI1 101 101 A 664 LEU CA A 664 LEU CB A 664 LEU CG A 664 LEU CD1 1.0 -210.0 -150.0 CHI2 102 102 A 665 TYR N A 665 TYR CA A 665 TYR CB A 665 TYR CG 1.0 -210.0 -150.0 CHI1 103 103 A 666 TRP N A 666 TRP CA A 666 TRP CB A 666 TRP CG 1.0 -210.0 -150.0 CHI1 104 104 A 667 ARG N A 667 ARG CA A 667 ARG CB A 667 ARG CG 1.0 -90.0 -30.0 CHI1 105 105 A 667 ARG CA A 667 ARG CB A 667 ARG CG A 667 ARG CD 1.0 -90.0 210.0 CHI2 106 106 A 667 ARG CA A 667 ARG CB A 667 ARG CG A 667 ARG CD 1.0 -330.0 -30.0 CHI2 107 107 A 667 ARG CA A 667 ARG CB A 667 ARG CG A 667 ARG CD 1.0 -210.0 90.0 CHI2 stop_ save_