data_nef_c19893_2mni 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MNI stop_ 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 1 GLY start . false 2 A 2 SER middle . . 3 A 3 ALA middle . . 4 A 4 MET middle . . 5 A 5 GLY middle . false 6 A 6 HIS middle . . 7 A 7 MET middle . . 8 A 8 PRO middle . false 9 A 9 ALA middle . . 10 A 10 VAL middle . . 11 A 11 ASP middle . . 12 A 12 VAL middle . . 13 A 13 GLU middle . . 14 A 14 ILE middle . . 15 A 15 HIS middle . . 16 A 16 PHE middle . . 17 A 17 PRO middle . false 18 A 18 LEU middle . . 19 A 19 LYS middle . . 20 A 20 ARG middle . . 21 A 21 ILE middle . . 22 A 22 ALA middle . . 23 A 23 ALA middle . . 24 A 24 GLU middle . . 25 A 25 GLY middle . false 26 A 26 TYR middle . . 27 A 27 ALA middle . . 28 A 28 GLU middle . . 29 A 29 ASP middle . . 30 A 30 GLU middle . . 31 A 31 LEU middle . . 32 A 32 LEU middle . . 33 A 33 LEU middle . . 34 A 34 ASN middle . . 35 A 35 GLN middle . . 36 A 36 MET middle . . 37 A 37 GLY middle . false 38 A 38 LYS middle . . 39 A 39 VAL middle . . 40 A 40 ASN middle . . 41 A 41 ASP middle . . 42 A 42 THR middle . . 43 A 43 PRO middle . false 44 A 44 GLU middle . . 45 A 45 GLU middle . . 46 A 46 GLU middle . . 47 A 47 GLY middle . false 48 A 48 MET middle . . 49 A 49 PRO middle . false 50 A 50 LEU middle . . 51 A 51 ARG middle . . 52 A 52 ALA middle . . 53 A 53 TRP middle . . 54 A 54 VAL middle . . 55 A 55 ILE middle . . 56 A 56 LYS middle . . 57 A 57 CYS middle . . 58 A 58 ALA middle . . 59 A 59 HIS middle . . 60 A 60 GLU middle . . 61 A 61 ALA middle . . 62 A 62 LEU middle . . 63 A 63 GLU middle . . 64 A 64 LYS middle . . 65 A 65 ASN middle . . 66 A 66 PRO middle . false 67 A 67 LYS middle . . 68 A 68 ILE middle . . 69 A 69 ARG middle . . 70 A 70 GLU middle . . 71 A 71 VAL middle . . 72 A 72 TYR middle . . 73 A 73 LEU middle . . 74 A 74 LYS middle . . 75 A 75 PRO middle . false 76 A 76 ARG middle . . 77 A 77 ALA middle . . 78 A 78 VAL middle . . 79 A 79 LYS middle . . 80 A 80 ASN middle . . 81 A 81 SER middle . . 82 A 82 SER middle . . 83 A 83 VAL middle . . 84 A 84 GLN middle . . 85 A 85 PHE middle . . 86 A 86 HIS middle . . 87 A 87 VAL middle . . 88 A 88 ILE middle . . 89 A 89 PHE middle . . 90 A 90 ASP middle . . 91 A 91 GLU middle . . 92 A 92 GLU 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 8 PRO HA H 1 4.352 0.040 A 8 PRO HBx H 1 1.86 0.040 A 8 PRO HBy H 1 2.254 0.040 A 8 PRO HDy H 1 3.729 0.040 A 8 PRO HDx H 1 3.632 0.040 A 8 PRO HGy H 1 1.985 0.040 A 8 PRO HGx H 1 1.951 0.040 A 8 PRO C C 13 176.467 0.500 A 8 PRO CA C 13 63.363 0.500 A 8 PRO CB C 13 32.389 0.500 A 8 PRO CD C 13 51.302 0.500 A 8 PRO CG C 13 26.959 0.500 A 9 ALA H H 1 8.301 0.040 A 9 ALA HA H 1 4.407 0.040 A 9 ALA HB% H 1 1.305 0.040 A 9 ALA C C 13 177.826 0.500 A 9 ALA CA C 13 52.552 0.500 A 9 ALA CB C 13 19.854 0.500 A 9 ALA N N 15 124.419 0.500 A 10 VAL H H 1 8.095 0.040 A 10 VAL HA H 1 4.159 0.040 A 10 VAL HB H 1 2.028 0.040 A 10 VAL HGx% H 1 0.928 0.040 A 10 VAL C C 13 175.233 0.500 A 10 VAL CA C 13 62.133 0.500 A 10 VAL CB C 13 33.82 0.500 A 10 VAL CGx C 13 21.405 0.500 A 10 VAL N N 15 120.778 0.500 A 11 ASP H H 1 8.285 0.040 A 11 ASP HA H 1 5.032 0.040 A 11 ASP HBx H 1 2.554 0.040 A 11 ASP C C 13 176.892 0.500 A 11 ASP CA C 13 54.593 0.500 A 11 ASP CB C 13 42.662 0.500 A 11 ASP N N 15 125.133 0.500 A 12 VAL H H 1 8.615 0.040 A 12 VAL HA H 1 4.125 0.040 A 12 VAL HB H 1 1.911 0.040 A 12 VAL HGx% H 1 0.944 0.040 A 12 VAL HGy% H 1 0.81 0.040 A 12 VAL C C 13 175.226 0.500 A 12 VAL CA C 13 62.622 0.500 A 12 VAL CB C 13 33.328 0.500 A 12 VAL CGy C 13 21.684 0.500 A 12 VAL CGx C 13 21.55 0.500 A 12 VAL N N 15 124.553 0.500 A 13 GLU H H 1 8.796 0.040 A 13 GLU HA H 1 5.091 0.040 A 13 GLU HBx H 1 2.073 0.040 A 13 GLU HGx H 1 2.044 0.040 A 13 GLU C C 13 175.853 0.500 A 13 GLU CA C 13 56.269 0.500 A 13 GLU CB C 13 31.636 0.500 A 13 GLU N N 15 130.776 0.500 A 14 ILE H H 1 8.602 0.040 A 14 ILE HA H 1 4.373 0.040 A 14 ILE HB H 1 1.263 0.040 A 14 ILE HD1% H 1 0.814 0.040 A 14 ILE HG2% H 1 0.142 0.040 A 14 ILE C C 13 174.048 0.500 A 14 ILE CA C 13 58.779 0.500 A 14 ILE CB C 13 41.986 0.500 A 14 ILE CD1 C 13 13.22 0.500 A 14 ILE CG2 C 13 18.371 0.500 A 14 ILE N N 15 128.969 0.500 A 15 HIS H H 1 8.926 0.040 A 15 HIS HA H 1 5.254 0.040 A 15 HIS HBy H 1 3.42 0.040 A 15 HIS HBx H 1 2.827 0.040 A 15 HIS HD2 H 1 7.093 0.040 A 15 HIS HE1 H 1 8.514 0.040 A 15 HIS C C 13 174.83 0.500 A 15 HIS CA C 13 54.387 0.500 A 15 HIS CB C 13 30.504 0.500 A 15 HIS CD2 C 13 120.291 0.500 A 15 HIS CE1 C 13 136.059 0.500 A 15 HIS N N 15 124.354 0.500 A 16 PHE H H 1 8.758 0.040 A 16 PHE HA H 1 5.601 0.040 A 16 PHE HBy H 1 2.896 0.040 A 16 PHE HBx H 1 2.675 0.040 A 16 PHE HDx H 1 7.007 0.040 A 16 PHE HEx H 1 7.085 0.040 A 16 PHE HZ H 1 7.201 0.040 A 16 PHE CA C 13 51.56 0.500 A 16 PHE CB C 13 42.99 0.500 A 16 PHE CDx C 13 131.252 0.500 A 16 PHE CEx C 13 131.252 0.500 A 16 PHE CZ C 13 132.514 0.500 A 16 PHE N N 15 117.887 0.500 A 17 PRO HA H 1 4.759 0.040 A 17 PRO HBx H 1 1.9 0.040 A 17 PRO HBy H 1 2.568 0.040 A 17 PRO HDy H 1 4.097 0.040 A 17 PRO HDx H 1 3.424 0.040 A 17 PRO HGy H 1 2.247 0.040 A 17 PRO HGx H 1 2.085 0.040 A 17 PRO C C 13 178.833 0.500 A 17 PRO CA C 13 63.058 0.500 A 17 PRO CB C 13 31.96 0.500 A 17 PRO CD C 13 51.366 0.500 A 17 PRO CG C 13 27.683 0.500 A 18 LEU H H 1 9.189 0.040 A 18 LEU HA H 1 3.746 0.040 A 18 LEU HBy H 1 1.79 0.040 A 18 LEU HBx H 1 1.304 0.040 A 18 LEU HD1% H 1 0.716 0.040 A 18 LEU HG H 1 1.426 0.040 A 18 LEU C C 13 177.657 0.500 A 18 LEU CA C 13 59.042 0.500 A 18 LEU CB C 13 43.774 0.500 A 18 LEU CDx C 13 25.22 0.500 A 18 LEU CG C 13 27.57 0.500 A 18 LEU N N 15 131.092 0.500 A 19 LYS H H 1 8.967 0.040 A 19 LYS HA H 1 3.915 0.040 A 19 LYS HBx H 1 1.789 0.040 A 19 LYS HDx H 1 1.678 0.040 A 19 LYS HEy H 1 2.992 0.040 A 19 LYS HGx H 1 1.438 0.040 A 19 LYS C C 13 179.58 0.500 A 19 LYS CA C 13 59.475 0.500 A 19 LYS CB C 13 32.676 0.500 A 19 LYS CD C 13 29.449 0.500 A 19 LYS CE C 13 42.646 0.500 A 19 LYS CG C 13 25.579 0.500 A 19 LYS N N 15 113.358 0.500 A 20 ARG H H 1 7.118 0.040 A 20 ARG HA H 1 4.352 0.040 A 20 ARG HBy H 1 1.962 0.040 A 20 ARG HBx H 1 1.724 0.040 A 20 ARG HDx H 1 3.127 0.040 A 20 ARG HGx H 1 1.644 0.040 A 20 ARG C C 13 179.148 0.500 A 20 ARG CA C 13 57.803 0.500 A 20 ARG CB C 13 31.13 0.500 A 20 ARG CD C 13 42.679 0.500 A 20 ARG N N 15 113.649 0.500 A 21 ILE H H 1 7.752 0.040 A 21 ILE HA H 1 4.318 0.040 A 21 ILE HB H 1 1.288 0.040 A 21 ILE HD1% H 1 0.681 0.040 A 21 ILE HG1y H 1 1.003 0.040 A 21 ILE HG1x H 1 0.971 0.040 A 21 ILE HG2% H 1 0.707 0.040 A 21 ILE C C 13 175.336 0.500 A 21 ILE CA C 13 59.592 0.500 A 21 ILE CB C 13 39.017 0.500 A 21 ILE CD1 C 13 16.313 0.500 A 21 ILE CG1 C 13 30.889 0.500 A 21 ILE CG2 C 13 18.368 0.500 A 21 ILE N N 15 117.305 0.500 A 22 ALA H H 1 7.759 0.040 A 22 ALA HA H 1 4.087 0.040 A 22 ALA HB% H 1 1.277 0.040 A 22 ALA C C 13 177.701 0.500 A 22 ALA CA C 13 53.39 0.500 A 22 ALA CB C 13 20.048 0.500 A 22 ALA N N 15 123.637 0.500 A 23 ALA H H 1 6.732 0.040 A 23 ALA HA H 1 4.285 0.040 A 23 ALA HB% H 1 1.564 0.040 A 23 ALA C C 13 178.285 0.500 A 23 ALA CA C 13 52.906 0.500 A 23 ALA CB C 13 20.19 0.500 A 23 ALA N N 15 120.182 0.500 A 24 GLU H H 1 8.83 0.040 A 24 GLU HA H 1 4.165 0.040 A 24 GLU HBx H 1 2.07 0.040 A 24 GLU C C 13 179.026 0.500 A 24 GLU CA C 13 59.482 0.500 A 24 GLU CB C 13 29.977 0.500 A 24 GLU N N 15 119.837 0.500 A 25 GLY H H 1 8.425 0.040 A 25 GLY HAy H 1 4.094 0.040 A 25 GLY HAx H 1 3.671 0.040 A 25 GLY C C 13 176.338 0.500 A 25 GLY CA C 13 46.077 0.500 A 25 GLY N N 15 107.505 0.500 A 26 TYR H H 1 7.262 0.040 A 26 TYR HA H 1 4.256 0.040 A 26 TYR HBy H 1 3.493 0.040 A 26 TYR HBx H 1 2.57 0.040 A 26 TYR HDy H 1 7.026 0.040 A 26 TYR HEy H 1 6.913 0.040 A 26 TYR C C 13 176.005 0.500 A 26 TYR CA C 13 60.714 0.500 A 26 TYR CB C 13 37.497 0.500 A 26 TYR CDy C 13 131.279 0.500 A 26 TYR CEy C 13 118.485 0.500 A 26 TYR N N 15 119.505 0.500 A 27 ALA H H 1 6.867 0.040 A 27 ALA HA H 1 3.464 0.040 A 27 ALA HB% H 1 0.768 0.040 A 27 ALA C C 13 178.55 0.500 A 27 ALA CA C 13 54.172 0.500 A 27 ALA CB C 13 18.075 0.500 A 27 ALA N N 15 122.574 0.500 A 28 GLU H H 1 7.285 0.040 A 28 GLU HA H 1 4.339 0.040 A 28 GLU HBy H 1 2.2 0.040 A 28 GLU HBx H 1 1.72 0.040 A 28 GLU HGx H 1 1.977 0.040 A 28 GLU CA C 13 55.252 0.500 A 28 GLU CB C 13 30.445 0.500 A 28 GLU CG C 13 36.425 0.500 A 28 GLU N N 15 114.244 0.500 A 29 ASP H H 1 7.083 0.040 A 29 ASP HA H 1 4.457 0.040 A 29 ASP HBy H 1 3.055 0.040 A 29 ASP HBx H 1 2.479 0.040 A 29 ASP C C 13 177.771 0.500 A 29 ASP CA C 13 54.448 0.500 A 29 ASP CB C 13 41.689 0.500 A 29 ASP N N 15 120.177 0.500 A 30 GLU H H 1 9.081 0.040 A 30 GLU HA H 1 3.962 0.040 A 30 GLU HBx H 1 2.078 0.040 A 30 GLU HGx H 1 2.367 0.040 A 30 GLU C C 13 178.184 0.500 A 30 GLU CA C 13 59.356 0.500 A 30 GLU CB C 13 30.281 0.500 A 30 GLU CG C 13 36.223 0.500 A 30 GLU N N 15 129.724 0.500 A 31 LEU H H 1 8.323 0.040 A 31 LEU HA H 1 4.159 0.040 A 31 LEU HBy H 1 1.822 0.040 A 31 LEU HBx H 1 1.675 0.040 A 31 LEU HDx% H 1 0.829 0.040 A 31 LEU HG H 1 1.69 0.040 A 31 LEU C C 13 180.91 0.500 A 31 LEU CA C 13 59.08 0.500 A 31 LEU CB C 13 41.682 0.500 A 31 LEU CDx C 13 25.143 0.500 A 31 LEU CG C 13 27.189 0.500 A 31 LEU N N 15 120.99 0.500 A 32 LEU H H 1 7.225 0.040 A 32 LEU HA H 1 3.952 0.040 A 32 LEU HBy H 1 1.991 0.040 A 32 LEU HBx H 1 0.916 0.040 A 32 LEU HDx% H 1 0.487 0.040 A 32 LEU HG H 1 1.545 0.040 A 32 LEU C C 13 179.086 0.500 A 32 LEU CA C 13 58.018 0.500 A 32 LEU CB C 13 40.951 0.500 A 32 LEU CDx C 13 23.444 0.500 A 32 LEU N N 15 116.856 0.500 A 33 LEU H H 1 6.943 0.040 A 33 LEU HA H 1 3.922 0.040 A 33 LEU HBy H 1 1.663 0.040 A 33 LEU HBx H 1 1.598 0.040 A 33 LEU HDx% H 1 0.828 0.040 A 33 LEU HG H 1 1.528 0.040 A 33 LEU C C 13 181.207 0.500 A 33 LEU CA C 13 58.81 0.500 A 33 LEU CB C 13 42.112 0.500 A 33 LEU CDx C 13 24.728 0.500 A 33 LEU CG C 13 27.529 0.500 A 33 LEU N N 15 117.769 0.500 A 34 ASN H H 1 8.32 0.040 A 34 ASN HA H 1 4.536 0.040 A 34 ASN HBx H 1 3.024 0.040 A 34 ASN HD2x H 1 7.034 0.040 A 34 ASN HD2y H 1 7.582 0.040 A 34 ASN C C 13 178.881 0.500 A 34 ASN CA C 13 56.303 0.500 A 34 ASN CB C 13 38.58 0.500 A 34 ASN N N 15 118.848 0.500 A 34 ASN ND2 N 15 111.903 0.500 A 35 GLN H H 1 8.053 0.040 A 35 GLN HA H 1 4.347 0.040 A 35 GLN HBx H 1 2.611 0.040 A 35 GLN HE2x H 1 7.056 0.040 A 35 GLN HE2y H 1 7.865 0.040 A 35 GLN HGx H 1 2.862 0.040 A 35 GLN C C 13 177.483 0.500 A 35 GLN CA C 13 57.275 0.500 A 35 GLN CB C 13 29.878 0.500 A 35 GLN CG C 13 34.637 0.500 A 35 GLN N N 15 118.808 0.500 A 35 GLN NE2 N 15 111.816 0.500 A 36 MET H H 1 7.596 0.040 A 36 MET HA H 1 4.718 0.040 A 36 MET HBx H 1 2.319 0.040 A 36 MET HE% H 1 1.946 0.040 A 36 MET HGy H 1 2.797 0.040 A 36 MET HGx H 1 2.631 0.040 A 36 MET C C 13 177.424 0.500 A 36 MET CA C 13 54.879 0.500 A 36 MET CB C 13 31.263 0.500 A 36 MET CE C 13 16.7 0.500 A 36 MET CG C 13 32.076 0.500 A 36 MET N N 15 116.334 0.500 A 37 GLY H H 1 7.827 0.040 A 37 GLY HAx H 1 3.965 0.040 A 37 GLY C C 13 175.666 0.500 A 37 GLY CA C 13 47.573 0.500 A 37 GLY N N 15 106.238 0.500 A 38 LYS H H 1 8.543 0.040 A 38 LYS HA H 1 4.413 0.040 A 38 LYS HBy H 1 2.066 0.040 A 38 LYS HBx H 1 1.743 0.040 A 38 LYS HEy H 1 2.69 0.040 A 38 LYS C C 13 176.395 0.500 A 38 LYS CA C 13 56.332 0.500 A 38 LYS CB C 13 32.091 0.500 A 38 LYS N N 15 120.688 0.500 A 39 VAL H H 1 7.711 0.040 A 39 VAL HA H 1 4.077 0.040 A 39 VAL HB H 1 2.014 0.040 A 39 VAL HGx% H 1 1.123 0.040 A 39 VAL HGy% H 1 1.068 0.040 A 39 VAL CA C 13 62.829 0.500 A 39 VAL CB C 13 33.71 0.500 A 39 VAL CGx C 13 21.757 0.500 A 39 VAL CGy C 13 22.877 0.500 A 39 VAL N N 15 123.143 0.500 A 40 ASN H H 1 8.692 0.040 A 40 ASN HA H 1 4.783 0.040 A 40 ASN HBy H 1 3.093 0.040 A 40 ASN HBx H 1 2.929 0.040 A 40 ASN HD2x H 1 6.996 0.040 A 40 ASN HD2y H 1 7.723 0.040 A 40 ASN C C 13 174.87 0.500 A 40 ASN CA C 13 53.494 0.500 A 40 ASN CB C 13 40.393 0.500 A 40 ASN N N 15 125.464 0.500 A 40 ASN ND2 N 15 113.579 0.500 A 41 ASP H H 1 8.403 0.040 A 41 ASP HA H 1 5.133 0.040 A 41 ASP HBy H 1 2.966 0.040 A 41 ASP HBx H 1 2.647 0.040 A 41 ASP C C 13 177.048 0.500 A 41 ASP CA C 13 56.422 0.500 A 41 ASP CB C 13 43.353 0.500 A 41 ASP N N 15 116.195 0.500 A 42 THR H H 1 7.532 0.040 A 42 THR HA H 1 4.646 0.040 A 42 THR HB H 1 4.146 0.040 A 42 THR HG2% H 1 1.175 0.040 A 42 THR CA C 13 57.844 0.500 A 42 THR CB C 13 70.269 0.500 A 42 THR CG2 C 13 22.313 0.500 A 42 THR N N 15 111.139 0.500 A 43 PRO HA H 1 4.534 0.040 A 43 PRO HBx H 1 2.051 0.040 A 43 PRO HBy H 1 2.377 0.040 A 43 PRO HDy H 1 3.585 0.040 A 43 PRO HDx H 1 3.517 0.040 A 43 PRO HGy H 1 1.903 0.040 A 43 PRO HGx H 1 1.796 0.040 A 43 PRO C C 13 175.55 0.500 A 43 PRO CA C 13 63.124 0.500 A 43 PRO CB C 13 34.45 0.500 A 43 PRO CD C 13 50.989 0.500 A 43 PRO CG C 13 26.156 0.500 A 44 GLU H H 1 8.515 0.040 A 44 GLU HA H 1 4.138 0.040 A 44 GLU HBy H 1 1.705 0.040 A 44 GLU HBx H 1 1.615 0.040 A 44 GLU HGy H 1 2.185 0.040 A 44 GLU HGx H 1 2.094 0.040 A 44 GLU C C 13 176.266 0.500 A 44 GLU CA C 13 58.583 0.500 A 44 GLU CB C 13 30.878 0.500 A 44 GLU CG C 13 36.944 0.500 A 44 GLU N N 15 121.809 0.500 A 45 GLU H H 1 8.406 0.040 A 45 GLU HA H 1 4.352 0.040 A 45 GLU HBy H 1 1.154 0.040 A 45 GLU HBx H 1 0.811 0.040 A 45 GLU HGy H 1 0.623 0.040 A 45 GLU HGx H 1 0.251 0.040 A 45 GLU C C 13 175.468 0.500 A 45 GLU CA C 13 54.805 0.500 A 45 GLU CB C 13 32.425 0.500 A 45 GLU CG C 13 34.025 0.500 A 45 GLU N N 15 122.167 0.500 A 46 GLU H H 1 8.729 0.040 A 46 GLU HA H 1 3.748 0.040 A 46 GLU HBy H 1 2.341 0.040 A 46 GLU HBx H 1 2.188 0.040 A 46 GLU HGx H 1 2.287 0.040 A 46 GLU C C 13 177.108 0.500 A 46 GLU CA C 13 57.786 0.500 A 46 GLU CB C 13 28.617 0.500 A 46 GLU CG C 13 36.896 0.500 A 46 GLU N N 15 123.1 0.500 A 47 GLY H H 1 8.513 0.040 A 47 GLY HAy H 1 4.024 0.040 A 47 GLY HAx H 1 3.63 0.040 A 47 GLY C C 13 174.278 0.500 A 47 GLY CA C 13 45.972 0.500 A 47 GLY N N 15 102.684 0.500 A 48 MET H H 1 8.056 0.040 A 48 MET HA H 1 5.004 0.040 A 48 MET HBy H 1 2.328 0.040 A 48 MET HBx H 1 2.219 0.040 A 48 MET HE% H 1 2.153 0.040 A 48 MET HGx H 1 2.761 0.040 A 48 MET CA C 13 53.307 0.500 A 48 MET CB C 13 35.537 0.500 A 48 MET CE C 13 17.216 0.500 A 48 MET CG C 13 32.109 0.500 A 48 MET N N 15 120.46 0.500 A 49 PRO HDy H 1 3.925 0.040 A 49 PRO HDx H 1 3.629 0.040 A 49 PRO HGy H 1 2.204 0.040 A 49 PRO HGx H 1 2.066 0.040 A 49 PRO CD C 13 51.046 0.500 A 49 PRO CG C 13 28.643 0.500 A 50 LEU HA H 1 4.151 0.040 A 50 LEU HBy H 1 2.236 0.040 A 50 LEU HBx H 1 1.667 0.040 A 50 LEU HDx% H 1 1.042 0.040 A 50 LEU HG H 1 1.557 0.040 A 50 LEU C C 13 179.381 0.500 A 50 LEU CA C 13 59.884 0.500 A 50 LEU CB C 13 40.795 0.500 A 50 LEU CDx C 13 26.339 0.500 A 50 LEU CG C 13 27.571 0.500 A 51 ARG H H 1 8.076 0.040 A 51 ARG HA H 1 3.826 0.040 A 51 ARG HBy H 1 2.256 0.040 A 51 ARG HBx H 1 1.611 0.040 A 51 ARG C C 13 178.376 0.500 A 51 ARG CA C 13 61.473 0.500 A 51 ARG CB C 13 31.095 0.500 A 51 ARG N N 15 113.058 0.500 A 52 ALA H H 1 7.095 0.040 A 52 ALA HA H 1 4.09 0.040 A 52 ALA HB% H 1 1.581 0.040 A 52 ALA C C 13 180.673 0.500 A 52 ALA CA C 13 54.971 0.500 A 52 ALA CB C 13 18.918 0.500 A 52 ALA N N 15 118.144 0.500 A 53 TRP H H 1 8.608 0.040 A 53 TRP HA H 1 4.309 0.040 A 53 TRP HBx H 1 3.752 0.040 A 53 TRP HD1 H 1 7.136 0.040 A 53 TRP HE1 H 1 10.334 0.040 A 53 TRP HE3 H 1 7.137 0.040 A 53 TRP HH2 H 1 6.799 0.040 A 53 TRP HZ2 H 1 7.504 0.040 A 53 TRP HZ3 H 1 6.966 0.040 A 53 TRP CA C 13 62.932 0.500 A 53 TRP CB C 13 28.512 0.500 A 53 TRP CD1 C 13 127.279 0.500 A 53 TRP CE3 C 13 122.538 0.500 A 53 TRP CH2 C 13 123.134 0.500 A 53 TRP CZ2 C 13 116.517 0.500 A 53 TRP CZ3 C 13 123.655 0.500 A 53 TRP N N 15 121.809 0.500 A 53 TRP NE1 N 15 132.105 0.500 A 54 VAL H H 1 8.352 0.040 A 54 VAL HA H 1 2.844 0.040 A 54 VAL HB H 1 2.121 0.040 A 54 VAL HGx% H 1 0.581 0.040 A 54 VAL HGy% H 1 0.51 0.040 A 54 VAL C C 13 177.917 0.500 A 54 VAL CA C 13 67.434 0.500 A 54 VAL CB C 13 31.517 0.500 A 54 VAL CGx C 13 21.627 0.500 A 54 VAL CGy C 13 23.015 0.500 A 54 VAL N N 15 120.508 0.500 A 55 ILE H H 1 7.574 0.040 A 55 ILE HA H 1 3.327 0.040 A 55 ILE HB H 1 1.728 0.040 A 55 ILE HD1% H 1 0.714 0.040 A 55 ILE HG1y H 1 1.874 0.040 A 55 ILE HG1x H 1 0.645 0.040 A 55 ILE HG2% H 1 0.838 0.040 A 55 ILE CA C 13 66.79 0.500 A 55 ILE CB C 13 39.269 0.500 A 55 ILE CD1 C 13 14.544 0.500 A 55 ILE CG1 C 13 31.754 0.500 A 55 ILE CG2 C 13 18.448 0.500 A 55 ILE N N 15 118.131 0.500 A 56 LYS H H 1 8.354 0.040 A 56 LYS HA H 1 4.052 0.040 A 56 LYS HBx H 1 2.036 0.040 A 56 LYS C C 13 179.574 0.500 A 56 LYS CA C 13 60.575 0.500 A 56 LYS CB C 13 33.131 0.500 A 56 LYS N N 15 120.517 0.500 A 57 CYS H H 1 8.501 0.040 A 57 CYS HA H 1 3.914 0.040 A 57 CYS HBx H 1 2.264 0.040 A 57 CYS C C 13 178.985 0.500 A 57 CYS CA C 13 63.432 0.500 A 57 CYS CB C 13 27.589 0.500 A 57 CYS N N 15 116.239 0.500 A 58 ALA H H 1 8.605 0.040 A 58 ALA HA H 1 4.035 0.040 A 58 ALA HB% H 1 1.612 0.040 A 58 ALA C C 13 177.753 0.500 A 58 ALA CA C 13 56.077 0.500 A 58 ALA CB C 13 18.229 0.500 A 58 ALA N N 15 123.819 0.500 A 59 HIS H H 1 8.132 0.040 A 59 HIS HA H 1 3.515 0.040 A 59 HIS HBy H 1 2.756 0.040 A 59 HIS HBx H 1 2.137 0.040 A 59 HIS HD2 H 1 6.834 0.040 A 59 HIS HE1 H 1 7.995 0.040 A 59 HIS C C 13 177.271 0.500 A 59 HIS CA C 13 60.7 0.500 A 59 HIS CB C 13 27.791 0.500 A 59 HIS CD2 C 13 120.646 0.500 A 59 HIS CE1 C 13 136.182 0.500 A 59 HIS N N 15 115.595 0.500 A 60 GLU H H 1 8.623 0.040 A 60 GLU HA H 1 3.774 0.040 A 60 GLU HBx H 1 2.005 0.040 A 60 GLU HGx H 1 2.601 0.040 A 60 GLU C C 13 179.157 0.500 A 60 GLU CA C 13 59.774 0.500 A 60 GLU CB C 13 29.897 0.500 A 60 GLU CG C 13 37.693 0.500 A 60 GLU N N 15 117.847 0.500 A 61 ALA H H 1 7.891 0.040 A 61 ALA HA H 1 4.063 0.040 A 61 ALA HB% H 1 1.51 0.040 A 61 ALA CA C 13 55.334 0.500 A 61 ALA CB C 13 18.359 0.500 A 61 ALA N N 15 122.193 0.500 A 62 LEU H H 1 7.08 0.040 A 62 LEU HA H 1 3.961 0.040 A 62 LEU HBy H 1 1.242 0.040 A 62 LEU HBx H 1 1.187 0.040 A 62 LEU HDx% H 1 0.388 0.040 A 62 LEU HDy% H 1 0.298 0.040 A 62 LEU HG H 1 1.14 0.040 A 62 LEU C C 13 178.813 0.500 A 62 LEU CA C 13 56.519 0.500 A 62 LEU CB C 13 42.684 0.500 A 62 LEU CDy C 13 25.794 0.500 A 62 LEU CDx C 13 25.25 0.500 A 62 LEU CG C 13 27.154 0.500 A 62 LEU N N 15 120.135 0.500 A 63 GLU H H 1 7.594 0.040 A 63 GLU HA H 1 3.706 0.040 A 63 GLU HBx H 1 1.801 0.040 A 63 GLU HGx H 1 2.016 0.040 A 63 GLU C C 13 179.261 0.500 A 63 GLU CA C 13 59.196 0.500 A 63 GLU CB C 13 30.065 0.500 A 63 GLU CG C 13 36.961 0.500 A 63 GLU N N 15 118.288 0.500 A 64 LYS H H 1 7.342 0.040 A 64 LYS HA H 1 4.077 0.040 A 64 LYS HBx H 1 1.851 0.040 A 64 LYS C C 13 177.763 0.500 A 64 LYS N N 15 116.167 0.500 A 65 ASN H H 1 7.48 0.040 A 65 ASN HA H 1 4.955 0.040 A 65 ASN HBy H 1 3.056 0.040 A 65 ASN HBx H 1 2.756 0.040 A 65 ASN HD2x H 1 7.06 0.040 A 65 ASN HD2y H 1 7.733 0.040 A 65 ASN CA C 13 50.853 0.500 A 65 ASN CB C 13 39.463 0.500 A 65 ASN N N 15 113.899 0.500 A 65 ASN ND2 N 15 111.997 0.500 A 66 PRO HA H 1 4.595 0.040 A 66 PRO HBx H 1 1.914 0.040 A 66 PRO HBy H 1 2.383 0.040 A 66 PRO HDy H 1 3.737 0.040 A 66 PRO HDx H 1 3.456 0.040 A 66 PRO HGy H 1 2.019 0.040 A 66 PRO HGx H 1 1.935 0.040 A 66 PRO C C 13 177.769 0.500 A 66 PRO CA C 13 64.477 0.500 A 66 PRO CB C 13 32.84 0.500 A 66 PRO CD C 13 50.942 0.500 A 66 PRO CG C 13 27.423 0.500 A 67 LYS H H 1 7.611 0.040 A 67 LYS HA H 1 4.264 0.040 A 67 LYS HBy H 1 1.941 0.040 A 67 LYS HBx H 1 1.823 0.040 A 67 LYS HDx H 1 1.669 0.040 A 67 LYS HEy H 1 2.995 0.040 A 67 LYS HGx H 1 1.406 0.040 A 67 LYS HGy H 1 1.482 0.040 A 67 LYS C C 13 178.271 0.500 A 67 LYS CA C 13 55.906 0.500 A 67 LYS CB C 13 33.131 0.500 A 67 LYS CD C 13 29.466 0.500 A 67 LYS CE C 13 41.869 0.500 A 67 LYS CG C 13 24.641 0.500 A 67 LYS N N 15 115.189 0.500 A 68 ILE H H 1 7.662 0.040 A 68 ILE HA H 1 4.17 0.040 A 68 ILE HB H 1 2.061 0.040 A 68 ILE HD1% H 1 0.909 0.040 A 68 ILE HG1y H 1 1.738 0.040 A 68 ILE HG1x H 1 1.484 0.040 A 68 ILE HG2% H 1 1.042 0.040 A 68 ILE C C 13 177.006 0.500 A 68 ILE CA C 13 63.373 0.500 A 68 ILE CB C 13 39.916 0.500 A 68 ILE CD1 C 13 14.958 0.500 A 68 ILE CG1 C 13 27.501 0.500 A 68 ILE CG2 C 13 18.676 0.500 A 68 ILE N N 15 118.905 0.500 A 69 ARG H H 1 9.018 0.040 A 69 ARG HA H 1 4.956 0.040 A 69 ARG HBy H 1 2.414 0.040 A 69 ARG HBx H 1 1.722 0.040 A 69 ARG C C 13 175.294 0.500 A 69 ARG CA C 13 54.493 0.500 A 69 ARG CB C 13 31.487 0.500 A 69 ARG N N 15 119.69 0.500 A 70 GLU H H 1 7.565 0.040 A 70 GLU HA H 1 4.961 0.040 A 70 GLU HBy H 1 2.078 0.040 A 70 GLU HBx H 1 1.607 0.040 A 70 GLU HGx H 1 2.188 0.040 A 70 GLU C C 13 174.398 0.500 A 70 GLU CA C 13 54.537 0.500 A 70 GLU CB C 13 32.85 0.500 A 70 GLU CG C 13 34.919 0.500 A 70 GLU N N 15 116.461 0.500 A 71 VAL H H 1 8.946 0.040 A 71 VAL HA H 1 4.461 0.040 A 71 VAL HB H 1 1.991 0.040 A 71 VAL HGx% H 1 0.814 0.040 A 71 VAL HGy% H 1 0.76 0.040 A 71 VAL CA C 13 61.024 0.500 A 71 VAL CB C 13 35.777 0.500 A 71 VAL CGx C 13 21.31 0.500 A 71 VAL CGy C 13 21.377 0.500 A 71 VAL N N 15 116.838 0.500 A 72 TYR H H 1 8.689 0.040 A 72 TYR HA H 1 5.433 0.040 A 72 TYR HBy H 1 2.814 0.040 A 72 TYR HBx H 1 2.666 0.040 A 72 TYR HDy H 1 6.884 0.040 A 72 TYR HEy H 1 6.352 0.040 A 72 TYR C C 13 176.183 0.500 A 72 TYR CA C 13 57.95 0.500 A 72 TYR CB C 13 40.213 0.500 A 72 TYR CDy C 13 132.914 0.500 A 72 TYR CEy C 13 117.662 0.500 A 72 TYR N N 15 125.566 0.500 A 73 LEU H H 1 9.202 0.040 A 73 LEU HA H 1 5.02 0.040 A 73 LEU HBy H 1 1.95 0.040 A 73 LEU HBx H 1 1.706 0.040 A 73 LEU HDx% H 1 0.682 0.040 A 73 LEU HDy% H 1 0.619 0.040 A 73 LEU HG H 1 1.454 0.040 A 73 LEU C C 13 176.134 0.500 A 73 LEU CA C 13 53.708 0.500 A 73 LEU CB C 13 46.349 0.500 A 73 LEU CDx C 13 24.014 0.500 A 73 LEU CDy C 13 28.614 0.500 A 73 LEU N N 15 122.757 0.500 A 74 LYS H H 1 9.205 0.040 A 74 LYS HA H 1 5.336 0.040 A 74 LYS HBy H 1 1.998 0.040 A 74 LYS HBx H 1 1.795 0.040 A 74 LYS HDx H 1 1.692 0.040 A 74 LYS HEy H 1 2.997 0.040 A 74 LYS HGx H 1 1.462 0.040 A 74 LYS HGy H 1 1.47 0.040 A 74 LYS CA C 13 53.473 0.500 A 74 LYS CB C 13 34.986 0.500 A 74 LYS CD C 13 29.518 0.500 A 74 LYS CE C 13 42.26 0.500 A 74 LYS CG C 13 25.086 0.500 A 74 LYS N N 15 124.941 0.500 A 75 PRO HA H 1 3.959 0.040 A 75 PRO HBy H 1 1.819 0.040 A 75 PRO HDy H 1 4.256 0.040 A 75 PRO HDx H 1 3.89 0.040 A 75 PRO HGy H 1 2.113 0.040 A 75 PRO HGx H 1 1.893 0.040 A 75 PRO C C 13 176.549 0.500 A 75 PRO CA C 13 63.45 0.500 A 75 PRO CB C 13 32.618 0.500 A 75 PRO CD C 13 51.551 0.500 A 75 PRO CG C 13 28.127 0.500 A 76 ARG H H 1 10.063 0.040 A 76 ARG HA H 1 4.408 0.040 A 76 ARG HBy H 1 1.92 0.040 A 76 ARG HBx H 1 1.804 0.040 A 76 ARG HDx H 1 3.253 0.040 A 76 ARG HGx H 1 1.703 0.040 A 76 ARG C C 13 178.244 0.500 A 76 ARG CA C 13 56.823 0.500 A 76 ARG CB C 13 32.455 0.500 A 76 ARG CD C 13 43.894 0.500 A 76 ARG CG C 13 27.449 0.500 A 76 ARG N N 15 122.429 0.500 A 77 ALA H H 1 9.71 0.040 A 77 ALA HA H 1 4.141 0.040 A 77 ALA HB% H 1 1.47 0.040 A 77 ALA C C 13 179.691 0.500 A 77 ALA CA C 13 54.868 0.500 A 77 ALA CB C 13 19.502 0.500 A 77 ALA N N 15 127.287 0.500 A 78 VAL H H 1 7.954 0.040 A 78 VAL HA H 1 4.021 0.040 A 78 VAL HB H 1 2.074 0.040 A 78 VAL HGx% H 1 0.94 0.040 A 78 VAL CA C 13 63.481 0.500 A 78 VAL CB C 13 32.599 0.500 A 78 VAL CGx C 13 21.201 0.500 A 78 VAL N N 15 118.326 0.500 A 79 LYS H H 1 8.695 0.040 A 79 LYS CA C 13 59.788 0.500 A 79 LYS N N 15 125.429 0.500 A 80 ASN HA H 1 4.79 0.040 A 80 ASN HBy H 1 2.93 0.040 A 80 ASN HBx H 1 2.688 0.040 A 80 ASN HD2x H 1 6.722 0.040 A 80 ASN HD2y H 1 7.853 0.040 A 80 ASN C C 13 175.317 0.500 A 80 ASN CA C 13 53.704 0.500 A 80 ASN CB C 13 38.854 0.500 A 80 ASN ND2 N 15 112.529 0.500 A 81 SER H H 1 7.715 0.040 A 81 SER HA H 1 4.408 0.040 A 81 SER HBx H 1 3.872 0.040 A 81 SER CA C 13 59.296 0.500 A 81 SER CB C 13 64.171 0.500 A 81 SER N N 15 113.408 0.500 A 82 SER H H 1 8.472 0.040 A 82 SER HA H 1 4.541 0.040 A 82 SER HBx H 1 3.898 0.040 A 82 SER C C 13 174.196 0.500 A 82 SER CA C 13 58.767 0.500 A 82 SER CB C 13 64.382 0.500 A 82 SER N N 15 117.894 0.500 A 83 VAL H H 1 7.686 0.040 A 83 VAL HA H 1 4.401 0.040 A 83 VAL HB H 1 1.768 0.040 A 83 VAL HGx% H 1 0.736 0.040 A 83 VAL HGy% H 1 0.515 0.040 A 83 VAL C C 13 174.614 0.500 A 83 VAL CA C 13 62.532 0.500 A 83 VAL CB C 13 34.388 0.500 A 83 VAL CGy C 13 21.602 0.500 A 83 VAL CGx C 13 21.382 0.500 A 83 VAL N N 15 122.43 0.500 A 84 GLN H H 1 8.287 0.040 A 84 GLN HA H 1 4.787 0.040 A 84 GLN HBy H 1 2.199 0.040 A 84 GLN HBx H 1 1.952 0.040 A 84 GLN HE2x H 1 6.517 0.040 A 84 GLN HE2y H 1 8.206 0.040 A 84 GLN HGx H 1 2.197 0.040 A 84 GLN C C 13 174.077 0.500 A 84 GLN CA C 13 55.073 0.500 A 84 GLN CB C 13 32.723 0.500 A 84 GLN CG C 13 34.565 0.500 A 84 GLN N N 15 123.141 0.500 A 84 GLN NE2 N 15 112.339 0.500 A 85 PHE H H 1 9.241 0.040 A 85 PHE HA H 1 5.288 0.040 A 85 PHE HBy H 1 3.051 0.040 A 85 PHE HBx H 1 2.782 0.040 A 85 PHE HDy H 1 7.184 0.040 A 85 PHE HEy H 1 7.254 0.040 A 85 PHE HZ H 1 7.299 0.040 A 85 PHE C C 13 175.063 0.500 A 85 PHE CA C 13 57.435 0.500 A 85 PHE CB C 13 41.208 0.500 A 85 PHE CDy C 13 131.888 0.500 A 85 PHE CEy C 13 131.177 0.500 A 85 PHE CZ C 13 132.383 0.500 A 85 PHE N N 15 121.281 0.500 A 86 HIS H H 1 9.34 0.040 A 86 HIS HA H 1 4.747 0.040 A 86 HIS HBy H 1 3.148 0.040 A 86 HIS HBx H 1 2.697 0.040 A 86 HIS C C 13 172.315 0.500 A 86 HIS CA C 13 52.353 0.500 A 86 HIS CB C 13 30.085 0.500 A 86 HIS N N 15 125.3 0.500 A 87 VAL H H 1 8.722 0.040 A 87 VAL HA H 1 4.223 0.040 A 87 VAL HB H 1 1.697 0.040 A 87 VAL HGx% H 1 0.524 0.040 A 87 VAL HGy% H 1 0.235 0.040 A 87 VAL C C 13 173.887 0.500 A 87 VAL CA C 13 61.138 0.500 A 87 VAL CB C 13 31.976 0.500 A 87 VAL CGx C 13 22.584 0.500 A 87 VAL CGy C 13 23.444 0.500 A 87 VAL N N 15 127.396 0.500 A 88 ILE H H 1 8.605 0.040 A 88 ILE HA H 1 3.785 0.040 A 88 ILE HB H 1 0.151 0.040 A 88 ILE HD1% H 1 0.015 0.040 A 88 ILE HG1y H 1 0.351 0.040 A 88 ILE HG1x H 1 0.333 0.040 A 88 ILE HG2% H 1 0.711 0.040 A 88 ILE C C 13 174.542 0.500 A 88 ILE CA C 13 60.42 0.500 A 88 ILE CB C 13 41.068 0.500 A 88 ILE CD1 C 13 14.062 0.500 A 88 ILE CG1 C 13 28.104 0.500 A 88 ILE CG2 C 13 18.212 0.500 A 88 ILE N N 15 127.814 0.500 A 89 PHE H H 1 7.872 0.040 A 89 PHE HA H 1 5.681 0.040 A 89 PHE HBy H 1 2.938 0.040 A 89 PHE HBx H 1 2.828 0.040 A 89 PHE HDx H 1 7.028 0.040 A 89 PHE HEx H 1 6.919 0.040 A 89 PHE HZ H 1 7.079 0.040 A 89 PHE C C 13 175.138 0.500 A 89 PHE CA C 13 53.319 0.500 A 89 PHE CB C 13 39.41 0.500 A 89 PHE CDx C 13 131.252 0.500 A 89 PHE CEx C 13 131.193 0.500 A 89 PHE CZ C 13 131.285 0.500 A 89 PHE N N 15 125.156 0.500 A 90 ASP H H 1 8.74 0.040 A 90 ASP HA H 1 4.811 0.040 A 90 ASP HBy H 1 2.861 0.040 A 90 ASP HBx H 1 2.502 0.040 A 90 ASP C C 13 176.988 0.500 A 90 ASP CA C 13 54.501 0.500 A 90 ASP CB C 13 42.286 0.500 A 90 ASP N N 15 125.113 0.500 A 91 GLU H H 1 9.028 0.040 A 91 GLU HA H 1 4.374 0.040 A 91 GLU HBy H 1 2.237 0.040 A 91 GLU HBx H 1 1.959 0.040 A 91 GLU HGx H 1 2.397 0.040 A 91 GLU C C 13 175.801 0.500 A 91 GLU CA C 13 57.471 0.500 A 91 GLU CB C 13 31.192 0.500 A 91 GLU CG C 13 36.245 0.500 A 91 GLU N N 15 124.589 0.500 A 92 GLU H H 1 8.111 0.040 A 92 GLU HA H 1 4.171 0.040 A 92 GLU HBx H 1 1.947 0.040 A 92 GLU HGx H 1 2.265 0.040 A 92 GLU CA C 13 58.376 0.500 A 92 GLU CB C 13 31.986 0.500 A 92 GLU N N 15 126.584 0.500 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 89 PHE HA A 88 ILE H 1.0 1.9 6.0 2 2 A 89 PHE HA A 89 PHE H 1.0 1.9 4.1 3 3 A 89 PHE HA A 89 PHE HD% 1.0 1.8 3.6 4 4 A 16 PHE HA A 35 GLN HE2x 1.0 2.0 5.4 5 5 A 16 PHE HA A 16 PHE HZ 1.0 1.9 6.0 6 6 A 16 PHE HA A 90 ASP H 1.0 0.0 6.0 7 7 A 16 PHE HA A 16 PHE HD% 1.0 0.0 6.0 8 8 A 16 PHE HA A 15 HIS H 1.0 2.0 5.8 9 9 A 72 TYR HA A 73 LEU H 1.0 1.6 3.0 10 10 A 72 TYR HA A 72 TYR H 1.0 1.8 3.8 11 11 A 72 TYR HA A 72 TYR HD% 1.0 1.9 4.7 12 12 A 85 PHE HA A 85 PHE HD% 1.0 1.9 4.3 13 13 A 16 PHE HD% A 15 HIS HA 1.0 2.0 4.8 14 14 A 15 HIS HA A 15 HIS HD2 1.0 2.0 5.6 15 15 A 15 HIS HA A 16 PHE H 1.0 1.6 2.8 16 16 A 41 ASP HA A 41 ASP H 1.0 1.9 4.5 17 17 A 41 ASP HA A 48 MET H 1.0 0.0 6.0 18 18 A 41 ASP HA A 42 THR H 1.0 2.0 5.2 19 19 A 13 GLU HA A 86 HIS H 1.0 2.0 5.2 20 20 A 48 MET HA A 47 GLY H 1.0 0.0 6.0 21 21 A 73 LEU HA A 74 LYS H 1.0 1.6 3.0 22 22 A 89 PHE H A 70 GLU HA 1.0 1.9 4.1 23 23 A 89 PHE HD% A 70 GLU HA 1.0 0.0 6.0 24 24 A 86 HIS HA A 87 VAL H 1.0 1.7 2.9 25 25 A 17 PRO HA A 19 LYS H 1.0 2.0 6.0 26 26 A 36 MET HA A 36 MET H 1.0 1.9 4.9 27 27 A 36 MET HA A 37 GLY H 1.0 2.0 5.0 28 28 A 42 THR HA A 44 GLU H 1.0 1.9 4.3 29 29 A 42 THR H A 42 THR HA 1.0 1.9 4.1 30 30 A 66 PRO HA A 67 LYS H 1.0 1.9 5.3 31 31 A 82 SER HA A 82 SER H 1.0 1.7 3.3 32 32 A 43 PRO HA A 45 GLU H 1.0 1.9 4.3 33 33 A 43 PRO HA A 40 ASN H 1.0 0.0 6.0 34 34 A 34 ASN HA A 34 ASN H 1.0 1.8 3.6 35 35 A 34 ASN HA A 35 GLN H 1.0 1.9 4.9 36 36 A 37 GLY H A 34 ASN HA 1.0 2.0 6.0 37 37 A 34 ASN HA A 34 ASN HD2x 1.0 2.0 6.0 38 38 A 29 ASP HA A 30 GLU H 1.0 1.7 3.1 39 39 A 71 VAL HA A 71 VAL H 1.0 1.8 3.8 40 40 A 72 TYR HD% A 71 VAL HA 1.0 2.0 5.0 41 41 A 14 ILE HA A 16 PHE HE% 1.0 0.9 6.0 42 42 A 81 SER HA A 81 SER H 1.0 1.9 4.1 43 43 A 76 ARG HA A 76 ARG H 1.0 1.9 4.3 44 44 A 76 ARG HA A 77 ALA H 1.0 2.0 5.0 45 45 A 14 ILE HA A 13 GLU H 1.0 1.9 4.9 46 46 A 14 ILE HA A 14 ILE H 1.0 1.9 4.7 47 47 A 91 GLU HA A 18 LEU H 1.0 2.0 5.8 48 48 A 91 GLU HA A 91 GLU H 1.0 1.9 4.1 49 49 A 91 GLU HA A 92 GLU H 1.0 1.5 2.7 50 50 A 45 GLU H A 45 GLU HA 1.0 2.0 5.2 51 51 A 37 GLY H A 35 GLN HA 1.0 2.0 5.4 52 52 A 20 ARG HA A 20 ARG H 1.0 1.8 4.0 53 53 A 28 GLU HA A 29 ASP H 1.0 1.9 4.3 54 54 A 53 TRP HA A 53 TRP H 1.0 1.9 4.3 55 55 A 53 TRP HA A 53 TRP HE3 1.0 1.9 6.0 56 56 A 85 PHE HD% A 75 PRO HDx 1.0 0.0 6.0 57 57 A 26 TYR HA A 25 GLY H 1.0 2.0 6.0 58 58 A 88 ILE H A 87 VAL HA 1.0 1.6 2.8 59 59 A 68 ILE HA A 70 GLU H 1.0 1.9 6.0 60 60 A 77 ALA HA A 79 LYS H 1.0 1.8 4.0 61 61 A 68 ILE HA A 69 ARG H 1.0 1.6 3.0 62 62 A 10 VAL HA A 10 VAL H 1.0 1.8 4.0 63 63 A 24 GLU HA A 59 HIS HE1 1.0 2.0 5.6 64 64 A 34 ASN HD2x A 31 LEU HA 1.0 2.0 5.0 65 65 A 42 THR H A 42 THR HB 1.0 2.0 5.4 66 66 A 10 VAL HA A 11 ASP H 1.0 1.6 2.8 67 67 A 44 GLU H A 44 GLU HA 1.0 1.9 3.7 68 68 A 77 ALA H A 77 ALA HA 1.0 1.9 4.1 69 69 A 25 GLY H A 25 GLY HAx 1.0 1.8 3.4 70 70 A 16 PHE HD% A 17 PRO HDx 1.0 0.0 6.0 71 71 A 53 TRP H A 52 ALA HA 1.0 2.0 5.4 72 72 A 25 GLY HAx A 26 TYR H 1.0 1.8 3.8 73 73 A 42 THR H A 39 VAL HA 1.0 2.0 6.0 74 74 A 64 LYS HA A 65 ASN H 1.0 2.0 5.0 75 75 A 58 ALA HA A 59 HIS H 1.0 1.8 3.8 76 76 A 58 ALA HA A 89 PHE HZ 1.0 1.9 3.7 77 77 A 58 ALA HA A 89 PHE HE% 1.0 0.0 6.0 78 78 A 47 GLY H A 47 GLY HAx 1.0 1.7 3.1 79 79 A 62 LEU HA A 61 ALA H 1.0 1.1 6.0 80 80 A 48 MET H A 49 PRO HDx 1.0 1.9 6.0 81 81 A 75 PRO HA A 53 TRP HZ2 1.0 1.8 6.0 82 82 A 76 ARG H A 75 PRO HDy 1.0 0.0 6.0 83 83 A 75 PRO HDy A 53 TRP HH2 1.0 2.0 5.6 84 84 A 19 LYS H A 19 LYS HA 1.0 1.8 3.8 85 85 A 37 GLY H A 33 LEU HA 1.0 0.0 6.0 86 86 A 75 PRO HDy A 80 ASN HD2y 1.0 2.0 5.6 87 87 A 57 CYS HA A 57 CYS H 1.0 1.9 4.1 88 88 A 51 ARG HA A 51 ARG H 1.0 1.9 4.1 89 89 A 71 VAL H A 88 ILE HA 1.0 2.0 5.8 90 90 A 60 GLU HA A 63 GLU H 1.0 2.0 5.0 91 91 A 60 GLU HA A 59 HIS HD2 1.0 2.0 5.0 92 92 A 89 PHE HD% A 18 LEU HA 1.0 2.0 5.6 93 93 A 47 GLY H A 46 GLU HA 1.0 1.9 4.5 94 94 A 18 LEU H A 18 LEU HA 1.0 1.8 3.6 95 95 A 18 LEU HA A 21 ILE H 1.0 2.0 6.0 96 96 A 65 ASN H A 66 PRO HDx 1.0 1.9 4.1 97 97 A 53 TRP HBy A 53 TRP HD1 1.0 1.7 3.3 98 98 A 25 GLY H A 25 GLY HAy 1.0 1.9 4.3 99 99 A 26 TYR H A 25 GLY HAy 1.0 2.0 4.4 100 100 A 59 HIS H A 59 HIS HA 1.0 1.9 3.9 101 101 A 26 TYR H A 26 TYR HBx 1.0 1.7 3.1 102 102 A 26 TYR HBx A 26 TYR HD% 1.0 2.0 6.0 103 103 A 65 ASN H A 66 PRO HDy 1.0 2.0 6.0 104 104 A 16 PHE HD% A 17 PRO HDy 1.0 2.0 5.4 105 105 A 16 PHE H A 15 HIS HBx 1.0 2.0 5.2 106 106 A 15 HIS HD2 A 15 HIS HBx 1.0 2.0 6.0 107 107 A 16 PHE HZ A 55 ILE HA 1.0 2.0 6.0 108 108 A 16 PHE HE% A 55 ILE HA 1.0 1.9 4.7 109 109 A 53 TRP H A 76 ARG HDy 1.0 0.0 6.0 110 110 A 53 TRP HD1 A 76 ARG HDy 1.0 1.9 4.3 111 111 A 13 GLU H A 86 HIS HBx 1.0 2.0 6.0 112 112 A 40 ASN H A 40 ASN HBx 1.0 2.0 4.8 113 113 A 41 ASP H A 40 ASN HBx 1.0 0.0 6.0 114 114 A 86 HIS H A 85 PHE HBx 1.0 1.7 3.3 115 115 A 65 ASN HBx A 65 ASN HD2x 1.0 1.9 4.5 116 116 A 85 PHE HD% A 85 PHE HBx 1.0 1.7 3.5 117 117 A 41 ASP H A 40 ASN HBy 1.0 2.0 5.2 118 118 A 80 ASN HBx A 80 ASN HD2x 1.0 1.9 4.1 119 119 A 21 ILE H A 16 PHE HBx 1.0 0.0 6.0 120 120 A 16 PHE HD% A 16 PHE HBx 1.0 1.7 3.1 121 121 A 89 PHE H A 89 PHE HBy 1.0 1.6 3.0 122 122 A 35 GLN H A 35 GLN HGy 1.0 1.9 3.9 123 123 A 53 TRP HZ2 A 54 VAL HA 1.0 2.0 5.4 124 124 A 72 TYR H A 72 TYR HBx 1.0 1.9 4.7 125 125 A 15 HIS HD2 A 15 HIS HBy 1.0 2.0 6.0 126 126 A 73 LEU H A 72 TYR HBx 1.0 1.4 6.0 127 127 A 72 TYR HD% A 72 TYR HBx 1.0 1.8 3.8 128 128 A 86 HIS H A 85 PHE HBy 1.0 2.0 6.0 129 129 A 85 PHE HD% A 85 PHE HBy 1.0 1.8 3.8 130 130 A 59 HIS HD2 A 59 HIS HBx 1.0 1.8 6.0 131 131 A 81 SER H A 80 ASN HBy 1.0 1.9 3.9 132 132 A 86 HIS H A 86 HIS HBy 1.0 1.9 4.9 133 133 A 72 TYR HBy A 72 TYR HE% 1.0 2.0 6.0 134 134 A 80 ASN HD2x A 80 ASN HBy 1.0 2.0 5.0 135 135 A 16 PHE HD% A 16 PHE HBy 1.0 1.7 3.1 136 136 A 73 LEU H A 72 TYR HBy 1.0 2.0 6.0 137 137 A 72 TYR HD% A 72 TYR HBy 1.0 1.8 3.8 138 138 A 35 GLN HE2x A 35 GLN HBy 1.0 2.0 6.0 139 139 A 36 MET H A 35 GLN HBy 1.0 2.0 5.0 140 140 A 35 GLN HBy A 35 GLN HE2y 1.0 2.0 6.0 141 141 A 41 ASP H A 41 ASP HBy 1.0 1.8 3.4 142 142 A 18 LEU H A 17 PRO HBy 1.0 1.9 6.0 143 143 A 20 ARG H A 17 PRO HBy 1.0 1.9 6.0 144 144 A 26 TYR HD% A 26 TYR HBy 1.0 0.0 6.0 145 145 A 59 HIS HE1 A 26 TYR HBy 1.0 2.0 6.0 146 146 A 18 LEU H A 90 ASP HBy 1.0 2.0 6.0 147 147 A 91 GLU H A 90 ASP HBy 1.0 1.9 6.0 148 148 A 91 GLU H A 91 GLU HGy 1.0 1.9 4.5 149 149 A 92 GLU H A 91 GLU HGy 1.0 2.0 6.0 150 150 A 89 PHE H A 69 ARG HBx 1.0 1.9 5.5 151 151 A 45 GLU H A 43 PRO HBy 1.0 1.8 6.0 152 152 A 36 MET H A 36 MET HBy 1.0 2.0 4.8 153 153 A 46 GLU HBx A 53 TRP HE1 1.0 2.0 6.0 154 154 A 53 TRP HD1 A 46 GLU HBx 1.0 0.0 6.0 155 155 A 91 GLU H A 92 GLU HGy 1.0 2.0 5.8 156 156 A 53 TRP HH2 A 57 CYS HBy 1.0 1.9 6.0 157 157 A 51 ARG HBx A 55 ILE H 1.0 2.0 5.4 158 158 A 57 CYS H A 57 CYS HBy 1.0 1.7 3.3 159 159 A 72 TYR HE% A 70 GLU HGy 1.0 1.8 6.0 160 160 A 48 MET H A 48 MET HBy 1.0 1.9 4.3 161 161 A 84 GLN HBx A 85 PHE H 1.0 1.9 4.5 162 162 A 69 ARG H A 70 GLU HGy 1.0 2.0 5.6 163 163 A 84 GLN HGy A 84 GLN HE2x 1.0 0.0 6.0 164 164 A 28 GLU HBx A 28 GLU H 1.0 2.0 4.8 165 165 A 53 TRP HE1 A 75 PRO HGx 1.0 2.0 6.0 166 166 A 53 TRP HE3 A 54 VAL HB 1.0 2.0 4.8 167 167 A 59 HIS HBy A 60 GLU H 1.0 2.0 6.0 168 168 A 59 HIS HD2 A 59 HIS HBy 1.0 1.9 6.0 169 169 A 59 HIS HE1 A 59 HIS HBy 1.0 2.0 5.2 170 170 A 75 PRO HGx A 85 PHE HE% 1.0 1.9 4.1 171 171 A 69 ARG H A 68 ILE HB 1.0 1.6 3.0 172 172 A 28 GLU H A 28 GLU HGy 1.0 2.0 6.0 173 173 A 13 GLU H A 39 VAL HB 1.0 0.0 6.0 174 174 A 11 ASP H A 10 VAL HB 1.0 1.9 4.5 175 175 A 32 LEU HBx A 33 LEU H 1.0 1.9 4.1 176 176 A 20 ARG H A 20 ARG HBx 1.0 2.0 5.2 177 177 A 20 ARG HBx A 23 ALA H 1.0 0.0 6.0 178 178 A 73 LEU H A 73 LEU HBx 1.0 1.9 4.5 179 179 A 53 TRP HH2 A 73 LEU HBx 1.0 2.0 5.4 180 180 A 84 GLN HBy A 84 GLN H 1.0 1.9 4.1 181 181 A 19 LYS H A 17 PRO HBx 1.0 1.8 3.8 182 182 A 80 ASN HD2x A 75 PRO HGy 1.0 2.0 5.8 183 183 A 86 HIS H A 12 VAL HB 1.0 1.8 6.0 184 184 A 12 VAL HB A 12 VAL H 1.0 1.7 3.5 185 185 A 47 GLY H A 43 PRO HGx 1.0 2.0 6.0 186 186 A 55 ILE HG1x A 56 LYS H 1.0 1.9 5.1 187 187 A 85 PHE HE% A 75 PRO HGy 1.0 1.9 4.3 188 188 A 53 TRP HH2 A 75 PRO HGy 1.0 2.0 6.0 189 189 A 80 ASN HD2y A 75 PRO HGy 1.0 2.0 6.0 190 190 A 13 GLU H A 12 VAL HB 1.0 2.0 6.0 191 191 A 20 ARG H A 17 PRO HBx 1.0 1.8 3.6 192 192 A 76 ARG HBy A 78 VAL H 1.0 2.0 5.2 193 193 A 19 LYS H A 18 LEU HBx 1.0 1.6 2.8 194 194 A 63 GLU H A 63 GLU HBy 1.0 1.7 3.3 195 195 A 65 ASN H A 63 GLU HBy 1.0 1.9 6.0 196 196 A 20 ARG H A 19 LYS HBy 1.0 1.8 3.8 197 197 A 63 GLU HBy A 64 LYS H 1.0 1.8 3.6 198 198 A 18 LEU H A 18 LEU HBx 1.0 1.7 3.3 199 199 A 84 GLN H A 83 VAL HB 1.0 2.0 5.2 200 200 A 68 ILE HG1x A 68 ILE H 1.0 1.9 4.3 201 201 A 80 ASN HD2y A 83 VAL HB 1.0 2.0 5.8 202 202 A 56 LYS H A 55 ILE HB 1.0 1.8 3.6 203 203 A 55 ILE H A 55 ILE HB 1.0 1.9 4.1 204 204 A 44 GLU H A 44 GLU HBx 1.0 1.9 3.9 205 205 A 76 ARG H A 76 ARG HGy 1.0 1.9 4.1 206 206 A 53 TRP HH2 A 73 LEU HBy 1.0 2.0 6.0 207 207 A 73 LEU H A 73 LEU HBy 1.0 1.9 4.1 208 208 A 31 LEU HBy A 32 LEU H 1.0 1.9 5.7 209 209 A 31 LEU HBy A 31 LEU H 1.0 1.6 3.0 210 210 A 50 LEU HBy A 85 PHE HZ 1.0 2.0 6.0 211 211 A 89 PHE H A 70 GLU HBy 1.0 1.8 6.0 212 212 A 69 ARG H A 70 GLU HBy 1.0 0.0 6.0 213 213 A 44 GLU H A 44 GLU HBy 1.0 1.8 4.0 214 214 A 34 ASN H A 33 LEU HBy 1.0 1.9 3.9 215 215 A 35 GLN H A 33 LEU HBy 1.0 2.0 5.6 216 216 A 70 GLU H A 70 GLU HBy 1.0 1.9 6.0 217 217 A 85 PHE HZ A 50 LEU HG 1.0 1.9 4.7 218 218 A 34 ASN H A 33 LEU HG 1.0 2.0 5.2 219 219 A 71 VAL H A 61 ALA HB% 1.0 0.0 6.0 220 220 A 68 ILE H A 68 ILE HG1y 1.0 1.3 2.2 221 221 A 61 ALA H A 61 ALA HB% 1.0 1.7 3.1 222 222 A 67 LYS H A 68 ILE HG1y 1.0 1.8 3.8 223 223 A 65 ASN H A 61 ALA HB% 1.0 2.0 5.4 224 224 A 77 ALA H A 77 ALA HB% 1.0 1.8 3.4 225 225 A 19 LYS H A 19 LYS HGy 1.0 1.8 4.2 226 226 A 67 LYS H A 67 LYS HGy 1.0 1.9 4.5 227 227 A 18 LEU H A 18 LEU HBy 1.0 1.7 3.1 228 228 A 19 LYS H A 18 LEU HBy 1.0 2.0 5.2 229 229 A 82 SER H A 9 ALA HB% 1.0 0.0 6.0 230 230 A 14 ILE H A 14 ILE HB 1.0 1.8 3.4 231 231 A 22 ALA HB% A 22 ALA H 1.0 1.6 2.8 232 232 A 23 ALA H A 22 ALA HB% 1.0 1.9 4.5 233 233 A 63 GLU H A 62 LEU HBy 1.0 0.5 6.0 234 234 A 62 LEU HBy A 62 LEU H 1.0 1.6 2.6 235 235 A 89 PHE HE% A 62 LEU HBy 1.0 2.0 6.0 236 236 A 47 GLY H A 45 GLU HBx 1.0 2.0 5.6 237 237 A 89 PHE HE% A 62 LEU HG 1.0 2.0 6.0 238 238 A 40 ASN H A 39 VAL HGx% 1.0 0.0 6.0 239 239 A 85 PHE HZ A 45 GLU HBx 1.0 2.0 5.4 240 240 A 85 PHE HE% A 45 GLU HBx 1.0 2.0 6.0 241 241 A 40 ASN H A 39 VAL HGy% 1.0 1.9 4.9 242 242 A 69 ARG H A 68 ILE HG2% 1.0 2.0 6.0 243 243 A 89 PHE HE% A 21 ILE HG1x 1.0 1.9 4.7 244 244 A 53 TRP HZ2 A 50 LEU HDx% 1.0 1.9 4.1 245 245 A 16 PHE HD% A 21 ILE HG1y 1.0 2.0 4.8 246 246 A 85 PHE HD% A 12 VAL HGx% 1.0 1.9 4.5 247 247 A 11 ASP H A 10 VAL HGx% 1.0 1.9 3.9 248 248 A 68 ILE H A 68 ILE HD1% 1.0 2.0 6.0 249 249 A 89 PHE HE% A 68 ILE HD1% 1.0 1.8 4.0 250 250 A 70 GLU H A 68 ILE HD1% 1.0 2.0 6.0 251 251 A 68 ILE HD1% A 65 ASN HD2y 1.0 1.8 3.6 252 252 A 55 ILE H A 55 ILE HG2% 1.0 2.0 6.0 253 253 A 55 ILE HG2% A 26 TYR HE% 1.0 1.8 4.0 254 254 A 71 VAL H A 71 VAL HGx% 1.0 2.0 6.0 255 255 A 13 GLU H A 12 VAL HGy% 1.0 0.7 6.0 256 256 A 73 LEU H A 71 VAL HGy% 1.0 1.9 5.3 257 257 A 72 TYR H A 71 VAL HGy% 1.0 0.0 6.0 258 258 A 89 PHE HE% A 71 VAL HGy% 1.0 2.0 4.4 259 259 A 16 PHE HZ A 55 ILE HD1% 1.0 1.9 4.7 260 260 A 84 GLN H A 83 VAL HGx% 1.0 2.0 6.0 261 261 A 80 ASN HD2x A 83 VAL HGx% 1.0 1.7 3.3 262 262 A 21 ILE H A 21 ILE HG2% 1.0 1.6 2.8 263 263 A 89 PHE HE% A 21 ILE HG2% 1.0 1.9 4.5 264 264 A 15 HIS HD2 A 88 ILE HG2% 1.0 2.0 5.4 265 265 A 59 HIS HD2 A 21 ILE HD1% 1.0 1.9 4.3 266 266 A 53 TRP HZ2 A 73 LEU HDx% 1.0 2.0 6.0 267 267 A 59 HIS H A 21 ILE HD1% 1.0 1.9 4.7 268 268 A 16 PHE HZ A 55 ILE HG1y 1.0 1.7 3.3 269 269 A 80 ASN HD2y A 45 GLU HGx 1.0 1.9 4.9 270 270 A 55 ILE H A 54 VAL HGx% 1.0 1.8 4.0 271 271 A 16 PHE HZ A 54 VAL HGx% 1.0 1.8 3.8 272 272 A 16 PHE HE% A 54 VAL HGx% 1.0 2.0 6.0 273 273 A 54 VAL HGx% A 54 VAL H 1.0 1.8 3.8 274 274 A 54 VAL H A 54 VAL HGy% 1.0 1.9 3.9 275 275 A 59 HIS HD2 A 62 LEU H 1.0 1.9 6.0 276 276 A 80 ASN HD2y A 83 VAL HGy% 1.0 0.0 6.0 277 277 A 87 VAL H A 87 VAL HGx% 1.0 2.0 4.6 278 278 A 88 ILE H A 87 VAL HGx% 1.0 1.9 4.9 279 279 A 85 PHE HE% A 83 VAL HGy% 1.0 1.9 4.1 280 280 A 85 PHE HZ A 83 VAL HGy% 1.0 1.9 4.7 281 281 A 83 VAL HGy% A 83 VAL H 1.0 2.0 6.0 282 282 A 15 HIS HE1 A 88 ILE HG1y 1.0 2.0 6.0 283 282 A 88 ILE HG1x A 15 HIS HE1 1.0 2.0 6.0 284 283 A 67 LYS H A 62 LEU HDy% 1.0 2.0 6.0 285 284 A 87 VAL H A 87 VAL HGy% 1.0 1.9 4.7 286 285 A 16 PHE HD% A 87 VAL HGy% 1.0 1.8 4.0 287 286 A 89 PHE HE% A 87 VAL HGy% 1.0 1.9 4.5 288 287 A 71 VAL H A 87 VAL HGy% 1.0 2.0 6.0 289 288 A 88 ILE H A 88 ILE HB 1.0 1.8 3.4 290 289 A 15 HIS HE1 A 88 ILE HB 1.0 0.0 6.0 291 290 A 16 PHE HE% A 14 ILE HG2% 1.0 1.8 3.6 292 291 A 16 PHE HD% A 14 ILE HG2% 1.0 2.0 5.8 293 292 A 16 PHE HZ A 14 ILE HG2% 1.0 2.0 4.8 294 293 A 35 GLN HBy A 32 LEU HBy 1.0 1.9 6.0 295 294 A 19 LYS H A 20 ARG H 1.0 1.8 3.8 296 295 A 16 PHE HZ A 16 PHE HE% 1.0 1.6 3.0 297 296 A 26 TYR H A 26 TYR HD% 1.0 1.8 3.8 298 297 A 65 ASN HD2x A 65 ASN HD2y 1.0 1.4 2.2 299 298 A 34 ASN HD2x A 34 ASN HD2y 1.0 1.4 2.2 300 299 A 16 PHE HZ A 16 PHE HD% 1.0 0.3 6.0 301 300 A 70 GLU H A 89 PHE HE% 1.0 0.0 6.0 302 301 A 63 GLU H A 59 HIS HD2 1.0 1.9 4.3 303 302 A 26 TYR H A 27 ALA H 1.0 1.8 4.0 304 303 A 59 HIS HD2 A 60 GLU H 1.0 2.0 6.0 305 304 A 53 TRP HZ2 A 53 TRP HH2 1.0 1.7 3.3 306 305 A 59 HIS HE1 A 23 ALA H 1.0 2.0 6.0 307 306 A 84 GLN HE2x A 84 GLN HE2y 1.0 1.4 2.2 308 307 A 36 MET H A 35 GLN H 1.0 1.9 4.1 309 308 A 53 TRP HZ2 A 54 VAL H 1.0 1.8 6.0 310 309 A 85 PHE HD% A 86 HIS H 1.0 2.0 6.0 311 310 A 85 PHE HD% A 85 PHE H 1.0 0.0 6.0 312 311 A 53 TRP HD1 A 53 TRP HE1 1.0 1.8 3.6 313 312 A 86 HIS H A 12 VAL H 1.0 2.0 6.0 314 313 A 59 HIS H A 57 CYS H 1.0 1.9 5.1 315 314 A 48 MET H A 47 GLY H 1.0 1.9 4.5 316 315 A 65 ASN H A 68 ILE HD1% 1.0 2.0 5.2 317 316 A 53 TRP HH2 A 14 ILE HD1% 1.0 2.0 6.0 318 317 A 16 PHE HD% A 87 VAL HGx% 1.0 2.0 5.4 319 318 A 67 LYS H A 62 LEU HDx% 1.0 2.0 6.0 320 319 A 63 GLU H A 62 LEU HDy% 1.0 2.0 6.0 321 320 A 89 PHE HA A 89 PHE HBx 1.0 1.8 3.6 322 321 A 89 PHE HA A 89 PHE HBy 1.0 1.9 4.1 323 322 A 16 PHE HA A 16 PHE HBx 1.0 1.8 3.4 324 323 A 16 PHE HA A 16 PHE HBy 1.0 2.0 4.8 325 324 A 72 TYR HA A 72 TYR HBx 1.0 1.9 4.3 326 325 A 72 TYR HA A 72 TYR HBy 1.0 1.9 4.1 327 326 A 74 LYS HA A 74 LYS HBy 1.0 1.9 4.3 328 327 A 85 PHE HA A 85 PHE HBy 1.0 1.8 4.0 329 328 A 15 HIS HA A 15 HIS HBx 1.0 1.8 3.8 330 329 A 15 HIS HA A 15 HIS HBy 1.0 2.0 5.0 331 330 A 15 HIS HA A 88 ILE HB 1.0 1.8 4.0 332 331 A 41 ASP HA A 41 ASP HBx 1.0 1.9 4.1 333 332 A 41 ASP HA A 41 ASP HBy 1.0 1.9 4.7 334 333 A 13 GLU HA A 86 HIS HBx 1.0 1.9 5.1 335 334 A 13 GLU HA A 13 GLU HBy 1.0 1.9 4.9 336 335 A 48 MET HA A 48 MET HBy 1.0 2.0 5.4 337 336 A 11 ASP HA A 11 ASP HBy 1.0 0.0 6.0 338 337 A 12 VAL HGy% A 11 ASP HA 1.0 2.0 5.2 339 338 A 48 MET HA A 49 PRO HDx 1.0 1.9 4.7 340 339 A 73 LEU HA A 73 LEU HBy 1.0 1.9 4.5 341 340 A 73 LEU HA A 73 LEU HG 1.0 1.9 4.9 342 341 A 70 GLU HA A 70 GLU HBx 1.0 1.8 3.8 343 342 A 66 PRO HDx A 65 ASN HA 1.0 1.7 3.3 344 343 A 66 PRO HDy A 65 ASN HA 1.0 1.7 2.9 345 344 A 65 ASN HA A 66 PRO HGy 1.0 2.0 6.0 346 345 A 69 ARG HA A 69 ARG HBy 1.0 2.0 5.4 347 346 A 70 GLU HA A 70 GLU HBy 1.0 1.8 3.6 348 347 A 89 PHE HBx A 69 ARG HA 1.0 2.0 6.0 349 348 A 69 ARG HBx A 69 ARG HA 1.0 1.8 4.0 350 349 A 66 PRO HA A 62 LEU HDx% 1.0 2.0 5.0 351 350 A 66 PRO HA A 62 LEU HDy% 1.0 1.8 3.8 352 351 A 43 PRO HA A 45 GLU HBx 1.0 0.0 6.0 353 352 A 71 VAL HA A 71 VAL HGy% 1.0 1.9 6.0 354 353 A 76 ARG HA A 77 ALA HB% 1.0 2.0 5.6 355 354 A 83 VAL HGy% A 83 VAL HA 1.0 1.9 4.9 356 355 A 14 ILE HA A 14 ILE HG2% 1.0 1.8 3.6 357 356 A 14 ILE HA A 14 ILE HB 1.0 1.7 3.3 358 357 A 20 ARG HA A 20 ARG HGy 1.0 2.0 5.2 359 358 A 20 ARG HA A 23 ALA HB% 1.0 1.9 4.9 360 359 A 28 GLU HA A 28 GLU HBy 1.0 1.9 4.1 361 360 A 21 ILE HA A 21 ILE HB 1.0 1.4 2.4 362 361 A 55 ILE HG2% A 21 ILE HA 1.0 1.9 4.3 363 362 A 23 ALA HB% A 23 ALA HA 1.0 1.6 3.0 364 363 A 87 VAL HA A 14 ILE HB 1.0 1.9 3.9 365 364 A 87 VAL HA A 14 ILE HD1% 1.0 2.0 4.8 366 365 A 87 VAL HA A 87 VAL HGx% 1.0 1.8 3.8 367 366 A 87 VAL HA A 88 ILE HB 1.0 2.0 6.0 368 367 A 87 VAL HA A 87 VAL HB 1.0 1.9 4.3 369 368 A 68 ILE HA A 68 ILE HG1y 1.0 2.0 5.0 370 369 A 68 ILE HA A 67 LYS HBy 1.0 0.0 6.0 371 370 A 44 GLU HA A 44 GLU HBx 1.0 1.8 3.6 372 371 A 68 ILE HA A 68 ILE HG2% 1.0 1.7 3.3 373 372 A 42 THR HB A 42 THR HG2% 1.0 1.8 3.4 374 373 A 50 LEU HG A 50 LEU HA 1.0 1.9 4.5 375 374 A 77 ALA HA A 77 ALA HB% 1.0 1.8 3.4 376 375 A 12 VAL HGx% A 12 VAL HA 1.0 2.0 5.4 377 376 A 12 VAL HGy% A 12 VAL HA 1.0 1.9 4.1 378 377 A 52 ALA HA A 52 ALA HB% 1.0 1.6 3.0 379 378 A 22 ALA HB% A 22 ALA HA 1.0 1.6 2.8 380 379 A 39 VAL HA A 39 VAL HGx% 1.0 1.9 4.9 381 380 A 64 LYS HA A 64 LYS HBy 1.0 1.7 3.1 382 381 A 47 GLY HAx A 43 PRO HGy 1.0 1.9 3.9 383 382 A 61 ALA HB% A 61 ALA HA 1.0 1.6 2.8 384 383 A 62 LEU HA A 68 ILE HG1y 1.0 1.9 4.9 385 384 A 32 LEU HBy A 32 LEU HA 1.0 1.5 2.7 386 385 A 62 LEU HA A 68 ILE HG2% 1.0 2.0 5.8 387 386 A 62 LEU HA A 62 LEU HDx% 1.0 1.8 4.2 388 387 A 32 LEU HA A 32 LEU HDx% 1.0 1.8 3.4 389 388 A 33 LEU HA A 33 LEU HG 1.0 1.7 3.5 390 389 A 19 LYS HA A 18 LEU HG 1.0 0.0 6.0 391 390 A 75 PRO HDy A 83 VAL HGx% 1.0 1.8 3.6 392 391 A 19 LYS HA A 22 ALA HB% 1.0 2.0 4.8 393 392 A 75 PRO HDy A 74 LYS HGx 1.0 1.8 3.6 394 392 A 75 PRO HDy A 74 LYS HGy 1.0 1.8 3.6 395 393 A 51 ARG HA A 51 ARG HBy 1.0 1.8 3.6 396 394 A 88 ILE HA A 88 ILE HG1y 1.0 1.7 3.1 397 394 A 88 ILE HA A 88 ILE HG1x 1.0 1.7 3.1 398 395 A 88 ILE HA A 88 ILE HB 1.0 2.0 5.0 399 396 A 18 LEU HA A 18 LEU HBx 1.0 1.7 3.5 400 397 A 18 LEU HA A 18 LEU HG 1.0 1.8 4.0 401 398 A 18 LEU HA A 18 LEU HBy 1.0 1.7 3.1 402 399 A 18 LEU HA A 21 ILE HG1x 1.0 2.0 6.0 403 400 A 46 GLU HA A 45 GLU HBy 1.0 2.0 5.8 404 401 A 18 LEU HA A 21 ILE HG2% 1.0 1.6 2.8 405 402 A 63 GLU HBy A 63 GLU HA 1.0 1.7 3.1 406 403 A 62 LEU HBy A 63 GLU HA 1.0 1.9 4.3 407 404 A 50 LEU HG A 47 GLY HAy 1.0 1.9 4.3 408 405 A 43 PRO HGy A 43 PRO HDx 1.0 1.8 3.8 409 406 A 43 PRO HGy A 43 PRO HDy 1.0 1.9 4.1 410 407 A 59 HIS HA A 62 LEU HBy 1.0 2.0 6.0 411 408 A 59 HIS HA A 21 ILE HG1x 1.0 1.8 3.6 412 409 A 17 PRO HDy A 31 LEU HDx% 1.0 2.0 5.8 413 410 A 17 PRO HDy A 32 LEU HDx% 1.0 1.9 4.3 414 411 A 17 PRO HDy A 32 LEU HBy 1.0 0.0 6.0 415 412 A 55 ILE HA A 58 ALA HB% 1.0 2.0 4.4 416 413 A 55 ILE HA A 55 ILE HB 1.0 2.0 5.2 417 414 A 76 ARG HDy A 76 ARG HBy 1.0 2.0 4.8 418 415 A 76 ARG HDy A 76 ARG HGy 1.0 1.8 3.8 419 416 A 20 ARG HDy A 20 ARG HBy 1.0 1.9 4.3 420 417 A 65 ASN HBx A 68 ILE HG2% 1.0 2.0 5.2 421 418 A 74 LYS HEy A 74 LYS HDy 1.0 1.9 4.5 422 419 A 29 ASP HBx A 32 LEU HG 1.0 2.0 6.0 423 420 A 67 LYS HGy A 67 LYS HEy 1.0 1.9 4.3 424 421 A 80 ASN HBx A 83 VAL HGx% 1.0 1.8 4.0 425 422 A 16 PHE HBx A 87 VAL HGx% 1.0 1.7 6.0 426 423 A 54 VAL HA A 54 VAL HGy% 1.0 1.8 3.6 427 424 A 66 PRO HA A 66 PRO HGx 1.0 2.0 6.0 428 425 A 66 PRO HA A 66 PRO HBx 1.0 1.7 3.5 429 426 A 43 PRO HA A 43 PRO HBy 1.0 1.7 3.1 430 427 A 82 SER HA A 74 LYS HEy 1.0 0.0 6.0 431 428 A 43 PRO HA A 43 PRO HBx 1.0 1.7 3.3 432 429 A 29 ASP HA A 29 ASP HBx 1.0 1.9 4.7 433 430 A 29 ASP HA A 29 ASP HBy 1.0 1.7 3.5 434 431 A 71 VAL HA A 71 VAL HB 1.0 1.8 3.4 435 432 A 38 LYS HA A 38 LYS HBx 1.0 1.9 4.5 436 433 A 76 ARG HA A 76 ARG HBx 1.0 1.9 4.7 437 434 A 91 GLU HA A 91 GLU HBx 1.0 1.9 5.5 438 435 A 20 ARG HA A 20 ARG HDy 1.0 2.0 5.4 439 436 A 35 GLN HA A 35 GLN HGy 1.0 2.0 5.0 440 437 A 26 TYR HBy A 21 ILE HA 1.0 1.9 4.5 441 438 A 53 TRP HA A 76 ARG HDy 1.0 0.0 6.0 442 439 A 75 PRO HDx A 75 PRO HGy 1.0 2.0 5.4 443 440 A 75 PRO HDx A 75 PRO HGx 1.0 1.8 3.8 444 441 A 92 GLU HA A 92 GLU HBy 1.0 1.8 3.8 445 442 A 17 PRO HDx A 17 PRO HGx 1.0 1.6 2.8 446 443 A 17 PRO HDx A 17 PRO HDy 1.0 1.5 2.5 447 444 A 59 HIS HBx A 56 LYS HA 1.0 1.9 4.1 448 445 A 39 VAL HA A 39 VAL HB 1.0 1.7 3.5 449 446 A 59 HIS HA A 59 HIS HBx 1.0 1.9 4.3 450 447 A 26 TYR HBx A 26 TYR HBy 1.0 1.5 2.3 451 448 A 15 HIS HBx A 15 HIS HBy 1.0 1.4 2.2 452 449 A 66 PRO HDx A 66 PRO HDy 1.0 1.5 2.3 453 450 A 53 TRP HBy A 76 ARG HDy 1.0 0.0 6.0 454 451 A 75 PRO HDx A 75 PRO HDy 1.0 1.7 3.3 455 452 A 49 PRO HDx A 49 PRO HGy 1.0 1.7 3.3 456 453 A 49 PRO HDx A 49 PRO HGx 1.0 1.8 3.6 457 454 A 57 CYS HA A 57 CYS HBy 1.0 1.7 3.3 458 455 A 75 PRO HDy A 75 PRO HGx 1.0 1.6 3.0 459 456 A 75 PRO HDy A 75 PRO HGy 1.0 1.6 3.0 460 457 A 51 ARG HA A 51 ARG HBx 1.0 1.8 3.8 461 458 A 46 GLU HA A 46 GLU HGy 1.0 1.9 3.9 462 459 A 66 PRO HDx A 66 PRO HGy 1.0 1.7 3.3 463 460 A 46 GLU HA A 46 GLU HBx 1.0 1.7 3.3 464 461 A 53 TRP HBy A 54 VAL HB 1.0 1.9 4.3 465 462 A 66 PRO HDx A 66 PRO HGx 1.0 1.8 3.6 466 463 A 63 GLU HA A 66 PRO HBx 1.0 1.9 4.3 467 464 A 25 GLY HAy A 28 GLU HGy 1.0 0.0 6.0 468 465 A 49 PRO HGy A 49 PRO HDy 1.0 1.7 3.1 469 466 A 43 PRO HGx A 43 PRO HDy 1.0 1.9 6.0 470 467 A 66 PRO HDy A 66 PRO HGx 1.0 1.9 4.5 471 468 A 17 PRO HDy A 17 PRO HGy 1.0 1.9 3.9 472 469 A 55 ILE HA A 56 LYS HBy 1.0 2.0 6.0 473 470 A 62 LEU HDy% A 62 LEU HBx 1.0 1.9 4.3 474 471 A 14 ILE HB A 14 ILE HG2% 1.0 1.5 2.7 475 472 A 62 LEU HBy A 62 LEU HDy% 1.0 1.7 3.5 476 473 A 50 LEU HDx% A 50 LEU HBx 1.0 1.8 3.6 477 474 A 39 VAL HB A 39 VAL HGy% 1.0 1.9 4.1 478 475 A 71 VAL HGy% A 71 VAL HB 1.0 1.7 3.3 479 476 A 54 VAL HGy% A 36 MET HE% 1.0 1.9 4.1 480 477 A 83 VAL HB A 83 VAL HGy% 1.0 1.1 2.2 481 478 A 87 VAL HGx% A 87 VAL HB 1.0 1.7 3.3 482 479 A 87 VAL HGx% A 58 ALA HB% 1.0 1.8 6.0 483 480 A 32 LEU HDx% A 32 LEU HG 1.0 1.9 3.9 484 481 A 61 ALA HB% A 71 VAL HGx% 1.0 1.7 3.3 485 481 A 61 ALA HB% A 71 VAL HGy% 1.0 1.7 3.3 486 482 A 62 LEU HDx% A 62 LEU HBx 1.0 1.8 3.6 487 483 A 62 LEU HBy A 62 LEU HDx% 1.0 1.6 3.0 488 484 A 62 LEU HG A 62 LEU HDx% 1.0 1.9 4.1 489 485 A 88 ILE HG1y A 88 ILE HD1% 1.0 1.5 2.7 490 486 A 65 ASN H A 64 LYS H 1.0 1.8 3.8 491 487 A 53 TRP H A 54 VAL H 1.0 1.9 3.9 492 488 A 57 CYS H A 58 ALA H 1.0 1.8 3.4 493 489 A 72 TYR HD% A 72 TYR HE% 1.0 1.6 2.8 494 490 A 35 GLN HBy A 14 ILE HG2% 1.0 2.0 4.6 495 491 A 16 PHE HD% A 32 LEU HDx% 1.0 1.8 3.8 496 492 A 16 PHE HZ A 32 LEU HDx% 1.0 2.0 5.0 497 493 A 85 PHE HE% A 50 LEU HDx% 1.0 1.7 3.3 498 494 A 85 PHE HZ A 50 LEU HDx% 1.0 1.8 3.6 499 495 A 53 TRP HZ2 A 54 VAL HGy% 1.0 1.7 3.5 500 496 A 89 PHE HD% A 62 LEU HDx% 1.0 0.0 6.0 501 497 A 89 PHE HE% A 62 LEU HDx% 1.0 0.0 6.0 502 498 A 89 PHE HD% A 62 LEU HDy% 1.0 2.0 5.4 503 499 A 15 HIS HE1 A 88 ILE HD1% 1.0 1.9 4.5 504 500 A 36 MET HBy A 39 VAL H 1.0 2.0 6.0 505 501 A 32 LEU H A 32 LEU HA 1.0 1.9 4.5 506 502 A 27 ALA H A 27 ALA HA 1.0 1.7 3.1 507 503 A 34 ASN H A 34 ASN HD2x 1.0 2.0 6.0 508 504 A 34 ASN HD2x A 31 LEU H 1.0 1.9 6.0 509 505 A 84 GLN HE2x A 84 GLN HBy 1.0 2.0 6.0 510 506 A 84 GLN HE2x A 84 GLN HA 1.0 2.0 6.0 511 507 A 34 ASN HD2x A 31 LEU HDx% 1.0 1.7 6.0 512 508 A 34 ASN HD2x A 30 GLU HBy 1.0 2.0 6.0 513 509 A 34 ASN HD2x A 30 GLU HGy 1.0 1.9 6.0 514 510 A 34 ASN HD2x A 34 ASN HBy 1.0 1.8 3.6 515 511 A 47 GLY H A 46 GLU H 1.0 1.9 4.3 516 512 A 47 GLY H A 49 PRO HDy 1.0 1.5 2.7 517 513 A 47 GLY H A 46 GLU HGy 1.0 1.6 6.0 518 514 A 47 GLY H A 50 LEU HBy 1.0 1.9 4.9 519 515 A 25 GLY H A 24 GLU HA 1.0 1.7 3.5 520 516 A 25 GLY H A 24 GLU HBy 1.0 1.9 4.5 521 517 A 25 GLY H A 23 ALA HB% 1.0 2.0 5.0 522 518 A 18 LEU H A 20 ARG H 1.0 2.0 6.0 523 519 A 89 PHE HA A 18 LEU H 1.0 2.0 6.0 524 520 A 17 PRO HA A 18 LEU H 1.0 1.6 2.8 525 521 A 18 LEU H A 90 ASP HBx 1.0 1.8 6.0 526 522 A 18 LEU H A 17 PRO HGx 1.0 1.9 6.0 527 523 A 18 LEU H A 18 LEU HD1% 1.0 2.0 5.8 528 524 A 13 GLU H A 15 HIS HE1 1.0 1.8 6.0 529 525 A 13 GLU HA A 13 GLU H 1.0 1.9 4.1 530 526 A 13 GLU H A 12 VAL HA 1.0 1.5 2.7 531 527 A 13 GLU H A 13 GLU HGy 1.0 1.7 3.1 532 528 A 13 GLU H A 12 VAL HGx% 1.0 1.8 3.8 533 529 A 30 GLU H A 29 ASP H 1.0 1.9 6.0 534 530 A 30 GLU H A 30 GLU HA 1.0 1.8 4.0 535 531 A 30 GLU H A 29 ASP HBx 1.0 1.9 6.0 536 532 A 30 GLU H A 30 GLU HGy 1.0 2.0 5.6 537 533 A 30 GLU H A 30 GLU HBy 1.0 1.8 3.6 538 534 A 30 GLU H A 31 LEU HBy 1.0 0.0 6.0 539 535 A 30 GLU H A 31 LEU HDx% 1.0 0.5 6.0 540 536 A 13 GLU HA A 14 ILE H 1.0 1.6 2.8 541 537 A 14 ILE H A 13 GLU HGy 1.0 2.0 5.2 542 538 A 88 ILE H A 86 HIS HA 1.0 0.0 6.0 543 539 A 88 ILE H A 88 ILE HA 1.0 1.9 4.9 544 540 A 88 ILE H A 87 VAL HB 1.0 1.9 4.9 545 541 A 88 ILE H A 87 VAL HGy% 1.0 1.9 4.1 546 542 A 86 HIS H A 87 VAL H 1.0 2.0 6.0 547 543 A 73 LEU H A 87 VAL H 1.0 1.9 6.0 548 544 A 87 VAL H A 87 VAL HA 1.0 2.0 5.8 549 545 A 87 VAL H A 85 PHE HBy 1.0 0.0 6.0 550 546 A 87 VAL H A 86 HIS HBy 1.0 1.8 6.0 551 547 A 87 VAL H A 71 VAL HB 1.0 2.0 5.4 552 548 A 87 VAL H A 87 VAL HB 1.0 1.7 3.1 553 549 A 87 VAL H A 71 VAL HGy% 1.0 2.0 6.0 554 550 A 91 GLU H A 92 GLU H 1.0 2.0 5.6 555 551 A 17 PRO HA A 92 GLU H 1.0 2.0 6.0 556 552 A 92 GLU H A 92 GLU HA 1.0 2.0 5.2 557 553 A 92 GLU H A 90 ASP HBx 1.0 0.0 6.0 558 554 A 92 GLU H A 91 GLU HBx 1.0 2.0 4.8 559 555 A 92 GLU H A 92 GLU HBy 1.0 1.9 4.7 560 556 A 77 ALA H A 79 LYS H 1.0 2.0 6.0 561 557 A 90 ASP H A 18 LEU H 1.0 1.8 4.0 562 558 A 41 ASP H A 40 ASN H 1.0 1.7 6.0 563 559 A 40 ASN H A 39 VAL H 1.0 2.0 6.0 564 560 A 90 ASP H A 15 HIS HD2 1.0 1.9 6.0 565 561 A 89 PHE HD% A 90 ASP H 1.0 1.5 6.0 566 562 A 72 TYR H A 72 TYR HD% 1.0 2.0 5.4 567 563 A 89 PHE HA A 90 ASP H 1.0 1.6 2.8 568 564 A 41 ASP HA A 40 ASN H 1.0 2.0 5.4 569 565 A 40 ASN H A 40 ASN HA 1.0 1.8 3.8 570 566 A 72 TYR H A 71 VAL HA 1.0 1.6 2.6 571 567 A 40 ASN H A 39 VAL HA 1.0 1.6 2.8 572 568 A 90 ASP H A 18 LEU HA 1.0 1.9 6.0 573 569 A 40 ASN H A 40 ASN HBy 1.0 1.7 3.3 574 570 A 90 ASP H A 90 ASP HBx 1.0 2.0 5.4 575 571 A 90 ASP H A 18 LEU HBy 1.0 1.9 6.0 576 572 A 72 TYR H A 71 VAL HGx% 1.0 1.9 4.7 577 573 A 90 ASP H A 88 ILE HG2% 1.0 2.0 5.6 578 574 A 90 ASP H A 88 ILE HB 1.0 2.0 5.2 579 575 A 85 PHE HA A 86 HIS H 1.0 1.7 2.9 580 576 A 86 HIS H A 86 HIS HA 1.0 1.9 4.5 581 577 A 86 HIS H A 86 HIS HBx 1.0 1.9 4.1 582 578 A 89 PHE H A 71 VAL H 1.0 1.8 6.0 583 579 A 89 PHE H A 89 PHE HD% 1.0 2.0 4.8 584 580 A 89 PHE H A 88 ILE HA 1.0 1.6 2.6 585 581 A 89 PHE H A 89 PHE HBx 1.0 1.9 4.5 586 582 A 89 PHE H A 70 GLU HBx 1.0 1.9 6.0 587 583 A 89 PHE H A 88 ILE HG2% 1.0 1.8 3.4 588 584 A 89 PHE H A 88 ILE HG1x 1.0 1.8 6.0 589 584 A 89 PHE H A 88 ILE HG1y 1.0 1.8 6.0 590 585 A 10 VAL H A 9 ALA H 1.0 1.9 6.0 591 586 A 11 ASP H A 11 ASP HA 1.0 1.8 3.8 592 587 A 11 ASP H A 83 VAL HA 1.0 0.0 6.0 593 588 A 9 ALA H A 82 SER HBy 1.0 1.9 6.0 594 589 A 11 ASP H A 11 ASP HBy 1.0 1.8 3.6 595 590 A 9 ALA HB% A 9 ALA H 1.0 1.8 4.0 596 591 A 11 ASP H A 83 VAL HGy% 1.0 1.9 6.0 597 592 A 74 LYS H A 53 TRP HZ2 1.0 2.0 6.0 598 593 A 74 LYS H A 53 TRP HH2 1.0 1.9 5.1 599 594 A 74 LYS H A 74 LYS HA 1.0 1.9 4.1 600 595 A 74 LYS H A 84 GLN HA 1.0 1.3 6.0 601 596 A 74 LYS H A 75 PRO HDx 1.0 1.9 6.0 602 597 A 74 LYS H A 75 PRO HDy 1.0 2.0 6.0 603 598 A 74 LYS H A 74 LYS HBx 1.0 1.9 4.7 604 599 A 74 LYS H A 74 LYS HBy 1.0 1.9 4.3 605 600 A 74 LYS H A 73 LEU HDx% 1.0 1.8 3.8 606 601 A 90 ASP H A 91 GLU H 1.0 1.1 6.0 607 602 A 91 GLU H A 90 ASP HA 1.0 1.6 2.8 608 603 A 91 GLU H A 90 ASP HBx 1.0 1.9 4.9 609 604 A 91 GLU H A 91 GLU HBx 1.0 2.0 5.8 610 605 A 91 GLU H A 91 GLU HBy 1.0 1.8 4.0 611 606 A 55 ILE H A 58 ALA H 1.0 2.0 6.0 612 607 A 85 PHE HD% A 12 VAL H 1.0 1.9 6.0 613 608 A 12 VAL H A 11 ASP HA 1.0 1.7 3.1 614 609 A 12 VAL H A 84 GLN HA 1.0 1.8 6.0 615 610 A 85 PHE HBy A 12 VAL H 1.0 1.7 6.0 616 611 A 57 CYS HBy A 58 ALA H 1.0 1.9 3.9 617 612 A 58 ALA H A 73 LEU HDy% 1.0 1.8 3.8 618 613 A 15 HIS H A 16 PHE HE% 1.0 2.0 6.0 619 614 A 15 HIS H A 15 HIS HA 1.0 1.9 4.3 620 615 A 15 HIS H A 14 ILE HA 1.0 1.7 2.9 621 616 A 15 HIS H A 15 HIS HBx 1.0 2.0 5.8 622 617 A 15 HIS H A 15 HIS HBy 1.0 1.7 3.5 623 618 A 15 HIS H A 14 ILE HB 1.0 2.0 6.0 624 619 A 15 HIS H A 14 ILE HG2% 1.0 1.8 3.6 625 620 A 87 VAL HGy% A 58 ALA H 1.0 1.9 6.0 626 621 A 19 LYS H A 22 ALA H 1.0 0.0 6.0 627 622 A 20 ARG H A 22 ALA H 1.0 2.0 6.0 628 623 A 22 ALA H A 21 ILE HG1x 1.0 1.8 6.0 629 624 A 22 ALA H A 21 ILE HG2% 1.0 1.8 3.4 630 625 A 85 PHE HA A 84 GLN H 1.0 1.9 6.0 631 626 A 84 GLN H A 11 ASP HA 1.0 2.0 6.0 632 627 A 84 GLN H A 84 GLN HA 1.0 2.0 6.0 633 628 A 84 GLN H A 83 VAL HA 1.0 1.6 2.8 634 629 A 84 GLN HBx A 84 GLN H 1.0 1.9 5.1 635 630 A 84 GLN H A 9 ALA HB% 1.0 1.8 6.0 636 631 A 84 GLN H A 12 VAL HGy% 1.0 2.0 5.0 637 632 A 39 VAL H A 38 LYS H 1.0 2.0 6.0 638 633 A 80 ASN HD2y A 83 VAL H 1.0 0.0 6.0 639 634 A 39 VAL H A 40 ASN HA 1.0 1.8 6.0 640 635 A 38 LYS HA A 39 VAL H 1.0 2.0 4.8 641 636 A 39 VAL HA A 39 VAL H 1.0 1.8 4.2 642 637 A 39 VAL HB A 39 VAL H 1.0 1.8 3.8 643 638 A 39 VAL H A 38 LYS HBy 1.0 1.9 4.7 644 639 A 39 VAL HGx% A 39 VAL H 1.0 1.9 3.9 645 640 A 47 GLY HAx A 46 GLU H 1.0 1.9 6.0 646 641 A 46 GLU HA A 46 GLU H 1.0 1.6 3.0 647 642 A 46 GLU HBx A 46 GLU H 1.0 1.9 4.5 648 643 A 43 PRO HBx A 46 GLU H 1.0 2.0 6.0 649 644 A 77 ALA HB% A 46 GLU H 1.0 0.0 6.0 650 645 A 45 GLU HBx A 46 GLU H 1.0 2.0 5.8 651 646 A 45 GLU HGx A 46 GLU H 1.0 1.8 6.0 652 647 A 46 GLU H A 45 GLU HGy 1.0 2.0 6.0 653 648 A 73 LEU H A 73 LEU HA 1.0 2.0 5.4 654 649 A 73 LEU H A 86 HIS HA 1.0 2.0 5.2 655 650 A 73 LEU H A 85 PHE HBx 1.0 2.0 5.8 656 651 A 73 LEU H A 86 HIS HBy 1.0 2.0 6.0 657 652 A 73 LEU H A 84 GLN HBx 1.0 1.9 6.0 658 653 A 73 LEU H A 73 LEU HG 1.0 2.0 5.2 659 654 A 73 LEU H A 73 LEU HDx% 1.0 1.9 5.1 660 655 A 25 GLY H A 27 ALA H 1.0 2.0 5.8 661 656 A 27 ALA H A 27 ALA HB% 1.0 1.7 3.1 662 657 A 76 ARG H A 77 ALA H 1.0 1.7 3.1 663 658 A 76 ARG H A 75 PRO HA 1.0 1.7 3.1 664 659 A 76 ARG H A 76 ARG HBy 1.0 1.7 2.9 665 660 A 76 ARG H A 45 GLU HGy 1.0 2.0 6.0 666 661 A 84 GLN H A 83 VAL H 1.0 2.0 6.0 667 662 A 83 VAL H A 84 GLN HA 1.0 2.0 6.0 668 663 A 82 SER HA A 83 VAL H 1.0 1.8 3.8 669 664 A 83 VAL H A 83 VAL HA 1.0 1.8 3.8 670 665 A 83 VAL H A 82 SER HBy 1.0 0.0 6.0 671 666 A 84 GLN HGy A 83 VAL H 1.0 0.1 6.0 672 667 A 83 VAL HB A 83 VAL H 1.0 1.8 3.6 673 668 A 9 ALA HB% A 83 VAL H 1.0 1.9 6.0 674 669 A 83 VAL HGx% A 83 VAL H 1.0 1.9 3.9 675 670 A 45 GLU H A 44 GLU HA 1.0 1.7 3.5 676 671 A 45 GLU H A 46 GLU HGy 1.0 2.0 6.0 677 672 A 45 GLU H A 44 GLU HGy 1.0 2.0 6.0 678 673 A 45 GLU H A 44 GLU HBy 1.0 1.8 6.0 679 674 A 45 GLU H A 45 GLU HBx 1.0 1.9 4.1 680 675 A 45 GLU H A 45 GLU HBy 1.0 1.8 4.0 681 676 A 59 HIS H A 61 ALA H 1.0 2.0 6.0 682 677 A 61 ALA H A 63 GLU H 1.0 1.6 6.0 683 678 A 61 ALA H A 59 HIS HD2 1.0 1.9 6.0 684 679 A 61 ALA H A 61 ALA HA 1.0 1.8 3.4 685 680 A 61 ALA H A 60 GLU HBy 1.0 1.9 4.3 686 681 A 61 ALA H A 62 LEU HBx 1.0 2.0 6.0 687 682 A 53 TRP H A 51 ARG H 1.0 1.8 6.0 688 683 A 53 TRP H A 53 TRP HBy 1.0 1.7 3.3 689 684 A 53 TRP H A 54 VAL HB 1.0 1.9 6.0 690 685 A 53 TRP H A 52 ALA HB% 1.0 1.8 3.8 691 686 A 53 TRP H A 50 LEU HDx% 1.0 2.0 6.0 692 687 A 53 TRP H A 54 VAL HGx% 1.0 1.9 6.0 693 688 A 44 GLU H A 43 PRO HBx 1.0 2.0 5.8 694 689 A 85 PHE HA A 85 PHE H 1.0 1.9 4.5 695 690 A 85 PHE H A 11 ASP HA 1.0 0.0 6.0 696 691 A 85 PHE H A 84 GLN HA 1.0 1.7 3.3 697 692 A 75 PRO HDx A 85 PHE H 1.0 2.0 6.0 698 693 A 85 PHE H A 84 GLN HBy 1.0 2.0 5.8 699 694 A 35 GLN HE2x A 31 LEU H 1.0 1.3 6.0 700 695 A 33 LEU H A 31 LEU H 1.0 2.0 5.2 701 696 A 29 ASP HA A 31 LEU H 1.0 1.9 5.3 702 697 A 53 TRP HA A 54 VAL H 1.0 1.9 4.9 703 698 A 31 LEU HA A 31 LEU H 1.0 1.9 3.9 704 699 A 53 TRP HBy A 54 VAL H 1.0 1.8 4.2 705 700 A 55 ILE HA A 56 LYS H 1.0 2.0 5.6 706 701 A 31 LEU H A 29 ASP HBx 1.0 1.8 6.0 707 702 A 54 VAL HA A 54 VAL H 1.0 1.9 4.3 708 703 A 31 LEU H A 30 GLU HGy 1.0 2.0 5.6 709 704 A 54 VAL HB A 54 VAL H 1.0 1.6 3.0 710 705 A 56 LYS H A 56 LYS HBy 1.0 1.7 3.1 711 706 A 50 LEU HDx% A 54 VAL H 1.0 2.0 5.6 712 707 A 31 LEU H A 32 LEU HBy 1.0 2.0 5.8 713 708 A 56 LYS H A 55 ILE HG2% 1.0 2.0 4.8 714 709 A 34 ASN HA A 38 LYS H 1.0 1.8 4.0 715 710 A 38 LYS H A 37 GLY HAy 1.0 2.0 4.8 716 711 A 38 LYS H A 38 LYS HBy 1.0 1.9 4.3 717 712 A 10 VAL H A 84 GLN HE2y 1.0 2.0 6.0 718 713 A 48 MET H A 48 MET HA 1.0 1.9 4.3 719 714 A 10 VAL H A 9 ALA HA 1.0 1.6 2.8 720 715 A 48 MET H A 47 GLY HAx 1.0 1.8 3.6 721 716 A 10 VAL H A 82 SER HBy 1.0 2.0 6.0 722 717 A 48 MET H A 47 GLY HAy 1.0 1.9 5.1 723 718 A 48 MET H A 48 MET HGy 1.0 2.0 5.0 724 719 A 48 MET H A 48 MET HBx 1.0 1.9 4.1 725 720 A 48 MET H A 48 MET HE% 1.0 2.0 5.4 726 721 A 10 VAL H A 10 VAL HB 1.0 1.8 3.6 727 722 A 10 VAL H A 83 VAL HB 1.0 2.0 6.0 728 723 A 48 MET H A 50 LEU HBy 1.0 2.0 5.8 729 724 A 10 VAL H A 9 ALA HB% 1.0 2.0 5.2 730 725 A 10 VAL H A 10 VAL HGx% 1.0 1.9 4.5 731 726 A 51 ARG H A 54 VAL H 1.0 1.9 6.0 732 727 A 54 VAL H A 52 ALA H 1.0 2.0 5.0 733 728 A 88 ILE H A 15 HIS HD2 1.0 1.7 6.0 734 729 A 29 ASP H A 28 GLU H 1.0 1.7 3.3 735 730 A 29 ASP HA A 29 ASP H 1.0 1.9 4.3 736 731 A 58 ALA HA A 62 LEU H 1.0 1.8 4.2 737 732 A 62 LEU H A 63 GLU HA 1.0 2.0 6.0 738 733 A 29 ASP H A 29 ASP HBx 1.0 1.9 3.9 739 734 A 29 ASP H A 29 ASP HBy 1.0 1.7 3.5 740 735 A 29 ASP H A 28 GLU HBx 1.0 2.0 5.6 741 736 A 29 ASP H A 28 GLU HGy 1.0 2.0 6.0 742 737 A 62 LEU H A 64 LYS HBy 1.0 1.9 6.0 743 738 A 63 GLU HBy A 62 LEU H 1.0 2.0 6.0 744 739 A 62 LEU H A 62 LEU HBx 1.0 1.6 2.8 745 740 A 62 LEU H A 68 ILE HD1% 1.0 2.0 6.0 746 741 A 15 HIS HD2 A 88 ILE HG1y 1.0 1.9 6.0 747 742 A 26 TYR HD% A 23 ALA H 1.0 0.0 6.0 748 743 A 23 ALA H A 23 ALA HA 1.0 1.8 3.6 749 744 A 23 ALA H A 63 GLU HGy 1.0 2.0 6.0 750 745 A 23 ALA H A 21 ILE HG1x 1.0 2.0 6.0 751 746 A 23 ALA H A 21 ILE HG2% 1.0 1.9 6.0 752 747 A 26 TYR HA A 24 GLU H 1.0 0.0 6.0 753 748 A 24 GLU HBy A 24 GLU H 1.0 1.8 3.4 754 749 A 23 ALA HB% A 24 GLU H 1.0 1.7 3.3 755 750 A 69 ARG H A 69 ARG HA 1.0 1.8 4.0 756 751 A 69 ARG H A 69 ARG HBx 1.0 2.0 5.6 757 752 A 69 ARG H A 68 ILE HG1x 1.0 1.9 3.9 758 753 A 34 ASN H A 30 GLU HGy 1.0 1.9 6.0 759 754 A 59 HIS HE1 A 26 TYR H 1.0 2.0 6.0 760 755 A 26 TYR H A 23 ALA H 1.0 0.0 6.0 761 756 A 26 TYR HA A 26 TYR H 1.0 1.8 3.4 762 757 A 26 TYR H A 26 TYR HBy 1.0 2.0 5.0 763 758 A 26 TYR H A 24 GLU HBy 1.0 2.0 5.6 764 759 A 26 TYR H A 27 ALA HB% 1.0 2.0 6.0 765 760 A 69 ARG H A 68 ILE H 1.0 1.4 6.0 766 761 A 68 ILE H A 65 ASN HD2y 1.0 1.9 6.0 767 762 A 68 ILE H A 69 ARG HA 1.0 1.9 6.0 768 763 A 66 PRO HA A 68 ILE H 1.0 1.9 6.0 769 764 A 68 ILE HA A 68 ILE H 1.0 1.8 3.4 770 765 A 65 ASN HBx A 68 ILE H 1.0 0.0 6.0 771 766 A 68 ILE H A 62 LEU HDx% 1.0 2.0 6.0 772 767 A 34 ASN H A 31 LEU HA 1.0 1.9 6.0 773 768 A 34 ASN H A 33 LEU HA 1.0 2.0 5.4 774 769 A 34 ASN H A 34 ASN HBy 1.0 1.7 3.3 775 770 A 34 ASN H A 33 LEU HBx 1.0 1.7 3.3 776 771 A 34 ASN H A 35 GLN H 1.0 1.8 3.6 777 772 A 35 GLN H A 35 GLN HE2y 1.0 2.0 6.0 778 773 A 35 GLN H A 35 GLN HA 1.0 1.9 4.5 779 774 A 35 GLN H A 32 LEU HA 1.0 1.9 4.7 780 775 A 35 GLN H A 35 GLN HBy 1.0 1.9 4.7 781 776 A 35 GLN H A 33 LEU HBx 1.0 1.9 5.1 782 777 A 35 GLN H A 31 LEU HDx% 1.0 2.0 6.0 783 778 A 76 ARG HA A 78 VAL H 1.0 1.9 6.0 784 779 A 77 ALA HA A 78 VAL H 1.0 1.8 3.4 785 780 A 78 VAL H A 78 VAL HB 1.0 1.8 4.0 786 781 A 78 VAL H A 77 ALA HB% 1.0 2.0 6.0 787 782 A 78 VAL H A 78 VAL HGx% 1.0 1.8 3.6 788 783 A 53 TRP H A 55 ILE H 1.0 2.0 5.6 789 784 A 59 HIS H A 55 ILE H 1.0 1.9 6.0 790 785 A 63 GLU H A 63 GLU HA 1.0 1.7 3.3 791 786 A 63 GLU H A 59 HIS HA 1.0 2.0 6.0 792 787 A 55 ILE HA A 55 ILE H 1.0 1.9 4.1 793 788 A 63 GLU H A 66 PRO HBy 1.0 1.8 6.0 794 789 A 55 ILE H A 55 ILE HG1x 1.0 1.4 2.2 795 790 A 63 GLU H A 61 ALA HB% 1.0 2.0 5.6 796 791 A 55 ILE H A 55 ILE HG1y 1.0 1.9 4.7 797 792 A 51 ARG H A 52 ALA H 1.0 1.9 3.9 798 793 A 55 ILE H A 52 ALA H 1.0 2.0 5.2 799 794 A 48 MET HA A 52 ALA H 1.0 1.8 6.0 800 795 A 53 TRP HA A 52 ALA H 1.0 2.0 6.0 801 796 A 52 ALA HA A 52 ALA H 1.0 1.8 4.0 802 797 A 51 ARG HA A 52 ALA H 1.0 1.8 6.0 803 798 A 49 PRO HDy A 52 ALA H 1.0 2.0 6.0 804 799 A 51 ARG HBx A 52 ALA H 1.0 1.8 4.0 805 800 A 54 VAL HB A 52 ALA H 1.0 2.0 6.0 806 801 A 55 ILE HG1x A 52 ALA H 1.0 0.0 6.0 807 802 A 52 ALA HB% A 52 ALA H 1.0 1.7 3.1 808 803 A 55 ILE HG2% A 52 ALA H 1.0 2.0 6.0 809 804 A 16 PHE HD% A 16 PHE H 1.0 2.0 4.8 810 805 A 16 PHE H A 87 VAL HA 1.0 1.1 6.0 811 806 A 16 PHE H A 15 HIS HBy 1.0 2.0 5.4 812 807 A 16 PHE H A 16 PHE HBy 1.0 1.8 3.8 813 808 A 16 PHE H A 88 ILE HG2% 1.0 2.0 6.0 814 809 A 16 PHE H A 87 VAL HGy% 1.0 0.0 6.0 815 810 A 59 HIS H A 60 GLU H 1.0 1.9 4.5 816 811 A 63 GLU H A 60 GLU H 1.0 2.0 6.0 817 812 A 60 GLU H A 62 LEU H 1.0 1.8 6.0 818 813 A 60 GLU HA A 60 GLU H 1.0 1.8 3.6 819 814 A 59 HIS HA A 60 GLU H 1.0 2.0 5.4 820 815 A 60 GLU H A 60 GLU HGy 1.0 1.7 3.5 821 816 A 60 GLU H A 60 GLU HBy 1.0 1.7 3.5 822 817 A 82 SER H A 80 ASN HA 1.0 2.0 5.8 823 818 A 35 GLN H A 33 LEU H 1.0 1.9 6.0 824 819 A 36 MET H A 33 LEU H 1.0 1.9 6.0 825 820 A 34 ASN HA A 33 LEU H 1.0 1.9 6.0 826 821 A 33 LEU HA A 33 LEU H 1.0 1.8 3.6 827 822 A 33 LEU H A 29 ASP HBx 1.0 0.0 6.0 828 823 A 33 LEU H A 29 ASP HBy 1.0 0.0 6.0 829 824 A 33 LEU H A 33 LEU HBx 1.0 1.7 3.3 830 825 A 33 LEU H A 33 LEU HDx% 1.0 2.0 4.6 831 826 A 19 LYS H A 21 ILE H 1.0 1.9 6.0 832 827 A 20 ARG H A 21 ILE H 1.0 1.7 3.1 833 828 A 21 ILE H A 23 ALA H 1.0 2.0 6.0 834 829 A 21 ILE H A 21 ILE HA 1.0 1.8 3.8 835 830 A 21 ILE H A 17 PRO HDy 1.0 1.9 6.0 836 831 A 21 ILE H A 20 ARG HBx 1.0 1.9 4.7 837 832 A 21 ILE H A 20 ARG HBy 1.0 1.9 4.7 838 833 A 21 ILE H A 21 ILE HB 1.0 1.8 3.8 839 834 A 73 LEU H A 71 VAL H 1.0 1.9 6.0 840 835 A 72 TYR H A 71 VAL H 1.0 2.0 5.2 841 836 A 70 GLU HA A 71 VAL H 1.0 1.6 2.8 842 837 A 71 VAL H A 71 VAL HB 1.0 1.9 4.5 843 838 A 71 VAL H A 71 VAL HGy% 1.0 1.8 3.8 844 839 A 71 VAL H A 87 VAL HGx% 1.0 1.9 4.7 845 840 A 31 LEU HA A 32 LEU H 1.0 0.9 6.0 846 841 A 32 LEU H A 29 ASP HBx 1.0 1.9 6.0 847 842 A 32 LEU HBx A 32 LEU H 1.0 1.8 3.6 848 843 A 32 LEU H A 32 LEU HG 1.0 1.9 4.1 849 844 A 32 LEU H A 32 LEU HBy 1.0 1.8 3.4 850 845 A 32 LEU H A 32 LEU HDx% 1.0 2.0 6.0 851 846 A 70 GLU H A 69 ARG H 1.0 1.5 2.3 852 847 A 36 MET H A 34 ASN H 1.0 1.9 6.0 853 848 A 89 PHE HD% A 70 GLU H 1.0 2.0 5.2 854 849 A 70 GLU HA A 70 GLU H 1.0 1.8 4.0 855 850 A 36 MET H A 33 LEU HA 1.0 2.0 5.2 856 851 A 36 MET H A 35 GLN HGy 1.0 1.8 6.0 857 852 A 70 GLU H A 68 ILE HB 1.0 1.9 4.5 858 853 A 70 GLU H A 68 ILE HG1x 1.0 1.4 6.0 859 854 A 36 MET H A 32 LEU HG 1.0 2.0 5.2 860 855 A 70 GLU H A 88 ILE HG1y 1.0 1.8 6.0 861 856 A 53 TRP HA A 57 CYS H 1.0 1.9 6.0 862 857 A 57 CYS H A 54 VAL HA 1.0 2.0 6.0 863 858 A 57 CYS H A 73 LEU HDy% 1.0 2.0 5.8 864 859 A 41 ASP H A 42 THR H 1.0 1.7 3.3 865 860 A 41 ASP H A 43 PRO HA 1.0 2.0 6.0 866 861 A 41 ASP H A 41 ASP HBx 1.0 1.8 4.0 867 862 A 41 ASP H A 42 THR HG2% 1.0 2.0 5.8 868 863 A 63 GLU H A 64 LYS H 1.0 1.6 3.0 869 864 A 64 LYS H A 62 LEU H 1.0 1.9 6.0 870 865 A 64 LYS H A 65 ASN HA 1.0 1.5 6.0 871 866 A 64 LYS HA A 64 LYS H 1.0 1.7 3.5 872 867 A 64 LYS H A 64 LYS HBy 1.0 1.6 2.8 873 868 A 59 HIS H A 59 HIS HBx 1.0 1.7 3.3 874 869 A 59 HIS H A 59 HIS HBy 1.0 1.7 3.1 875 870 A 59 HIS H A 58 ALA HB% 1.0 1.8 3.4 876 871 A 59 HIS H A 62 LEU HBx 1.0 2.0 6.0 877 872 A 59 HIS H A 62 LEU HBy 1.0 2.0 6.0 878 873 A 59 HIS H A 21 ILE HG1x 1.0 0.0 6.0 879 874 A 67 LYS H A 65 ASN HA 1.0 2.0 5.6 880 875 A 67 LYS H A 65 ASN HBx 1.0 2.0 4.6 881 876 A 67 LYS H A 67 LYS HEy 1.0 2.0 5.2 882 877 A 67 LYS H A 68 ILE HG2% 1.0 1.2 6.0 883 878 A 28 GLU H A 27 ALA H 1.0 1.8 3.6 884 879 A 25 GLY HAx A 28 GLU H 1.0 1.0 6.0 885 880 A 28 GLU H A 29 ASP HBx 1.0 2.0 6.0 886 881 A 28 GLU H A 29 ASP HBy 1.0 0.2 6.0 887 882 A 28 GLU H A 28 GLU HBy 1.0 1.8 4.0 888 883 A 28 GLU H A 27 ALA HB% 1.0 1.9 4.1 889 884 A 65 ASN H A 65 ASN HA 1.0 1.9 4.1 890 885 A 65 ASN H A 61 ALA HA 1.0 0.0 6.0 891 886 A 65 ASN H A 65 ASN HBx 1.0 1.9 4.7 892 887 A 65 ASN H A 65 ASN HBy 1.0 2.0 5.8 893 888 A 65 ASN H A 64 LYS HBy 1.0 1.8 3.4 894 889 A 65 ASN H A 68 ILE HG1y 1.0 1.9 6.0 895 890 A 20 ARG H A 19 LYS HA 1.0 1.9 4.3 896 891 A 20 ARG H A 17 PRO HDy 1.0 1.9 6.0 897 892 A 20 ARG H A 20 ARG HBy 1.0 1.6 2.8 898 893 A 20 ARG H A 21 ILE HG2% 1.0 1.9 6.0 899 894 A 19 LYS H A 18 LEU H 1.0 1.8 4.0 900 895 A 19 LYS H A 91 GLU HA 1.0 2.0 6.0 901 896 A 19 LYS H A 89 PHE HBx 1.0 1.8 6.0 902 897 A 19 LYS H A 17 PRO HGx 1.0 1.9 6.0 903 898 A 51 ARG H A 40 ASN HD2x 1.0 2.0 6.0 904 899 A 40 ASN HD2x A 40 ASN HD2y 1.0 1.5 2.3 905 900 A 48 MET HA A 40 ASN HD2x 1.0 1.9 4.9 906 901 A 40 ASN HA A 40 ASN HD2x 1.0 1.5 2.5 907 902 A 82 SER HA A 81 SER H 1.0 1.9 6.0 908 903 A 40 ASN HBy A 40 ASN HD2x 1.0 2.0 5.8 909 904 A 51 ARG H A 50 LEU HA 1.0 2.0 6.0 910 905 A 51 ARG H A 51 ARG HBx 1.0 1.7 3.1 911 906 A 51 ARG H A 55 ILE HG1x 1.0 0.0 6.0 912 907 A 51 ARG H A 51 ARG HBy 1.0 2.0 4.6 913 908 A 51 ARG H A 14 ILE HD1% 1.0 1.9 6.0 914 909 A 42 THR H A 41 ASP HBy 1.0 2.0 6.0 915 910 A 42 THR H A 42 THR HG2% 1.0 1.8 4.0 916 911 A 77 ALA H A 78 VAL H 1.0 2.0 5.4 917 912 A 77 ALA H A 75 PRO HA 1.0 0.0 6.0 918 913 A 77 ALA H A 76 ARG HBy 1.0 1.8 3.6 919 914 A 37 GLY H A 38 LYS H 1.0 2.0 6.0 920 915 A 36 MET H A 37 GLY H 1.0 1.8 3.8 921 916 A 37 GLY H A 37 GLY HAy 1.0 1.7 3.1 922 917 A 76 ARG H A 53 TRP HE1 1.0 2.0 5.2 923 918 A 53 TRP HZ2 A 53 TRP HE1 1.0 1.9 3.7 924 919 A 53 TRP HE1 A 45 GLU HGx 1.0 2.0 5.4 925 920 A 53 TRP HE1 A 45 GLU HGy 1.0 2.0 6.0 926 921 A 83 VAL H A 84 GLN HE2y 1.0 0.0 6.0 927 922 A 82 SER HA A 84 GLN HE2y 1.0 1.9 6.0 928 923 A 84 GLN HGy A 84 GLN HE2y 1.0 2.0 5.8 929 924 A 84 GLN HBy A 84 GLN HE2y 1.0 0.0 6.0 930 925 A 80 ASN HD2y A 80 ASN HD2x 1.0 1.5 2.5 931 926 A 80 ASN HD2y A 80 ASN HA 1.0 2.0 4.6 932 927 A 45 GLU HA A 80 ASN HD2y 1.0 2.0 5.4 933 928 A 75 PRO HDx A 80 ASN HD2y 1.0 1.8 6.0 934 929 A 48 MET HA A 40 ASN HD2y 1.0 1.8 3.8 935 930 A 40 ASN HA A 40 ASN HD2y 1.0 1.9 5.1 936 931 A 47 GLY HAx A 40 ASN HD2y 1.0 0.1 6.0 937 932 A 51 ARG HA A 40 ASN HD2y 1.0 1.9 6.0 938 933 A 40 ASN HBy A 40 ASN HD2y 1.0 1.9 6.0 939 934 A 30 GLU H A 34 ASN HD2y 1.0 2.0 6.0 940 935 A 69 ARG H A 65 ASN HD2y 1.0 1.8 6.0 941 936 A 34 ASN H A 34 ASN HD2y 1.0 1.9 6.0 942 937 A 35 GLN HE2y A 31 LEU H 1.0 0.0 6.0 943 938 A 35 GLN HE2x A 35 GLN HE2y 1.0 1.3 2.2 944 939 A 64 LYS H A 65 ASN HD2y 1.0 0.0 6.0 945 940 A 15 HIS HA A 35 GLN HE2y 1.0 0.0 6.0 946 941 A 17 PRO HA A 35 GLN HE2y 1.0 0.0 6.0 947 942 A 31 LEU HA A 34 ASN HD2y 1.0 2.0 6.0 948 943 A 35 GLN HE2y A 32 LEU HA 1.0 1.8 6.0 949 944 A 34 ASN HD2y A 34 ASN HBy 1.0 2.0 6.0 950 945 A 16 PHE HBx A 35 GLN HE2y 1.0 0.0 6.0 951 946 A 34 ASN HD2y A 30 GLU HGy 1.0 2.0 6.0 952 947 A 35 GLN HE2y A 31 LEU HBx 1.0 2.0 6.0 953 948 A 65 ASN HD2y A 62 LEU HBx 1.0 1.4 6.0 954 949 A 80 ASN HD2x A 80 ASN HA 1.0 1.9 4.5 955 950 A 45 GLU HA A 80 ASN HD2x 1.0 2.0 6.0 956 951 A 35 GLN HE2x A 15 HIS H 1.0 1.7 6.0 957 952 A 35 GLN HE2x A 35 GLN HGy 1.0 1.8 4.2 958 953 A 65 ASN HD2x A 65 ASN HA 1.0 2.0 6.0 959 954 A 65 ASN HD2x A 65 ASN HBy 1.0 1.8 3.8 960 955 A 65 ASN HD2x A 68 ILE HB 1.0 1.8 6.0 961 956 A 65 ASN HD2x A 67 LYS HBy 1.0 2.0 5.2 962 957 A 65 ASN HD2x A 68 ILE HG2% 1.0 1.9 4.5 963 958 A 35 GLN HE2x A 34 ASN HD2x 1.0 0.0 6.0 964 959 A 84 GLN H A 12 VAL H 1.0 0.0 6.0 965 960 A 85 PHE HA A 12 VAL H 1.0 1.9 4.3 966 961 A 14 ILE H A 87 VAL HA 1.0 1.9 4.7 967 962 A 89 PHE HA A 16 PHE H 1.0 1.8 3.6 968 963 A 23 ALA H A 22 ALA H 1.0 1.7 3.3 969 964 A 23 ALA H A 24 GLU H 1.0 1.9 6.0 970 965 A 25 GLY H A 24 GLU H 1.0 2.0 4.8 971 966 A 25 GLY H A 26 TYR H 1.0 1.9 4.9 972 967 A 30 GLU H A 31 LEU H 1.0 1.9 3.9 973 968 A 32 LEU H A 31 LEU H 1.0 1.7 3.3 974 969 A 33 LEU H A 32 LEU H 1.0 1.8 3.4 975 970 A 34 ASN H A 33 LEU H 1.0 1.8 3.8 976 971 A 53 TRP HE1 A 73 LEU HDy% 1.0 2.0 6.0 977 972 A 53 TRP H A 52 ALA H 1.0 1.8 3.6 978 973 A 55 ILE H A 54 VAL H 1.0 1.8 3.6 979 974 A 55 ILE H A 56 LYS H 1.0 1.7 3.5 980 975 A 59 HIS H A 58 ALA H 1.0 1.6 3.0 981 976 A 61 ALA H A 60 GLU H 1.0 1.8 3.6 982 977 A 61 ALA H A 62 LEU H 1.0 1.7 3.3 983 978 A 63 GLU H A 62 LEU H 1.0 1.8 3.4 984 979 A 86 HIS H A 14 ILE H 1.0 2.0 6.0 985 980 A 87 VAL H A 71 VAL H 1.0 1.8 4.0 986 981 A 72 TYR HA A 87 VAL H 1.0 0.0 6.0 987 982 A 88 ILE H A 15 HIS HA 1.0 1.8 4.0 988 983 A 19 LYS HEy A 19 LYS HDy 1.0 1.3 2.2 989 984 A 74 LYS HEy A 84 GLN HA 1.0 0.0 6.0 990 985 A 47 GLY HAx A 47 GLY HAy 1.0 1.2 2.2 991 986 A 64 LYS HBy A 63 GLU HA 1.0 0.0 6.0 992 987 A 74 LYS HGx A 74 LYS HEy 1.0 1.5 2.5 993 987 A 74 LYS HGy A 74 LYS HEy 1.0 1.5 2.5 994 988 A 51 ARG HBx A 36 MET HE% 1.0 1.5 2.5 995 989 A 31 LEU HBy A 31 LEU HBx 1.0 1.3 2.2 996 990 A 25 GLY HAx A 25 GLY HAy 1.0 1.4 2.2 997 991 A 19 LYS HA A 19 LYS HBy 1.0 1.5 2.7 998 992 A 49 PRO HDx A 49 PRO HDy 1.0 1.3 2.2 999 993 A 40 ASN HBx A 40 ASN HBy 1.0 1.4 2.2 1000 994 A 74 LYS HDy A 84 GLN HA 1.0 0.0 6.0 1001 995 A 66 PRO HBx A 66 PRO HBy 1.0 1.4 2.2 1002 996 A 28 GLU HBx A 28 GLU HBy 1.0 1.4 2.2 1003 997 A 74 LYS HGy A 78 VAL HGx% 1.0 0.0 6.0 1004 997 A 74 LYS HGx A 78 VAL HGx% 1.0 0.0 6.0 1005 998 A 31 LEU HDx% A 31 LEU HG 1.0 1.6 2.8 1006 999 A 39 VAL HGy% A 12 VAL HGx% 1.0 1.6 2.8 1007 1000 A 90 ASP HBy A 90 ASP HBx 1.0 1.4 2.4 1008 1001 A 27 ALA HA A 27 ALA HB% 1.0 1.6 2.8 1009 1002 A 44 GLU HBx A 83 VAL HGy% 1.0 0.0 6.0 1010 1003 A 18 LEU HG A 18 LEU HD1% 1.0 1.6 2.8 1011 1004 A 16 PHE HD% A 58 ALA HB% 1.0 0.0 6.0 1012 1005 A 80 ASN HBx A 80 ASN HBy 1.0 1.4 2.2 1013 1006 A 54 VAL HGx% A 36 MET HE% 1.0 1.6 2.8 1014 1007 A 14 ILE HB A 14 ILE HD1% 1.0 1.6 2.8 1015 1008 A 87 VAL HGy% A 87 VAL HB 1.0 1.6 2.8 1016 1009 A 88 ILE HG2% A 88 ILE HB 1.0 1.5 2.7 1017 1010 A 33 LEU HA A 33 LEU HBy 1.0 1.6 2.8 1018 1011 A 39 VAL HA A 12 VAL HGx% 1.0 0.0 6.0 1019 1012 A 78 VAL HGx% A 78 VAL HA 1.0 1.6 3.0 1020 1013 A 18 LEU HBx A 18 LEU HBy 1.0 1.4 2.2 1021 1014 A 32 LEU HBx A 32 LEU HBy 1.0 1.4 2.2 1022 1015 A 54 VAL HGy% A 14 ILE HD1% 1.0 1.7 3.1 1023 1016 A 33 LEU HA A 33 LEU HBx 1.0 1.7 3.1 1024 1017 A 20 ARG HGy A 20 ARG HDy 1.0 1.6 3.0 1025 1018 A 57 CYS HBy A 73 LEU HDx% 1.0 0.0 6.0 1026 1019 A 23 ALA H A 23 ALA HB% 1.0 1.7 2.9 1027 1020 A 62 LEU HG A 62 LEU HDy% 1.0 1.6 2.8 1028 1021 A 58 ALA HA A 58 ALA HB% 1.0 1.6 2.8 1029 1022 A 40 ASN HBy A 41 ASP HBy 1.0 0.0 6.0 1030 1023 A 39 VAL HGy% A 36 MET HE% 1.0 1.7 3.1 1031 1024 A 50 LEU HG A 50 LEU HDx% 1.0 1.6 2.8 1032 1025 A 50 LEU HBy A 50 LEU HBx 1.0 1.4 2.2 1033 1026 A 74 LYS HBy A 74 LYS HBx 1.0 1.4 2.4 1034 1027 A 88 ILE HG2% A 88 ILE HD1% 1.0 1.7 3.1 1035 1028 A 87 VAL HGx% A 87 VAL HGy% 1.0 1.6 3.0 1036 1029 A 14 ILE HB A 12 VAL HGx% 1.0 0.0 6.0 1037 1030 A 12 VAL HB A 12 VAL HGy% 1.0 1.7 2.9 1038 1031 A 52 ALA HB% A 48 MET HE% 1.0 1.7 3.1 1039 1032 A 68 ILE HG1x A 68 ILE HG1y 1.0 1.4 2.2 1040 1033 A 43 PRO HA A 42 THR HB 1.0 0.0 6.0 1041 1034 A 83 VAL HGy% A 45 GLU HGy 1.0 0.0 6.0 1042 1035 A 12 VAL HB A 12 VAL HGx% 1.0 1.6 3.0 1043 1036 A 66 PRO HA A 66 PRO HBy 1.0 1.6 2.8 1044 1037 A 17 PRO HBy A 17 PRO HBx 1.0 1.4 2.4 1045 1038 A 69 ARG HBx A 69 ARG HBy 1.0 1.5 2.5 1046 1039 A 54 VAL HB A 54 VAL HGy% 1.0 1.6 2.8 1047 1040 A 26 TYR HA A 23 ALA HB% 1.0 0.0 6.0 1048 1041 A 55 ILE HG1x A 55 ILE HG1y 1.0 1.5 2.3 1049 1042 A 33 LEU HBy A 33 LEU HDx% 1.0 1.7 3.3 1050 1043 A 21 ILE HG2% A 62 LEU HDy% 1.0 1.6 3.0 1051 1044 A 33 LEU HG A 33 LEU HDx% 1.0 1.6 3.0 1052 1045 A 71 VAL HGx% A 71 VAL HB 1.0 1.6 3.0 1053 1046 A 54 VAL HA A 54 VAL HGx% 1.0 1.7 3.1 1054 1047 A 55 ILE HG1x A 55 ILE HD1% 1.0 1.6 2.8 1055 1048 A 16 PHE HE% A 87 VAL HGy% 1.0 1.7 3.1 1056 1049 A 55 ILE HA A 55 ILE HG1y 1.0 1.6 2.8 1057 1050 A 68 ILE H A 68 ILE HG2% 1.0 1.6 2.8 1058 1051 A 28 GLU HA A 28 GLU HBx 1.0 1.7 3.1 1059 1052 A 39 VAL HGx% A 12 VAL HGx% 1.0 1.7 3.1 1060 1053 A 61 ALA HB% A 71 VAL HGx% 1.0 0.0 6.0 1061 1054 A 85 PHE HBx A 85 PHE HBy 1.0 1.5 2.5 1062 1055 A 45 GLU HGx A 45 GLU HGy 1.0 1.5 2.5 1063 1056 A 59 HIS HBx A 59 HIS HBy 1.0 1.4 2.4 1064 1057 A 58 ALA HB% A 58 ALA H 1.0 1.6 3.0 1065 1058 A 88 ILE HB A 88 ILE HD1% 1.0 1.7 3.1 1066 1059 A 30 GLU HBy A 30 GLU HA 1.0 1.7 3.3 1067 1060 A 62 LEU HA A 62 LEU HBx 1.0 1.8 3.4 1068 1061 A 75 PRO HDx A 83 VAL HGy% 1.0 0.0 6.0 1069 1062 A 33 LEU H A 33 LEU HBy 1.0 1.6 2.8 1070 1063 A 43 PRO HGx A 43 PRO HDx 1.0 1.6 2.8 1071 1064 A 68 ILE HG1x A 68 ILE HG2% 1.0 1.8 4.0 1072 1065 A 43 PRO HA A 44 GLU HA 1.0 0.0 6.0 1073 1066 A 68 ILE HG1x A 68 ILE HD1% 1.0 1.7 2.9 1074 1067 A 73 LEU HBx A 73 LEU HBy 1.0 1.5 2.5 1075 1068 A 34 ASN HA A 34 ASN HBy 1.0 1.7 3.1 1076 1069 A 61 ALA HB% A 71 VAL HGy% 1.0 1.7 3.3 1077 1070 A 54 VAL HB A 54 VAL HGx% 1.0 1.6 3.0 1078 1071 A 82 SER HA A 82 SER HBy 1.0 1.7 3.1 1079 1072 A 68 ILE HB A 68 ILE HG2% 1.0 1.6 2.8 1080 1073 A 45 GLU HA A 83 VAL HGy% 1.0 0.0 6.0 1081 1074 A 14 ILE HG2% A 14 ILE HD1% 1.0 1.7 3.1 1082 1075 A 39 VAL HB A 39 VAL HGx% 1.0 1.7 3.1 1083 1076 A 88 ILE HG1x A 88 ILE HB 1.0 1.7 3.1 1084 1077 A 33 LEU HA A 33 LEU HDx% 1.0 1.7 3.3 1085 1078 A 80 ASN HA A 81 SER HBy 1.0 0.0 6.0 1086 1079 A 90 ASP HBx A 90 ASP HA 1.0 1.7 3.3 1087 1080 A 21 ILE HD1% A 21 ILE HA 1.0 1.7 3.1 1088 1081 A 66 PRO HDy A 66 PRO HGy 1.0 1.6 3.0 1089 1082 A 62 LEU HA A 62 LEU HBy 1.0 1.6 3.0 1090 1083 A 55 ILE HB A 55 ILE HG2% 1.0 1.7 3.1 1091 1084 A 24 GLU HA A 24 GLU HBy 1.0 1.7 3.3 1092 1085 A 14 ILE HD1% A 36 MET HE% 1.0 1.7 3.1 1093 1086 A 45 GLU HBx A 45 GLU HBy 1.0 1.5 2.5 1094 1087 A 88 ILE HG2% A 88 ILE HG1y 1.0 1.7 3.3 1095 1088 A 73 LEU HA A 73 LEU HDx% 1.0 1.7 3.3 1096 1089 A 10 VAL HA A 10 VAL HGx% 1.0 1.7 3.3 1097 1090 A 88 ILE HD1% A 13 GLU HGy 1.0 0.0 6.0 1098 1091 A 19 LYS H A 19 LYS HBy 1.0 0.0 6.0 1099 1092 A 16 PHE HA A 17 PRO HDx 1.0 1.6 3.0 1100 1093 A 38 LYS HA A 38 LYS HBy 1.0 1.7 3.3 1101 1094 A 47 GLY H A 47 GLY HAy 1.0 1.6 3.0 1102 1095 A 44 GLU H A 43 PRO HA 1.0 1.7 3.3 1103 1096 A 42 THR HA A 42 THR HG2% 1.0 1.7 3.5 1104 1097 A 12 VAL H A 12 VAL HGy% 1.0 1.8 3.6 1105 1098 A 88 ILE HG2% A 88 ILE HG1x 1.0 1.8 3.4 1106 1098 A 88 ILE HG2% A 88 ILE HG1y 1.0 1.8 3.4 1107 1099 A 54 VAL HB A 36 MET HE% 1.0 1.8 3.4 1108 1100 A 71 VAL HGx% A 61 ALA HA 1.0 0.0 6.0 1109 1101 A 55 ILE HB A 55 ILE HD1% 1.0 1.7 3.3 1110 1102 A 39 VAL HA A 40 ASN HA 1.0 0.0 6.0 1111 1103 A 41 ASP HBy A 40 ASN HA 1.0 0.0 6.0 1112 1104 A 73 LEU HBx A 73 LEU HDy% 1.0 1.7 3.3 1113 1105 A 73 LEU HBy A 73 LEU HDx% 1.0 1.8 3.4 1114 1106 A 21 ILE HG2% A 21 ILE HB 1.0 1.7 3.3 1115 1107 A 61 ALA HB% A 62 LEU H 1.0 1.8 3.4 1116 1108 A 51 ARG HA A 36 MET HE% 1.0 1.7 3.3 1117 1109 A 75 PRO HDy A 74 LYS HA 1.0 1.8 3.4 1118 1110 A 62 LEU HA A 62 LEU HDy% 1.0 1.9 3.7 1119 1111 A 87 VAL HGy% A 58 ALA HB% 1.0 1.7 3.5 1120 1112 A 73 LEU HDx% A 73 LEU HG 1.0 1.7 3.3 1121 1113 A 35 GLN HA A 35 GLN HBy 1.0 1.7 3.3 1122 1114 A 52 ALA HA A 55 ILE HD1% 1.0 1.8 3.6 1123 1115 A 45 GLU HA A 46 GLU H 1.0 1.8 3.8 1124 1116 A 18 LEU HA A 18 LEU HD1% 1.0 1.8 4.0 1125 1117 A 68 ILE HB A 68 ILE H 1.0 1.8 4.0 1126 1118 A 75 PRO HDx A 74 LYS HA 1.0 1.7 3.1 1127 1119 A 89 PHE HBy A 18 LEU HD1% 1.0 1.9 3.9 1128 1120 A 17 PRO HA A 90 ASP HBy 1.0 1.7 3.5 1129 1121 A 39 VAL HA A 12 VAL HGy% 1.0 0.0 6.0 1130 1122 A 21 ILE HD1% A 58 ALA HB% 1.0 1.8 3.6 1131 1123 A 10 VAL HB A 10 VAL HGx% 1.0 1.8 3.6 1132 1124 A 88 ILE H A 88 ILE HD1% 1.0 1.8 3.8 1133 1125 A 48 MET HBx A 48 MET HE% 1.0 1.8 4.0 1134 1126 A 80 ASN HBx A 74 LYS HEy 1.0 0.0 6.0 1135 1127 A 85 PHE HD% A 50 LEU HDx% 1.0 1.8 4.0 1136 1128 A 21 ILE HG1x A 21 ILE HD1% 1.0 1.8 3.4 1137 1128 A 21 ILE HG1y A 21 ILE HD1% 1.0 1.8 3.4 1138 1129 A 43 PRO HGx A 46 GLU HBy 1.0 0.0 6.0 1139 1130 A 31 LEU HA A 34 ASN HBy 1.0 1.9 4.5 1140 1131 A 26 TYR HA A 26 TYR HBy 1.0 1.8 3.6 1141 1132 A 26 TYR HA A 26 TYR HBx 1.0 1.8 3.6 1142 1133 A 83 VAL HB A 83 VAL HGx% 1.0 1.8 3.4 1143 1134 A 31 LEU H A 31 LEU HBx 1.0 1.8 4.0 1144 1135 A 20 ARG HBx A 20 ARG HDy 1.0 1.8 3.6 1145 1136 A 10 VAL HB A 83 VAL HGy% 1.0 1.8 3.6 1146 1137 A 71 VAL HGy% A 87 VAL HB 1.0 1.8 3.6 1147 1138 A 53 TRP HE3 A 54 VAL HGx% 1.0 0.0 6.0 1148 1139 A 78 VAL HB A 78 VAL HGx% 1.0 1.8 3.6 1149 1140 A 31 LEU HA A 31 LEU HBx 1.0 1.8 3.8 1150 1141 A 62 LEU H A 62 LEU HDy% 1.0 1.9 4.5 1151 1142 A 87 VAL HA A 87 VAL HGy% 1.0 1.8 3.6 1152 1143 A 9 ALA HB% A 9 ALA HA 1.0 1.8 3.6 1153 1144 A 16 PHE HA A 89 PHE HE% 1.0 0.0 6.0 1154 1145 A 54 VAL HA A 73 LEU HDy% 1.0 1.8 3.6 1155 1146 A 33 LEU HA A 55 ILE HD1% 1.0 0.0 6.0 1156 1147 A 68 ILE HA A 68 ILE HB 1.0 1.7 3.5 1157 1148 A 73 LEU HG A 73 LEU HDy% 1.0 1.8 3.6 1158 1149 A 80 ASN HBx A 80 ASN HA 1.0 1.8 3.6 1159 1150 A 16 PHE HA A 17 PRO HDy 1.0 1.9 3.9 1160 1151 A 52 ALA HB% A 49 PRO HDy 1.0 0.0 6.0 1161 1152 A 57 CYS HBy A 73 LEU HDy% 1.0 1.8 3.6 1162 1153 A 90 ASP H A 90 ASP HBy 1.0 1.7 3.5 1163 1154 A 80 ASN HBy A 80 ASN HA 1.0 1.9 4.1 1164 1155 A 48 MET HA A 49 PRO HDy 1.0 1.9 4.1 1165 1156 A 88 ILE HA A 88 ILE HG1x 1.0 1.8 3.6 1166 1157 A 81 SER HA A 81 SER HBy 1.0 1.8 3.8 1167 1158 A 83 VAL HGx% A 83 VAL HA 1.0 1.9 4.1 1168 1159 A 88 ILE H A 88 ILE HG2% 1.0 1.9 4.7 1169 1160 A 85 PHE HBx A 85 PHE H 1.0 2.0 4.8 1170 1161 A 14 ILE HA A 14 ILE HD1% 1.0 1.9 5.1 1171 1162 A 55 ILE HG1x A 55 ILE HG2% 1.0 2.0 4.8 1172 1163 A 31 LEU HA A 30 GLU HGy 1.0 0.0 6.0 1173 1164 A 21 ILE HG1y A 58 ALA HB% 1.0 1.9 3.9 1174 1165 A 55 ILE HA A 55 ILE HG2% 1.0 1.8 3.8 1175 1166 A 74 LYS HA A 74 LYS HGx 1.0 1.8 3.8 1176 1167 A 63 GLU HA A 63 GLU HGy 1.0 1.9 4.1 1177 1168 A 32 LEU HBx A 33 LEU HBy 1.0 1.9 4.3 1178 1169 A 59 HIS HA A 59 HIS HBy 1.0 1.8 3.6 1179 1170 A 50 LEU HBy A 50 LEU HDx% 1.0 1.9 4.3 1180 1171 A 88 ILE HG2% A 90 ASP HA 1.0 1.9 3.9 1181 1172 A 62 LEU HA A 68 ILE HD1% 1.0 1.9 3.7 1182 1173 A 85 PHE HE% A 14 ILE HD1% 1.0 1.9 4.1 1183 1174 A 22 ALA H A 22 ALA HA 1.0 1.9 3.9 1184 1175 A 32 LEU HBy A 31 LEU HBx 1.0 1.9 4.1 1185 1176 A 39 VAL HA A 39 VAL HGy% 1.0 1.9 4.1 1186 1177 A 85 PHE HA A 12 VAL HB 1.0 1.8 3.8 1187 1178 A 85 PHE HBy A 54 VAL HGy% 1.0 1.9 4.1 1188 1179 A 65 ASN HBx A 65 ASN HA 1.0 1.9 3.9 1189 1180 A 71 VAL HA A 71 VAL HGx% 1.0 1.9 4.1 1190 1181 A 58 ALA HA A 71 VAL HGy% 1.0 1.8 4.0 1191 1182 A 43 PRO HGx A 40 ASN HA 1.0 1.8 3.6 1192 1183 A 68 ILE HG1y A 62 LEU HBx 1.0 1.9 4.9 1193 1184 A 85 PHE HBy A 85 PHE H 1.0 1.8 3.6 1194 1185 A 55 ILE H A 54 VAL HB 1.0 1.8 3.6 1195 1186 A 32 LEU HBy A 32 LEU HDx% 1.0 1.8 3.8 1196 1187 A 68 ILE HB A 68 ILE HG1y 1.0 1.9 4.1 1197 1188 A 36 MET HE% A 36 MET HGx 1.0 1.8 4.0 1198 1189 A 89 PHE HBy A 90 ASP HA 1.0 0.0 6.0 1199 1190 A 39 VAL HGy% A 39 VAL H 1.0 1.8 4.2 1200 1191 A 89 PHE HE% A 21 ILE HD1% 1.0 2.0 5.0 1201 1192 A 75 PRO HA A 77 ALA HB% 1.0 0.0 6.0 1202 1193 A 62 LEU HDx% A 22 ALA HA 1.0 1.9 4.3 1203 1194 A 66 PRO HDy A 66 PRO HBy 1.0 2.0 5.0 1204 1195 A 89 PHE HA A 89 PHE HE% 1.0 2.0 5.2 1205 1196 A 55 ILE HD1% A 36 MET HGx 1.0 1.8 4.0 1206 1197 A 85 PHE HBy A 14 ILE HD1% 1.0 2.0 5.2 1207 1198 A 45 GLU HA A 44 GLU HGy 1.0 2.0 4.6 1208 1199 A 88 ILE H A 88 ILE HG1x 1.0 1.8 4.2 1209 1200 A 68 ILE HG1y A 62 LEU HBy 1.0 0.0 6.0 1210 1201 A 85 PHE HBx A 54 VAL HGx% 1.0 1.9 4.3 1211 1201 A 85 PHE HBx A 54 VAL HGy% 1.0 1.9 4.3 1212 1202 A 16 PHE HA A 35 GLN HE2y 1.0 1.9 4.5 1213 1203 A 14 ILE HB A 87 VAL HGy% 1.0 1.9 4.1 1214 1204 A 31 LEU HA A 31 LEU HBy 1.0 1.8 4.0 1215 1205 A 36 MET HA A 14 ILE HD1% 1.0 1.9 4.3 1216 1206 A 35 GLN H A 34 ASN HBy 1.0 2.0 4.8 1217 1207 A 36 MET HE% A 52 ALA H 1.0 1.9 5.1 1218 1208 A 48 MET HA A 48 MET HBx 1.0 1.9 4.7 1219 1209 A 43 PRO HBy A 43 PRO HDy 1.0 2.0 5.0 1220 1210 A 16 PHE HE% A 14 ILE HD1% 1.0 0.0 6.0 1221 1211 A 73 LEU HBx A 73 LEU HG 1.0 1.8 4.0 1222 1212 A 49 PRO HDx A 48 MET HBx 1.0 1.9 3.7 1223 1213 A 85 PHE HBy A 83 VAL HGy% 1.0 0.0 6.0 1224 1214 A 16 PHE HE% A 32 LEU HDx% 1.0 1.9 4.3 1225 1215 A 16 PHE HE% A 55 ILE HG2% 1.0 1.9 4.5 1226 1216 A 89 PHE HBy A 69 ARG HA 1.0 1.9 3.9 1227 1217 A 85 PHE HD% A 83 VAL HGy% 1.0 0.0 6.0 1228 1218 A 43 PRO HGx A 50 LEU HBy 1.0 1.9 4.5 1229 1219 A 16 PHE HA A 35 GLN HBy 1.0 0.0 6.0 1230 1220 A 72 TYR HA A 86 HIS HA 1.0 1.9 4.1 1231 1221 A 28 GLU HA A 28 GLU H 1.0 1.9 4.3 1232 1222 A 15 HIS HBx A 90 ASP HA 1.0 0.0 6.0 1233 1223 A 83 VAL HGy% A 84 GLN HA 1.0 1.9 4.5 1234 1224 A 59 HIS HA A 62 LEU HBx 1.0 1.9 4.1 1235 1225 A 26 TYR HBx A 55 ILE HG2% 1.0 1.9 5.1 1236 1226 A 32 LEU HBx A 32 LEU HG 1.0 1.8 4.0 1237 1227 A 18 LEU HA A 89 PHE HBy 1.0 2.0 6.0 1238 1228 A 14 ILE HD1% A 36 MET HGy 1.0 2.0 4.6 1239 1229 A 55 ILE H A 55 ILE HD1% 1.0 2.0 5.6 1240 1230 A 32 LEU HBx A 31 LEU HBx 1.0 2.0 5.4 1241 1231 A 32 LEU HBx A 33 LEU HBx 1.0 2.0 5.8 1242 1232 A 35 GLN HGy A 31 LEU HDx% 1.0 2.0 4.4 1243 1233 A 31 LEU HDx% A 30 GLU HBy 1.0 0.0 6.0 1244 1234 A 43 PRO HGx A 40 ASN HD2x 1.0 1.8 4.2 1245 1235 A 60 GLU HA A 60 GLU HGy 1.0 1.9 5.1 1246 1236 A 73 LEU HBy A 73 LEU HDy% 1.0 1.9 4.7 1247 1237 A 55 ILE HB A 36 MET HE% 1.0 0.0 6.0 1248 1238 A 85 PHE H A 84 GLN HGy 1.0 2.0 5.4 1249 1239 A 67 LYS H A 67 LYS HBx 1.0 2.0 5.2 1250 1240 A 70 GLU HA A 88 ILE HA 1.0 1.9 4.1 1251 1241 A 18 LEU H A 18 LEU HG 1.0 2.0 5.6 1252 1242 A 85 PHE HZ A 36 MET HE% 1.0 0.0 6.0 1253 1243 A 16 PHE HE% A 21 ILE HD1% 1.0 1.9 4.5 1254 1244 A 67 LYS H A 66 PRO HDx 1.0 1.9 4.5 1255 1245 A 63 GLU H A 62 LEU HDx% 1.0 2.0 5.2 1256 1246 A 80 ASN HBx A 83 VAL HB 1.0 2.0 4.4 1257 1247 A 64 LYS H A 63 GLU HA 1.0 1.9 4.5 1258 1248 A 21 ILE HG2% A 22 ALA HA 1.0 1.9 4.7 1259 1249 A 74 LYS HA A 74 LYS HBx 1.0 2.0 4.8 1260 1250 A 36 MET HA A 36 MET HE% 1.0 1.9 4.5 1261 1251 A 45 GLU HA A 46 GLU HGy 1.0 2.0 4.8 1262 1252 A 89 PHE HE% A 16 PHE HBy 1.0 1.9 4.3 1263 1253 A 68 ILE HG1x A 62 LEU HDy% 1.0 1.8 3.8 1264 1254 A 85 PHE HBy A 73 LEU HBx 1.0 1.8 4.2 1265 1255 A 66 PRO HA A 62 LEU HA 1.0 1.9 4.3 1266 1256 A 65 ASN H A 62 LEU HA 1.0 1.9 4.5 1267 1257 A 59 HIS HBx A 60 GLU H 1.0 1.8 4.0 1268 1258 A 33 LEU H A 33 LEU HG 1.0 2.0 5.8 1269 1259 A 55 ILE HG2% A 56 LYS HA 1.0 2.0 4.6 1270 1260 A 16 PHE HBx A 21 ILE HB 1.0 1.9 3.9 1271 1261 A 72 TYR H A 71 VAL HB 1.0 1.9 4.5 1272 1262 A 84 GLN H A 83 VAL HGy% 1.0 2.0 4.6 1273 1263 A 66 PRO HDx A 66 PRO HBy 1.0 1.9 4.3 1274 1264 A 14 ILE HG2% A 36 MET HE% 1.0 2.0 5.0 1275 1265 A 58 ALA HA A 58 ALA H 1.0 1.9 4.5 1276 1266 A 16 PHE HBy A 21 ILE HG2% 1.0 2.0 5.0 1277 1267 A 59 HIS HA A 21 ILE HD1% 1.0 2.0 5.0 1278 1268 A 32 LEU HBx A 32 LEU HA 1.0 1.9 4.9 1279 1269 A 55 ILE H A 54 VAL HGy% 1.0 2.0 5.8 1280 1270 A 59 HIS HA A 22 ALA HA 1.0 2.0 5.0 1281 1271 A 16 PHE HZ A 55 ILE HG2% 1.0 2.0 5.6 1282 1272 A 28 GLU H A 27 ALA HA 1.0 1.9 4.9 1283 1273 A 49 PRO HDx A 48 MET HGy 1.0 2.0 5.2 1284 1274 A 85 PHE HBx A 73 LEU HBx 1.0 2.0 5.4 1285 1275 A 54 VAL H A 36 MET HE% 1.0 2.0 6.0 1286 1276 A 45 GLU HA A 45 GLU HBx 1.0 2.0 4.8 1287 1277 A 14 ILE HA A 35 GLN HGy 1.0 2.0 5.8 1288 1278 A 55 ILE HA A 55 ILE HG1x 1.0 1.9 4.7 1289 1279 A 26 TYR H A 23 ALA HB% 1.0 2.0 4.8 1290 1280 A 62 LEU HA A 62 LEU H 1.0 2.0 4.6 1291 1281 A 68 ILE H A 62 LEU HDy% 1.0 2.0 5.4 1292 1282 A 85 PHE HZ A 12 VAL HGx% 1.0 2.0 5.2 1293 1283 A 85 PHE HD% A 39 VAL HGy% 1.0 0.0 6.0 1294 1284 A 45 GLU HBy A 45 GLU HGy 1.0 1.9 4.5 1295 1285 A 21 ILE HG1y A 21 ILE HB 1.0 1.9 4.3 1296 1286 A 68 ILE HB A 68 ILE HG1x 1.0 1.9 4.1 1297 1287 A 62 LEU HBy A 68 ILE HD1% 1.0 2.0 4.6 1298 1288 A 17 PRO HDx A 16 PHE HBx 1.0 2.0 5.2 1299 1289 A 49 PRO HDx A 50 LEU HG 1.0 2.0 6.0 1300 1290 A 71 VAL H A 70 GLU HBy 1.0 1.9 4.5 1301 1291 A 16 PHE HE% A 16 PHE HBy 1.0 2.0 5.8 1302 1292 A 84 GLN HBx A 84 GLN HA 1.0 1.9 4.3 1303 1293 A 70 GLU HA A 88 ILE HD1% 1.0 0.0 6.0 1304 1294 A 53 TRP H A 48 MET HE% 1.0 2.0 6.0 1305 1295 A 50 LEU HDx% A 50 LEU HA 1.0 1.9 5.1 1306 1296 A 14 ILE H A 14 ILE HG2% 1.0 2.0 5.6 1307 1297 A 51 ARG HBx A 14 ILE HD1% 1.0 2.0 5.4 1308 1298 A 33 LEU HA A 36 MET HBy 1.0 2.0 5.4 1309 1299 A 88 ILE HG1y A 13 GLU HBy 1.0 0.0 6.0 1310 1299 A 88 ILE HG1x A 13 GLU HBy 1.0 0.0 6.0 1311 1300 A 56 LYS H A 56 LYS HA 1.0 1.9 4.7 1312 1301 A 76 ARG H A 76 ARG HBx 1.0 2.0 5.6 1313 1302 A 85 PHE HA A 85 PHE HBx 1.0 1.9 4.5 1314 1303 A 53 TRP HBy A 50 LEU HA 1.0 2.0 6.0 1315 1304 A 59 HIS HD2 A 63 GLU HGy 1.0 2.0 4.6 1316 1305 A 55 ILE HG2% A 27 ALA HA 1.0 0.0 6.0 1317 1306 A 55 ILE HA A 21 ILE HD1% 1.0 1.9 4.7 1318 1307 A 76 ARG HDy A 76 ARG HBx 1.0 2.0 5.0 1319 1308 A 55 ILE H A 36 MET HE% 1.0 2.0 5.8 1320 1309 A 53 TRP HH2 A 54 VAL HGy% 1.0 1.9 4.9 1321 1310 A 55 ILE HD1% A 32 LEU HG 1.0 2.0 4.8 1322 1311 A 22 ALA H A 23 ALA HB% 1.0 0.0 6.0 1323 1312 A 68 ILE HG2% A 65 ASN HD2y 1.0 2.0 5.0 1324 1313 A 79 LYS H A 78 VAL HB 1.0 1.9 5.1 1325 1314 A 41 ASP H A 40 ASN HA 1.0 1.9 4.9 1326 1315 A 17 PRO HDx A 35 GLN HE2y 1.0 1.9 4.3 1327 1316 A 55 ILE HB A 32 LEU HG 1.0 2.0 6.0 1328 1317 A 81 SER H A 81 SER HBy 1.0 2.0 5.6 1329 1318 A 32 LEU HBy A 32 LEU HG 1.0 2.0 5.0 1330 1319 A 36 MET HA A 14 ILE HG2% 1.0 1.9 4.9 1331 1320 A 35 GLN HBy A 32 LEU HA 1.0 2.0 6.0 1332 1321 A 50 LEU HA A 50 LEU HBx 1.0 2.0 5.0 1333 1322 A 36 MET H A 36 MET HGy 1.0 2.0 5.0 1334 1323 A 16 PHE HE% A 55 ILE HD1% 1.0 1.8 4.0 1335 1324 A 15 HIS HD2 A 70 GLU HBx 1.0 2.0 6.0 1336 1325 A 55 ILE HA A 58 ALA H 1.0 2.0 5.0 1337 1326 A 83 VAL HGx% A 84 GLN HA 1.0 1.9 4.7 1338 1327 A 36 MET HA A 39 VAL HGy% 1.0 1.8 4.0 1339 1328 A 55 ILE HG1x A 21 ILE HD1% 1.0 2.0 6.0 1340 1329 A 89 PHE HA A 89 PHE HZ 1.0 2.0 5.4 1341 1330 A 56 LYS H A 55 ILE HD1% 1.0 0.0 6.0 1342 1331 A 63 GLU H A 62 LEU HBx 1.0 1.9 4.3 1343 1332 A 76 ARG HA A 76 ARG HDy 1.0 2.0 6.0 1344 1333 A 21 ILE HG1x A 62 LEU HDy% 1.0 2.0 5.2 1345 1334 A 17 PRO HDx A 17 PRO HBy 1.0 2.0 5.8 1346 1335 A 26 TYR HA A 27 ALA H 1.0 2.0 5.0 1347 1336 A 29 ASP H A 27 ALA HB% 1.0 2.0 6.0 1348 1337 A 49 PRO HDy A 48 MET HGy 1.0 2.0 6.0 1349 1338 A 16 PHE HA A 32 LEU HDx% 1.0 2.0 5.0 1350 1339 A 59 HIS HA A 62 LEU H 1.0 2.0 5.0 1351 1340 A 44 GLU H A 42 THR HB 1.0 2.0 5.2 1352 1341 A 31 LEU H A 30 GLU HBy 1.0 2.0 4.8 1353 1342 A 14 ILE HB A 73 LEU HDy% 1.0 2.0 5.6 1354 1343 A 32 LEU H A 31 LEU HBx 1.0 1.9 4.5 1355 1344 A 75 PRO HGx A 84 GLN HA 1.0 2.0 6.0 1356 1345 A 26 TYR HBy A 32 LEU HG 1.0 2.0 4.6 1357 1346 A 18 LEU HD1% A 90 ASP HA 1.0 2.0 5.6 1358 1347 A 32 LEU HBx A 32 LEU HDx% 1.0 2.0 6.0 1359 1348 A 89 PHE HBy A 18 LEU HBy 1.0 2.0 6.0 1360 1349 A 43 PRO HA A 43 PRO HGy 1.0 2.0 6.0 1361 1350 A 14 ILE HG2% A 87 VAL HB 1.0 2.0 6.0 1362 1351 A 70 GLU H A 70 GLU HBx 1.0 2.0 4.8 1363 1352 A 48 MET HA A 48 MET HGy 1.0 2.0 5.6 1364 1353 A 63 GLU H A 63 GLU HGy 1.0 2.0 5.2 1365 1354 A 50 LEU HDx% A 43 PRO HDy 1.0 0.0 6.0 1366 1355 A 74 LYS HBy A 84 GLN HA 1.0 2.0 5.4 1367 1356 A 74 LYS HA A 74 LYS HEy 1.0 2.0 5.8 1368 1357 A 32 LEU HDx% A 31 LEU HDx% 1.0 2.0 5.4 1369 1358 A 26 TYR HBy A 20 ARG HGy 1.0 0.0 6.0 1370 1359 A 45 GLU HBx A 45 GLU HGx 1.0 2.0 4.8 1371 1360 A 83 VAL HGx% A 82 SER HBy 1.0 2.0 6.0 1372 1361 A 85 PHE HA A 12 VAL HGy% 1.0 2.0 5.8 1373 1362 A 66 PRO HA A 66 PRO HDx 1.0 2.0 5.4 1374 1363 A 26 TYR HBx A 23 ALA H 1.0 1.9 4.9 1375 1364 A 66 PRO HDx A 65 ASN HBy 1.0 2.0 6.0 1376 1365 A 83 VAL HGx% A 44 GLU HGy 1.0 2.0 5.4 1377 1366 A 59 HIS HA A 62 LEU HDy% 1.0 2.0 5.8 1378 1367 A 36 MET H A 36 MET HGx 1.0 2.0 6.0 1379 1368 A 14 ILE H A 14 ILE HD1% 1.0 2.0 6.0 1380 1369 A 17 PRO HDx A 17 PRO HGy 1.0 2.0 5.4 1381 1370 A 41 ASP H A 39 VAL HB 1.0 2.0 6.0 1382 1371 A 55 ILE HD1% A 36 MET HGy 1.0 1.9 5.5 1383 1372 A 21 ILE HG1y A 21 ILE HA 1.0 2.0 6.0 1384 1373 A 89 PHE HZ A 71 VAL HGy% 1.0 2.0 5.4 1385 1374 A 15 HIS H A 14 ILE HD1% 1.0 1.9 6.0 1386 1375 A 16 PHE HBy A 21 ILE HB 1.0 2.0 6.0 1387 1376 A 45 GLU HA A 45 GLU HBy 1.0 1.9 4.9 1388 1377 A 26 TYR HBx A 23 ALA HB% 1.0 1.9 4.9 1389 1378 A 68 ILE HA A 68 ILE HD1% 1.0 1.9 6.0 1390 1379 A 54 VAL HGx% A 58 ALA H 1.0 2.0 5.8 1391 1380 A 12 VAL H A 12 VAL HGx% 1.0 2.0 5.8 1392 1381 A 62 LEU H A 71 VAL HGx% 1.0 2.0 5.8 1393 1382 A 70 GLU HBy A 71 VAL HGy% 1.0 2.0 6.0 1394 1383 A 28 GLU HA A 27 ALA HB% 1.0 2.0 5.6 1395 1384 A 20 ARG H A 21 ILE HB 1.0 2.0 6.0 1396 1385 A 36 MET HA A 40 ASN HBy 1.0 2.0 5.0 1397 1386 A 14 ILE HG2% A 36 MET HGy 1.0 2.0 5.0 1398 1387 A 13 GLU HA A 88 ILE HD1% 1.0 0.0 6.0 1399 1388 A 81 SER H A 74 LYS HDy 1.0 2.0 5.6 1400 1389 A 62 LEU HA A 62 LEU HG 1.0 2.0 5.2 1401 1390 A 68 ILE HD1% A 21 ILE HG2% 1.0 2.0 6.0 1402 1391 A 25 GLY HAx A 27 ALA H 1.0 2.0 6.0 1403 1392 A 49 PRO HDx A 48 MET HE% 1.0 2.0 5.4 1404 1393 A 57 CYS H A 56 LYS HA 1.0 2.0 5.4 1405 1394 A 70 GLU HA A 71 VAL HGx% 1.0 2.0 5.6 1406 1395 A 40 ASN HBy A 40 ASN HA 1.0 2.0 4.8 1407 1396 A 51 ARG HA A 54 VAL HGy% 1.0 2.0 6.0 1408 1397 A 36 MET HE% A 36 MET HGy 1.0 2.0 5.4 1409 1398 A 73 LEU H A 73 LEU HDy% 1.0 2.0 5.8 1410 1399 A 26 TYR HD% A 27 ALA HA 1.0 2.0 5.2 1411 1400 A 44 GLU H A 43 PRO HBy 1.0 2.0 6.0 1412 1401 A 31 LEU H A 31 LEU HDx% 1.0 2.0 6.0 1413 1402 A 44 GLU H A 42 THR HG2% 1.0 0.0 6.0 1414 1403 A 21 ILE HD1% A 56 LYS HA 1.0 2.0 6.0 1415 1404 A 64 LYS H A 61 ALA HA 1.0 2.0 5.4 1416 1405 A 73 LEU HBy A 14 ILE HD1% 1.0 2.0 5.8 1417 1406 A 40 ASN HBy A 38 LYS HBx 1.0 2.0 5.6 1418 1407 A 53 TRP HBy A 50 LEU HDx% 1.0 2.0 6.0 1419 1408 A 89 PHE HA A 18 LEU HBy 1.0 2.0 5.4 1420 1409 A 35 GLN H A 33 LEU HDx% 1.0 0.0 6.0 1421 1410 A 53 TRP HA A 53 TRP HBy 1.0 2.0 5.4 1422 1411 A 52 ALA HB% A 48 MET HGy 1.0 1.9 4.5 1423 1412 A 85 PHE H A 83 VAL HGy% 1.0 2.0 6.0 1424 1413 A 23 ALA H A 22 ALA HA 1.0 2.0 5.4 1425 1414 A 49 PRO HDy A 48 MET HE% 1.0 2.0 6.0 1426 1415 A 17 PRO HDx A 31 LEU HD21 1.0 2.0 5.6 1427 1416 A 17 PRO HDx A 32 LEU HD21 1.0 2.0 6.0 1428 1417 A 52 ALA HA A 56 LYS H 1.0 2.0 5.6 1429 1418 A 92 GLU HGy A 19 LYS HEy 1.0 2.0 5.6 1430 1419 A 14 ILE HG2% A 32 LEU HG 1.0 2.0 6.0 1431 1420 A 41 ASP HBx A 42 THR HG2% 1.0 2.0 5.2 1432 1421 A 14 ILE HB A 87 VAL HGx% 1.0 2.0 6.0 1433 1422 A 44 GLU H A 43 PRO HGy 1.0 2.0 5.6 1434 1423 A 59 HIS HBx A 21 ILE HD1% 1.0 2.0 6.0 1435 1424 A 88 ILE HA A 87 VAL HGy% 1.0 2.0 6.0 1436 1425 A 48 MET HA A 49 PRO HGy 1.0 1.9 6.0 1437 1426 A 54 VAL HGy% A 87 VAL HGy% 1.0 2.0 6.0 1438 1427 A 54 VAL HA A 55 ILE H 1.0 2.0 5.4 1439 1428 A 42 THR H A 40 ASN HBy 1.0 1.9 6.0 1440 1429 A 51 ARG H A 50 LEU HBx 1.0 1.9 4.7 1441 1430 A 71 VAL HA A 72 TYR HBx 1.0 1.9 6.0 1442 1431 A 73 LEU HA A 73 LEU HBx 1.0 1.9 5.1 1443 1432 A 67 LYS H A 67 LYS HDy 1.0 2.0 6.0 1444 1433 A 18 LEU HBy A 89 PHE HBx 1.0 1.9 4.5 1445 1434 A 10 VAL HA A 11 ASP HBy 1.0 2.0 6.0 1446 1435 A 53 TRP HH2 A 73 LEU HDy% 1.0 2.0 5.8 1447 1436 A 36 MET H A 35 GLN HA 1.0 2.0 5.6 1448 1437 A 85 PHE HBx A 54 VAL HGx% 1.0 2.0 5.4 1449 1438 A 59 HIS HBy A 21 ILE HD1% 1.0 1.9 4.9 1450 1439 A 88 ILE HA A 88 ILE HD1% 1.0 2.0 6.0 1451 1440 A 26 TYR HBy A 23 ALA H 1.0 2.0 6.0 1452 1441 A 16 PHE HA A 16 PHE H 1.0 2.0 5.2 1453 1442 A 54 VAL HA A 58 ALA H 1.0 2.0 5.8 1454 1443 A 44 GLU HA A 43 PRO HDy 1.0 2.0 6.0 1455 1444 A 59 HIS H A 56 LYS HA 1.0 2.0 5.6 1456 1445 A 63 GLU HA A 66 PRO HBy 1.0 2.0 5.0 1457 1446 A 72 TYR H A 72 TYR HBy 1.0 1.9 5.1 1458 1447 A 31 LEU HA A 31 LEU HDx% 1.0 2.0 5.6 1459 1448 A 48 MET HA A 48 MET HE% 1.0 2.0 5.8 1460 1449 A 83 VAL HGx% A 74 LYS HEy 1.0 2.0 5.6 1461 1450 A 69 ARG HBx A 88 ILE HG2% 1.0 2.0 5.8 1462 1451 A 71 VAL HA A 70 GLU HBy 1.0 2.0 5.8 1463 1452 A 75 PRO HDy A 73 LEU HDx% 1.0 0.0 6.0 1464 1453 A 36 MET HBy A 39 VAL HGy% 1.0 2.0 6.0 1465 1454 A 57 CYS H A 54 VAL HGy% 1.0 2.0 6.0 1466 1455 A 35 GLN HE2y A 31 LEU HDx% 1.0 2.0 5.4 1467 1456 A 85 PHE HA A 12 VAL HGx% 1.0 2.0 5.8 1468 1457 A 73 LEU HBx A 87 VAL HGy% 1.0 0.0 6.0 1469 1458 A 75 PRO HGy A 74 LYS HA 1.0 1.9 6.0 1470 1459 A 47 GLY HAy A 43 PRO HBx 1.0 2.0 6.0 1471 1460 A 92 GLU HA A 19 LYS HEy 1.0 2.0 6.0 1472 1461 A 21 ILE H A 21 ILE HD1% 1.0 2.0 6.0 1473 1462 A 62 LEU HA A 66 PRO HDy 1.0 2.0 6.0 1474 1463 A 39 VAL HA A 40 ASN HBy 1.0 2.0 6.0 1475 1464 A 25 GLY HAx A 23 ALA HB% 1.0 2.0 6.0 1476 1465 A 26 TYR HA A 29 ASP HBx 1.0 2.0 6.0 1477 1466 A 67 LYS H A 66 PRO HDy 1.0 2.0 5.2 1478 1467 A 35 GLN HA A 31 LEU HDx% 1.0 2.0 5.8 1479 1468 A 89 PHE HA A 18 LEU HA 1.0 2.0 6.0 1480 1469 A 72 TYR HBy A 84 GLN HBx 1.0 2.0 6.0 1481 1470 A 89 PHE HBx A 70 GLU HBx 1.0 2.0 6.0 1482 1471 A 43 PRO HBy A 43 PRO HDx 1.0 2.0 6.0 1483 1472 A 17 PRO HDy A 20 ARG HBx 1.0 2.0 6.0 1484 1473 A 83 VAL HGy% A 74 LYS HA 1.0 2.0 6.0 1485 1474 A 90 ASP HBy A 92 GLU HBy 1.0 2.0 5.8 1486 1475 A 46 GLU HBx A 45 GLU HBy 1.0 1.9 6.0 1487 1476 A 54 VAL HA A 54 VAL HB 1.0 2.0 5.6 1488 1477 A 55 ILE HA A 54 VAL HGx% 1.0 2.0 5.8 1489 1478 A 66 PRO HDx A 67 LYS HEy 1.0 2.0 6.0 1490 1479 A 51 ARG HA A 54 VAL H 1.0 2.0 6.0 1491 1480 A 16 PHE HZ A 55 ILE HB 1.0 1.9 6.0 1492 1481 A 72 TYR HA A 71 VAL HGy% 1.0 2.0 6.0 1493 1482 A 40 ASN HBy A 51 ARG HBx 1.0 1.9 5.1 1494 1483 A 23 ALA HB% A 21 ILE HA 1.0 2.0 6.0 1495 1484 A 26 TYR HBy A 55 ILE HG2% 1.0 1.9 4.7 1496 1485 A 49 PRO HGy A 52 ALA H 1.0 1.9 6.0 1497 1486 A 59 HIS HBy A 21 ILE HG1x 1.0 2.0 6.0 1498 1487 A 84 GLN HBx A 12 VAL H 1.0 2.0 6.0 1499 1488 A 59 HIS HA A 58 ALA HB% 1.0 2.0 6.0 1500 1489 A 54 VAL HA A 55 ILE HG1x 1.0 2.0 6.0 1501 1490 A 31 LEU HDx% A 20 ARG HDy 1.0 2.0 6.0 1502 1491 A 75 PRO HDx A 74 LYS HEy 1.0 1.9 6.0 1503 1492 A 55 ILE HA A 55 ILE HD1% 1.0 1.9 6.0 1504 1493 A 35 GLN HGy A 32 LEU HA 1.0 2.0 6.0 1505 1494 A 40 ASN HBy A 36 MET HBy 1.0 2.0 5.2 1506 1495 A 49 PRO HDy A 48 MET HBx 1.0 1.9 6.0 1507 1496 A 26 TYR HBy A 27 ALA H 1.0 2.0 6.0 1508 1497 A 50 LEU HDx% A 46 GLU H 1.0 2.0 6.0 1509 1498 A 32 LEU H A 30 GLU HA 1.0 2.0 6.0 1510 1499 A 72 TYR HA A 87 VAL HGx% 1.0 1.9 6.0 1511 1500 A 16 PHE HD% A 55 ILE HA 1.0 2.0 6.0 1512 1501 A 70 GLU HBy A 88 ILE HG1y 1.0 2.0 5.6 1513 1502 A 40 ASN HBy A 50 LEU HDx% 1.0 2.0 6.0 1514 1503 A 40 ASN HBy A 39 VAL HGy% 1.0 2.0 4.8 1515 1504 A 76 ARG H A 77 ALA HB% 1.0 1.9 6.0 1516 1505 A 19 LYS H A 19 LYS HDy 1.0 2.0 6.0 1517 1506 A 19 LYS HA A 23 ALA HB% 1.0 0.0 6.0 1518 1507 A 66 PRO HDy A 67 LYS HEy 1.0 1.9 5.5 1519 1508 A 32 LEU HBx A 29 ASP HBx 1.0 2.0 5.4 1520 1509 A 16 PHE HBy A 87 VAL HGy% 1.0 2.0 6.0 1521 1510 A 17 PRO HDy A 20 ARG HBy 1.0 2.0 5.4 1522 1511 A 41 ASP HBy A 42 THR HG2% 1.0 2.0 6.0 1523 1512 A 40 ASN HBy A 39 VAL HGx% 1.0 0.0 6.0 1524 1513 A 64 LYS H A 63 GLU HGy 1.0 2.0 6.0 1525 1514 A 67 LYS H A 66 PRO HGy 1.0 2.0 5.8 1526 1515 A 84 GLN HGy A 74 LYS HGx 1.0 2.0 5.6 1527 1516 A 36 MET HA A 36 MET HGx 1.0 2.0 6.0 1528 1517 A 32 LEU HBy A 29 ASP HBx 1.0 2.0 5.4 1529 1518 A 65 ASN HA A 66 PRO HGx 1.0 1.8 6.0 1530 1519 A 17 PRO HDy A 31 LEU HD21 1.0 1.9 6.0 1531 1520 A 21 ILE HG1y A 87 VAL HGy% 1.0 2.0 6.0 1532 1521 A 10 VAL HGx% A 11 ASP HBy 1.0 1.9 6.0 1533 1522 A 45 GLU HGx A 46 GLU HGy 1.0 2.0 6.0 1534 1523 A 21 ILE HG1x A 21 ILE HA 1.0 2.0 6.0 1535 1524 A 50 LEU HDx% A 43 PRO HDx 1.0 2.0 6.0 1536 1525 A 75 PRO HDy A 83 VAL HGy% 1.0 2.0 6.0 1537 1526 A 26 TYR HBy A 26 TYR HE% 1.0 1.9 6.0 1538 1527 A 17 PRO HA A 17 PRO HGx 1.0 2.0 6.0 1539 1528 A 62 LEU HDx% A 66 PRO HBy 1.0 2.0 6.0 1540 1529 A 48 MET HA A 49 PRO HGx 1.0 1.9 6.0 1541 1530 A 80 ASN HBy A 77 ALA HB% 1.0 2.0 6.0 1542 1531 A 89 PHE HA A 17 PRO HA 1.0 2.0 6.0 1543 1532 A 59 HIS HA A 55 ILE HA 1.0 2.0 6.0 1544 1533 A 48 MET HE% A 52 ALA H 1.0 2.0 6.0 1545 1534 A 31 LEU H A 30 GLU HA 1.0 2.0 6.0 1546 1535 A 91 GLU H A 92 GLU HA 1.0 0.0 6.0 1547 1536 A 39 VAL HGy% A 14 ILE HG2% 1.0 2.0 5.0 1548 1537 A 68 ILE HD1% A 62 LEU HBx 1.0 1.8 6.0 1549 1538 A 15 HIS HA A 88 ILE HG2% 1.0 2.0 6.0 1550 1539 A 32 LEU HBx A 31 LEU H 1.0 1.9 6.0 1551 1540 A 51 ARG HBx A 40 ASN HA 1.0 1.9 6.0 1552 1541 A 21 ILE HB A 58 ALA HB% 1.0 1.9 6.0 1553 1542 A 28 GLU HBx A 27 ALA HB% 1.0 2.0 5.0 1554 1543 A 26 TYR HA A 26 TYR HD% 1.0 1.9 6.0 1555 1544 A 44 GLU HA A 43 PRO HGy 1.0 2.0 6.0 1556 1545 A 12 VAL H A 11 ASP HBy 1.0 2.0 6.0 1557 1546 A 33 LEU HBy A 34 ASN HBy 1.0 2.0 6.0 1558 1547 A 10 VAL HB A 9 ALA HA 1.0 1.8 6.0 1559 1548 A 74 LYS HEy A 78 VAL HGx% 1.0 1.9 6.0 1560 1549 A 43 PRO HA A 50 LEU HDx% 1.0 1.9 6.0 1561 1550 A 33 LEU HG A 30 GLU HGy 1.0 2.0 6.0 1562 1551 A 89 PHE HBy A 18 LEU HBx 1.0 1.8 6.0 1563 1552 A 21 ILE HD1% A 62 LEU HDy% 1.0 2.0 6.0 1564 1553 A 75 PRO HDy A 74 LYS HEy 1.0 2.0 6.0 1565 1554 A 13 GLU HA A 14 ILE HB 1.0 1.8 6.0 1566 1555 A 30 GLU HGy A 33 LEU HBx 1.0 2.0 6.0 1567 1556 A 62 LEU HDy% A 63 GLU HA 1.0 2.0 6.0 1568 1557 A 45 GLU H A 75 PRO HGy 1.0 1.9 6.0 1569 1558 A 89 PHE HE% A 21 ILE HG1y 1.0 2.0 6.0 1570 1559 A 26 TYR HE% A 55 ILE HD1% 1.0 2.0 5.2 1571 1560 A 43 PRO HA A 43 PRO HDy 1.0 2.0 6.0 1572 1561 A 38 LYS HA A 38 LYS H 1.0 2.0 6.0 1573 1562 A 11 ASP HA A 12 VAL HA 1.0 1.9 6.0 1574 1563 A 66 PRO HA A 66 PRO HGy 1.0 1.9 6.0 1575 1564 A 58 ALA HA A 73 LEU HDy% 1.0 2.0 6.0 1576 1565 A 51 ARG HA A 54 VAL HB 1.0 2.0 5.8 1577 1566 A 85 PHE HA A 85 PHE HE% 1.0 2.0 6.0 1578 1567 A 85 PHE HA A 83 VAL HGy% 1.0 2.0 6.0 1579 1568 A 66 PRO HDx A 67 LYS HGy 1.0 2.0 5.2 1580 1569 A 45 GLU HGx A 43 PRO HGy 1.0 1.9 6.0 1581 1570 A 62 LEU HDy% A 66 PRO HBy 1.0 2.0 6.0 1582 1571 A 85 PHE HZ A 44 GLU HBy 1.0 1.9 6.0 1583 1572 A 21 ILE HA A 29 ASP HBx 1.0 2.0 6.0 1584 1573 A 69 ARG H A 68 ILE HD1% 1.0 1.9 6.0 1585 1574 A 85 PHE H A 75 PRO HGy 1.0 1.9 6.0 1586 1575 A 34 ASN HA A 35 GLN HA 1.0 2.0 6.0 1587 1576 A 23 ALA HA A 22 ALA HA 1.0 2.0 6.0 1588 1577 A 53 TRP HBy A 56 LYS HBy 1.0 0.0 6.0 1589 1578 A 74 LYS HEy A 78 VAL HA 1.0 1.9 6.0 1590 1579 A 50 LEU HDx% A 40 ASN HA 1.0 2.0 6.0 1591 1580 A 26 TYR HBy A 21 ILE HD1% 1.0 2.0 6.0 1592 1581 A 33 LEU HBy A 30 GLU HGy 1.0 1.9 6.0 1593 1582 A 19 LYS H A 18 LEU HA 1.0 2.0 6.0 1594 1583 A 89 PHE HA A 90 ASP HBy 1.0 1.7 6.0 1595 1584 A 66 PRO HDy A 66 PRO HBx 1.0 1.7 6.0 1596 1585 A 66 PRO HA A 66 PRO HDy 1.0 1.9 6.0 1597 1586 A 74 LYS H A 74 LYS HGx 1.0 1.8 6.0 1598 1586 A 74 LYS H A 74 LYS HGy 1.0 1.8 6.0 1599 1587 A 59 HIS HD2 A 55 ILE HG2% 1.0 2.0 6.0 1600 1588 A 81 SER HA A 74 LYS HEy 1.0 1.9 6.0 1601 1589 A 41 ASP HBy A 38 LYS HA 1.0 1.9 6.0 1602 1590 A 31 LEU HBy A 32 LEU HDx% 1.0 1.9 6.0 1603 1591 A 23 ALA H A 21 ILE HA 1.0 2.0 6.0 1604 1592 A 54 VAL H A 52 ALA HB% 1.0 1.8 6.0 1605 1593 A 28 GLU HBy A 27 ALA HB% 1.0 1.9 6.0 1606 1594 A 77 ALA H A 76 ARG HBx 1.0 1.7 6.0 1607 1595 A 58 ALA HA A 73 LEU HDx% 1.0 2.0 6.0 1608 1596 A 43 PRO HA A 12 VAL HGx% 1.0 1.9 6.0 1609 1597 A 16 PHE HBy A 32 LEU HDx% 1.0 1.9 6.0 1610 1598 A 46 GLU HGy A 45 GLU HGy 1.0 1.8 6.0 1611 1599 A 74 LYS HA A 74 LYS HDy 1.0 1.9 6.0 1612 1600 A 55 ILE H A 56 LYS HBy 1.0 1.7 6.0 1613 1601 A 82 SER HBy A 9 ALA HA 1.0 1.9 6.0 1614 1602 A 75 PRO HGy A 74 LYS HEy 1.0 1.9 6.0 1615 1603 A 72 TYR HA A 73 LEU HG 1.0 1.7 6.0 1616 1604 A 87 VAL HGy% A 73 LEU HDy% 1.0 1.9 6.0 1617 1605 A 75 PRO HA A 74 LYS HEy 1.0 2.0 6.0 1618 1606 A 12 VAL HGx% A 14 ILE HG2% 1.0 1.7 6.0 1619 1607 A 17 PRO HDy A 17 PRO HBx 1.0 2.0 6.0 1620 1608 A 43 PRO HA A 39 VAL HGy% 1.0 2.0 6.0 1621 1609 A 70 GLU HA A 89 PHE HE% 1.0 1.9 6.0 1622 1610 A 70 GLU HA A 88 ILE HG2% 1.0 1.7 6.0 1623 1611 A 32 LEU HDx% A 20 ARG HDy 1.0 1.8 6.0 1624 1612 A 14 ILE HA A 87 VAL HA 1.0 2.0 6.0 1625 1613 A 21 ILE HA A 32 LEU HDx% 1.0 1.8 6.0 1626 1614 A 81 SER HA A 74 LYS HGx 1.0 1.7 6.0 1627 1614 A 81 SER HA A 74 LYS HGy 1.0 1.7 6.0 1628 1615 A 59 HIS HBx A 21 ILE HG1x 1.0 0.8 6.0 1629 1616 A 91 GLU HGy A 18 LEU HD1% 1.0 1.8 6.0 1630 1617 A 16 PHE HZ A 21 ILE HG1y 1.0 1.7 6.0 1631 1618 A 62 LEU HA A 63 GLU H 1.0 1.8 6.0 1632 1619 A 59 HIS HA A 56 LYS HA 1.0 1.1 6.0 1633 1620 A 26 TYR HBx A 27 ALA H 1.0 1.6 6.0 1634 1621 A 43 PRO HA A 43 PRO HDx 1.0 1.7 6.0 1635 1622 A 19 LYS HA A 22 ALA HA 1.0 0.8 6.0 1636 1623 A 73 LEU HDy% A 53 TRP HZ3 1.0 1.7 6.0 1637 1624 A 43 PRO HBx A 40 ASN HA 1.0 0.5 6.0 1638 1625 A 83 VAL HGy% A 74 LYS HEy 1.0 1.8 6.0 1639 1626 A 64 LYS HA A 66 PRO HGy 1.0 0.9 6.0 1640 1627 A 16 PHE HZ A 36 MET HGy 1.0 1.3 6.0 1641 1628 A 87 VAL HA A 14 ILE HG2% 1.0 0.2 6.0 1642 1629 A 60 GLU HA A 62 LEU H 1.0 0.8 6.0 1643 1630 A 65 ASN HBx A 67 LYS HBy 1.0 0.0 6.0 1644 1631 A 33 LEU HA A 36 MET HGy 1.0 0.0 6.0 1645 1632 A 85 PHE HD% A 14 ILE HD1% 1.0 1.9 3.9 1646 1633 A 16 PHE HZ A 36 MET HE% 1.0 1.9 4.3 1647 1634 A 88 ILE HG2% A 15 HIS HE1 1.0 2.0 5.6 1648 1635 A 89 PHE HE% A 62 LEU HDy% 1.0 1.8 3.8 1649 1636 A 89 PHE HD% A 89 PHE HBx 1.0 1.9 4.9 1650 1637 A 29 ASP H A 20 ARG HBx 1.0 2.0 5.6 1651 1638 A 15 HIS HD2 A 90 ASP HA 1.0 2.0 5.4 1652 1639 A 16 PHE HD% A 21 ILE HD1% 1.0 2.0 5.4 1653 1640 A 59 HIS HD2 A 60 GLU HGy 1.0 2.0 6.0 1654 1641 A 75 PRO HGx A 85 PHE HZ 1.0 1.2 6.0 1655 1642 A 88 ILE H A 15 HIS HA 1.0 1.8 3.6 1656 1642 A 85 PHE HA A 12 VAL H 1.0 1.8 3.6 1657 1643 A 16 PHE H A 14 ILE HA 1.0 2.0 5.0 1658 1643 A 14 ILE HA A 13 GLU H 1.0 2.0 5.0 1659 1644 A 39 VAL HA A 39 VAL H 1.0 1.8 3.8 1660 1644 A 22 ALA H A 22 ALA HA 1.0 1.8 3.8 1661 1645 A 59 HIS HE1 A 56 LYS HA 1.0 2.0 5.8 1662 1645 A 59 HIS HE1 A 22 ALA HA 1.0 2.0 5.8 1663 1646 A 17 PRO HDx A 35 GLN HE2y 1.0 1.8 4.0 1664 1646 A 52 ALA HA A 52 ALA H 1.0 1.8 4.0 1665 1647 A 36 MET H A 33 LEU HA 1.0 2.0 6.0 1666 1647 A 62 LEU HA A 63 GLU H 1.0 2.0 6.0 1667 1648 A 62 LEU HA A 62 LEU H 1.0 1.9 4.1 1668 1648 A 35 GLN HE2y A 32 LEU HA 1.0 1.9 4.1 1669 1649 A 34 ASN H A 33 LEU HA 1.0 2.0 4.8 1670 1649 A 31 LEU H A 30 GLU HA 1.0 2.0 4.8 1671 1650 A 34 ASN HD2y A 30 GLU HA 1.0 1.9 3.9 1672 1650 A 16 PHE HD% A 32 LEU HA 1.0 1.9 3.9 1673 1651 A 60 GLU HA A 60 GLU H 1.0 1.7 3.1 1674 1651 A 53 TRP H A 53 TRP HBy 1.0 1.7 3.1 1675 1652 A 40 ASN HBy A 40 ASN HD2x 1.0 2.0 4.6 1676 1652 A 81 SER H A 80 ASN HBx 1.0 2.0 4.6 1677 1653 A 15 HIS HD2 A 15 HIS HBy 1.0 1.9 6.0 1678 1653 A 35 GLN HGy A 35 GLN HE2y 1.0 1.9 6.0 1679 1654 A 51 ARG HBx A 54 VAL H 1.0 2.0 5.8 1680 1654 A 57 CYS HBy A 56 LYS H 1.0 2.0 5.8 1681 1655 A 51 ARG H A 51 ARG HBx 1.0 1.7 3.5 1682 1655 A 48 MET H A 48 MET HBy 1.0 1.7 3.5 1683 1656 A 28 GLU HBx A 27 ALA H 1.0 2.0 5.6 1684 1656 A 72 TYR HD% A 70 GLU HGy 1.0 2.0 5.6 1685 1657 A 24 GLU HBy A 24 GLU H 1.0 1.7 3.5 1686 1657 A 13 GLU H A 13 GLU HGy 1.0 1.7 3.5 1687 1658 A 25 GLY H A 24 GLU HBy 1.0 2.0 5.0 1688 1658 A 45 GLU H A 43 PRO HBx 1.0 2.0 5.0 1689 1659 A 11 ASP H A 10 VAL HB 1.0 1.8 4.0 1690 1659 A 31 LEU H A 30 GLU HBy 1.0 1.8 4.0 1691 1660 A 35 GLN HE2y A 17 PRO HGy 1.0 1.9 6.0 1692 1660 A 68 ILE HB A 65 ASN HD2y 1.0 1.9 6.0 1693 1660 A 34 ASN HD2y A 30 GLU HBy 1.0 1.9 6.0 1694 1661 A 85 PHE HD% A 43 PRO HBx 1.0 1.9 4.7 1695 1661 A 32 LEU H A 30 GLU HBy 1.0 1.9 4.7 1696 1662 A 47 GLY H A 49 PRO HGy 1.0 1.8 3.6 1697 1662 A 57 CYS H A 56 LYS HBy 1.0 1.8 3.6 1698 1663 A 92 GLU H A 91 GLU HBy 1.0 1.9 4.7 1699 1663 A 92 GLU H A 92 GLU HBy 1.0 1.9 4.7 1700 1664 A 65 ASN H A 66 PRO HGy 1.0 2.0 6.0 1701 1664 A 53 TRP HZ2 A 73 LEU HBx 1.0 2.0 6.0 1702 1665 A 72 TYR HD% A 73 LEU HBx 1.0 0.0 6.0 1703 1665 A 72 TYR HD% A 84 GLN HBy 1.0 0.0 6.0 1704 1666 A 85 PHE HD% A 12 VAL HB 1.0 1.8 3.6 1705 1666 A 16 PHE HZ A 55 ILE HG1x 1.0 1.8 3.6 1706 1667 A 48 MET H A 43 PRO HGy 1.0 2.0 5.4 1707 1667 A 35 GLN H A 31 LEU HBx 1.0 2.0 5.4 1708 1668 A 80 ASN HD2x A 75 PRO HBy 1.0 1.5 6.0 1709 1668 A 35 GLN HE2x A 31 LEU HBx 1.0 1.5 6.0 1710 1669 A 89 PHE HD% A 18 LEU HBx 1.0 2.0 6.0 1711 1669 A 35 GLN HE2y A 31 LEU HBx 1.0 2.0 6.0 1712 1670 A 16 PHE HZ A 55 ILE HB 1.0 2.0 5.2 1713 1670 A 32 LEU H A 31 LEU HG 1.0 2.0 5.2 1714 1671 A 68 ILE HG1x A 65 ASN HD2y 1.0 2.0 5.6 1715 1671 A 89 PHE HD% A 68 ILE HG1x 1.0 2.0 5.6 1716 1672 A 39 VAL H A 38 LYS HBy 1.0 1.9 4.9 1717 1672 A 21 ILE H A 20 ARG HBy 1.0 1.9 4.9 1718 1673 A 68 ILE HG1x A 65 ASN HD2y 1.0 1.9 4.1 1719 1673 A 20 ARG H A 20 ARG HBy 1.0 1.9 4.1 1720 1674 A 19 LYS H A 19 LYS HDy 1.0 2.0 5.2 1721 1674 A 71 VAL H A 87 VAL HB 1.0 2.0 5.2 1722 1675 A 80 ASN HD2y A 44 GLU HBx 1.0 2.0 6.0 1723 1675 A 23 ALA H A 20 ARG HBy 1.0 2.0 6.0 1724 1676 A 25 GLY H A 23 ALA HB% 1.0 1.9 4.7 1725 1676 A 45 GLU H A 44 GLU HBy 1.0 1.9 4.7 1726 1677 A 89 PHE HD% A 70 GLU HBy 1.0 0.0 6.0 1727 1677 A 16 PHE HD% A 58 ALA HB% 1.0 0.0 6.0 1728 1678 A 32 LEU H A 32 LEU HG 1.0 1.9 4.1 1729 1678 A 26 TYR H A 23 ALA HB% 1.0 1.9 4.1 1730 1679 A 89 PHE HE% A 68 ILE HG1y 1.0 2.0 5.4 1731 1679 A 33 LEU H A 33 LEU HG 1.0 2.0 5.4 1732 1680 A 85 PHE HZ A 77 ALA HB% 1.0 0.0 6.0 1733 1680 A 64 LYS H A 68 ILE HG1y 1.0 0.0 6.0 1734 1681 A 18 LEU H A 18 LEU HG 1.0 1.9 4.7 1735 1681 A 74 LYS H A 73 LEU HG 1.0 1.9 4.7 1736 1681 A 73 LEU H A 73 LEU HG 1.0 1.9 4.7 1737 1682 A 89 PHE HD% A 21 ILE HB 1.0 2.0 5.0 1738 1682 A 16 PHE HD% A 21 ILE HB 1.0 2.0 5.0 1739 1683 A 85 PHE HD% A 14 ILE HB 1.0 2.0 5.4 1740 1683 A 16 PHE HZ A 14 ILE HB 1.0 2.0 5.4 1741 1684 A 35 GLN HE2y A 31 LEU HDx% 1.0 1.9 6.0 1742 1684 A 16 PHE HE% A 14 ILE HD1% 1.0 1.9 6.0 1743 1685 A 31 LEU H A 31 LEU HDx% 1.0 1.9 5.3 1744 1685 A 56 LYS H A 55 ILE HG2% 1.0 1.9 5.3 1745 1686 A 85 PHE HE% A 14 ILE HD1% 1.0 2.0 5.8 1746 1686 A 85 PHE HE% A 12 VAL HGy% 1.0 2.0 5.8 1747 1687 A 35 GLN HE2y A 31 LEU HDx% 1.0 2.0 5.0 1748 1687 A 26 TYR HD% A 55 ILE HG2% 1.0 2.0 5.0 1749 1688 A 80 ASN HD2x A 45 GLU HBy 1.0 2.0 5.8 1750 1688 A 35 GLN HE2x A 31 LEU HDx% 1.0 2.0 5.8 1751 1689 A 89 PHE HD% A 71 VAL HGy% 1.0 1.8 3.6 1752 1689 A 89 PHE HD% A 18 LEU HD1% 1.0 1.8 3.6 1753 1690 A 16 PHE H A 88 ILE HG2% 1.0 1.9 5.5 1754 1690 A 87 VAL H A 73 LEU HDx% 1.0 1.9 5.5 1755 1690 A 90 ASP H A 88 ILE HG2% 1.0 1.9 5.5 1756 1691 A 16 PHE HZ A 55 ILE HD1% 1.0 2.0 5.0 1757 1691 A 85 PHE HD% A 83 VAL HGx% 1.0 2.0 5.0 1758 1692 A 16 PHE HD% A 21 ILE HD1% 1.0 1.7 3.1 1759 1692 A 89 PHE HD% A 21 ILE HG2% 1.0 1.7 3.1 1760 1693 A 18 LEU H A 18 LEU HD1% 1.0 1.9 4.3 1761 1693 A 73 LEU H A 73 LEU HDx% 1.0 1.9 4.3 1762 1694 A 56 LYS H A 21 ILE HD1% 1.0 1.9 4.9 1763 1694 A 56 LYS H A 55 ILE HD1% 1.0 1.9 4.9 1764 1695 A 59 HIS HD2 A 21 ILE HD1% 1.0 2.0 5.8 1765 1695 A 53 TRP HH2 A 73 LEU HDx% 1.0 2.0 5.8 1766 1696 A 54 VAL HGx% A 58 ALA H 1.0 2.0 6.0 1767 1696 A 58 ALA H A 73 LEU HDy% 1.0 2.0 6.0 1768 1697 A 47 GLY H A 45 GLU HGx 1.0 2.0 5.4 1769 1697 A 57 CYS H A 54 VAL HGx% 1.0 2.0 5.4 1770 1698 A 16 PHE HE% A 32 LEU HDx% 1.0 1.9 4.5 1771 1698 A 89 PHE HZ A 87 VAL HGx% 1.0 1.9 4.5 1772 1699 A 85 PHE HD% A 54 VAL HGy% 1.0 1.9 4.9 1773 1699 A 85 PHE HD% A 83 VAL HGy% 1.0 1.9 4.9 1774 1700 A 86 HIS H A 83 VAL HGy% 1.0 1.8 6.0 1775 1700 A 86 HIS H A 54 VAL HGy% 1.0 1.8 6.0 1776 1701 A 17 PRO HBy A 31 LEU HDx% 1.0 1.9 4.7 1777 1701 A 26 TYR HBy A 55 ILE HG2% 1.0 1.9 4.7 1778 1702 A 16 PHE H A 88 ILE HB 1.0 2.0 5.4 1779 1702 A 16 PHE H A 14 ILE HG2% 1.0 2.0 5.4 1780 1703 A 89 PHE HD% A 90 ASP H 1.0 2.0 5.0 1781 1703 A 16 PHE HD% A 16 PHE H 1.0 2.0 5.0 1782 1704 A 36 MET H A 33 LEU H 1.0 1.9 4.9 1783 1704 A 70 GLU H A 89 PHE HE% 1.0 1.9 4.9 1784 1705 A 26 TYR H A 23 ALA H 1.0 0.0 6.0 1785 1705 A 80 ASN HD2y A 85 PHE HE% 1.0 0.0 6.0 1786 1706 A 55 ILE H A 54 VAL H 1.0 1.9 4.1 1787 1706 A 55 ILE H A 56 LYS H 1.0 1.9 4.1 1788 1707 A 85 PHE HD% A 14 ILE H 1.0 2.0 6.0 1789 1707 A 53 TRP HE3 A 58 ALA H 1.0 2.0 6.0 1790 1708 A 73 LEU H A 87 VAL H 1.0 2.0 5.2 1791 1708 A 90 ASP H A 18 LEU H 1.0 2.0 5.2 1792 1709 A 48 MET H A 45 GLU H 1.0 0.0 6.0 1793 1709 A 25 GLY H A 59 HIS HE1 1.0 0.0 6.0 1794 1710 A 16 PHE HD% A 87 VAL HGx% 1.0 2.0 4.8 1795 1710 A 89 PHE HZ A 87 VAL HGx% 1.0 2.0 4.8 1796 1711 A 89 PHE HA A 21 ILE HG2% 1.0 2.0 4.8 1797 1711 A 89 PHE HA A 88 ILE HG2% 1.0 2.0 4.8 1798 1712 A 41 ASP HA A 50 LEU HBx 1.0 0.0 6.0 1799 1712 A 41 ASP HA A 48 MET HBy 1.0 0.0 6.0 1800 1713 A 38 LYS HA A 38 LYS HBy 1.0 1.9 3.7 1801 1713 A 83 VAL HB A 83 VAL HA 1.0 1.9 3.7 1802 1714 A 31 LEU HA A 31 LEU HBy 1.0 1.6 3.0 1803 1714 A 50 LEU HBy A 50 LEU HA 1.0 1.6 3.0 1804 1715 A 55 ILE HB A 56 LYS HA 1.0 1.9 4.3 1805 1715 A 52 ALA HA A 55 ILE HB 1.0 1.9 4.3 1806 1716 A 52 ALA HA A 55 ILE HD1% 1.0 1.9 4.9 1807 1716 A 21 ILE HG2% A 22 ALA HA 1.0 1.9 4.9 1808 1717 A 30 GLU HA A 33 LEU HBx 1.0 1.9 4.3 1809 1717 A 33 LEU HA A 33 LEU HBx 1.0 1.9 4.3 1810 1718 A 33 LEU HA A 33 LEU HG 1.0 1.9 3.9 1811 1718 A 32 LEU HA A 32 LEU HG 1.0 1.9 3.9 1812 1719 A 88 ILE HA A 88 ILE HG2% 1.0 1.0 2.2 1813 1719 A 18 LEU HA A 21 ILE HG2% 1.0 1.0 2.2 1814 1720 A 46 GLU HA A 50 LEU HBy 1.0 2.0 6.0 1815 1720 A 88 ILE HA A 87 VAL HB 1.0 2.0 6.0 1816 1721 A 85 PHE HBx A 54 VAL HGy% 1.0 2.0 5.4 1817 1721 A 32 LEU HDx% A 29 ASP HBx 1.0 2.0 5.4 1818 1722 A 89 PHE HBx A 18 LEU HD1% 1.0 2.0 6.0 1819 1722 A 80 ASN HBx A 83 VAL HGx% 1.0 2.0 6.0 1820 1723 A 89 PHE HBy A 18 LEU HD1% 1.0 2.0 4.6 1821 1723 A 55 ILE HD1% A 36 MET HGx 1.0 2.0 4.6 1822 1724 A 91 GLU HA A 91 GLU HBy 1.0 1.8 3.4 1823 1724 A 20 ARG HA A 20 ARG HBx 1.0 1.8 3.4 1824 1725 A 23 ALA HA A 24 GLU HBy 1.0 0.0 6.0 1825 1725 A 35 GLN HA A 38 LYS HBx 1.0 0.0 6.0 1826 1726 A 24 GLU HA A 24 GLU HBy 1.0 1.6 2.8 1827 1726 A 68 ILE HA A 68 ILE HB 1.0 1.6 2.8 1828 1727 A 44 GLU HA A 43 PRO HBy 1.0 1.9 4.1 1829 1727 A 68 ILE HA A 69 ARG HBx 1.0 1.9 4.1 1830 1727 A 46 GLU HBx A 50 LEU HA 1.0 1.9 4.1 1831 1728 A 49 PRO HDx A 48 MET HBx 1.0 1.9 4.1 1832 1728 A 57 CYS HA A 57 CYS HBy 1.0 1.9 4.1 1833 1729 A 75 PRO HDy A 74 LYS HBx 1.0 1.8 3.8 1834 1729 A 57 CYS HA A 60 GLU HBy 1.0 1.8 3.8 1835 1730 A 60 GLU HA A 60 GLU HBy 1.0 1.6 2.8 1836 1730 A 66 PRO HDx A 66 PRO HGx 1.0 1.6 2.8 1837 1731 A 49 PRO HDy A 46 GLU HBy 1.0 1.8 3.8 1838 1731 A 49 PRO HGx A 49 PRO HDy 1.0 1.8 3.8 1839 1732 A 57 CYS HBy A 73 LEU HDx% 1.0 1.9 5.1 1840 1732 A 51 ARG HBx A 55 ILE HD1% 1.0 1.9 5.1 1841 1733 A 55 ILE HB A 55 ILE HD1% 1.0 2.0 5.8 1842 1733 A 83 VAL HB A 83 VAL HGx% 1.0 2.0 5.8 1843 1734 A 73 LEU HBy A 73 LEU HDx% 1.0 1.9 6.0 1844 1734 A 55 ILE HB A 55 ILE HD1% 1.0 1.9 6.0 1845 1735 A 55 ILE HB A 55 ILE HG1y 1.0 1.9 4.1 1846 1735 A 73 LEU HBy A 73 LEU HDy% 1.0 1.9 4.1 1847 1736 A 55 ILE HD1% A 51 ARG HBy 1.0 1.8 3.8 1848 1736 A 70 GLU HBy A 88 ILE HG2% 1.0 1.8 3.8 1849 1737 A 15 HIS HBy A 88 ILE HB 1.0 1.9 4.9 1850 1737 A 15 HIS HBy A 14 ILE HG2% 1.0 1.9 4.9 1851 1738 A 72 TYR H A 87 VAL HB 1.0 0.0 6.0 1852 1738 A 72 TYR H A 73 LEU HBy 1.0 0.0 6.0 1853 1739 A 86 HIS H A 73 LEU HBx 1.0 0.0 6.0 1854 1739 A 86 HIS H A 84 GLN HBy 1.0 0.0 6.0 1855 1740 A 74 LYS H A 74 LYS HGy 1.0 0.0 6.0 1856 1740 A 74 LYS H A 73 LEU HG 1.0 0.0 6.0 1857 1741 A 29 ASP H A 32 LEU HBx 1.0 2.0 6.0 1858 1741 A 29 ASP H A 28 GLU HGy 1.0 2.0 6.0 1859 1742 A 55 ILE H A 56 LYS HA 1.0 1.9 5.1 1860 1742 A 64 LYS HA A 63 GLU H 1.0 1.9 5.1 1861 1742 A 52 ALA HA A 55 ILE H 1.0 1.9 5.1 1862 1743 A 16 PHE HD% A 36 MET H 1.0 1.9 6.0 1863 1743 A 36 MET H A 35 GLN HE2y 1.0 1.9 6.0 1864 1744 A 68 ILE HB A 65 ASN HD2y 1.0 2.0 6.0 1865 1744 A 34 ASN HD2y A 30 GLU HBy 1.0 2.0 6.0 1866 1745 A 67 LYS HEy A 67 LYS HDy 1.0 1.5 2.5 1867 1745 A 19 LYS HEy A 19 LYS HDy 1.0 1.5 2.5 1868 1746 A 78 VAL HB A 78 VAL HGx% 1.0 1.5 2.5 1869 1746 A 10 VAL HB A 10 VAL HGx% 1.0 1.5 2.5 1870 1747 A 43 PRO HGx A 43 PRO HDy 1.0 1.5 2.7 1871 1747 A 66 PRO HDy A 66 PRO HGy 1.0 1.5 2.7 1872 1748 A 10 VAL HA A 10 VAL HGx% 1.0 1.6 3.0 1873 1748 A 12 VAL HGx% A 12 VAL HA 1.0 1.6 3.0 1874 1749 A 33 LEU HBx A 33 LEU HDx% 1.0 1.7 3.3 1875 1749 A 31 LEU HBy A 31 LEU HDx% 1.0 1.7 3.3 1876 1750 A 67 LYS HEy A 67 LYS HBx 1.0 1.9 4.1 1877 1750 A 85 PHE HBx A 73 LEU HBx 1.0 1.9 4.1 1878 1751 A 21 ILE HD1% A 31 LEU HDx% 1.0 0.0 6.0 1879 1751 A 55 ILE HG1y A 33 LEU HDx% 1.0 0.0 6.0 1880 1752 A 10 VAL HGx% A 84 GLN HA 1.0 0.0 6.0 1881 1752 A 12 VAL HGx% A 84 GLN HA 1.0 0.0 6.0 1882 1753 A 20 ARG HBx A 21 ILE HG2% 1.0 2.0 5.4 1883 1753 A 28 GLU HGy A 27 ALA HB% 1.0 2.0 5.4 1884 1754 A 75 PRO HA A 77 ALA HB% 1.0 2.0 5.6 1885 1754 A 77 ALA HB% A 78 VAL HA 1.0 2.0 5.6 1886 1755 A 52 ALA HB% A 48 MET HGy 1.0 1.9 5.1 1887 1755 A 32 LEU HG A 36 MET HGx 1.0 1.9 5.1 1888 1756 A 21 ILE HD1% A 32 LEU HA 1.0 2.0 5.6 1889 1756 A 55 ILE HD1% A 32 LEU HA 1.0 2.0 5.6 1890 1757 A 52 ALA HA A 36 MET HE% 1.0 2.0 6.0 1891 1757 A 39 VAL HA A 36 MET HE% 1.0 2.0 6.0 1892 1758 A 15 HIS HBy A 14 ILE HG2% 1.0 2.0 6.0 1893 1758 A 14 ILE HG2% A 36 MET HGx 1.0 2.0 6.0 1894 1759 A 62 LEU H A 63 GLU HA 1.0 2.0 6.0 1895 1759 A 20 ARG H A 18 LEU HA 1.0 2.0 6.0 1896 1760 A 21 ILE H A 18 LEU HD1% 1.0 2.0 6.0 1897 1760 A 22 ALA H A 18 LEU HD1% 1.0 2.0 6.0 1898 1761 A 50 LEU HDx% A 36 MET HGx 1.0 2.0 6.0 1899 1761 A 39 VAL HGy% A 36 MET HGx 1.0 2.0 6.0 1900 1762 A 35 GLN HBy A 39 VAL HGy% 1.0 1.9 4.9 1901 1762 A 39 VAL HGy% A 36 MET HGy 1.0 1.9 4.9 1902 1763 A 17 PRO HBx A 18 LEU HBy 1.0 2.0 6.0 1903 1763 A 20 ARG HBx A 21 ILE HB 1.0 2.0 6.0 1904 1764 A 12 VAL HB A 11 ASP HBy 1.0 1.9 6.0 1905 1764 A 84 GLN HBy A 11 ASP HBy 1.0 1.9 6.0 1906 1765 A 14 ILE HB A 55 ILE HD1% 1.0 1.9 6.0 1907 1765 A 14 ILE HB A 88 ILE HG2% 1.0 1.9 6.0 1908 1766 A 75 PRO HGy A 83 VAL HA 1.0 1.8 6.0 1909 1766 A 45 GLU HA A 75 PRO HGy 1.0 1.8 6.0 1910 1767 A 16 PHE HE% A 21 ILE HG1x 1.0 1.8 6.0 1911 1767 A 89 PHE HZ A 21 ILE HG1x 1.0 1.8 6.0 1912 1768 A 89 PHE HD% A 21 ILE HG1x 1.0 1.8 6.0 1913 1768 A 16 PHE HE% A 21 ILE HG1y 1.0 1.8 6.0 1914 1768 A 89 PHE HD% A 21 ILE HG1y 1.0 1.8 6.0 1915 1769 A 53 TRP HE3 A 54 VAL HB 1.0 1.8 6.0 1916 1769 A 16 PHE HE% A 54 VAL HB 1.0 1.8 6.0 1917 1770 A 72 TYR HBx A 71 VAL HGx% 1.0 1.4 6.0 1918 1770 A 85 PHE HBy A 12 VAL HGy% 1.0 1.4 6.0 1919 1771 A 53 TRP HD1 A 51 ARG HBx 1.0 0.0 6.0 1920 1771 A 53 TRP HD1 A 50 LEU HBx 1.0 0.0 6.0 1921 1772 A 16 PHE HD% A 36 MET HGx 1.0 2.0 5.4 1922 1772 A 26 TYR HD% A 59 HIS HBx 1.0 2.0 5.4 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-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 20 ARG H A 17 PRO O 1.0 1.2 2.2 2 2 A 17 PRO O A 20 ARG N 1.0 2.2 3.2 3 3 A 21 ILE H A 17 PRO O 1.0 1.2 2.2 4 4 A 17 PRO O A 21 ILE N 1.0 2.2 3.2 5 5 A 23 ALA H A 20 ARG O 1.0 1.2 2.2 6 6 A 20 ARG O A 23 ALA N 1.0 2.2 3.2 7 7 A 29 ASP H A 24 GLU O 1.0 1.2 2.2 8 8 A 24 GLU O A 29 ASP N 1.0 2.2 3.2 9 9 A 32 LEU H A 27 ALA O 1.0 1.2 2.2 10 10 A 27 ALA O A 32 LEU N 1.0 2.2 3.2 11 11 A 34 ASN H A 30 GLU O 1.0 1.5 2.1 12 12 A 30 GLU O A 34 ASN N 1.0 2.5 3.1 13 13 A 35 GLN H A 31 LEU O 1.0 1.5 2.1 14 14 A 31 LEU O A 35 GLN N 1.0 2.5 3.1 15 15 A 36 MET H A 32 LEU O 1.0 1.5 2.1 16 16 A 32 LEU O A 36 MET N 1.0 2.5 3.1 17 17 A 37 GLY H A 33 LEU O 1.0 1.5 2.1 18 18 A 33 LEU O A 37 GLY N 1.0 2.5 3.1 19 19 A 38 LYS H A 34 ASN O 1.0 1.5 2.1 20 20 A 34 ASN O A 38 LYS N 1.0 2.5 3.1 21 21 A 39 VAL H A 35 GLN O 1.0 1.5 2.1 22 22 A 35 GLN O A 39 VAL N 1.0 2.5 3.1 23 23 A 51 ARG H A 47 GLY O 1.0 1.5 2.1 24 24 A 47 GLY O A 51 ARG N 1.0 2.5 3.1 25 25 A 52 ALA H A 48 MET O 1.0 1.5 2.1 26 26 A 48 MET O A 52 ALA N 1.0 2.5 3.1 27 27 A 53 TRP H A 49 PRO O 1.0 1.5 2.1 28 28 A 49 PRO O A 53 TRP N 1.0 2.5 3.1 29 29 A 54 VAL H A 50 LEU O 1.0 1.5 2.1 30 30 A 50 LEU O A 54 VAL N 1.0 2.5 3.1 31 31 A 55 ILE H A 51 ARG O 1.0 1.5 2.1 32 32 A 51 ARG O A 55 ILE N 1.0 2.5 3.1 33 33 A 56 LYS H A 52 ALA O 1.0 1.5 2.1 34 34 A 52 ALA O A 56 LYS N 1.0 2.5 3.1 35 35 A 57 CYS H A 53 TRP O 1.0 1.5 2.1 36 36 A 53 TRP O A 57 CYS N 1.0 2.5 3.1 37 37 A 58 ALA H A 54 VAL O 1.0 1.5 2.1 38 38 A 54 VAL O A 58 ALA N 1.0 2.5 3.1 39 39 A 59 HIS H A 55 ILE O 1.0 1.5 2.1 40 40 A 55 ILE O A 59 HIS N 1.0 2.5 3.1 41 41 A 60 GLU H A 56 LYS O 1.0 1.5 2.1 42 42 A 56 LYS O A 60 GLU N 1.0 2.5 3.1 43 43 A 61 ALA H A 57 CYS O 1.0 1.5 2.1 44 44 A 57 CYS O A 61 ALA N 1.0 2.5 3.1 45 45 A 62 LEU H A 58 ALA O 1.0 1.5 2.1 46 46 A 58 ALA O A 62 LEU N 1.0 2.5 3.1 47 47 A 63 GLU H A 59 HIS O 1.0 1.5 2.1 48 48 A 59 HIS O A 63 GLU N 1.0 2.5 3.1 49 49 A 73 LEU H A 85 PHE O 1.0 1.5 2.1 50 50 A 85 PHE O A 73 LEU N 1.0 2.5 3.1 51 51 A 85 PHE H A 73 LEU O 1.0 1.5 2.1 52 52 A 73 LEU O A 85 PHE N 1.0 2.5 3.1 53 53 A 71 VAL H A 87 VAL O 1.0 1.5 2.1 54 54 A 87 VAL O A 71 VAL N 1.0 2.5 3.1 55 55 A 87 VAL H A 71 VAL O 1.0 1.5 2.1 56 56 A 71 VAL O A 87 VAL N 1.0 2.5 3.1 57 57 A 89 PHE H A 69 ARG O 1.0 1.5 2.1 58 58 A 69 ARG O A 89 PHE N 1.0 2.5 3.1 59 59 A 84 GLN H A 10 VAL O 1.0 1.5 2.1 60 60 A 10 VAL O A 84 GLN N 1.0 2.5 3.1 61 61 A 10 VAL H A 82 SER O 1.0 1.5 2.1 62 62 A 82 SER O A 10 VAL N 1.0 2.5 3.1 63 63 A 12 VAL H A 84 GLN O 1.0 1.5 2.1 64 64 A 84 GLN O A 12 VAL N 1.0 2.5 3.1 65 65 A 86 HIS H A 12 VAL O 1.0 1.5 2.1 66 66 A 12 VAL O A 86 HIS N 1.0 2.5 3.1 67 67 A 14 ILE H A 86 HIS O 1.0 1.5 2.1 68 68 A 86 HIS O A 14 ILE N 1.0 2.5 3.1 69 69 A 88 ILE H A 14 ILE O 1.0 1.5 2.1 70 70 A 14 ILE O A 88 ILE N 1.0 2.5 3.1 71 71 A 16 PHE H A 88 ILE O 1.0 1.5 2.1 72 72 A 88 ILE O A 16 PHE N 1.0 2.5 3.1 73 73 A 90 ASP H A 16 PHE O 1.0 1.5 2.1 74 74 A 16 PHE O A 90 ASP N 1.0 2.5 3.1 75 75 A 18 LEU H A 90 ASP O 1.0 1.5 2.1 76 76 A 90 ASP O A 18 LEU N 1.0 2.5 3.1 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 8 PRO C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -124.0 -86.0 PHI 2 2 A 9 ALA C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -138.0 -92.0 PHI 3 3 A 10 VAL C A 11 ASP N A 11 ASP CA A 11 ASP C 1.0 -136.0 -82.0 PHI 4 4 A 11 ASP C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -130.0 -90.0 PHI 5 5 A 12 VAL C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -122.0 -88.0 PHI 6 6 A 13 GLU C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -134.0 -96.0 PHI 7 7 A 14 ILE C A 15 HIS N A 15 HIS CA A 15 HIS C 1.0 -136.0 -100.0 PHI 8 8 A 17 PRO C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -55.0 -43.0 PHI 9 9 A 18 LEU C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -77.0 -49.0 PHI 10 10 A 19 LYS C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -101.0 -81.0 PHI 11 11 A 25 GLY C A 26 TYR N A 26 TYR CA A 26 TYR C 1.0 -83.0 -59.0 PHI 12 12 A 29 ASP C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -64.0 -52.0 PHI 13 13 A 30 GLU C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -76.0 -56.0 PHI 14 14 A 31 LEU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -72.0 -56.0 PHI 15 15 A 32 LEU C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -70.0 -54.0 PHI 16 16 A 33 LEU C A 34 ASN N A 34 ASN CA A 34 ASN C 1.0 -73.0 -57.0 PHI 17 17 A 34 ASN C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -87.0 -65.0 PHI 18 18 A 49 PRO C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -57.0 -47.0 PHI 19 19 A 50 LEU C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -80.0 -56.0 PHI 20 20 A 51 ARG C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -63.0 -59.0 PHI 21 21 A 52 ALA C A 53 TRP N A 53 TRP CA A 53 TRP C 1.0 -71.0 -59.0 PHI 22 22 A 53 TRP C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -69.0 -59.0 PHI 23 23 A 54 VAL C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -67.0 -57.0 PHI 24 24 A 55 ILE C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -74.0 -56.0 PHI 25 25 A 56 LYS C A 57 CYS N A 57 CYS CA A 57 CYS C 1.0 -71.0 -59.0 PHI 26 26 A 57 CYS C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -65.0 -55.0 PHI 27 27 A 59 HIS C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -69.0 -59.0 PHI 28 28 A 60 GLU C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -75.0 -59.0 PHI 29 29 A 61 ALA C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -84.0 -58.0 PHI 30 30 A 62 LEU C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -81.0 -59.0 PHI 31 31 A 69 ARG C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -164.0 -124.0 PHI 32 32 A 70 GLU C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -146.0 -116.0 PHI 33 33 A 71 VAL C A 72 TYR N A 72 TYR CA A 72 TYR C 1.0 -138.0 -112.0 PHI 34 34 A 72 TYR C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -139.0 -109.0 PHI 35 35 A 73 LEU C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -131.0 -99.0 PHI 36 36 A 77 ALA C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -82.0 -58.0 PHI 37 37 A 78 VAL C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -70.0 -58.0 PHI 38 38 A 79 LYS C A 80 ASN N A 80 ASN CA A 80 ASN C 1.0 -79.0 -65.0 PHI 39 39 A 82 SER C A 83 VAL N A 83 VAL CA A 83 VAL C 1.0 -140.0 -90.0 PHI 40 40 A 83 VAL C A 84 GLN N A 84 GLN CA A 84 GLN C 1.0 -149.0 -111.0 PHI 41 41 A 84 GLN C A 85 PHE N A 85 PHE CA A 85 PHE C 1.0 -139.0 -99.0 PHI 42 42 A 85 PHE C A 86 HIS N A 86 HIS CA A 86 HIS C 1.0 -122.0 -90.0 PHI 43 43 A 86 HIS C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -121.0 -93.0 PHI 44 44 A 87 VAL C A 88 ILE N A 88 ILE CA A 88 ILE C 1.0 -124.0 -96.0 PHI 45 45 A 88 ILE C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -124.0 -104.0 PHI 46 46 A 89 PHE C A 90 ASP N A 90 ASP CA A 90 ASP C 1.0 -110.0 -78.0 PHI 47 47 A 90 ASP C A 91 GLU N A 91 GLU CA A 91 GLU C 1.0 -142.0 -84.0 PHI 48 48 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 VAL N 1.0 110.0 152.0 PSI 49 49 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 ASP N 1.0 120.0 142.0 PSI 50 50 A 11 ASP N A 11 ASP CA A 11 ASP C A 12 VAL N 1.0 120.0 144.0 PSI 51 51 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 GLU N 1.0 120.0 138.0 PSI 52 52 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 ILE N 1.0 113.0 135.0 PSI 53 53 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 HIS N 1.0 124.0 152.0 PSI 54 54 A 15 HIS N A 15 HIS CA A 15 HIS C A 16 PHE N 1.0 113.0 151.0 PSI 55 55 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 LYS N 1.0 -51.0 -35.0 PSI 56 56 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 ARG N 1.0 -44.0 -20.0 PSI 57 57 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 ILE N 1.0 -35.0 17.0 PSI 58 58 A 26 TYR N A 26 TYR CA A 26 TYR C A 27 ALA N 1.0 -47.0 1.0 PSI 59 59 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 LEU N 1.0 -47.0 -21.0 PSI 60 60 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 LEU N 1.0 -42.0 -20.0 PSI 61 61 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 LEU N 1.0 -52.0 -22.0 PSI 62 62 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 ASN N 1.0 -46.0 -36.0 PSI 63 63 A 34 ASN N A 34 ASN CA A 34 ASN C A 35 GLN N 1.0 -49.0 -21.0 PSI 64 64 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 MET N 1.0 -43.0 -11.0 PSI 65 65 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 ARG N 1.0 -43.0 -31.0 PSI 66 66 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 ALA N 1.0 -49.0 -21.0 PSI 67 67 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 TRP N 1.0 -47.0 -35.0 PSI 68 68 A 53 TRP N A 53 TRP CA A 53 TRP C A 54 VAL N 1.0 -48.0 -34.0 PSI 69 69 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 ILE N 1.0 -51.0 -41.0 PSI 70 70 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 LYS N 1.0 -47.0 -33.0 PSI 71 71 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 CYS N 1.0 -50.0 -34.0 PSI 72 72 A 57 CYS N A 57 CYS CA A 57 CYS C A 58 ALA N 1.0 -48.0 -36.0 PSI 73 73 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 HIS N 1.0 -45.0 -35.0 PSI 74 74 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 ALA N 1.0 -47.0 -35.0 PSI 75 75 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 LEU N 1.0 -44.0 -28.0 PSI 76 76 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 GLU N 1.0 -47.0 -19.0 PSI 77 77 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LYS N 1.0 -46.0 -28.0 PSI 78 78 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 VAL N 1.0 152.0 168.0 PSI 79 79 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 TYR N 1.0 124.0 156.0 PSI 80 80 A 72 TYR N A 72 TYR CA A 72 TYR C A 73 LEU N 1.0 113.0 139.0 PSI 81 81 A 73 LEU N A 73 LEU CA A 73 LEU C A 74 LYS N 1.0 126.0 144.0 PSI 82 82 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 PRO N 1.0 92.0 130.0 PSI 83 83 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 LYS N 1.0 -47.0 -7.0 PSI 84 84 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 ASN N 1.0 -39.0 -25.0 PSI 85 85 A 80 ASN N A 80 ASN CA A 80 ASN C A 81 SER N 1.0 -36.0 -8.0 PSI 86 86 A 83 VAL N A 83 VAL CA A 83 VAL C A 84 GLN N 1.0 131.0 159.0 PSI 87 87 A 84 GLN N A 84 GLN CA A 84 GLN C A 85 PHE N 1.0 138.0 164.0 PSI 88 88 A 85 PHE N A 85 PHE CA A 85 PHE C A 86 HIS N 1.0 117.0 141.0 PSI 89 89 A 86 HIS N A 86 HIS CA A 86 HIS C A 87 VAL N 1.0 104.0 130.0 PSI 90 90 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 ILE N 1.0 114.0 132.0 PSI 91 91 A 88 ILE N A 88 ILE CA A 88 ILE C A 89 PHE N 1.0 121.0 141.0 PSI 92 92 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 ASP N 1.0 107.0 137.0 PSI 93 93 A 90 ASP N A 90 ASP CA A 90 ASP C A 91 GLU N 1.0 116.0 142.0 PSI 94 94 A 91 GLU N A 91 GLU CA A 91 GLU C A 92 GLU N 1.0 116.0 134.0 PSI stop_ save_