data_nef_c19003_2m4h 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 BMRB 19002 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 9 ILE start . . 2 A 10 GLY middle . false 3 A 11 THR middle . . 4 A 12 TYR middle . . 5 A 13 ARG middle . . 6 A 14 GLY middle . false 7 A 15 ARG middle . . 8 A 16 GLY middle . false 9 A 17 VAL middle . . 10 A 18 ALA middle . . 11 A 19 LEU middle . . 12 A 20 THR middle . . 13 A 21 ASP middle . . 14 A 22 ASP middle . . 15 A 23 GLU middle . . 16 A 24 TYR middle . . 17 A 25 ASP middle . . 18 A 26 GLU middle . . 19 A 27 TRP middle . . 20 A 28 ARG middle . . 21 A 29 GLU middle . . 22 A 30 HIS middle . . 23 A 31 ASN middle . . 24 A 32 ALA middle . . 25 A 33 SER middle . . 26 A 34 ARG middle . . 27 A 35 LYS middle . . 28 A 36 LEU middle . . 29 A 37 ASP middle . . 30 A 38 LEU middle . . 31 A 39 SER middle . . 32 A 40 VAL middle . . 33 A 41 GLU middle . . 34 A 42 ASP middle . . 35 A 43 PHE middle . . 36 A 44 LEU middle . . 37 A 45 MET middle . . 38 A 46 LEU middle . . 39 A 47 ARG middle . . 40 A 48 HIS middle . . 41 A 49 ARG middle . . 42 A 50 ALA middle . . 43 A 51 ALA middle . . 44 A 52 LEU middle . . 45 A 53 GLY middle . false 46 A 54 ALA middle . . 47 A 55 ASP middle . . 48 A 56 ASP middle . . 49 A 57 ASN middle . . 50 A 58 ASP middle . . 51 A 59 ALA middle . . 52 A 60 VAL middle . . 53 A 61 LYS middle . . 54 A 62 PHE middle . . 55 A 63 ARG middle . . 56 A 64 SER middle . . 57 A 65 TRP middle . . 58 A 66 TRP middle . . 59 A 67 ASN middle . . 60 A 68 SER middle . . 61 A 69 ARG middle . . 62 A 70 THR middle . . 63 A 71 LYS middle . . 64 A 72 MET middle . . 65 A 73 ALA middle . . 66 A 74 ASN middle . . 67 A 75 ASP middle . . 68 A 76 TYR middle . . 69 A 77 GLU middle . . 70 A 78 ASP middle . . 71 A 79 VAL 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 9 ILE H H 1 8.357 0.000 A 9 ILE C C 13 176.695 0.000 A 9 ILE CA C 13 61.671 0.000 A 9 ILE CB C 13 38.539 0.000 A 9 ILE N N 15 122.683 0.000 A 10 GLY H H 1 8.484 0.000 A 10 GLY HAx H 1 3.965 0.000 A 10 GLY HAy H 1 3.965 0.000 A 10 GLY C C 13 174.507 0.000 A 10 GLY CA C 13 45.612 0.000 A 10 GLY N N 15 112.082 0.000 A 11 THR H H 1 8.010 0.000 A 11 THR HA H 1 4.246 0.000 A 11 THR HB H 1 4.107 0.000 A 11 THR HG2% H 1 1.077 0.000 A 11 THR C C 13 174.586 0.000 A 11 THR CA C 13 62.246 0.000 A 11 THR CB C 13 69.310 0.000 A 11 THR CG2 C 13 21.505 0.000 A 11 THR N N 15 114.405 0.000 A 12 TYR H H 1 8.274 0.000 A 12 TYR HA H 1 4.395 0.000 A 12 TYR HBx H 1 2.900 0.000 A 12 TYR HBy H 1 2.900 0.000 A 12 TYR HDx H 1 6.988 0.000 A 12 TYR HDy H 1 6.988 0.000 A 12 TYR HEx H 1 6.740 0.000 A 12 TYR HEy H 1 6.740 0.000 A 12 TYR C C 13 176.070 0.000 A 12 TYR CA C 13 58.510 0.000 A 12 TYR CB C 13 38.584 0.000 A 12 TYR CDx C 13 132.988 0.000 A 12 TYR CDy C 13 132.988 0.000 A 12 TYR CEx C 13 118.288 0.000 A 12 TYR CEy C 13 118.288 0.000 A 12 TYR N N 15 123.008 0.000 A 13 ARG H H 1 8.371 0.000 A 13 ARG HA H 1 4.250 0.000 A 13 ARG HBx H 1 1.602 0.000 A 13 ARG HBy H 1 1.767 0.000 A 13 ARG HDx H 1 3.137 0.000 A 13 ARG HDy H 1 3.137 0.000 A 13 ARG HGx H 1 1.495 0.000 A 13 ARG HGy H 1 1.636 0.000 A 13 ARG C C 13 176.829 0.000 A 13 ARG CA C 13 56.375 0.000 A 13 ARG CB C 13 30.489 0.000 A 13 ARG CD C 13 43.210 0.000 A 13 ARG CG C 13 26.959 0.000 A 13 ARG N N 15 123.852 0.000 A 14 GLY H H 1 7.646 0.000 A 14 GLY HAx H 1 3.976 0.000 A 14 GLY HAy H 1 3.976 0.000 A 14 GLY C C 13 173.911 0.000 A 14 GLY CA C 13 45.167 0.000 A 14 GLY N N 15 108.394 0.000 A 15 ARG H H 1 8.568 0.000 A 15 ARG HA H 1 4.266 0.000 A 15 ARG HBx H 1 1.737 0.000 A 15 ARG HBy H 1 1.849 0.000 A 15 ARG HDx H 1 3.104 0.000 A 15 ARG HDy H 1 3.104 0.000 A 15 ARG HGy H 1 1.623 0.000 A 15 ARG HGx H 1 1.489 0.000 A 15 ARG C C 13 177.053 0.000 A 15 ARG CA C 13 56.286 0.000 A 15 ARG CB C 13 30.578 0.000 A 15 ARG CD C 13 43.226 0.000 A 15 ARG CG C 13 27.016 0.000 A 15 ARG N N 15 121.238 0.000 A 16 GLY H H 1 8.525 0.000 A 16 GLY HAx H 1 3.888 0.000 A 16 GLY HAy H 1 3.920 0.000 A 16 GLY C C 13 173.911 0.000 A 16 GLY CA C 13 45.523 0.000 A 16 GLY N N 15 110.085 0.000 A 17 VAL H H 1 7.779 0.000 A 17 VAL HA H 1 4.049 0.000 A 17 VAL HB H 1 1.954 0.000 A 17 VAL HGx% H 1 0.823 0.000 A 17 VAL HGy% H 1 0.823 0.000 A 17 VAL C C 13 175.147 0.000 A 17 VAL CA C 13 61.890 0.000 A 17 VAL CB C 13 32.713 0.000 A 17 VAL CG1 C 13 20.746 0.000 A 17 VAL CG2 C 13 20.746 0.000 A 17 VAL N N 15 119.300 0.000 A 18 ALA H H 1 8.367 0.000 A 18 ALA HA H 1 4.334 0.000 A 18 ALA HB% H 1 1.310 0.000 A 18 ALA C C 13 177.082 0.000 A 18 ALA CA C 13 52.016 0.000 A 18 ALA CB C 13 19.014 0.000 A 18 ALA N N 15 128.131 0.000 A 19 LEU H H 1 8.160 0.000 A 19 LEU HA H 1 4.638 0.000 A 19 LEU HBx H 1 1.510 0.000 A 19 LEU HBy H 1 1.684 0.000 A 19 LEU HDx% H 1 0.713 0.000 A 19 LEU HDy% H 1 0.761 0.000 A 19 LEU HG H 1 1.649 0.000 A 19 LEU C C 13 177.058 0.000 A 19 LEU CA C 13 54.596 0.000 A 19 LEU CB C 13 43.832 0.000 A 19 LEU CD1 C 13 26.210 0.000 A 19 LEU CD2 C 13 24.239 0.000 A 19 LEU CG C 13 26.926 0.000 A 19 LEU N N 15 122.503 0.000 A 20 THR H H 1 9.098 0.000 A 20 THR HA H 1 4.524 0.000 A 20 THR HB H 1 4.729 0.000 A 20 THR HG2% H 1 1.302 0.000 A 20 THR C C 13 177.950 0.000 A 20 THR CA C 13 61.001 0.000 A 20 THR CB C 13 70.697 0.000 A 20 THR CG2 C 13 21.821 0.000 A 20 THR N N 15 115.199 0.000 A 21 ASP H H 1 8.962 0.000 A 21 ASP HA H 1 4.516 0.000 A 21 ASP HBy H 1 2.847 0.000 A 21 ASP HBx H 1 2.685 0.000 A 21 ASP C C 13 178.378 0.000 A 21 ASP CA C 13 57.798 0.000 A 21 ASP CB C 13 39.918 0.000 A 21 ASP N N 15 121.413 0.000 A 22 ASP H H 1 8.467 0.000 A 22 ASP HA H 1 4.556 0.000 A 22 ASP HBx H 1 2.647 0.000 A 22 ASP HBy H 1 2.824 0.000 A 22 ASP C C 13 178.869 0.000 A 22 ASP CA C 13 57.709 0.000 A 22 ASP CB C 13 40.274 0.000 A 22 ASP N N 15 117.981 0.000 A 23 GLU H H 1 7.933 0.000 A 23 GLU HA H 1 4.178 0.000 A 23 GLU HBx H 1 2.537 0.000 A 23 GLU HBy H 1 2.635 0.000 A 23 GLU HGx H 1 2.626 0.000 A 23 GLU HGy H 1 2.873 0.000 A 23 GLU C C 13 178.452 0.000 A 23 GLU CA C 13 59.667 0.000 A 23 GLU CB C 13 30.688 0.000 A 23 GLU CG C 13 37.673 0.000 A 23 GLU N N 15 120.900 0.000 A 24 TYR H H 1 8.539 0.000 A 24 TYR HA H 1 4.323 0.000 A 24 TYR HBx H 1 3.090 0.000 A 24 TYR HBy H 1 3.370 0.000 A 24 TYR HDx H 1 7.230 0.000 A 24 TYR HDy H 1 7.230 0.000 A 24 TYR HEx H 1 6.850 0.000 A 24 TYR HEy H 1 6.850 0.000 A 24 TYR C C 13 177.589 0.000 A 24 TYR CA C 13 62.498 0.000 A 24 TYR CB C 13 38.479 0.000 A 24 TYR CDx C 13 132.988 0.000 A 24 TYR CDy C 13 132.988 0.000 A 24 TYR CEx C 13 117.988 0.000 A 24 TYR CEy C 13 117.988 0.000 A 24 TYR N N 15 119.764 0.000 A 25 ASP H H 1 8.369 0.000 A 25 ASP HA H 1 4.476 0.000 A 25 ASP HBy H 1 2.976 0.000 A 25 ASP HBx H 1 2.832 0.000 A 25 ASP C C 13 179.078 0.000 A 25 ASP CA C 13 57.532 0.000 A 25 ASP CB C 13 40.181 0.000 A 25 ASP N N 15 119.296 0.000 A 26 GLU H H 1 8.356 0.000 A 26 GLU HA H 1 4.205 0.000 A 26 GLU HBy H 1 2.540 0.000 A 26 GLU HBx H 1 2.510 0.000 A 26 GLU C C 13 177.514 0.000 A 26 GLU CA C 13 59.400 0.000 A 26 GLU CB C 13 30.777 0.000 A 26 GLU N N 15 121.770 0.000 A 27 TRP H H 1 8.314 0.000 A 27 TRP HA H 1 4.178 0.000 A 27 TRP HBx H 1 2.562 0.000 A 27 TRP HBy H 1 2.567 0.000 A 27 TRP HD1 H 1 6.560 0.000 A 27 TRP HE1 H 1 9.693 0.000 A 27 TRP HE3 H 1 7.330 0.000 A 27 TRP HH2 H 1 7.170 0.000 A 27 TRP HZ2 H 1 7.420 0.000 A 27 TRP HZ3 H 1 6.960 0.000 A 27 TRP C C 13 177.873 0.000 A 27 TRP CA C 13 59.885 0.000 A 27 TRP CB C 13 30.578 0.000 A 27 TRP CD1 C 13 125.988 0.000 A 27 TRP CE3 C 13 120.988 0.000 A 27 TRP CH2 C 13 124.288 0.000 A 27 TRP CZ2 C 13 113.588 0.000 A 27 TRP CZ3 C 13 120.988 0.000 A 27 TRP N N 15 122.248 0.000 A 27 TRP NE1 N 15 129.200 0.000 A 28 ARG H H 1 7.974 0.000 A 28 ARG HA H 1 3.070 0.000 A 28 ARG HBx H 1 1.550 0.000 A 28 ARG HBy H 1 1.709 0.000 A 28 ARG HDx H 1 2.736 0.000 A 28 ARG HDy H 1 2.736 0.000 A 28 ARG HE H 1 6.850 0.000 A 28 ARG HGx H 1 1.105 0.000 A 28 ARG HGy H 1 1.430 0.000 A 28 ARG C C 13 179.775 0.000 A 28 ARG CA C 13 58.421 0.000 A 28 ARG CB C 13 29.734 0.000 A 28 ARG CD C 13 43.001 0.000 A 28 ARG CG C 13 26.867 0.000 A 28 ARG N N 15 117.274 0.000 A 28 ARG NE N 15 83.720 0.000 A 29 GLU H H 1 8.591 0.000 A 29 GLU HA H 1 4.049 0.000 A 29 GLU HBx H 1 2.315 0.000 A 29 GLU HBy H 1 2.317 0.000 A 29 GLU HGx H 1 2.433 0.000 A 29 GLU HGy H 1 2.557 0.000 A 29 GLU C C 13 178.720 0.000 A 29 GLU CA C 13 58.955 0.000 A 29 GLU CB C 13 29.511 0.000 A 29 GLU CG C 13 36.271 0.000 A 29 GLU N N 15 121.770 0.000 A 30 HIS H H 1 8.723 0.000 A 30 HIS HA H 1 3.135 0.000 A 30 HIS HBx H 1 2.604 0.000 A 30 HIS HBy H 1 2.856 0.000 A 30 HIS HD2 H 1 5.790 0.000 A 30 HIS HE1 H 1 7.350 0.000 A 30 HIS C C 13 176.308 0.000 A 30 HIS CA C 13 60.253 0.000 A 30 HIS CB C 13 27.869 0.000 A 30 HIS CD2 C 13 129.188 0.000 A 30 HIS CE1 C 13 136.288 0.000 A 30 HIS N N 15 121.863 0.000 A 31 ASN H H 1 7.405 0.000 A 31 ASN HA H 1 4.056 0.000 A 31 ASN HBx H 1 2.226 0.000 A 31 ASN HBy H 1 2.749 0.000 A 31 ASN C C 13 178.035 0.000 A 31 ASN CA C 13 55.179 0.000 A 31 ASN CB C 13 36.823 0.000 A 31 ASN N N 15 117.257 0.000 A 32 ALA H H 1 7.905 0.000 A 32 ALA HA H 1 4.065 0.000 A 32 ALA HB% H 1 1.390 0.000 A 32 ALA C C 13 180.463 0.000 A 32 ALA CA C 13 54.685 0.000 A 32 ALA CB C 13 18.213 0.000 A 32 ALA N N 15 120.650 0.000 A 33 SER H H 1 8.569 0.000 A 33 SER HA H 1 4.205 0.000 A 33 SER HBx H 1 3.996 0.000 A 33 SER HBy H 1 4.138 0.000 A 33 SER CA C 13 61.074 0.000 A 33 SER CB C 13 63.834 0.000 A 33 SER N N 15 112.890 0.000 A 34 ARG HA H 1 4.161 0.000 A 34 ARG HBx H 1 1.750 0.000 A 34 ARG HDx H 1 2.350 0.000 A 34 ARG HDy H 1 2.460 0.000 A 34 ARG HGx H 1 1.040 0.000 A 34 ARG C C 13 174.641 0.000 A 34 ARG CA C 13 56.019 0.000 A 34 ARG CD C 13 43.500 0.000 A 34 ARG CG C 13 26.700 0.000 A 35 LYS H H 1 7.492 0.000 A 35 LYS HA H 1 3.888 0.000 A 35 LYS HBx H 1 1.795 0.000 A 35 LYS HBy H 1 2.024 0.000 A 35 LYS HDx H 1 1.670 0.000 A 35 LYS HDy H 1 1.670 0.000 A 35 LYS HEx H 1 2.977 0.000 A 35 LYS HEy H 1 2.977 0.000 A 35 LYS HGx H 1 1.315 0.000 A 35 LYS HGy H 1 1.315 0.000 A 35 LYS C C 13 175.501 0.000 A 35 LYS CA C 13 57.087 0.000 A 35 LYS CB C 13 28.710 0.000 A 35 LYS CD C 13 29.866 0.000 A 35 LYS CE C 13 42.486 0.000 A 35 LYS CG C 13 24.909 0.000 A 35 LYS N N 15 117.509 0.000 A 36 LEU H H 1 8.165 0.000 A 36 LEU HA H 1 4.595 0.000 A 36 LEU HBx H 1 1.390 0.000 A 36 LEU HBy H 1 1.410 0.000 A 36 LEU HDx% H 1 0.817 0.000 A 36 LEU HDy% H 1 0.646 0.000 A 36 LEU HG H 1 1.328 0.000 A 36 LEU C C 13 175.281 0.000 A 36 LEU CA C 13 52.791 0.000 A 36 LEU CB C 13 46.374 0.000 A 36 LEU CD1 C 13 22.538 0.000 A 36 LEU CD2 C 13 25.700 0.000 A 36 LEU CG C 13 26.150 0.000 A 36 LEU N N 15 118.727 0.000 A 37 ASP H H 1 8.403 0.000 A 37 ASP HA H 1 4.740 0.000 A 37 ASP HBx H 1 2.333 0.000 A 37 ASP HBy H 1 2.574 0.000 A 37 ASP C C 13 175.921 0.000 A 37 ASP CA C 13 52.791 0.000 A 37 ASP CB C 13 41.300 0.000 A 37 ASP N N 15 121.035 0.000 A 38 LEU H H 1 7.515 0.000 A 38 LEU HA H 1 4.661 0.000 A 38 LEU HBy H 1 2.045 0.000 A 38 LEU HBx H 1 1.945 0.000 A 38 LEU HDx% H 1 1.049 0.000 A 38 LEU HDy% H 1 1.016 0.000 A 38 LEU HG H 1 1.107 0.000 A 38 LEU C C 13 180.209 0.000 A 38 LEU CA C 13 55.308 0.000 A 38 LEU CB C 13 43.210 0.000 A 38 LEU CD1 C 13 23.132 0.000 A 38 LEU CD2 C 13 22.585 0.000 A 38 LEU CG C 13 26.657 0.000 A 38 LEU N N 15 119.070 0.000 A 39 SER H H 1 9.706 0.000 A 39 SER HA H 1 4.663 0.000 A 39 SER HBx H 1 4.191 0.000 A 39 SER HBy H 1 4.433 0.000 A 39 SER C C 13 174.730 0.000 A 39 SER CA C 13 57.343 0.000 A 39 SER CB C 13 64.879 0.000 A 39 SER N N 15 122.093 0.000 A 40 VAL H H 1 8.742 0.000 A 40 VAL HA H 1 2.668 0.000 A 40 VAL HB H 1 0.886 0.000 A 40 VAL HGx% H 1 0.428 0.000 A 40 VAL HGy% H 1 -0.113 0.000 A 40 VAL C C 13 177.187 0.000 A 40 VAL CA C 13 66.372 0.000 A 40 VAL CB C 13 30.853 0.000 A 40 VAL CG1 C 13 21.108 0.000 A 40 VAL CG2 C 13 21.194 0.000 A 40 VAL N N 15 122.917 0.000 A 41 GLU H H 1 8.725 0.000 A 41 GLU HA H 1 3.815 0.000 A 41 GLU HBx H 1 1.852 0.000 A 41 GLU HBy H 1 1.954 0.000 A 41 GLU HGx H 1 2.142 0.000 A 41 GLU HGy H 1 2.375 0.000 A 41 GLU C C 13 179.108 0.000 A 41 GLU CA C 13 60.734 0.000 A 41 GLU CB C 13 28.888 0.000 A 41 GLU CG C 13 36.957 0.000 A 41 GLU N N 15 118.661 0.000 A 42 ASP H H 1 7.979 0.000 A 42 ASP HA H 1 4.424 0.000 A 42 ASP HBx H 1 2.623 0.000 A 42 ASP HBy H 1 2.891 0.000 A 42 ASP C C 13 179.703 0.000 A 42 ASP CA C 13 57.443 0.000 A 42 ASP CB C 13 40.007 0.000 A 42 ASP N N 15 120.291 0.000 A 43 PHE H H 1 8.656 0.000 A 43 PHE HA H 1 4.010 0.000 A 43 PHE HBx H 1 3.301 0.000 A 43 PHE HBy H 1 3.317 0.000 A 43 PHE HDx H 1 6.890 0.000 A 43 PHE HDy H 1 6.890 0.000 A 43 PHE HEx H 1 7.240 0.000 A 43 PHE HEy H 1 7.240 0.000 A 43 PHE HZ H 1 7.680 0.000 A 43 PHE C C 13 175.459 0.000 A 43 PHE CA C 13 61.148 0.000 A 43 PHE CB C 13 39.733 0.000 A 43 PHE CDx C 13 132.788 0.000 A 43 PHE CDy C 13 132.788 0.000 A 43 PHE CEx C 13 131.088 0.000 A 43 PHE CEy C 13 131.088 0.000 A 43 PHE CZ C 13 130.188 0.000 A 43 PHE N N 15 123.091 0.000 A 44 LEU H H 1 8.702 0.000 A 44 LEU HA H 1 3.430 0.000 A 44 LEU HBx H 1 1.218 0.000 A 44 LEU HBy H 1 1.781 0.000 A 44 LEU HDx% H 1 0.731 0.000 A 44 LEU HDy% H 1 0.772 0.000 A 44 LEU HG H 1 1.887 0.000 A 44 LEU C C 13 180.537 0.000 A 44 LEU CA C 13 57.716 0.000 A 44 LEU CB C 13 41.225 0.000 A 44 LEU CD1 C 13 26.120 0.000 A 44 LEU CD2 C 13 21.911 0.000 A 44 LEU CG C 13 26.487 0.000 A 44 LEU N N 15 119.965 0.000 A 45 MET H H 1 7.829 0.000 A 45 MET HA H 1 4.117 0.000 A 45 MET HBx H 1 2.082 0.000 A 45 MET HBy H 1 2.082 0.000 A 45 MET HGx H 1 2.501 0.000 A 45 MET HGy H 1 2.654 0.000 A 45 MET C C 13 178.274 0.000 A 45 MET CA C 13 58.421 0.000 A 45 MET CB C 13 32.268 0.000 A 45 MET CG C 13 32.446 0.000 A 45 MET N N 15 118.100 0.000 A 46 LEU H H 1 7.659 0.000 A 46 LEU HA H 1 3.842 0.000 A 46 LEU HBx H 1 1.358 0.000 A 46 LEU HBy H 1 1.567 0.000 A 46 LEU HDx% H 1 0.837 0.000 A 46 LEU HDy% H 1 0.712 0.000 A 46 LEU HG H 1 1.128 0.000 A 46 LEU C C 13 176.531 0.000 A 46 LEU CA C 13 57.618 0.000 A 46 LEU CB C 13 41.793 0.000 A 46 LEU CD1 C 13 26.568 0.000 A 46 LEU CD2 C 13 22.200 0.000 A 46 LEU CG C 13 26.745 0.000 A 46 LEU N N 15 123.359 0.000 A 47 ARG H H 1 7.955 0.000 A 47 ARG HA H 1 2.751 0.000 A 47 ARG HBx H 1 0.733 0.000 A 47 ARG HBy H 1 1.103 0.000 A 47 ARG HDx H 1 2.774 0.000 A 47 ARG HDy H 1 2.774 0.000 A 47 ARG HE H 1 7.901 0.000 A 47 ARG HGx H 1 1.153 0.000 A 47 ARG HGy H 1 1.198 0.000 A 47 ARG C C 13 178.363 0.000 A 47 ARG CA C 13 58.004 0.000 A 47 ARG CB C 13 30.107 0.000 A 47 ARG CD C 13 44.211 0.000 A 47 ARG CG C 13 26.478 0.000 A 47 ARG N N 15 118.271 0.000 A 47 ARG NE N 15 84.584 0.000 A 48 HIS H H 1 7.609 0.000 A 48 HIS HA H 1 4.225 0.000 A 48 HIS HBx H 1 3.119 0.000 A 48 HIS HBy H 1 3.119 0.000 A 48 HIS HD2 H 1 6.970 0.000 A 48 HIS HE2 H 1 7.850 0.000 A 48 HIS C C 13 177.097 0.000 A 48 HIS CA C 13 59.311 0.000 A 48 HIS CB C 13 30.578 0.000 A 48 HIS CD2 C 13 119.188 0.000 A 48 HIS CE1 C 13 137.988 0.000 A 48 HIS N N 15 117.915 0.000 A 49 ARG H H 1 7.980 0.000 A 49 ARG HA H 1 3.978 0.000 A 49 ARG HBx H 1 1.720 0.000 A 49 ARG HBy H 1 1.881 0.000 A 49 ARG HDx H 1 2.978 0.000 A 49 ARG HDy H 1 3.266 0.000 A 49 ARG HE H 1 8.520 0.000 A 49 ARG HGx H 1 1.463 0.000 A 49 ARG HGy H 1 1.868 0.000 A 49 ARG C C 13 179.242 0.000 A 49 ARG CA C 13 59.059 0.000 A 49 ARG CB C 13 28.690 0.000 A 49 ARG CD C 13 42.689 0.000 A 49 ARG CG C 13 28.180 0.000 A 49 ARG N N 15 116.831 0.000 A 49 ARG NE N 15 85.017 0.000 A 50 ALA H H 1 8.734 0.000 A 50 ALA HA H 1 3.980 0.000 A 50 ALA HB% H 1 1.498 0.000 A 50 ALA C C 13 181.207 0.000 A 50 ALA CA C 13 55.041 0.000 A 50 ALA CB C 13 19.192 0.000 A 50 ALA N N 15 122.916 0.000 A 51 ALA H H 1 7.861 0.000 A 51 ALA HA H 1 4.113 0.000 A 51 ALA HB% H 1 1.400 0.000 A 51 ALA C C 13 179.033 0.000 A 51 ALA CA C 13 54.582 0.000 A 51 ALA CB C 13 18.019 0.000 A 51 ALA N N 15 122.005 0.000 A 52 LEU H H 1 7.277 0.000 A 52 LEU HA H 1 4.258 0.000 A 52 LEU HBx H 1 1.610 0.000 A 52 LEU HBy H 1 1.623 0.000 A 52 LEU HDx% H 1 0.580 0.000 A 52 LEU HDy% H 1 0.703 0.000 A 52 LEU HG H 1 1.477 0.000 A 52 LEU C C 13 177.842 0.000 A 52 LEU CA C 13 54.623 0.000 A 52 LEU CB C 13 41.609 0.000 A 52 LEU CD1 C 13 24.956 0.000 A 52 LEU CD2 C 13 22.538 0.000 A 52 LEU CG C 13 26.478 0.000 A 52 LEU N N 15 117.205 0.000 A 53 GLY H H 1 7.616 0.000 A 53 GLY HAx H 1 3.662 0.000 A 53 GLY HAy H 1 4.168 0.000 A 53 GLY C C 13 174.745 0.000 A 53 GLY CA C 13 45.523 0.000 A 53 GLY N N 15 105.824 0.000 A 54 ALA H H 1 7.637 0.000 A 54 ALA HA H 1 4.227 0.000 A 54 ALA HB% H 1 1.306 0.000 A 54 ALA C C 13 178.035 0.000 A 54 ALA CA C 13 53.440 0.000 A 54 ALA CB C 13 19.725 0.000 A 54 ALA N N 15 122.086 0.000 A 55 ASP H H 1 8.540 0.000 A 55 ASP HA H 1 4.746 0.000 A 55 ASP HBx H 1 2.622 0.000 A 55 ASP HBy H 1 2.836 0.000 A 55 ASP C C 13 176.129 0.000 A 55 ASP CA C 13 52.995 0.000 A 55 ASP CB C 13 41.342 0.000 A 55 ASP N N 15 118.303 0.000 A 56 ASP H H 1 7.469 0.000 A 56 ASP HA H 1 4.613 0.000 A 56 ASP HBx H 1 2.695 0.000 A 56 ASP HBy H 1 2.889 0.000 A 56 ASP C C 13 175.638 0.000 A 56 ASP CA C 13 53.529 0.000 A 56 ASP CB C 13 42.053 0.000 A 56 ASP N N 15 116.381 0.000 A 57 ASN H H 1 9.033 0.000 A 57 ASN HA H 1 4.331 0.000 A 57 ASN HBx H 1 2.794 0.000 A 57 ASN HBy H 1 2.892 0.000 A 57 ASN HD2y H 1 7.855 0.000 A 57 ASN HD2x H 1 7.112 0.000 A 57 ASN C C 13 176.963 0.000 A 57 ASN CA C 13 57.354 0.000 A 57 ASN CB C 13 39.296 0.000 A 57 ASN N N 15 118.913 0.000 A 57 ASN ND2 N 15 113.940 0.000 A 58 ASP H H 1 8.519 0.000 A 58 ASP HA H 1 4.485 0.000 A 58 ASP HBx H 1 2.526 0.000 A 58 ASP HBy H 1 2.615 0.000 A 58 ASP C C 13 178.944 0.000 A 58 ASP CA C 13 57.621 0.000 A 58 ASP CB C 13 40.007 0.000 A 58 ASP N N 15 117.610 0.000 A 59 ALA H H 1 8.067 0.000 A 59 ALA HA H 1 3.978 0.000 A 59 ALA HB% H 1 1.303 0.000 A 59 ALA C C 13 178.974 0.000 A 59 ALA CA C 13 55.752 0.000 A 59 ALA CB C 13 19.103 0.000 A 59 ALA N N 15 126.800 0.000 A 60 VAL H H 1 8.370 0.000 A 60 VAL HA H 1 3.589 0.000 A 60 VAL HB H 1 2.204 0.000 A 60 VAL HGx% H 1 1.002 0.000 A 60 VAL HGy% H 1 0.984 0.000 A 60 VAL C C 13 179.934 0.000 A 60 VAL CA C 13 66.745 0.000 A 60 VAL CB C 13 32.121 0.000 A 60 VAL CG1 C 13 22.717 0.000 A 60 VAL CG2 C 13 21.015 0.000 A 60 VAL N N 15 119.673 0.000 A 61 LYS H H 1 8.383 0.000 A 61 LYS HA H 1 4.202 0.000 A 61 LYS HBx H 1 1.893 0.000 A 61 LYS HBy H 1 2.059 0.000 A 61 LYS HDx H 1 1.725 0.000 A 61 LYS HDy H 1 1.725 0.000 A 61 LYS HEx H 1 3.010 0.000 A 61 LYS HEy H 1 3.010 0.000 A 61 LYS HGx H 1 1.594 0.000 A 61 LYS HGy H 1 1.786 0.000 A 61 LYS C C 13 180.135 0.000 A 61 LYS CA C 13 59.437 0.000 A 61 LYS CB C 13 32.357 0.000 A 61 LYS CD C 13 29.105 0.000 A 61 LYS CE C 13 42.241 0.000 A 61 LYS CG C 13 25.862 0.000 A 61 LYS N N 15 119.673 0.000 A 62 PHE H H 1 8.510 0.000 A 62 PHE HA H 1 4.334 0.000 A 62 PHE HBx H 1 3.200 0.000 A 62 PHE HBy H 1 3.200 0.000 A 62 PHE HDx H 1 7.000 0.000 A 62 PHE HDy H 1 7.000 0.000 A 62 PHE HEx H 1 7.140 0.000 A 62 PHE HEy H 1 7.140 0.000 A 62 PHE C C 13 177.038 0.000 A 62 PHE CA C 13 62.691 0.000 A 62 PHE CB C 13 39.207 0.000 A 62 PHE CDx C 13 131.088 0.000 A 62 PHE CDy C 13 131.088 0.000 A 62 PHE CEx C 13 129.288 0.000 A 62 PHE CEy C 13 129.288 0.000 A 62 PHE N N 15 122.324 0.000 A 63 ARG H H 1 8.724 0.000 A 63 ARG HA H 1 4.074 0.000 A 63 ARG HBx H 1 1.980 0.000 A 63 ARG HBy H 1 2.164 0.000 A 63 ARG HDx H 1 3.269 0.000 A 63 ARG HDy H 1 3.567 0.000 A 63 ARG HE H 1 7.650 0.000 A 63 ARG HGx H 1 1.631 0.000 A 63 ARG HGy H 1 2.062 0.000 A 63 ARG C C 13 178.586 0.000 A 63 ARG CA C 13 61.179 0.000 A 63 ARG CB C 13 30.756 0.000 A 63 ARG CD C 13 43.764 0.000 A 63 ARG CG C 13 29.434 0.000 A 63 ARG N N 15 119.741 0.000 A 63 ARG NE N 15 83.817 0.000 A 64 SER H H 1 8.224 0.000 A 64 SER HA H 1 4.324 0.000 A 64 SER HBx H 1 4.024 0.000 A 64 SER HBy H 1 4.024 0.000 A 64 SER C C 13 177.297 0.000 A 64 SER CA C 13 61.550 0.000 A 64 SER CB C 13 62.316 0.000 A 64 SER N N 15 113.962 0.000 A 65 TRP H H 1 8.054 0.000 A 65 TRP HA H 1 4.153 0.000 A 65 TRP HBx H 1 3.301 0.000 A 65 TRP HBy H 1 3.591 0.000 A 65 TRP HD1 H 1 7.344 0.000 A 65 TRP HE1 H 1 10.220 0.000 A 65 TRP HE3 H 1 7.120 0.000 A 65 TRP HH2 H 1 7.390 0.000 A 65 TRP HZ2 H 1 7.310 0.000 A 65 TRP HZ3 H 1 7.270 0.000 A 65 TRP C C 13 178.318 0.000 A 65 TRP CA C 13 61.712 0.000 A 65 TRP CB C 13 27.287 0.000 A 65 TRP CD1 C 13 128.088 0.000 A 65 TRP CE3 C 13 120.988 0.000 A 65 TRP CH2 C 13 124.288 0.000 A 65 TRP CZ2 C 13 113.888 0.000 A 65 TRP CZ3 C 13 122.088 0.000 A 65 TRP N N 15 123.490 0.000 A 65 TRP NE1 N 15 130.800 0.000 A 66 TRP H H 1 9.333 0.000 A 66 TRP HA H 1 3.088 0.000 A 66 TRP HBy H 1 3.166 0.000 A 66 TRP HBx H 1 2.901 0.000 A 66 TRP HD1 H 1 7.190 0.000 A 66 TRP HE1 H 1 10.310 0.000 A 66 TRP HE3 H 1 7.490 0.000 A 66 TRP HH2 H 1 7.310 0.000 A 66 TRP HZ2 H 1 7.500 0.000 A 66 TRP HZ3 H 1 7.180 0.000 A 66 TRP C C 13 178.959 0.000 A 66 TRP CA C 13 60.253 0.000 A 66 TRP CB C 13 29.510 0.000 A 66 TRP CD1 C 13 126.488 0.000 A 66 TRP CE3 C 13 120.588 0.000 A 66 TRP CH2 C 13 124.788 0.000 A 66 TRP CZ2 C 13 114.988 0.000 A 66 TRP CZ3 C 13 121.588 0.000 A 66 TRP N N 15 122.351 0.000 A 66 TRP NE1 N 15 130.100 0.000 A 67 ASN H H 1 8.586 0.000 A 67 ASN HA H 1 4.376 0.000 A 67 ASN HBx H 1 2.867 0.000 A 67 ASN HBy H 1 2.867 0.000 A 67 ASN HD2y H 1 7.660 0.000 A 67 ASN HD2x H 1 7.151 0.000 A 67 ASN C C 13 176.591 0.000 A 67 ASN CA C 13 55.308 0.000 A 67 ASN CB C 13 38.495 0.000 A 67 ASN N N 15 115.529 0.000 A 67 ASN ND2 N 15 112.770 0.000 A 68 SER H H 1 7.600 0.000 A 68 SER HA H 1 4.332 0.000 A 68 SER HBx H 1 3.909 0.000 A 68 SER HBy H 1 3.909 0.000 A 68 SER C C 13 174.581 0.000 A 68 SER CA C 13 59.578 0.000 A 68 SER CB C 13 63.670 0.000 A 68 SER N N 15 114.677 0.000 A 69 ARG H H 1 6.992 0.000 A 69 ARG HA H 1 3.879 0.000 A 69 ARG HBx H 1 1.101 0.000 A 69 ARG HBy H 1 1.326 0.000 A 69 ARG HDx H 1 1.920 0.000 A 69 ARG HDy H 1 1.947 0.000 A 69 ARG HE H 1 7.220 0.000 A 69 ARG HGx H 1 0.903 0.000 A 69 ARG HGy H 1 0.938 0.000 A 69 ARG C C 13 176.963 0.000 A 69 ARG CA C 13 57.087 0.000 A 69 ARG CB C 13 29.955 0.000 A 69 ARG CD C 13 42.599 0.000 A 69 ARG CG C 13 26.030 0.000 A 69 ARG N N 15 121.618 0.000 A 69 ARG NE N 15 84.584 0.000 A 70 THR H H 1 7.860 0.000 A 70 THR HA H 1 4.030 0.000 A 70 THR HB H 1 3.995 0.000 A 70 THR HG2% H 1 0.962 0.000 A 70 THR C C 13 174.506 0.000 A 70 THR CA C 13 62.513 0.000 A 70 THR CB C 13 69.378 0.000 A 70 THR CG2 C 13 21.373 0.000 A 70 THR N N 15 114.140 0.000 A 71 LYS H H 1 8.051 0.000 A 71 LYS HA H 1 4.187 0.000 A 71 LYS HBx H 1 1.691 0.000 A 71 LYS HBy H 1 1.757 0.000 A 71 LYS HDx H 1 1.574 0.000 A 71 LYS HDy H 1 1.574 0.000 A 71 LYS HEx H 1 2.890 0.000 A 71 LYS HEy H 1 2.890 0.000 A 71 LYS HGx H 1 1.315 0.000 A 71 LYS HGy H 1 1.315 0.000 A 71 LYS C C 13 176.531 0.000 A 71 LYS CA C 13 56.286 0.000 A 71 LYS CB C 13 32.624 0.000 A 71 LYS CD C 13 28.986 0.000 A 71 LYS CE C 13 42.151 0.000 A 71 LYS CG C 13 24.687 0.000 A 71 LYS N N 15 123.490 0.000 A 72 MET H H 1 8.305 0.000 A 72 MET HA H 1 4.376 0.000 A 72 MET HBx H 1 1.951 0.000 A 72 MET HBy H 1 2.022 0.000 A 72 MET HGx H 1 2.458 0.000 A 72 MET HGy H 1 2.540 0.000 A 72 MET C C 13 176.115 0.000 A 72 MET CA C 13 55.397 0.000 A 72 MET CB C 13 32.446 0.000 A 72 MET CG C 13 32.121 0.000 A 72 MET N N 15 121.388 0.000 A 73 ALA H H 1 8.272 0.000 A 73 ALA HA H 1 4.229 0.000 A 73 ALA HB% H 1 1.366 0.000 A 73 ALA C C 13 177.499 0.000 A 73 ALA CA C 13 52.639 0.000 A 73 ALA CB C 13 19.103 0.000 A 73 ALA N N 15 124.890 0.000 A 74 ASN H H 1 8.408 0.000 A 74 ASN HA H 1 4.630 0.000 A 74 ASN HBx H 1 2.677 0.000 A 74 ASN HBy H 1 2.677 0.000 A 74 ASN HD2y H 1 7.645 0.000 A 74 ASN HD2x H 1 6.947 0.000 A 74 ASN C C 13 174.893 0.000 A 74 ASN CA C 13 53.084 0.000 A 74 ASN CB C 13 39.118 0.000 A 74 ASN N N 15 117.940 0.000 A 74 ASN ND2 N 15 113.160 0.000 A 75 ASP H H 1 8.298 0.000 A 75 ASP HA H 1 4.542 0.000 A 75 ASP HBx H 1 2.553 0.000 A 75 ASP HBy H 1 2.744 0.000 A 75 ASP C C 13 175.861 0.000 A 75 ASP CA C 13 54.240 0.000 A 75 ASP CB C 13 41.075 0.000 A 75 ASP N N 15 120.439 0.000 A 76 TYR H H 1 8.040 0.000 A 76 TYR HA H 1 4.513 0.000 A 76 TYR HBx H 1 2.970 0.000 A 76 TYR HBy H 1 3.050 0.000 A 76 TYR HDx H 1 7.080 0.000 A 76 TYR HDy H 1 7.080 0.000 A 76 TYR HEx H 1 6.800 0.000 A 76 TYR HEy H 1 6.800 0.000 A 76 TYR C C 13 175.608 0.000 A 76 TYR CA C 13 57.887 0.000 A 76 TYR CB C 13 38.584 0.000 A 76 TYR CDx C 13 132.988 0.000 A 76 TYR CDy C 13 132.988 0.000 A 76 TYR CEx C 13 117.988 0.000 A 76 TYR CEy C 13 117.988 0.000 A 76 TYR N N 15 119.772 0.000 A 77 GLU H H 1 8.194 0.000 A 77 GLU HA H 1 4.242 0.000 A 77 GLU HBx H 1 1.849 0.000 A 77 GLU HBy H 1 1.981 0.000 A 77 GLU HGx H 1 2.174 0.000 A 77 GLU HGy H 1 2.197 0.000 A 77 GLU C C 13 175.698 0.000 A 77 GLU CA C 13 56.108 0.000 A 77 GLU CB C 13 30.667 0.000 A 77 GLU CG C 13 36.240 0.000 A 77 GLU N N 15 121.978 0.000 A 78 ASP H H 1 8.419 0.000 A 78 ASP HA H 1 4.634 0.000 A 78 ASP HBx H 1 2.561 0.000 A 78 ASP HBy H 1 2.744 0.000 A 78 ASP C C 13 175.117 0.000 A 78 ASP CA C 13 54.329 0.000 A 78 ASP CB C 13 41.164 0.000 A 78 ASP N N 15 122.746 0.000 A 79 VAL H H 1 7.713 0.000 A 79 VAL HA H 1 4.033 0.000 A 79 VAL HB H 1 2.072 0.000 A 79 VAL HGx% H 1 0.872 0.000 A 79 VAL HGy% H 1 0.854 0.000 A 79 VAL C C 13 181.252 0.000 A 79 VAL CA C 13 63.387 0.000 A 79 VAL CB C 13 33.092 0.000 A 79 VAL CG1 C 13 21.821 0.000 A 79 VAL CG2 C 13 20.030 0.000 A 79 VAL N N 15 124.050 0.000 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 75 ASP HBx A 75 ASP HA 1.0 1.536 2.608 2 2 A 21 ASP HBy A 21 ASP HA 1.0 1.594 2.800 3 3 A 74 ASN HA A 74 ASN HBy 1.0 1.596 2.806 4 3 A 74 ASN HBx A 74 ASN HA 1.0 1.596 2.806 5 4 A 24 TYR HBy A 24 TYR HEy 1.0 1.929 4.559 6 4 A 24 TYR HBy A 24 TYR HEx 1.0 1.929 4.559 7 5 A 24 TYR HBy A 24 TYR HBx 1.0 1.769 3.511 8 6 A 76 TYR HBy A 76 TYR HDy 1.0 1.542 2.630 9 6 A 76 TYR HBy A 76 TYR HDx 1.0 1.542 2.630 10 7 A 76 TYR HDy A 76 TYR HBx 1.0 1.547 2.645 11 7 A 76 TYR HDx A 76 TYR HBx 1.0 1.547 2.645 12 8 A 12 TYR HEx A 12 TYR HBy 1.0 1.844 3.924 13 8 A 12 TYR HEy A 12 TYR HBy 1.0 1.844 3.924 14 8 A 12 TYR HBx A 12 TYR HEy 1.0 1.844 3.924 15 8 A 12 TYR HBx A 12 TYR HEx 1.0 1.844 3.924 16 9 A 43 PHE HBy A 43 PHE HA 1.0 1.894 4.270 17 10 A 57 ASN HBx A 57 ASN HA 1.0 1.591 2.791 18 11 A 23 GLU HGy A 23 GLU HA 1.0 1.739 3.373 19 12 A 23 GLU HGy A 43 PHE HEy 1.0 1.852 3.972 20 12 A 23 GLU HGy A 43 PHE HEx 1.0 1.852 3.972 21 13 A 23 GLU HGy A 43 PHE HZ 1.0 1.940 4.672 22 14 A 41 GLU HGy A 39 SER HBy 1.0 1.962 4.934 23 15 A 41 GLU HGy A 41 GLU HA 1.0 1.735 3.351 24 16 A 41 GLU HGy A 17 VAL HGy% 1.0 1.820 3.778 25 16 A 41 GLU HGy A 17 VAL HGx% 1.0 1.820 3.778 26 17 A 41 GLU HGx A 40 VAL HGx% 1.0 1.954 4.842 27 18 A 41 GLU HGy A 40 VAL HGx% 1.0 1.952 4.812 28 19 A 29 GLU HGx A 32 ALA HB% 1.0 1.896 4.276 29 20 A 32 ALA HB% A 31 ASN HBy 1.0 1.951 4.787 30 21 A 57 ASN HBx A 60 VAL HGy% 1.0 1.776 3.546 31 22 A 57 ASN HBx A 61 LYS HDy 1.0 1.877 4.139 32 22 A 57 ASN HBx A 61 LYS HDx 1.0 1.877 4.139 33 23 A 12 TYR HBy A 17 VAL HB 1.0 1.899 4.307 34 23 A 12 TYR HBx A 17 VAL HB 1.0 1.899 4.307 35 24 A 12 TYR HBy A 15 ARG HGy 1.0 1.878 4.144 36 24 A 12 TYR HBx A 15 ARG HGy 1.0 1.878 4.144 37 25 A 62 PHE HA A 62 PHE HBy 1.0 1.853 3.981 38 25 A 62 PHE HBx A 62 PHE HA 1.0 1.853 3.981 39 26 A 58 ASP HBx A 46 LEU HDy% 1.0 1.797 3.655 40 27 A 76 TYR HBy A 73 ALA HB% 1.0 1.902 4.326 41 28 A 76 TYR HBx A 73 ALA HB% 1.0 1.908 4.376 42 29 A 24 TYR HBy A 19 LEU HBy 1.0 1.947 4.755 43 30 A 24 TYR HBx A 19 LEU HBy 1.0 1.956 4.862 44 31 A 29 GLU HGx A 30 HIS HA 1.0 1.977 5.161 45 32 A 17 VAL HB A 17 VAL HA 1.0 1.646 2.988 46 33 A 72 MET HBx A 72 MET HGy 1.0 1.601 2.825 47 34 A 72 MET HBx A 72 MET HA 1.0 1.588 2.778 48 35 A 23 GLU HGy A 72 MET HBx 1.0 1.846 3.934 49 36 A 48 HIS HD2 A 48 HIS HBy 1.0 1.737 3.361 50 36 A 48 HIS HBx A 48 HIS HD2 1.0 1.737 3.361 51 37 A 48 HIS HBy A 48 HIS HE2 1.0 1.937 4.641 52 37 A 48 HIS HBx A 48 HIS HE2 1.0 1.937 4.641 53 38 A 66 TRP HBx A 66 TRP HBy 1.0 1.766 3.496 54 39 A 66 TRP HBx A 63 ARG HA 1.0 1.899 4.303 55 40 A 66 TRP HBx A 62 PHE HDy 1.0 1.966 4.990 56 40 A 66 TRP HBx A 62 PHE HDx 1.0 1.966 4.990 57 41 A 65 TRP HBx A 65 TRP HBy 1.0 1.758 3.462 58 42 A 62 PHE HA A 65 TRP HBy 1.0 1.930 4.572 59 43 A 30 HIS HBx A 27 TRP HD1 1.0 1.971 5.061 60 44 A 43 PHE HEy A 30 HIS HBx 1.0 1.893 4.251 61 44 A 43 PHE HEx A 30 HIS HBx 1.0 1.893 4.251 62 45 A 30 HIS HBx A 36 LEU HDx% 1.0 1.974 5.116 63 46 A 30 HIS HBx A 30 HIS HBy 1.0 1.802 3.684 64 47 A 43 PHE HEy A 30 HIS HBy 1.0 1.952 4.812 65 47 A 43 PHE HEx A 30 HIS HBy 1.0 1.952 4.812 66 48 A 72 MET HGx A 70 THR HG2% 1.0 1.962 4.936 67 49 A 72 MET HGy A 66 TRP HBy 1.0 1.974 5.102 68 50 A 45 MET HGy A 13 ARG HDy 1.0 1.973 5.105 69 50 A 45 MET HGy A 13 ARG HDx 1.0 1.973 5.105 70 51 A 41 GLU HA A 45 MET HGy 1.0 1.957 4.861 71 52 A 45 MET HGy A 42 ASP HA 1.0 1.884 4.190 72 53 A 60 VAL HB A 60 VAL HA 1.0 1.748 3.410 73 54 A 60 VAL HB A 61 LYS HGy 1.0 1.921 4.489 74 55 A 72 MET HGx A 72 MET HBy 1.0 1.567 2.709 75 56 A 45 MET HGy A 45 MET HBy 1.0 1.604 2.836 76 56 A 45 MET HGy A 45 MET HBx 1.0 1.604 2.836 77 57 A 63 ARG HBx A 63 ARG HDx 1.0 1.858 4.008 78 58 A 63 ARG HA A 63 ARG HGy 1.0 1.833 3.855 79 59 A 63 ARG HDx A 63 ARG HGy 1.0 1.848 3.946 80 60 A 30 HIS HA A 29 GLU HBx 1.0 1.957 4.881 81 61 A 23 GLU HGy A 23 GLU HBy 1.0 1.716 3.268 82 62 A 15 ARG HBy A 15 ARG HDy 1.0 1.535 2.609 83 62 A 15 ARG HBy A 15 ARG HDx 1.0 1.535 2.609 84 63 A 13 ARG HDy A 13 ARG HBy 1.0 1.559 2.683 85 63 A 13 ARG HDx A 13 ARG HBy 1.0 1.559 2.683 86 64 A 17 VAL HGx% A 13 ARG HBy 1.0 1.802 3.682 87 64 A 17 VAL HGy% A 13 ARG HBy 1.0 1.802 3.682 88 65 A 63 ARG HDx A 63 ARG HGx 1.0 1.824 3.804 89 66 A 63 ARG HGx A 63 ARG HDy 1.0 1.812 3.738 90 67 A 63 ARG HGy A 63 ARG HGx 1.0 1.659 3.037 91 68 A 28 ARG HBx A 28 ARG HDy 1.0 1.751 3.427 92 68 A 28 ARG HBx A 28 ARG HDx 1.0 1.751 3.427 93 69 A 28 ARG HBx A 28 ARG HGx 1.0 1.764 3.484 94 70 A 17 VAL HB A 40 VAL HGy% 1.0 1.955 4.849 95 71 A 71 LYS HBy A 67 ASN HA 1.0 1.861 4.031 96 72 A 71 LYS HBx A 71 LYS HEy 1.0 1.847 3.941 97 72 A 71 LYS HBx A 71 LYS HEx 1.0 1.847 3.941 98 73 A 71 LYS HBy A 71 LYS HGy 1.0 1.540 2.622 99 73 A 71 LYS HBy A 71 LYS HGx 1.0 1.540 2.622 100 74 A 71 LYS HBx A 71 LYS HGy 1.0 1.542 2.630 101 74 A 71 LYS HBx A 71 LYS HGx 1.0 1.542 2.630 102 75 A 72 MET HGy A 71 LYS HBy 1.0 1.920 4.476 103 76 A 72 MET HGy A 71 LYS HBx 1.0 1.926 4.536 104 77 A 40 VAL HGx% A 17 VAL HB 1.0 1.961 4.931 105 78 A 71 LYS HBx A 70 THR HB 1.0 1.966 4.990 106 79 A 49 ARG HGy A 49 ARG HDx 1.0 1.736 3.358 107 80 A 49 ARG HGy A 49 ARG HGx 1.0 1.618 2.884 108 81 A 41 GLU HGy A 41 GLU HBy 1.0 1.654 3.018 109 82 A 41 GLU HGy A 41 GLU HBx 1.0 1.658 3.034 110 83 A 41 GLU HA A 41 GLU HBy 1.0 1.690 3.160 111 84 A 35 LYS HBy A 35 LYS HDy 1.0 1.776 3.546 112 84 A 35 LYS HBy A 35 LYS HDx 1.0 1.776 3.546 113 85 A 13 ARG HBx A 13 ARG HA 1.0 1.692 3.168 114 86 A 17 VAL HGy% A 13 ARG HBx 1.0 1.851 3.965 115 86 A 17 VAL HGx% A 13 ARG HBx 1.0 1.851 3.965 116 87 A 35 LYS HDy A 35 LYS HA 1.0 1.695 3.181 117 87 A 35 LYS HDx A 35 LYS HA 1.0 1.695 3.181 118 88 A 69 ARG HBy A 69 ARG HA 1.0 1.702 3.210 119 89 A 69 ARG HBy A 69 ARG HBx 1.0 1.634 2.942 120 90 A 69 ARG HBy A 69 ARG HGy 1.0 1.698 3.192 121 91 A 69 ARG HBy A 66 TRP HA 1.0 1.934 4.620 122 92 A 47 ARG HBy A 44 LEU HA 1.0 1.902 4.328 123 93 A 62 PHE HDy A 47 ARG HBx 1.0 1.919 4.471 124 93 A 62 PHE HDx A 47 ARG HBx 1.0 1.919 4.471 125 94 A 47 ARG HBx A 47 ARG HA 1.0 1.696 3.184 126 95 A 47 ARG HBx A 47 ARG HGx 1.0 1.692 3.168 127 96 A 40 VAL HB A 39 SER HBx 1.0 1.953 4.825 128 97 A 40 VAL HGx% A 40 VAL HB 1.0 1.840 3.898 129 98 A 28 ARG HBy A 27 TRP HE3 1.0 1.971 5.065 130 99 A 28 ARG HBx A 27 TRP HE3 1.0 1.969 5.033 131 100 A 49 ARG HBx A 49 ARG HDy 1.0 1.853 3.981 132 101 A 61 LYS HGy A 61 LYS HEy 1.0 1.728 3.318 133 101 A 61 LYS HGy A 61 LYS HEx 1.0 1.728 3.318 134 102 A 61 LYS HGy A 58 ASP HA 1.0 1.895 4.277 135 103 A 61 LYS HGy A 61 LYS HBy 1.0 1.690 3.162 136 104 A 19 LEU HG A 19 LEU HA 1.0 1.780 3.570 137 105 A 19 LEU HG A 43 PHE HDy 1.0 1.957 4.871 138 105 A 19 LEU HG A 43 PHE HDx 1.0 1.957 4.871 139 106 A 19 LEU HG A 23 GLU HBx 1.0 1.871 4.101 140 107 A 15 ARG HGx A 12 TYR HDy 1.0 1.916 4.446 141 107 A 15 ARG HGx A 12 TYR HDx 1.0 1.916 4.446 142 108 A 28 ARG HDy A 28 ARG HGy 1.0 1.659 3.035 143 108 A 28 ARG HDx A 28 ARG HGy 1.0 1.659 3.035 144 109 A 28 ARG HGy A 25 ASP HA 1.0 1.883 4.179 145 110 A 28 ARG HGy A 27 TRP HZ3 1.0 1.915 4.435 146 111 A 27 TRP HE3 A 28 ARG HGy 1.0 1.874 4.118 147 112 A 28 ARG HGx A 28 ARG HGy 1.0 1.562 2.694 148 113 A 36 LEU HG A 36 LEU HA 1.0 1.849 3.953 149 114 A 36 LEU HDx% A 36 LEU HG 1.0 1.667 3.067 150 115 A 36 LEU HG A 36 LEU HDy% 1.0 1.777 3.553 151 116 A 35 LYS HA A 35 LYS HGy 1.0 1.545 2.641 152 116 A 35 LYS HA A 35 LYS HGx 1.0 1.545 2.641 153 117 A 35 LYS HGy A 35 LYS HEx 1.0 1.620 2.892 154 117 A 35 LYS HGy A 35 LYS HEy 1.0 1.620 2.892 155 117 A 35 LYS HGx A 35 LYS HEy 1.0 1.620 2.892 156 117 A 35 LYS HGx A 35 LYS HEx 1.0 1.620 2.892 157 118 A 35 LYS HBy A 35 LYS HGy 1.0 1.558 2.682 158 118 A 35 LYS HBy A 35 LYS HGx 1.0 1.558 2.682 159 119 A 35 LYS HDx A 35 LYS HGy 1.0 1.428 2.294 160 119 A 35 LYS HDy A 35 LYS HGx 1.0 1.428 2.294 161 119 A 35 LYS HDx A 35 LYS HGx 1.0 1.428 2.294 162 119 A 35 LYS HDy A 35 LYS HGy 1.0 1.428 2.294 163 120 A 72 MET HGy A 71 LYS HGy 1.0 1.962 4.936 164 120 A 72 MET HGy A 71 LYS HGx 1.0 1.962 4.936 165 121 A 61 LYS HBy A 61 LYS HGx 1.0 1.713 3.257 166 122 A 61 LYS HEy A 61 LYS HGx 1.0 1.737 3.359 167 122 A 61 LYS HEx A 61 LYS HGx 1.0 1.737 3.359 168 123 A 48 HIS HD2 A 47 ARG HGy 1.0 1.849 3.949 169 124 A 43 PHE HEy A 47 ARG HGy 1.0 1.894 4.268 170 124 A 43 PHE HEx A 47 ARG HGy 1.0 1.894 4.268 171 125 A 44 LEU HA A 47 ARG HGy 1.0 1.939 4.659 172 126 A 47 ARG HBx A 47 ARG HGy 1.0 1.746 3.406 173 127 A 47 ARG HGy A 47 ARG HDy 1.0 1.636 2.950 174 127 A 47 ARG HGy A 47 ARG HDx 1.0 1.636 2.950 175 128 A 27 TRP HD1 A 38 LEU HG 1.0 1.848 3.946 176 129 A 28 ARG HGx A 27 TRP HE3 1.0 1.562 2.694 177 130 A 43 PHE HEy A 47 ARG HGx 1.0 1.831 3.841 178 130 A 43 PHE HEx A 47 ARG HGx 1.0 1.831 3.841 179 131 A 43 PHE HA A 46 LEU HG 1.0 1.632 2.938 180 132 A 46 LEU HG A 46 LEU HA 1.0 1.913 4.417 181 133 A 43 PHE HBy A 38 LEU HG 1.0 1.735 3.353 182 134 A 28 ARG HDy A 28 ARG HGx 1.0 1.654 3.016 183 134 A 28 ARG HDx A 28 ARG HGx 1.0 1.654 3.016 184 135 A 38 LEU HG A 38 LEU HBx 1.0 1.467 2.405 185 136 A 46 LEU HG A 46 LEU HDx% 1.0 1.511 2.535 186 137 A 46 LEU HDy% A 46 LEU HG 1.0 1.572 2.730 187 138 A 62 PHE HDx A 46 LEU HDx% 1.0 1.639 2.963 188 138 A 62 PHE HDy A 46 LEU HDx% 1.0 1.639 2.963 189 139 A 46 LEU HDx% A 30 HIS HE1 1.0 1.812 3.734 190 140 A 58 ASP HA A 46 LEU HDx% 1.0 1.914 4.424 191 141 A 43 PHE HA A 46 LEU HDx% 1.0 1.687 3.149 192 142 A 62 PHE HBx A 46 LEU HDx% 1.0 1.703 3.213 193 142 A 62 PHE HBy A 46 LEU HDx% 1.0 1.703 3.213 194 143 A 46 LEU HDx% A 58 ASP HBy 1.0 1.794 3.642 195 144 A 46 LEU HDx% A 46 LEU HBy 1.0 1.616 2.880 196 145 A 46 LEU HDx% A 46 LEU HBx 1.0 1.587 2.777 197 146 A 46 LEU HDy% A 46 LEU HDx% 1.0 1.400 2.218 198 147 A 24 TYR HDy A 44 LEU HDx% 1.0 1.651 3.007 199 147 A 24 TYR HDx A 44 LEU HDx% 1.0 1.651 3.007 200 148 A 41 GLU HA A 44 LEU HDx% 1.0 1.636 2.950 201 149 A 17 VAL HB A 44 LEU HDx% 1.0 1.476 2.430 202 150 A 44 LEU HDx% A 19 LEU HBx 1.0 1.561 2.693 203 151 A 44 LEU HDx% A 44 LEU HBx 1.0 1.565 2.705 204 152 A 40 VAL HGx% A 44 LEU HDx% 1.0 1.533 2.603 205 153 A 36 LEU HDy% A 30 HIS HE1 1.0 1.707 3.231 206 154 A 36 LEU HDy% A 38 LEU HBx 1.0 1.759 3.467 207 155 A 36 LEU HDy% A 34 ARG HBx 1.0 1.732 3.340 208 156 A 36 LEU HDy% A 38 LEU HDx% 1.0 1.622 2.900 209 157 A 62 PHE HDx A 36 LEU HDy% 1.0 1.950 4.780 210 157 A 62 PHE HDy A 36 LEU HDy% 1.0 1.950 4.780 211 158 A 48 HIS HD2 A 52 LEU HDx% 1.0 1.743 3.391 212 159 A 48 HIS HBx A 52 LEU HDx% 1.0 1.898 4.292 213 159 A 48 HIS HBy A 52 LEU HDx% 1.0 1.898 4.292 214 160 A 52 LEU HDx% A 52 LEU HG 1.0 1.427 2.293 215 161 A 40 VAL HGy% A 44 LEU HDx% 1.0 1.567 2.709 216 162 A 23 GLU HBx A 19 LEU HDy% 1.0 1.719 3.283 217 163 A 44 LEU HA A 19 LEU HDy% 1.0 1.887 4.211 218 164 A 19 LEU HDy% A 11 THR HB 1.0 1.876 4.136 219 165 A 19 LEU HA A 19 LEU HDy% 1.0 1.559 2.685 220 166 A 43 PHE HDx A 19 LEU HDy% 1.0 1.765 3.493 221 166 A 43 PHE HDy A 19 LEU HDy% 1.0 1.765 3.493 222 167 A 43 PHE HEx A 19 LEU HDy% 1.0 1.695 3.181 223 167 A 43 PHE HEy A 19 LEU HDy% 1.0 1.695 3.181 224 168 A 48 HIS HE2 A 19 LEU HDy% 1.0 1.947 4.749 225 169 A 19 LEU HBx A 19 LEU HDy% 1.0 1.662 3.048 226 170 A 19 LEU HG A 19 LEU HDy% 1.0 1.460 2.382 227 171 A 27 TRP HD1 A 38 LEU HDx% 1.0 1.879 4.153 228 172 A 43 PHE HDy A 38 LEU HDx% 1.0 1.834 3.856 229 172 A 43 PHE HDx A 38 LEU HDx% 1.0 1.834 3.856 230 173 A 30 HIS HE1 A 38 LEU HDx% 1.0 1.718 3.278 231 174 A 43 PHE HA A 38 LEU HDx% 1.0 1.700 3.202 232 175 A 43 PHE HBy A 38 LEU HDx% 1.0 1.786 3.594 233 176 A 38 LEU HDx% A 42 ASP HBy 1.0 1.641 2.967 234 177 A 38 LEU HBx A 38 LEU HDx% 1.0 1.435 2.315 235 178 A 60 VAL HB A 60 VAL HGx% 1.0 1.405 2.231 236 179 A 57 ASN HA A 60 VAL HGx% 1.0 1.555 2.673 237 180 A 60 VAL HGx% A 55 ASP HA 1.0 1.488 2.464 238 181 A 20 THR HG2% A 20 THR HB 1.0 1.415 2.257 239 182 A 20 THR HG2% A 23 GLU HGx 1.0 1.919 4.475 240 183 A 23 GLU HBx A 20 THR HG2% 1.0 1.821 3.785 241 184 A 19 LEU HG A 20 THR HG2% 1.0 1.869 4.081 242 185 A 19 LEU HDy% A 20 THR HG2% 1.0 1.752 3.428 243 186 A 23 GLU HGy A 20 THR HG2% 1.0 1.932 4.596 244 187 A 24 TYR HBx A 20 THR HG2% 1.0 1.920 4.486 245 188 A 11 THR HG2% A 11 THR HA 1.0 1.454 2.364 246 189 A 11 THR HB A 11 THR HG2% 1.0 1.386 2.180 247 190 A 12 TYR HDy A 11 THR HG2% 1.0 1.851 3.965 248 190 A 12 TYR HDx A 11 THR HG2% 1.0 1.851 3.965 249 191 A 48 HIS HE2 A 11 THR HG2% 1.0 1.883 4.187 250 192 A 12 TYR HEy A 11 THR HG2% 1.0 1.893 4.257 251 192 A 12 TYR HEx A 11 THR HG2% 1.0 1.893 4.257 252 193 A 12 TYR HBx A 11 THR HG2% 1.0 1.883 4.185 253 193 A 12 TYR HBy A 11 THR HG2% 1.0 1.883 4.185 254 194 A 19 LEU HBx A 11 THR HG2% 1.0 1.799 3.665 255 195 A 70 THR HG2% A 66 TRP HZ2 1.0 1.858 4.016 256 196 A 46 LEU HDy% A 30 HIS HE1 1.0 1.894 4.260 257 197 A 52 LEU HA A 52 LEU HDy% 1.0 1.389 2.189 258 198 A 62 PHE HBx A 46 LEU HDy% 1.0 1.679 3.115 259 198 A 62 PHE HBy A 46 LEU HDy% 1.0 1.679 3.115 260 199 A 46 LEU HDy% A 58 ASP HBy 1.0 1.675 3.099 261 200 A 52 LEU HDy% A 52 LEU HBx 1.0 1.402 2.224 262 201 A 52 LEU HG A 52 LEU HDy% 1.0 1.362 2.118 263 202 A 43 PHE HDy A 44 LEU HDy% 1.0 1.710 3.240 264 202 A 43 PHE HDx A 44 LEU HDy% 1.0 1.710 3.240 265 203 A 41 GLU HA A 44 LEU HDy% 1.0 1.820 3.780 266 204 A 44 LEU HA A 44 LEU HDy% 1.0 1.533 2.599 267 205 A 47 ARG HDy A 44 LEU HDy% 1.0 1.702 3.212 268 205 A 47 ARG HDx A 44 LEU HDy% 1.0 1.702 3.212 269 206 A 36 LEU HDx% A 31 ASN HBx 1.0 1.823 3.795 270 207 A 44 LEU HDy% A 44 LEU HG 1.0 1.515 2.545 271 208 A 44 LEU HBx A 44 LEU HDy% 1.0 1.584 2.768 272 209 A 17 VAL HGx% A 24 TYR HDx 1.0 1.879 4.153 273 209 A 17 VAL HGy% A 24 TYR HDx 1.0 1.879 4.153 274 209 A 17 VAL HGx% A 24 TYR HDy 1.0 1.879 4.153 275 209 A 17 VAL HGy% A 24 TYR HDy 1.0 1.879 4.153 276 210 A 12 TYR HEx A 17 VAL HGy% 1.0 1.860 4.024 277 210 A 12 TYR HEx A 17 VAL HGx% 1.0 1.860 4.024 278 210 A 12 TYR HEy A 17 VAL HGx% 1.0 1.860 4.024 279 210 A 12 TYR HEy A 17 VAL HGy% 1.0 1.860 4.024 280 211 A 12 TYR HBy A 17 VAL HGy% 1.0 1.785 3.589 281 211 A 12 TYR HBx A 17 VAL HGx% 1.0 1.785 3.589 282 211 A 12 TYR HBx A 17 VAL HGy% 1.0 1.785 3.589 283 211 A 12 TYR HBy A 17 VAL HGx% 1.0 1.785 3.589 284 212 A 17 VAL HGy% A 17 VAL HB 1.0 1.381 2.169 285 212 A 17 VAL HGx% A 17 VAL HB 1.0 1.381 2.169 286 213 A 17 VAL HGx% A 40 VAL HGy% 1.0 1.824 3.798 287 213 A 17 VAL HGy% A 40 VAL HGy% 1.0 1.824 3.798 288 214 A 40 VAL HGx% A 24 TYR HDy 1.0 1.853 3.981 289 214 A 40 VAL HGx% A 24 TYR HDx 1.0 1.853 3.981 290 215 A 24 TYR HEx A 40 VAL HGx% 1.0 1.798 3.660 291 215 A 24 TYR HEy A 40 VAL HGx% 1.0 1.798 3.660 292 216 A 41 GLU HA A 40 VAL HGx% 1.0 1.824 3.808 293 217 A 40 VAL HGx% A 40 VAL HA 1.0 1.714 3.264 294 218 A 40 VAL HGx% A 44 LEU HG 1.0 1.726 3.312 295 219 A 40 VAL HGx% A 40 VAL HGy% 1.0 1.513 2.541 296 220 A 40 VAL HGy% A 27 TRP HZ2 1.0 1.830 3.840 297 221 A 40 VAL HGy% A 24 TYR HDy 1.0 1.776 3.546 298 221 A 40 VAL HGy% A 24 TYR HDx 1.0 1.776 3.546 299 222 A 27 TRP HD1 A 40 VAL HGy% 1.0 1.918 4.470 300 223 A 40 VAL HGy% A 24 TYR HA 1.0 1.938 4.654 301 224 A 40 VAL HGy% A 44 LEU HG 1.0 1.838 3.884 302 225 A 40 VAL HGy% A 40 VAL HA 1.0 1.644 2.978 303 226 A 40 VAL HGy% A 44 LEU HDy% 1.0 1.511 2.531 304 227 A 40 VAL HGy% A 40 VAL HB 1.0 1.645 2.987 305 228 A 57 ASN HA A 60 VAL HGy% 1.0 1.611 2.859 306 229 A 60 VAL HGy% A 60 VAL HB 1.0 1.415 2.257 307 230 A 60 VAL HGy% A 61 LYS HGy 1.0 1.684 3.136 308 231 A 60 VAL HGy% A 61 LYS HGx 1.0 1.736 3.356 309 232 A 60 VAL HGy% A 57 ASN HBy 1.0 1.796 3.646 310 233 A 60 VAL HGy% A 63 ARG HDx 1.0 1.915 4.441 311 234 A 54 ALA HA A 54 ALA HB% 1.0 1.385 2.179 312 235 A 49 ARG HDx A 54 ALA HB% 1.0 1.605 2.841 313 236 A 60 VAL HA A 59 ALA HB% 1.0 1.785 3.595 314 237 A 59 ALA HB% A 49 ARG HBy 1.0 1.490 2.470 315 238 A 46 LEU HDy% A 59 ALA HB% 1.0 1.512 2.538 316 239 A 60 VAL HGx% A 59 ALA HB% 1.0 1.652 3.012 317 240 A 50 ALA HA A 50 ALA HB% 1.0 1.438 2.322 318 241 A 47 ARG HA A 50 ALA HB% 1.0 1.640 2.964 319 242 A 63 ARG HGy A 50 ALA HB% 1.0 1.670 3.078 320 243 A 32 ALA HB% A 29 GLU HGy 1.0 1.827 3.817 321 244 A 32 ALA HB% A 32 ALA HA 1.0 1.314 2.002 322 245 A 27 TRP HE3 A 40 VAL HA 1.0 1.986 5.346 323 246 A 27 TRP HD1 A 40 VAL HA 1.0 1.882 4.170 324 247 A 43 PHE HA A 40 VAL HA 1.0 1.965 4.979 325 248 A 43 PHE HBy A 40 VAL HA 1.0 1.799 3.665 326 249 A 40 VAL HB A 40 VAL HA 1.0 1.847 3.939 327 250 A 44 LEU HDy% A 40 VAL HA 1.0 1.848 3.942 328 251 A 69 ARG HGy A 66 TRP HA 1.0 1.840 3.892 329 252 A 66 TRP HA A 66 TRP HE3 1.0 1.833 3.851 330 253 A 66 TRP HBx A 66 TRP HA 1.0 1.742 3.384 331 254 A 65 TRP HBy A 66 TRP HA 1.0 1.953 4.817 332 255 A 30 HIS HA A 30 HIS HBx 1.0 1.805 3.695 333 256 A 30 HIS HA A 30 HIS HD2 1.0 1.919 4.471 334 257 A 30 HIS HA A 30 HIS HBy 1.0 1.787 3.605 335 258 A 62 PHE HDy A 47 ARG HA 1.0 1.787 3.601 336 258 A 62 PHE HDx A 47 ARG HA 1.0 1.787 3.601 337 259 A 28 ARG HBy A 28 ARG HA 1.0 1.756 3.446 338 260 A 28 ARG HBx A 28 ARG HA 1.0 1.754 3.440 339 261 A 28 ARG HGy A 28 ARG HA 1.0 1.768 3.508 340 262 A 28 ARG HGx A 28 ARG HA 1.0 1.767 3.501 341 263 A 44 LEU HA A 44 LEU HG 1.0 1.807 3.707 342 264 A 44 LEU HA A 44 LEU HBx 1.0 1.721 3.287 343 265 A 44 LEU HA A 47 ARG HDy 1.0 1.851 3.963 344 265 A 44 LEU HA A 47 ARG HDx 1.0 1.851 3.963 345 266 A 44 LEU HA A 43 PHE HDy 1.0 1.942 4.692 346 266 A 44 LEU HA A 43 PHE HDx 1.0 1.942 4.692 347 267 A 36 LEU HA A 36 LEU HBy 1.0 1.828 3.826 348 268 A 38 LEU HBx A 36 LEU HBy 1.0 1.901 4.313 349 269 A 36 LEU HDx% A 36 LEU HBy 1.0 1.718 3.278 350 270 A 36 LEU HDy% A 36 LEU HBy 1.0 1.759 3.465 351 271 A 19 LEU HA A 19 LEU HBx 1.0 1.857 4.005 352 272 A 19 LEU HBy A 19 LEU HA 1.0 1.829 3.831 353 273 A 24 TYR HBx A 19 LEU HBx 1.0 1.975 5.129 354 274 A 23 GLU HBx A 19 LEU HBx 1.0 1.955 4.843 355 275 A 19 LEU HBy A 23 GLU HBx 1.0 1.912 4.410 356 276 A 17 VAL HB A 19 LEU HBx 1.0 1.968 5.020 357 277 A 17 VAL HB A 19 LEU HBy 1.0 1.924 4.512 358 278 A 19 LEU HBy A 19 LEU HBx 1.0 1.644 2.982 359 279 A 43 PHE HEx A 47 ARG HDy 1.0 1.804 3.694 360 279 A 43 PHE HEy A 47 ARG HDy 1.0 1.804 3.694 361 279 A 43 PHE HEy A 47 ARG HDx 1.0 1.804 3.694 362 279 A 43 PHE HEx A 47 ARG HDx 1.0 1.804 3.694 363 280 A 48 HIS HD2 A 47 ARG HDy 1.0 1.863 4.041 364 280 A 48 HIS HD2 A 47 ARG HDx 1.0 1.863 4.041 365 281 A 48 HIS HBx A 47 ARG HDy 1.0 1.882 4.170 366 281 A 48 HIS HBy A 47 ARG HDy 1.0 1.882 4.170 367 281 A 48 HIS HBy A 47 ARG HDx 1.0 1.882 4.170 368 281 A 48 HIS HBx A 47 ARG HDx 1.0 1.882 4.170 369 282 A 47 ARG HDx A 19 LEU HDy% 1.0 1.675 3.099 370 282 A 47 ARG HDy A 19 LEU HDy% 1.0 1.675 3.099 371 283 A 34 ARG HDx A 34 ARG HA 1.0 1.947 4.753 372 284 A 34 ARG HA A 34 ARG HDy 1.0 1.924 4.520 373 285 A 34 ARG HBx A 34 ARG HDx 1.0 1.965 4.983 374 286 A 34 ARG HDy A 34 ARG HGx 1.0 1.848 3.946 375 287 A 34 ARG HDx A 34 ARG HGx 1.0 1.878 4.150 376 288 A 36 LEU HDy% A 34 ARG HDy 1.0 1.968 5.022 377 289 A 36 LEU HDy% A 34 ARG HDx 1.0 1.971 5.073 378 290 A 17 VAL HGx% A 15 ARG HDy 1.0 1.713 3.253 379 290 A 17 VAL HGx% A 15 ARG HDx 1.0 1.713 3.253 380 290 A 17 VAL HGy% A 15 ARG HDy 1.0 1.713 3.253 381 290 A 17 VAL HGy% A 15 ARG HDx 1.0 1.713 3.253 382 291 A 13 ARG HDy A 13 ARG HGy 1.0 1.363 2.121 383 291 A 13 ARG HDx A 13 ARG HGy 1.0 1.363 2.121 384 292 A 13 ARG HDy A 41 GLU HBx 1.0 1.473 2.421 385 292 A 13 ARG HDx A 41 GLU HBx 1.0 1.473 2.421 386 293 A 15 ARG HDy A 12 TYR HDx 1.0 1.906 4.362 387 293 A 15 ARG HDy A 12 TYR HDy 1.0 1.906 4.362 388 293 A 15 ARG HDx A 12 TYR HDy 1.0 1.906 4.362 389 293 A 15 ARG HDx A 12 TYR HDx 1.0 1.906 4.362 390 294 A 15 ARG HDx A 11 THR HG2% 1.0 1.891 4.243 391 294 A 15 ARG HDy A 11 THR HG2% 1.0 1.891 4.243 392 295 A 63 ARG HGy A 63 ARG HDy 1.0 1.796 3.646 393 296 A 63 ARG HDx A 63 ARG HDy 1.0 1.685 3.139 394 297 A 63 ARG HA A 63 ARG HDx 1.0 1.895 4.267 395 298 A 63 ARG HA A 63 ARG HDy 1.0 1.873 4.107 396 299 A 15 ARG HDy A 15 ARG HGx 1.0 1.470 2.412 397 299 A 15 ARG HDx A 15 ARG HGx 1.0 1.470 2.412 398 300 A 61 LYS HEy A 61 LYS HBy 1.0 1.787 3.599 399 300 A 61 LYS HEx A 61 LYS HBy 1.0 1.787 3.599 400 301 A 71 LYS HEy A 71 LYS HA 1.0 1.827 3.817 401 301 A 71 LYS HEx A 71 LYS HA 1.0 1.827 3.817 402 302 A 67 ASN HA A 71 LYS HEy 1.0 1.840 3.894 403 302 A 67 ASN HA A 71 LYS HEx 1.0 1.840 3.894 404 303 A 56 ASP HBy A 56 ASP HA 1.0 1.643 2.977 405 304 A 71 LYS HBy A 71 LYS HEy 1.0 1.754 3.438 406 304 A 71 LYS HBy A 71 LYS HEx 1.0 1.754 3.438 407 305 A 71 LYS HEy A 71 LYS HDy 1.0 1.390 2.192 408 305 A 71 LYS HEx A 71 LYS HDy 1.0 1.390 2.192 409 305 A 71 LYS HEy A 71 LYS HDx 1.0 1.390 2.192 410 305 A 71 LYS HEx A 71 LYS HDx 1.0 1.390 2.192 411 306 A 60 VAL HGx% A 55 ASP HBy 1.0 1.786 3.596 412 307 A 37 ASP HBy A 37 ASP HBx 1.0 1.473 2.419 413 308 A 37 ASP HBx A 37 ASP HA 1.0 1.665 3.061 414 309 A 38 LEU HBy A 38 LEU HA 1.0 1.841 3.903 415 310 A 38 LEU HBx A 42 ASP HBx 1.0 1.876 4.132 416 311 A 38 LEU HBy A 42 ASP HBx 1.0 1.928 4.558 417 312 A 30 HIS HE1 A 38 LEU HBy 1.0 1.971 5.067 418 313 A 66 TRP HE3 A 69 ARG HDx 1.0 1.926 4.538 419 314 A 46 LEU HBy A 59 ALA HA 1.0 1.885 4.197 420 315 A 52 LEU HA A 52 LEU HBy 1.0 1.686 3.146 421 316 A 52 LEU HDx% A 52 LEU HBy 1.0 1.630 2.932 422 317 A 52 LEU HG A 52 LEU HBy 1.0 1.619 2.887 423 318 A 43 PHE HA A 46 LEU HBx 1.0 1.880 4.164 424 319 A 46 LEU HA A 46 LEU HBx 1.0 1.813 3.741 425 320 A 52 LEU HBy A 49 ARG HA 1.0 1.784 3.588 426 321 A 46 LEU HBy A 46 LEU HBx 1.0 1.761 3.473 427 322 A 46 LEU HDy% A 46 LEU HBx 1.0 1.711 3.249 428 323 A 44 LEU HA A 44 LEU HBy 1.0 1.874 4.118 429 324 A 17 VAL HB A 44 LEU HBx 1.0 1.913 4.417 430 325 A 44 LEU HBx A 44 LEU HBy 1.0 1.803 3.687 431 326 A 70 THR HG2% A 70 THR HB 1.0 1.386 2.182 432 327 A 72 MET HBy A 70 THR HB 1.0 1.958 4.882 433 328 A 12 TYR HBy A 11 THR HB 1.0 1.963 4.949 434 328 A 12 TYR HBx A 11 THR HB 1.0 1.963 4.949 435 329 A 39 SER HBx A 27 TRP HZ2 1.0 1.958 4.878 436 330 A 39 SER HBy A 39 SER HA 1.0 1.647 2.991 437 331 A 39 SER HBy A 39 SER HBx 1.0 1.624 2.906 438 332 A 69 ARG HBx A 68 SER HBy 1.0 1.880 4.162 439 332 A 69 ARG HBx A 68 SER HBx 1.0 1.880 4.162 440 333 A 33 SER HBx A 65 TRP HZ2 1.0 1.810 3.722 441 334 A 30 HIS HA A 33 SER HBy 1.0 1.905 4.351 442 335 A 30 HIS HA A 33 SER HBx 1.0 1.873 4.107 443 336 A 32 ALA HB% A 33 SER HBy 1.0 1.885 4.197 444 337 A 32 ALA HB% A 33 SER HBx 1.0 1.871 4.099 445 338 A 34 ARG HGx A 33 SER HBy 1.0 1.935 4.627 446 339 A 12 TYR HDy A 11 THR HA 1.0 1.942 4.702 447 339 A 12 TYR HDx A 11 THR HA 1.0 1.942 4.702 448 340 A 70 THR HG2% A 70 THR HA 1.0 1.420 2.272 449 341 A 17 VAL HGy% A 17 VAL HA 1.0 1.384 2.176 450 341 A 17 VAL HGx% A 17 VAL HA 1.0 1.384 2.176 451 342 A 65 TRP HBx A 65 TRP HA 1.0 1.683 3.133 452 343 A 65 TRP HBy A 65 TRP HA 1.0 1.728 3.324 453 344 A 65 TRP HA A 65 TRP HD1 1.0 1.720 3.286 454 345 A 43 PHE HA A 43 PHE HDy 1.0 1.821 3.787 455 345 A 43 PHE HA A 43 PHE HDx 1.0 1.821 3.787 456 346 A 41 GLU HA A 44 LEU HBx 1.0 1.888 4.216 457 347 A 41 GLU HA A 44 LEU HG 1.0 1.623 2.901 458 348 A 41 GLU HA A 41 GLU HGx 1.0 1.712 3.254 459 349 A 63 ARG HA A 63 ARG HBy 1.0 1.752 3.432 460 350 A 63 ARG HA A 63 ARG HBx 1.0 1.649 2.997 461 351 A 63 ARG HA A 63 ARG HGx 1.0 1.759 3.463 462 352 A 66 TRP HBy A 63 ARG HA 1.0 1.770 3.520 463 353 A 63 ARG HA A 62 PHE HDy 1.0 1.822 3.792 464 353 A 63 ARG HA A 62 PHE HDx 1.0 1.822 3.792 465 354 A 63 ARG HDx A 64 SER HA 1.0 1.691 3.165 466 355 A 63 ARG HDy A 64 SER HA 1.0 1.832 3.852 467 356 A 62 PHE HA A 62 PHE HDy 1.0 1.721 3.291 468 356 A 62 PHE HA A 62 PHE HDx 1.0 1.721 3.291 469 357 A 24 TYR HBx A 24 TYR HA 1.0 1.796 3.646 470 358 A 24 TYR HBy A 24 TYR HA 1.0 1.818 3.766 471 359 A 19 LEU HDy% A 20 THR HA 1.0 1.890 4.236 472 360 A 20 THR HB A 20 THR HA 1.0 1.534 2.606 473 361 A 32 ALA HB% A 33 SER HA 1.0 1.790 3.620 474 362 A 33 SER HBx A 33 SER HA 1.0 1.581 2.757 475 363 A 61 LYS HGx A 61 LYS HA 1.0 1.636 2.950 476 364 A 61 LYS HGy A 61 LYS HA 1.0 1.582 2.760 477 365 A 61 LYS HBy A 61 LYS HA 1.0 1.677 3.107 478 366 A 60 VAL HGy% A 61 LYS HA 1.0 1.754 3.438 479 367 A 48 HIS HD2 A 48 HIS HA 1.0 1.812 3.736 480 368 A 23 GLU HA A 23 GLU HBy 1.0 1.691 3.165 481 369 A 43 PHE HEy A 27 TRP HA 1.0 1.900 4.310 482 369 A 43 PHE HEx A 27 TRP HA 1.0 1.900 4.310 483 370 A 45 MET HBy A 45 MET HA 1.0 1.587 2.779 484 370 A 45 MET HBx A 45 MET HA 1.0 1.587 2.779 485 371 A 45 MET HA A 45 MET HGx 1.0 1.650 3.002 486 372 A 45 MET HGy A 45 MET HA 1.0 1.725 3.311 487 373 A 48 HIS HBy A 45 MET HA 1.0 1.705 3.223 488 373 A 48 HIS HBx A 45 MET HA 1.0 1.705 3.223 489 374 A 52 LEU HG A 48 HIS HA 1.0 1.661 3.043 490 375 A 48 HIS HBy A 48 HIS HA 1.0 1.599 2.819 491 375 A 48 HIS HBx A 48 HIS HA 1.0 1.599 2.819 492 376 A 29 GLU HGy A 29 GLU HA 1.0 1.687 3.147 493 377 A 32 ALA HB% A 29 GLU HA 1.0 1.577 2.743 494 378 A 54 ALA HB% A 49 ARG HA 1.0 1.723 3.303 495 379 A 49 ARG HGx A 49 ARG HA 1.0 1.664 3.056 496 380 A 49 ARG HBx A 49 ARG HA 1.0 1.652 3.014 497 381 A 49 ARG HDx A 49 ARG HA 1.0 1.873 4.107 498 382 A 49 ARG HDy A 49 ARG HA 1.0 1.880 4.162 499 383 A 69 ARG HA A 69 ARG HBx 1.0 1.650 3.004 500 384 A 35 LYS HA A 35 LYS HBx 1.0 1.623 2.903 501 385 A 35 LYS HBy A 35 LYS HA 1.0 1.625 2.909 502 386 A 69 ARG HA A 68 SER HA 1.0 1.926 4.540 503 387 A 46 LEU HDy% A 46 LEU HA 1.0 1.558 2.680 504 388 A 46 LEU HA A 46 LEU HBy 1.0 1.752 3.434 505 389 A 49 ARG HDy A 46 LEU HA 1.0 1.908 4.378 506 390 A 62 PHE HBy A 59 ALA HA 1.0 1.764 3.484 507 390 A 62 PHE HBx A 59 ALA HA 1.0 1.764 3.484 508 391 A 46 LEU HDy% A 59 ALA HA 1.0 1.604 2.834 509 392 A 62 PHE HDy A 59 ALA HA 1.0 1.852 3.972 510 392 A 62 PHE HDx A 59 ALA HA 1.0 1.852 3.972 511 393 A 71 LYS HGy A 68 SER HA 1.0 1.862 4.034 512 393 A 71 LYS HGx A 68 SER HA 1.0 1.862 4.034 513 394 A 71 LYS HDy A 68 SER HA 1.0 1.866 4.068 514 394 A 71 LYS HDx A 68 SER HA 1.0 1.866 4.068 515 395 A 68 SER HBy A 68 SER HA 1.0 1.442 2.334 516 395 A 68 SER HBx A 68 SER HA 1.0 1.442 2.334 517 396 A 69 ARG HGy A 68 SER HA 1.0 1.970 5.052 518 397 A 17 VAL HGy% A 12 TYR HA 1.0 1.873 4.111 519 397 A 17 VAL HGx% A 12 TYR HA 1.0 1.873 4.111 520 398 A 15 ARG HDy A 12 TYR HA 1.0 1.870 4.090 521 398 A 15 ARG HDx A 12 TYR HA 1.0 1.870 4.090 522 399 A 48 HIS HE2 A 12 TYR HA 1.0 1.895 4.273 523 400 A 12 TYR HBy A 12 TYR HA 1.0 1.579 2.749 524 400 A 12 TYR HBx A 12 TYR HA 1.0 1.579 2.749 525 401 A 57 ASN HA A 57 ASN HBy 1.0 1.568 2.714 526 402 A 42 ASP HA A 45 MET HBy 1.0 1.646 2.988 527 402 A 42 ASP HA A 45 MET HBx 1.0 1.646 2.988 528 403 A 42 ASP HA A 42 ASP HBy 1.0 1.635 2.947 529 404 A 13 ARG HDy A 42 ASP HA 1.0 1.789 3.613 530 404 A 13 ARG HDx A 42 ASP HA 1.0 1.789 3.613 531 405 A 71 LYS HGy A 71 LYS HA 1.0 1.512 2.534 532 405 A 71 LYS HGx A 71 LYS HA 1.0 1.512 2.534 533 406 A 71 LYS HBy A 71 LYS HA 1.0 1.402 2.224 534 407 A 36 LEU HDy% A 34 ARG HA 1.0 1.887 4.209 535 408 A 72 MET HGx A 71 LYS HA 1.0 1.896 4.278 536 409 A 31 ASN HBy A 31 ASN HA 1.0 1.717 3.271 537 410 A 59 ALA HB% A 59 ALA HA 1.0 1.513 2.539 538 411 A 51 ALA HA A 51 ALA HB% 1.0 1.460 2.382 539 412 A 52 LEU HA A 52 LEU HBx 1.0 1.553 2.665 540 413 A 49 ARG HBx A 54 ALA HA 1.0 1.845 3.925 541 414 A 54 ALA HA A 55 ASP HBx 1.0 1.921 4.491 542 415 A 73 ALA HB% A 73 ALA HA 1.0 1.334 2.048 543 416 A 74 ASN HBy A 73 ALA HA 1.0 1.912 4.408 544 416 A 74 ASN HBx A 73 ALA HA 1.0 1.912 4.408 545 417 A 76 TYR HDy A 73 ALA HA 1.0 1.939 4.663 546 417 A 76 TYR HDx A 73 ALA HA 1.0 1.939 4.663 547 418 A 18 ALA HA A 18 ALA HB% 1.0 1.423 2.279 548 419 A 19 LEU HBy A 18 ALA HA 1.0 1.872 4.108 549 420 A 17 VAL HA A 18 ALA HA 1.0 1.916 4.444 550 421 A 74 ASN HA A 51 ALA HB% 1.0 1.654 3.018 551 422 A 74 ASN HA A 72 MET HBx 1.0 1.895 4.275 552 423 A 61 LYS HDy A 58 ASP HA 1.0 1.690 3.158 553 423 A 61 LYS HDx A 58 ASP HA 1.0 1.690 3.158 554 424 A 46 LEU HDy% A 58 ASP HA 1.0 1.751 3.425 555 425 A 28 ARG HBx A 25 ASP HA 1.0 1.794 3.640 556 426 A 58 ASP HA A 58 ASP HBy 1.0 1.579 2.749 557 427 A 76 TYR HDy A 76 TYR HA 1.0 1.537 2.613 558 427 A 76 TYR HDx A 76 TYR HA 1.0 1.537 2.613 559 428 A 22 ASP HA A 22 ASP HBx 1.0 1.619 2.887 560 429 A 38 LEU HBx A 38 LEU HA 1.0 1.658 3.034 561 430 A 75 ASP HA A 20 THR HG2% 1.0 1.884 4.192 562 431 A 72 MET HA A 72 MET HBy 1.0 1.430 2.300 563 432 A 67 ASN HA A 71 LYS HGy 1.0 1.743 3.393 564 432 A 67 ASN HA A 71 LYS HGx 1.0 1.743 3.393 565 433 A 67 ASN HA A 67 ASN HBy 1.0 1.519 2.557 566 433 A 67 ASN HA A 67 ASN HBx 1.0 1.519 2.557 567 434 A 72 MET HA A 70 THR HG2% 1.0 1.825 3.813 568 435 A 72 MET HA A 66 TRP HZ2 1.0 1.852 3.974 569 436 A 55 ASP HA A 55 ASP HBy 1.0 1.563 2.697 570 437 A 53 GLY HAy A 53 GLY HAx 1.0 1.615 2.877 571 438 A 39 SER HBx A 39 SER HA 1.0 1.648 2.994 572 439 A 30 HIS HE1 A 46 LEU HBx 1.0 1.970 5.046 573 440 A 38 LEU HBx A 30 HIS HE1 1.0 1.932 4.594 574 441 A 19 LEU HBy A 24 TYR HDy 1.0 1.884 4.192 575 441 A 19 LEU HBy A 24 TYR HDx 1.0 1.884 4.192 576 442 A 24 TYR HBx A 24 TYR HDy 1.0 1.742 3.388 577 442 A 24 TYR HBx A 24 TYR HDx 1.0 1.742 3.388 578 443 A 24 TYR HBy A 24 TYR HDy 1.0 1.745 3.399 579 443 A 24 TYR HBy A 24 TYR HDx 1.0 1.745 3.399 580 444 A 25 ASP HA A 24 TYR HDy 1.0 1.828 3.830 581 444 A 25 ASP HA A 24 TYR HDx 1.0 1.828 3.830 582 445 A 12 TYR HBy A 12 TYR HDx 1.0 1.517 2.551 583 445 A 12 TYR HBy A 12 TYR HDy 1.0 1.517 2.551 584 445 A 12 TYR HBx A 12 TYR HDy 1.0 1.517 2.551 585 445 A 12 TYR HBx A 12 TYR HDx 1.0 1.517 2.551 586 446 A 12 TYR HDy A 12 TYR HA 1.0 1.615 2.875 587 446 A 12 TYR HDx A 12 TYR HA 1.0 1.615 2.875 588 447 A 76 TYR HDy A 76 TYR HEy 1.0 1.321 2.017 589 447 A 76 TYR HDy A 76 TYR HEx 1.0 1.321 2.017 590 447 A 76 TYR HDx A 76 TYR HEy 1.0 1.321 2.017 591 447 A 76 TYR HDx A 76 TYR HEx 1.0 1.321 2.017 592 448 A 17 VAL HGx% A 12 TYR HDx 1.0 1.725 3.309 593 448 A 17 VAL HGx% A 12 TYR HDy 1.0 1.725 3.309 594 448 A 17 VAL HGy% A 12 TYR HDx 1.0 1.725 3.309 595 448 A 17 VAL HGy% A 12 TYR HDy 1.0 1.725 3.309 596 449 A 17 VAL HA A 12 TYR HDy 1.0 1.783 3.583 597 449 A 17 VAL HA A 12 TYR HDx 1.0 1.783 3.583 598 450 A 76 TYR HDy A 73 ALA HB% 1.0 1.949 4.773 599 450 A 76 TYR HDx A 73 ALA HB% 1.0 1.949 4.773 600 451 A 30 HIS HBx A 43 PHE HDy 1.0 1.922 4.502 601 451 A 30 HIS HBx A 43 PHE HDx 1.0 1.922 4.502 602 452 A 43 PHE HDy A 44 LEU HG 1.0 1.939 4.665 603 452 A 43 PHE HDx A 44 LEU HG 1.0 1.939 4.665 604 453 A 62 PHE HBy A 62 PHE HDx 1.0 1.748 3.410 605 453 A 62 PHE HBy A 62 PHE HDy 1.0 1.748 3.410 606 453 A 62 PHE HBx A 62 PHE HDy 1.0 1.748 3.410 607 453 A 62 PHE HBx A 62 PHE HDx 1.0 1.748 3.410 608 454 A 62 PHE HDy A 63 ARG HBx 1.0 1.909 4.385 609 454 A 62 PHE HDx A 63 ARG HBx 1.0 1.909 4.385 610 455 A 43 PHE HEy A 23 GLU HBy 1.0 1.873 4.111 611 455 A 43 PHE HEx A 23 GLU HBy 1.0 1.873 4.111 612 456 A 43 PHE HEy A 44 LEU HA 1.0 1.963 4.955 613 456 A 43 PHE HEx A 44 LEU HA 1.0 1.963 4.955 614 457 A 43 PHE HEy A 43 PHE HDy 1.0 1.784 3.586 615 457 A 43 PHE HEx A 43 PHE HDy 1.0 1.784 3.586 616 457 A 43 PHE HEy A 43 PHE HDx 1.0 1.784 3.586 617 457 A 43 PHE HEx A 43 PHE HDx 1.0 1.784 3.586 618 458 A 43 PHE HEy A 43 PHE HZ 1.0 1.778 3.558 619 458 A 43 PHE HEx A 43 PHE HZ 1.0 1.778 3.558 620 459 A 43 PHE HZ A 47 ARG HDy 1.0 1.866 4.066 621 459 A 43 PHE HZ A 47 ARG HDx 1.0 1.866 4.066 622 460 A 43 PHE HZ A 23 GLU HBy 1.0 1.849 3.953 623 461 A 23 GLU HA A 43 PHE HZ 1.0 1.979 5.187 624 462 A 43 PHE HZ A 43 PHE HDy 1.0 1.920 4.480 625 462 A 43 PHE HZ A 43 PHE HDx 1.0 1.920 4.480 626 463 A 47 ARG HBx A 62 PHE HEy 1.0 1.907 4.371 627 463 A 47 ARG HBx A 62 PHE HEx 1.0 1.907 4.371 628 464 A 47 ARG HA A 62 PHE HEy 1.0 1.860 4.024 629 464 A 47 ARG HA A 62 PHE HEx 1.0 1.860 4.024 630 465 A 50 ALA HB% A 62 PHE HEx 1.0 1.956 4.854 631 465 A 50 ALA HB% A 62 PHE HEy 1.0 1.956 4.854 632 466 A 62 PHE HDy A 62 PHE HEy 1.0 1.685 3.141 633 466 A 62 PHE HDx A 62 PHE HEy 1.0 1.685 3.141 634 466 A 62 PHE HDy A 62 PHE HEx 1.0 1.685 3.141 635 466 A 62 PHE HDx A 62 PHE HEx 1.0 1.685 3.141 636 467 A 65 TRP HBy A 65 TRP HD1 1.0 1.873 4.109 637 468 A 65 TRP HBx A 65 TRP HD1 1.0 1.852 3.972 638 469 A 34 ARG HDx A 65 TRP HD1 1.0 1.970 5.052 639 470 A 65 TRP HD1 A 65 TRP HE3 1.0 1.965 4.977 640 471 A 72 MET HBy A 66 TRP HD1 1.0 1.915 4.429 641 472 A 66 TRP HBx A 66 TRP HD1 1.0 1.773 3.533 642 473 A 66 TRP HBy A 66 TRP HD1 1.0 1.765 3.489 643 474 A 63 ARG HA A 66 TRP HD1 1.0 1.919 4.469 644 475 A 62 PHE HDy A 66 TRP HD1 1.0 1.883 4.185 645 475 A 62 PHE HDx A 66 TRP HD1 1.0 1.883 4.185 646 476 A 70 THR HG2% A 66 TRP HD1 1.0 1.947 4.755 647 477 A 27 TRP HD1 A 38 LEU HBx 1.0 1.970 5.054 648 478 A 43 PHE HA A 27 TRP HD1 1.0 1.885 4.199 649 479 A 43 PHE HEy A 27 TRP HD1 1.0 1.940 4.678 650 479 A 43 PHE HEx A 27 TRP HD1 1.0 1.940 4.678 651 480 A 27 TRP HD1 A 43 PHE HDy 1.0 1.855 3.993 652 480 A 27 TRP HD1 A 43 PHE HDx 1.0 1.855 3.993 653 481 A 43 PHE HBy A 27 TRP HD1 1.0 1.739 3.371 654 482 A 40 VAL HGy% A 27 TRP HH2 1.0 1.929 4.563 655 483 A 28 ARG HGx A 27 TRP HH2 1.0 1.982 5.250 656 484 A 27 TRP HZ3 A 27 TRP HH2 1.0 1.658 3.032 657 485 A 30 HIS HA A 65 TRP HH2 1.0 1.917 4.451 658 486 A 30 HIS HBy A 65 TRP HH2 1.0 1.824 3.806 659 487 A 30 HIS HBx A 65 TRP HH2 1.0 1.791 3.621 660 488 A 30 HIS HBx A 65 TRP HZ3 1.0 1.967 5.009 661 489 A 66 TRP HBx A 65 TRP HZ3 1.0 1.945 4.725 662 490 A 30 HIS HD2 A 65 TRP HZ3 1.0 1.972 5.074 663 491 A 66 TRP HE3 A 65 TRP HZ3 1.0 1.837 3.879 664 492 A 62 PHE HDy A 65 TRP HZ3 1.0 1.876 4.136 665 492 A 62 PHE HDx A 65 TRP HZ3 1.0 1.876 4.136 666 493 A 66 TRP HBx A 65 TRP HE3 1.0 1.883 4.185 667 494 A 65 TRP HBy A 65 TRP HE3 1.0 1.854 3.982 668 495 A 65 TRP HBx A 65 TRP HE3 1.0 1.877 4.141 669 496 A 30 HIS HD2 A 65 TRP HE3 1.0 1.927 4.541 670 497 A 66 TRP HE3 A 65 TRP HE3 1.0 1.861 4.033 671 498 A 62 PHE HDy A 65 TRP HE3 1.0 1.855 3.995 672 498 A 62 PHE HDx A 65 TRP HE3 1.0 1.855 3.995 673 499 A 33 SER HBy A 66 TRP HZ3 1.0 1.941 4.687 674 500 A 66 TRP HE3 A 66 TRP HZ3 1.0 1.636 2.950 675 501 A 66 TRP HZ3 A 66 TRP HH2 1.0 1.581 2.759 676 502 A 69 ARG HGy A 66 TRP HE3 1.0 1.974 5.110 677 503 A 66 TRP HBx A 66 TRP HE3 1.0 1.866 4.062 678 504 A 40 VAL HGy% A 27 TRP HE3 1.0 1.988 5.410 679 505 A 28 ARG HDy A 27 TRP HE3 1.0 1.977 5.165 680 505 A 28 ARG HDx A 27 TRP HE3 1.0 1.977 5.165 681 506 A 27 TRP HE3 A 28 ARG HA 1.0 1.956 4.862 682 507 A 27 TRP HE3 A 24 TYR HA 1.0 1.961 4.925 683 508 A 27 TRP HE3 A 27 TRP HZ3 1.0 1.853 3.981 684 509 A 40 VAL HGy% A 27 TRP HZ3 1.0 1.977 5.157 685 510 A 28 ARG HDy A 27 TRP HZ3 1.0 1.946 4.744 686 510 A 28 ARG HDx A 27 TRP HZ3 1.0 1.946 4.744 687 511 A 24 TYR HEx A 40 VAL HGy% 1.0 1.836 3.872 688 511 A 24 TYR HEy A 40 VAL HGy% 1.0 1.836 3.872 689 512 A 24 TYR HEy A 28 ARG HDy 1.0 1.796 3.648 690 512 A 24 TYR HEy A 28 ARG HDx 1.0 1.796 3.648 691 512 A 24 TYR HEx A 28 ARG HDy 1.0 1.796 3.648 692 512 A 24 TYR HEx A 28 ARG HDx 1.0 1.796 3.648 693 513 A 24 TYR HEy A 18 ALA HA 1.0 1.836 3.868 694 513 A 24 TYR HEx A 18 ALA HA 1.0 1.836 3.868 695 514 A 24 TYR HEx A 24 TYR HDy 1.0 1.431 2.303 696 514 A 24 TYR HEy A 24 TYR HDy 1.0 1.431 2.303 697 514 A 24 TYR HEy A 24 TYR HDx 1.0 1.431 2.303 698 514 A 24 TYR HEx A 24 TYR HDx 1.0 1.431 2.303 699 515 A 12 TYR HEx A 15 ARG HDy 1.0 1.808 3.714 700 515 A 12 TYR HEy A 15 ARG HDy 1.0 1.808 3.714 701 515 A 12 TYR HEy A 15 ARG HDx 1.0 1.808 3.714 702 515 A 12 TYR HEx A 15 ARG HDx 1.0 1.808 3.714 703 516 A 12 TYR HEy A 12 TYR HDy 1.0 1.331 2.043 704 516 A 12 TYR HEx A 12 TYR HDy 1.0 1.331 2.043 705 516 A 12 TYR HEy A 12 TYR HDx 1.0 1.331 2.043 706 516 A 12 TYR HEx A 12 TYR HDx 1.0 1.331 2.043 707 517 A 70 THR HB A 66 TRP HZ2 1.0 1.963 4.945 708 518 A 40 VAL HB A 27 TRP HZ2 1.0 1.942 4.694 709 519 A 40 VAL HA A 27 TRP HZ2 1.0 1.975 5.129 710 520 A 27 TRP HZ2 A 28 ARG HA 1.0 1.984 5.298 711 521 A 39 SER HBy A 27 TRP HZ2 1.0 1.968 5.008 712 522 A 27 TRP HZ2 A 39 SER HA 1.0 1.796 3.650 713 523 A 27 TRP HZ2 A 27 TRP HH2 1.0 1.577 2.745 714 524 A 66 TRP HZ2 A 66 TRP HH2 1.0 1.494 2.480 715 525 A 30 HIS HA A 65 TRP HZ2 1.0 1.798 3.660 716 526 A 65 TRP HZ2 A 33 SER HBy 1.0 1.823 3.795 717 527 A 29 GLU HGx A 65 TRP HZ2 1.0 1.768 3.508 718 528 A 65 TRP HZ2 A 66 TRP HZ3 1.0 1.849 3.957 719 529 A 28 ARG HDx A 24 TYR HDy 1.0 1.947 4.751 720 529 A 28 ARG HDy A 24 TYR HDy 1.0 1.947 4.751 721 529 A 28 ARG HDy A 24 TYR HDx 1.0 1.947 4.751 722 529 A 28 ARG HDx A 24 TYR HDx 1.0 1.947 4.751 723 530 A 28 ARG HGy A 24 TYR HDy 1.0 1.965 4.975 724 530 A 28 ARG HGy A 24 TYR HDx 1.0 1.965 4.975 725 531 A 24 TYR HDy A 19 LEU HBx 1.0 1.933 4.603 726 531 A 24 TYR HDx A 19 LEU HBx 1.0 1.933 4.603 727 532 A 62 PHE HDy A 30 HIS HD2 1.0 1.867 4.073 728 532 A 62 PHE HDx A 30 HIS HD2 1.0 1.867 4.073 729 533 A 30 HIS HBy A 30 HIS HD2 1.0 1.951 4.801 730 534 A 30 HIS HBx A 30 HIS HD2 1.0 1.954 4.834 731 535 A 30 HIS HD2 A 34 ARG HDx 1.0 1.950 4.780 732 536 A 30 HIS HD2 A 34 ARG HGx 1.0 1.974 5.114 733 537 A 41 GLU HBx A 13 ARG HGy 1.0 1.291 1.947 734 538 A 17 VAL HGx% A 40 VAL HGx% 1.0 1.827 3.819 735 538 A 17 VAL HGy% A 40 VAL HGx% 1.0 1.827 3.819 736 539 A 12 TYR HEy A 11 THR HB 1.0 1.978 5.174 737 539 A 12 TYR HEx A 11 THR HB 1.0 1.978 5.174 738 540 A 19 LEU HBx A 11 THR HB 1.0 1.967 5.011 739 541 A 66 TRP HBy A 66 TRP HE3 1.0 1.955 4.841 740 542 A 66 TRP HBy A 62 PHE HDy 1.0 1.946 4.742 741 542 A 66 TRP HBy A 62 PHE HDx 1.0 1.946 4.742 742 543 A 11 THR HG2% A 12 TYR HA 1.0 1.958 4.882 743 544 A 30 HIS HD2 A 34 ARG HDy 1.0 1.974 5.100 744 545 A 70 THR HG2% A 66 TRP HE1 1.0 1.878 4.140 745 546 A 66 TRP HD1 A 66 TRP HE1 1.0 1.486 2.458 746 547 A 66 TRP HZ2 A 66 TRP HE1 1.0 1.561 2.691 747 548 A 34 ARG HDy A 65 TRP HE1 1.0 1.804 3.690 748 549 A 33 SER HBx A 65 TRP HE1 1.0 1.735 3.357 749 550 A 33 SER HBy A 65 TRP HE1 1.0 1.675 3.099 750 551 A 40 VAL HA A 27 TRP HE1 1.0 1.879 4.157 751 552 A 39 SER HA A 27 TRP HE1 1.0 1.872 4.108 752 553 A 27 TRP HD1 A 27 TRP HE1 1.0 1.761 3.477 753 554 A 27 TRP HZ2 A 27 TRP HE1 1.0 1.764 3.490 754 555 A 17 VAL HGy% A 18 ALA H 1.0 1.613 2.865 755 555 A 17 VAL HGx% A 18 ALA H 1.0 1.613 2.865 756 556 A 18 ALA HB% A 18 ALA H 1.0 1.537 2.613 757 557 A 17 VAL HB A 18 ALA H 1.0 1.740 3.374 758 558 A 17 VAL HA A 18 ALA H 1.0 1.521 2.563 759 559 A 18 ALA HA A 18 ALA H 1.0 1.713 3.257 760 560 A 18 ALA H A 19 LEU H 1.0 1.873 4.113 761 561 A 46 LEU HDy% A 59 ALA H 1.0 1.802 3.682 762 562 A 59 ALA HB% A 59 ALA H 1.0 1.583 2.761 763 563 A 58 ASP HBy A 59 ALA H 1.0 1.768 3.508 764 564 A 56 ASP HBy A 59 ALA H 1.0 1.868 4.074 765 565 A 59 ALA HA A 59 ALA H 1.0 1.762 3.478 766 566 A 57 ASN HA A 59 ALA H 1.0 1.902 4.320 767 567 A 58 ASP HA A 59 ALA H 1.0 1.840 3.896 768 568 A 59 ALA H A 60 VAL H 1.0 1.696 3.186 769 569 A 59 ALA H A 58 ASP H 1.0 1.641 2.971 770 570 A 72 MET HBx A 73 ALA H 1.0 1.648 2.998 771 571 A 72 MET HGx A 73 ALA H 1.0 1.847 3.935 772 572 A 73 ALA HA A 73 ALA H 1.0 1.550 2.654 773 573 A 74 ASN HA A 73 ALA H 1.0 1.856 4.000 774 574 A 15 ARG HGx A 13 ARG H 1.0 1.770 3.516 775 575 A 13 ARG HBy A 13 ARG H 1.0 1.841 3.899 776 576 A 12 TYR HBy A 13 ARG H 1.0 1.844 3.924 777 576 A 12 TYR HBx A 13 ARG H 1.0 1.844 3.924 778 577 A 15 ARG HDy A 13 ARG H 1.0 1.890 4.236 779 577 A 15 ARG HDx A 13 ARG H 1.0 1.890 4.236 780 578 A 12 TYR HA A 13 ARG H 1.0 1.714 3.262 781 579 A 13 ARG HA A 13 ARG H 1.0 1.790 3.618 782 580 A 70 THR HG2% A 71 LYS H 1.0 1.679 3.117 783 581 A 71 LYS HGy A 71 LYS H 1.0 1.656 3.026 784 581 A 71 LYS HGx A 71 LYS H 1.0 1.656 3.026 785 582 A 65 TRP HBx A 65 TRP H 1.0 1.772 3.526 786 583 A 65 TRP HBy A 65 TRP H 1.0 1.755 3.447 787 584 A 71 LYS H A 70 THR H 1.0 1.701 3.205 788 585 A 65 TRP H A 66 TRP H 1.0 1.781 3.573 789 586 A 71 LYS H A 72 MET H 1.0 1.681 3.121 790 587 A 40 VAL HGx% A 40 VAL H 1.0 1.827 3.825 791 588 A 40 VAL HGy% A 40 VAL H 1.0 1.734 3.348 792 589 A 40 VAL HB A 40 VAL H 1.0 1.775 3.541 793 590 A 59 ALA HB% A 50 ALA H 1.0 1.762 3.478 794 591 A 50 ALA HB% A 50 ALA H 1.0 1.573 2.733 795 592 A 49 ARG HBx A 50 ALA H 1.0 1.867 4.067 796 593 A 49 ARG HBy A 50 ALA H 1.0 1.767 3.503 797 594 A 39 SER HBx A 40 VAL H 1.0 1.799 3.661 798 595 A 39 SER HBy A 40 VAL H 1.0 1.821 3.785 799 596 A 39 SER HA A 40 VAL H 1.0 1.706 3.228 800 597 A 50 ALA H A 52 LEU H 1.0 1.860 4.022 801 598 A 27 TRP HZ2 A 40 VAL H 1.0 1.842 3.910 802 599 A 50 ALA H A 49 ARG H 1.0 1.711 3.247 803 600 A 43 PHE HA A 43 PHE H 1.0 1.842 3.912 804 601 A 42 ASP HA A 43 PHE H 1.0 1.903 4.331 805 602 A 27 TRP HD1 A 43 PHE H 1.0 1.888 4.214 806 603 A 43 PHE HDy A 43 PHE H 1.0 1.911 4.399 807 603 A 43 PHE HDx A 43 PHE H 1.0 1.911 4.399 808 604 A 43 PHE H A 42 ASP H 1.0 1.768 3.508 809 605 A 18 ALA HB% A 19 LEU H 1.0 1.676 3.104 810 606 A 19 LEU HBx A 19 LEU H 1.0 1.774 3.536 811 607 A 19 LEU HBy A 19 LEU H 1.0 1.722 3.298 812 608 A 46 LEU HDy% A 62 PHE H 1.0 1.884 4.190 813 609 A 46 LEU HDx% A 62 PHE H 1.0 1.885 4.197 814 610 A 46 LEU HBy A 62 PHE H 1.0 1.892 4.244 815 611 A 62 PHE H A 61 LYS HBx 1.0 1.888 4.214 816 612 A 61 LYS HBy A 62 PHE H 1.0 1.874 4.116 817 613 A 62 PHE HBy A 62 PHE H 1.0 1.769 3.509 818 613 A 62 PHE HBx A 62 PHE H 1.0 1.769 3.509 819 614 A 59 ALA HA A 62 PHE H 1.0 1.885 4.195 820 615 A 61 LYS HA A 62 PHE H 1.0 1.881 4.167 821 616 A 62 PHE HA A 62 PHE H 1.0 1.788 3.610 822 617 A 62 PHE HDy A 62 PHE H 1.0 1.873 4.111 823 617 A 62 PHE HDx A 62 PHE H 1.0 1.873 4.111 824 618 A 29 GLU HA A 29 GLU H 1.0 1.846 3.936 825 619 A 29 GLU H A 28 ARG H 1.0 1.896 4.282 826 620 A 26 GLU H A 26 GLU HBy 1.0 1.679 3.113 827 621 A 26 GLU H A 25 ASP HBx 1.0 1.708 3.232 828 622 A 26 GLU H A 25 ASP HBy 1.0 1.810 3.722 829 623 A 25 ASP HA A 26 GLU H 1.0 1.916 4.444 830 624 A 70 THR HG2% A 72 MET H 1.0 1.866 4.060 831 625 A 72 MET HGy A 72 MET H 1.0 1.691 3.163 832 626 A 70 THR HB A 72 MET H 1.0 1.807 3.705 833 627 A 72 MET HA A 72 MET H 1.0 1.591 2.793 834 628 A 36 LEU HDy% A 37 ASP H 1.0 1.831 3.841 835 629 A 36 LEU HDx% A 37 ASP H 1.0 1.680 3.122 836 630 A 37 ASP H A 38 LEU HDy% 1.0 1.859 4.019 837 631 A 36 LEU HBy A 37 ASP H 1.0 1.677 3.109 838 632 A 37 ASP HBx A 37 ASP H 1.0 1.728 3.320 839 633 A 37 ASP HBy A 37 ASP H 1.0 1.720 3.286 840 634 A 36 LEU HA A 37 ASP H 1.0 1.593 2.797 841 635 A 37 ASP HA A 37 ASP H 1.0 1.735 3.353 842 636 A 37 ASP H A 38 LEU H 1.0 1.835 3.867 843 637 A 66 TRP HBx A 66 TRP H 1.0 1.827 3.815 844 638 A 65 TRP HBy A 66 TRP H 1.0 1.916 4.446 845 639 A 65 TRP HBx A 66 TRP H 1.0 1.884 4.190 846 640 A 65 TRP HE3 A 66 TRP H 1.0 1.853 3.975 847 641 A 38 LEU HBx A 39 SER H 1.0 1.808 3.710 848 642 A 42 ASP HBx A 39 SER H 1.0 1.883 4.183 849 643 A 39 SER HBx A 39 SER H 1.0 1.873 4.111 850 644 A 39 SER HBy A 39 SER H 1.0 1.843 3.919 851 645 A 38 LEU HA A 39 SER H 1.0 1.630 2.932 852 646 A 20 THR HG2% A 21 ASP H 1.0 1.773 3.531 853 647 A 21 ASP H A 21 ASP HBx 1.0 1.788 3.606 854 648 A 21 ASP HBy A 21 ASP H 1.0 1.806 3.706 855 649 A 20 THR HB A 21 ASP H 1.0 1.771 3.523 856 650 A 29 GLU HBx A 30 HIS H 1.0 1.873 4.109 857 651 A 30 HIS HBx A 30 HIS H 1.0 1.868 4.076 858 652 A 30 HIS HBy A 30 HIS H 1.0 1.886 4.206 859 653 A 30 HIS HA A 30 HIS H 1.0 1.877 4.135 860 654 A 51 ALA HB% A 51 ALA H 1.0 1.522 2.566 861 655 A 50 ALA HA A 51 ALA H 1.0 1.829 3.833 862 656 A 51 ALA HA A 51 ALA H 1.0 1.690 3.162 863 657 A 52 LEU H A 51 ALA H 1.0 1.700 3.200 864 658 A 50 ALA H A 51 ALA H 1.0 1.735 3.351 865 659 A 54 ALA HB% A 54 ALA H 1.0 1.532 2.600 866 660 A 52 LEU HBy A 54 ALA H 1.0 1.875 4.129 867 661 A 53 GLY HAx A 54 ALA H 1.0 1.780 3.570 868 662 A 49 ARG HA A 54 ALA H 1.0 1.787 3.601 869 663 A 32 ALA HB% A 32 ALA H 1.0 1.560 2.686 870 664 A 31 ASN HBx A 32 ALA H 1.0 1.801 3.675 871 665 A 31 ASN HBy A 32 ALA H 1.0 1.818 3.772 872 666 A 32 ALA H A 31 ASN H 1.0 1.743 3.387 873 667 A 32 ALA H A 33 SER H 1.0 1.741 3.377 874 668 A 38 LEU HDx% A 42 ASP H 1.0 1.884 4.186 875 669 A 41 GLU HBy A 42 ASP H 1.0 1.760 3.468 876 670 A 41 GLU HGy A 42 ASP H 1.0 1.868 4.076 877 671 A 42 ASP HBx A 42 ASP H 1.0 1.744 3.394 878 672 A 42 ASP HBy A 42 ASP H 1.0 1.761 3.475 879 673 A 41 GLU HA A 42 ASP H 1.0 1.898 4.292 880 674 A 42 ASP H A 39 SER H 1.0 1.911 4.401 881 675 A 73 ALA HB% A 76 TYR H 1.0 1.820 3.778 882 676 A 76 TYR HBx A 76 TYR H 1.0 1.455 2.369 883 677 A 73 ALA HA A 76 TYR H 1.0 1.840 3.900 884 678 A 76 TYR HDy A 76 TYR H 1.0 1.611 2.861 885 678 A 76 TYR HDx A 76 TYR H 1.0 1.611 2.861 886 679 A 76 TYR H A 75 ASP H 1.0 1.606 2.846 887 680 A 17 VAL HGy% A 17 VAL H 1.0 1.565 2.705 888 680 A 17 VAL HGx% A 17 VAL H 1.0 1.565 2.705 889 681 A 17 VAL H A 16 GLY HAx 1.0 1.695 3.183 890 682 A 17 VAL HA A 17 VAL H 1.0 1.711 3.247 891 683 A 17 VAL H A 15 ARG HA 1.0 1.878 4.142 892 684 A 44 LEU HDy% A 44 LEU H 1.0 1.688 3.150 893 685 A 44 LEU HBx A 44 LEU H 1.0 1.812 3.736 894 686 A 50 ALA HB% A 63 ARG H 1.0 1.822 3.786 895 687 A 44 LEU HG A 44 LEU H 1.0 1.703 3.217 896 688 A 63 ARG HBy A 63 ARG H 1.0 1.763 3.487 897 689 A 19 LEU HG A 24 TYR H 1.0 1.879 4.157 898 690 A 23 GLU HBx A 24 TYR H 1.0 1.876 4.132 899 691 A 24 TYR HBx A 24 TYR H 1.0 1.812 3.736 900 692 A 59 ALA HB% A 60 VAL H 1.0 1.717 3.271 901 693 A 61 LYS HGx A 61 LYS H 1.0 1.793 3.633 902 694 A 61 LYS HGy A 61 LYS H 1.0 1.702 3.210 903 695 A 61 LYS HBx A 61 LYS H 1.0 1.806 3.704 904 696 A 61 LYS HBy A 61 LYS H 1.0 1.771 3.523 905 697 A 61 LYS HEy A 61 LYS H 1.0 1.827 3.821 906 697 A 61 LYS HEx A 61 LYS H 1.0 1.827 3.821 907 698 A 44 LEU HA A 44 LEU H 1.0 1.825 3.811 908 699 A 62 PHE HBy A 63 ARG H 1.0 1.808 3.714 909 699 A 62 PHE HBx A 63 ARG H 1.0 1.808 3.714 910 700 A 41 GLU HA A 44 LEU H 1.0 1.872 4.104 911 701 A 63 ARG HA A 63 ARG H 1.0 1.735 3.351 912 702 A 62 PHE HA A 63 ARG H 1.0 1.840 3.900 913 703 A 24 TYR HBy A 24 TYR H 1.0 1.806 3.702 914 704 A 23 GLU HA A 24 TYR H 1.0 1.877 4.137 915 705 A 24 TYR HA A 24 TYR H 1.0 1.862 4.038 916 706 A 61 LYS HA A 61 LYS H 1.0 1.789 3.611 917 707 A 60 VAL HA A 63 ARG H 1.0 1.863 4.039 918 708 A 43 PHE HDy A 44 LEU H 1.0 1.810 3.728 919 708 A 43 PHE HDx A 44 LEU H 1.0 1.810 3.728 920 709 A 62 PHE H A 63 ARG H 1.0 1.804 3.692 921 710 A 24 TYR H A 23 GLU H 1.0 1.880 4.162 922 711 A 24 TYR H A 25 ASP H 1.0 1.768 3.508 923 712 A 62 PHE H A 61 LYS H 1.0 1.720 3.288 924 713 A 69 ARG HGy A 69 ARG H 1.0 1.711 3.245 925 714 A 69 ARG HBx A 69 ARG H 1.0 1.735 3.355 926 715 A 70 THR H A 69 ARG H 1.0 1.799 3.665 927 716 A 57 ASN HBx A 57 ASN H 1.0 1.746 3.402 928 717 A 57 ASN HA A 57 ASN H 1.0 1.836 3.872 929 718 A 56 ASP HA A 57 ASN H 1.0 1.750 3.420 930 719 A 40 VAL HGy% A 41 GLU H 1.0 1.914 4.430 931 720 A 40 VAL HGx% A 41 GLU H 1.0 1.806 3.700 932 721 A 40 VAL HB A 41 GLU H 1.0 1.859 4.015 933 722 A 41 GLU HBy A 41 GLU H 1.0 1.746 3.402 934 723 A 41 GLU HGx A 41 GLU H 1.0 1.838 3.882 935 724 A 41 GLU HGy A 41 GLU H 1.0 1.864 4.052 936 725 A 41 GLU HA A 41 GLU H 1.0 1.816 3.754 937 726 A 39 SER HBy A 41 GLU H 1.0 1.879 4.155 938 727 A 42 ASP H A 41 GLU H 1.0 1.795 3.647 939 728 A 49 ARG HGx A 49 ARG HE 1.0 1.906 4.360 940 729 A 54 ALA HA A 55 ASP H 1.0 1.530 2.590 941 730 A 55 ASP HA A 55 ASP H 1.0 1.781 3.569 942 731 A 22 ASP H A 22 ASP HBy 1.0 1.669 3.079 943 732 A 20 THR HG2% A 22 ASP H 1.0 1.833 3.857 944 733 A 23 GLU H A 22 ASP H 1.0 1.792 3.630 945 734 A 21 ASP H A 22 ASP H 1.0 1.767 3.503 946 735 A 74 ASN HBy A 74 ASN H 1.0 1.556 2.672 947 735 A 74 ASN HBx A 74 ASN H 1.0 1.556 2.672 948 736 A 73 ALA HA A 74 ASN H 1.0 1.482 2.446 949 737 A 74 ASN HA A 74 ASN H 1.0 1.579 2.751 950 738 A 73 ALA H A 74 ASN H 1.0 1.684 3.136 951 739 A 46 LEU HDy% A 49 ARG HE 1.0 1.806 3.700 952 740 A 49 ARG HGy A 49 ARG HE 1.0 1.854 3.984 953 741 A 49 ARG HDy A 49 ARG HE 1.0 1.865 4.055 954 742 A 55 ASP HBx A 55 ASP H 1.0 1.648 2.994 955 743 A 58 ASP HA A 58 ASP H 1.0 1.692 3.168 956 744 A 58 ASP H A 57 ASN H 1.0 1.835 3.863 957 745 A 36 LEU HDy% A 36 LEU H 1.0 1.894 4.260 958 746 A 36 LEU HDx% A 36 LEU H 1.0 1.826 3.812 959 747 A 36 LEU HG A 36 LEU H 1.0 1.779 3.563 960 748 A 34 ARG HBx A 36 LEU H 1.0 1.900 4.318 961 749 A 35 LYS HA A 36 LEU H 1.0 1.735 3.353 962 750 A 31 ASN HA A 36 LEU H 1.0 1.789 3.615 963 751 A 36 LEU HA A 36 LEU H 1.0 1.852 3.968 964 752 A 36 LEU H A 35 LYS H 1.0 1.757 3.457 965 753 A 37 ASP H A 36 LEU H 1.0 1.888 4.218 966 754 A 47 ARG HBx A 47 ARG H 1.0 1.689 3.155 967 755 A 44 LEU HBx A 45 MET H 1.0 1.875 4.125 968 756 A 46 LEU HBx A 47 ARG H 1.0 1.847 3.937 969 757 A 46 LEU HBy A 47 ARG H 1.0 1.857 4.003 970 758 A 47 ARG HA A 47 ARG H 1.0 1.746 3.406 971 759 A 48 HIS HBy A 47 ARG H 1.0 1.914 4.426 972 759 A 48 HIS HBx A 47 ARG H 1.0 1.914 4.426 973 760 A 44 LEU HA A 47 ARG H 1.0 1.895 4.267 974 761 A 46 LEU HA A 47 ARG H 1.0 1.876 4.130 975 762 A 45 MET HBy A 45 MET H 1.0 1.654 3.020 976 762 A 45 MET HBx A 45 MET H 1.0 1.654 3.020 977 763 A 45 MET HGx A 45 MET H 1.0 1.795 3.645 978 764 A 45 MET HGy A 45 MET H 1.0 1.761 3.473 979 765 A 44 LEU HA A 45 MET H 1.0 1.882 4.178 980 766 A 45 MET HA A 45 MET H 1.0 1.766 3.498 981 767 A 42 ASP HA A 45 MET H 1.0 1.844 3.924 982 768 A 62 PHE HDy A 47 ARG H 1.0 1.896 4.282 983 768 A 62 PHE HDx A 47 ARG H 1.0 1.896 4.282 984 769 A 45 MET H A 46 LEU H 1.0 1.742 3.386 985 770 A 44 LEU H A 45 MET H 1.0 1.790 3.622 986 771 A 47 ARG HGy A 48 HIS H 1.0 1.842 3.906 987 772 A 48 HIS HBy A 48 HIS H 1.0 1.655 3.023 988 772 A 48 HIS HBx A 48 HIS H 1.0 1.655 3.023 989 773 A 48 HIS HA A 48 HIS H 1.0 1.725 3.307 990 774 A 35 LYS HA A 35 LYS H 1.0 1.798 3.662 991 775 A 60 VAL HGx% A 56 ASP H 1.0 1.804 3.694 992 776 A 56 ASP H A 56 ASP HBx 1.0 1.710 3.246 993 777 A 56 ASP HBy A 56 ASP H 1.0 1.699 3.197 994 778 A 56 ASP HA A 56 ASP H 1.0 1.676 3.104 995 779 A 55 ASP HA A 56 ASP H 1.0 1.756 3.448 996 780 A 55 ASP H A 56 ASP H 1.0 1.592 2.794 997 781 A 52 LEU HDx% A 52 LEU H 1.0 1.781 3.573 998 782 A 52 LEU HDy% A 52 LEU H 1.0 1.772 3.524 999 783 A 52 LEU HBy A 52 LEU H 1.0 1.648 2.996 1000 784 A 52 LEU HG A 52 LEU H 1.0 1.622 2.902 1001 785 A 31 ASN HBx A 31 ASN H 1.0 1.832 3.850 1002 786 A 30 HIS HBx A 31 ASN H 1.0 1.884 4.186 1003 787 A 31 ASN HBy A 31 ASN H 1.0 1.815 3.753 1004 788 A 31 ASN HA A 31 ASN H 1.0 1.830 3.836 1005 789 A 37 ASP HA A 38 LEU H 1.0 1.882 4.176 1006 790 A 28 ARG HGx A 28 ARG H 1.0 1.912 4.406 1007 791 A 49 ARG HGx A 49 ARG H 1.0 1.750 3.422 1008 792 A 49 ARG HDy A 49 ARG H 1.0 1.891 4.239 1009 793 A 49 ARG HA A 49 ARG H 1.0 1.752 3.432 1010 794 A 28 ARG H A 28 ARG HE 1.0 1.864 4.048 1011 795 A 27 TRP HE3 A 28 ARG H 1.0 1.917 4.451 1012 796 A 49 ARG H A 48 HIS H 1.0 1.763 3.485 1013 797 A 28 ARG H A 27 TRP H 1.0 1.864 4.050 1014 798 A 67 ASN HBy A 67 ASN H 1.0 1.604 2.836 1015 798 A 67 ASN HBx A 67 ASN H 1.0 1.604 2.836 1016 799 A 66 TRP HBy A 67 ASN H 1.0 1.755 3.441 1017 800 A 63 ARG HA A 67 ASN H 1.0 1.833 3.855 1018 801 A 67 ASN HA A 67 ASN H 1.0 1.653 3.013 1019 802 A 67 ASN H A 67 ASN HD2x 1.0 1.806 3.700 1020 803 A 66 TRP H A 67 ASN H 1.0 1.780 3.564 1021 804 A 20 THR HG2% A 20 THR H 1.0 1.808 3.718 1022 805 A 19 LEU HA A 20 THR H 1.0 1.838 3.884 1023 806 A 67 ASN HBy A 68 SER H 1.0 1.696 3.184 1024 806 A 67 ASN HBx A 68 SER H 1.0 1.696 3.184 1025 807 A 66 TRP HA A 68 SER H 1.0 1.860 4.026 1026 808 A 68 SER HBy A 68 SER H 1.0 1.572 2.726 1027 808 A 68 SER HBx A 68 SER H 1.0 1.572 2.726 1028 809 A 69 ARG H A 68 SER H 1.0 1.602 2.828 1029 810 A 70 THR H A 68 SER H 1.0 1.865 4.055 1030 811 A 67 ASN H A 68 SER H 1.0 1.657 3.029 1031 812 A 66 TRP H A 68 SER H 1.0 1.875 4.123 1032 813 A 69 ARG HGy A 70 THR H 1.0 1.615 2.873 1033 814 A 69 ARG HBx A 70 THR H 1.0 1.783 3.585 1034 815 A 69 ARG HBy A 70 THR H 1.0 1.755 3.443 1035 816 A 11 THR H A 10 GLY HAy 1.0 1.615 2.873 1036 816 A 11 THR H A 10 GLY HAx 1.0 1.615 2.873 1037 817 A 11 THR HB A 11 THR H 1.0 1.724 3.302 1038 818 A 11 THR HA A 11 THR H 1.0 1.779 3.565 1039 819 A 11 THR H A 12 TYR H 1.0 1.824 3.806 1040 820 A 11 THR H A 10 GLY H1 1.0 1.817 3.763 1041 821 A 69 ARG HGy A 68 SER H 1.0 1.867 4.069 1042 822 A 63 ARG HBx A 64 SER H 1.0 1.783 3.585 1043 823 A 63 ARG HBy A 64 SER H 1.0 1.772 3.526 1044 824 A 63 ARG HDx A 64 SER H 1.0 1.867 4.065 1045 825 A 63 ARG HDy A 64 SER H 1.0 1.863 4.043 1046 826 A 64 SER H A 64 SER HBy 1.0 1.508 2.526 1047 826 A 64 SER H A 64 SER HBx 1.0 1.508 2.526 1048 827 A 64 SER HA A 64 SER H 1.0 1.639 2.963 1049 828 A 65 TRP H A 64 SER H 1.0 1.701 3.207 1050 829 A 62 PHE H A 64 SER H 1.0 1.902 4.326 1051 830 A 63 ARG H A 64 SER H 1.0 1.686 3.148 1052 831 A 57 ASN HBx A 57 ASN HD2y 1.0 1.755 3.445 1053 832 A 58 ASP HA A 57 ASN HD2y 1.0 1.884 4.190 1054 833 A 57 ASN HD2y A 57 ASN HD2x 1.0 1.322 2.022 1055 834 A 74 ASN HBy A 74 ASN HD2y 1.0 1.576 2.740 1056 834 A 74 ASN HBx A 74 ASN HD2y 1.0 1.576 2.740 1057 835 A 74 ASN HD2y A 74 ASN HD2x 1.0 1.221 1.787 1058 836 A 63 ARG HGy A 67 ASN HD2y 1.0 1.888 4.224 1059 837 A 67 ASN HBy A 67 ASN HD2y 1.0 1.702 3.210 1060 837 A 67 ASN HBx A 67 ASN HD2y 1.0 1.702 3.210 1061 838 A 67 ASN HA A 67 ASN HD2y 1.0 1.840 3.902 1062 839 A 67 ASN H A 67 ASN HD2y 1.0 1.899 4.299 1063 840 A 32 ALA HB% A 33 SER H 1.0 1.814 3.750 1064 841 A 33 SER HBy A 33 SER H 1.0 1.816 3.758 1065 842 A 67 ASN HBy A 67 ASN HD2x 1.0 1.748 3.412 1066 842 A 67 ASN HBx A 67 ASN HD2x 1.0 1.748 3.412 1067 843 A 67 ASN HA A 67 ASN HD2x 1.0 1.874 4.122 1068 844 A 63 ARG HGy A 67 ASN HD2x 1.0 1.895 4.273 1069 845 A 67 ASN HD2x A 67 ASN HD2y 1.0 1.426 2.286 1070 846 A 15 ARG HA A 16 GLY H 1.0 1.757 3.455 1071 847 A 17 VAL H A 16 GLY H 1.0 1.819 3.777 1072 848 A 41 GLU HA A 14 GLY H 1.0 1.773 3.529 1073 849 A 13 ARG HA A 14 GLY H 1.0 1.818 3.770 1074 850 A 54 ALA HB% A 53 GLY H 1.0 1.811 3.727 1075 851 A 52 LEU HBy A 53 GLY H 1.0 1.836 3.878 1076 852 A 52 LEU HDy% A 53 GLY H 1.0 1.920 4.480 1077 853 A 53 GLY HAx A 53 GLY H 1.0 1.687 3.151 1078 854 A 49 ARG HA A 53 GLY H 1.0 1.892 4.246 1079 855 A 53 GLY HAy A 53 GLY H 1.0 1.655 3.021 1080 856 A 52 LEU H A 53 GLY H 1.0 1.697 3.193 1081 857 A 61 LYS HDy A 57 ASN HD2y 1.0 1.908 4.376 1082 857 A 61 LYS HDx A 57 ASN HD2y 1.0 1.908 4.376 1083 858 A 61 LYS HDy A 57 ASN HD2x 1.0 1.851 3.963 1084 858 A 61 LYS HDx A 57 ASN HD2x 1.0 1.851 3.963 1085 859 A 57 ASN HBy A 57 ASN HD2x 1.0 1.850 3.956 1086 860 A 61 LYS HEy A 57 ASN HD2x 1.0 1.916 4.450 1087 860 A 61 LYS HEx A 57 ASN HD2x 1.0 1.916 4.450 1088 861 A 74 ASN HBy A 74 ASN HD2x 1.0 1.755 3.443 1089 861 A 74 ASN HBx A 74 ASN HD2x 1.0 1.755 3.443 1090 862 A 47 ARG HDy A 47 ARG HE 1.0 1.882 4.176 1091 862 A 47 ARG HDx A 47 ARG HE 1.0 1.882 4.176 1092 863 A 63 ARG HBy A 63 ARG HE 1.0 1.943 4.711 1093 864 A 63 ARG HDx A 63 ARG HE 1.0 1.951 4.799 1094 865 A 64 SER H A 63 ARG HE 1.0 1.949 4.767 1095 866 A 69 ARG HBy A 69 ARG HE 1.0 1.857 4.005 1096 867 A 69 ARG HBx A 69 ARG HE 1.0 1.858 4.010 1097 868 A 38 LEU HG A 42 ASP HBx 1.0 1.774 3.538 1098 868 A 38 LEU HDx% A 42 ASP HBx 1.0 1.774 3.538 1099 869 A 24 TYR HEy A 24 TYR HBx 1.0 1.882 4.174 1100 869 A 24 TYR HEx A 24 TYR HBx 1.0 1.882 4.174 1101 869 A 76 TYR HBy A 76 TYR HEy 1.0 1.882 4.174 1102 869 A 76 TYR HBy A 76 TYR HEx 1.0 1.882 4.174 1103 870 A 43 PHE HBy A 42 ASP HBx 1.0 1.922 4.496 1104 870 A 43 PHE HBy A 40 VAL HA 1.0 1.922 4.496 1105 871 A 57 ASN HA A 57 ASN HBy 1.0 1.482 2.446 1106 871 A 12 TYR HBy A 12 TYR HA 1.0 1.482 2.446 1107 871 A 12 TYR HBx A 12 TYR HA 1.0 1.482 2.446 1108 872 A 12 TYR HBy A 17 VAL HA 1.0 1.835 3.869 1109 872 A 12 TYR HBx A 17 VAL HA 1.0 1.835 3.869 1110 872 A 12 TYR HBy A 11 THR HB 1.0 1.835 3.869 1111 872 A 12 TYR HBx A 11 THR HB 1.0 1.835 3.869 1112 873 A 29 GLU HGx A 66 TRP HH2 1.0 1.782 3.576 1113 873 A 29 GLU HGx A 65 TRP HZ2 1.0 1.782 3.576 1114 874 A 29 GLU HGx A 33 SER HBx 1.0 1.717 3.273 1115 874 A 29 GLU HGx A 29 GLU HA 1.0 1.717 3.273 1116 875 A 29 GLU HGx A 33 SER HBy 1.0 1.847 3.939 1117 875 A 29 GLU HGx A 26 GLU HA 1.0 1.847 3.939 1118 876 A 24 TYR HBx A 19 LEU HDy% 1.0 1.828 3.824 1119 876 A 24 TYR HBx A 44 LEU HDy% 1.0 1.828 3.824 1120 877 A 12 TYR HBx A 15 ARG HBx 1.0 1.865 4.053 1121 877 A 61 LYS HDx A 57 ASN HBy 1.0 1.865 4.053 1122 877 A 12 TYR HBx A 13 ARG HBy 1.0 1.865 4.053 1123 877 A 12 TYR HBy A 15 ARG HBx 1.0 1.865 4.053 1124 877 A 61 LYS HDy A 57 ASN HBy 1.0 1.865 4.053 1125 877 A 12 TYR HBy A 13 ARG HBy 1.0 1.865 4.053 1126 878 A 60 VAL HGy% A 57 ASN HBy 1.0 1.741 3.381 1127 878 A 60 VAL HGx% A 57 ASN HBy 1.0 1.741 3.381 1128 879 A 48 HIS HBx A 52 LEU HG 1.0 1.962 4.926 1129 879 A 48 HIS HBy A 52 LEU HG 1.0 1.962 4.926 1130 879 A 48 HIS HBy A 49 ARG HGx 1.0 1.962 4.926 1131 879 A 48 HIS HBx A 49 ARG HGx 1.0 1.962 4.926 1132 880 A 48 HIS HBy A 44 LEU HDy% 1.0 1.904 4.346 1133 880 A 48 HIS HBx A 47 ARG HBx 1.0 1.904 4.346 1134 880 A 48 HIS HBy A 47 ARG HBx 1.0 1.904 4.346 1135 880 A 48 HIS HBy A 19 LEU HDy% 1.0 1.904 4.346 1136 880 A 48 HIS HBx A 44 LEU HDy% 1.0 1.904 4.346 1137 880 A 48 HIS HBx A 44 LEU HDx% 1.0 1.904 4.346 1138 880 A 48 HIS HBx A 19 LEU HDy% 1.0 1.904 4.346 1139 880 A 48 HIS HBy A 44 LEU HDx% 1.0 1.904 4.346 1140 881 A 66 TRP HBx A 62 PHE HEy 1.0 1.856 3.994 1141 881 A 66 TRP HBx A 62 PHE HEx 1.0 1.856 3.994 1142 881 A 66 TRP HBx A 66 TRP HD1 1.0 1.856 3.994 1143 882 A 73 ALA HB% A 72 MET HGy 1.0 1.927 4.547 1144 882 A 72 MET HGy A 51 ALA HB% 1.0 1.927 4.547 1145 882 A 72 MET HGy A 71 LYS HGy 1.0 1.927 4.547 1146 882 A 72 MET HGy A 71 LYS HGx 1.0 1.927 4.547 1147 883 A 72 MET HGx A 71 LYS HGy 1.0 1.919 4.475 1148 883 A 72 MET HGx A 51 ALA HB% 1.0 1.919 4.475 1149 883 A 73 ALA HB% A 72 MET HGx 1.0 1.919 4.475 1150 883 A 72 MET HGx A 71 LYS HGx 1.0 1.919 4.475 1151 884 A 72 MET HGx A 47 ARG HBx 1.0 1.927 4.545 1152 884 A 44 LEU HDy% A 45 MET HGx 1.0 1.927 4.545 1153 884 A 44 LEU HDx% A 45 MET HGx 1.0 1.927 4.545 1154 885 A 46 LEU HA A 45 MET HGx 1.0 1.976 5.144 1155 885 A 41 GLU HA A 45 MET HGx 1.0 1.976 5.144 1156 886 A 17 VAL HGy% A 45 MET HGy 1.0 1.933 4.603 1157 886 A 45 MET HGy A 44 LEU HDy% 1.0 1.933 4.603 1158 886 A 17 VAL HGx% A 45 MET HGy 1.0 1.933 4.603 1159 886 A 45 MET HGy A 44 LEU HDx% 1.0 1.933 4.603 1160 887 A 60 VAL HB A 57 ASN HBy 1.0 1.918 4.466 1161 887 A 60 VAL HB A 55 ASP HBy 1.0 1.918 4.466 1162 888 A 60 VAL HGy% A 60 VAL HB 1.0 1.437 2.319 1163 888 A 60 VAL HB A 60 VAL HGx% 1.0 1.437 2.319 1164 889 A 72 MET HGy A 72 MET HBy 1.0 1.537 2.615 1165 889 A 72 MET HBx A 72 MET HGy 1.0 1.537 2.615 1166 890 A 63 ARG HBx A 63 ARG HDy 1.0 1.798 3.664 1167 890 A 60 VAL HA A 63 ARG HBx 1.0 1.798 3.664 1168 891 A 43 PHE HZ A 27 TRP HBy 1.0 1.882 4.172 1169 891 A 43 PHE HZ A 26 GLU HBx 1.0 1.882 4.172 1170 891 A 43 PHE HZ A 26 GLU HBy 1.0 1.882 4.172 1171 892 A 43 PHE HEx A 27 TRP HBy 1.0 1.869 4.081 1172 892 A 43 PHE HEy A 23 GLU HBx 1.0 1.869 4.081 1173 892 A 43 PHE HEy A 27 TRP HBx 1.0 1.869 4.081 1174 892 A 43 PHE HEx A 23 GLU HBx 1.0 1.869 4.081 1175 892 A 43 PHE HEx A 27 TRP HBx 1.0 1.869 4.081 1176 892 A 43 PHE HEy A 27 TRP HBy 1.0 1.869 4.081 1177 892 A 43 PHE HEy A 26 GLU HBy 1.0 1.869 4.081 1178 892 A 43 PHE HEx A 26 GLU HBy 1.0 1.869 4.081 1179 893 A 22 ASP HA A 26 GLU HBy 1.0 1.940 4.668 1180 893 A 75 ASP HA A 23 GLU HBx 1.0 1.940 4.668 1181 893 A 23 GLU HBx A 22 ASP HA 1.0 1.940 4.668 1182 894 A 66 TRP HH2 A 29 GLU HBy 1.0 1.820 3.782 1183 894 A 29 GLU HBx A 66 TRP HH2 1.0 1.820 3.782 1184 895 A 32 ALA HB% A 29 GLU HBx 1.0 1.877 4.135 1185 895 A 32 ALA HB% A 29 GLU HBy 1.0 1.877 4.135 1186 896 A 26 GLU HA A 26 GLU HBx 1.0 1.694 3.178 1187 896 A 23 GLU HA A 26 GLU HBy 1.0 1.694 3.178 1188 896 A 23 GLU HA A 23 GLU HBx 1.0 1.694 3.178 1189 897 A 30 HIS HBy A 26 GLU HBx 1.0 1.825 3.811 1190 897 A 23 GLU HGy A 23 GLU HBx 1.0 1.825 3.811 1191 897 A 23 GLU HBx A 22 ASP HBy 1.0 1.825 3.811 1192 898 A 57 ASN HBx A 61 LYS HDx 1.0 1.778 3.554 1193 898 A 57 ASN HBx A 61 LYS HDy 1.0 1.778 3.554 1194 898 A 28 ARG HDy A 28 ARG HBy 1.0 1.778 3.554 1195 898 A 28 ARG HDx A 28 ARG HBy 1.0 1.778 3.554 1196 899 A 15 ARG HA A 15 ARG HBx 1.0 1.673 3.091 1197 899 A 13 ARG HBy A 13 ARG HA 1.0 1.673 3.091 1198 900 A 72 MET HA A 71 LYS HBx 1.0 1.858 4.010 1199 900 A 67 ASN HA A 71 LYS HBx 1.0 1.858 4.010 1200 901 A 71 LYS HBy A 70 THR HB 1.0 1.965 4.987 1201 901 A 71 LYS HBy A 70 THR HA 1.0 1.965 4.987 1202 902 A 49 ARG HGy A 49 ARG HDy 1.0 1.740 3.376 1203 902 A 49 ARG HDy A 49 ARG HBy 1.0 1.740 3.376 1204 903 A 45 MET HGy A 41 GLU HBy 1.0 1.914 4.432 1205 903 A 41 GLU HBy A 42 ASP HBx 1.0 1.914 4.432 1206 904 A 45 MET HGy A 41 GLU HBx 1.0 1.927 4.545 1207 904 A 41 GLU HBx A 42 ASP HBx 1.0 1.927 4.545 1208 905 A 42 ASP HA A 41 GLU HBy 1.0 1.920 4.480 1209 905 A 39 SER HBy A 41 GLU HBy 1.0 1.920 4.480 1210 906 A 41 GLU HA A 41 GLU HBx 1.0 1.636 2.952 1211 906 A 49 ARG HGy A 46 LEU HA 1.0 1.636 2.952 1212 907 A 49 ARG HGy A 49 ARG HA 1.0 1.657 3.031 1213 907 A 49 ARG HBy A 59 ALA HA 1.0 1.657 3.031 1214 907 A 49 ARG HBy A 49 ARG HA 1.0 1.657 3.031 1215 908 A 42 ASP HA A 41 GLU HBx 1.0 1.960 4.910 1216 908 A 39 SER HBy A 41 GLU HBx 1.0 1.960 4.910 1217 909 A 29 GLU HGy A 29 GLU HBy 1.0 1.657 3.031 1218 909 A 29 GLU HBx A 29 GLU HGy 1.0 1.657 3.031 1219 910 A 69 ARG HBy A 69 ARG HDy 1.0 1.801 3.675 1220 910 A 69 ARG HBy A 69 ARG HDx 1.0 1.801 3.675 1221 911 A 47 ARG HBy A 47 ARG HA 1.0 1.722 3.298 1222 911 A 47 ARG HBy A 47 ARG HDy 1.0 1.722 3.298 1223 911 A 47 ARG HBy A 47 ARG HDx 1.0 1.722 3.298 1224 912 A 62 PHE HDy A 47 ARG HBy 1.0 1.934 4.614 1225 912 A 62 PHE HDx A 47 ARG HBy 1.0 1.934 4.614 1226 912 A 48 HIS HD2 A 47 ARG HBy 1.0 1.934 4.614 1227 913 A 69 ARG HBx A 66 TRP HZ3 1.0 1.983 5.279 1228 913 A 47 ARG HBy A 62 PHE HEy 1.0 1.983 5.279 1229 913 A 47 ARG HBy A 62 PHE HEx 1.0 1.983 5.279 1230 914 A 71 LYS HDx A 68 SER HA 1.0 1.862 4.038 1231 914 A 71 LYS HDy A 68 SER HA 1.0 1.862 4.038 1232 914 A 67 ASN HA A 71 LYS HDy 1.0 1.862 4.038 1233 914 A 67 ASN HA A 71 LYS HDx 1.0 1.862 4.038 1234 915 A 13 ARG HGx A 14 GLY HAx 1.0 1.782 3.576 1235 915 A 15 ARG HGx A 14 GLY HAy 1.0 1.782 3.576 1236 915 A 52 LEU HG A 10 GLY HAx 1.0 1.782 3.576 1237 915 A 13 ARG HGx A 14 GLY HAy 1.0 1.782 3.576 1238 915 A 52 LEU HG A 10 GLY HAy 1.0 1.782 3.576 1239 915 A 15 ARG HGx A 14 GLY HAx 1.0 1.782 3.576 1240 916 A 52 LEU HG A 52 LEU HA 1.0 1.586 2.774 1241 916 A 52 LEU HG A 48 HIS HA 1.0 1.586 2.774 1242 916 A 13 ARG HA A 13 ARG HGx 1.0 1.586 2.774 1243 917 A 61 LYS HDy A 62 PHE HDy 1.0 1.937 4.647 1244 917 A 12 TYR HDx A 15 ARG HBx 1.0 1.937 4.647 1245 917 A 12 TYR HDy A 15 ARG HBx 1.0 1.937 4.647 1246 917 A 13 ARG HBy A 12 TYR HDx 1.0 1.937 4.647 1247 917 A 13 ARG HBy A 12 TYR HDy 1.0 1.937 4.647 1248 917 A 61 LYS HDx A 62 PHE HDy 1.0 1.937 4.647 1249 917 A 61 LYS HDx A 62 PHE HDx 1.0 1.937 4.647 1250 917 A 48 HIS HD2 A 13 ARG HBy 1.0 1.937 4.647 1251 917 A 61 LYS HDy A 62 PHE HDx 1.0 1.937 4.647 1252 918 A 43 PHE HEx A 19 LEU HG 1.0 1.970 5.048 1253 918 A 43 PHE HEy A 19 LEU HG 1.0 1.970 5.048 1254 918 A 19 LEU HG A 24 TYR HDy 1.0 1.970 5.048 1255 918 A 19 LEU HG A 24 TYR HDx 1.0 1.970 5.048 1256 919 A 15 ARG HGy A 17 VAL HA 1.0 1.847 3.941 1257 919 A 13 ARG HGy A 14 GLY HAy 1.0 1.847 3.941 1258 919 A 13 ARG HGy A 14 GLY HAx 1.0 1.847 3.941 1259 920 A 35 LYS HGx A 35 LYS HBx 1.0 1.474 2.424 1260 920 A 35 LYS HGy A 35 LYS HBx 1.0 1.474 2.424 1261 920 A 71 LYS HBy A 71 LYS HGy 1.0 1.474 2.424 1262 920 A 71 LYS HBy A 71 LYS HGx 1.0 1.474 2.424 1263 921 A 38 LEU HG A 39 SER HA 1.0 1.657 3.029 1264 921 A 38 LEU HG A 38 LEU HA 1.0 1.657 3.029 1265 922 A 42 ASP HA A 46 LEU HG 1.0 1.843 3.913 1266 922 A 39 SER HBy A 38 LEU HG 1.0 1.843 3.913 1267 922 A 28 ARG HGx A 25 ASP HA 1.0 1.843 3.913 1268 923 A 28 ARG HBx A 28 ARG HGx 1.0 1.702 3.208 1269 923 A 46 LEU HG A 46 LEU HBy 1.0 1.702 3.208 1270 924 A 69 ARG HGy A 69 ARG HDy 1.0 1.710 3.246 1271 924 A 69 ARG HGy A 69 ARG HDx 1.0 1.710 3.246 1272 924 A 69 ARG HDx A 69 ARG HGx 1.0 1.710 3.246 1273 925 A 69 ARG HA A 69 ARG HGy 1.0 1.756 3.446 1274 925 A 69 ARG HGy A 68 SER HBy 1.0 1.756 3.446 1275 925 A 69 ARG HGy A 68 SER HBx 1.0 1.756 3.446 1276 925 A 69 ARG HA A 69 ARG HGx 1.0 1.756 3.446 1277 926 A 69 ARG HBy A 69 ARG HGy 1.0 1.738 3.368 1278 926 A 69 ARG HBy A 69 ARG HGx 1.0 1.738 3.368 1279 927 A 69 ARG HGy A 66 TRP HA 1.0 1.923 4.509 1280 927 A 66 TRP HA A 69 ARG HGx 1.0 1.923 4.509 1281 928 A 69 ARG HGy A 65 TRP HD1 1.0 1.939 4.659 1282 928 A 69 ARG HGy A 65 TRP HZ2 1.0 1.939 4.659 1283 928 A 69 ARG HGy A 65 TRP HZ3 1.0 1.939 4.659 1284 929 A 48 HIS HE2 A 44 LEU HDx% 1.0 1.928 4.554 1285 929 A 48 HIS HE2 A 19 LEU HDx% 1.0 1.928 4.554 1286 930 A 36 LEU HDy% A 36 LEU HBx 1.0 1.563 2.699 1287 930 A 36 LEU HG A 36 LEU HDy% 1.0 1.563 2.699 1288 931 A 52 LEU HDx% A 48 HIS HA 1.0 1.624 2.906 1289 931 A 52 LEU HDx% A 52 LEU HA 1.0 1.624 2.906 1290 932 A 52 LEU HDx% A 10 GLY HAx 1.0 1.628 2.924 1291 932 A 52 LEU HDx% A 10 GLY HAy 1.0 1.628 2.924 1292 932 A 52 LEU HDx% A 49 ARG HA 1.0 1.628 2.924 1293 933 A 52 LEU HDx% A 52 LEU HBx 1.0 1.432 2.304 1294 933 A 52 LEU HDx% A 52 LEU HBy 1.0 1.432 2.304 1295 934 A 24 TYR HBx A 19 LEU HDy% 1.0 1.845 3.925 1296 934 A 48 HIS HBy A 19 LEU HDy% 1.0 1.845 3.925 1297 934 A 48 HIS HBx A 19 LEU HDy% 1.0 1.845 3.925 1298 935 A 38 LEU HDx% A 42 ASP HBx 1.0 1.599 2.821 1299 935 A 30 HIS HBx A 38 LEU HDy% 1.0 1.599 2.821 1300 936 A 36 LEU HG A 38 LEU HDy% 1.0 1.627 2.919 1301 936 A 60 VAL HGx% A 59 ALA HB% 1.0 1.627 2.919 1302 936 A 46 LEU HBx A 38 LEU HDx% 1.0 1.627 2.919 1303 937 A 38 LEU HDx% A 42 ASP HBy 1.0 1.630 2.932 1304 937 A 60 VAL HGx% A 55 ASP HBy 1.0 1.630 2.932 1305 938 A 20 THR HG2% A 20 THR HA 1.0 1.441 2.329 1306 938 A 75 ASP HA A 20 THR HG2% 1.0 1.441 2.329 1307 939 A 72 MET HBx A 20 THR HG2% 1.0 1.934 4.608 1308 939 A 72 MET HBy A 20 THR HG2% 1.0 1.934 4.608 1309 940 A 11 THR HG2% A 20 THR HA 1.0 1.836 3.876 1310 940 A 75 ASP HA A 11 THR HG2% 1.0 1.836 3.876 1311 941 A 19 LEU HBy A 11 THR HG2% 1.0 1.836 3.872 1312 941 A 19 LEU HG A 11 THR HG2% 1.0 1.836 3.872 1313 942 A 70 THR HG2% A 66 TRP HZ3 1.0 1.868 4.078 1314 942 A 70 THR HG2% A 66 TRP HD1 1.0 1.868 4.078 1315 943 A 70 THR HG2% A 70 THR HA 1.0 1.291 1.947 1316 943 A 70 THR HG2% A 70 THR HB 1.0 1.291 1.947 1317 944 A 46 LEU HDy% A 62 PHE HDy 1.0 1.679 3.117 1318 944 A 48 HIS HD2 A 52 LEU HDy% 1.0 1.679 3.117 1319 944 A 46 LEU HDy% A 62 PHE HDx 1.0 1.679 3.117 1320 945 A 52 LEU HDy% A 10 GLY HAy 1.0 1.524 2.572 1321 945 A 52 LEU HDy% A 10 GLY HAx 1.0 1.524 2.572 1322 945 A 46 LEU HDy% A 59 ALA HA 1.0 1.524 2.572 1323 946 A 52 LEU HDy% A 51 ALA HB% 1.0 1.485 2.455 1324 946 A 46 LEU HDy% A 46 LEU HBx 1.0 1.485 2.455 1325 947 A 43 PHE HEx A 44 LEU HDy% 1.0 1.717 3.277 1326 947 A 24 TYR HDx A 44 LEU HDy% 1.0 1.717 3.277 1327 947 A 43 PHE HEy A 44 LEU HDy% 1.0 1.717 3.277 1328 947 A 24 TYR HDy A 44 LEU HDy% 1.0 1.717 3.277 1329 948 A 36 LEU HDx% A 33 SER HBy 1.0 1.847 3.935 1330 948 A 23 GLU HA A 44 LEU HDy% 1.0 1.847 3.935 1331 948 A 44 LEU HDy% A 27 TRP HA 1.0 1.847 3.935 1332 948 A 36 LEU HDx% A 27 TRP HA 1.0 1.847 3.935 1333 948 A 36 LEU HDx% A 34 ARG HA 1.0 1.847 3.935 1334 948 A 11 THR HB A 44 LEU HDy% 1.0 1.847 3.935 1335 949 A 36 LEU HDx% A 38 LEU HA 1.0 1.918 4.460 1336 949 A 36 LEU HDx% A 36 LEU HA 1.0 1.918 4.460 1337 950 A 24 TYR HBx A 44 LEU HDy% 1.0 1.868 4.078 1338 950 A 30 HIS HA A 36 LEU HDx% 1.0 1.868 4.078 1339 950 A 13 ARG HDy A 44 LEU HDy% 1.0 1.868 4.078 1340 950 A 13 ARG HDx A 44 LEU HDy% 1.0 1.868 4.078 1341 951 A 44 LEU HDy% A 27 TRP HBx 1.0 1.748 3.412 1342 951 A 44 LEU HDy% A 27 TRP HBy 1.0 1.748 3.412 1343 952 A 17 VAL HGx% A 18 ALA HA 1.0 1.760 3.470 1344 952 A 17 VAL HGy% A 18 ALA HA 1.0 1.760 3.470 1345 952 A 17 VAL HGy% A 12 TYR HA 1.0 1.760 3.470 1346 952 A 17 VAL HGx% A 12 TYR HA 1.0 1.760 3.470 1347 953 A 41 GLU HA A 17 VAL HGx% 1.0 1.745 3.397 1348 953 A 41 GLU HA A 17 VAL HGy% 1.0 1.745 3.397 1349 953 A 17 VAL HGx% A 16 GLY HAx 1.0 1.745 3.397 1350 953 A 17 VAL HGy% A 16 GLY HAx 1.0 1.745 3.397 1351 954 A 17 VAL HGy% A 13 ARG HGy 1.0 1.664 3.056 1352 954 A 17 VAL HGx% A 15 ARG HGy 1.0 1.664 3.056 1353 954 A 17 VAL HGx% A 13 ARG HGy 1.0 1.664 3.056 1354 954 A 17 VAL HGy% A 15 ARG HGy 1.0 1.664 3.056 1355 955 A 40 VAL HGx% A 24 TYR HA 1.0 1.984 5.294 1356 955 A 40 VAL HGx% A 18 ALA HA 1.0 1.984 5.294 1357 956 A 40 VAL HGx% A 39 SER HA 1.0 1.963 4.947 1358 956 A 40 VAL HGx% A 19 LEU HA 1.0 1.963 4.947 1359 957 A 40 VAL HGx% A 17 VAL HA 1.0 1.956 4.852 1360 957 A 43 PHE HA A 40 VAL HGx% 1.0 1.956 4.852 1361 958 A 40 VAL HGx% A 13 ARG HGy 1.0 1.827 3.823 1362 958 A 40 VAL HGx% A 19 LEU HBy 1.0 1.827 3.823 1363 959 A 40 VAL HGx% A 44 LEU HDy% 1.0 1.432 2.304 1364 959 A 17 VAL HGx% A 40 VAL HGx% 1.0 1.432 2.304 1365 959 A 17 VAL HGy% A 40 VAL HGx% 1.0 1.432 2.304 1366 960 A 40 VAL HGy% A 39 SER HA 1.0 1.942 4.696 1367 960 A 40 VAL HGy% A 19 LEU HA 1.0 1.942 4.696 1368 961 A 40 VAL HGy% A 43 PHE HBx 1.0 1.925 4.529 1369 961 A 43 PHE HBy A 40 VAL HGy% 1.0 1.925 4.529 1370 962 A 40 VAL HGy% A 19 LEU HG 1.0 1.931 4.577 1371 962 A 19 LEU HBy A 40 VAL HGy% 1.0 1.931 4.577 1372 963 A 55 ASP HA A 54 ALA HB% 1.0 1.734 3.348 1373 963 A 55 ASP HA A 59 ALA HB% 1.0 1.734 3.348 1374 964 A 54 ALA HB% A 49 ARG HA 1.0 1.346 2.078 1375 964 A 59 ALA HB% A 59 ALA HA 1.0 1.346 2.078 1376 965 A 49 ARG HDy A 54 ALA HB% 1.0 1.608 2.848 1377 965 A 49 ARG HDy A 59 ALA HB% 1.0 1.608 2.848 1378 966 A 24 TYR HEx A 40 VAL HA 1.0 1.911 4.397 1379 966 A 24 TYR HEy A 40 VAL HA 1.0 1.911 4.397 1380 966 A 43 PHE HDy A 40 VAL HA 1.0 1.911 4.397 1381 966 A 43 PHE HDx A 40 VAL HA 1.0 1.911 4.397 1382 967 A 66 TRP HA A 69 ARG HDy 1.0 1.833 3.857 1383 967 A 66 TRP HA A 69 ARG HDx 1.0 1.833 3.857 1384 968 A 30 HIS HA A 33 SER HBx 1.0 1.888 4.222 1385 968 A 30 HIS HA A 31 ASN HA 1.0 1.888 4.222 1386 968 A 30 HIS HA A 29 GLU HA 1.0 1.888 4.222 1387 969 A 28 ARG HA A 31 ASN HA 1.0 1.947 4.747 1388 969 A 28 ARG HA A 29 GLU HA 1.0 1.947 4.747 1389 970 A 31 ASN HBy A 28 ARG HA 1.0 1.717 3.273 1390 970 A 28 ARG HDy A 28 ARG HA 1.0 1.717 3.273 1391 970 A 28 ARG HDx A 28 ARG HA 1.0 1.717 3.273 1392 971 A 47 ARG HA A 47 ARG HGy 1.0 1.712 3.248 1393 971 A 47 ARG HA A 47 ARG HGx 1.0 1.712 3.248 1394 972 A 44 LEU HA A 44 LEU HDy% 1.0 1.545 2.639 1395 972 A 44 LEU HA A 19 LEU HDy% 1.0 1.545 2.639 1396 973 A 38 LEU HG A 36 LEU HBy 1.0 1.889 4.227 1397 973 A 38 LEU HDx% A 36 LEU HBy 1.0 1.889 4.227 1398 974 A 19 LEU HBx A 19 LEU HDy% 1.0 1.665 3.061 1399 974 A 44 LEU HDx% A 19 LEU HBx 1.0 1.665 3.061 1400 975 A 19 LEU HBy A 19 LEU HDy% 1.0 1.636 2.952 1401 975 A 19 LEU HBy A 44 LEU HDx% 1.0 1.636 2.952 1402 975 A 19 LEU HBy A 44 LEU HDy% 1.0 1.636 2.952 1403 976 A 43 PHE HDx A 19 LEU HBx 1.0 1.978 5.178 1404 976 A 43 PHE HDy A 19 LEU HBx 1.0 1.978 5.178 1405 976 A 24 TYR HEy A 19 LEU HBx 1.0 1.978 5.178 1406 976 A 24 TYR HEx A 19 LEU HBx 1.0 1.978 5.178 1407 977 A 47 ARG HGx A 47 ARG HDx 1.0 1.648 2.998 1408 977 A 47 ARG HGy A 47 ARG HDy 1.0 1.648 2.998 1409 977 A 47 ARG HGy A 47 ARG HDx 1.0 1.648 2.998 1410 977 A 47 ARG HGx A 47 ARG HDy 1.0 1.648 2.998 1411 978 A 15 ARG HDy A 14 GLY HAx 1.0 1.845 3.925 1412 978 A 15 ARG HDy A 16 GLY HAy 1.0 1.845 3.925 1413 978 A 15 ARG HDx A 14 GLY HAx 1.0 1.845 3.925 1414 978 A 15 ARG HDx A 16 GLY HAy 1.0 1.845 3.925 1415 978 A 15 ARG HDx A 14 GLY HAy 1.0 1.845 3.925 1416 978 A 15 ARG HDy A 14 GLY HAy 1.0 1.845 3.925 1417 979 A 13 ARG HDx A 44 LEU HDy% 1.0 1.862 4.032 1418 979 A 17 VAL HGy% A 13 ARG HDx 1.0 1.862 4.032 1419 979 A 13 ARG HDy A 44 LEU HDy% 1.0 1.862 4.032 1420 979 A 17 VAL HGy% A 13 ARG HDy 1.0 1.862 4.032 1421 979 A 17 VAL HGx% A 13 ARG HDx 1.0 1.862 4.032 1422 979 A 17 VAL HGx% A 13 ARG HDy 1.0 1.862 4.032 1423 980 A 35 LYS HGy A 35 LYS HEy 1.0 1.493 2.479 1424 980 A 49 ARG HDx A 54 ALA HB% 1.0 1.493 2.479 1425 980 A 35 LYS HGy A 35 LYS HEx 1.0 1.493 2.479 1426 980 A 35 LYS HGx A 35 LYS HEx 1.0 1.493 2.479 1427 980 A 35 LYS HGx A 35 LYS HEy 1.0 1.493 2.479 1428 981 A 35 LYS HDy A 35 LYS HEx 1.0 1.356 2.106 1429 981 A 35 LYS HDx A 35 LYS HEx 1.0 1.356 2.106 1430 981 A 61 LYS HDx A 61 LYS HEy 1.0 1.356 2.106 1431 981 A 61 LYS HDx A 61 LYS HEx 1.0 1.356 2.106 1432 981 A 35 LYS HDy A 35 LYS HEy 1.0 1.356 2.106 1433 981 A 35 LYS HDx A 35 LYS HEy 1.0 1.356 2.106 1434 981 A 61 LYS HDy A 61 LYS HEy 1.0 1.356 2.106 1435 981 A 61 LYS HDy A 61 LYS HEx 1.0 1.356 2.106 1436 982 A 61 LYS HEy A 61 LYS HA 1.0 1.772 3.524 1437 982 A 61 LYS HEx A 61 LYS HA 1.0 1.772 3.524 1438 982 A 35 LYS HEy A 33 SER HA 1.0 1.772 3.524 1439 982 A 35 LYS HEx A 33 SER HA 1.0 1.772 3.524 1440 983 A 59 ALA HB% A 56 ASP HBy 1.0 1.479 2.439 1441 983 A 71 LYS HEy A 71 LYS HGx 1.0 1.479 2.439 1442 983 A 71 LYS HEy A 71 LYS HGy 1.0 1.479 2.439 1443 983 A 71 LYS HEx A 71 LYS HGy 1.0 1.479 2.439 1444 983 A 71 LYS HEx A 71 LYS HGx 1.0 1.479 2.439 1445 984 A 54 ALA HA A 55 ASP HBy 1.0 1.932 4.590 1446 984 A 25 ASP HBx A 26 GLU HA 1.0 1.932 4.590 1447 984 A 23 GLU HA A 22 ASP HBy 1.0 1.932 4.590 1448 985 A 54 ALA HA A 55 ASP HBx 1.0 1.935 4.629 1449 985 A 23 GLU HA A 22 ASP HBx 1.0 1.935 4.629 1450 986 A 73 ALA HB% A 22 ASP HBy 1.0 1.929 4.561 1451 986 A 20 THR HG2% A 22 ASP HBy 1.0 1.929 4.561 1452 987 A 54 ALA HB% A 55 ASP HBx 1.0 1.895 4.269 1453 987 A 73 ALA HB% A 22 ASP HBx 1.0 1.895 4.269 1454 987 A 20 THR HG2% A 22 ASP HBx 1.0 1.895 4.269 1455 988 A 68 SER HBy A 69 ARG HDy 1.0 1.888 4.216 1456 988 A 69 ARG HDx A 68 SER HBx 1.0 1.888 4.216 1457 988 A 69 ARG HDx A 68 SER HBy 1.0 1.888 4.216 1458 988 A 69 ARG HA A 69 ARG HDy 1.0 1.888 4.216 1459 988 A 68 SER HBx A 69 ARG HDy 1.0 1.888 4.216 1460 988 A 69 ARG HA A 69 ARG HDx 1.0 1.888 4.216 1461 989 A 66 TRP HBx A 69 ARG HDx 1.0 1.844 3.920 1462 989 A 38 LEU HBx A 42 ASP HBy 1.0 1.844 3.920 1463 990 A 38 LEU HG A 38 LEU HBy 1.0 1.754 3.440 1464 990 A 38 LEU HDx% A 38 LEU HBy 1.0 1.754 3.440 1465 991 A 38 LEU HG A 38 LEU HBx 1.0 1.673 3.091 1466 991 A 69 ARG HBx A 69 ARG HDy 1.0 1.673 3.091 1467 992 A 69 ARG HGy A 69 ARG HDy 1.0 1.690 3.162 1468 992 A 69 ARG HGy A 69 ARG HDx 1.0 1.690 3.162 1469 993 A 65 TRP HZ3 A 69 ARG HDy 1.0 1.909 4.387 1470 993 A 69 ARG HDx A 66 TRP HD1 1.0 1.909 4.387 1471 993 A 69 ARG HDx A 65 TRP HZ3 1.0 1.909 4.387 1472 994 A 65 TRP HBx A 69 ARG HDy 1.0 1.973 5.103 1473 994 A 65 TRP HBx A 69 ARG HDx 1.0 1.973 5.103 1474 994 A 43 PHE HBy A 38 LEU HBx 1.0 1.973 5.103 1475 995 A 43 PHE HA A 38 LEU HBy 1.0 1.966 4.978 1476 995 A 38 LEU HBy A 31 ASN HA 1.0 1.966 4.978 1477 996 A 38 LEU HBx A 31 ASN HA 1.0 1.947 4.745 1478 996 A 70 THR HB A 69 ARG HDy 1.0 1.947 4.745 1479 996 A 33 SER HBx A 69 ARG HDy 1.0 1.947 4.745 1480 996 A 43 PHE HA A 38 LEU HBx 1.0 1.947 4.745 1481 997 A 54 ALA HB% A 52 LEU HBy 1.0 1.783 3.583 1482 997 A 52 LEU HBy A 51 ALA HB% 1.0 1.783 3.583 1483 997 A 52 LEU HBx A 51 ALA HB% 1.0 1.783 3.583 1484 998 A 44 LEU HBx A 44 LEU HDy% 1.0 1.659 3.035 1485 998 A 44 LEU HDx% A 44 LEU HBx 1.0 1.659 3.035 1486 999 A 71 LYS HBy A 70 THR HB 1.0 1.927 4.543 1487 999 A 71 LYS HBx A 70 THR HB 1.0 1.927 4.543 1488 1000 A 72 MET HA A 70 THR HB 1.0 1.831 3.845 1489 1000 A 67 ASN HA A 70 THR HB 1.0 1.831 3.845 1490 1001 A 48 HIS HD2 A 11 THR HB 1.0 1.899 4.305 1491 1001 A 12 TYR HDy A 11 THR HB 1.0 1.899 4.305 1492 1001 A 12 TYR HDx A 11 THR HB 1.0 1.899 4.305 1493 1002 A 17 VAL HA A 24 TYR HDx 1.0 1.910 4.388 1494 1002 A 17 VAL HA A 24 TYR HDy 1.0 1.910 4.388 1495 1002 A 63 ARG HA A 66 TRP HD1 1.0 1.910 4.388 1496 1002 A 63 ARG HA A 65 TRP HZ3 1.0 1.910 4.388 1497 1003 A 63 ARG HA A 67 ASN HBy 1.0 1.808 3.712 1498 1003 A 63 ARG HA A 67 ASN HBx 1.0 1.808 3.712 1499 1003 A 12 TYR HBy A 17 VAL HA 1.0 1.808 3.712 1500 1003 A 12 TYR HBx A 17 VAL HA 1.0 1.808 3.712 1501 1004 A 17 VAL HB A 17 VAL HA 1.0 1.565 2.703 1502 1004 A 63 ARG HA A 63 ARG HBx 1.0 1.565 2.703 1503 1005 A 43 PHE HA A 43 PHE HBx 1.0 1.762 3.476 1504 1005 A 43 PHE HBy A 43 PHE HA 1.0 1.762 3.476 1505 1006 A 43 PHE HA A 40 VAL HA 1.0 1.903 4.333 1506 1006 A 43 PHE HA A 42 ASP HBx 1.0 1.903 4.333 1507 1007 A 41 GLU HA A 42 ASP HA 1.0 1.939 4.665 1508 1007 A 39 SER HBy A 41 GLU HA 1.0 1.939 4.665 1509 1008 A 63 ARG HA A 67 ASN HBy 1.0 1.809 3.719 1510 1008 A 63 ARG HA A 67 ASN HBx 1.0 1.809 3.719 1511 1008 A 66 TRP HBx A 63 ARG HA 1.0 1.809 3.719 1512 1009 A 63 ARG HA A 63 ARG HDy 1.0 1.863 4.041 1513 1009 A 63 ARG HA A 60 VAL HA 1.0 1.863 4.041 1514 1010 A 24 TYR HA A 19 LEU HDx% 1.0 1.710 3.246 1515 1010 A 44 LEU HDy% A 24 TYR HA 1.0 1.710 3.246 1516 1011 A 24 TYR HA A 27 TRP HBy 1.0 1.855 3.995 1517 1011 A 24 TYR HA A 27 TRP HBx 1.0 1.855 3.995 1518 1012 A 62 PHE HA A 65 TRP HZ3 1.0 1.748 3.412 1519 1012 A 24 TYR HDy A 24 TYR HA 1.0 1.748 3.412 1520 1012 A 24 TYR HDx A 24 TYR HA 1.0 1.748 3.412 1521 1013 A 19 LEU HDy% A 11 THR HA 1.0 1.884 4.192 1522 1013 A 17 VAL HGx% A 11 THR HA 1.0 1.884 4.192 1523 1013 A 17 VAL HGy% A 11 THR HA 1.0 1.884 4.192 1524 1014 A 62 PHE HA A 46 LEU HBy 1.0 1.866 4.068 1525 1014 A 19 LEU HBx A 24 TYR HA 1.0 1.866 4.068 1526 1015 A 19 LEU HG A 24 TYR HA 1.0 1.892 4.246 1527 1015 A 19 LEU HBy A 24 TYR HA 1.0 1.892 4.246 1528 1016 A 30 HIS HBy A 27 TRP HA 1.0 1.678 3.112 1529 1016 A 23 GLU HGy A 23 GLU HA 1.0 1.678 3.112 1530 1017 A 26 GLU HA A 29 GLU HBy 1.0 1.667 3.071 1531 1017 A 29 GLU HBx A 26 GLU HA 1.0 1.667 3.071 1532 1018 A 23 GLU HA A 23 GLU HBy 1.0 1.574 2.732 1533 1018 A 30 HIS HBx A 27 TRP HA 1.0 1.574 2.732 1534 1019 A 65 TRP HZ2 A 33 SER HA 1.0 1.814 3.748 1535 1019 A 27 TRP HE3 A 27 TRP HA 1.0 1.814 3.748 1536 1019 A 66 TRP HH2 A 26 GLU HA 1.0 1.814 3.748 1537 1020 A 27 TRP HA A 27 TRP HBy 1.0 1.595 2.805 1538 1020 A 27 TRP HA A 27 TRP HBx 1.0 1.595 2.805 1539 1020 A 23 GLU HA A 26 GLU HBy 1.0 1.595 2.805 1540 1021 A 29 GLU HA A 29 GLU HBy 1.0 1.580 2.752 1541 1021 A 29 GLU HBx A 29 GLU HA 1.0 1.580 2.752 1542 1022 A 49 ARG HGy A 49 ARG HA 1.0 1.615 2.877 1543 1022 A 49 ARG HBy A 49 ARG HA 1.0 1.615 2.877 1544 1023 A 69 ARG HBy A 69 ARG HA 1.0 1.500 2.498 1545 1023 A 35 LYS HA A 35 LYS HGy 1.0 1.500 2.498 1546 1023 A 35 LYS HA A 35 LYS HGx 1.0 1.500 2.498 1547 1024 A 49 ARG HGy A 46 LEU HA 1.0 1.740 3.376 1548 1024 A 46 LEU HA A 49 ARG HBy 1.0 1.740 3.376 1549 1025 A 71 LYS HEx A 68 SER HA 1.0 1.839 3.895 1550 1025 A 71 LYS HEy A 68 SER HA 1.0 1.839 3.895 1551 1025 A 68 SER HA A 67 ASN HBy 1.0 1.839 3.895 1552 1025 A 68 SER HA A 67 ASN HBx 1.0 1.839 3.895 1553 1026 A 13 ARG HBx A 12 TYR HA 1.0 1.905 4.349 1554 1026 A 15 ARG HGy A 12 TYR HA 1.0 1.905 4.349 1555 1027 A 57 ASN HA A 60 VAL HGy% 1.0 1.546 2.644 1556 1027 A 57 ASN HA A 60 VAL HGx% 1.0 1.546 2.644 1557 1028 A 45 MET HGy A 42 ASP HA 1.0 1.585 2.771 1558 1028 A 42 ASP HA A 42 ASP HBx 1.0 1.585 2.771 1559 1029 A 42 ASP HA A 46 LEU HG 1.0 1.825 3.807 1560 1029 A 42 ASP HA A 38 LEU HDx% 1.0 1.825 3.807 1561 1030 A 42 ASP HA A 44 LEU HDy% 1.0 1.905 4.357 1562 1030 A 46 LEU HDy% A 42 ASP HA 1.0 1.905 4.357 1563 1031 A 71 LYS HEy A 71 LYS HA 1.0 1.797 3.657 1564 1031 A 71 LYS HEx A 71 LYS HA 1.0 1.797 3.657 1565 1031 A 71 LYS HA A 67 ASN HBy 1.0 1.797 3.657 1566 1031 A 71 LYS HA A 67 ASN HBx 1.0 1.797 3.657 1567 1032 A 34 ARG HA A 65 TRP HH2 1.0 1.959 4.895 1568 1032 A 34 ARG HA A 65 TRP HD1 1.0 1.959 4.895 1569 1032 A 34 ARG HA A 65 TRP HZ2 1.0 1.959 4.895 1570 1033 A 46 LEU HBy A 59 ALA HA 1.0 1.543 2.633 1571 1033 A 50 ALA HA A 50 ALA HB% 1.0 1.543 2.633 1572 1034 A 74 ASN HA A 47 ARG HGx 1.0 1.902 4.328 1573 1034 A 74 ASN HA A 47 ARG HBy 1.0 1.902 4.328 1574 1035 A 21 ASP HA A 24 TYR HBy 1.0 1.810 3.726 1575 1035 A 24 TYR HBy A 25 ASP HA 1.0 1.810 3.726 1576 1036 A 76 TYR HBy A 76 TYR HA 1.0 1.409 2.241 1577 1036 A 76 TYR HBx A 76 TYR HA 1.0 1.409 2.241 1578 1037 A 22 ASP HA A 25 ASP HBx 1.0 1.555 2.671 1579 1037 A 22 ASP HA A 22 ASP HBy 1.0 1.555 2.671 1580 1038 A 19 LEU HG A 19 LEU HA 1.0 1.681 3.123 1581 1038 A 19 LEU HBy A 19 LEU HA 1.0 1.681 3.123 1582 1039 A 72 MET HA A 66 TRP HD1 1.0 1.841 3.899 1583 1039 A 67 ASN HA A 66 TRP HD1 1.0 1.841 3.899 1584 1040 A 37 ASP HBy A 37 ASP HA 1.0 1.542 2.628 1585 1040 A 55 ASP HA A 55 ASP HBx 1.0 1.542 2.628 1586 1041 A 46 LEU HG A 30 HIS HE1 1.0 1.769 3.513 1587 1041 A 38 LEU HG A 30 HIS HE1 1.0 1.769 3.513 1588 1042 A 24 TYR HDx A 44 LEU HDx% 1.0 1.686 3.144 1589 1042 A 24 TYR HDx A 44 LEU HDy% 1.0 1.686 3.144 1590 1042 A 24 TYR HDy A 44 LEU HDx% 1.0 1.686 3.144 1591 1042 A 24 TYR HDy A 44 LEU HDy% 1.0 1.686 3.144 1592 1043 A 24 TYR HDx A 24 TYR HA 1.0 1.788 3.604 1593 1043 A 24 TYR HDy A 24 TYR HA 1.0 1.788 3.604 1594 1043 A 24 TYR HDy A 18 ALA HA 1.0 1.788 3.604 1595 1043 A 24 TYR HDx A 18 ALA HA 1.0 1.788 3.604 1596 1044 A 76 TYR HBy A 76 TYR HDy 1.0 1.479 2.437 1597 1044 A 76 TYR HBy A 76 TYR HDx 1.0 1.479 2.437 1598 1044 A 76 TYR HDy A 76 TYR HBx 1.0 1.479 2.437 1599 1044 A 76 TYR HDx A 76 TYR HBx 1.0 1.479 2.437 1600 1045 A 43 PHE HDy A 38 LEU HG 1.0 1.935 4.621 1601 1045 A 43 PHE HDx A 38 LEU HG 1.0 1.935 4.621 1602 1045 A 47 ARG HBy A 43 PHE HDy 1.0 1.935 4.621 1603 1045 A 47 ARG HGx A 43 PHE HDy 1.0 1.935 4.621 1604 1045 A 47 ARG HGx A 43 PHE HDx 1.0 1.935 4.621 1605 1045 A 47 ARG HBy A 43 PHE HDx 1.0 1.935 4.621 1606 1046 A 43 PHE HBy A 43 PHE HDx 1.0 1.911 4.401 1607 1046 A 43 PHE HBy A 43 PHE HDy 1.0 1.911 4.401 1608 1046 A 43 PHE HDy A 43 PHE HBx 1.0 1.911 4.401 1609 1046 A 43 PHE HDx A 43 PHE HBx 1.0 1.911 4.401 1610 1047 A 62 PHE HDy A 46 LEU HBy 1.0 1.695 3.183 1611 1047 A 62 PHE HDx A 50 ALA HB% 1.0 1.695 3.183 1612 1047 A 62 PHE HDx A 46 LEU HBy 1.0 1.695 3.183 1613 1047 A 62 PHE HDy A 50 ALA HB% 1.0 1.695 3.183 1614 1048 A 62 PHE HDy A 46 LEU HG 1.0 1.854 3.980 1615 1048 A 62 PHE HDx A 47 ARG HGx 1.0 1.854 3.980 1616 1048 A 62 PHE HDx A 47 ARG HBy 1.0 1.854 3.980 1617 1048 A 62 PHE HDy A 47 ARG HGx 1.0 1.854 3.980 1618 1048 A 62 PHE HDx A 46 LEU HG 1.0 1.854 3.980 1619 1048 A 62 PHE HDy A 47 ARG HBy 1.0 1.854 3.980 1620 1049 A 43 PHE HEy A 19 LEU HDx% 1.0 1.833 3.855 1621 1049 A 43 PHE HEy A 47 ARG HBx 1.0 1.833 3.855 1622 1049 A 43 PHE HEx A 44 LEU HDy% 1.0 1.833 3.855 1623 1049 A 43 PHE HEy A 44 LEU HDy% 1.0 1.833 3.855 1624 1049 A 43 PHE HEx A 19 LEU HDx% 1.0 1.833 3.855 1625 1049 A 43 PHE HEx A 47 ARG HBx 1.0 1.833 3.855 1626 1049 A 43 PHE HEx A 19 LEU HDy% 1.0 1.833 3.855 1627 1049 A 43 PHE HEy A 19 LEU HDy% 1.0 1.833 3.855 1628 1050 A 43 PHE HEx A 30 HIS HBy 1.0 1.908 4.378 1629 1050 A 43 PHE HEx A 47 ARG HDx 1.0 1.908 4.378 1630 1050 A 43 PHE HEy A 30 HIS HBy 1.0 1.908 4.378 1631 1050 A 43 PHE HEy A 47 ARG HDy 1.0 1.908 4.378 1632 1050 A 43 PHE HEy A 47 ARG HDx 1.0 1.908 4.378 1633 1050 A 43 PHE HEx A 47 ARG HDy 1.0 1.908 4.378 1634 1051 A 24 TYR HBx A 43 PHE HEy 1.0 1.962 4.936 1635 1051 A 43 PHE HEx A 66 TRP HA 1.0 1.962 4.936 1636 1051 A 43 PHE HEy A 30 HIS HA 1.0 1.962 4.936 1637 1051 A 43 PHE HEy A 66 TRP HA 1.0 1.962 4.936 1638 1051 A 24 TYR HBx A 43 PHE HEx 1.0 1.962 4.936 1639 1051 A 43 PHE HEx A 30 HIS HA 1.0 1.962 4.936 1640 1052 A 43 PHE HZ A 47 ARG HBx 1.0 1.931 4.585 1641 1052 A 43 PHE HZ A 44 LEU HDy% 1.0 1.931 4.585 1642 1053 A 47 ARG HGy A 62 PHE HEx 1.0 1.872 4.098 1643 1053 A 47 ARG HGy A 62 PHE HEy 1.0 1.872 4.098 1644 1053 A 47 ARG HGx A 62 PHE HEy 1.0 1.872 4.098 1645 1053 A 47 ARG HGx A 62 PHE HEx 1.0 1.872 4.098 1646 1054 A 69 ARG HBx A 65 TRP HD1 1.0 1.902 4.324 1647 1054 A 34 ARG HGx A 65 TRP HD1 1.0 1.902 4.324 1648 1055 A 66 TRP HZ2 A 66 TRP HD1 1.0 1.892 4.254 1649 1055 A 66 TRP HE3 A 66 TRP HD1 1.0 1.892 4.254 1650 1056 A 27 TRP HD1 A 44 LEU HDy% 1.0 1.968 5.024 1651 1056 A 27 TRP HD1 A 36 LEU HDx% 1.0 1.968 5.024 1652 1057 A 27 TRP HD1 A 40 VAL HA 1.0 1.777 3.553 1653 1057 A 30 HIS HBx A 27 TRP HD1 1.0 1.777 3.553 1654 1058 A 69 ARG HDx A 65 TRP HH2 1.0 1.919 4.471 1655 1058 A 65 TRP HH2 A 69 ARG HDy 1.0 1.919 4.471 1656 1059 A 33 SER HBy A 65 TRP HH2 1.0 1.877 4.137 1657 1059 A 27 TRP HA A 65 TRP HH2 1.0 1.877 4.137 1658 1060 A 34 ARG HDx A 65 TRP HH2 1.0 1.912 4.414 1659 1060 A 29 GLU HBx A 65 TRP HH2 1.0 1.912 4.414 1660 1061 A 66 TRP HBy A 65 TRP HZ3 1.0 1.932 4.590 1661 1061 A 30 HIS HA A 65 TRP HZ3 1.0 1.932 4.590 1662 1062 A 66 TRP HA A 65 TRP HE3 1.0 1.863 4.047 1663 1062 A 66 TRP HBy A 65 TRP HE3 1.0 1.863 4.047 1664 1063 A 65 TRP HA A 65 TRP HE3 1.0 1.902 4.322 1665 1063 A 33 SER HBy A 65 TRP HE3 1.0 1.902 4.322 1666 1064 A 66 TRP HZ3 A 69 ARG HDy 1.0 1.965 4.971 1667 1064 A 69 ARG HDx A 66 TRP HZ3 1.0 1.965 4.971 1668 1065 A 66 TRP HBx A 66 TRP HZ3 1.0 1.918 4.468 1669 1065 A 30 HIS HBy A 66 TRP HZ3 1.0 1.918 4.468 1670 1066 A 66 TRP HA A 66 TRP HZ3 1.0 1.946 4.742 1671 1066 A 30 HIS HA A 66 TRP HZ3 1.0 1.946 4.742 1672 1067 A 30 HIS HBx A 66 TRP HZ3 1.0 1.980 5.214 1673 1067 A 29 GLU HGy A 66 TRP HZ3 1.0 1.980 5.214 1674 1068 A 63 ARG HA A 66 TRP HE3 1.0 1.952 4.806 1675 1068 A 66 TRP HE3 A 33 SER HBy 1.0 1.952 4.806 1676 1069 A 27 TRP HE3 A 44 LEU HDx% 1.0 1.955 4.849 1677 1069 A 27 TRP HE3 A 44 LEU HDy% 1.0 1.955 4.849 1678 1070 A 27 TRP HE3 A 27 TRP HBy 1.0 1.936 4.640 1679 1070 A 27 TRP HE3 A 27 TRP HBx 1.0 1.936 4.640 1680 1071 A 24 TYR HEx A 17 VAL HGy% 1.0 1.715 3.265 1681 1071 A 24 TYR HEx A 17 VAL HGx% 1.0 1.715 3.265 1682 1071 A 24 TYR HEy A 44 LEU HDy% 1.0 1.715 3.265 1683 1071 A 24 TYR HEx A 44 LEU HDy% 1.0 1.715 3.265 1684 1071 A 24 TYR HEy A 44 LEU HDx% 1.0 1.715 3.265 1685 1071 A 24 TYR HEx A 44 LEU HDx% 1.0 1.715 3.265 1686 1071 A 24 TYR HEy A 17 VAL HGx% 1.0 1.715 3.265 1687 1071 A 24 TYR HEy A 17 VAL HGy% 1.0 1.715 3.265 1688 1072 A 30 HIS HBy A 66 TRP HZ2 1.0 1.978 5.196 1689 1072 A 23 GLU HGy A 66 TRP HZ2 1.0 1.978 5.196 1690 1072 A 66 TRP HBx A 66 TRP HZ2 1.0 1.978 5.196 1691 1073 A 65 TRP HZ2 A 69 ARG HDy 1.0 1.896 4.282 1692 1073 A 69 ARG HDx A 65 TRP HZ2 1.0 1.896 4.282 1693 1074 A 66 TRP HBx A 65 TRP HZ2 1.0 1.900 4.312 1694 1074 A 30 HIS HBy A 65 TRP HZ2 1.0 1.900 4.312 1695 1075 A 30 HIS HD2 A 65 TRP HZ2 1.0 1.908 4.380 1696 1075 A 30 HIS HD2 A 65 TRP HZ3 1.0 1.908 4.380 1697 1076 A 17 VAL HGy% A 11 THR HB 1.0 1.959 4.889 1698 1076 A 17 VAL HGx% A 11 THR HB 1.0 1.959 4.889 1699 1076 A 19 LEU HDy% A 11 THR HB 1.0 1.959 4.889 1700 1077 A 66 TRP HBx A 66 TRP HE1 1.0 1.853 3.979 1701 1077 A 23 GLU HGy A 66 TRP HE1 1.0 1.853 3.979 1702 1078 A 65 TRP HD1 A 65 TRP HE1 1.0 1.484 2.452 1703 1078 A 65 TRP HZ2 A 65 TRP HE1 1.0 1.484 2.452 1704 1079 A 43 PHE HBy A 27 TRP HE1 1.0 1.898 4.300 1705 1079 A 27 TRP HE1 A 43 PHE HBx 1.0 1.898 4.300 1706 1080 A 60 VAL HGy% A 59 ALA H 1.0 1.787 3.603 1707 1080 A 60 VAL HGx% A 59 ALA H 1.0 1.787 3.603 1708 1081 A 71 LYS HEy A 71 LYS H 1.0 1.887 4.213 1709 1081 A 67 ASN HBx A 71 LYS H 1.0 1.887 4.213 1710 1081 A 66 TRP HBx A 65 TRP H 1.0 1.887 4.213 1711 1081 A 67 ASN HBy A 65 TRP H 1.0 1.887 4.213 1712 1081 A 71 LYS HEx A 71 LYS H 1.0 1.887 4.213 1713 1081 A 67 ASN HBx A 65 TRP H 1.0 1.887 4.213 1714 1081 A 67 ASN HBy A 71 LYS H 1.0 1.887 4.213 1715 1082 A 71 LYS HA A 71 LYS H 1.0 1.529 2.589 1716 1082 A 65 TRP HA A 65 TRP H 1.0 1.529 2.589 1717 1083 A 66 TRP HBy A 65 TRP H 1.0 1.858 4.012 1718 1083 A 66 TRP HBy A 71 LYS H 1.0 1.858 4.012 1719 1083 A 62 PHE HBy A 65 TRP H 1.0 1.858 4.012 1720 1083 A 62 PHE HBx A 65 TRP H 1.0 1.858 4.012 1721 1084 A 40 VAL HA A 40 VAL H 1.0 1.823 3.795 1722 1084 A 47 ARG HA A 50 ALA H 1.0 1.823 3.795 1723 1085 A 50 ALA HA A 50 ALA H 1.0 1.715 3.263 1724 1085 A 49 ARG HA A 50 ALA H 1.0 1.715 3.263 1725 1086 A 50 ALA H A 54 ALA H 1.0 1.856 3.996 1726 1086 A 50 ALA H A 53 GLY H 1.0 1.856 3.996 1727 1086 A 50 ALA H A 48 HIS H 1.0 1.856 3.996 1728 1087 A 40 VAL H A 39 SER H 1.0 1.867 4.071 1729 1087 A 27 TRP HE1 A 40 VAL H 1.0 1.867 4.071 1730 1088 A 44 LEU HG A 43 PHE H 1.0 1.837 3.877 1731 1088 A 41 GLU HBy A 43 PHE H 1.0 1.837 3.877 1732 1089 A 42 ASP HBx A 43 PHE H 1.0 1.819 3.775 1733 1089 A 40 VAL HA A 43 PHE H 1.0 1.819 3.775 1734 1090 A 43 PHE HBy A 43 PHE H 1.0 1.770 3.516 1735 1090 A 43 PHE H A 43 PHE HBx 1.0 1.770 3.516 1736 1091 A 19 LEU HDy% A 19 LEU H 1.0 1.751 3.427 1737 1091 A 44 LEU HDx% A 19 LEU H 1.0 1.751 3.427 1738 1092 A 29 GLU H A 29 GLU HBy 1.0 1.745 3.397 1739 1092 A 29 GLU HBx A 29 GLU H 1.0 1.745 3.397 1740 1093 A 29 GLU HGy A 29 GLU H 1.0 1.864 4.054 1741 1093 A 29 GLU H A 27 TRP HBx 1.0 1.864 4.054 1742 1093 A 29 GLU H A 26 GLU HBy 1.0 1.864 4.054 1743 1093 A 30 HIS HBx A 29 GLU H 1.0 1.864 4.054 1744 1094 A 26 GLU H A 26 GLU HA 1.0 1.741 3.381 1745 1094 A 23 GLU HA A 26 GLU H 1.0 1.741 3.381 1746 1095 A 66 TRP HA A 66 TRP H 1.0 1.780 3.566 1747 1095 A 66 TRP HBy A 66 TRP H 1.0 1.780 3.566 1748 1096 A 65 TRP HA A 66 TRP H 1.0 1.835 3.871 1749 1096 A 63 ARG HA A 66 TRP H 1.0 1.835 3.871 1750 1097 A 64 SER HA A 66 TRP H 1.0 1.870 4.088 1751 1097 A 62 PHE HA A 66 TRP H 1.0 1.870 4.088 1752 1098 A 38 LEU HDy% A 39 SER H 1.0 1.801 3.675 1753 1098 A 38 LEU HDx% A 39 SER H 1.0 1.801 3.675 1754 1099 A 39 SER H A 41 GLU H 1.0 1.904 4.346 1755 1099 A 40 VAL H A 39 SER H 1.0 1.904 4.346 1756 1100 A 21 ASP HA A 21 ASP H 1.0 1.626 2.914 1757 1100 A 20 THR HA A 21 ASP H 1.0 1.626 2.914 1758 1101 A 65 TRP HH2 A 30 HIS H 1.0 1.949 4.775 1759 1101 A 30 HIS H A 31 ASN H 1.0 1.949 4.775 1760 1102 A 27 TRP H A 27 TRP HBy 1.0 1.698 3.192 1761 1102 A 27 TRP H A 27 TRP HBx 1.0 1.698 3.192 1762 1103 A 52 LEU HDy% A 51 ALA H 1.0 1.901 4.321 1763 1103 A 47 ARG HBx A 51 ALA H 1.0 1.901 4.321 1764 1104 A 51 ALA H A 74 ASN HD2x 1.0 1.889 4.227 1765 1104 A 62 PHE HDy A 51 ALA H 1.0 1.889 4.227 1766 1104 A 62 PHE HDx A 51 ALA H 1.0 1.889 4.227 1767 1105 A 51 ALA H A 74 ASN HD2y 1.0 1.837 3.881 1768 1105 A 51 ALA H A 53 GLY H 1.0 1.837 3.881 1769 1105 A 51 ALA H A 48 HIS H 1.0 1.837 3.881 1770 1106 A 49 ARG HGy A 54 ALA H 1.0 1.911 4.397 1771 1106 A 49 ARG HBy A 54 ALA H 1.0 1.911 4.397 1772 1107 A 54 ALA HA A 54 ALA H 1.0 1.651 3.005 1773 1107 A 53 GLY HAy A 54 ALA H 1.0 1.651 3.005 1774 1108 A 30 HIS HA A 32 ALA H 1.0 1.905 4.351 1775 1108 A 28 ARG HA A 32 ALA H 1.0 1.905 4.351 1776 1109 A 32 ALA HA A 32 ALA H 1.0 1.644 2.980 1777 1109 A 29 GLU HA A 32 ALA H 1.0 1.644 2.980 1778 1110 A 42 ASP HA A 42 ASP H 1.0 1.725 3.307 1779 1110 A 39 SER HBy A 42 ASP H 1.0 1.725 3.307 1780 1111 A 43 PHE H A 42 ASP H 1.0 1.681 3.121 1781 1111 A 42 ASP H A 41 GLU H 1.0 1.681 3.121 1782 1112 A 17 VAL H A 16 GLY H 1.0 1.811 3.727 1783 1112 A 17 VAL H A 15 ARG H 1.0 1.811 3.727 1784 1113 A 60 VAL HGx% A 63 ARG H 1.0 1.884 4.188 1785 1113 A 60 VAL HGy% A 63 ARG H 1.0 1.884 4.188 1786 1113 A 38 LEU HDx% A 44 LEU H 1.0 1.884 4.188 1787 1114 A 24 TYR H A 19 LEU HDx% 1.0 1.828 3.824 1788 1114 A 19 LEU HDy% A 24 TYR H 1.0 1.828 3.824 1789 1115 A 60 VAL HGy% A 61 LYS H 1.0 1.533 2.601 1790 1115 A 60 VAL HGx% A 60 VAL H 1.0 1.533 2.601 1791 1116 A 57 ASN HBx A 61 LYS H 1.0 1.819 3.771 1792 1116 A 57 ASN HBx A 60 VAL H 1.0 1.819 3.771 1793 1117 A 21 ASP HA A 24 TYR H 1.0 1.872 4.102 1794 1117 A 20 THR HA A 24 TYR H 1.0 1.872 4.102 1795 1117 A 25 ASP HA A 24 TYR H 1.0 1.872 4.102 1796 1118 A 60 VAL HA A 61 LYS H 1.0 1.733 3.345 1797 1118 A 60 VAL HA A 60 VAL H 1.0 1.733 3.345 1798 1119 A 59 ALA HA A 61 LYS H 1.0 1.868 4.082 1799 1119 A 59 ALA HA A 60 VAL H 1.0 1.868 4.082 1800 1120 A 57 ASN HA A 60 VAL H 1.0 1.754 3.438 1801 1120 A 57 ASN HA A 61 LYS H 1.0 1.754 3.438 1802 1121 A 58 ASP HA A 61 LYS H 1.0 1.816 3.756 1803 1121 A 58 ASP HA A 60 VAL H 1.0 1.816 3.756 1804 1122 A 63 ARG H A 63 ARG HE 1.0 1.899 4.303 1805 1122 A 63 ARG H A 67 ASN HD2y 1.0 1.899 4.303 1806 1122 A 44 LEU H A 48 HIS H 1.0 1.899 4.303 1807 1122 A 44 LEU H A 46 LEU H 1.0 1.899 4.303 1808 1123 A 42 ASP H A 44 LEU H 1.0 1.879 4.155 1809 1123 A 44 LEU H A 47 ARG H 1.0 1.879 4.155 1810 1124 A 43 PHE HEx A 24 TYR H 1.0 1.875 4.123 1811 1124 A 43 PHE HEy A 24 TYR H 1.0 1.875 4.123 1812 1124 A 24 TYR HDy A 24 TYR H 1.0 1.875 4.123 1813 1124 A 24 TYR HDx A 24 TYR H 1.0 1.875 4.123 1814 1125 A 71 LYS HGy A 69 ARG H 1.0 1.735 3.351 1815 1125 A 71 LYS HGx A 69 ARG H 1.0 1.735 3.351 1816 1125 A 69 ARG HBy A 69 ARG H 1.0 1.735 3.351 1817 1126 A 69 ARG H A 69 ARG HDy 1.0 1.861 4.029 1818 1126 A 69 ARG HDx A 69 ARG H 1.0 1.861 4.029 1819 1127 A 69 ARG HA A 69 ARG H 1.0 1.671 3.083 1820 1127 A 68 SER HBy A 69 ARG H 1.0 1.671 3.083 1821 1127 A 68 SER HBx A 69 ARG H 1.0 1.671 3.083 1822 1128 A 68 SER HA A 69 ARG H 1.0 1.768 3.506 1823 1128 A 67 ASN HA A 69 ARG H 1.0 1.768 3.506 1824 1129 A 44 LEU HDy% A 41 GLU H 1.0 1.864 4.046 1825 1129 A 17 VAL HGx% A 41 GLU H 1.0 1.864 4.046 1826 1129 A 17 VAL HGy% A 41 GLU H 1.0 1.864 4.046 1827 1130 A 54 ALA HB% A 55 ASP H 1.0 1.575 2.735 1828 1130 A 59 ALA HB% A 49 ARG HE 1.0 1.575 2.735 1829 1131 A 54 ALA H A 55 ASP H 1.0 1.818 3.770 1830 1131 A 49 ARG HE A 46 LEU H 1.0 1.818 3.770 1831 1132 A 22 ASP HBx A 22 ASP H 1.0 1.649 3.001 1832 1132 A 21 ASP HBx A 22 ASP H 1.0 1.649 3.001 1833 1133 A 22 ASP HA A 22 ASP H 1.0 1.656 3.028 1834 1133 A 21 ASP HA A 22 ASP H 1.0 1.656 3.028 1835 1134 A 56 ASP HBy A 49 ARG HE 1.0 1.653 3.015 1836 1134 A 56 ASP HBy A 58 ASP H 1.0 1.653 3.015 1837 1134 A 55 ASP HBy A 55 ASP H 1.0 1.653 3.015 1838 1135 A 59 ALA HA A 58 ASP H 1.0 1.866 4.062 1839 1135 A 49 ARG HA A 55 ASP H 1.0 1.866 4.062 1840 1135 A 59 ALA HA A 49 ARG HE 1.0 1.866 4.062 1841 1135 A 49 ARG HA A 49 ARG HE 1.0 1.866 4.062 1842 1136 A 36 LEU HBy A 36 LEU H 1.0 1.796 3.650 1843 1136 A 36 LEU H A 36 LEU HBx 1.0 1.796 3.650 1844 1137 A 44 LEU HDx% A 45 MET H 1.0 1.788 3.604 1845 1137 A 44 LEU HDy% A 45 MET H 1.0 1.788 3.604 1846 1137 A 46 LEU HDy% A 45 MET H 1.0 1.788 3.604 1847 1138 A 47 ARG HGx A 47 ARG H 1.0 1.731 3.331 1848 1138 A 47 ARG HBy A 47 ARG H 1.0 1.731 3.331 1849 1139 A 44 LEU HG A 45 MET H 1.0 1.826 3.816 1850 1139 A 41 GLU HBx A 45 MET H 1.0 1.826 3.816 1851 1140 A 41 GLU HA A 45 MET H 1.0 1.902 4.326 1852 1140 A 46 LEU HA A 45 MET H 1.0 1.902 4.326 1853 1141 A 47 ARG H A 48 HIS H 1.0 1.693 3.169 1854 1141 A 47 ARG H A 46 LEU H 1.0 1.693 3.169 1855 1142 A 47 ARG HBx A 48 HIS H 1.0 1.798 3.656 1856 1142 A 19 LEU HDy% A 48 HIS H 1.0 1.798 3.656 1857 1142 A 44 LEU HDy% A 48 HIS H 1.0 1.798 3.656 1858 1143 A 52 LEU HG A 48 HIS H 1.0 1.892 4.254 1859 1143 A 50 ALA HB% A 48 HIS H 1.0 1.892 4.254 1860 1143 A 49 ARG HGx A 48 HIS H 1.0 1.892 4.254 1861 1144 A 47 ARG HA A 48 HIS H 1.0 1.859 4.019 1862 1144 A 47 ARG HDy A 48 HIS H 1.0 1.859 4.019 1863 1144 A 47 ARG HDx A 48 HIS H 1.0 1.859 4.019 1864 1145 A 51 ALA H A 48 HIS H 1.0 1.848 3.950 1865 1145 A 48 HIS H A 47 ARG HE 1.0 1.848 3.950 1866 1145 A 45 MET H A 48 HIS H 1.0 1.848 3.950 1867 1146 A 49 ARG H A 48 HIS H 1.0 1.686 3.146 1868 1146 A 47 ARG H A 48 HIS H 1.0 1.686 3.146 1869 1147 A 36 LEU HG A 35 LYS H 1.0 1.830 3.840 1870 1147 A 35 LYS HGy A 35 LYS H 1.0 1.830 3.840 1871 1147 A 35 LYS HGx A 35 LYS H 1.0 1.830 3.840 1872 1148 A 54 ALA HB% A 56 ASP H 1.0 1.574 2.732 1873 1148 A 59 ALA HB% A 56 ASP H 1.0 1.574 2.732 1874 1149 A 30 HIS HA A 31 ASN H 1.0 1.878 4.150 1875 1149 A 28 ARG HA A 31 ASN H 1.0 1.878 4.150 1876 1150 A 50 ALA HA A 52 LEU H 1.0 1.811 3.727 1877 1150 A 49 ARG HA A 52 LEU H 1.0 1.811 3.727 1878 1151 A 52 LEU HA A 52 LEU H 1.0 1.720 3.286 1879 1151 A 48 HIS HA A 52 LEU H 1.0 1.720 3.286 1880 1152 A 52 LEU H A 54 ALA H 1.0 1.706 3.228 1881 1152 A 52 LEU H A 53 GLY H 1.0 1.706 3.228 1882 1153 A 46 LEU HDy% A 49 ARG H 1.0 1.914 4.426 1883 1153 A 47 ARG HBx A 49 ARG H 1.0 1.914 4.426 1884 1153 A 52 LEU HDy% A 49 ARG H 1.0 1.914 4.426 1885 1154 A 54 ALA HB% A 49 ARG H 1.0 1.810 3.726 1886 1154 A 59 ALA HB% A 49 ARG H 1.0 1.810 3.726 1887 1155 A 49 ARG HBx A 49 ARG H 1.0 1.770 3.516 1888 1155 A 28 ARG HBy A 28 ARG H 1.0 1.770 3.516 1889 1156 A 49 ARG HGy A 49 ARG H 1.0 1.743 3.389 1890 1156 A 49 ARG HBy A 49 ARG H 1.0 1.743 3.389 1891 1157 A 28 ARG H A 27 TRP HBy 1.0 1.872 4.102 1892 1157 A 28 ARG H A 27 TRP HBx 1.0 1.872 4.102 1893 1158 A 47 ARG HA A 49 ARG H 1.0 1.890 4.236 1894 1158 A 28 ARG HDy A 28 ARG H 1.0 1.890 4.236 1895 1158 A 28 ARG HDx A 28 ARG H 1.0 1.890 4.236 1896 1159 A 48 HIS HBx A 49 ARG H 1.0 1.711 3.247 1897 1159 A 28 ARG HA A 28 ARG H 1.0 1.711 3.247 1898 1159 A 48 HIS HBy A 49 ARG H 1.0 1.711 3.247 1899 1160 A 48 HIS HA A 49 ARG H 1.0 1.832 3.854 1900 1160 A 27 TRP HA A 28 ARG H 1.0 1.832 3.854 1901 1160 A 28 ARG H A 26 GLU HA 1.0 1.832 3.854 1902 1161 A 20 THR H A 19 LEU HDx% 1.0 1.911 4.405 1903 1161 A 19 LEU HDy% A 20 THR H 1.0 1.911 4.405 1904 1162 A 71 LYS HA A 68 SER H 1.0 1.828 3.828 1905 1162 A 65 TRP HA A 68 SER H 1.0 1.828 3.828 1906 1163 A 68 SER HA A 68 SER H 1.0 1.562 2.696 1907 1163 A 67 ASN HA A 68 SER H 1.0 1.562 2.696 1908 1164 A 57 ASN HA A 57 ASN HD2y 1.0 1.807 3.709 1909 1164 A 67 ASN HA A 70 THR H 1.0 1.807 3.709 1910 1165 A 70 THR HB A 70 THR H 1.0 1.548 2.648 1911 1165 A 70 THR HA A 70 THR H 1.0 1.548 2.648 1912 1166 A 67 ASN HD2x A 64 SER H 1.0 1.907 4.363 1913 1166 A 65 TRP HE3 A 64 SER H 1.0 1.907 4.363 1914 1167 A 65 TRP HH2 A 33 SER H 1.0 1.878 4.148 1915 1167 A 31 ASN H A 33 SER H 1.0 1.878 4.148 1916 1168 A 16 GLY H A 16 GLY HAy 1.0 1.718 3.278 1917 1168 A 16 GLY HAx A 16 GLY H 1.0 1.718 3.278 1918 1169 A 52 LEU HG A 53 GLY H 1.0 1.825 3.805 1919 1169 A 51 ALA HB% A 53 GLY H 1.0 1.825 3.805 1920 1170 A 68 SER HBy A 69 ARG HE 1.0 1.890 4.230 1921 1170 A 68 SER HBx A 69 ARG HE 1.0 1.890 4.230 1922 1170 A 69 ARG HA A 69 ARG HE 1.0 1.890 4.230 1923 1171 A 69 ARG HE A 69 ARG HDy 1.0 1.709 3.237 1924 1171 A 69 ARG HDx A 69 ARG HE 1.0 1.709 3.237 1925 1172 A 69 ARG HGy A 69 ARG HE 1.0 1.752 3.432 1926 1172 A 69 ARG HE A 69 ARG HGx 1.0 1.752 3.432 stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 20 THR N A 20 THR H 1.0 . . . 2 2 A 21 ASP N A 21 ASP H 1.0 . . . 3 3 A 23 GLU N A 23 GLU H 1.0 . . . 4 4 A 24 TYR N A 24 TYR H 1.0 . . . 5 5 A 25 ASP N A 25 ASP H 1.0 . . . 6 6 A 30 HIS N A 30 HIS H 1.0 . . . 7 7 A 31 ASN N A 31 ASN H 1.0 . . . 8 8 A 32 ALA N A 32 ALA H 1.0 . . . 9 9 A 33 SER N A 33 SER H 1.0 . . . 10 10 A 35 LYS N A 35 LYS H 1.0 . . . 11 11 A 36 LEU N A 36 LEU H 1.0 . . . 12 12 A 37 ASP N A 37 ASP H 1.0 . . . 13 13 A 39 SER N A 39 SER H 1.0 . . . 14 14 A 40 VAL N A 40 VAL H 1.0 . . . 15 15 A 41 GLU N A 41 GLU H 1.0 . . . 16 16 A 42 ASP N A 42 ASP H 1.0 . . . 17 17 A 44 LEU N A 44 LEU H 1.0 . . . 18 18 A 45 MET N A 45 MET H 1.0 . . . 19 19 A 46 LEU N A 46 LEU H 1.0 . . . 20 20 A 47 ARG N A 47 ARG H 1.0 . . . 21 21 A 48 HIS N A 48 HIS H 1.0 . . . 22 22 A 49 ARG N A 49 ARG H 1.0 . . . 23 23 A 50 ALA N A 50 ALA H 1.0 . . . 24 24 A 51 ALA N A 51 ALA H 1.0 . . . 25 25 A 53 GLY N A 53 GLY H 1.0 . . . 26 26 A 54 ALA N A 54 ALA H 1.0 . . . 27 27 A 55 ASP N A 55 ASP H 1.0 . . . 28 28 A 56 ASP N A 56 ASP H 1.0 . . . 29 29 A 57 ASN N A 57 ASN H 1.0 . . . 30 30 A 58 ASP N A 58 ASP H 1.0 . . . 31 31 A 59 ALA N A 59 ALA H 1.0 . . . 32 32 A 63 ARG N A 63 ARG H 1.0 . . . 33 33 A 64 SER N A 64 SER H 1.0 . . . 34 34 A 66 TRP N A 66 TRP H 1.0 . . . 35 35 A 67 ASN N A 67 ASN H 1.0 . . . 36 36 A 68 SER N A 68 SER H 1.0 . . . 37 37 A 69 ARG N A 69 ARG H 1.0 . . . stop_ save_