data_nef_c25536_2n0u 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 25546 PDB 2N0U PDB 2N14 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 23 GLN start . . 2 A 24 ILE middle . . 3 A 25 ASN middle . . 4 A 26 GLN middle . . 5 A 27 VAL middle . . 6 A 28 ARG middle . . 7 A 29 PRO middle . false 8 A 30 LYS middle . . 9 A 31 LEU middle . . 10 A 32 PRO middle . false 11 A 33 LEU middle . . 12 A 34 LEU middle . . 13 A 35 LYS middle . . 14 A 36 ILE middle . . 15 A 37 LEU middle . . 16 A 38 HIS middle . . 17 A 39 ALA middle . . 18 A 40 ALA middle . . 19 A 41 GLY middle . false 20 A 42 ALA middle . . 21 A 43 GLN middle . . 22 A 44 GLY middle . false 23 A 45 GLU middle . . 24 A 46 MET middle . . 25 A 47 PHE middle . . 26 A 48 THR middle . . 27 A 49 VAL middle . . 28 A 50 LYS middle . . 29 A 51 GLU middle . . 30 A 52 VAL middle . . 31 A 53 MET middle . . 32 A 54 HIS middle . . 33 A 55 TYR middle . . 34 A 56 LEU middle . . 35 A 57 GLY middle . false 36 A 58 GLN middle . . 37 A 59 TYR middle . . 38 A 60 ILE middle . . 39 A 61 MET middle . . 40 A 62 VAL middle . . 41 A 63 LYS middle . . 42 A 64 GLN middle . . 43 A 65 LEU middle . . 44 A 66 TYR middle . . 45 A 67 ASP middle . . 46 A 68 GLN middle . . 47 A 69 GLN middle . . 48 A 70 GLU middle . . 49 A 71 GLN middle . . 50 A 72 HIS middle . . 51 A 73 MET middle . . 52 A 74 VAL middle . . 53 A 75 TYR middle . . 54 A 76 CYS middle . . 55 A 77 GLY middle . false 56 A 78 GLY middle . false 57 A 79 ASP middle . . 58 A 80 LEU middle . . 59 A 81 LEU middle . . 60 A 82 GLY middle . false 61 A 83 GLU middle . . 62 A 84 LEU middle . . 63 A 85 LEU middle . . 64 A 86 GLY middle . false 65 A 87 ARG middle . . 66 A 88 GLN middle . . 67 A 89 SER middle . . 68 A 90 PHE middle . . 69 A 91 SER middle . . 70 A 92 VAL middle . . 71 A 93 LYS middle . . 72 A 94 ASP middle . . 73 A 95 PRO middle . false 74 A 96 SER middle . . 75 A 97 PRO middle . false 76 A 98 LEU middle . . 77 A 99 TYR middle . . 78 A 100 ASP middle . . 79 A 101 MET middle . . 80 A 102 LEU middle . . 81 A 103 ARG middle . . 82 A 104 LYS middle . . 83 A 105 ASN middle . . 84 A 106 LEU middle . . 85 A 107 VAL middle . . 86 A 108 THR middle . . 87 A 109 LEU middle . . 88 A 110 ALA middle . . 89 A 111 THR end . . 90 B 1 48M . . . 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 23 GLN H1 H 1 8.505 0.02 A 23 GLN HA H 1 4.313 0.02 A 23 GLN HBy H 1 2.046 0.02 A 23 GLN HBx H 1 1.911 0.02 A 23 GLN HG2 H 1 2.282 0.02 A 23 GLN HG3 H 1 2.282 0.02 A 23 GLN C C 13 175.792 0.3 A 23 GLN CA C 13 56.257 0.3 A 23 GLN CB C 13 29.689 0.3 A 23 GLN CG C 13 34.208 0.3 A 23 GLN N N 15 121.638 0.3 A 24 ILE H H 1 8.119 0.02 A 24 ILE HA H 1 4.147 0.02 A 24 ILE HB H 1 1.795 0.02 A 24 ILE HD1% H 1 0.79 0.02 A 24 ILE HG1y H 1 1.384 0.02 A 24 ILE HG1x H 1 1.111 0.02 A 24 ILE HG2% H 1 0.857 0.02 A 24 ILE C C 13 175.65 0.3 A 24 ILE CA C 13 61.342 0.3 A 24 ILE CB C 13 39.067 0.3 A 24 ILE CD1 C 13 13.336 0.3 A 24 ILE CG1 C 13 27.487 0.3 A 24 ILE CG2 C 13 18.004 0.3 A 24 ILE N N 15 120.668 0.3 A 25 ASN H H 1 8.446 0.02 A 25 ASN HA H 1 4.704 0.02 A 25 ASN HBy H 1 2.781 0.02 A 25 ASN HBx H 1 2.726 0.02 A 25 ASN HD21 H 1 7.523 0.02 A 25 ASN HD22 H 1 6.866 0.02 A 25 ASN C C 13 174.775 0.3 A 25 ASN CA C 13 53.73 0.3 A 25 ASN CB C 13 39.406 0.3 A 25 ASN N N 15 122.032 0.3 A 25 ASN ND2 N 15 112.02 0.3 A 26 GLN H H 1 8.215 0.02 A 26 GLN HA H 1 4.587 0.02 A 26 GLN HBy H 1 1.878 0.02 A 26 GLN HBx H 1 1.835 0.02 A 26 GLN HE21 H 1 7.25 0.02 A 26 GLN HE22 H 1 6.619 0.02 A 26 GLN HGy H 1 2.235 0.02 A 26 GLN HGx H 1 2.002 0.02 A 26 GLN C C 13 175.291 0.3 A 26 GLN CA C 13 55.702 0.3 A 26 GLN CB C 13 32.258 0.3 A 26 GLN CG C 13 35.045 0.3 A 26 GLN N N 15 118.655 0.3 A 26 GLN NE2 N 15 110.702 0.3 A 27 VAL H H 1 9.417 0.02 A 27 VAL HA H 1 4.867 0.02 A 27 VAL HB H 1 1.824 0.02 A 27 VAL HGx% H 1 0.765 0.02 A 27 VAL HGy% H 1 0.706 0.02 A 27 VAL C C 13 173.9 0.3 A 27 VAL CA C 13 59.116 0.3 A 27 VAL CB C 13 36.104 0.3 A 27 VAL CG1 C 13 22.582 0.3 A 27 VAL CG2 C 13 19.471 0.3 A 27 VAL N N 15 113.749 0.3 A 28 ARG H H 1 8.901 0.02 A 28 ARG HA H 1 5.457 0.02 A 28 ARG HBy H 1 1.857 0.02 A 28 ARG HBx H 1 1.571 0.02 A 28 ARG HD2 H 1 3.106 0.02 A 28 ARG HD3 H 1 3.106 0.02 A 28 ARG HE H 1 7.194 0.02 A 28 ARG HGy H 1 1.669 0.02 A 28 ARG HGx H 1 1.437 0.02 A 28 ARG C C 13 175.09 0.3 A 28 ARG CA C 13 52.571 0.3 A 28 ARG CB C 13 33.674 0.3 A 28 ARG CD C 13 43.906 0.3 A 28 ARG CG C 13 27.835 0.3 A 28 ARG N N 15 121.515 0.3 A 29 PRO HA H 1 4.995 0.02 A 29 PRO HB2 H 1 1.685 0.02 A 29 PRO HB3 H 1 1.685 0.02 A 29 PRO HDy H 1 4.126 0.02 A 29 PRO HDx H 1 4.006 0.02 A 29 PRO HGy H 1 1.805 0.02 A 29 PRO HGx H 1 1.386 0.02 A 29 PRO CA C 13 62.052 0.3 A 29 PRO CB C 13 32.261 0.3 A 29 PRO CD C 13 51.814 0.3 A 29 PRO CG C 13 28.392 0.3 A 30 LYS H H 1 8.476 0.02 A 30 LYS HA H 1 4.201 0.02 A 30 LYS HBy H 1 2.009 0.02 A 30 LYS HBx H 1 1.868 0.02 A 30 LYS HD2 H 1 1.73 0.02 A 30 LYS HD3 H 1 1.73 0.02 A 30 LYS HE2 H 1 2.739 0.02 A 30 LYS HE3 H 1 2.739 0.02 A 30 LYS HGy H 1 1.427 0.02 A 30 LYS HGx H 1 1.315 0.02 A 30 LYS C C 13 177.557 0.3 A 30 LYS CA C 13 57.722 0.3 A 30 LYS CB C 13 33.995 0.3 A 30 LYS CD C 13 30.177 0.3 A 30 LYS CE C 13 42.598 0.3 A 30 LYS CG C 13 27.695 0.3 A 30 LYS N N 15 121.291 0.3 A 31 LEU H H 1 8.584 0.02 A 31 LEU HA H 1 4.055 0.02 A 31 LEU HBy H 1 1.705 0.02 A 31 LEU HBx H 1 1.663 0.02 A 31 LEU HD1% H 1 0.89 0.02 A 31 LEU HD2% H 1 0.89 0.02 A 31 LEU HG H 1 1.598 0.02 A 31 LEU C C 13 174.261 0.3 A 31 LEU CA C 13 60.196 0.3 A 31 LEU CB C 13 39.85 0.3 A 31 LEU CD1 C 13 24.448 0.3 A 31 LEU CG C 13 27.405 0.3 A 31 LEU N N 15 121.578 0.3 A 32 PRO HA H 1 4.133 0.02 A 32 PRO HBy H 1 2.246 0.02 A 32 PRO HBx H 1 1.617 0.02 A 32 PRO HDy H 1 3.714 0.02 A 32 PRO HDx H 1 3.436 0.02 A 32 PRO HGy H 1 1.96 0.02 A 32 PRO HGx H 1 1.904 0.02 A 32 PRO CA C 13 66.578 0.3 A 32 PRO CB C 13 31.477 0.3 A 32 PRO CD C 13 50.007 0.3 A 32 PRO CG C 13 28.876 0.3 A 33 LEU H H 1 6.605 0.02 A 33 LEU HA H 1 3.975 0.02 A 33 LEU HBy H 1 1.809 0.02 A 33 LEU HBx H 1 1.084 0.02 A 33 LEU HDx% H 1 0.683 0.02 A 33 LEU HDy% H 1 0.657 0.02 A 33 LEU HG H 1 1.226 0.02 A 33 LEU C C 13 177.726 0.3 A 33 LEU CA C 13 56.14 0.3 A 33 LEU CB C 13 41.847 0.3 A 33 LEU CD1 C 13 27.644 0.3 A 33 LEU CD2 C 13 23.118 0.3 A 33 LEU CG C 13 27.681 0.3 A 33 LEU N N 15 113.19 0.3 A 34 LEU H H 1 8.399 0.02 A 34 LEU HA H 1 3.382 0.02 A 34 LEU HBy H 1 1.689 0.02 A 34 LEU HBx H 1 1.176 0.02 A 34 LEU HDx% H 1 0.871 0.02 A 34 LEU HDy% H 1 0.827 0.02 A 34 LEU HG H 1 1.601 0.02 A 34 LEU C C 13 177.321 0.3 A 34 LEU CA C 13 58.237 0.3 A 34 LEU CB C 13 41.911 0.3 A 34 LEU CD1 C 13 24.274 0.3 A 34 LEU CD2 C 13 25.64 0.3 A 34 LEU CG C 13 26.712 0.3 A 34 LEU N N 15 121.683 0.3 A 35 LYS H H 1 7.94 0.02 A 35 LYS HA H 1 3.793 0.02 A 35 LYS HBy H 1 1.761 0.02 A 35 LYS HBx H 1 1.702 0.02 A 35 LYS HD2 H 1 1.55 0.02 A 35 LYS HD3 H 1 1.55 0.02 A 35 LYS HE2 H 1 2.834 0.02 A 35 LYS HE3 H 1 2.834 0.02 A 35 LYS HG2 H 1 1.317 0.02 A 35 LYS HG3 H 1 1.317 0.02 A 35 LYS C C 13 180.207 0.3 A 35 LYS CA C 13 60.071 0.3 A 35 LYS CB C 13 32.469 0.3 A 35 LYS CD C 13 29.665 0.3 A 35 LYS CE C 13 42.335 0.3 A 35 LYS CG C 13 25.227 0.3 A 35 LYS N N 15 114.524 0.3 A 36 ILE H H 1 6.742 0.02 A 36 ILE HA H 1 3.304 0.02 A 36 ILE HB H 1 1.676 0.02 A 36 ILE HD1% H 1 0.348 0.02 A 36 ILE HG1y H 1 1.411 0.02 A 36 ILE HG1x H 1 0.674 0.02 A 36 ILE HG2% H 1 -0.292 0.02 A 36 ILE C C 13 176.418 0.3 A 36 ILE CA C 13 64.48 0.3 A 36 ILE CB C 13 37.604 0.3 A 36 ILE CD1 C 13 13.563 0.3 A 36 ILE CG1 C 13 29.023 0.3 A 36 ILE CG2 C 13 15.599 0.3 A 36 ILE N N 15 119.857 0.3 A 37 LEU H H 1 7.595 0.02 A 37 LEU HA H 1 3.522 0.02 A 37 LEU HBy H 1 1.361 0.02 A 37 LEU HBx H 1 0.57 0.02 A 37 LEU HDx% H 1 0.413 0.02 A 37 LEU HDy% H 1 0.11 0.02 A 37 LEU HG H 1 1.598 0.02 A 37 LEU C C 13 180.263 0.3 A 37 LEU CA C 13 58.28 0.3 A 37 LEU CB C 13 39.138 0.3 A 37 LEU CD1 C 13 23.24 0.3 A 37 LEU CD2 C 13 26.595 0.3 A 37 LEU CG C 13 26.632 0.3 A 37 LEU N N 15 116.695 0.3 A 38 HIS H H 1 8.955 0.02 A 38 HIS HA H 1 4.682 0.02 A 38 HIS HB2 H 1 3.035 0.02 A 38 HIS HB3 H 1 3.035 0.02 A 38 HIS HD2 H 1 6.371 0.02 A 38 HIS HE1 H 1 7.757 0.02 A 38 HIS C C 13 180.133 0.3 A 38 HIS CA C 13 57.291 0.3 A 38 HIS CB C 13 31.411 0.3 A 38 HIS CD2 C 13 114.535 0.3 A 38 HIS CE1 C 13 138.342 0.3 A 38 HIS N N 15 117.829 0.3 A 39 ALA H H 1 7.945 0.02 A 39 ALA HA H 1 4.246 0.02 A 39 ALA HB% H 1 1.734 0.02 A 39 ALA C C 13 178.835 0.3 A 39 ALA CA C 13 55.085 0.3 A 39 ALA CB C 13 18.111 0.3 A 39 ALA N N 15 124.006 0.3 A 40 ALA H H 1 7.665 0.02 A 40 ALA HA H 1 4.421 0.02 A 40 ALA HB% H 1 1.757 0.02 A 40 ALA C C 13 176.261 0.3 A 40 ALA CA C 13 52.136 0.3 A 40 ALA CB C 13 21.112 0.3 A 40 ALA N N 15 118.201 0.3 A 41 GLY H H 1 7.683 0.02 A 41 GLY HAy H 1 4.455 0.02 A 41 GLY HAx H 1 3.633 0.02 A 41 GLY C C 13 174.412 0.3 A 41 GLY CA C 13 44.967 0.3 A 41 GLY N N 15 103.92 0.3 A 42 ALA H H 1 7.578 0.02 A 42 ALA HA H 1 3.635 0.02 A 42 ALA HB% H 1 0.168 0.02 A 42 ALA C C 13 175.772 0.3 A 42 ALA CA C 13 52.68 0.3 A 42 ALA CB C 13 19.356 0.3 A 42 ALA N N 15 123.582 0.3 A 43 GLN H H 1 8.481 0.02 A 43 GLN HA H 1 4.349 0.02 A 43 GLN HBy H 1 1.937 0.02 A 43 GLN HBx H 1 1.799 0.02 A 43 GLN HE21 H 1 7.368 0.02 A 43 GLN HE22 H 1 6.686 0.02 A 43 GLN HGy H 1 2.235 0.02 A 43 GLN HGx H 1 2.169 0.02 A 43 GLN C C 13 175.528 0.3 A 43 GLN CA C 13 54.651 0.3 A 43 GLN CB C 13 32.414 0.3 A 43 GLN CG C 13 33.924 0.3 A 43 GLN N N 15 116.996 0.3 A 43 GLN NE2 N 15 111.855 0.3 A 44 GLY H H 1 8.51 0.02 A 44 GLY HAy H 1 4.134 0.02 A 44 GLY HAx H 1 3.747 0.02 A 44 GLY C C 13 173.892 0.3 A 44 GLY CA C 13 44.698 0.3 A 44 GLY N N 15 108.128 0.3 A 45 GLU H H 1 8.245 0.02 A 45 GLU HA H 1 4.608 0.02 A 45 GLU HBy H 1 2.08 0.02 A 45 GLU HBx H 1 1.804 0.02 A 45 GLU HGy H 1 2.161 0.02 A 45 GLU HGx H 1 2.095 0.02 A 45 GLU C C 13 174.007 0.3 A 45 GLU CA C 13 56.829 0.3 A 45 GLU CB C 13 33.051 0.3 A 45 GLU CG C 13 36.742 0.3 A 45 GLU N N 15 114.113 0.3 A 46 MET H H 1 6.872 0.02 A 46 MET HA H 1 5.051 0.02 A 46 MET HB2 H 1 1.661 0.02 A 46 MET HB3 H 1 1.661 0.02 A 46 MET HE% H 1 1.873 0.02 A 46 MET HGy H 1 2.319 0.02 A 46 MET HGx H 1 2.221 0.02 A 46 MET C C 13 174.637 0.3 A 46 MET CA C 13 54.264 0.3 A 46 MET CB C 13 35.854 0.3 A 46 MET CE C 13 17.055 0.3 A 46 MET CG C 13 32.085 0.3 A 46 MET N N 15 115.322 0.3 A 47 PHE H H 1 8.623 0.02 A 47 PHE HA H 1 5.094 0.02 A 47 PHE HBy H 1 3.638 0.02 A 47 PHE HBx H 1 2.082 0.02 A 47 PHE HD1 H 1 6.843 0.02 A 47 PHE HD2 H 1 6.843 0.02 A 47 PHE HE1 H 1 6.93 0.02 A 47 PHE HE2 H 1 6.93 0.02 A 47 PHE HZ H 1 6.596 0.02 A 47 PHE C C 13 175.742 0.3 A 47 PHE CA C 13 57.338 0.3 A 47 PHE CB C 13 46.912 0.3 A 47 PHE CD1 C 13 133.182 0.3 A 47 PHE CD2 C 13 133.182 0.3 A 47 PHE CE1 C 13 131.321 0.3 A 47 PHE CE2 C 13 131.321 0.3 A 47 PHE CZ C 13 129.77 0.3 A 47 PHE N N 15 119.008 0.3 A 48 THR H H 1 9.108 0.02 A 48 THR HA H 1 4.99 0.02 A 48 THR HB H 1 4.74 0.02 A 48 THR HG2% H 1 1.287 0.02 A 48 THR C C 13 176.666 0.3 A 48 THR CA C 13 61.095 0.3 A 48 THR CB C 13 71.136 0.3 A 48 THR CG2 C 13 22.488 0.3 A 48 THR N N 15 110.544 0.3 A 49 VAL H H 1 9.044 0.02 A 49 VAL HA H 1 3.381 0.02 A 49 VAL HB H 1 1.999 0.02 A 49 VAL HGx% H 1 0.944 0.02 A 49 VAL HGy% H 1 0.837 0.02 A 49 VAL C C 13 177.726 0.3 A 49 VAL CA C 13 68.241 0.3 A 49 VAL CB C 13 31.555 0.3 A 49 VAL CG1 C 13 23.82 0.3 A 49 VAL CG2 C 13 21.899 0.3 A 49 VAL N N 15 121.588 0.3 A 50 LYS H H 1 8.132 0.02 A 50 LYS HA H 1 3.959 0.02 A 50 LYS HBy H 1 1.837 0.02 A 50 LYS HBx H 1 1.746 0.02 A 50 LYS HDy H 1 1.667 0.02 A 50 LYS HDx H 1 1.57 0.02 A 50 LYS HEy H 1 2.958 0.02 A 50 LYS HEx H 1 2.855 0.02 A 50 LYS HGy H 1 1.516 0.02 A 50 LYS HGx H 1 1.37 0.02 A 50 LYS C C 13 180.06 0.3 A 50 LYS CA C 13 60.356 0.3 A 50 LYS CB C 13 32.839 0.3 A 50 LYS CD C 13 29.73 0.3 A 50 LYS CE C 13 42.234 0.3 A 50 LYS CG C 13 25.5 0.3 A 50 LYS N N 15 118.341 0.3 A 51 GLU H H 1 7.877 0.02 A 51 GLU HA H 1 4.046 0.02 A 51 GLU HBy H 1 2.864 0.02 A 51 GLU HBx H 1 2.217 0.02 A 51 GLU HGy H 1 2.496 0.02 A 51 GLU HGx H 1 2.351 0.02 A 51 GLU C C 13 178.583 0.3 A 51 GLU CA C 13 59.903 0.3 A 51 GLU CB C 13 31.456 0.3 A 51 GLU CG C 13 38.162 0.3 A 51 GLU N N 15 119.521 0.3 A 52 VAL H H 1 8.245 0.02 A 52 VAL HA H 1 3.25 0.02 A 52 VAL HB H 1 2.367 0.02 A 52 VAL HGx% H 1 0.799 0.02 A 52 VAL HGy% H 1 0.763 0.02 A 52 VAL C C 13 177.546 0.3 A 52 VAL CA C 13 67.901 0.3 A 52 VAL CB C 13 31.377 0.3 A 52 VAL CG1 C 13 23.027 0.3 A 52 VAL CG2 C 13 22.177 0.3 A 52 VAL N N 15 119.044 0.3 A 53 MET H H 1 8.188 0.02 A 53 MET HA H 1 4.198 0.02 A 53 MET HBy H 1 2.698 0.02 A 53 MET HBx H 1 2.616 0.02 A 53 MET HE% H 1 1.715 0.02 A 53 MET HGy H 1 2.227 0.02 A 53 MET HGx H 1 1.904 0.02 A 53 MET C C 13 178.699 0.3 A 53 MET CA C 13 57.748 0.3 A 53 MET CB C 13 32.68 0.3 A 53 MET CE C 13 17.028 0.3 A 53 MET CG C 13 30.944 0.3 A 53 MET N N 15 114.669 0.3 A 54 HIS H H 1 8.091 0.02 A 54 HIS HA H 1 4.117 0.02 A 54 HIS HBy H 1 3.12 0.02 A 54 HIS HBx H 1 2.985 0.02 A 54 HIS HD2 H 1 5.156 0.02 A 54 HIS HE1 H 1 7.535 0.02 A 54 HIS C C 13 178.675 0.3 A 54 HIS CA C 13 60.272 0.3 A 54 HIS CB C 13 30.597 0.3 A 54 HIS CD2 C 13 118.696 0.3 A 54 HIS CE1 C 13 138.783 0.3 A 54 HIS N N 15 118.909 0.3 A 55 TYR H H 1 8.468 0.02 A 55 TYR HA H 1 3.852 0.02 A 55 TYR HBy H 1 2.834 0.02 A 55 TYR HBx H 1 2.656 0.02 A 55 TYR HD1 H 1 6.99 0.02 A 55 TYR HD2 H 1 6.99 0.02 A 55 TYR HE1 H 1 6.857 0.02 A 55 TYR HE2 H 1 6.857 0.02 A 55 TYR C C 13 177.794 0.3 A 55 TYR CA C 13 63.717 0.3 A 55 TYR CB C 13 39.129 0.3 A 55 TYR CD1 C 13 133.195 0.3 A 55 TYR CD2 C 13 133.195 0.3 A 55 TYR CE1 C 13 118.322 0.3 A 55 TYR CE2 C 13 118.322 0.3 A 55 TYR N N 15 116.769 0.3 A 56 LEU H H 1 8.455 0.02 A 56 LEU HA H 1 3.809 0.02 A 56 LEU HBy H 1 1.869 0.02 A 56 LEU HBx H 1 1.437 0.02 A 56 LEU HDx% H 1 0.695 0.02 A 56 LEU HDy% H 1 0.483 0.02 A 56 LEU HG H 1 1.624 0.02 A 56 LEU C C 13 178.484 0.3 A 56 LEU CA C 13 58.622 0.3 A 56 LEU CB C 13 42.581 0.3 A 56 LEU CD1 C 13 26.312 0.3 A 56 LEU CD2 C 13 24.347 0.3 A 56 LEU CG C 13 27.148 0.3 A 56 LEU N N 15 120.819 0.3 A 57 GLY H H 1 7.691 0.02 A 57 GLY HAy H 1 2.968 0.02 A 57 GLY HAx H 1 2.439 0.02 A 57 GLY C C 13 175.647 0.3 A 57 GLY CA C 13 47.239 0.3 A 57 GLY N N 15 104.896 0.3 A 58 GLN H H 1 7.704 0.02 A 58 GLN HA H 1 3.812 0.02 A 58 GLN HB2 H 1 1.932 0.02 A 58 GLN HB3 H 1 1.932 0.02 A 58 GLN HE21 H 1 7.419 0.02 A 58 GLN HE22 H 1 6.896 0.02 A 58 GLN HG2 H 1 2.033 0.02 A 58 GLN HG3 H 1 2.033 0.02 A 58 GLN C C 13 177.429 0.3 A 58 GLN CA C 13 58.678 0.3 A 58 GLN CB C 13 28.875 0.3 A 58 GLN CG C 13 33.925 0.3 A 58 GLN N N 15 119.08 0.3 A 58 GLN NE2 N 15 111.671 0.3 A 59 TYR H H 1 8.5 0.02 A 59 TYR HA H 1 3.804 0.02 A 59 TYR HBy H 1 3.319 0.02 A 59 TYR HBx H 1 2.986 0.02 A 59 TYR HD1 H 1 6.76 0.02 A 59 TYR HD2 H 1 6.76 0.02 A 59 TYR HE1 H 1 6.669 0.02 A 59 TYR HE2 H 1 6.669 0.02 A 59 TYR C C 13 176.215 0.3 A 59 TYR CA C 13 62.565 0.3 A 59 TYR CB C 13 38.619 0.3 A 59 TYR CD1 C 13 133.001 0.3 A 59 TYR CD2 C 13 133.001 0.3 A 59 TYR CE1 C 13 117.662 0.3 A 59 TYR CE2 C 13 117.662 0.3 A 59 TYR N N 15 120.995 0.3 A 60 ILE H H 1 7.585 0.02 A 60 ILE HA H 1 3.303 0.02 A 60 ILE HB H 1 1.85 0.02 A 60 ILE HD1% H 1 0.978 0.02 A 60 ILE HG1y H 1 1.885 0.02 A 60 ILE HG1x H 1 1.017 0.02 A 60 ILE HG2% H 1 0.863 0.02 A 60 ILE C C 13 177.952 0.3 A 60 ILE CA C 13 65.547 0.3 A 60 ILE CB C 13 38.431 0.3 A 60 ILE CD1 C 13 15.635 0.3 A 60 ILE CG1 C 13 30.643 0.3 A 60 ILE CG2 C 13 19.404 0.3 A 60 ILE N N 15 116.532 0.3 A 61 MET H H 1 7.707 0.02 A 61 MET HA H 1 4.547 0.02 A 61 MET HBy H 1 2.534 0.02 A 61 MET HBx H 1 2.409 0.02 A 61 MET HE% H 1 1.652 0.02 A 61 MET HGy H 1 2.112 0.02 A 61 MET HGx H 1 2.044 0.02 A 61 MET C C 13 180.579 0.3 A 61 MET CA C 13 57.563 0.3 A 61 MET CB C 13 31.473 0.3 A 61 MET CE C 13 15.621 0.3 A 61 MET CG C 13 30.296 0.3 A 61 MET N N 15 115.556 0.3 A 62 VAL H H 1 9.009 0.02 A 62 VAL HA H 1 3.828 0.02 A 62 VAL HB H 1 2.071 0.02 A 62 VAL HGx% H 1 1.026 0.02 A 62 VAL HGy% H 1 0.909 0.02 A 62 VAL C C 13 178.786 0.3 A 62 VAL CA C 13 66.112 0.3 A 62 VAL CB C 13 31.991 0.3 A 62 VAL CG1 C 13 22.388 0.3 A 62 VAL CG2 C 13 21.097 0.3 A 62 VAL N N 15 120.872 0.3 A 63 LYS H H 1 7.812 0.02 A 63 LYS HA H 1 4.057 0.02 A 63 LYS HBy H 1 1.566 0.02 A 63 LYS HBx H 1 1.299 0.02 A 63 LYS HDy H 1 1.225 0.02 A 63 LYS HDx H 1 1.116 0.02 A 63 LYS HEy H 1 2.791 0.02 A 63 LYS HEx H 1 2.742 0.02 A 63 LYS HG2 H 1 0.84 0.02 A 63 LYS HG3 H 1 0.84 0.02 A 63 LYS HZ1 H 1 6.676 0.02 A 63 LYS HZ2 H 1 6.676 0.02 A 63 LYS HZ3 H 1 6.676 0.02 A 63 LYS C C 13 174.784 0.3 A 63 LYS CA C 13 56.083 0.3 A 63 LYS CB C 13 31.461 0.3 A 63 LYS CD C 13 28.741 0.3 A 63 LYS CE C 13 42.278 0.3 A 63 LYS CG C 13 25.209 0.3 A 63 LYS N N 15 116.652 0.3 A 64 GLN H H 1 7.642 0.02 A 64 GLN HA H 1 3.606 0.02 A 64 GLN HBy H 1 2.039 0.02 A 64 GLN HBx H 1 1.964 0.02 A 64 GLN HE21 H 1 7.451 0.02 A 64 GLN HE22 H 1 6.689 0.02 A 64 GLN HG2 H 1 2.145 0.02 A 64 GLN HG3 H 1 2.145 0.02 A 64 GLN C C 13 175.55 0.3 A 64 GLN CA C 13 56.979 0.3 A 64 GLN CB C 13 26.248 0.3 A 64 GLN CG C 13 34.705 0.3 A 64 GLN N N 15 115.445 0.3 A 64 GLN NE2 N 15 111.288 0.3 A 65 LEU H H 1 8.097 0.02 A 65 LEU HA H 1 4.457 0.02 A 65 LEU HBy H 1 1.824 0.02 A 65 LEU HBx H 1 1.465 0.02 A 65 LEU HDx% H 1 0.755 0.02 A 65 LEU HDy% H 1 0.766 0.02 A 65 LEU HG H 1 1.55 0.02 A 65 LEU C C 13 175.979 0.3 A 65 LEU CA C 13 54.654 0.3 A 65 LEU CB C 13 41.95 0.3 A 65 LEU CD1 C 13 21.959 0.3 A 65 LEU CD2 C 13 26.872 0.3 A 65 LEU CG C 13 27.552 0.3 A 65 LEU N N 15 115.724 0.3 A 66 TYR H H 1 6.856 0.02 A 66 TYR HA H 1 5.292 0.02 A 66 TYR HBy H 1 3.114 0.02 A 66 TYR HBx H 1 2.447 0.02 A 66 TYR HD1 H 1 6.827 0.02 A 66 TYR HD2 H 1 6.827 0.02 A 66 TYR HE1 H 1 6.83 0.02 A 66 TYR HE2 H 1 6.83 0.02 A 66 TYR C C 13 173.941 0.3 A 66 TYR CA C 13 54.629 0.3 A 66 TYR CB C 13 39.748 0.3 A 66 TYR CD1 C 13 133.378 0.3 A 66 TYR CD2 C 13 133.378 0.3 A 66 TYR CE1 C 13 118.337 0.3 A 66 TYR CE2 C 13 118.337 0.3 A 66 TYR N N 15 112.953 0.3 A 67 ASP H H 1 8.324 0.02 A 67 ASP HA H 1 4.438 0.02 A 67 ASP HBy H 1 3.26 0.02 A 67 ASP HBx H 1 2.381 0.02 A 67 ASP C C 13 176.779 0.3 A 67 ASP CA C 13 53.98 0.3 A 67 ASP CB C 13 43.532 0.3 A 67 ASP N N 15 122.196 0.3 A 68 GLN H H 1 8.563 0.02 A 68 GLN HA H 1 3.886 0.02 A 68 GLN HBy H 1 2.07 0.02 A 68 GLN HBx H 1 1.965 0.02 A 68 GLN HE21 H 1 7.445 0.02 A 68 GLN HE22 H 1 6.569 0.02 A 68 GLN HG2 H 1 2.338 0.02 A 68 GLN HG3 H 1 2.338 0.02 A 68 GLN C C 13 177.122 0.3 A 68 GLN CA C 13 59.031 0.3 A 68 GLN CB C 13 29.087 0.3 A 68 GLN CG C 13 34.253 0.3 A 68 GLN N N 15 123.042 0.3 A 68 GLN NE2 N 15 111.609 0.3 A 69 GLN H H 1 8.356 0.02 A 69 GLN HA H 1 4.357 0.02 A 69 GLN HBy H 1 2.123 0.02 A 69 GLN HBx H 1 2.027 0.02 A 69 GLN HE21 H 1 7.597 0.02 A 69 GLN HE22 H 1 6.778 0.02 A 69 GLN HGy H 1 2.329 0.02 A 69 GLN HGx H 1 2.299 0.02 A 69 GLN C C 13 176.272 0.3 A 69 GLN CA C 13 57.129 0.3 A 69 GLN CB C 13 30.124 0.3 A 69 GLN CG C 13 34.66 0.3 A 69 GLN N N 15 115.263 0.3 A 69 GLN NE2 N 15 111.958 0.3 A 70 GLU H H 1 8.227 0.02 A 70 GLU HA H 1 4.519 0.02 A 70 GLU HB2 H 1 1.724 0.02 A 70 GLU HB3 H 1 1.724 0.02 A 70 GLU HGy H 1 2.131 0.02 A 70 GLU HGx H 1 1.99 0.02 A 70 GLU C C 13 175.953 0.3 A 70 GLU CA C 13 54.957 0.3 A 70 GLU CB C 13 29.56 0.3 A 70 GLU CG C 13 36.522 0.3 A 70 GLU N N 15 122.549 0.3 A 71 GLN H H 1 8.253 0.02 A 71 GLN HA H 1 4.552 0.02 A 71 GLN HBy H 1 2.237 0.02 A 71 GLN HBx H 1 2.005 0.02 A 71 GLN HE21 H 1 7.425 0.02 A 71 GLN HE22 H 1 6.703 0.02 A 71 GLN HGy H 1 2.627 0.02 A 71 GLN HGx H 1 2.478 0.02 A 71 GLN C C 13 174.842 0.3 A 71 GLN CA C 13 59.697 0.3 A 71 GLN CB C 13 27.93 0.3 A 71 GLN CG C 13 34.647 0.3 A 71 GLN N N 15 118.815 0.3 A 71 GLN NE2 N 15 109.203 0.3 A 72 HIS H H 1 7.412 0.02 A 72 HIS HA H 1 4.173 0.02 A 72 HIS HBy H 1 2.952 0.02 A 72 HIS HBx H 1 2.846 0.02 A 72 HIS HD2 H 1 7.043 0.02 A 72 HIS HE1 H 1 7.737 0.02 A 72 HIS C C 13 173.749 0.3 A 72 HIS CA C 13 56.259 0.3 A 72 HIS CB C 13 31.072 0.3 A 72 HIS CD2 C 13 118.131 0.3 A 72 HIS CE1 C 13 139.167 0.3 A 72 HIS N N 15 111.141 0.3 A 73 MET H H 1 7.766 0.02 A 73 MET HA H 1 4.584 0.02 A 73 MET HB2 H 1 1.876 0.02 A 73 MET HB3 H 1 1.876 0.02 A 73 MET HE% H 1 1.683 0.02 A 73 MET HG2 H 1 1.562 0.02 A 73 MET HG3 H 1 1.562 0.02 A 73 MET C C 13 174.311 0.3 A 73 MET CA C 13 53.186 0.3 A 73 MET CB C 13 31.731 0.3 A 73 MET CE C 13 15.037 0.3 A 73 MET CG C 13 31.603 0.3 A 73 MET N N 15 119.35 0.3 A 74 VAL H H 1 8.456 0.02 A 74 VAL HA H 1 3.948 0.02 A 74 VAL HB H 1 0.898 0.02 A 74 VAL HGx% H 1 0.565 0.02 A 74 VAL HGy% H 1 0.45 0.02 A 74 VAL C C 13 174.756 0.3 A 74 VAL CA C 13 61.622 0.3 A 74 VAL CB C 13 32.814 0.3 A 74 VAL CG1 C 13 21.844 0.3 A 74 VAL CG2 C 13 21.953 0.3 A 74 VAL N N 15 122.542 0.3 A 75 TYR H H 1 8.213 0.02 A 75 TYR HA H 1 4.759 0.02 A 75 TYR HBy H 1 3.068 0.02 A 75 TYR HBx H 1 2.668 0.02 A 75 TYR HD1 H 1 6.993 0.02 A 75 TYR HD2 H 1 6.993 0.02 A 75 TYR HE1 H 1 6.733 0.02 A 75 TYR HE2 H 1 6.733 0.02 A 75 TYR C C 13 174.923 0.3 A 75 TYR CA C 13 57.812 0.3 A 75 TYR CB C 13 38.849 0.3 A 75 TYR CD1 C 13 132.919 0.3 A 75 TYR CD2 C 13 132.919 0.3 A 75 TYR CE1 C 13 118.053 0.3 A 75 TYR CE2 C 13 118.053 0.3 A 75 TYR N N 15 125.68 0.3 A 76 CYS H H 1 8.307 0.02 A 76 CYS HA H 1 4.739 0.02 A 76 CYS HBy H 1 3.246 0.02 A 76 CYS HBx H 1 2.24 0.02 A 76 CYS C C 13 174.231 0.3 A 76 CYS CA C 13 56.103 0.3 A 76 CYS CB C 13 29.697 0.3 A 76 CYS N N 15 116.702 0.3 A 77 GLY H H 1 8.484 0.02 A 77 GLY HAy H 1 3.943 0.02 A 77 GLY HAx H 1 3.862 0.02 A 77 GLY C C 13 174.662 0.3 A 77 GLY CA C 13 47.149 0.3 A 77 GLY N N 15 111.569 0.3 A 78 GLY H H 1 8.889 0.02 A 78 GLY HAy H 1 4.017 0.02 A 78 GLY HAx H 1 3.838 0.02 A 78 GLY C C 13 172.811 0.3 A 78 GLY CA C 13 45.76 0.3 A 78 GLY N N 15 113.022 0.3 A 79 ASP H H 1 7.789 0.02 A 79 ASP HA H 1 4.888 0.02 A 79 ASP HBy H 1 2.574 0.02 A 79 ASP HBx H 1 2.432 0.02 A 79 ASP C C 13 176.302 0.3 A 79 ASP CA C 13 53.093 0.3 A 79 ASP CB C 13 47.264 0.3 A 79 ASP N N 15 119.431 0.3 A 80 LEU H H 1 8.549 0.02 A 80 LEU HA H 1 4.064 0.02 A 80 LEU HBy H 1 1.593 0.02 A 80 LEU HBx H 1 1.458 0.02 A 80 LEU HD1% H 1 0.852 0.02 A 80 LEU HD2% H 1 0.852 0.02 A 80 LEU HG H 1 1.574 0.02 A 80 LEU C C 13 179.059 0.3 A 80 LEU CA C 13 58.803 0.3 A 80 LEU CB C 13 42.403 0.3 A 80 LEU CD1 C 13 24.578 0.3 A 80 LEU CG C 13 27.468 0.3 A 80 LEU N N 15 128.421 0.3 A 81 LEU H H 1 9.973 0.02 A 81 LEU HA H 1 3.867 0.02 A 81 LEU HBy H 1 1.754 0.02 A 81 LEU HBx H 1 1.473 0.02 A 81 LEU HDx% H 1 0.864 0.02 A 81 LEU HDy% H 1 0.682 0.02 A 81 LEU HG H 1 1.612 0.02 A 81 LEU C C 13 178.542 0.3 A 81 LEU CA C 13 58.771 0.3 A 81 LEU CB C 13 42.649 0.3 A 81 LEU CD1 C 13 26.49 0.3 A 81 LEU CD2 C 13 23.061 0.3 A 81 LEU CG C 13 26.832 0.3 A 81 LEU N N 15 118.633 0.3 A 82 GLY H H 1 7.559 0.02 A 82 GLY HAy H 1 4.001 0.02 A 82 GLY HAx H 1 3.959 0.02 A 82 GLY C C 13 176.907 0.3 A 82 GLY CA C 13 48.063 0.3 A 82 GLY N N 15 105.564 0.3 A 83 GLU H H 1 7.536 0.02 A 83 GLU HA H 1 3.982 0.02 A 83 GLU HB2 H 1 2.076 0.02 A 83 GLU HB3 H 1 2.076 0.02 A 83 GLU HGy H 1 2.221 0.02 A 83 GLU HGx H 1 2.088 0.02 A 83 GLU C C 13 179.215 0.3 A 83 GLU CA C 13 59.161 0.3 A 83 GLU CB C 13 29.493 0.3 A 83 GLU CG C 13 36.458 0.3 A 83 GLU N N 15 121.706 0.3 A 84 LEU H H 1 7.701 0.02 A 84 LEU HA H 1 4.024 0.02 A 84 LEU HBy H 1 1.605 0.02 A 84 LEU HBx H 1 1.447 0.02 A 84 LEU HDx% H 1 0.641 0.02 A 84 LEU HDy% H 1 0.631 0.02 A 84 LEU HG H 1 1.505 0.02 A 84 LEU C C 13 178.842 0.3 A 84 LEU CA C 13 57.475 0.3 A 84 LEU CB C 13 42.487 0.3 A 84 LEU CD1 C 13 24.588 0.3 A 84 LEU CD2 C 13 25.103 0.3 A 84 LEU CG C 13 27.448 0.3 A 84 LEU N N 15 118.455 0.3 A 85 LEU H H 1 8.117 0.02 A 85 LEU HA H 1 3.776 0.02 A 85 LEU HBy H 1 1.727 0.02 A 85 LEU HBx H 1 1.218 0.02 A 85 LEU HDx% H 1 0.454 0.02 A 85 LEU HDy% H 1 0.374 0.02 A 85 LEU HG H 1 1.541 0.02 A 85 LEU C C 13 177.773 0.3 A 85 LEU CA C 13 56.375 0.3 A 85 LEU CB C 13 43.893 0.3 A 85 LEU CD1 C 13 27.007 0.3 A 85 LEU CD2 C 13 25.06 0.3 A 85 LEU CG C 13 27.261 0.3 A 85 LEU N N 15 115.271 0.3 A 86 GLY H H 1 7.983 0.02 A 86 GLY HAy H 1 3.904 0.02 A 86 GLY HAx H 1 3.756 0.02 A 86 GLY C C 13 174.09 0.3 A 86 GLY CA C 13 46.315 0.3 A 86 GLY N N 15 107.216 0.3 A 87 ARG H H 1 7.411 0.02 A 87 ARG HA H 1 4.654 0.02 A 87 ARG HBy H 1 2.047 0.02 A 87 ARG HBx H 1 1.474 0.02 A 87 ARG HD2 H 1 3.176 0.02 A 87 ARG HD3 H 1 3.176 0.02 A 87 ARG HE H 1 6.775 0.02 A 87 ARG HGy H 1 1.471 0.02 A 87 ARG HGx H 1 1.339 0.02 A 87 ARG C C 13 174.72 0.3 A 87 ARG CA C 13 54.279 0.3 A 87 ARG CB C 13 34.395 0.3 A 87 ARG CD C 13 43.728 0.3 A 87 ARG CG C 13 26.52 0.3 A 87 ARG N N 15 113.296 0.3 A 88 GLN H H 1 8.653 0.02 A 88 GLN HA H 1 4.053 0.02 A 88 GLN HBy H 1 2.209 0.02 A 88 GLN HBx H 1 2.038 0.02 A 88 GLN HE21 H 1 7.461 0.02 A 88 GLN HE22 H 1 7.131 0.02 A 88 GLN HG2 H 1 2.379 0.02 A 88 GLN HG3 H 1 2.379 0.02 A 88 GLN C C 13 175.946 0.3 A 88 GLN CA C 13 57.412 0.3 A 88 GLN CB C 13 29.79 0.3 A 88 GLN CG C 13 34.602 0.3 A 88 GLN N N 15 115.575 0.3 A 88 GLN NE2 N 15 113.222 0.3 A 89 SER H H 1 7.625 0.02 A 89 SER HA H 1 5.428 0.02 A 89 SER HBy H 1 3.817 0.02 A 89 SER HBx H 1 3.395 0.02 A 89 SER C C 13 173.062 0.3 A 89 SER CA C 13 57.011 0.3 A 89 SER CB C 13 66.56 0.3 A 89 SER N N 15 110.451 0.3 A 90 PHE H H 1 8.549 0.02 A 90 PHE HA H 1 4.685 0.02 A 90 PHE HBy H 1 3.235 0.02 A 90 PHE HBx H 1 2.898 0.02 A 90 PHE HD1 H 1 6.791 0.02 A 90 PHE HD2 H 1 6.791 0.02 A 90 PHE HE1 H 1 6.848 0.02 A 90 PHE HE2 H 1 6.848 0.02 A 90 PHE HZ H 1 7.086 0.02 A 90 PHE C C 13 170.337 0.3 A 90 PHE CA C 13 57.198 0.3 A 90 PHE CB C 13 40.412 0.3 A 90 PHE CD1 C 13 132.331 0.3 A 90 PHE CD2 C 13 132.331 0.3 A 90 PHE CE1 C 13 130.193 0.3 A 90 PHE CE2 C 13 130.193 0.3 A 90 PHE CZ C 13 128.525 0.3 A 90 PHE N N 15 115.159 0.3 A 91 SER H H 1 9.01 0.02 A 91 SER HA H 1 5.35 0.02 A 91 SER HBy H 1 4.023 0.02 A 91 SER HBx H 1 3.536 0.02 A 91 SER C C 13 178.1 0.3 A 91 SER CA C 13 54.748 0.3 A 91 SER CB C 13 65.325 0.3 A 91 SER N N 15 113.637 0.3 A 92 VAL H H 1 8.948 0.02 A 92 VAL HA H 1 3.908 0.02 A 92 VAL HB H 1 2.068 0.02 A 92 VAL HGx% H 1 0.804 0.02 A 92 VAL HGy% H 1 0.241 0.02 A 92 VAL C C 13 175.704 0.3 A 92 VAL CA C 13 64 0.3 A 92 VAL CB C 13 30.8 0.3 A 92 VAL CG1 C 13 22.81 0.3 A 92 VAL CG2 C 13 18.555 0.3 A 92 VAL N N 15 120.56 0.3 A 93 LYS H H 1 8.086 0.02 A 93 LYS HA H 1 3.947 0.02 A 93 LYS HBy H 1 1.731 0.02 A 93 LYS HBx H 1 1.395 0.02 A 93 LYS HDy H 1 1.245 0.02 A 93 LYS HDx H 1 1.115 0.02 A 93 LYS HE2 H 1 2.25 0.02 A 93 LYS HE3 H 1 2.25 0.02 A 93 LYS HGy H 1 1.061 0.02 A 93 LYS HGx H 1 0.941 0.02 A 93 LYS HZ1 H 1 7.097 0.02 A 93 LYS HZ2 H 1 7.097 0.02 A 93 LYS HZ3 H 1 7.097 0.02 A 93 LYS C C 13 177.088 0.3 A 93 LYS CA C 13 57.699 0.3 A 93 LYS CB C 13 32.258 0.3 A 93 LYS CD C 13 29.08 0.3 A 93 LYS CE C 13 41.712 0.3 A 93 LYS CG C 13 25.927 0.3 A 93 LYS N N 15 116.481 0.3 A 94 ASP H H 1 7.399 0.02 A 94 ASP HA H 1 4.942 0.02 A 94 ASP HBy H 1 2.795 0.02 A 94 ASP HBx H 1 2.464 0.02 A 94 ASP C C 13 173.021 0.3 A 94 ASP CA C 13 51.589 0.3 A 94 ASP CB C 13 41.445 0.3 A 94 ASP N N 15 114.885 0.3 A 95 PRO HA H 1 4.418 0.02 A 95 PRO HB2 H 1 1.921 0.02 A 95 PRO HB3 H 1 1.921 0.02 A 95 PRO HDy H 1 3.681 0.02 A 95 PRO HDx H 1 3.332 0.02 A 95 PRO HGy H 1 1.941 0.02 A 95 PRO HGx H 1 1.826 0.02 A 95 PRO CA C 13 63.647 0.3 A 95 PRO CB C 13 32.76 0.3 A 95 PRO CD C 13 49.942 0.3 A 95 PRO CG C 13 26.907 0.3 A 96 SER H H 1 8.052 0.02 A 96 SER HA H 1 4.219 0.02 A 96 SER HB2 H 1 3.977 0.02 A 96 SER HB3 H 1 3.977 0.02 A 96 SER C C 13 173.615 0.3 A 96 SER CA C 13 64.525 0.3 A 96 SER CB C 13 61.994 0.3 A 96 SER N N 15 118.79 0.3 A 97 PRO HA H 1 4.347 0.02 A 97 PRO HBy H 1 2.179 0.02 A 97 PRO HBx H 1 1.182 0.02 A 97 PRO HD2 H 1 3.733 0.02 A 97 PRO HD3 H 1 3.733 0.02 A 97 PRO HGy H 1 1.955 0.02 A 97 PRO HGx H 1 1.778 0.02 A 97 PRO CA C 13 66.016 0.3 A 97 PRO CB C 13 31.612 0.3 A 97 PRO CD C 13 50.924 0.3 A 97 PRO CG C 13 28.49 0.3 A 98 LEU H H 1 7.076 0.02 A 98 LEU HA H 1 3.596 0.02 A 98 LEU HBy H 1 1.51 0.02 A 98 LEU HBx H 1 0.813 0.02 A 98 LEU HDx% H 1 0.497 0.02 A 98 LEU HDy% H 1 0.508 0.02 A 98 LEU HG H 1 1.156 0.02 A 98 LEU C C 13 178.196 0.3 A 98 LEU CA C 13 57.284 0.3 A 98 LEU CB C 13 41.409 0.3 A 98 LEU CD1 C 13 25.47 0.3 A 98 LEU CD2 C 13 24.056 0.3 A 98 LEU CG C 13 27.314 0.3 A 98 LEU N N 15 117.938 0.3 A 99 TYR H H 1 7.547 0.02 A 99 TYR HA H 1 4.15 0.02 A 99 TYR HBy H 1 3.069 0.02 A 99 TYR HBx H 1 2.849 0.02 A 99 TYR HD1 H 1 6.942 0.02 A 99 TYR HD2 H 1 6.942 0.02 A 99 TYR HE1 H 1 6.721 0.02 A 99 TYR HE2 H 1 6.721 0.02 A 99 TYR C C 13 178.767 0.3 A 99 TYR CA C 13 61.223 0.3 A 99 TYR CB C 13 37.038 0.3 A 99 TYR CD1 C 13 131.769 0.3 A 99 TYR CD2 C 13 131.769 0.3 A 99 TYR CE1 C 13 118.2 0.3 A 99 TYR CE2 C 13 118.2 0.3 A 99 TYR N N 15 117.957 0.3 A 100 ASP H H 1 8.292 0.02 A 100 ASP HA H 1 4.326 0.02 A 100 ASP HBy H 1 2.597 0.02 A 100 ASP HBx H 1 2.519 0.02 A 100 ASP C C 13 177.737 0.3 A 100 ASP CA C 13 57.875 0.3 A 100 ASP CB C 13 41.141 0.3 A 100 ASP N N 15 119.536 0.3 A 101 MET H H 1 7.226 0.02 A 101 MET HA H 1 3.964 0.02 A 101 MET HB2 H 1 2.09 0.02 A 101 MET HB3 H 1 2.09 0.02 A 101 MET HE% H 1 1.654 0.02 A 101 MET HG2 H 1 2.248 0.02 A 101 MET HG3 H 1 2.248 0.02 A 101 MET C C 13 180.006 0.3 A 101 MET CA C 13 59.71 0.3 A 101 MET CB C 13 31.642 0.3 A 101 MET CE C 13 17.353 0.3 A 101 MET CG C 13 31.287 0.3 A 101 MET N N 15 118.757 0.3 A 102 LEU H H 1 8.472 0.02 A 102 LEU HA H 1 3.696 0.02 A 102 LEU HBy H 1 1.895 0.02 A 102 LEU HBx H 1 1.351 0.02 A 102 LEU HDx% H 1 0.629 0.02 A 102 LEU HDy% H 1 0.631 0.02 A 102 LEU HG H 1 1.702 0.02 A 102 LEU C C 13 178.566 0.3 A 102 LEU CA C 13 58.927 0.3 A 102 LEU CB C 13 41.485 0.3 A 102 LEU CD1 C 13 24.753 0.3 A 102 LEU CD2 C 13 23.684 0.3 A 102 LEU CG C 13 26.808 0.3 A 102 LEU N N 15 121.624 0.3 A 103 ARG H H 1 7.932 0.02 A 103 ARG HA H 1 3.97 0.02 A 103 ARG HB2 H 1 1.892 0.02 A 103 ARG HB3 H 1 1.892 0.02 A 103 ARG HD2 H 1 3.148 0.02 A 103 ARG HD3 H 1 3.148 0.02 A 103 ARG HE H 1 7.208 0.02 A 103 ARG HGy H 1 1.728 0.02 A 103 ARG HGx H 1 1.567 0.02 A 103 ARG C C 13 178.818 0.3 A 103 ARG CA C 13 59.503 0.3 A 103 ARG CB C 13 30.295 0.3 A 103 ARG CD C 13 43.719 0.3 A 103 ARG CG C 13 28.272 0.3 A 103 ARG N N 15 117.111 0.3 A 104 LYS H H 1 7.157 0.02 A 104 LYS HA H 1 4.222 0.02 A 104 LYS HBy H 1 1.874 0.02 A 104 LYS HBx H 1 1.719 0.02 A 104 LYS HD2 H 1 1.733 0.02 A 104 LYS HD3 H 1 1.733 0.02 A 104 LYS HEy H 1 2.865 0.02 A 104 LYS HEx H 1 2.771 0.02 A 104 LYS HGy H 1 1.523 0.02 A 104 LYS HGx H 1 1.389 0.02 A 104 LYS C C 13 177.556 0.3 A 104 LYS CA C 13 57.96 0.3 A 104 LYS CB C 13 34.227 0.3 A 104 LYS CD C 13 30.033 0.3 A 104 LYS CE C 13 42.565 0.3 A 104 LYS CG C 13 25.817 0.3 A 104 LYS N N 15 114.172 0.3 A 105 ASN H H 1 7.665 0.02 A 105 ASN HA H 1 4.731 0.02 A 105 ASN HBy H 1 2.737 0.02 A 105 ASN HBx H 1 2.381 0.02 A 105 ASN HD21 H 1 7.523 0.02 A 105 ASN HD22 H 1 6.846 0.02 A 105 ASN C C 13 172.822 0.3 A 105 ASN CA C 13 54.843 0.3 A 105 ASN CB C 13 42.645 0.3 A 105 ASN N N 15 114.145 0.3 A 105 ASN ND2 N 15 112.177 0.3 A 106 LEU H H 1 7.439 0.02 A 106 LEU HA H 1 4.671 0.02 A 106 LEU HBy H 1 1.905 0.02 A 106 LEU HBx H 1 0.958 0.02 A 106 LEU HDx% H 1 0.805 0.02 A 106 LEU HDy% H 1 0.68 0.02 A 106 LEU HG H 1 1.844 0.02 A 106 LEU C C 13 175.658 0.3 A 106 LEU CA C 13 54.158 0.3 A 106 LEU CB C 13 43.565 0.3 A 106 LEU CD1 C 13 26.457 0.3 A 106 LEU CD2 C 13 23.743 0.3 A 106 LEU CG C 13 25.767 0.3 A 106 LEU N N 15 118.6 0.3 A 107 VAL H H 1 8.182 0.02 A 107 VAL HA H 1 4.208 0.02 A 107 VAL HB H 1 2.127 0.02 A 107 VAL HGx% H 1 0.895 0.02 A 107 VAL HGy% H 1 0.869 0.02 A 107 VAL C C 13 176.054 0.3 A 107 VAL CA C 13 62.216 0.3 A 107 VAL CB C 13 33.58 0.3 A 107 VAL CG1 C 13 21.476 0.3 A 107 VAL CG2 C 13 21.247 0.3 A 107 VAL N N 15 122.739 0.3 A 108 THR H H 1 8.524 0.02 A 108 THR HA H 1 4.336 0.02 A 108 THR HB H 1 4.113 0.02 A 108 THR HG2% H 1 1.155 0.02 A 108 THR C C 13 174.216 0.3 A 108 THR CA C 13 62.726 0.3 A 108 THR CB C 13 70.08 0.3 A 108 THR CG2 C 13 22.015 0.3 A 108 THR N N 15 120.854 0.3 A 109 LEU H H 1 8.313 0.02 A 109 LEU HA H 1 4.352 0.02 A 109 LEU HB2 H 1 1.541 0.02 A 109 LEU HB3 H 1 1.541 0.02 A 109 LEU HDx% H 1 0.801 0.02 A 109 LEU HDy% H 1 0.775 0.02 A 109 LEU HG H 1 1.577 0.02 A 109 LEU C C 13 176.523 0.3 A 109 LEU CA C 13 55.047 0.3 A 109 LEU CB C 13 42.59 0.3 A 109 LEU CD1 C 13 25.617 0.3 A 109 LEU CD2 C 13 23.803 0.3 A 109 LEU CG C 13 26.957 0.3 A 109 LEU N N 15 125.529 0.3 A 110 ALA H H 1 8.257 0.02 A 110 ALA HA H 1 4.366 0.02 A 110 ALA HB% H 1 1.324 0.02 A 110 ALA C C 13 176.847 0.3 A 110 ALA CA C 13 52.628 0.3 A 110 ALA CB C 13 19.706 0.3 A 110 ALA N N 15 125.099 0.3 A 111 THR H H 1 7.684 0.02 A 111 THR HA H 1 4.057 0.02 A 111 THR HB H 1 4.165 0.02 A 111 THR HG2% H 1 1.077 0.02 A 111 THR C C 13 179.289 0.3 A 111 THR CA C 13 63.226 0.3 A 111 THR CB C 13 71.025 0.3 A 111 THR CG2 C 13 22.288 0.3 A 111 THR N N 15 118.258 0.3 B 200 CM7 H1 H 1 7.77 0.02 B 200 CM7 H7 H 1 5.739 0.02 B 200 CM7 H8 H 1 5.644 0.02 B 200 CM7 H9 H 1 4.789 0.02 B 200 CM7 HD1 H 1 6.961 0.02 B 200 CM7 HD4 H 1 7.192 0.02 B 200 CM7 HD5 H 1 6.718 0.02 B 200 CM7 HE1 H 1 7.169 0.02 B 200 CM7 HE5 H 1 6.938 0.02 B 200 CM7 HE6 H 1 7.377 0.02 B 200 CM7 HH2 H 1 2.858 0.02 B 200 CM7 HH3 H 1 3.07 0.02 B 200 CM7 HH4 H 1 3.576 0.02 B 200 CM7 HHM H 1 1.172 0.02 B 200 CM7 HZ2 H 1 7.745 0.02 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 66 TYR HA A 75 TYR H 1.0 . 3.82 2 2 A 109 LEU H A 109 LEU HB2 1.0 . 2.95 3 2 A 109 LEU H A 109 LEU HB3 1.0 . 2.95 4 3 A 109 LEU H A 109 LEU HDx% 1.0 . 4.67 5 4 A 108 THR HG2% A 110 ALA H 1.0 . 4.83 6 5 A 36 ILE HA A 39 ALA H 1.0 . 3.98 7 6 A 39 ALA H A 36 ILE HG2% 1.0 . 5.50 8 7 A 68 GLN H A 68 GLN HBx 1.0 . 3.52 9 8 A 68 GLN H A 67 ASP HBy 1.0 . 4.75 10 9 A 74 VAL H A 92 VAL H 1.0 . 4.80 11 10 A 74 VAL H A 90 PHE HE% 1.0 . 5.50 12 11 A 74 VAL H A 91 SER HA 1.0 . 4.00 13 12 A 74 VAL H A 74 VAL HB 1.0 . 3.36 14 13 A 74 VAL H A 73 MET HB2 1.0 . 4.94 15 13 A 74 VAL H A 73 MET HB3 1.0 . 4.94 16 14 A 106 LEU H A 107 VAL H 1.0 . 4.60 17 15 A 66 TYR HD% A 67 ASP H 1.0 . 4.26 18 16 A 49 VAL H A 51 GLU H 1.0 . 4.79 19 17 A 49 VAL H A 48 THR HB 1.0 . 3.14 20 18 A 49 VAL H A 50 LYS HA 1.0 . 5.38 21 19 A 31 LEU H A 32 PRO HDy 1.0 . 4.30 22 20 A 106 LEU H A 102 LEU H 1.0 . 5.42 23 21 A 23 GLN H1 A 23 GLN HG2 1.0 . 4.25 24 21 A 23 GLN H1 A 23 GLN HG3 1.0 . 4.25 25 22 A 81 LEU H A 83 GLU H 1.0 . 4.84 26 23 A 83 GLU H A 84 LEU H 1.0 . 3.01 27 24 A 28 ARG H A 28 ARG HBy 1.0 . 3.64 28 25 A 31 LEU H A 32 PRO HDx 1.0 . 4.30 29 26 A 102 LEU H A 102 LEU HBx 1.0 . 3.86 30 27 A 30 LYS H A 33 LEU H 1.0 . 4.63 31 28 A 53 MET HA A 56 LEU H 1.0 . 3.89 32 29 A 59 TYR H A 59 TYR HBx 1.0 . 3.27 33 30 A 59 TYR H A 59 TYR HD% 1.0 . 4.17 34 31 A 56 LEU H A 55 TYR HBx 1.0 . 4.93 35 32 A 56 LEU H A 57 GLY H 1.0 . 3.52 36 33 A 56 LEU H A 55 TYR HD% 1.0 . 4.98 37 34 A 56 LEU H A 55 TYR HBy 1.0 . 4.93 38 35 A 92 VAL H A 92 VAL HGx% 1.0 . 4.04 39 36 A 108 THR HG2% A 108 THR H 1.0 . 4.44 40 37 A 92 VAL H A 92 VAL HGy% 1.0 . 4.04 41 38 A 92 VAL H A 72 HIS HA 1.0 . 4.99 42 39 A 36 ILE H A 38 HIS H 1.0 . 4.67 43 40 A 36 ILE H A 36 ILE HB 1.0 . 2.82 44 41 A 36 ILE H A 36 ILE HG1x 1.0 . 3.61 45 42 A 36 ILE HG2% A 36 ILE H 1.0 . 4.13 46 43 A 51 GLU H A 48 THR HA 1.0 . 5.17 47 44 A 51 GLU H A 52 VAL HGx% 1.0 . 4.72 48 45 A 100 ASP H A 100 ASP HBy 1.0 . 3.06 49 46 A 51 GLU H A 48 THR H 1.0 . 3.92 50 47 A 51 GLU H A 48 THR HG2% 1.0 . 5.26 51 48 A 79 ASP H A 79 ASP HBy 1.0 . 3.35 52 49 A 91 SER HA A 73 MET H 1.0 . 5.04 53 50 A 73 MET H A 73 MET HB2 1.0 . 3.48 54 50 A 73 MET HB3 A 73 MET H 1.0 . 3.48 55 51 A 73 MET H A 71 GLN H 1.0 . 4.69 56 52 A 74 VAL H A 73 MET H 1.0 . 4.93 57 53 A 27 VAL H A 47 PHE H 1.0 . 3.64 58 54 A 47 PHE H A 47 PHE HE% 1.0 . 3.94 59 55 A 71 GLN H A 71 GLN HBx 1.0 . 3.70 60 56 A 47 PHE HA A 52 VAL H 1.0 . 5.50 61 57 A 52 VAL H A 52 VAL HGx% 1.0 . 3.22 62 58 A 96 SER H A 95 PRO HGy 1.0 . 4.56 63 59 A 96 SER H A 94 ASP HA 1.0 . 4.41 64 60 A 96 SER H A 96 SER HB2 1.0 . 3.14 65 60 A 96 SER H A 96 SER HB3 1.0 . 3.14 66 61 A 96 SER H A 95 PRO HB2 1.0 . 4.26 67 61 A 96 SER H A 95 PRO HB3 1.0 . 4.26 68 62 A 36 ILE HG2% A 81 LEU H 1.0 . 5.40 69 63 A 81 LEU H A 81 LEU HBy 1.0 . 3.53 70 64 A 27 VAL H A 26 GLN H 1.0 . 4.37 71 65 A 71 GLN H A 71 GLN HBy 1.0 . 3.70 72 66 A 96 SER H A 97 PRO HD2 1.0 . 3.19 73 66 A 96 SER H A 97 PRO HD3 1.0 . 3.19 74 67 A 106 LEU H A 105 ASN H 1.0 . 3.29 75 68 A 106 LEU H A 105 ASN HA 1.0 . 3.55 76 69 A 106 LEU H A 107 VAL HA 1.0 . 5.13 77 70 A 101 MET H A 100 ASP HBy 1.0 . 3.62 78 71 A 101 MET H A 101 MET HB2 1.0 . 3.18 79 71 A 101 MET H A 101 MET HB3 1.0 . 3.18 80 72 A 101 MET H A 102 LEU HG 1.0 . 4.61 81 73 A 84 LEU H A 84 LEU HDy% 1.0 . 4.12 82 74 A 40 ALA H A 38 HIS HB2 1.0 . 5.09 83 74 A 38 HIS HB3 A 40 ALA H 1.0 . 5.09 84 75 A 106 LEU H A 104 LYS H 1.0 . 4.78 85 76 A 38 HIS H A 39 ALA HA 1.0 . 5.35 86 77 A 48 THR HB A 50 LYS H 1.0 . 3.36 87 78 A 38 HIS H A 37 LEU H 1.0 . 3.50 88 79 A 38 HIS H A 35 LYS HA 1.0 . 4.02 89 80 A 38 HIS H A 39 ALA HB% 1.0 . 4.78 90 81 A 38 HIS H A 42 ALA HB% 1.0 . 4.54 91 82 A 99 TYR H A 99 TYR HBy 1.0 . 3.54 92 83 A 99 TYR H A 98 LEU HG 1.0 . 5.02 93 84 A 99 TYR H A 95 PRO HB2 1.0 . 5.12 94 84 A 95 PRO HB3 A 99 TYR H 1.0 . 5.12 95 85 A 100 ASP H A 98 LEU H 1.0 . 4.56 96 86 A 98 LEU H A 97 PRO HD2 1.0 . 3.84 97 86 A 97 PRO HD3 A 98 LEU H 1.0 . 3.84 98 87 A 98 LEU H A 97 PRO HGx 1.0 . 4.62 99 88 A 98 LEU H A 98 LEU HBy 1.0 . 3.49 100 89 A 98 LEU H A 98 LEU HBx 1.0 . 3.49 101 90 A 43 GLN H A 47 PHE HZ 1.0 . 5.19 102 91 A 102 LEU H A 103 ARG H 1.0 . 3.59 103 92 A 104 LYS H A 103 ARG H 1.0 . 3.36 104 93 A 103 ARG H A 103 ARG HB2 1.0 . 2.72 105 93 A 103 ARG H A 103 ARG HB3 1.0 . 2.72 106 94 A 55 TYR HD% A 55 TYR H 1.0 . 3.78 107 95 A 55 TYR H A 54 HIS HD2 1.0 . 4.86 108 96 A 76 CYS H A 89 SER HA 1.0 . 3.69 109 97 A 76 CYS H A 75 TYR HD% 1.0 . 4.69 110 98 A 63 LYS H A 64 GLN H 1.0 . 3.19 111 99 A 63 LYS H A 60 ILE HA 1.0 . 4.69 112 100 A 63 LYS H A 63 LYS HBy 1.0 . 3.72 113 101 A 37 LEU H A 38 HIS HB2 1.0 . 4.47 114 101 A 38 HIS HB3 A 37 LEU H 1.0 . 4.47 115 102 A 60 ILE H A 60 ILE HB 1.0 . 2.98 116 103 A 91 SER HA A 93 LYS H 1.0 . 4.82 117 104 A 93 LYS H A 93 LYS HBy 1.0 . 3.95 118 105 A 92 VAL H A 93 LYS H 1.0 . 3.81 119 106 A 93 LYS H A 93 LYS HBx 1.0 . 3.95 120 107 A 60 ILE HA A 65 LEU H 1.0 . 4.20 121 108 A 64 GLN H A 60 ILE HA 1.0 . 4.87 122 109 A 61 MET H A 62 VAL H 1.0 . 3.65 123 110 A 61 MET H A 61 MET HBy 1.0 . 3.80 124 111 A 61 MET H A 60 ILE HG2% 1.0 . 4.50 125 112 A 64 GLN H A 61 MET HA 1.0 . 4.16 126 113 A 64 GLN H A 60 ILE HG2% 1.0 . 4.94 127 114 A 64 GLN H A 66 TYR HE% 1.0 . 4.04 128 115 A 90 PHE H A 90 PHE HD% 1.0 . 3.82 129 116 A 90 PHE H A 73 MET HE% 1.0 . 4.97 130 117 A 74 VAL HB A 90 PHE H 1.0 . 3.83 131 118 A 84 LEU HA A 85 LEU H 1.0 . 3.52 132 119 A 47 PHE H A 46 MET H 1.0 . 4.78 133 120 A 46 MET H A 44 GLY HAy 1.0 . 4.43 134 121 A 93 LYS H A 94 ASP H 1.0 . 3.14 135 122 A 92 VAL H A 94 ASP H 1.0 . 5.13 136 123 A 36 ILE H A 35 LYS H 1.0 . 3.37 137 124 A 35 LYS H A 34 LEU HDx% 1.0 . 4.81 138 125 A 105 ASN H A 104 LYS H 1.0 . 3.35 139 126 A 105 ASN H A 104 LYS HD2 1.0 . 4.21 140 126 A 105 ASN H A 104 LYS HD3 1.0 . 4.21 141 127 A 105 ASN H A 102 LEU HA 1.0 . 4.06 142 128 A 104 LYS H A 104 LYS HBy 1.0 . 3.48 143 129 A 27 VAL H A 26 GLN HA 1.0 . 2.96 144 130 A 90 PHE HD% A 91 SER H 1.0 . 4.03 145 131 A 91 SER H A 90 PHE HA 1.0 . 3.07 146 132 A 91 SER H A 90 PHE HBy 1.0 . 3.87 147 133 A 87 ARG H A 87 ARG HD2 1.0 . 5.48 148 133 A 87 ARG H A 87 ARG HD3 1.0 . 5.48 149 134 A 87 ARG H A 87 ARG HGy 1.0 . 5.01 150 135 A 87 ARG H A 85 LEU HBy 1.0 . 4.01 151 136 A 60 ILE HG2% A 66 TYR H 1.0 . 4.43 152 137 A 33 LEU H A 34 LEU H 1.0 . 3.00 153 138 A 66 TYR H A 64 GLN HA 1.0 . 3.81 154 139 A 66 TYR H A 65 LEU HBx 1.0 . 4.97 155 140 A 64 GLN H A 66 TYR H 1.0 . 5.08 156 141 A 24 ILE H A 25 ASN HD21 1.0 . 5.36 157 142 A 24 ILE H A 25 ASN HD22 1.0 . 5.36 158 143 A 75 TYR HD% A 77 GLY H 1.0 . 5.36 159 144 A 89 SER HA A 77 GLY H 1.0 . 5.50 160 145 A 67 ASP HA A 68 GLN HE22 1.0 . 4.91 161 146 A 64 GLN H A 64 GLN HE21 1.0 . 4.41 162 147 A 67 ASP HA A 68 GLN HE21 1.0 . 4.91 163 148 A 72 HIS H A 92 VAL HGy% 1.0 . 5.37 164 149 A 62 VAL HA A 64 GLN HE22 1.0 . 5.50 165 150 A 64 GLN H A 64 GLN HE22 1.0 . 4.41 166 151 A 72 HIS H A 92 VAL HGx% 1.0 . 5.37 167 152 A 72 HIS H A 93 LYS HZ% 1.0 . 4.69 168 153 A 44 GLY H A 43 GLN HBy 1.0 . 4.82 169 154 A 87 ARG H A 86 GLY H 1.0 . 3.23 170 155 A 81 LEU H A 82 GLY H 1.0 . 3.70 171 156 A 82 GLY H A 80 LEU HD1% 1.0 . 5.38 172 156 A 82 GLY H A 80 LEU HD2% 1.0 . 5.38 173 157 A 38 HIS HA A 41 GLY H 1.0 . 4.21 174 158 A 111 THR H A 111 THR HB 1.0 . 3.14 175 159 A 49 VAL HA A 49 VAL HGx% 1.0 . 3.24 176 160 A 52 VAL HA A 53 MET H 1.0 . 3.51 177 161 A 62 VAL HA A 62 VAL HB 1.0 . 2.68 178 162 A 36 ILE HA A 39 ALA HB% 1.0 . 3.02 179 163 A 36 ILE HA A 36 ILE HD1% 1.0 . 4.06 180 164 A 75 TYR H A 74 VAL HA 1.0 . 2.73 181 165 A 83 GLU HA A 83 GLU HB2 1.0 . 2.40 182 165 A 83 GLU HA A 83 GLU HB3 1.0 . 2.40 183 166 A 34 LEU HA A 34 LEU HDx% 1.0 . 4.17 184 167 A 37 LEU H A 34 LEU HA 1.0 . 3.95 185 168 A 38 HIS HA A 42 ALA H 1.0 . 2.43 186 169 A 93 LYS HA A 93 LYS HGy 1.0 . 3.83 187 170 A 98 LEU HA A 98 LEU HDx% 1.0 . 4.64 188 171 A 89 SER HA A 90 PHE H 1.0 . 2.67 189 172 A 89 SER HA A 89 SER HBy 1.0 . 2.91 190 173 A 89 SER HA A 89 SER HBx 1.0 . 2.91 191 174 A 74 VAL HB A 89 SER HA 1.0 . 4.01 192 175 A 63 LYS HA A 63 LYS HG2 1.0 . 2.95 193 175 A 63 LYS HA A 63 LYS HG3 1.0 . 2.95 194 176 A 63 LYS HA A 63 LYS HDy 1.0 . 4.18 195 177 A 109 LEU HA A 109 LEU HDy% 1.0 . 3.63 196 178 A 92 VAL H A 91 SER HA 1.0 . 2.70 197 179 A 91 SER HA A 73 MET HA 1.0 . 2.91 198 180 A 66 TYR HA A 67 ASP H 1.0 . 2.74 199 181 A 109 LEU HA A 109 LEU HB2 1.0 . 2.69 200 181 A 109 LEU HB3 A 109 LEU HA 1.0 . 2.69 201 182 A 47 PHE H A 46 MET HA 1.0 . 2.56 202 183 A 46 MET HA A 46 MET HGx 1.0 . 3.67 203 184 A 68 GLN H A 67 ASP HA 1.0 . 2.65 204 185 A 74 VAL H A 73 MET HA 1.0 . 3.06 205 186 A 28 ARG HA A 29 PRO HDy 1.0 . 3.35 206 187 A 111 THR H A 110 ALA HA 1.0 . 2.88 207 188 A 43 GLN H A 42 ALA HA 1.0 . 2.67 208 189 A 47 PHE HE% A 29 PRO HDy 1.0 . 4.18 209 190 A 94 ASP HA A 95 PRO HDy 1.0 . 3.20 210 191 A 31 LEU HBx A 32 PRO HDx 1.0 . 3.38 211 191 A 32 PRO HDx A 31 LEU HBy 1.0 . 3.38 212 192 A 82 GLY H A 79 ASP HBx 1.0 . 4.08 213 193 A 45 GLU H A 44 GLY HAy 1.0 . 3.57 214 194 A 87 ARG HD3 A 85 LEU HDy% 1.0 . 4.80 215 194 A 85 LEU HDy% A 87 ARG HD2 1.0 . 4.80 216 195 A 85 LEU H A 85 LEU HBx 1.0 . 3.80 217 196 A 103 ARG H A 103 ARG HD2 1.0 . 4.10 218 196 A 103 ARG H A 103 ARG HD3 1.0 . 4.10 219 197 A 67 ASP H A 67 ASP HBx 1.0 . 3.53 220 198 A 106 LEU H A 106 LEU HBx 1.0 . 3.93 221 199 A 35 LYS HD3 A 35 LYS HE2 1.0 . 2.80 222 199 A 35 LYS HD2 A 35 LYS HE2 1.0 . 2.80 223 199 A 35 LYS HE3 A 35 LYS HD2 1.0 . 2.80 224 199 A 35 LYS HD3 A 35 LYS HE3 1.0 . 2.80 225 200 A 63 LYS HG3 A 63 LYS HEy 1.0 . 3.56 226 200 A 63 LYS HEy A 63 LYS HG2 1.0 . 3.56 227 201 A 106 LEU H A 105 ASN HBy 1.0 . 3.67 228 202 A 105 ASN H A 105 ASN HBy 1.0 . 3.74 229 203 A 59 TYR HE% A 81 LEU HBy 1.0 . 4.20 230 204 A 84 LEU H A 84 LEU HBy 1.0 . 3.29 231 205 A 84 LEU HDx% A 84 LEU HBy 1.0 . 3.44 232 205 A 84 LEU HBy A 84 LEU HDy% 1.0 . 3.44 233 206 A 110 ALA H A 109 LEU HB2 1.0 . 3.36 234 206 A 109 LEU HB3 A 110 ALA H 1.0 . 3.36 235 207 A 59 TYR HE% A 81 LEU HBx 1.0 . 4.20 236 208 A 84 LEU H A 84 LEU HBx 1.0 . 3.29 237 209 A 84 LEU HDx% A 84 LEU HBx 1.0 . 3.44 238 209 A 84 LEU HBx A 84 LEU HDy% 1.0 . 3.44 239 210 A 34 LEU H A 33 LEU HBy 1.0 . 4.45 240 211 A 34 LEU H A 34 LEU HBy 1.0 . 3.22 241 212 A 35 LYS H A 34 LEU HBy 1.0 . 4.04 242 213 A 94 ASP H A 94 ASP HBx 1.0 . 3.99 243 214 A 100 ASP HA A 100 ASP HBy 1.0 . 2.95 244 215 A 100 ASP H A 100 ASP HBx 1.0 . 3.06 245 216 A 101 MET H A 100 ASP HBx 1.0 . 3.62 246 217 A 100 ASP HA A 100 ASP HBx 1.0 . 2.95 247 218 A 55 TYR H A 55 TYR HBy 1.0 . 3.82 248 219 A 40 ALA HB% A 59 TYR HBx 1.0 . 3.98 249 220 A 24 ILE H A 24 ILE HB 1.0 . 3.30 250 221 A 51 GLU HA A 51 GLU HGy 1.0 . 3.89 251 222 A 51 GLU HA A 51 GLU HGx 1.0 . 3.89 252 223 A 84 LEU HA A 83 GLU HGy 1.0 . 4.11 253 224 A 84 LEU HA A 83 GLU HGx 1.0 . 4.11 254 225 A 83 GLU HA A 83 GLU HGy 1.0 . 3.93 255 226 A 45 GLU HA A 45 GLU HGx 1.0 . 3.67 256 227 A 70 GLU HA A 70 GLU HGy 1.0 . 3.78 257 228 A 70 GLU HA A 70 GLU HGx 1.0 . 3.78 258 229 A 46 MET HE% A 46 MET HB2 1.0 . 3.34 259 229 A 46 MET HB3 A 46 MET HE% 1.0 . 3.34 260 230 A 71 GLN HA A 71 GLN HGx 1.0 . 3.89 261 231 A 69 GLN HA A 69 GLN HGx 1.0 . 3.78 262 232 A 71 GLN H A 71 GLN HGy 1.0 . 3.83 263 233 A 71 GLN HA A 71 GLN HGy 1.0 . 3.89 264 234 A 71 GLN H A 71 GLN HGx 1.0 . 3.83 265 235 A 68 GLN HG3 A 68 GLN HBy 1.0 . 2.98 266 235 A 68 GLN HBy A 68 GLN HG2 1.0 . 2.98 267 236 A 69 GLN HA A 69 GLN HGy 1.0 . 3.78 268 237 A 43 GLN HA A 43 GLN HGy 1.0 . 3.68 269 238 A 43 GLN HA A 43 GLN HGx 1.0 . 3.68 270 239 A 104 LYS H A 104 LYS HBx 1.0 . 3.48 271 240 A 59 TYR H A 58 GLN HG2 1.0 . 3.75 272 240 A 59 TYR H A 58 GLN HG3 1.0 . 3.75 273 241 A 58 GLN H A 58 GLN HG2 1.0 . 3.32 274 241 A 58 GLN HG3 A 58 GLN H 1.0 . 3.32 275 242 A 30 LYS H A 30 LYS HBy 1.0 . 3.55 276 243 A 28 ARG H A 28 ARG HBx 1.0 . 3.64 277 244 A 53 MET H A 53 MET HBy 1.0 . 3.89 278 245 A 46 MET HA A 46 MET HGy 1.0 . 3.67 279 246 A 62 VAL H A 62 VAL HB 1.0 . 2.87 280 247 A 61 MET H A 61 MET HBx 1.0 . 3.80 281 248 A 49 VAL H A 49 VAL HB 1.0 . 3.02 282 249 A 38 HIS H A 38 HIS HB2 1.0 . 3.12 283 249 A 38 HIS H A 38 HIS HB3 1.0 . 3.12 284 250 A 39 ALA H A 38 HIS HB2 1.0 . 3.56 285 250 A 39 ALA H A 38 HIS HB3 1.0 . 3.56 286 251 A 35 LYS HA A 38 HIS HB2 1.0 . 3.54 287 251 A 38 HIS HB3 A 35 LYS HA 1.0 . 3.54 288 252 A 92 VAL HA A 92 VAL HB 1.0 . 2.97 289 253 A 54 HIS H A 54 HIS HBy 1.0 . 3.67 290 254 A 54 HIS H A 54 HIS HBx 1.0 . 3.67 291 255 A 92 VAL H A 92 VAL HB 1.0 . 3.43 292 256 A 103 ARG HB3 A 103 ARG HD2 1.0 . 3.37 293 256 A 103 ARG HB2 A 103 ARG HD2 1.0 . 3.37 294 256 A 103 ARG HD3 A 103 ARG HB2 1.0 . 3.37 295 256 A 103 ARG HB3 A 103 ARG HD3 1.0 . 3.37 296 257 A 69 GLN H A 69 GLN HBy 1.0 . 3.55 297 258 A 69 GLN H A 69 GLN HBx 1.0 . 3.55 298 259 A 104 LYS HA A 104 LYS HD2 1.0 . 3.81 299 259 A 104 LYS HD3 A 104 LYS HA 1.0 . 3.81 300 260 A 84 LEU H A 83 GLU HB2 1.0 . 3.27 301 260 A 84 LEU H A 83 GLU HB3 1.0 . 3.27 302 261 A 68 GLN H A 68 GLN HBy 1.0 . 3.52 303 262 A 35 LYS HD2 A 35 LYS HG2 1.0 . 2.51 304 262 A 35 LYS HD3 A 35 LYS HG2 1.0 . 2.51 305 262 A 35 LYS HG3 A 35 LYS HD2 1.0 . 2.51 306 262 A 35 LYS HD3 A 35 LYS HG3 1.0 . 2.51 307 263 A 58 GLN H A 58 GLN HB2 1.0 . 3.59 308 263 A 58 GLN H A 58 GLN HB3 1.0 . 3.59 309 264 A 98 LEU H A 97 PRO HGy 1.0 . 4.62 310 265 A 56 LEU H A 56 LEU HG 1.0 . 3.62 311 266 A 80 LEU HA A 80 LEU HG 1.0 . 3.77 312 267 A 85 LEU H A 85 LEU HG 1.0 . 3.92 313 268 A 85 LEU H A 84 LEU HG 1.0 . 4.22 314 269 A 37 LEU H A 37 LEU HDy% 1.0 . 3.63 315 270 A 56 LEU H A 56 LEU HDx% 1.0 . 4.26 316 271 A 106 LEU H A 106 LEU HG 1.0 . 4.18 317 272 A 35 LYS HA A 35 LYS HG2 1.0 . 3.84 318 272 A 35 LYS HA A 35 LYS HG3 1.0 . 3.84 319 273 A 93 LYS HA A 93 LYS HGx 1.0 . 3.83 320 274 A 63 LYS HG3 A 63 LYS HEx 1.0 . 3.56 321 274 A 63 LYS HEx A 63 LYS HG2 1.0 . 3.56 322 275 A 34 LEU HA A 34 LEU HDy% 1.0 . 4.17 323 276 A 99 TYR HD% A 98 LEU HDx% 1.0 . 5.09 324 277 A 63 LYS H A 63 LYS HG2 1.0 . 3.53 325 277 A 63 LYS H A 63 LYS HG3 1.0 . 3.53 326 278 A 84 LEU H A 84 LEU HDy% 1.0 . 4.16 327 278 A 84 LEU H A 84 LEU HDx% 1.0 . 4.16 328 279 A 85 LEU HG A 84 LEU HDy% 1.0 . 3.25 329 279 A 84 LEU HDx% A 85 LEU HG 1.0 . 3.25 330 280 A 84 LEU HA A 84 LEU HDy% 1.0 . 3.97 331 280 A 84 LEU HA A 84 LEU HDx% 1.0 . 3.97 332 281 A 56 LEU H A 56 LEU HDy% 1.0 . 4.26 333 282 A 37 LEU H A 37 LEU HDx% 1.0 . 3.63 334 283 A 37 LEU HA A 37 LEU HDx% 1.0 . 4.59 335 284 A 48 THR HA A 48 THR HG2% 1.0 . 3.28 336 285 A 48 THR H A 48 THR HG2% 1.0 . 2.99 337 286 A 63 LYS H A 62 VAL HGx% 1.0 . 3.68 338 287 A 108 THR HG2% A 108 THR HA 1.0 . 3.36 339 288 A 107 VAL H A 107 VAL HGx% 1.0 . 4.11 340 289 A 90 PHE HE% A 74 VAL HGx% 1.0 . 3.49 341 290 A 74 VAL HA A 74 VAL HGx% 1.0 . 3.45 342 291 A 74 VAL HA A 74 VAL HGy% 1.0 . 3.45 343 292 A 40 ALA HB% A 59 TYR HBy 1.0 . 3.98 344 293 A 40 ALA H A 40 ALA HB% 1.0 . 2.82 345 294 A 59 TYR H A 40 ALA HB% 1.0 . 3.32 346 295 A 41 GLY H A 40 ALA HB% 1.0 . 3.08 347 296 A 108 THR HG2% A 110 ALA HB% 1.0 . 3.05 348 297 A 65 LEU H A 60 ILE HG2% 1.0 . 4.36 349 298 A 60 ILE H A 60 ILE HG2% 1.0 . 4.02 350 299 A 60 ILE HG2% A 65 LEU HA 1.0 . 3.93 351 300 A 66 TYR HD% A 60 ILE HG2% 1.0 . 3.48 352 301 A 60 ILE HG2% A 64 GLN HA 1.0 . 4.20 353 302 A 39 ALA HB% A 38 HIS HB2 1.0 . 4.46 354 302 A 38 HIS HB3 A 39 ALA HB% 1.0 . 4.46 355 303 A 24 ILE HA A 24 ILE HG2% 1.0 . 3.01 356 304 A 53 MET HE% A 99 TYR HE% 1.0 . 3.86 357 305 A 61 MET HA A 61 MET HE% 1.0 . 3.00 358 306 A 74 VAL H A 73 MET HE% 1.0 . 3.60 359 307 A 60 ILE H A 60 ILE HD1% 1.0 . 3.70 360 308 A 36 ILE HG2% A 37 LEU H 1.0 . 3.33 361 309 A 36 ILE HA A 36 ILE HG2% 1.0 . 3.14 362 310 A 36 ILE HG2% A 36 ILE HD1% 1.0 . 3.58 363 311 A 60 ILE HG2% A 66 TYR HE% 1.0 . 3.51 364 311 A 66 TYR HD% A 60 ILE HG2% 1.0 . 3.51 365 312 A 66 TYR HE% A 64 GLN HA 1.0 . 4.16 366 312 A 66 TYR HD% A 64 GLN HA 1.0 . 4.16 367 313 A 66 TYR HE% A 61 MET HE% 1.0 . 4.59 368 313 A 66 TYR HD% A 61 MET HE% 1.0 . 4.59 369 314 A 61 MET HA A 66 TYR HE% 1.0 . 3.43 370 314 A 66 TYR HD% A 61 MET HA 1.0 . 3.43 371 315 A 64 GLN H A 66 TYR HE% 1.0 . 4.18 372 315 A 66 TYR HD% A 64 GLN H 1.0 . 4.18 373 316 A 55 TYR HD% A 42 ALA HB% 1.0 . 4.00 374 317 A 55 TYR HD% A 54 HIS H 1.0 . 4.69 375 318 A 59 TYR HD% A 59 TYR HA 1.0 . 3.96 376 319 A 59 TYR HD% A 63 LYS HG2 1.0 . 3.73 377 319 A 59 TYR HD% A 63 LYS HG3 1.0 . 3.73 378 320 A 90 PHE HD% A 85 LEU HBx 1.0 . 5.05 379 321 A 99 TYR HD% A 53 MET HE% 1.0 . 4.40 380 322 A 99 TYR H A 99 TYR HD% 1.0 . 4.00 381 323 A 98 LEU HG A 99 TYR HD% 1.0 . 4.45 382 324 A 90 PHE HE% A 89 SER HA 1.0 . 4.41 383 325 A 90 PHE HE% A 90 PHE H 1.0 . 5.16 384 326 A 90 PHE HE% A 74 VAL HGy% 1.0 . 3.49 385 327 A 42 ALA HB% A 47 PHE HZ 1.0 . 3.79 386 328 A 90 PHE HZ A 60 ILE HG1y 1.0 . 4.62 387 329 A 72 HIS HD2 A 92 VAL HGx% 1.0 . 4.83 388 330 A 99 TYR HE% A 95 PRO HB2 1.0 . 3.42 389 330 A 95 PRO HB3 A 99 TYR HE% 1.0 . 3.42 390 331 A 60 ILE HA A 59 TYR HE% 1.0 . 4.47 391 332 A 59 TYR HE% A 63 LYS HG2 1.0 . 3.48 392 332 A 63 LYS HG3 A 59 TYR HE% 1.0 . 3.48 393 333 A 59 TYR HE% A 65 LEU HG 1.0 . 3.94 394 334 A 42 ALA HB% A 38 HIS HD2 1.0 . 3.50 395 335 A 38 HIS H A 38 HIS HD2 1.0 . 4.10 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 90 PHE HD% A 97 PRO HD2 1.0 . 4.90 2 1 A 97 PRO HD3 A 90 PHE HD% 1.0 . 4.90 3 2 A 90 PHE HA A 97 PRO HD2 1.0 . 4.68 4 2 A 97 PRO HD3 A 90 PHE HA 1.0 . 4.68 5 3 A 96 SER HB3 A 97 PRO HD2 1.0 . 3.59 6 3 A 96 SER HB2 A 97 PRO HD2 1.0 . 3.59 7 3 A 97 PRO HD3 A 96 SER HB2 1.0 . 3.59 8 3 A 96 SER HB3 A 97 PRO HD3 1.0 . 3.59 9 4 A 90 PHE HD% A 85 LEU HDy% 1.0 . 3.97 10 5 A 43 GLN H A 47 PHE HD% 1.0 . 4.82 11 6 A 59 TYR HD% A 40 ALA HB% 1.0 . 3.55 12 7 A 89 SER HA A 75 TYR HD% 1.0 . 4.26 13 8 A 59 TYR HD% A 60 ILE HA 1.0 . 4.31 14 9 A 89 SER HA A 90 PHE HD% 1.0 . 4.39 15 10 A 74 VAL HB A 90 PHE HD% 1.0 . 3.96 16 11 A 99 TYR HD% A 95 PRO HA 1.0 . 5.11 17 12 A 96 SER H A 99 TYR HD% 1.0 . 4.61 18 13 A 47 PHE HE% A 37 LEU HBy 1.0 . 5.50 19 14 A 47 PHE HE% A 37 LEU HBx 1.0 . 5.50 20 15 A 90 PHE HE% A 74 VAL HB 1.0 . 3.69 21 16 A 90 PHE HE% A 82 GLY HAy 1.0 . 4.90 22 16 A 90 PHE HE% A 82 GLY HAx 1.0 . 4.90 23 17 A 47 PHE HZ A 45 GLU HA 1.0 . 4.77 24 18 A 90 PHE HZ A 60 ILE HG1x 1.0 . 4.62 25 19 A 72 HIS HD2 A 92 VAL HGy% 1.0 . 4.83 26 20 A 42 ALA HB% A 55 TYR HE% 1.0 . 3.96 27 21 A 55 TYR HE% A 55 TYR HA 1.0 . 4.99 28 22 A 66 TYR HE% A 68 GLN HA 1.0 . 4.13 29 23 A 60 ILE HG2% A 66 TYR HE% 1.0 . 3.77 30 24 A 36 ILE HA A 59 TYR HE% 1.0 . 4.12 31 25 A 72 HIS HD2 A 93 LYS HE2 1.0 . 5.35 32 25 A 72 HIS HD2 A 93 LYS HE3 1.0 . 5.35 33 26 A 39 ALA HB% A 59 TYR HE% 1.0 . 3.44 34 27 A 36 ILE HG2% A 59 TYR HE% 1.0 . 4.88 35 28 A 39 ALA H A 59 TYR HE% 1.0 . 5.04 36 29 A 82 GLY H A 59 TYR HE% 1.0 . 5.43 37 30 A 90 PHE HZ A 74 VAL HGy% 1.0 . 4.84 38 31 A 90 PHE HZ A 74 VAL HGx% 1.0 . 4.84 39 32 A 60 ILE HG2% A 90 PHE HZ 1.0 . 4.49 40 33 A 60 ILE HD1% A 90 PHE HZ 1.0 . 4.68 41 34 A 99 TYR HE% A 95 PRO HA 1.0 . 5.19 42 35 A 61 MET HA A 66 TYR HE% 1.0 . 3.24 43 36 A 42 ALA HA A 55 TYR HE% 1.0 . 4.01 44 37 A 75 TYR HE% A 67 ASP HBy 1.0 . 4.58 45 38 A 70 GLU H A 67 ASP HBy 1.0 . 3.99 46 39 A 75 TYR HE% A 67 ASP HBx 1.0 . 4.58 47 40 A 73 MET HE% A 75 TYR HE% 1.0 . 4.30 48 41 A 67 ASP H A 75 TYR HD% 1.0 . 5.09 49 42 A 55 TYR HD% A 52 VAL H 1.0 . 5.50 50 43 A 71 GLN H A 70 GLU HB2 1.0 . 4.24 51 43 A 71 GLN H A 70 GLU HB3 1.0 . 4.24 52 44 A 66 TYR HD% A 71 GLN H 1.0 . 5.30 53 45 A 75 TYR HD% A 89 SER HBy 1.0 . 4.60 54 46 A 99 TYR HD% A 96 SER HA 1.0 . 3.95 55 47 A 66 TYR HD% A 71 GLN HA 1.0 . 3.97 56 48 A 66 TYR HD% A 71 GLN HGy 1.0 . 4.65 57 49 A 66 TYR HD% A 71 GLN HGx 1.0 . 4.65 58 50 A 59 TYR HD% A 81 LEU HDx% 1.0 . 4.88 59 51 A 59 TYR HD% A 81 LEU HDy% 1.0 . 4.88 60 52 A 59 TYR HD% A 39 ALA HB% 1.0 . 3.78 61 53 A 59 TYR HD% A 60 ILE HD1% 1.0 . 5.50 62 54 A 36 ILE HG2% A 59 TYR HD% 1.0 . 3.73 63 55 A 75 TYR HD% A 73 MET HE% 1.0 . 5.03 64 56 A 111 THR HB A 110 ALA HA 1.0 . 4.26 65 57 A 111 THR HB A 111 THR HA 1.0 . 2.98 66 58 A 108 THR H A 108 THR HB 1.0 . 3.59 67 59 A 109 LEU H A 108 THR HB 1.0 . 3.55 68 60 A 49 VAL HA A 108 THR HB 1.0 . 5.24 69 61 A 106 LEU HG A 108 THR HB 1.0 . 4.43 70 62 A 51 GLU H A 49 VAL HA 1.0 . 4.94 71 63 A 52 VAL H A 49 VAL HA 1.0 . 3.89 72 64 A 52 VAL HA A 37 LEU HG 1.0 . 4.85 73 65 A 55 TYR HD% A 52 VAL HA 1.0 . 4.31 74 66 A 55 TYR H A 52 VAL HA 1.0 . 4.65 75 67 A 35 LYS H A 32 PRO HA 1.0 . 3.91 76 68 A 32 PRO HA A 80 LEU HD1% 1.0 . 3.91 77 68 A 80 LEU HD2% A 32 PRO HA 1.0 . 3.91 78 69 A 36 ILE HD1% A 32 PRO HA 1.0 . 5.13 79 70 A 90 PHE H A 89 SER HBy 1.0 . 4.00 80 71 A 75 TYR HD% A 89 SER HBx 1.0 . 4.60 81 72 A 90 PHE H A 89 SER HBx 1.0 . 4.00 82 73 A 100 ASP H A 97 PRO HA 1.0 . 4.37 83 74 A 32 PRO HA A 35 LYS HE2 1.0 . 4.81 84 74 A 35 LYS HE3 A 32 PRO HA 1.0 . 4.81 85 75 A 64 GLN H A 62 VAL HA 1.0 . 4.11 86 76 A 62 VAL HA A 62 VAL HGx% 1.0 . 3.30 87 77 A 101 MET H A 97 PRO HA 1.0 . 5.12 88 78 A 60 ILE HA A 60 ILE HG1y 1.0 . 3.72 89 79 A 60 ILE HA A 60 ILE HG1x 1.0 . 3.72 90 80 A 60 ILE HA A 60 ILE HG2% 1.0 . 3.13 91 81 A 91 SER H A 91 SER HBy 1.0 . 3.84 92 82 A 100 ASP H A 96 SER HA 1.0 . 4.86 93 83 A 94 ASP H A 92 VAL HA 1.0 . 4.53 94 84 A 58 GLN H A 55 TYR HA 1.0 . 4.05 95 85 A 55 TYR HD% A 55 TYR HA 1.0 . 3.26 96 86 A 55 TYR HA A 58 GLN HE22 1.0 . 4.78 97 87 A 94 ASP HA A 95 PRO HA 1.0 . 4.75 98 88 A 110 ALA HB% A 111 THR HA 1.0 . 4.59 99 89 A 40 ALA HB% A 55 TYR HA 1.0 . 4.98 100 90 A 109 LEU H A 108 THR HA 1.0 . 2.86 101 91 A 108 THR HA A 108 THR HB 1.0 . 2.40 102 92 A 108 THR HA A 27 VAL HB 1.0 . 4.07 103 93 A 108 THR HA A 109 LEU HB2 1.0 . 5.02 104 93 A 109 LEU HB3 A 108 THR HA 1.0 . 5.02 105 94 A 62 VAL H A 59 TYR HA 1.0 . 4.25 106 95 A 29 PRO HA A 30 LYS HA 1.0 . 4.88 107 96 A 107 VAL HA A 107 VAL HGy% 1.0 . 3.21 108 97 A 108 THR H A 107 VAL HA 1.0 . 3.20 109 98 A 107 VAL HA A 106 LEU HA 1.0 . 4.43 110 99 A 108 THR HG2% A 107 VAL HA 1.0 . 5.15 111 100 A 59 TYR HA A 58 GLN HG2 1.0 . 3.21 112 100 A 58 GLN HG3 A 59 TYR HA 1.0 . 3.21 113 101 A 30 LYS H A 29 PRO HA 1.0 . 3.15 114 102 A 29 PRO HA A 106 LEU HDx% 1.0 . 4.52 115 103 A 96 SER HA A 96 SER HB2 1.0 . 2.40 116 103 A 96 SER HB3 A 96 SER HA 1.0 . 2.40 117 104 A 66 TYR H A 74 VAL HA 1.0 . 4.73 118 105 A 49 VAL H A 48 THR HA 1.0 . 2.99 119 106 A 48 THR HA A 27 VAL H 1.0 . 4.46 120 107 A 101 MET H A 99 TYR HA 1.0 . 4.48 121 108 A 99 TYR HD% A 99 TYR HA 1.0 . 3.75 122 109 A 24 ILE HA A 25 ASN H 1.0 . 3.56 123 110 A 24 ILE HA A 24 ILE HG1x 1.0 . 3.95 124 111 A 66 TYR HA A 74 VAL HA 1.0 . 2.84 125 112 A 34 LEU H A 31 LEU HA 1.0 . 3.94 126 113 A 31 LEU HA A 31 LEU HBy 1.0 . 2.88 127 113 A 31 LEU HBx A 31 LEU HA 1.0 . 2.88 128 114 A 102 LEU H A 103 ARG HA 1.0 . 4.92 129 115 A 35 LYS HA A 35 LYS HD2 1.0 . 3.74 130 115 A 35 LYS HA A 35 LYS HD3 1.0 . 3.74 131 116 A 51 GLU HA A 54 HIS H 1.0 . 4.57 132 117 A 51 GLU HA A 54 HIS HBy 1.0 . 3.62 133 118 A 51 GLU HA A 54 HIS HBx 1.0 . 3.62 134 119 A 103 ARG HA A 103 ARG HB2 1.0 . 2.66 135 119 A 103 ARG HB3 A 103 ARG HA 1.0 . 2.66 136 120 A 28 ARG H A 27 VAL HA 1.0 . 3.05 137 121 A 83 GLU HA A 80 LEU HD1% 1.0 . 5.32 138 121 A 80 LEU HD2% A 83 GLU HA 1.0 . 5.32 139 122 A 101 MET HA A 101 MET HG2 1.0 . 3.82 140 122 A 101 MET HA A 101 MET HG3 1.0 . 3.82 141 123 A 58 GLN HA A 58 GLN HG2 1.0 . 3.53 142 123 A 58 GLN HG3 A 58 GLN HA 1.0 . 3.53 143 124 A 58 GLN HA A 61 MET HBx 1.0 . 4.24 144 124 A 58 GLN HA A 61 MET HBy 1.0 . 4.24 145 125 A 102 LEU HG A 102 LEU HA 1.0 . 3.97 146 126 A 103 ARG H A 100 ASP HA 1.0 . 4.55 147 127 A 84 LEU H A 80 LEU HA 1.0 . 4.43 148 128 A 83 GLU H A 80 LEU HA 1.0 . 3.80 149 129 A 80 LEU HA A 83 GLU HB2 1.0 . 3.29 150 129 A 83 GLU HB3 A 80 LEU HA 1.0 . 3.29 151 130 A 81 LEU HA A 81 LEU HG 1.0 . 3.68 152 131 A 36 ILE HD1% A 81 LEU HA 1.0 . 3.66 153 132 A 84 LEU H A 81 LEU HA 1.0 . 3.84 154 133 A 36 ILE HG2% A 37 LEU HA 1.0 . 4.59 155 134 A 37 LEU HA A 37 LEU HDy% 1.0 . 4.59 156 135 A 40 ALA HB% A 37 LEU HA 1.0 . 4.10 157 136 A 37 LEU HA A 55 TYR HBy 1.0 . 4.20 158 137 A 34 LEU HA A 37 LEU HDy% 1.0 . 4.94 159 138 A 76 CYS H A 75 TYR HA 1.0 . 2.86 160 139 A 75 TYR HD% A 75 TYR HA 1.0 . 3.65 161 140 A 100 ASP HA A 103 ARG HB2 1.0 . 3.60 162 140 A 103 ARG HB3 A 100 ASP HA 1.0 . 3.60 163 141 A 37 LEU HA A 55 TYR HBx 1.0 . 4.20 164 142 A 47 PHE HA A 47 PHE HD% 1.0 . 3.57 165 143 A 47 PHE HA A 24 ILE HD1% 1.0 . 5.23 166 144 A 48 THR H A 47 PHE HA 1.0 . 3.02 167 145 A 48 THR HG2% A 47 PHE HA 1.0 . 4.75 168 146 A 61 MET HA A 62 VAL HA 1.0 . 4.76 169 147 A 76 CYS H A 88 GLN HA 1.0 . 4.24 170 148 A 89 SER HA A 88 GLN HA 1.0 . 4.70 171 149 A 88 GLN HA A 87 ARG HA 1.0 . 4.51 172 150 A 88 GLN HA A 88 GLN HG2 1.0 . 3.56 173 150 A 88 GLN HA A 88 GLN HG3 1.0 . 3.56 174 151 A 83 GLU H A 84 LEU HA 1.0 . 5.37 175 152 A 101 MET H A 98 LEU HA 1.0 . 4.13 176 153 A 98 LEU HA A 98 LEU HDy% 1.0 . 4.64 177 154 A 98 LEU HA A 85 LEU HA 1.0 . 4.79 178 155 A 89 SER HA A 75 TYR HA 1.0 . 3.03 179 156 A 88 GLN HA A 76 CYS HA 1.0 . 4.94 180 157 A 85 LEU HA A 101 MET HB2 1.0 . 4.60 181 157 A 101 MET HB3 A 85 LEU HA 1.0 . 4.60 182 158 A 65 LEU H A 64 GLN HA 1.0 . 3.11 183 159 A 66 TYR HE% A 64 GLN HA 1.0 . 2.96 184 160 A 36 ILE HD1% A 33 LEU HA 1.0 . 4.25 185 161 A 33 LEU HA A 80 LEU HD1% 1.0 . 4.92 186 161 A 80 LEU HD2% A 33 LEU HA 1.0 . 4.92 187 162 A 63 LYS HA A 63 LYS HEy 1.0 . 5.07 188 162 A 63 LYS HA A 63 LYS HEx 1.0 . 5.07 189 163 A 91 SER HA A 90 PHE HD% 1.0 . 5.10 190 164 A 59 TYR HD% A 39 ALA HA 1.0 . 4.93 191 165 A 46 MET HA A 27 VAL HA 1.0 . 3.79 192 166 A 44 GLY H A 43 GLN HA 1.0 . 2.87 193 167 A 43 GLN HA A 43 GLN HGx 1.0 . 3.59 194 167 A 43 GLN HA A 43 GLN HGy 1.0 . 3.59 195 168 A 42 ALA HB% A 43 GLN HA 1.0 . 5.12 196 169 A 46 MET HA A 46 MET HB2 1.0 . 2.60 197 169 A 46 MET HA A 46 MET HB3 1.0 . 2.60 198 170 A 46 MET HA A 24 ILE HG2% 1.0 . 5.29 199 171 A 46 MET HA A 28 ARG HA 1.0 . 3.83 200 172 A 46 MET HA A 28 ARG HBy 1.0 . 4.87 201 173 A 47 PHE HE% A 28 ARG HA 1.0 . 4.82 202 174 A 80 LEU HA A 79 ASP HA 1.0 . 4.68 203 175 A 79 ASP HA A 80 LEU H 1.0 . 3.55 204 176 A 110 ALA HA A 109 LEU HB2 1.0 . 4.20 205 176 A 109 LEU HB3 A 110 ALA HA 1.0 . 4.20 206 177 A 108 THR HG2% A 110 ALA HA 1.0 . 5.09 207 178 A 28 ARG HA A 28 ARG HGx 1.0 . 3.97 208 179 A 28 ARG HA A 29 PRO HDx 1.0 . 3.35 209 180 A 28 ARG HA A 28 ARG HGy 1.0 . 3.97 210 181 A 28 ARG HA A 28 ARG HD2 1.0 . 4.81 211 181 A 28 ARG HA A 28 ARG HD3 1.0 . 4.81 212 182 A 59 TYR HA A 40 ALA HA 1.0 . 3.92 213 183 A 42 ALA HA A 40 ALA HB% 1.0 . 4.85 214 184 A 39 ALA H A 40 ALA HA 1.0 . 5.27 215 185 A 40 ALA HA A 58 GLN HG2 1.0 . 5.00 216 185 A 58 GLN HG3 A 40 ALA HA 1.0 . 5.00 217 186 A 47 PHE HE% A 29 PRO HDx 1.0 . 4.18 218 187 A 94 ASP HA A 95 PRO HDx 1.0 . 3.20 219 188 A 31 LEU HBx A 32 PRO HDy 1.0 . 3.38 220 188 A 31 LEU HBy A 32 PRO HDy 1.0 . 3.38 221 189 A 82 GLY HAx A 76 CYS HBx 1.0 . 4.35 222 189 A 76 CYS HBx A 82 GLY HAy 1.0 . 4.35 223 190 A 81 LEU HG A 82 GLY HAy 1.0 . 4.07 224 190 A 82 GLY HAx A 81 LEU HG 1.0 . 4.07 225 191 A 82 GLY HAx A 76 CYS HBy 1.0 . 4.35 226 191 A 76 CYS HBy A 82 GLY HAy 1.0 . 4.35 227 192 A 82 GLY H A 79 ASP HBy 1.0 . 4.08 228 193 A 88 GLN HG3 A 77 GLY HAy 1.0 . 4.81 229 193 A 77 GLY HAy A 88 GLN HG2 1.0 . 4.81 230 194 A 88 GLN HG3 A 77 GLY HAx 1.0 . 4.81 231 194 A 77 GLY HAx A 88 GLN HG2 1.0 . 4.81 232 195 A 81 LEU H A 79 ASP HBx 1.0 . 4.55 233 196 A 79 ASP H A 79 ASP HBx 1.0 . 3.35 234 197 A 48 THR H A 47 PHE HBx 1.0 . 4.14 235 198 A 103 ARG HA A 103 ARG HD2 1.0 . 4.07 236 198 A 103 ARG HD3 A 103 ARG HA 1.0 . 4.07 237 199 A 87 ARG HD3 A 97 PRO HBx 1.0 . 4.91 238 199 A 87 ARG HD2 A 97 PRO HBx 1.0 . 4.91 239 200 A 100 ASP HA A 103 ARG HD2 1.0 . 4.15 240 200 A 103 ARG HD3 A 100 ASP HA 1.0 . 4.15 241 201 A 87 ARG HD3 A 85 LEU HDx% 1.0 . 4.80 242 201 A 85 LEU HDx% A 87 ARG HD2 1.0 . 4.80 243 202 A 90 PHE HD% A 85 LEU HBy 1.0 . 5.05 244 203 A 82 GLY HAx A 85 LEU HBy 1.0 . 4.50 245 203 A 85 LEU HBy A 82 GLY HAy 1.0 . 4.50 246 204 A 82 GLY HAx A 85 LEU HBx 1.0 . 4.50 247 204 A 82 GLY HAy A 85 LEU HBx 1.0 . 4.50 248 205 A 68 GLN H A 67 ASP HBx 1.0 . 4.75 249 206 A 59 TYR HA A 63 LYS HEy 1.0 . 4.49 250 206 A 59 TYR HA A 63 LYS HEx 1.0 . 4.49 251 207 A 39 ALA HB% A 63 LYS HEy 1.0 . 3.62 252 207 A 39 ALA HB% A 63 LYS HEx 1.0 . 3.62 253 208 A 106 LEU H A 105 ASN HBx 1.0 . 3.67 254 209 A 80 LEU HD2% A 80 LEU HBy 1.0 . 3.65 255 209 A 80 LEU HBy A 80 LEU HD1% 1.0 . 3.65 256 210 A 36 ILE HD1% A 84 LEU HBy 1.0 . 4.01 257 211 A 80 LEU HD2% A 80 LEU HBx 1.0 . 3.65 258 211 A 80 LEU HBx A 80 LEU HD1% 1.0 . 3.65 259 212 A 36 ILE HD1% A 84 LEU HBx 1.0 . 4.01 260 213 A 30 LYS HE2 A 30 LYS HGy 1.0 . 3.77 261 213 A 30 LYS HE3 A 30 LYS HGy 1.0 . 3.77 262 213 A 30 LYS HGx A 30 LYS HE2 1.0 . 3.77 263 213 A 30 LYS HGx A 30 LYS HE3 1.0 . 3.77 264 214 A 35 LYS H A 34 LEU HBx 1.0 . 4.04 265 215 A 94 ASP H A 94 ASP HBy 1.0 . 3.99 266 216 A 93 LYS HBy A 93 LYS HE2 1.0 . 5.00 267 216 A 93 LYS HE3 A 93 LYS HBx 1.0 . 5.00 268 216 A 93 LYS HE3 A 93 LYS HBy 1.0 . 5.00 269 216 A 93 LYS HBx A 93 LYS HE2 1.0 . 5.00 270 217 A 103 ARG H A 102 LEU HBy 1.0 . 4.41 271 218 A 102 LEU H A 102 LEU HBy 1.0 . 3.86 272 219 A 103 ARG H A 102 LEU HBx 1.0 . 4.41 273 220 A 34 LEU H A 33 LEU HBx 1.0 . 4.45 274 221 A 24 ILE HG2% A 25 ASN HBy 1.0 . 4.96 275 222 A 30 LYS HGy A 31 LEU HBy 1.0 . 5.04 276 222 A 30 LYS HGx A 31 LEU HBy 1.0 . 5.04 277 222 A 31 LEU HBx A 30 LYS HGy 1.0 . 5.04 278 222 A 31 LEU HBx A 30 LYS HGx 1.0 . 5.04 279 223 A 26 GLN H A 25 ASN HBx 1.0 . 4.47 280 224 A 24 ILE HG2% A 25 ASN HBx 1.0 . 4.96 281 225 A 24 ILE HB A 25 ASN HA 1.0 . 5.07 282 226 A 24 ILE HB A 23 GLN HA 1.0 . 4.35 283 227 A 37 LEU H A 37 LEU HBx 1.0 . 3.88 284 228 A 42 ALA HB% A 37 LEU HBx 1.0 . 3.86 285 229 A 60 ILE H A 59 TYR HBy 1.0 . 4.19 286 230 A 75 TYR H A 75 TYR HBy 1.0 . 3.75 287 231 A 60 ILE H A 59 TYR HBx 1.0 . 4.19 288 232 A 75 TYR H A 75 TYR HBx 1.0 . 3.75 289 233 A 60 ILE HB A 60 ILE HD1% 1.0 . 3.93 290 234 A 51 GLU H A 51 GLU HGx 1.0 . 3.80 291 235 A 60 ILE HB A 61 MET H 1.0 . 3.75 292 236 A 36 ILE HB A 37 LEU H 1.0 . 3.43 293 237 A 36 ILE HB A 33 LEU HA 1.0 . 4.12 294 238 A 100 ASP H A 99 TYR HBy 1.0 . 3.98 295 239 A 100 ASP H A 99 TYR HBx 1.0 . 3.98 296 240 A 45 GLU HA A 45 GLU HGy 1.0 . 3.67 297 241 A 72 HIS HE1 A 70 GLU HGx 1.0 . 4.63 298 242 A 83 GLU HGy A 80 LEU HD1% 1.0 . 4.59 299 242 A 80 LEU HD2% A 83 GLU HGy 1.0 . 4.59 300 243 A 80 LEU HD1% A 83 GLU HGx 1.0 . 4.59 301 243 A 80 LEU HD2% A 83 GLU HGx 1.0 . 4.59 302 244 A 83 GLU HA A 83 GLU HGx 1.0 . 3.93 303 245 A 26 GLN HBx A 46 MET HB2 1.0 . 3.52 304 245 A 26 GLN HBy A 46 MET HB2 1.0 . 3.52 305 245 A 46 MET HB3 A 26 GLN HBy 1.0 . 3.52 306 245 A 46 MET HB3 A 26 GLN HBx 1.0 . 3.52 307 246 A 46 MET H A 46 MET HB2 1.0 . 3.12 308 246 A 46 MET H A 46 MET HB3 1.0 . 3.12 309 247 A 45 GLU H A 46 MET HB2 1.0 . 4.54 310 247 A 45 GLU H A 46 MET HB3 1.0 . 4.54 311 248 A 69 GLN H A 68 GLN HG2 1.0 . 3.87 312 248 A 68 GLN HG3 A 69 GLN H 1.0 . 3.87 313 249 A 27 VAL H A 26 GLN HGy 1.0 . 4.50 314 250 A 48 THR HG2% A 26 GLN HGy 1.0 . 4.11 315 251 A 64 GLN HA A 64 GLN HG2 1.0 . 3.43 316 251 A 64 GLN HA A 64 GLN HG3 1.0 . 3.43 317 252 A 65 LEU HA A 64 GLN HG2 1.0 . 4.51 318 252 A 65 LEU HA A 64 GLN HG3 1.0 . 4.51 319 253 A 89 SER H A 88 GLN HG2 1.0 . 4.41 320 253 A 88 GLN HG3 A 89 SER H 1.0 . 4.41 321 254 A 69 GLN HE21 A 68 GLN HG2 1.0 . 5.05 322 254 A 68 GLN HG3 A 69 GLN HE21 1.0 . 5.05 323 255 A 68 GLN H A 68 GLN HG2 1.0 . 3.35 324 255 A 68 GLN H A 68 GLN HG3 1.0 . 3.35 325 256 A 68 GLN HA A 68 GLN HG2 1.0 . 3.13 326 256 A 68 GLN HG3 A 68 GLN HA 1.0 . 3.13 327 257 A 69 GLN HE22 A 68 GLN HG2 1.0 . 5.05 328 257 A 68 GLN HG3 A 69 GLN HE22 1.0 . 5.05 329 258 A 69 GLN H A 69 GLN HGx 1.0 . 3.74 330 258 A 69 GLN H A 69 GLN HGy 1.0 . 3.74 331 259 A 62 VAL H A 58 GLN HG2 1.0 . 5.13 332 259 A 62 VAL H A 58 GLN HG3 1.0 . 5.13 333 260 A 51 GLU H A 50 LYS HBx 1.0 . 4.24 334 261 A 46 MET HA A 28 ARG HBx 1.0 . 4.87 335 262 A 102 LEU HDy% A 53 MET HBy 1.0 . 4.94 336 262 A 53 MET HBy A 102 LEU HDx% 1.0 . 4.94 337 263 A 53 MET H A 53 MET HBx 1.0 . 3.89 338 264 A 102 LEU HDy% A 53 MET HBx 1.0 . 4.94 339 264 A 53 MET HBx A 102 LEU HDx% 1.0 . 4.94 340 265 A 46 MET H A 45 GLU HBy 1.0 . 4.83 341 266 A 24 ILE HG2% A 26 GLN HBy 1.0 . 4.41 342 266 A 24 ILE HG2% A 26 GLN HBx 1.0 . 4.41 343 267 A 51 GLU H A 50 LYS HBy 1.0 . 4.24 344 268 A 46 MET H A 45 GLU HBx 1.0 . 4.83 345 269 A 50 LYS H A 50 LYS HBx 1.0 . 3.35 346 270 A 35 LYS H A 35 LYS HBx 1.0 . 3.43 347 271 A 99 TYR HD% A 95 PRO HB2 1.0 . 4.48 348 271 A 95 PRO HB3 A 99 TYR HD% 1.0 . 4.48 349 272 A 43 GLN H A 43 GLN HBy 1.0 . 3.84 350 273 A 60 ILE HA A 61 MET HBx 1.0 . 5.21 351 273 A 60 ILE HA A 61 MET HBy 1.0 . 5.21 352 274 A 61 MET H A 61 MET HBx 1.0 . 3.76 353 274 A 61 MET H A 61 MET HBy 1.0 . 3.76 354 275 A 60 ILE HG2% A 61 MET HBx 1.0 . 4.62 355 275 A 60 ILE HG2% A 61 MET HBy 1.0 . 4.62 356 276 A 80 LEU HD2% A 32 PRO HBy 1.0 . 4.67 357 276 A 32 PRO HBy A 80 LEU HD1% 1.0 . 4.67 358 277 A 100 ASP H A 101 MET HG2 1.0 . 4.77 359 277 A 100 ASP H A 101 MET HG3 1.0 . 4.77 360 278 A 97 PRO HBy A 87 ARG HD2 1.0 . 4.91 361 278 A 87 ARG HD3 A 97 PRO HBy 1.0 . 4.91 362 279 A 63 LYS H A 62 VAL HB 1.0 . 3.89 363 280 A 108 THR HG2% A 49 VAL HB 1.0 . 4.67 364 281 A 48 THR HA A 49 VAL HB 1.0 . 4.84 365 282 A 80 LEU HD2% A 32 PRO HBx 1.0 . 4.67 366 282 A 32 PRO HBx A 80 LEU HD1% 1.0 . 4.67 367 283 A 62 VAL H A 61 MET HGy 1.0 . 4.56 368 283 A 62 VAL H A 61 MET HGx 1.0 . 4.56 369 284 A 64 GLN H A 63 LYS HBy 1.0 . 4.47 370 285 A 63 LYS H A 63 LYS HBx 1.0 . 3.72 371 286 A 55 TYR H A 54 HIS HBx 1.0 . 3.95 372 287 A 103 ARG HB2 A 104 LYS HD2 1.0 . 5.47 373 287 A 103 ARG HB3 A 104 LYS HD2 1.0 . 5.47 374 287 A 104 LYS HD3 A 103 ARG HB2 1.0 . 5.47 375 287 A 103 ARG HB3 A 104 LYS HD3 1.0 . 5.47 376 288 A 102 LEU H A 103 ARG HB2 1.0 . 4.31 377 288 A 102 LEU H A 103 ARG HB3 1.0 . 4.31 378 289 A 76 CYS H A 88 GLN HBy 1.0 . 3.99 379 289 A 76 CYS H A 88 GLN HBx 1.0 . 3.99 380 290 A 82 GLY H A 76 CYS HBy 1.0 . 4.64 381 291 A 82 GLY H A 76 CYS HBx 1.0 . 4.64 382 292 A 80 LEU HD1% A 83 GLU HB2 1.0 . 4.04 383 292 A 80 LEU HD2% A 83 GLU HB2 1.0 . 4.04 384 292 A 83 GLU HB3 A 80 LEU HD1% 1.0 . 4.04 385 292 A 80 LEU HD2% A 83 GLU HB3 1.0 . 4.04 386 293 A 33 LEU H A 30 LYS HD2 1.0 . 4.89 387 293 A 33 LEU H A 30 LYS HD3 1.0 . 4.89 388 294 A 30 LYS HA A 30 LYS HD2 1.0 . 4.59 389 294 A 30 LYS HA A 30 LYS HD3 1.0 . 4.59 390 295 A 35 LYS H A 35 LYS HD2 1.0 . 3.48 391 295 A 35 LYS H A 35 LYS HD3 1.0 . 3.48 392 296 A 68 GLN HG3 A 68 GLN HBx 1.0 . 2.98 393 296 A 68 GLN HBx A 68 GLN HG2 1.0 . 2.98 394 297 A 72 HIS HA A 71 GLN HBy 1.0 . 4.09 395 297 A 72 HIS HA A 71 GLN HBx 1.0 . 4.09 396 298 A 63 LYS H A 63 LYS HDy 1.0 . 4.63 397 299 A 63 LYS H A 63 LYS HDx 1.0 . 4.63 398 300 A 63 LYS HA A 63 LYS HDx 1.0 . 4.18 399 301 A 105 ASN HA A 104 LYS HD2 1.0 . 4.53 400 301 A 105 ASN HA A 104 LYS HD3 1.0 . 4.53 401 302 A 24 ILE HA A 24 ILE HG1y 1.0 . 3.95 402 303 A 105 ASN HA A 30 LYS HGy 1.0 . 4.85 403 303 A 105 ASN HA A 30 LYS HGx 1.0 . 4.85 404 304 A 34 LEU H A 34 LEU HG 1.0 . 4.83 405 305 A 31 LEU H A 31 LEU HG 1.0 . 4.41 406 306 A 85 LEU HG A 87 ARG HD2 1.0 . 5.22 407 306 A 87 ARG HD3 A 85 LEU HG 1.0 . 5.22 408 307 A 102 LEU H A 104 LYS HD2 1.0 . 4.18 409 307 A 102 LEU H A 104 LYS HD3 1.0 . 4.18 410 308 A 90 PHE HZ A 85 LEU HDx% 1.0 . 5.50 411 309 A 85 LEU H A 85 LEU HDx% 1.0 . 4.58 412 310 A 90 PHE HD% A 85 LEU HDx% 1.0 . 3.97 413 311 A 98 LEU HA A 85 LEU HDx% 1.0 . 4.81 414 312 A 34 LEU HA A 37 LEU HG 1.0 . 4.77 415 313 A 37 LEU H A 37 LEU HG 1.0 . 3.80 416 314 A 65 LEU H A 65 LEU HG 1.0 . 5.08 417 315 A 87 ARG H A 87 ARG HGx 1.0 . 5.01 418 316 A 65 LEU H A 65 LEU HDx% 1.0 . 4.94 419 317 A 52 VAL HA A 37 LEU HDy% 1.0 . 4.40 420 318 A 104 LYS H A 104 LYS HGx 1.0 . 4.31 421 319 A 89 SER H A 87 ARG HGx 1.0 . 4.65 422 320 A 106 LEU H A 106 LEU HDx% 1.0 . 4.64 423 321 A 106 LEU HA A 106 LEU HDx% 1.0 . 4.51 424 322 A 109 LEU HA A 109 LEU HDx% 1.0 . 3.63 425 323 A 36 ILE HA A 35 LYS HG2 1.0 . 4.67 426 323 A 36 ILE HA A 35 LYS HG3 1.0 . 4.67 427 324 A 35 LYS H A 34 LEU HDy% 1.0 . 4.81 428 325 A 35 LYS H A 35 LYS HG2 1.0 . 4.27 429 325 A 35 LYS H A 35 LYS HG3 1.0 . 4.27 430 326 A 35 LYS HE3 A 35 LYS HG2 1.0 . 3.87 431 326 A 35 LYS HE2 A 35 LYS HG2 1.0 . 3.87 432 326 A 35 LYS HG3 A 35 LYS HE2 1.0 . 3.87 433 326 A 35 LYS HE3 A 35 LYS HG3 1.0 . 3.87 434 327 A 87 ARG H A 85 LEU HDy% 1.0 . 5.50 435 328 A 85 LEU H A 85 LEU HDy% 1.0 . 4.58 436 329 A 98 LEU HA A 85 LEU HDy% 1.0 . 4.81 437 330 A 59 TYR HA A 63 LYS HG2 1.0 . 3.93 438 330 A 63 LYS HG3 A 59 TYR HA 1.0 . 3.93 439 331 A 80 LEU HA A 80 LEU HD1% 1.0 . 2.82 440 331 A 80 LEU HD2% A 80 LEU HA 1.0 . 2.82 441 332 A 36 ILE HG2% A 80 LEU HD1% 1.0 . 5.33 442 332 A 36 ILE HG2% A 80 LEU HD2% 1.0 . 5.33 443 333 A 49 VAL H A 49 VAL HGx% 1.0 . 3.80 444 334 A 50 LYS H A 49 VAL HGx% 1.0 . 4.47 445 335 A 101 MET HE% A 98 LEU HDx% 1.0 . 4.40 446 336 A 49 VAL HA A 52 VAL HGy% 1.0 . 3.72 447 337 A 99 TYR HA A 102 LEU HDx% 1.0 . 4.47 448 337 A 99 TYR HA A 102 LEU HDy% 1.0 . 4.47 449 338 A 106 LEU HA A 106 LEU HDy% 1.0 . 4.51 450 339 A 102 LEU H A 102 LEU HDx% 1.0 . 4.18 451 339 A 102 LEU H A 102 LEU HDy% 1.0 . 4.18 452 340 A 29 PRO HA A 106 LEU HDy% 1.0 . 4.52 453 341 A 34 LEU HA A 37 LEU HDx% 1.0 . 4.94 454 342 A 93 LYS H A 92 VAL HGx% 1.0 . 4.66 455 343 A 52 VAL H A 52 VAL HGy% 1.0 . 3.22 456 344 A 36 ILE HG2% A 81 LEU HDy% 1.0 . 5.06 457 345 A 52 VAL HA A 37 LEU HDx% 1.0 . 4.40 458 346 A 48 THR HG2% A 26 GLN HE21 1.0 . 4.46 459 347 A 48 THR HG2% A 50 LYS H 1.0 . 4.25 460 348 A 48 THR HG2% A 26 GLN HE22 1.0 . 4.46 461 349 A 48 THR HG2% A 26 GLN HA 1.0 . 4.34 462 350 A 48 THR HG2% A 26 GLN HGx 1.0 . 4.11 463 351 A 109 LEU H A 108 THR HG2% 1.0 . 3.96 464 352 A 64 GLN H A 62 VAL HGx% 1.0 . 5.03 465 353 A 62 VAL H A 62 VAL HGx% 1.0 . 4.21 466 354 A 40 ALA HA A 62 VAL HGx% 1.0 . 4.83 467 355 A 49 VAL H A 49 VAL HGy% 1.0 . 3.80 468 356 A 28 ARG H A 27 VAL HGy% 1.0 . 3.99 469 357 A 108 THR HG2% A 106 LEU HG 1.0 . 4.78 470 358 A 53 MET H A 52 VAL HGx% 1.0 . 4.01 471 359 A 49 VAL HA A 49 VAL HGy% 1.0 . 3.24 472 360 A 50 LYS H A 49 VAL HGy% 1.0 . 4.47 473 361 A 65 LEU H A 65 LEU HDy% 1.0 . 4.94 474 362 A 36 ILE HG2% A 40 ALA HB% 1.0 . 4.76 475 363 A 40 ALA HB% A 59 TYR HA 1.0 . 3.21 476 364 A 62 VAL HA A 62 VAL HGy% 1.0 . 3.30 477 365 A 40 ALA HA A 62 VAL HGy% 1.0 . 4.83 478 366 A 107 VAL HA A 107 VAL HGx% 1.0 . 3.21 479 367 A 49 VAL HA A 52 VAL HGx% 1.0 . 3.72 480 368 A 39 ALA H A 40 ALA HB% 1.0 . 4.91 481 369 A 40 ALA HB% A 62 VAL HGx% 1.0 . 5.12 482 370 A 40 ALA HB% A 63 LYS HG2 1.0 . 4.98 483 370 A 63 LYS HG3 A 40 ALA HB% 1.0 . 4.98 484 371 A 40 ALA HB% A 62 VAL HGy% 1.0 . 5.12 485 372 A 111 THR H A 110 ALA HB% 1.0 . 4.18 486 373 A 108 THR H A 110 ALA HB% 1.0 . 4.91 487 374 A 60 ILE HG2% A 61 MET HA 1.0 . 4.72 488 375 A 42 ALA HB% A 38 HIS HA 1.0 . 3.41 489 376 A 42 ALA HB% A 37 LEU HBy 1.0 . 3.86 490 377 A 28 ARG H A 27 VAL HGx% 1.0 . 3.99 491 378 A 42 ALA HB% A 43 GLN H 1.0 . 3.49 492 379 A 47 PHE HE% A 42 ALA HB% 1.0 . 3.52 493 380 A 42 ALA HB% A 40 ALA HB% 1.0 . 4.90 494 381 A 42 ALA HB% A 37 LEU HG 1.0 . 5.37 495 382 A 40 ALA H A 39 ALA HB% 1.0 . 3.67 496 383 A 39 ALA HB% A 40 ALA HA 1.0 . 4.23 497 384 A 36 ILE HG2% A 39 ALA HB% 1.0 . 5.50 498 385 A 39 ALA HB% A 63 LYS HZ% 1.0 . 3.51 499 386 A 39 ALA HB% A 63 LYS HG2 1.0 . 4.58 500 386 A 39 ALA HB% A 63 LYS HG3 1.0 . 4.58 501 387 A 48 THR H A 24 ILE HG2% 1.0 . 4.08 502 388 A 47 PHE HA A 24 ILE HG2% 1.0 . 4.41 503 389 A 53 MET H A 53 MET HE% 1.0 . 5.07 504 390 A 101 MET H A 101 MET HE% 1.0 . 4.47 505 391 A 101 MET HE% A 102 LEU HDx% 1.0 . 2.61 506 391 A 102 LEU HDy% A 101 MET HE% 1.0 . 2.61 507 392 A 102 LEU H A 101 MET HE% 1.0 . 4.05 508 393 A 99 TYR HA A 101 MET HE% 1.0 . 4.47 509 394 A 101 MET HE% A 98 LEU HDy% 1.0 . 4.40 510 395 A 61 MET H A 61 MET HE% 1.0 . 5.50 511 396 A 46 MET HE% A 24 ILE HD1% 1.0 . 4.63 512 397 A 45 GLU H A 46 MET HE% 1.0 . 4.89 513 398 A 66 TYR HE% A 61 MET HE% 1.0 . 3.81 514 399 A 61 MET HE% A 61 MET HBx 1.0 . 3.94 515 399 A 61 MET HE% A 61 MET HBy 1.0 . 3.94 516 400 A 60 ILE HA A 60 ILE HD1% 1.0 . 4.73 517 401 A 36 ILE HG2% A 81 LEU HDx% 1.0 . 5.06 518 402 A 60 ILE HD1% A 61 MET HBx 1.0 . 5.11 519 402 A 60 ILE HD1% A 61 MET HBy 1.0 . 5.11 520 403 A 24 ILE HD1% A 46 MET HB2 1.0 . 4.90 521 403 A 46 MET HB3 A 24 ILE HD1% 1.0 . 4.90 522 404 A 46 MET H A 24 ILE HD1% 1.0 . 5.05 523 405 A 46 MET HA A 24 ILE HD1% 1.0 . 5.36 524 406 A 24 ILE HA A 24 ILE HD1% 1.0 . 4.27 525 407 A 81 LEU H A 36 ILE HD1% 1.0 . 4.15 526 408 A 35 LYS H A 36 ILE HD1% 1.0 . 4.97 527 409 A 36 ILE HD1% A 80 LEU H 1.0 . 5.22 528 410 A 36 ILE H A 36 ILE HD1% 1.0 . 3.82 529 411 A 36 ILE HD1% A 80 LEU HD1% 1.0 . 3.80 530 411 A 80 LEU HD2% A 36 ILE HD1% 1.0 . 3.80 531 412 A 47 PHE H A 24 ILE HD1% 1.0 . 5.09 532 413 A 24 ILE H A 24 ILE HD1% 1.0 . 4.67 533 414 A 24 ILE HB A 24 ILE HD1% 1.0 . 3.68 534 415 A 81 LEU H A 80 LEU H 1.0 . 4.70 535 416 A 80 LEU H A 80 LEU HD1% 1.0 . 4.86 536 416 A 80 LEU HD2% A 80 LEU H 1.0 . 4.86 537 417 A 109 LEU H A 109 LEU HDy% 1.0 . 4.67 538 418 A 75 TYR H A 66 TYR H 1.0 . 5.25 539 419 A 110 ALA H A 111 THR HB 1.0 . 5.50 540 420 A 110 ALA H A 110 ALA HB% 1.0 . 3.52 541 421 A 39 ALA H A 42 ALA HB% 1.0 . 5.50 542 422 A 39 ALA H A 35 LYS HD2 1.0 . 5.09 543 422 A 39 ALA H A 35 LYS HD3 1.0 . 5.09 544 423 A 39 ALA H A 38 HIS H 1.0 . 3.18 545 424 A 39 ALA H A 40 ALA H 1.0 . 3.19 546 425 A 39 ALA H A 36 ILE H 1.0 . 4.66 547 426 A 39 ALA H A 35 LYS HA 1.0 . 4.42 548 427 A 39 ALA H A 39 ALA HB% 1.0 . 2.82 549 428 A 42 ALA H A 38 HIS HD2 1.0 . 4.84 550 429 A 43 GLN H A 42 ALA H 1.0 . 4.75 551 430 A 42 ALA H A 40 ALA HB% 1.0 . 4.33 552 431 A 42 ALA HB% A 42 ALA H 1.0 . 2.93 553 432 A 38 HIS H A 42 ALA H 1.0 . 4.76 554 433 A 107 VAL H A 106 LEU HA 1.0 . 3.46 555 434 A 107 VAL H A 107 VAL HB 1.0 . 3.07 556 435 A 107 VAL H A 106 LEU HG 1.0 . 4.76 557 436 A 107 VAL H A 107 VAL HGy% 1.0 . 4.11 558 437 A 70 GLU H A 67 ASP HBx 1.0 . 3.99 559 438 A 67 ASP H A 74 VAL HA 1.0 . 4.18 560 439 A 67 ASP H A 67 ASP HBy 1.0 . 3.53 561 440 A 67 ASP H A 73 MET H 1.0 . 5.47 562 441 A 70 GLU H A 70 GLU HB2 1.0 . 3.31 563 441 A 70 GLU H A 70 GLU HB3 1.0 . 3.31 564 442 A 49 VAL H A 48 THR HG2% 1.0 . 4.75 565 443 A 49 VAL H A 108 THR HB 1.0 . 5.19 566 444 A 36 ILE H A 34 LEU H 1.0 . 4.82 567 445 A 83 GLU H A 80 LEU HD1% 1.0 . 5.35 568 445 A 83 GLU H A 80 LEU HD2% 1.0 . 5.35 569 446 A 28 ARG H A 27 VAL H 1.0 . 5.36 570 447 A 31 LEU H A 30 LYS HA 1.0 . 3.27 571 448 A 31 LEU H A 30 LYS HBy 1.0 . 4.07 572 449 A 31 LEU H A 30 LYS HBx 1.0 . 4.07 573 450 A 102 LEU H A 102 LEU HG 1.0 . 3.35 574 451 A 30 LYS H A 30 LYS HBx 1.0 . 3.55 575 452 A 34 LEU H A 34 LEU HBx 1.0 . 3.22 576 453 A 83 GLU H A 36 ILE HD1% 1.0 . 5.50 577 454 A 83 GLU H A 85 LEU H 1.0 . 4.97 578 455 A 83 GLU H A 83 GLU HB2 1.0 . 2.74 579 455 A 83 GLU H A 83 GLU HB3 1.0 . 2.74 580 456 A 28 ARG H A 46 MET HA 1.0 . 4.95 581 457 A 59 TYR H A 62 VAL H 1.0 . 5.40 582 458 A 62 VAL H A 62 VAL HGy% 1.0 . 4.21 583 459 A 60 ILE HA A 62 VAL H 1.0 . 5.16 584 460 A 59 TYR H A 60 ILE H 1.0 . 3.56 585 461 A 59 TYR H A 59 TYR HBy 1.0 . 3.27 586 462 A 62 VAL H A 61 MET HBx 1.0 . 5.07 587 462 A 62 VAL H A 61 MET HBy 1.0 . 5.07 588 463 A 24 ILE H A 23 GLN HA 1.0 . 2.88 589 464 A 24 ILE H A 24 ILE HG1x 1.0 . 4.08 590 465 A 24 ILE H A 24 ILE HG1y 1.0 . 4.08 591 466 A 24 ILE H A 24 ILE HG2% 1.0 . 4.16 592 467 A 36 ILE H A 32 PRO HA 1.0 . 5.50 593 468 A 36 ILE H A 37 LEU H 1.0 . 3.19 594 469 A 36 ILE H A 33 LEU HA 1.0 . 3.98 595 470 A 36 ILE H A 36 ILE HG1y 1.0 . 3.61 596 471 A 36 ILE H A 80 LEU HD1% 1.0 . 4.52 597 471 A 36 ILE H A 80 LEU HD2% 1.0 . 4.52 598 472 A 51 GLU H A 51 GLU HBy 1.0 . 3.69 599 473 A 51 GLU H A 52 VAL HGy% 1.0 . 4.72 600 474 A 51 GLU H A 48 THR HB 1.0 . 3.68 601 475 A 51 GLU H A 51 GLU HGy 1.0 . 3.80 602 476 A 51 GLU H A 51 GLU HBx 1.0 . 3.69 603 477 A 79 ASP H A 82 GLY H 1.0 . 4.74 604 478 A 79 ASP H A 80 LEU H 1.0 . 4.98 605 479 A 79 ASP H A 78 GLY H 1.0 . 4.09 606 480 A 73 MET H A 72 HIS H 1.0 . 3.44 607 481 A 48 THR H A 52 VAL H 1.0 . 4.51 608 482 A 51 GLU H A 52 VAL H 1.0 . 3.81 609 483 A 52 VAL H A 52 VAL HB 1.0 . 3.62 610 484 A 71 GLN H A 72 HIS H 1.0 . 3.68 611 485 A 71 GLN H A 70 GLU HA 1.0 . 2.74 612 486 A 81 LEU H A 79 ASP HA 1.0 . 4.92 613 487 A 36 ILE HA A 81 LEU H 1.0 . 4.88 614 488 A 81 LEU H A 79 ASP HBy 1.0 . 4.55 615 489 A 81 LEU H A 81 LEU HBx 1.0 . 3.53 616 490 A 81 LEU H A 63 LYS HZ% 1.0 . 5.35 617 491 A 47 PHE H A 27 VAL HA 1.0 . 5.26 618 492 A 47 PHE H A 46 MET HB2 1.0 . 3.66 619 492 A 47 PHE H A 46 MET HB3 1.0 . 3.66 620 493 A 47 PHE H A 47 PHE HD% 1.0 . 3.87 621 494 A 47 PHE H A 28 ARG HA 1.0 . 4.67 622 495 A 26 GLN H A 25 ASN HBy 1.0 . 4.47 623 496 A 26 GLN H A 25 ASN HA 1.0 . 2.59 624 497 A 96 SER H A 95 PRO HGx 1.0 . 4.56 625 498 A 59 TYR H A 58 GLN H 1.0 . 3.48 626 499 A 106 LEU H A 102 LEU HA 1.0 . 4.63 627 500 A 102 LEU H A 101 MET H 1.0 . 3.26 628 501 A 100 ASP H A 101 MET H 1.0 . 3.46 629 502 A 81 LEU H A 80 LEU HD1% 1.0 . 4.09 630 502 A 81 LEU H A 80 LEU HD2% 1.0 . 4.09 631 503 A 48 THR HA A 50 LYS H 1.0 . 4.59 632 504 A 49 VAL H A 50 LYS H 1.0 . 3.36 633 505 A 51 GLU H A 50 LYS H 1.0 . 3.49 634 506 A 50 LYS H A 49 VAL HB 1.0 . 3.72 635 507 A 50 LYS H A 50 LYS HBy 1.0 . 3.35 636 508 A 84 LEU H A 80 LEU HD1% 1.0 . 5.20 637 508 A 84 LEU H A 80 LEU HD2% 1.0 . 5.20 638 509 A 84 LEU H A 84 LEU HDx% 1.0 . 4.12 639 510 A 40 ALA H A 42 ALA HB% 1.0 . 5.50 640 511 A 106 LEU H A 106 LEU HBy 1.0 . 3.93 641 512 A 106 LEU H A 104 LYS HD2 1.0 . 5.45 642 512 A 106 LEU H A 104 LYS HD3 1.0 . 5.45 643 513 A 106 LEU H A 29 PRO HA 1.0 . 5.32 644 514 A 106 LEU H A 106 LEU HDy% 1.0 . 4.64 645 515 A 110 ALA H A 111 THR H 1.0 . 4.66 646 516 A 40 ALA H A 38 HIS HA 1.0 . 4.25 647 517 A 59 TYR HD% A 40 ALA H 1.0 . 4.23 648 518 A 40 ALA H A 37 LEU HA 1.0 . 4.25 649 519 A 38 HIS H A 40 ALA H 1.0 . 4.44 650 520 A 100 ASP H A 99 TYR H 1.0 . 3.49 651 521 A 99 TYR H A 99 TYR HBx 1.0 . 3.54 652 522 A 99 TYR H A 98 LEU H 1.0 . 3.03 653 523 A 38 HIS H A 34 LEU HA 1.0 . 4.70 654 524 A 47 PHE HE% A 43 GLN H 1.0 . 4.51 655 525 A 43 GLN H A 43 GLN HBx 1.0 . 3.84 656 526 A 103 ARG H A 99 TYR HA 1.0 . 4.71 657 527 A 55 TYR H A 54 HIS HBy 1.0 . 3.95 658 528 A 76 CYS H A 75 TYR HBy 1.0 . 5.32 659 529 A 63 LYS H A 62 VAL H 1.0 . 3.36 660 530 A 63 LYS H A 62 VAL HGy% 1.0 . 3.68 661 531 A 39 ALA H A 37 LEU H 1.0 . 4.48 662 532 A 37 LEU H A 37 LEU HBy 1.0 . 3.88 663 533 A 60 ILE H A 62 VAL H 1.0 . 5.50 664 534 A 55 TYR H A 54 HIS H 1.0 . 3.59 665 535 A 55 TYR H A 55 TYR HBx 1.0 . 3.82 666 536 A 76 CYS H A 75 TYR HBx 1.0 . 5.32 667 537 A 93 LYS H A 91 SER H 1.0 . 4.74 668 538 A 93 LYS H A 92 VAL HGy% 1.0 . 4.66 669 539 A 63 LYS H A 61 MET HA 1.0 . 5.11 670 540 A 64 GLN H A 65 LEU H 1.0 . 4.35 671 541 A 61 MET H A 58 GLN HA 1.0 . 4.63 672 542 A 61 MET H A 61 MET HGy 1.0 . 4.51 673 542 A 61 MET H A 61 MET HGx 1.0 . 4.51 674 543 A 59 TYR H A 61 MET H 1.0 . 5.50 675 544 A 68 GLN H A 69 GLN H 1.0 . 3.63 676 545 A 69 GLN H A 70 GLU H 1.0 . 2.91 677 546 A 66 TYR HA A 65 LEU H 1.0 . 4.81 678 547 A 64 GLN H A 62 VAL H 1.0 . 4.31 679 548 A 64 GLN H A 63 LYS HBx 1.0 . 4.47 680 549 A 64 GLN H A 64 GLN HG2 1.0 . 3.38 681 549 A 64 GLN H A 64 GLN HG3 1.0 . 3.38 682 550 A 64 GLN H A 62 VAL HGy% 1.0 . 5.03 683 551 A 94 ASP H A 95 PRO HA 1.0 . 5.20 684 552 A 46 MET H A 44 GLY HAx 1.0 . 4.43 685 553 A 46 MET H A 45 GLU H 1.0 . 2.95 686 554 A 84 LEU H A 85 LEU H 1.0 . 3.35 687 555 A 85 LEU H A 85 LEU HBy 1.0 . 3.80 688 556 A 37 LEU H A 35 LYS H 1.0 . 4.52 689 557 A 35 LYS H A 33 LEU HA 1.0 . 4.98 690 558 A 38 HIS H A 35 LYS H 1.0 . 5.18 691 559 A 94 ASP H A 91 SER H 1.0 . 5.16 692 560 A 47 PHE HZ A 45 GLU H 1.0 . 5.50 693 561 A 50 LYS HA A 53 MET H 1.0 . 4.11 694 562 A 53 MET H A 52 VAL HB 1.0 . 3.27 695 563 A 53 MET H A 53 MET HGy 1.0 . 4.11 696 564 A 53 MET H A 53 MET HGx 1.0 . 4.11 697 565 A 53 MET H A 52 VAL HGy% 1.0 . 4.01 698 566 A 35 LYS H A 34 LEU H 1.0 . 3.58 699 567 A 35 LYS H A 35 LYS HBy 1.0 . 3.43 700 568 A 45 GLU H A 24 ILE HD1% 1.0 . 5.29 701 569 A 45 GLU H A 44 GLY HAx 1.0 . 3.57 702 570 A 42 ALA HB% A 45 GLU H 1.0 . 5.50 703 571 A 49 VAL HA A 53 MET H 1.0 . 4.55 704 572 A 102 LEU H A 105 ASN H 1.0 . 5.21 705 573 A 105 ASN H A 103 ARG HA 1.0 . 4.42 706 574 A 105 ASN H A 105 ASN HBx 1.0 . 3.74 707 575 A 105 ASN H A 104 LYS HBx 1.0 . 4.14 708 575 A 105 ASN H A 104 LYS HBy 1.0 . 4.14 709 576 A 104 LYS H A 104 LYS HD2 1.0 . 3.41 710 576 A 104 LYS H A 104 LYS HD3 1.0 . 3.41 711 577 A 104 LYS H A 103 ARG HB2 1.0 . 3.52 712 577 A 104 LYS H A 103 ARG HB3 1.0 . 3.52 713 578 A 104 LYS H A 104 LYS HGy 1.0 . 4.31 714 579 A 48 THR HG2% A 27 VAL H 1.0 . 5.20 715 580 A 27 VAL H A 26 GLN HGx 1.0 . 4.50 716 581 A 91 SER H A 90 PHE HBx 1.0 . 3.87 717 582 A 91 SER H A 91 SER HBx 1.0 . 3.84 718 583 A 87 ARG H A 85 LEU HBx 1.0 . 4.01 719 584 A 87 ARG H A 85 LEU HDx% 1.0 . 5.50 720 585 A 65 LEU H A 66 TYR H 1.0 . 3.34 721 586 A 66 TYR H A 65 LEU HBy 1.0 . 4.97 722 587 A 33 LEU H A 33 LEU HBy 1.0 . 3.61 723 588 A 33 LEU H A 33 LEU HG 1.0 . 4.66 724 589 A 33 LEU H A 33 LEU HBx 1.0 . 3.61 725 590 A 33 LEU H A 35 LYS H 1.0 . 4.43 726 591 A 105 ASN HA A 105 ASN HD21 1.0 . 3.19 727 592 A 105 ASN HA A 105 ASN HD22 1.0 . 3.19 728 593 A 41 GLY H A 58 GLN HE21 1.0 . 4.86 729 594 A 55 TYR HA A 58 GLN HE21 1.0 . 4.78 730 595 A 41 GLY H A 58 GLN HE22 1.0 . 4.86 731 596 A 76 CYS H A 77 GLY H 1.0 . 3.55 732 597 A 64 GLN HE21 A 62 VAL HA 1.0 . 5.50 733 598 A 87 ARG HA A 89 SER H 1.0 . 3.88 734 599 A 48 THR H A 47 PHE HD% 1.0 . 4.54 735 600 A 48 THR H A 47 PHE HBy 1.0 . 4.14 736 601 A 48 THR H A 51 GLU HBy 1.0 . 4.24 737 602 A 48 THR H A 51 GLU HBx 1.0 . 4.24 738 603 A 76 CYS H A 89 SER H 1.0 . 5.34 739 604 A 89 SER H A 88 GLN H 1.0 . 5.47 740 605 A 89 SER H A 87 ARG HD2 1.0 . 5.13 741 605 A 87 ARG HD3 A 89 SER H 1.0 . 5.13 742 606 A 89 SER H A 88 GLN HBy 1.0 . 3.67 743 606 A 89 SER H A 88 GLN HBx 1.0 . 3.67 744 607 A 89 SER H A 87 ARG HGy 1.0 . 4.65 745 608 A 90 PHE H A 89 SER H 1.0 . 4.99 746 609 A 44 GLY H A 45 GLU H 1.0 . 5.21 747 610 A 44 GLY H A 38 HIS HD2 1.0 . 4.95 748 611 A 44 GLY H A 45 GLU HA 1.0 . 5.03 749 612 A 44 GLY H A 43 GLN HBx 1.0 . 4.82 750 613 A 86 GLY H A 85 LEU HBy 1.0 . 4.45 751 614 A 86 GLY H A 85 LEU HBx 1.0 . 4.45 752 615 A 82 GLY H A 80 LEU H 1.0 . 5.40 753 616 A 82 GLY H A 76 CYS HA 1.0 . 5.50 754 617 A 42 ALA HB% A 41 GLY H 1.0 . 4.56 755 618 A 55 TYR HD% A 41 GLY H 1.0 . 5.50 756 619 A 39 ALA H A 41 GLY H 1.0 . 4.84 757 620 A 72 HIS HE1 A 70 GLU HGy 1.0 . 4.63 758 621 A 72 HIS HE1 A 70 GLU HB2 1.0 . 4.89 759 621 A 70 GLU HB3 A 72 HIS HE1 1.0 . 4.89 760 622 A 72 HIS HE1 A 71 GLN HBy 1.0 . 4.84 761 622 A 72 HIS HE1 A 71 GLN HBx 1.0 . 4.84 762 623 A 66 TYR HD% A 65 LEU H 1.0 . 4.34 763 624 A 66 TYR HD% A 61 MET HA 1.0 . 3.78 764 625 A 66 TYR HD% A 64 GLN HA 1.0 . 5.00 765 626 A 66 TYR HD% A 74 VAL HA 1.0 . 4.65 766 627 A 75 TYR H A 75 TYR HD% 1.0 . 4.30 767 628 A 75 TYR HD% A 67 ASP HA 1.0 . 4.50 768 629 A 55 TYR HD% A 40 ALA HB% 1.0 . 4.31 769 630 A 90 PHE HD% A 90 PHE HA 1.0 . 4.13 770 631 A 55 TYR HD% A 37 LEU HBy 1.0 . 4.67 771 632 A 55 TYR HD% A 37 LEU HBx 1.0 . 4.67 772 633 A 55 TYR HD% A 52 VAL HB 1.0 . 4.72 773 634 A 55 TYR HD% A 58 GLN HG2 1.0 . 4.78 774 634 A 55 TYR HD% A 58 GLN HG3 1.0 . 4.78 775 635 A 90 PHE HD% A 89 SER H 1.0 . 4.40 776 636 A 90 PHE HD% A 92 VAL HA 1.0 . 4.80 777 637 A 59 TYR HD% A 40 ALA HA 1.0 . 4.47 778 638 A 59 TYR HD% A 63 LYS H 1.0 . 4.55 779 639 A 99 TYR HD% A 98 LEU HDy% 1.0 . 5.09 780 640 A 100 ASP H A 99 TYR HD% 1.0 . 4.58 781 641 A 47 PHE HE% A 46 MET HA 1.0 . 4.84 782 642 A 47 PHE HE% A 42 ALA HA 1.0 . 4.25 783 643 A 90 PHE HZ A 85 LEU HDy% 1.0 . 5.50 784 644 A 67 ASP H A 75 TYR HE% 1.0 . 4.76 785 645 A 75 TYR HE% A 75 TYR HA 1.0 . 4.19 786 646 A 66 TYR HE% A 61 MET HGy 1.0 . 4.68 787 646 A 66 TYR HE% A 61 MET HGx 1.0 . 4.68 788 647 A 66 TYR HE% A 71 GLN HGx 1.0 . 4.84 789 647 A 66 TYR HE% A 71 GLN HGy 1.0 . 4.84 790 648 A 55 TYR HE% A 43 GLN HBx 1.0 . 4.51 791 649 A 52 VAL HA A 55 TYR HE% 1.0 . 4.44 792 650 A 55 TYR HE% A 43 GLN HBy 1.0 . 4.51 793 651 A 55 TYR HE% A 37 LEU HG 1.0 . 4.63 794 652 A 99 TYR HE% A 99 TYR HA 1.0 . 4.85 795 653 A 41 GLY H A 38 HIS HD2 1.0 . 4.76 796 654 A 38 HIS HA A 38 HIS HD2 1.0 . 3.05 797 655 A 23 GLN HBy A 23 GLN HG2 1.0 . 2.31 798 655 A 23 GLN HBx A 23 GLN HG2 1.0 . 2.31 799 655 A 23 GLN HG3 A 23 GLN HBy 1.0 . 2.31 800 655 A 23 GLN HG3 A 23 GLN HBx 1.0 . 2.31 801 656 A 24 ILE H A 24 ILE HG1x 1.0 . 3.45 802 656 A 24 ILE H A 24 ILE HG1y 1.0 . 3.45 803 657 A 24 ILE H A 25 ASN HD21 1.0 . 4.61 804 657 A 24 ILE H A 25 ASN HD22 1.0 . 4.61 805 658 A 24 ILE HA A 24 ILE HG1x 1.0 . 3.42 806 658 A 24 ILE HA A 24 ILE HG1y 1.0 . 3.42 807 659 A 25 ASN HD21 A 24 ILE HA 1.0 . 4.00 808 659 A 25 ASN HD22 A 24 ILE HA 1.0 . 4.00 809 660 A 25 ASN HD21 A 24 ILE HG2% 1.0 . 5.34 810 660 A 25 ASN HD22 A 24 ILE HG2% 1.0 . 5.34 811 661 A 24 ILE HG2% A 46 MET HGx 1.0 . 4.57 812 661 A 24 ILE HG2% A 46 MET HGy 1.0 . 4.57 813 662 A 47 PHE HA A 24 ILE HG1x 1.0 . 4.56 814 662 A 47 PHE HA A 24 ILE HG1y 1.0 . 4.56 815 663 A 24 ILE HD1% A 47 PHE HBx 1.0 . 3.69 816 663 A 24 ILE HD1% A 47 PHE HBy 1.0 . 3.69 817 664 A 25 ASN H A 25 ASN HBy 1.0 . 3.50 818 664 A 25 ASN H A 25 ASN HBx 1.0 . 3.50 819 665 A 25 ASN HD22 A 25 ASN H 1.0 . 4.97 820 665 A 25 ASN HD21 A 25 ASN H 1.0 . 4.97 821 666 A 25 ASN HD21 A 25 ASN HA 1.0 . 2.38 822 666 A 25 ASN HD22 A 25 ASN HA 1.0 . 2.38 823 667 A 25 ASN HD21 A 25 ASN HBx 1.0 . 3.18 824 667 A 25 ASN HD22 A 25 ASN HBy 1.0 . 3.18 825 667 A 25 ASN HD21 A 25 ASN HBy 1.0 . 3.18 826 667 A 25 ASN HD22 A 25 ASN HBx 1.0 . 3.18 827 668 A 26 GLN H A 25 ASN HBy 1.0 . 3.89 828 668 A 26 GLN H A 25 ASN HBx 1.0 . 3.89 829 669 A 26 GLN HE22 A 25 ASN HBy 1.0 . 5.18 830 669 A 26 GLN HE21 A 25 ASN HBy 1.0 . 5.18 831 669 A 26 GLN HE22 A 25 ASN HBx 1.0 . 5.18 832 669 A 26 GLN HE21 A 25 ASN HBx 1.0 . 5.18 833 670 A 26 GLN H A 25 ASN HD21 1.0 . 5.09 834 670 A 26 GLN H A 25 ASN HD22 1.0 . 5.09 835 671 A 26 GLN HA A 26 GLN HGx 1.0 . 3.57 836 671 A 26 GLN HA A 26 GLN HGy 1.0 . 3.57 837 672 A 26 GLN HA A 27 VAL HGx% 1.0 . 5.24 838 672 A 26 GLN HA A 27 VAL HGy% 1.0 . 5.24 839 673 A 27 VAL H A 26 GLN HBy 1.0 . 3.33 840 673 A 27 VAL H A 26 GLN HBx 1.0 . 3.33 841 674 A 47 PHE H A 26 GLN HBy 1.0 . 3.93 842 674 A 47 PHE H A 26 GLN HBx 1.0 . 3.93 843 675 A 26 GLN HBx A 26 GLN HE22 1.0 . 4.56 844 675 A 26 GLN HBx A 26 GLN HE21 1.0 . 4.56 845 675 A 26 GLN HE21 A 26 GLN HBy 1.0 . 4.56 846 675 A 26 GLN HE22 A 26 GLN HBy 1.0 . 4.56 847 676 A 27 VAL H A 26 GLN HGx 1.0 . 3.88 848 676 A 27 VAL H A 26 GLN HGy 1.0 . 3.88 849 677 A 48 THR HA A 26 GLN HGx 1.0 . 4.13 850 677 A 48 THR HA A 26 GLN HGy 1.0 . 4.13 851 678 A 48 THR HG2% A 26 GLN HGx 1.0 . 3.44 852 678 A 48 THR HG2% A 26 GLN HGy 1.0 . 3.44 853 679 A 27 VAL HA A 26 GLN HE21 1.0 . 5.34 854 679 A 27 VAL HA A 26 GLN HE22 1.0 . 5.34 855 680 A 109 LEU HA A 26 GLN HE21 1.0 . 4.80 856 680 A 109 LEU HA A 26 GLN HE22 1.0 . 4.80 857 681 A 109 LEU HB3 A 26 GLN HE21 1.0 . 4.91 858 681 A 109 LEU HB3 A 26 GLN HE22 1.0 . 4.91 859 681 A 26 GLN HE21 A 109 LEU HB2 1.0 . 4.91 860 681 A 26 GLN HE22 A 109 LEU HB2 1.0 . 4.91 861 682 A 26 GLN HE21 A 109 LEU HDx% 1.0 . 5.27 862 682 A 26 GLN HE22 A 109 LEU HDy% 1.0 . 5.27 863 682 A 26 GLN HE22 A 109 LEU HDx% 1.0 . 5.27 864 682 A 26 GLN HE21 A 109 LEU HDy% 1.0 . 5.27 865 683 A 27 VAL H A 27 VAL HGx% 1.0 . 4.12 866 683 A 27 VAL H A 27 VAL HGy% 1.0 . 4.12 867 684 A 27 VAL HA A 28 ARG HBx 1.0 . 4.23 868 684 A 27 VAL HA A 28 ARG HBy 1.0 . 4.23 869 685 A 28 ARG H A 27 VAL HGx% 1.0 . 3.41 870 685 A 28 ARG H A 27 VAL HGy% 1.0 . 3.41 871 686 A 28 ARG HA A 27 VAL HGx% 1.0 . 5.24 872 686 A 28 ARG HA A 27 VAL HGy% 1.0 . 5.24 873 687 A 27 VAL HGx% A 28 ARG HBx 1.0 . 4.53 874 687 A 27 VAL HGy% A 28 ARG HBx 1.0 . 4.53 875 687 A 28 ARG HBy A 27 VAL HGx% 1.0 . 4.53 876 687 A 27 VAL HGy% A 28 ARG HBy 1.0 . 4.53 877 688 A 29 PRO HA A 27 VAL HGx% 1.0 . 4.70 878 688 A 29 PRO HA A 27 VAL HGy% 1.0 . 4.70 879 689 A 27 VAL HGx% A 29 PRO HDy 1.0 . 4.52 880 689 A 27 VAL HGy% A 29 PRO HDy 1.0 . 4.52 881 689 A 29 PRO HDx A 27 VAL HGx% 1.0 . 4.52 882 689 A 27 VAL HGy% A 29 PRO HDx 1.0 . 4.52 883 690 A 47 PHE H A 27 VAL HGx% 1.0 . 4.32 884 690 A 47 PHE H A 27 VAL HGy% 1.0 . 4.32 885 691 A 47 PHE HD% A 27 VAL HGx% 1.0 . 4.39 886 691 A 47 PHE HD% A 27 VAL HGy% 1.0 . 4.39 887 692 A 108 THR HB A 27 VAL HGx% 1.0 . 4.39 888 692 A 108 THR HB A 27 VAL HGy% 1.0 . 4.39 889 693 A 28 ARG H A 28 ARG HBx 1.0 . 2.95 890 693 A 28 ARG H A 28 ARG HBy 1.0 . 2.95 891 694 A 28 ARG H A 28 ARG HGy 1.0 . 4.27 892 694 A 28 ARG H A 28 ARG HGx 1.0 . 4.27 893 695 A 28 ARG H A 29 PRO HDy 1.0 . 5.34 894 695 A 28 ARG H A 29 PRO HDx 1.0 . 5.34 895 696 A 28 ARG HA A 28 ARG HGy 1.0 . 3.41 896 696 A 28 ARG HA A 28 ARG HGx 1.0 . 3.41 897 697 A 28 ARG HA A 29 PRO HDy 1.0 . 2.64 898 697 A 28 ARG HA A 29 PRO HDx 1.0 . 2.64 899 698 A 28 ARG HA A 106 LEU HDy% 1.0 . 4.62 900 698 A 28 ARG HA A 106 LEU HDx% 1.0 . 4.62 901 699 A 28 ARG HBx A 28 ARG HD2 1.0 . 3.17 902 699 A 28 ARG HBy A 28 ARG HD2 1.0 . 3.17 903 699 A 28 ARG HD3 A 28 ARG HBx 1.0 . 3.17 904 699 A 28 ARG HD3 A 28 ARG HBy 1.0 . 3.17 905 700 A 28 ARG HD2 A 34 LEU HDy% 1.0 . 4.12 906 700 A 28 ARG HD3 A 34 LEU HDy% 1.0 . 4.12 907 700 A 34 LEU HDx% A 28 ARG HD2 1.0 . 4.12 908 700 A 28 ARG HD3 A 34 LEU HDx% 1.0 . 4.12 909 701 A 29 PRO HA A 33 LEU HBx 1.0 . 4.75 910 701 A 29 PRO HA A 33 LEU HBy 1.0 . 4.75 911 702 A 29 PRO HA A 105 ASN HBy 1.0 . 4.71 912 702 A 29 PRO HA A 105 ASN HBx 1.0 . 4.71 913 703 A 29 PRO HA A 106 LEU HDy% 1.0 . 3.26 914 703 A 29 PRO HA A 106 LEU HDx% 1.0 . 3.26 915 704 A 30 LYS H A 29 PRO HB2 1.0 . 4.01 916 704 A 30 LYS H A 29 PRO HB3 1.0 . 4.01 917 705 A 29 PRO HB2 A 33 LEU HBx 1.0 . 4.16 918 705 A 29 PRO HB3 A 33 LEU HBx 1.0 . 4.16 919 705 A 33 LEU HBy A 29 PRO HB2 1.0 . 4.16 920 705 A 33 LEU HBy A 29 PRO HB3 1.0 . 4.16 921 706 A 34 LEU HA A 29 PRO HB2 1.0 . 4.73 922 706 A 34 LEU HA A 29 PRO HB3 1.0 . 4.73 923 707 A 29 PRO HB3 A 106 LEU HDy% 1.0 . 3.82 924 707 A 29 PRO HB2 A 106 LEU HDy% 1.0 . 3.82 925 707 A 106 LEU HDx% A 29 PRO HB2 1.0 . 3.82 926 707 A 106 LEU HDx% A 29 PRO HB3 1.0 . 3.82 927 708 A 34 LEU H A 29 PRO HGy 1.0 . 4.92 928 708 A 34 LEU H A 29 PRO HGx 1.0 . 4.92 929 709 A 34 LEU HA A 29 PRO HGy 1.0 . 4.03 930 709 A 34 LEU HA A 29 PRO HGx 1.0 . 4.03 931 710 A 29 PRO HGx A 34 LEU HDy% 1.0 . 4.10 932 710 A 29 PRO HGy A 34 LEU HDy% 1.0 . 4.10 933 710 A 34 LEU HDx% A 29 PRO HGy 1.0 . 4.10 934 710 A 34 LEU HDx% A 29 PRO HGx 1.0 . 4.10 935 711 A 29 PRO HGx A 37 LEU HBx 1.0 . 3.94 936 711 A 29 PRO HGy A 37 LEU HBx 1.0 . 3.94 937 711 A 37 LEU HBy A 29 PRO HGy 1.0 . 3.94 938 711 A 29 PRO HGx A 37 LEU HBy 1.0 . 3.94 939 712 A 29 PRO HGy A 37 LEU HDy% 1.0 . 3.56 940 712 A 29 PRO HGx A 37 LEU HDy% 1.0 . 3.56 941 712 A 37 LEU HDx% A 29 PRO HGy 1.0 . 3.56 942 712 A 29 PRO HGx A 37 LEU HDx% 1.0 . 3.56 943 713 A 47 PHE HE% A 29 PRO HGy 1.0 . 3.69 944 713 A 47 PHE HE% A 29 PRO HGx 1.0 . 3.69 945 714 A 47 PHE HZ A 29 PRO HGy 1.0 . 4.49 946 714 A 47 PHE HZ A 29 PRO HGx 1.0 . 4.49 947 715 A 29 PRO HGx A 106 LEU HDy% 1.0 . 4.73 948 715 A 29 PRO HGy A 106 LEU HDy% 1.0 . 4.73 949 715 A 106 LEU HDx% A 29 PRO HGy 1.0 . 4.73 950 715 A 106 LEU HDx% A 29 PRO HGx 1.0 . 4.73 951 716 A 34 LEU HA A 29 PRO HDy 1.0 . 4.75 952 716 A 34 LEU HA A 29 PRO HDx 1.0 . 4.75 953 717 A 29 PRO HDx A 34 LEU HDy% 1.0 . 4.21 954 717 A 34 LEU HDx% A 29 PRO HDy 1.0 . 4.21 955 717 A 29 PRO HDx A 34 LEU HDx% 1.0 . 4.21 956 717 A 29 PRO HDy A 34 LEU HDy% 1.0 . 4.21 957 718 A 47 PHE HE% A 29 PRO HDy 1.0 . 3.55 958 718 A 47 PHE HE% A 29 PRO HDx 1.0 . 3.55 959 719 A 47 PHE HZ A 29 PRO HDy 1.0 . 4.59 960 719 A 47 PHE HZ A 29 PRO HDx 1.0 . 4.59 961 720 A 29 PRO HDy A 106 LEU HDy% 1.0 . 4.14 962 720 A 29 PRO HDx A 106 LEU HDy% 1.0 . 4.14 963 720 A 106 LEU HDx% A 29 PRO HDy 1.0 . 4.14 964 720 A 29 PRO HDx A 106 LEU HDx% 1.0 . 4.14 965 721 A 30 LYS H A 30 LYS HBx 1.0 . 3.01 966 721 A 30 LYS H A 30 LYS HBy 1.0 . 3.01 967 722 A 30 LYS H A 30 LYS HGy 1.0 . 3.95 968 722 A 30 LYS H A 30 LYS HGx 1.0 . 3.95 969 723 A 30 LYS H A 33 LEU HDx% 1.0 . 4.56 970 723 A 30 LYS H A 33 LEU HDy% 1.0 . 4.56 971 724 A 30 LYS H A 105 ASN HBy 1.0 . 4.19 972 724 A 30 LYS H A 105 ASN HBx 1.0 . 4.19 973 725 A 30 LYS HA A 31 LEU HD1% 1.0 . 4.18 974 725 A 30 LYS HA A 31 LEU HD2% 1.0 . 4.18 975 726 A 30 LYS HA A 32 PRO HDy 1.0 . 4.32 976 726 A 30 LYS HA A 32 PRO HDx 1.0 . 4.32 977 727 A 31 LEU H A 30 LYS HBx 1.0 . 3.49 978 727 A 31 LEU H A 30 LYS HBy 1.0 . 3.49 979 728 A 30 LYS HBy A 32 PRO HDy 1.0 . 3.87 980 728 A 30 LYS HBx A 32 PRO HDy 1.0 . 3.87 981 728 A 32 PRO HDx A 30 LYS HBx 1.0 . 3.87 982 728 A 30 LYS HBy A 32 PRO HDx 1.0 . 3.87 983 729 A 30 LYS HBx A 33 LEU HDx% 1.0 . 4.40 984 729 A 30 LYS HBy A 33 LEU HDx% 1.0 . 4.40 985 729 A 33 LEU HDy% A 30 LYS HBx 1.0 . 4.40 986 729 A 30 LYS HBy A 33 LEU HDy% 1.0 . 4.40 987 730 A 105 ASN HD21 A 30 LYS HGy 1.0 . 5.26 988 730 A 30 LYS HGx A 105 ASN HD21 1.0 . 5.26 989 730 A 30 LYS HGx A 105 ASN HD22 1.0 . 5.26 990 730 A 105 ASN HD22 A 30 LYS HGy 1.0 . 5.26 991 731 A 105 ASN HD22 A 30 LYS HD2 1.0 . 4.68 992 731 A 30 LYS HD3 A 105 ASN HD21 1.0 . 4.68 993 731 A 30 LYS HD3 A 105 ASN HD22 1.0 . 4.68 994 731 A 105 ASN HD21 A 30 LYS HD2 1.0 . 4.68 995 732 A 30 LYS HE2 A 31 LEU HD1% 1.0 . 3.93 996 732 A 30 LYS HE3 A 31 LEU HD1% 1.0 . 3.93 997 732 A 31 LEU HD2% A 30 LYS HE2 1.0 . 3.93 998 732 A 30 LYS HE3 A 31 LEU HD2% 1.0 . 3.93 999 733 A 30 LYS HE2 A 32 PRO HGy 1.0 . 4.51 1000 733 A 30 LYS HE3 A 32 PRO HGy 1.0 . 4.51 1001 733 A 32 PRO HGx A 30 LYS HE2 1.0 . 4.51 1002 733 A 30 LYS HE3 A 32 PRO HGx 1.0 . 4.51 1003 734 A 31 LEU H A 31 LEU HBy 1.0 . 3.10 1004 734 A 31 LEU H A 31 LEU HBx 1.0 . 3.10 1005 735 A 31 LEU H A 31 LEU HD1% 1.0 . 3.71 1006 735 A 31 LEU H A 31 LEU HD2% 1.0 . 3.71 1007 736 A 31 LEU H A 32 PRO HDy 1.0 . 3.72 1008 736 A 31 LEU H A 32 PRO HDx 1.0 . 3.72 1009 737 A 31 LEU H A 33 LEU HDx% 1.0 . 5.44 1010 737 A 31 LEU H A 33 LEU HDy% 1.0 . 5.44 1011 738 A 31 LEU HA A 31 LEU HD1% 1.0 . 2.80 1012 738 A 31 LEU HA A 31 LEU HD2% 1.0 . 2.80 1013 739 A 31 LEU HA A 34 LEU HBx 1.0 . 3.35 1014 739 A 31 LEU HA A 34 LEU HBy 1.0 . 3.35 1015 740 A 31 LEU HBx A 32 PRO HDy 1.0 . 2.84 1016 740 A 31 LEU HBy A 32 PRO HDy 1.0 . 2.84 1017 740 A 32 PRO HDx A 31 LEU HBy 1.0 . 2.84 1018 740 A 31 LEU HBx A 32 PRO HDx 1.0 . 2.84 1019 741 A 31 LEU HD2% A 32 PRO HDy 1.0 . 3.90 1020 741 A 31 LEU HD1% A 32 PRO HDy 1.0 . 3.90 1021 741 A 32 PRO HDx A 31 LEU HD1% 1.0 . 3.90 1022 741 A 31 LEU HD2% A 32 PRO HDx 1.0 . 3.90 1023 742 A 32 PRO HA A 33 LEU HDx% 1.0 . 4.46 1024 742 A 32 PRO HA A 33 LEU HDy% 1.0 . 4.46 1025 743 A 32 PRO HA A 35 LYS HBx 1.0 . 4.27 1026 743 A 32 PRO HA A 35 LYS HBy 1.0 . 4.27 1027 744 A 33 LEU H A 32 PRO HBx 1.0 . 3.46 1028 744 A 33 LEU H A 32 PRO HBy 1.0 . 3.46 1029 745 A 33 LEU HA A 32 PRO HBx 1.0 . 4.17 1030 745 A 33 LEU HA A 32 PRO HBy 1.0 . 4.17 1031 746 A 32 PRO HBx A 33 LEU HDx% 1.0 . 3.70 1032 746 A 32 PRO HBy A 33 LEU HDx% 1.0 . 3.70 1033 746 A 33 LEU HDy% A 32 PRO HBx 1.0 . 3.70 1034 746 A 33 LEU HDy% A 32 PRO HBy 1.0 . 3.70 1035 747 A 35 LYS H A 32 PRO HBx 1.0 . 5.22 1036 747 A 35 LYS H A 32 PRO HBy 1.0 . 5.22 1037 748 A 32 PRO HBy A 80 LEU HD1% 1.0 . 3.99 1038 748 A 32 PRO HBx A 80 LEU HD1% 1.0 . 3.99 1039 748 A 80 LEU HD2% A 32 PRO HBx 1.0 . 3.99 1040 748 A 80 LEU HD2% A 32 PRO HBy 1.0 . 3.99 1041 749 A 33 LEU H A 32 PRO HGy 1.0 . 4.08 1042 749 A 33 LEU H A 32 PRO HGx 1.0 . 4.08 1043 750 A 32 PRO HGx A 33 LEU HDx% 1.0 . 4.41 1044 750 A 32 PRO HGy A 33 LEU HDx% 1.0 . 4.41 1045 750 A 33 LEU HDy% A 32 PRO HGy 1.0 . 4.41 1046 750 A 33 LEU HDy% A 32 PRO HGx 1.0 . 4.41 1047 751 A 33 LEU H A 32 PRO HDy 1.0 . 3.81 1048 751 A 33 LEU H A 32 PRO HDx 1.0 . 3.81 1049 752 A 32 PRO HDx A 33 LEU HDx% 1.0 . 4.95 1050 752 A 32 PRO HDy A 33 LEU HDx% 1.0 . 4.95 1051 752 A 33 LEU HDy% A 32 PRO HDy 1.0 . 4.95 1052 752 A 33 LEU HDy% A 32 PRO HDx 1.0 . 4.95 1053 753 A 33 LEU H A 33 LEU HBx 1.0 . 3.00 1054 753 A 33 LEU H A 33 LEU HBy 1.0 . 3.00 1055 754 A 33 LEU H A 33 LEU HDx% 1.0 . 3.87 1056 754 A 33 LEU H A 33 LEU HDy% 1.0 . 3.87 1057 755 A 33 LEU HA A 33 LEU HDx% 1.0 . 2.80 1058 755 A 33 LEU HA A 33 LEU HDy% 1.0 . 2.80 1059 756 A 33 LEU HA A 36 ILE HG1x 1.0 . 4.67 1060 756 A 33 LEU HA A 36 ILE HG1y 1.0 . 4.67 1061 757 A 33 LEU HBy A 33 LEU HDx% 1.0 . 2.86 1062 757 A 33 LEU HBx A 33 LEU HDx% 1.0 . 2.86 1063 757 A 33 LEU HDy% A 33 LEU HBx 1.0 . 2.86 1064 757 A 33 LEU HBy A 33 LEU HDy% 1.0 . 2.86 1065 758 A 34 LEU H A 33 LEU HBx 1.0 . 3.58 1066 758 A 34 LEU H A 33 LEU HBy 1.0 . 3.58 1067 759 A 33 LEU HBx A 105 ASN HBy 1.0 . 3.77 1068 759 A 33 LEU HBy A 105 ASN HBy 1.0 . 3.77 1069 759 A 105 ASN HBx A 33 LEU HBx 1.0 . 3.77 1070 759 A 33 LEU HBy A 105 ASN HBx 1.0 . 3.77 1071 760 A 34 LEU H A 33 LEU HDx% 1.0 . 4.64 1072 760 A 34 LEU H A 33 LEU HDy% 1.0 . 4.64 1073 761 A 33 LEU HDy% A 37 LEU HDy% 1.0 . 5.37 1074 761 A 33 LEU HDx% A 37 LEU HDy% 1.0 . 5.37 1075 761 A 37 LEU HDx% A 33 LEU HDx% 1.0 . 5.37 1076 761 A 37 LEU HDx% A 33 LEU HDy% 1.0 . 5.37 1077 762 A 105 ASN H A 33 LEU HDx% 1.0 . 4.57 1078 762 A 105 ASN H A 33 LEU HDy% 1.0 . 4.57 1079 763 A 105 ASN HA A 33 LEU HDx% 1.0 . 4.10 1080 763 A 105 ASN HA A 33 LEU HDy% 1.0 . 4.10 1081 764 A 33 LEU HDy% A 105 ASN HBy 1.0 . 3.44 1082 764 A 33 LEU HDx% A 105 ASN HBy 1.0 . 3.44 1083 764 A 105 ASN HBx A 33 LEU HDx% 1.0 . 3.44 1084 764 A 105 ASN HBx A 33 LEU HDy% 1.0 . 3.44 1085 765 A 34 LEU H A 34 LEU HDy% 1.0 . 4.05 1086 765 A 34 LEU H A 34 LEU HDx% 1.0 . 4.05 1087 766 A 34 LEU H A 37 LEU HDy% 1.0 . 5.10 1088 766 A 34 LEU H A 37 LEU HDx% 1.0 . 5.10 1089 767 A 34 LEU HA A 34 LEU HDy% 1.0 . 3.01 1090 767 A 34 LEU HA A 34 LEU HDx% 1.0 . 3.01 1091 768 A 34 LEU HA A 37 LEU HBx 1.0 . 3.87 1092 768 A 34 LEU HA A 37 LEU HBy 1.0 . 3.87 1093 769 A 34 LEU HA A 37 LEU HDy% 1.0 . 3.81 1094 769 A 34 LEU HA A 37 LEU HDx% 1.0 . 3.81 1095 770 A 35 LYS H A 34 LEU HBx 1.0 . 3.42 1096 770 A 35 LYS H A 34 LEU HBy 1.0 . 3.42 1097 771 A 34 LEU HBy A 37 LEU HDy% 1.0 . 4.05 1098 771 A 34 LEU HBx A 37 LEU HDy% 1.0 . 4.05 1099 771 A 37 LEU HDx% A 34 LEU HBx 1.0 . 4.05 1100 771 A 37 LEU HDx% A 34 LEU HBy 1.0 . 4.05 1101 772 A 35 LYS H A 34 LEU HDy% 1.0 . 3.43 1102 772 A 35 LYS H A 34 LEU HDx% 1.0 . 3.43 1103 773 A 35 LYS HA A 34 LEU HDy% 1.0 . 4.46 1104 773 A 35 LYS HA A 34 LEU HDx% 1.0 . 4.46 1105 774 A 34 LEU HDy% A 35 LYS HBx 1.0 . 4.30 1106 774 A 34 LEU HDx% A 35 LYS HBx 1.0 . 4.30 1107 774 A 35 LYS HBy A 34 LEU HDy% 1.0 . 4.30 1108 774 A 34 LEU HDx% A 35 LYS HBy 1.0 . 4.30 1109 775 A 34 LEU HDx% A 35 LYS HD2 1.0 . 3.91 1110 775 A 34 LEU HDy% A 35 LYS HD2 1.0 . 3.91 1111 775 A 35 LYS HD3 A 34 LEU HDy% 1.0 . 3.91 1112 775 A 35 LYS HD3 A 34 LEU HDx% 1.0 . 3.91 1113 776 A 34 LEU HDy% A 35 LYS HE2 1.0 . 4.17 1114 776 A 34 LEU HDx% A 35 LYS HE2 1.0 . 4.17 1115 776 A 35 LYS HE3 A 34 LEU HDy% 1.0 . 4.17 1116 776 A 35 LYS HE3 A 34 LEU HDx% 1.0 . 4.17 1117 777 A 36 ILE H A 34 LEU HDy% 1.0 . 4.73 1118 777 A 36 ILE H A 34 LEU HDx% 1.0 . 4.73 1119 778 A 37 LEU H A 34 LEU HDy% 1.0 . 4.80 1120 778 A 37 LEU H A 34 LEU HDx% 1.0 . 4.80 1121 779 A 34 LEU HDy% A 37 LEU HBx 1.0 . 4.41 1122 779 A 37 LEU HBy A 34 LEU HDy% 1.0 . 4.41 1123 779 A 34 LEU HDx% A 37 LEU HBy 1.0 . 4.41 1124 779 A 34 LEU HDx% A 37 LEU HBx 1.0 . 4.41 1125 780 A 34 LEU HDy% A 37 LEU HDy% 1.0 . 4.01 1126 780 A 34 LEU HDx% A 37 LEU HDy% 1.0 . 4.01 1127 780 A 37 LEU HDx% A 34 LEU HDy% 1.0 . 4.01 1128 780 A 34 LEU HDx% A 37 LEU HDx% 1.0 . 4.01 1129 781 A 38 HIS H A 34 LEU HDy% 1.0 . 4.93 1130 781 A 38 HIS H A 34 LEU HDx% 1.0 . 4.93 1131 782 A 38 HIS HD2 A 34 LEU HDy% 1.0 . 4.20 1132 782 A 38 HIS HD2 A 34 LEU HDx% 1.0 . 4.20 1133 783 A 38 HIS HE1 A 34 LEU HDy% 1.0 . 3.43 1134 783 A 34 LEU HDx% A 38 HIS HE1 1.0 . 3.43 1135 784 A 39 ALA H A 34 LEU HDy% 1.0 . 5.44 1136 784 A 39 ALA H A 34 LEU HDx% 1.0 . 5.44 1137 785 A 45 GLU HA A 34 LEU HDy% 1.0 . 3.31 1138 785 A 45 GLU HA A 34 LEU HDx% 1.0 . 3.31 1139 786 A 34 LEU HDy% A 45 GLU HBx 1.0 . 3.93 1140 786 A 34 LEU HDx% A 45 GLU HBx 1.0 . 3.93 1141 786 A 45 GLU HBy A 34 LEU HDy% 1.0 . 3.93 1142 786 A 34 LEU HDx% A 45 GLU HBy 1.0 . 3.93 1143 787 A 34 LEU HDx% A 45 GLU HGx 1.0 . 4.03 1144 787 A 45 GLU HGy A 34 LEU HDy% 1.0 . 4.03 1145 787 A 34 LEU HDx% A 45 GLU HGy 1.0 . 4.03 1146 787 A 34 LEU HDy% A 45 GLU HGx 1.0 . 4.03 1147 788 A 47 PHE HE% A 34 LEU HDy% 1.0 . 3.35 1148 788 A 47 PHE HE% A 34 LEU HDx% 1.0 . 3.35 1149 789 A 47 PHE HZ A 34 LEU HDy% 1.0 . 4.29 1150 789 A 47 PHE HZ A 34 LEU HDx% 1.0 . 4.29 1151 790 A 35 LYS H A 35 LYS HBx 1.0 . 2.78 1152 790 A 35 LYS H A 35 LYS HBy 1.0 . 2.78 1153 791 A 35 LYS H A 36 ILE HG1x 1.0 . 5.34 1154 791 A 35 LYS H A 36 ILE HG1y 1.0 . 5.34 1155 792 A 35 LYS HA A 35 LYS HBx 1.0 . 2.58 1156 792 A 35 LYS HA A 35 LYS HBy 1.0 . 2.58 1157 793 A 36 ILE H A 35 LYS HBx 1.0 . 3.71 1158 793 A 36 ILE H A 35 LYS HBy 1.0 . 3.71 1159 794 A 35 LYS HBy A 80 LEU HD1% 1.0 . 2.84 1160 794 A 35 LYS HBx A 80 LEU HD1% 1.0 . 2.84 1161 794 A 80 LEU HD2% A 35 LYS HBx 1.0 . 2.84 1162 794 A 80 LEU HD2% A 35 LYS HBy 1.0 . 2.84 1163 795 A 36 ILE H A 36 ILE HG1x 1.0 . 3.14 1164 795 A 36 ILE H A 36 ILE HG1y 1.0 . 3.14 1165 796 A 36 ILE HA A 36 ILE HG1x 1.0 . 3.01 1166 796 A 36 ILE HA A 36 ILE HG1y 1.0 . 3.01 1167 797 A 36 ILE HG2% A 36 ILE HG1x 1.0 . 3.12 1168 797 A 36 ILE HG2% A 36 ILE HG1y 1.0 . 3.12 1169 798 A 36 ILE HG2% A 37 LEU HDy% 1.0 . 3.89 1170 798 A 36 ILE HG2% A 37 LEU HDx% 1.0 . 3.89 1171 799 A 36 ILE HG2% A 59 TYR HBx 1.0 . 4.38 1172 799 A 36 ILE HG2% A 59 TYR HBy 1.0 . 4.38 1173 800 A 36 ILE HG2% A 81 LEU HDy% 1.0 . 3.85 1174 800 A 36 ILE HG2% A 81 LEU HDx% 1.0 . 3.85 1175 801 A 36 ILE HG2% A 84 LEU HDy% 1.0 . 4.18 1176 801 A 36 ILE HG2% A 84 LEU HDx% 1.0 . 4.18 1177 802 A 37 LEU H A 36 ILE HG1x 1.0 . 4.91 1178 802 A 37 LEU H A 36 ILE HG1y 1.0 . 4.91 1179 803 A 39 ALA HB% A 36 ILE HG1x 1.0 . 4.83 1180 803 A 39 ALA HB% A 36 ILE HG1y 1.0 . 4.83 1181 804 A 36 ILE HD1% A 83 GLU HGx 1.0 . 5.01 1182 804 A 36 ILE HD1% A 83 GLU HGy 1.0 . 5.01 1183 805 A 36 ILE HD1% A 84 LEU HBx 1.0 . 3.50 1184 805 A 36 ILE HD1% A 84 LEU HBy 1.0 . 3.50 1185 806 A 36 ILE HD1% A 84 LEU HDy% 1.0 . 3.81 1186 806 A 36 ILE HD1% A 84 LEU HDx% 1.0 . 3.81 1187 807 A 37 LEU H A 37 LEU HBx 1.0 . 3.24 1188 807 A 37 LEU H A 37 LEU HBy 1.0 . 3.24 1189 808 A 37 LEU HA A 37 LEU HDy% 1.0 . 3.09 1190 808 A 37 LEU HA A 37 LEU HDx% 1.0 . 3.09 1191 809 A 37 LEU HA A 55 TYR HBx 1.0 . 3.53 1192 809 A 37 LEU HA A 55 TYR HBy 1.0 . 3.53 1193 810 A 38 HIS H A 37 LEU HBx 1.0 . 3.42 1194 810 A 38 HIS H A 37 LEU HBy 1.0 . 3.42 1195 811 A 38 HIS HD2 A 37 LEU HBx 1.0 . 4.56 1196 811 A 38 HIS HD2 A 37 LEU HBy 1.0 . 4.56 1197 812 A 42 ALA H A 37 LEU HBx 1.0 . 5.22 1198 812 A 42 ALA H A 37 LEU HBy 1.0 . 5.22 1199 813 A 55 TYR HD% A 37 LEU HBx 1.0 . 4.04 1200 813 A 55 TYR HD% A 37 LEU HBy 1.0 . 4.04 1201 814 A 55 TYR HE% A 37 LEU HBx 1.0 . 4.44 1202 814 A 55 TYR HE% A 37 LEU HBy 1.0 . 4.44 1203 815 A 38 HIS H A 37 LEU HDy% 1.0 . 4.44 1204 815 A 38 HIS H A 37 LEU HDx% 1.0 . 4.44 1205 816 A 40 ALA H A 37 LEU HDy% 1.0 . 5.44 1206 816 A 40 ALA H A 37 LEU HDx% 1.0 . 5.44 1207 817 A 40 ALA HB% A 37 LEU HDy% 1.0 . 5.20 1208 817 A 40 ALA HB% A 37 LEU HDx% 1.0 . 5.20 1209 818 A 52 VAL HA A 37 LEU HDy% 1.0 . 3.48 1210 818 A 52 VAL HA A 37 LEU HDx% 1.0 . 3.48 1211 819 A 37 LEU HDy% A 52 VAL HGx% 1.0 . 3.13 1212 819 A 37 LEU HDx% A 52 VAL HGx% 1.0 . 3.13 1213 819 A 52 VAL HGy% A 37 LEU HDy% 1.0 . 3.13 1214 819 A 37 LEU HDx% A 52 VAL HGy% 1.0 . 3.13 1215 820 A 55 TYR H A 37 LEU HDy% 1.0 . 4.82 1216 820 A 55 TYR H A 37 LEU HDx% 1.0 . 4.82 1217 821 A 55 TYR HA A 37 LEU HDy% 1.0 . 4.83 1218 821 A 55 TYR HA A 37 LEU HDx% 1.0 . 4.83 1219 822 A 37 LEU HDx% A 55 TYR HBx 1.0 . 2.97 1220 822 A 37 LEU HDy% A 55 TYR HBx 1.0 . 2.97 1221 822 A 55 TYR HBy A 37 LEU HDy% 1.0 . 2.97 1222 822 A 37 LEU HDx% A 55 TYR HBy 1.0 . 2.97 1223 823 A 55 TYR HD% A 37 LEU HDy% 1.0 . 4.04 1224 823 A 55 TYR HD% A 37 LEU HDx% 1.0 . 4.04 1225 824 A 56 LEU H A 37 LEU HDy% 1.0 . 3.72 1226 824 A 56 LEU H A 37 LEU HDx% 1.0 . 3.72 1227 825 A 40 ALA H A 59 TYR HBx 1.0 . 4.78 1228 825 A 40 ALA H A 59 TYR HBy 1.0 . 4.78 1229 826 A 40 ALA HA A 58 GLN HE21 1.0 . 5.21 1230 826 A 58 GLN HE22 A 40 ALA HA 1.0 . 5.21 1231 827 A 40 ALA HA A 62 VAL HGx% 1.0 . 3.83 1232 827 A 40 ALA HA A 62 VAL HGy% 1.0 . 3.83 1233 828 A 40 ALA HB% A 55 TYR HBx 1.0 . 3.61 1234 828 A 40 ALA HB% A 55 TYR HBy 1.0 . 3.61 1235 829 A 40 ALA HB% A 58 GLN HE21 1.0 . 4.20 1236 829 A 40 ALA HB% A 58 GLN HE22 1.0 . 4.20 1237 830 A 40 ALA HB% A 59 TYR HBx 1.0 . 3.26 1238 830 A 40 ALA HB% A 59 TYR HBy 1.0 . 3.26 1239 831 A 40 ALA HB% A 62 VAL HGx% 1.0 . 4.43 1240 831 A 40 ALA HB% A 62 VAL HGy% 1.0 . 4.43 1241 832 A 41 GLY H A 58 GLN HE21 1.0 . 4.16 1242 832 A 41 GLY H A 58 GLN HE22 1.0 . 4.16 1243 833 A 58 GLN HE22 A 41 GLY HAy 1.0 . 4.65 1244 833 A 58 GLN HE21 A 41 GLY HAx 1.0 . 4.65 1245 833 A 58 GLN HE22 A 41 GLY HAx 1.0 . 4.65 1246 833 A 58 GLN HE21 A 41 GLY HAy 1.0 . 4.65 1247 834 A 42 ALA H A 55 TYR HBx 1.0 . 5.33 1248 834 A 42 ALA H A 55 TYR HBy 1.0 . 5.33 1249 835 A 42 ALA H A 58 GLN HE21 1.0 . 4.77 1250 835 A 42 ALA H A 58 GLN HE22 1.0 . 4.77 1251 836 A 42 ALA HA A 43 GLN HBy 1.0 . 5.34 1252 836 A 42 ALA HA A 43 GLN HBx 1.0 . 5.34 1253 837 A 42 ALA HB% A 43 GLN HBy 1.0 . 5.12 1254 837 A 42 ALA HB% A 43 GLN HBx 1.0 . 5.12 1255 838 A 42 ALA HB% A 55 TYR HBx 1.0 . 4.35 1256 838 A 42 ALA HB% A 55 TYR HBy 1.0 . 4.35 1257 839 A 43 GLN H A 43 GLN HBy 1.0 . 3.23 1258 839 A 43 GLN H A 43 GLN HBx 1.0 . 3.23 1259 840 A 43 GLN H A 43 GLN HGx 1.0 . 4.36 1260 840 A 43 GLN H A 43 GLN HGy 1.0 . 4.36 1261 841 A 43 GLN HA A 44 GLY HAx 1.0 . 4.26 1262 841 A 43 GLN HA A 44 GLY HAy 1.0 . 4.26 1263 842 A 43 GLN HBx A 43 GLN HE22 1.0 . 4.10 1264 842 A 43 GLN HBy A 43 GLN HE22 1.0 . 4.10 1265 842 A 43 GLN HE21 A 43 GLN HBy 1.0 . 4.10 1266 842 A 43 GLN HBx A 43 GLN HE21 1.0 . 4.10 1267 843 A 44 GLY H A 43 GLN HBy 1.0 . 4.04 1268 843 A 44 GLY H A 43 GLN HBx 1.0 . 4.04 1269 844 A 47 PHE HD% A 43 GLN HBy 1.0 . 4.24 1270 844 A 47 PHE HD% A 43 GLN HBx 1.0 . 4.24 1271 845 A 45 GLU H A 44 GLY HAx 1.0 . 3.09 1272 845 A 45 GLU H A 44 GLY HAy 1.0 . 3.09 1273 846 A 44 GLY HAy A 45 GLU HGx 1.0 . 3.98 1274 846 A 44 GLY HAx A 45 GLU HGx 1.0 . 3.98 1275 846 A 45 GLU HGy A 44 GLY HAx 1.0 . 3.98 1276 846 A 45 GLU HGy A 44 GLY HAy 1.0 . 3.98 1277 847 A 45 GLU H A 45 GLU HBx 1.0 . 3.52 1278 847 A 45 GLU H A 45 GLU HBy 1.0 . 3.52 1279 848 A 45 GLU H A 45 GLU HGx 1.0 . 4.41 1280 848 A 45 GLU H A 45 GLU HGy 1.0 . 4.41 1281 849 A 46 MET H A 45 GLU HBx 1.0 . 4.20 1282 849 A 46 MET H A 45 GLU HBy 1.0 . 4.20 1283 850 A 45 GLU HBx A 46 MET HB2 1.0 . 5.20 1284 850 A 45 GLU HBy A 46 MET HB2 1.0 . 5.20 1285 850 A 46 MET HB3 A 45 GLU HBx 1.0 . 5.20 1286 850 A 46 MET HB3 A 45 GLU HBy 1.0 . 5.20 1287 851 A 46 MET H A 45 GLU HGx 1.0 . 4.51 1288 851 A 46 MET H A 45 GLU HGy 1.0 . 4.51 1289 852 A 46 MET H A 46 MET HGx 1.0 . 4.03 1290 852 A 46 MET H A 46 MET HGy 1.0 . 4.03 1291 853 A 46 MET HA A 46 MET HGx 1.0 . 3.20 1292 853 A 46 MET HA A 46 MET HGy 1.0 . 3.20 1293 854 A 47 PHE H A 47 PHE HBx 1.0 . 3.56 1294 854 A 47 PHE H A 47 PHE HBy 1.0 . 3.56 1295 855 A 47 PHE H A 52 VAL HGx% 1.0 . 4.16 1296 855 A 47 PHE H A 52 VAL HGy% 1.0 . 4.16 1297 856 A 47 PHE HA A 51 GLU HBx 1.0 . 4.48 1298 856 A 47 PHE HA A 51 GLU HBy 1.0 . 4.48 1299 857 A 48 THR H A 47 PHE HBx 1.0 . 3.34 1300 857 A 48 THR H A 47 PHE HBy 1.0 . 3.34 1301 858 A 51 GLU H A 47 PHE HBx 1.0 . 5.09 1302 858 A 51 GLU H A 47 PHE HBy 1.0 . 5.09 1303 859 A 47 PHE HBy A 51 GLU HBx 1.0 . 3.51 1304 859 A 51 GLU HBy A 47 PHE HBx 1.0 . 3.51 1305 859 A 47 PHE HBy A 51 GLU HBy 1.0 . 3.51 1306 859 A 47 PHE HBx A 51 GLU HBx 1.0 . 3.51 1307 860 A 52 VAL H A 47 PHE HBx 1.0 . 4.63 1308 860 A 52 VAL H A 47 PHE HBy 1.0 . 4.63 1309 861 A 47 PHE HBy A 52 VAL HGx% 1.0 . 3.88 1310 861 A 47 PHE HBx A 52 VAL HGx% 1.0 . 3.88 1311 861 A 52 VAL HGy% A 47 PHE HBx 1.0 . 3.88 1312 861 A 47 PHE HBy A 52 VAL HGy% 1.0 . 3.88 1313 862 A 55 TYR HE% A 47 PHE HBx 1.0 . 4.38 1314 862 A 55 TYR HE% A 47 PHE HBy 1.0 . 4.38 1315 863 A 47 PHE HD% A 51 GLU HBx 1.0 . 4.43 1316 863 A 47 PHE HD% A 51 GLU HBy 1.0 . 4.43 1317 864 A 47 PHE HD% A 52 VAL HGx% 1.0 . 3.64 1318 864 A 47 PHE HD% A 52 VAL HGy% 1.0 . 3.64 1319 865 A 47 PHE HE% A 52 VAL HGx% 1.0 . 4.43 1320 865 A 47 PHE HE% A 52 VAL HGy% 1.0 . 4.43 1321 866 A 48 THR H A 51 GLU HBx 1.0 . 3.38 1322 866 A 48 THR H A 51 GLU HBy 1.0 . 3.38 1323 867 A 48 THR H A 51 GLU HGx 1.0 . 4.64 1324 867 A 48 THR H A 51 GLU HGy 1.0 . 4.64 1325 868 A 48 THR H A 52 VAL HGx% 1.0 . 4.53 1326 868 A 48 THR H A 52 VAL HGy% 1.0 . 4.53 1327 869 A 48 THR HA A 49 VAL HGx% 1.0 . 4.25 1328 869 A 48 THR HA A 49 VAL HGy% 1.0 . 4.25 1329 870 A 48 THR HB A 49 VAL HGx% 1.0 . 4.56 1330 870 A 48 THR HB A 49 VAL HGy% 1.0 . 4.56 1331 871 A 48 THR HB A 50 LYS HDy 1.0 . 4.03 1332 871 A 48 THR HB A 50 LYS HDx 1.0 . 4.03 1333 872 A 48 THR HB A 50 LYS HEy 1.0 . 3.44 1334 872 A 48 THR HB A 50 LYS HEx 1.0 . 3.44 1335 873 A 48 THR HB A 51 GLU HBx 1.0 . 4.72 1336 873 A 48 THR HB A 51 GLU HBy 1.0 . 4.72 1337 874 A 48 THR HG2% A 50 LYS HEy 1.0 . 3.57 1338 874 A 48 THR HG2% A 50 LYS HEx 1.0 . 3.57 1339 875 A 48 THR HG2% A 51 GLU HBx 1.0 . 5.05 1340 875 A 48 THR HG2% A 51 GLU HBy 1.0 . 5.05 1341 876 A 49 VAL H A 49 VAL HGx% 1.0 . 2.92 1342 876 A 49 VAL H A 49 VAL HGy% 1.0 . 2.92 1343 877 A 49 VAL H A 50 LYS HBx 1.0 . 4.63 1344 877 A 49 VAL H A 50 LYS HBy 1.0 . 4.63 1345 878 A 49 VAL H A 52 VAL HGx% 1.0 . 3.69 1346 878 A 49 VAL H A 52 VAL HGy% 1.0 . 3.69 1347 879 A 49 VAL HA A 49 VAL HGx% 1.0 . 2.82 1348 879 A 49 VAL HA A 49 VAL HGy% 1.0 . 2.82 1349 880 A 49 VAL HA A 52 VAL HGx% 1.0 . 3.14 1350 880 A 49 VAL HA A 52 VAL HGy% 1.0 . 3.14 1351 881 A 50 LYS H A 49 VAL HGx% 1.0 . 3.55 1352 881 A 50 LYS H A 49 VAL HGy% 1.0 . 3.55 1353 882 A 50 LYS HA A 49 VAL HGx% 1.0 . 4.20 1354 882 A 50 LYS HA A 49 VAL HGy% 1.0 . 4.20 1355 883 A 49 VAL HGx% A 50 LYS HBx 1.0 . 4.07 1356 883 A 49 VAL HGy% A 50 LYS HBx 1.0 . 4.07 1357 883 A 50 LYS HBy A 49 VAL HGx% 1.0 . 4.07 1358 883 A 49 VAL HGy% A 50 LYS HBy 1.0 . 4.07 1359 884 A 49 VAL HGx% A 53 MET HBx 1.0 . 4.91 1360 884 A 53 MET HBy A 49 VAL HGx% 1.0 . 4.91 1361 884 A 49 VAL HGy% A 53 MET HBy 1.0 . 4.91 1362 884 A 49 VAL HGy% A 53 MET HBx 1.0 . 4.91 1363 885 A 99 TYR HD% A 49 VAL HGx% 1.0 . 4.62 1364 885 A 99 TYR HD% A 49 VAL HGy% 1.0 . 4.62 1365 886 A 99 TYR HE% A 49 VAL HGx% 1.0 . 3.87 1366 886 A 99 TYR HE% A 49 VAL HGy% 1.0 . 3.87 1367 887 A 108 THR HG2% A 49 VAL HGx% 1.0 . 3.91 1368 887 A 108 THR HG2% A 49 VAL HGy% 1.0 . 3.91 1369 888 A 50 LYS H A 50 LYS HBx 1.0 . 2.77 1370 888 A 50 LYS H A 50 LYS HBy 1.0 . 2.77 1371 889 A 50 LYS H A 50 LYS HGy 1.0 . 4.06 1372 889 A 50 LYS H A 50 LYS HGx 1.0 . 4.06 1373 890 A 50 LYS H A 50 LYS HDy 1.0 . 5.34 1374 890 A 50 LYS H A 50 LYS HDx 1.0 . 5.34 1375 891 A 50 LYS H A 51 GLU HBx 1.0 . 5.29 1376 891 A 50 LYS H A 51 GLU HBy 1.0 . 5.29 1377 892 A 50 LYS H A 52 VAL HGx% 1.0 . 4.59 1378 892 A 50 LYS H A 52 VAL HGy% 1.0 . 4.59 1379 893 A 50 LYS HA A 50 LYS HBx 1.0 . 2.47 1380 893 A 50 LYS HA A 50 LYS HBy 1.0 . 2.47 1381 894 A 50 LYS HA A 52 VAL HGx% 1.0 . 4.34 1382 894 A 50 LYS HA A 52 VAL HGy% 1.0 . 4.34 1383 895 A 50 LYS HA A 53 MET HBx 1.0 . 4.34 1384 895 A 50 LYS HA A 53 MET HBy 1.0 . 4.34 1385 896 A 51 GLU H A 50 LYS HBx 1.0 . 3.72 1386 896 A 51 GLU H A 50 LYS HBy 1.0 . 3.72 1387 897 A 50 LYS HDx A 50 LYS HGy 1.0 . 2.35 1388 897 A 50 LYS HGx A 50 LYS HDy 1.0 . 2.35 1389 897 A 50 LYS HDx A 50 LYS HGx 1.0 . 2.35 1390 897 A 50 LYS HDy A 50 LYS HGy 1.0 . 2.35 1391 898 A 50 LYS HEx A 50 LYS HGy 1.0 . 3.15 1392 898 A 50 LYS HEy A 50 LYS HGy 1.0 . 3.15 1393 898 A 50 LYS HGx A 50 LYS HEy 1.0 . 3.15 1394 898 A 50 LYS HEx A 50 LYS HGx 1.0 . 3.15 1395 899 A 51 GLU H A 50 LYS HGy 1.0 . 4.57 1396 899 A 51 GLU H A 50 LYS HGx 1.0 . 4.57 1397 900 A 50 LYS HDy A 51 GLU HGx 1.0 . 4.85 1398 900 A 50 LYS HDx A 51 GLU HGx 1.0 . 4.85 1399 900 A 51 GLU HGy A 50 LYS HDy 1.0 . 4.85 1400 900 A 51 GLU HGy A 50 LYS HDx 1.0 . 4.85 1401 901 A 51 GLU H A 51 GLU HBx 1.0 . 3.16 1402 901 A 51 GLU H A 51 GLU HBy 1.0 . 3.16 1403 902 A 51 GLU H A 51 GLU HGx 1.0 . 3.31 1404 902 A 51 GLU H A 51 GLU HGy 1.0 . 3.31 1405 903 A 51 GLU H A 52 VAL HGx% 1.0 . 3.85 1406 903 A 51 GLU H A 52 VAL HGy% 1.0 . 3.85 1407 904 A 51 GLU HA A 51 GLU HGx 1.0 . 3.40 1408 904 A 51 GLU HA A 51 GLU HGy 1.0 . 3.40 1409 905 A 51 GLU HA A 54 HIS HBx 1.0 . 3.13 1410 905 A 51 GLU HA A 54 HIS HBy 1.0 . 3.13 1411 906 A 52 VAL H A 51 GLU HBx 1.0 . 4.08 1412 906 A 52 VAL H A 51 GLU HBy 1.0 . 4.08 1413 907 A 52 VAL HA A 51 GLU HBx 1.0 . 4.65 1414 907 A 52 VAL HA A 51 GLU HBy 1.0 . 4.65 1415 908 A 55 TYR HE% A 51 GLU HGx 1.0 . 4.90 1416 908 A 55 TYR HE% A 51 GLU HGy 1.0 . 4.90 1417 909 A 52 VAL HA A 52 VAL HGx% 1.0 . 2.82 1418 909 A 52 VAL HA A 52 VAL HGy% 1.0 . 2.82 1419 910 A 52 VAL HA A 55 TYR HBx 1.0 . 4.58 1420 910 A 52 VAL HA A 55 TYR HBy 1.0 . 4.58 1421 911 A 53 MET H A 52 VAL HGx% 1.0 . 3.13 1422 911 A 53 MET H A 52 VAL HGy% 1.0 . 3.13 1423 912 A 52 VAL HGx% A 53 MET HBx 1.0 . 3.68 1424 912 A 52 VAL HGy% A 53 MET HBx 1.0 . 3.68 1425 912 A 53 MET HBy A 52 VAL HGx% 1.0 . 3.68 1426 912 A 52 VAL HGy% A 53 MET HBy 1.0 . 3.68 1427 913 A 54 HIS H A 52 VAL HGx% 1.0 . 5.44 1428 913 A 54 HIS H A 52 VAL HGy% 1.0 . 5.44 1429 914 A 55 TYR H A 52 VAL HGx% 1.0 . 5.44 1430 914 A 55 TYR H A 52 VAL HGy% 1.0 . 5.44 1431 915 A 55 TYR HD% A 52 VAL HGx% 1.0 . 4.40 1432 915 A 55 TYR HD% A 52 VAL HGy% 1.0 . 4.40 1433 916 A 52 VAL HGx% A 102 LEU HDx% 1.0 . 3.34 1434 916 A 52 VAL HGy% A 102 LEU HDx% 1.0 . 3.34 1435 916 A 102 LEU HDy% A 52 VAL HGx% 1.0 . 3.34 1436 916 A 102 LEU HDy% A 52 VAL HGy% 1.0 . 3.34 1437 917 A 53 MET H A 53 MET HBx 1.0 . 3.20 1438 917 A 53 MET H A 53 MET HBy 1.0 . 3.20 1439 918 A 53 MET H A 53 MET HGx 1.0 . 3.30 1440 918 A 53 MET H A 53 MET HGy 1.0 . 3.30 1441 919 A 53 MET H A 102 LEU HDx% 1.0 . 3.85 1442 919 A 53 MET H A 102 LEU HDy% 1.0 . 3.85 1443 920 A 53 MET HA A 56 LEU HBx 1.0 . 3.89 1444 920 A 53 MET HA A 56 LEU HBy 1.0 . 3.89 1445 921 A 53 MET HE% A 53 MET HBx 1.0 . 3.32 1446 921 A 53 MET HE% A 53 MET HBy 1.0 . 3.32 1447 922 A 101 MET HE% A 53 MET HBx 1.0 . 4.33 1448 922 A 101 MET HE% A 53 MET HBy 1.0 . 4.33 1449 923 A 53 MET HBx A 102 LEU HDx% 1.0 . 4.34 1450 923 A 53 MET HBy A 102 LEU HDx% 1.0 . 4.34 1451 923 A 102 LEU HDy% A 53 MET HBx 1.0 . 4.34 1452 923 A 102 LEU HDy% A 53 MET HBy 1.0 . 4.34 1453 924 A 54 HIS H A 53 MET HGx 1.0 . 3.87 1454 924 A 54 HIS H A 53 MET HGy 1.0 . 3.87 1455 925 A 54 HIS HA A 53 MET HGx 1.0 . 4.63 1456 925 A 53 MET HGy A 54 HIS HA 1.0 . 4.63 1457 926 A 55 TYR H A 53 MET HGx 1.0 . 5.26 1458 926 A 55 TYR H A 53 MET HGy 1.0 . 5.26 1459 927 A 53 MET HE% A 98 LEU HDy% 1.0 . 3.28 1460 927 A 53 MET HE% A 98 LEU HDx% 1.0 . 3.28 1461 928 A 54 HIS H A 54 HIS HBx 1.0 . 3.11 1462 928 A 54 HIS H A 54 HIS HBy 1.0 . 3.11 1463 929 A 55 TYR H A 54 HIS HBx 1.0 . 3.36 1464 929 A 55 TYR H A 54 HIS HBy 1.0 . 3.36 1465 930 A 55 TYR HE% A 54 HIS HBx 1.0 . 4.61 1466 930 A 55 TYR HE% A 54 HIS HBy 1.0 . 4.61 1467 931 A 55 TYR H A 55 TYR HBx 1.0 . 3.30 1468 931 A 55 TYR H A 55 TYR HBy 1.0 . 3.30 1469 932 A 58 GLN HE22 A 55 TYR HBy 1.0 . 4.70 1470 932 A 58 GLN HE21 A 55 TYR HBx 1.0 . 4.70 1471 932 A 58 GLN HE21 A 55 TYR HBy 1.0 . 4.70 1472 932 A 58 GLN HE22 A 55 TYR HBx 1.0 . 4.70 1473 933 A 55 TYR HD% A 58 GLN HE21 1.0 . 3.79 1474 933 A 55 TYR HD% A 58 GLN HE22 1.0 . 3.79 1475 934 A 56 LEU H A 56 LEU HBx 1.0 . 3.63 1476 934 A 56 LEU H A 56 LEU HBy 1.0 . 3.63 1477 935 A 56 LEU H A 56 LEU HDy% 1.0 . 3.40 1478 935 A 56 LEU H A 56 LEU HDx% 1.0 . 3.40 1479 936 A 56 LEU H A 57 GLY HAx 1.0 . 4.97 1480 936 A 56 LEU H A 57 GLY HAy 1.0 . 4.97 1481 937 A 56 LEU HA A 56 LEU HDy% 1.0 . 2.94 1482 937 A 56 LEU HDx% A 56 LEU HA 1.0 . 2.94 1483 938 A 56 LEU HBx A 56 LEU HDy% 1.0 . 2.65 1484 938 A 56 LEU HBy A 56 LEU HDy% 1.0 . 2.65 1485 938 A 56 LEU HDx% A 56 LEU HBx 1.0 . 2.65 1486 938 A 56 LEU HBy A 56 LEU HDx% 1.0 . 2.65 1487 939 A 57 GLY H A 56 LEU HBx 1.0 . 3.73 1488 939 A 57 GLY H A 56 LEU HBy 1.0 . 3.73 1489 940 A 90 PHE HZ A 56 LEU HDy% 1.0 . 3.70 1490 940 A 90 PHE HZ A 56 LEU HDx% 1.0 . 3.70 1491 941 A 58 GLN H A 57 GLY HAx 1.0 . 3.05 1492 941 A 58 GLN H A 57 GLY HAy 1.0 . 3.05 1493 942 A 58 GLN H A 59 TYR HBx 1.0 . 4.69 1494 942 A 58 GLN H A 59 TYR HBy 1.0 . 4.69 1495 943 A 58 GLN HG3 A 58 GLN HE21 1.0 . 3.33 1496 943 A 58 GLN HE22 A 58 GLN HG2 1.0 . 3.33 1497 943 A 58 GLN HG3 A 58 GLN HE22 1.0 . 3.33 1498 943 A 58 GLN HE21 A 58 GLN HG2 1.0 . 3.33 1499 944 A 58 GLN HG2 A 59 TYR HBx 1.0 . 4.88 1500 944 A 58 GLN HG3 A 59 TYR HBx 1.0 . 4.88 1501 944 A 59 TYR HBy A 58 GLN HG2 1.0 . 4.88 1502 944 A 58 GLN HG3 A 59 TYR HBy 1.0 . 4.88 1503 945 A 58 GLN HE21 A 62 VAL HGx% 1.0 . 5.27 1504 945 A 58 GLN HE22 A 62 VAL HGy% 1.0 . 5.27 1505 945 A 58 GLN HE22 A 62 VAL HGx% 1.0 . 5.27 1506 945 A 58 GLN HE21 A 62 VAL HGy% 1.0 . 5.27 1507 946 A 59 TYR HA A 62 VAL HGx% 1.0 . 2.85 1508 946 A 59 TYR HA A 62 VAL HGy% 1.0 . 2.85 1509 947 A 60 ILE H A 59 TYR HBx 1.0 . 3.63 1510 947 A 60 ILE H A 59 TYR HBy 1.0 . 3.63 1511 948 A 59 TYR HBy A 60 ILE HG1x 1.0 . 4.68 1512 948 A 59 TYR HBx A 60 ILE HG1x 1.0 . 4.68 1513 948 A 60 ILE HG1y A 59 TYR HBx 1.0 . 4.68 1514 948 A 59 TYR HBy A 60 ILE HG1y 1.0 . 4.68 1515 949 A 59 TYR HD% A 60 ILE HG1x 1.0 . 4.11 1516 949 A 59 TYR HD% A 60 ILE HG1y 1.0 . 4.11 1517 950 A 59 TYR HD% A 81 LEU HDy% 1.0 . 4.03 1518 950 A 59 TYR HD% A 81 LEU HDx% 1.0 . 4.03 1519 951 A 59 TYR HE% A 63 LYS HDx 1.0 . 4.65 1520 951 A 59 TYR HE% A 63 LYS HDy 1.0 . 4.65 1521 952 A 59 TYR HE% A 63 LYS HEy 1.0 . 4.50 1522 952 A 59 TYR HE% A 63 LYS HEx 1.0 . 4.50 1523 953 A 59 TYR HE% A 79 ASP HBy 1.0 . 4.44 1524 953 A 59 TYR HE% A 79 ASP HBx 1.0 . 4.44 1525 954 A 59 TYR HE% A 81 LEU HBx 1.0 . 3.65 1526 954 A 59 TYR HE% A 81 LEU HBy 1.0 . 3.65 1527 955 A 60 ILE H A 60 ILE HG1x 1.0 . 3.87 1528 955 A 60 ILE H A 60 ILE HG1y 1.0 . 3.87 1529 956 A 60 ILE H A 81 LEU HDy% 1.0 . 5.44 1530 956 A 60 ILE H A 81 LEU HDx% 1.0 . 5.44 1531 957 A 60 ILE HA A 60 ILE HG1x 1.0 . 2.91 1532 957 A 60 ILE HA A 60 ILE HG1y 1.0 . 2.91 1533 958 A 60 ILE HA A 65 LEU HBx 1.0 . 4.03 1534 958 A 60 ILE HA A 65 LEU HBy 1.0 . 4.03 1535 959 A 60 ILE HA A 65 LEU HDy% 1.0 . 3.24 1536 959 A 60 ILE HA A 65 LEU HDx% 1.0 . 3.24 1537 960 A 60 ILE HG2% A 63 LYS HBx 1.0 . 4.12 1538 960 A 60 ILE HG2% A 63 LYS HBy 1.0 . 4.12 1539 961 A 60 ILE HG2% A 65 LEU HBx 1.0 . 4.38 1540 961 A 60 ILE HG2% A 65 LEU HBy 1.0 . 4.38 1541 962 A 90 PHE HZ A 60 ILE HG1x 1.0 . 3.96 1542 962 A 90 PHE HZ A 60 ILE HG1y 1.0 . 3.96 1543 963 A 66 TYR HE% A 61 MET HBx 1.0 . 4.36 1544 963 A 66 TYR HE% A 61 MET HBy 1.0 . 4.36 1545 964 A 61 MET HBy A 62 VAL HGx% 1.0 . 5.27 1546 964 A 61 MET HBx A 62 VAL HGx% 1.0 . 5.27 1547 964 A 62 VAL HGy% A 61 MET HBx 1.0 . 5.27 1548 964 A 61 MET HBy A 62 VAL HGy% 1.0 . 5.27 1549 965 A 61 MET HE% A 62 VAL HGx% 1.0 . 4.19 1550 965 A 61 MET HE% A 62 VAL HGy% 1.0 . 4.19 1551 966 A 62 VAL H A 62 VAL HGx% 1.0 . 2.96 1552 966 A 62 VAL H A 62 VAL HGy% 1.0 . 2.96 1553 967 A 62 VAL H A 63 LYS HBx 1.0 . 4.88 1554 967 A 62 VAL H A 63 LYS HBy 1.0 . 4.88 1555 968 A 62 VAL HA A 62 VAL HGx% 1.0 . 2.77 1556 968 A 62 VAL HA A 62 VAL HGy% 1.0 . 2.77 1557 969 A 64 GLN HE21 A 62 VAL HA 1.0 . 4.74 1558 969 A 62 VAL HA A 64 GLN HE22 1.0 . 4.74 1559 970 A 63 LYS HA A 62 VAL HGx% 1.0 . 3.50 1560 970 A 63 LYS HA A 62 VAL HGy% 1.0 . 3.50 1561 971 A 62 VAL HGy% A 63 LYS HG2 1.0 . 2.81 1562 971 A 62 VAL HGx% A 63 LYS HG2 1.0 . 2.81 1563 971 A 63 LYS HG3 A 62 VAL HGx% 1.0 . 2.81 1564 971 A 63 LYS HG3 A 62 VAL HGy% 1.0 . 2.81 1565 972 A 62 VAL HGy% A 63 LYS HEy 1.0 . 5.22 1566 972 A 62 VAL HGx% A 63 LYS HEy 1.0 . 5.22 1567 972 A 63 LYS HEx A 62 VAL HGx% 1.0 . 5.22 1568 972 A 63 LYS HEx A 62 VAL HGy% 1.0 . 5.22 1569 973 A 64 GLN H A 62 VAL HGx% 1.0 . 3.96 1570 973 A 64 GLN H A 62 VAL HGy% 1.0 . 3.96 1571 974 A 63 LYS H A 63 LYS HBx 1.0 . 3.04 1572 974 A 63 LYS H A 63 LYS HBy 1.0 . 3.04 1573 975 A 63 LYS H A 63 LYS HDx 1.0 . 4.05 1574 975 A 63 LYS H A 63 LYS HDy 1.0 . 4.05 1575 976 A 63 LYS H A 63 LYS HEy 1.0 . 5.34 1576 976 A 63 LYS H A 63 LYS HEx 1.0 . 5.34 1577 977 A 63 LYS H A 65 LEU HDy% 1.0 . 4.34 1578 977 A 63 LYS H A 65 LEU HDx% 1.0 . 4.34 1579 978 A 63 LYS HA A 63 LYS HDx 1.0 . 3.51 1580 978 A 63 LYS HA A 63 LYS HDy 1.0 . 3.51 1581 979 A 63 LYS HBy A 63 LYS HEy 1.0 . 4.55 1582 979 A 63 LYS HBx A 63 LYS HEy 1.0 . 4.55 1583 979 A 63 LYS HEx A 63 LYS HBx 1.0 . 4.55 1584 979 A 63 LYS HEx A 63 LYS HBy 1.0 . 4.55 1585 980 A 63 LYS HZ% A 63 LYS HBx 1.0 . 5.10 1586 980 A 63 LYS HZ% A 63 LYS HBy 1.0 . 5.10 1587 981 A 64 GLN H A 63 LYS HBx 1.0 . 3.79 1588 981 A 64 GLN H A 63 LYS HBy 1.0 . 3.79 1589 982 A 63 LYS HEy A 63 LYS HG2 1.0 . 3.09 1590 982 A 63 LYS HEx A 63 LYS HG2 1.0 . 3.09 1591 982 A 63 LYS HG3 A 63 LYS HEy 1.0 . 3.09 1592 982 A 63 LYS HG3 A 63 LYS HEx 1.0 . 3.09 1593 983 A 64 GLN HE22 A 63 LYS HDx 1.0 . 4.89 1594 983 A 64 GLN HE21 A 63 LYS HDx 1.0 . 4.89 1595 983 A 64 GLN HE21 A 63 LYS HDy 1.0 . 4.89 1596 983 A 64 GLN HE22 A 63 LYS HDy 1.0 . 4.89 1597 984 A 63 LYS HZ% A 80 LEU HBx 1.0 . 4.58 1598 984 A 63 LYS HZ% A 80 LEU HBy 1.0 . 4.58 1599 985 A 63 LYS HZ% A 81 LEU HBx 1.0 . 4.80 1600 985 A 63 LYS HZ% A 81 LEU HBy 1.0 . 4.80 1601 986 A 64 GLN H A 64 GLN HBy 1.0 . 3.44 1602 986 A 64 GLN H A 64 GLN HBx 1.0 . 3.44 1603 987 A 64 GLN H A 65 LEU HDy% 1.0 . 5.44 1604 987 A 64 GLN H A 65 LEU HDx% 1.0 . 5.44 1605 988 A 64 GLN HA A 64 GLN HBy 1.0 . 2.61 1606 988 A 64 GLN HA A 64 GLN HBx 1.0 . 2.61 1607 989 A 64 GLN HA A 64 GLN HE21 1.0 . 4.85 1608 989 A 64 GLN HA A 64 GLN HE22 1.0 . 4.85 1609 990 A 66 TYR H A 64 GLN HBy 1.0 . 5.13 1610 990 A 66 TYR H A 64 GLN HBx 1.0 . 5.13 1611 991 A 66 TYR HD% A 64 GLN HBy 1.0 . 4.84 1612 991 A 66 TYR HD% A 64 GLN HBx 1.0 . 4.84 1613 992 A 66 TYR HE% A 64 GLN HBy 1.0 . 4.77 1614 992 A 66 TYR HE% A 64 GLN HBx 1.0 . 4.77 1615 993 A 65 LEU H A 65 LEU HBx 1.0 . 3.33 1616 993 A 65 LEU H A 65 LEU HBy 1.0 . 3.33 1617 994 A 65 LEU H A 65 LEU HDy% 1.0 . 4.05 1618 994 A 65 LEU H A 65 LEU HDx% 1.0 . 4.05 1619 995 A 65 LEU HA A 65 LEU HDy% 1.0 . 2.70 1620 995 A 65 LEU HA A 65 LEU HDx% 1.0 . 2.70 1621 996 A 66 TYR H A 65 LEU HBx 1.0 . 4.26 1622 996 A 66 TYR H A 65 LEU HBy 1.0 . 4.26 1623 997 A 65 LEU HBy A 74 VAL HGx% 1.0 . 3.31 1624 997 A 65 LEU HBx A 74 VAL HGx% 1.0 . 3.31 1625 997 A 74 VAL HGy% A 65 LEU HBx 1.0 . 3.31 1626 997 A 65 LEU HBy A 74 VAL HGy% 1.0 . 3.31 1627 998 A 75 TYR H A 65 LEU HBx 1.0 . 4.37 1628 998 A 75 TYR H A 65 LEU HBy 1.0 . 4.37 1629 999 A 66 TYR HD% A 65 LEU HDy% 1.0 . 5.44 1630 999 A 66 TYR HD% A 65 LEU HDx% 1.0 . 5.44 1631 1000 A 76 CYS HA A 65 LEU HDy% 1.0 . 4.00 1632 1000 A 76 CYS HA A 65 LEU HDx% 1.0 . 4.00 1633 1001 A 65 LEU HDy% A 76 CYS HBx 1.0 . 4.53 1634 1001 A 65 LEU HDx% A 76 CYS HBx 1.0 . 4.53 1635 1001 A 76 CYS HBy A 65 LEU HDy% 1.0 . 4.53 1636 1001 A 65 LEU HDx% A 76 CYS HBy 1.0 . 4.53 1637 1002 A 79 ASP H A 65 LEU HDy% 1.0 . 4.97 1638 1002 A 79 ASP H A 65 LEU HDx% 1.0 . 4.97 1639 1003 A 65 LEU HDx% A 79 ASP HBy 1.0 . 3.95 1640 1003 A 79 ASP HBx A 65 LEU HDy% 1.0 . 3.95 1641 1003 A 79 ASP HBx A 65 LEU HDx% 1.0 . 3.95 1642 1003 A 65 LEU HDy% A 79 ASP HBy 1.0 . 3.95 1643 1004 A 66 TYR H A 66 TYR HBx 1.0 . 3.62 1644 1004 A 66 TYR H A 66 TYR HBy 1.0 . 3.62 1645 1005 A 66 TYR HA A 66 TYR HBx 1.0 . 2.65 1646 1005 A 66 TYR HA A 66 TYR HBy 1.0 . 2.65 1647 1006 A 66 TYR HA A 74 VAL HGx% 1.0 . 4.09 1648 1006 A 66 TYR HA A 74 VAL HGy% 1.0 . 4.09 1649 1007 A 67 ASP H A 66 TYR HBx 1.0 . 3.85 1650 1007 A 67 ASP H A 66 TYR HBy 1.0 . 3.85 1651 1008 A 74 VAL HA A 66 TYR HBx 1.0 . 4.45 1652 1008 A 74 VAL HA A 66 TYR HBy 1.0 . 4.45 1653 1009 A 66 TYR HBy A 74 VAL HGx% 1.0 . 3.23 1654 1009 A 66 TYR HBx A 74 VAL HGx% 1.0 . 3.23 1655 1009 A 74 VAL HGy% A 66 TYR HBx 1.0 . 3.23 1656 1009 A 74 VAL HGy% A 66 TYR HBy 1.0 . 3.23 1657 1010 A 75 TYR H A 66 TYR HBx 1.0 . 4.85 1658 1010 A 75 TYR H A 66 TYR HBy 1.0 . 4.85 1659 1011 A 66 TYR HD% A 71 GLN HGx 1.0 . 4.09 1660 1011 A 66 TYR HD% A 71 GLN HGy 1.0 . 4.09 1661 1012 A 66 TYR HD% A 71 GLN HE22 1.0 . 4.60 1662 1012 A 66 TYR HD% A 71 GLN HE21 1.0 . 4.60 1663 1013 A 66 TYR HE% A 74 VAL HGy% 1.0 . 4.66 1664 1013 A 66 TYR HD% A 74 VAL HGx% 1.0 . 4.66 1665 1013 A 66 TYR HD% A 74 VAL HGy% 1.0 . 4.66 1666 1013 A 66 TYR HE% A 74 VAL HGx% 1.0 . 4.66 1667 1014 A 67 ASP H A 71 GLN HE22 1.0 . 5.23 1668 1014 A 67 ASP H A 71 GLN HE21 1.0 . 5.23 1669 1015 A 67 ASP H A 75 TYR HBx 1.0 . 4.92 1670 1015 A 67 ASP H A 75 TYR HBy 1.0 . 4.92 1671 1016 A 67 ASP HA A 68 GLN HE21 1.0 . 4.31 1672 1016 A 67 ASP HA A 68 GLN HE22 1.0 . 4.31 1673 1017 A 68 GLN H A 67 ASP HBy 1.0 . 3.93 1674 1017 A 68 GLN H A 67 ASP HBx 1.0 . 3.93 1675 1018 A 68 GLN HE22 A 67 ASP HBy 1.0 . 4.41 1676 1018 A 68 GLN HE22 A 67 ASP HBx 1.0 . 4.41 1677 1018 A 68 GLN HE21 A 67 ASP HBx 1.0 . 4.41 1678 1018 A 68 GLN HE21 A 67 ASP HBy 1.0 . 4.41 1679 1019 A 69 GLN H A 67 ASP HBy 1.0 . 4.99 1680 1019 A 69 GLN H A 67 ASP HBx 1.0 . 4.99 1681 1020 A 70 GLU H A 67 ASP HBy 1.0 . 3.43 1682 1020 A 70 GLU H A 67 ASP HBx 1.0 . 3.43 1683 1021 A 67 ASP HBy A 70 GLU HB2 1.0 . 4.32 1684 1021 A 67 ASP HBx A 70 GLU HB2 1.0 . 4.32 1685 1021 A 70 GLU HB3 A 67 ASP HBy 1.0 . 4.32 1686 1021 A 70 GLU HB3 A 67 ASP HBx 1.0 . 4.32 1687 1022 A 67 ASP HBy A 71 GLN HE22 1.0 . 3.99 1688 1022 A 67 ASP HBx A 71 GLN HE22 1.0 . 3.99 1689 1022 A 71 GLN HE21 A 67 ASP HBy 1.0 . 3.99 1690 1022 A 71 GLN HE21 A 67 ASP HBx 1.0 . 3.99 1691 1023 A 73 MET H A 67 ASP HBy 1.0 . 5.20 1692 1023 A 73 MET H A 67 ASP HBx 1.0 . 5.20 1693 1024 A 67 ASP HBx A 73 MET HB2 1.0 . 4.28 1694 1024 A 67 ASP HBy A 73 MET HB2 1.0 . 4.28 1695 1024 A 73 MET HB3 A 67 ASP HBy 1.0 . 4.28 1696 1024 A 73 MET HB3 A 67 ASP HBx 1.0 . 4.28 1697 1025 A 75 TYR HD% A 67 ASP HBy 1.0 . 3.90 1698 1025 A 75 TYR HD% A 67 ASP HBx 1.0 . 3.90 1699 1026 A 75 TYR HE% A 67 ASP HBy 1.0 . 3.75 1700 1026 A 75 TYR HE% A 67 ASP HBx 1.0 . 3.75 1701 1027 A 68 GLN H A 68 GLN HBy 1.0 . 3.07 1702 1027 A 68 GLN H A 68 GLN HBx 1.0 . 3.07 1703 1028 A 68 GLN H A 68 GLN HE21 1.0 . 4.44 1704 1028 A 68 GLN H A 68 GLN HE22 1.0 . 4.44 1705 1029 A 68 GLN H A 69 GLN HE22 1.0 . 4.97 1706 1029 A 68 GLN H A 69 GLN HE21 1.0 . 4.97 1707 1030 A 68 GLN HE21 A 68 GLN HA 1.0 . 4.59 1708 1030 A 68 GLN HE22 A 68 GLN HA 1.0 . 4.59 1709 1031 A 68 GLN HA A 71 GLN HE22 1.0 . 5.04 1710 1031 A 68 GLN HA A 71 GLN HE21 1.0 . 5.04 1711 1032 A 68 GLN HBy A 68 GLN HG2 1.0 . 2.39 1712 1032 A 68 GLN HBx A 68 GLN HG2 1.0 . 2.39 1713 1032 A 68 GLN HG3 A 68 GLN HBy 1.0 . 2.39 1714 1032 A 68 GLN HG3 A 68 GLN HBx 1.0 . 2.39 1715 1033 A 69 GLN H A 68 GLN HBy 1.0 . 2.94 1716 1033 A 69 GLN H A 68 GLN HBx 1.0 . 2.94 1717 1034 A 69 GLN HA A 68 GLN HBy 1.0 . 4.30 1718 1034 A 69 GLN HA A 68 GLN HBx 1.0 . 4.30 1719 1035 A 69 GLN HE21 A 68 GLN HBy 1.0 . 4.09 1720 1035 A 69 GLN HE22 A 68 GLN HBy 1.0 . 4.09 1721 1035 A 69 GLN HE22 A 68 GLN HBx 1.0 . 4.09 1722 1035 A 69 GLN HE21 A 68 GLN HBx 1.0 . 4.09 1723 1036 A 70 GLU H A 68 GLN HBy 1.0 . 4.73 1724 1036 A 70 GLU H A 68 GLN HBx 1.0 . 4.73 1725 1037 A 68 GLN HBx A 71 GLN HE22 1.0 . 5.18 1726 1037 A 68 GLN HBy A 71 GLN HE22 1.0 . 5.18 1727 1037 A 71 GLN HE21 A 68 GLN HBy 1.0 . 5.18 1728 1037 A 71 GLN HE21 A 68 GLN HBx 1.0 . 5.18 1729 1038 A 69 GLN HE21 A 68 GLN HG2 1.0 . 4.28 1730 1038 A 68 GLN HG3 A 69 GLN HE21 1.0 . 4.28 1731 1038 A 69 GLN HE22 A 68 GLN HG2 1.0 . 4.28 1732 1038 A 68 GLN HG3 A 69 GLN HE22 1.0 . 4.28 1733 1039 A 68 GLN HE21 A 69 GLN H 1.0 . 4.54 1734 1039 A 68 GLN HE22 A 69 GLN H 1.0 . 4.54 1735 1040 A 68 GLN HE21 A 69 GLN HA 1.0 . 5.31 1736 1040 A 68 GLN HE22 A 69 GLN HA 1.0 . 5.31 1737 1041 A 68 GLN HE21 A 69 GLN HGy 1.0 . 4.86 1738 1041 A 68 GLN HE21 A 69 GLN HGx 1.0 . 4.86 1739 1041 A 68 GLN HE22 A 69 GLN HGy 1.0 . 4.86 1740 1041 A 68 GLN HE22 A 69 GLN HGx 1.0 . 4.86 1741 1042 A 68 GLN HE22 A 69 GLN HE22 1.0 . 3.75 1742 1042 A 68 GLN HE21 A 69 GLN HE21 1.0 . 3.75 1743 1042 A 68 GLN HE21 A 69 GLN HE22 1.0 . 3.75 1744 1042 A 68 GLN HE22 A 69 GLN HE21 1.0 . 3.75 1745 1043 A 69 GLN H A 69 GLN HE21 1.0 . 5.34 1746 1043 A 69 GLN H A 69 GLN HE22 1.0 . 5.34 1747 1044 A 69 GLN HA A 69 GLN HGx 1.0 . 3.07 1748 1044 A 69 GLN HA A 69 GLN HGy 1.0 . 3.07 1749 1045 A 69 GLN HA A 69 GLN HE22 1.0 . 5.18 1750 1045 A 69 GLN HA A 69 GLN HE21 1.0 . 5.18 1751 1046 A 69 GLN HBx A 69 GLN HGx 1.0 . 2.31 1752 1046 A 69 GLN HBy A 69 GLN HGx 1.0 . 2.31 1753 1046 A 69 GLN HGy A 69 GLN HBy 1.0 . 2.31 1754 1046 A 69 GLN HGy A 69 GLN HBx 1.0 . 2.31 1755 1047 A 70 GLU H A 69 GLN HBy 1.0 . 3.39 1756 1047 A 70 GLU H A 69 GLN HBx 1.0 . 3.39 1757 1048 A 70 GLU HA A 69 GLN HBy 1.0 . 4.65 1758 1048 A 70 GLU HA A 69 GLN HBx 1.0 . 4.65 1759 1049 A 70 GLU H A 69 GLN HE21 1.0 . 5.17 1760 1049 A 70 GLU H A 69 GLN HE22 1.0 . 5.17 1761 1050 A 70 GLU H A 70 GLU HGx 1.0 . 4.09 1762 1050 A 70 GLU H A 70 GLU HGy 1.0 . 4.09 1763 1051 A 72 HIS HE1 A 70 GLU HGx 1.0 . 4.04 1764 1051 A 72 HIS HE1 A 70 GLU HGy 1.0 . 4.04 1765 1052 A 71 GLN H A 71 GLN HBy 1.0 . 3.12 1766 1052 A 71 GLN H A 71 GLN HBx 1.0 . 3.12 1767 1053 A 71 GLN H A 71 GLN HGx 1.0 . 3.34 1768 1053 A 71 GLN H A 71 GLN HGy 1.0 . 3.34 1769 1054 A 71 GLN H A 71 GLN HE22 1.0 . 3.76 1770 1054 A 71 GLN H A 71 GLN HE21 1.0 . 3.76 1771 1055 A 71 GLN HA A 71 GLN HGx 1.0 . 3.38 1772 1055 A 71 GLN HA A 71 GLN HGy 1.0 . 3.38 1773 1056 A 71 GLN HBx A 71 GLN HE22 1.0 . 4.47 1774 1056 A 71 GLN HBy A 71 GLN HE22 1.0 . 4.47 1775 1056 A 71 GLN HE21 A 71 GLN HBy 1.0 . 4.47 1776 1056 A 71 GLN HBx A 71 GLN HE21 1.0 . 4.47 1777 1057 A 72 HIS H A 72 HIS HBy 1.0 . 3.56 1778 1057 A 72 HIS H A 72 HIS HBx 1.0 . 3.56 1779 1058 A 72 HIS H A 92 VAL HGx% 1.0 . 4.61 1780 1058 A 72 HIS H A 92 VAL HGy% 1.0 . 4.61 1781 1059 A 72 HIS HA A 72 HIS HBy 1.0 . 2.53 1782 1059 A 72 HIS HA A 72 HIS HBx 1.0 . 2.53 1783 1060 A 72 HIS HA A 92 VAL HGx% 1.0 . 3.39 1784 1060 A 72 HIS HA A 92 VAL HGy% 1.0 . 3.39 1785 1061 A 72 HIS HBy A 92 VAL HGx% 1.0 . 2.95 1786 1061 A 72 HIS HBx A 92 VAL HGx% 1.0 . 2.95 1787 1061 A 92 VAL HGy% A 72 HIS HBy 1.0 . 2.95 1788 1061 A 72 HIS HBx A 92 VAL HGy% 1.0 . 2.95 1789 1062 A 93 LYS H A 72 HIS HBy 1.0 . 4.67 1790 1062 A 93 LYS H A 72 HIS HBx 1.0 . 4.67 1791 1063 A 72 HIS HD2 A 91 SER HBx 1.0 . 4.40 1792 1063 A 72 HIS HD2 A 91 SER HBy 1.0 . 4.40 1793 1064 A 72 HIS HD2 A 92 VAL HGx% 1.0 . 4.24 1794 1064 A 72 HIS HD2 A 92 VAL HGy% 1.0 . 4.24 1795 1065 A 73 MET H A 74 VAL HGx% 1.0 . 5.44 1796 1065 A 73 MET H A 74 VAL HGy% 1.0 . 5.44 1797 1066 A 73 MET H A 92 VAL HGx% 1.0 . 4.72 1798 1066 A 73 MET H A 92 VAL HGy% 1.0 . 4.72 1799 1067 A 73 MET HA A 91 SER HBx 1.0 . 4.15 1800 1067 A 73 MET HA A 91 SER HBy 1.0 . 4.15 1801 1068 A 74 VAL H A 74 VAL HGx% 1.0 . 3.57 1802 1068 A 74 VAL H A 74 VAL HGy% 1.0 . 3.57 1803 1069 A 74 VAL HA A 74 VAL HGx% 1.0 . 2.90 1804 1069 A 74 VAL HA A 74 VAL HGy% 1.0 . 2.90 1805 1070 A 74 VAL HA A 75 TYR HBx 1.0 . 4.68 1806 1070 A 74 VAL HA A 75 TYR HBy 1.0 . 4.68 1807 1071 A 75 TYR H A 74 VAL HGx% 1.0 . 3.38 1808 1071 A 75 TYR H A 74 VAL HGy% 1.0 . 3.38 1809 1072 A 75 TYR HA A 74 VAL HGx% 1.0 . 5.13 1810 1072 A 75 TYR HA A 74 VAL HGy% 1.0 . 5.13 1811 1073 A 76 CYS H A 74 VAL HGx% 1.0 . 5.14 1812 1073 A 76 CYS H A 74 VAL HGy% 1.0 . 5.14 1813 1074 A 74 VAL HGy% A 76 CYS HBx 1.0 . 4.05 1814 1074 A 74 VAL HGx% A 76 CYS HBx 1.0 . 4.05 1815 1074 A 76 CYS HBy A 74 VAL HGx% 1.0 . 4.05 1816 1074 A 74 VAL HGy% A 76 CYS HBy 1.0 . 4.05 1817 1075 A 90 PHE HD% A 74 VAL HGx% 1.0 . 3.55 1818 1075 A 90 PHE HD% A 74 VAL HGy% 1.0 . 3.55 1819 1076 A 90 PHE HZ A 74 VAL HGx% 1.0 . 3.53 1820 1076 A 90 PHE HZ A 74 VAL HGy% 1.0 . 3.53 1821 1077 A 75 TYR H A 75 TYR HBx 1.0 . 3.21 1822 1077 A 75 TYR H A 75 TYR HBy 1.0 . 3.21 1823 1078 A 75 TYR HA A 76 CYS HBx 1.0 . 4.62 1824 1078 A 75 TYR HA A 76 CYS HBy 1.0 . 4.62 1825 1079 A 75 TYR HA A 88 GLN HE22 1.0 . 4.82 1826 1079 A 75 TYR HA A 88 GLN HE21 1.0 . 4.82 1827 1080 A 75 TYR HA A 89 SER HBx 1.0 . 3.96 1828 1080 A 75 TYR HA A 89 SER HBy 1.0 . 3.96 1829 1081 A 75 TYR HBx A 88 GLN HE22 1.0 . 4.91 1830 1081 A 75 TYR HBy A 88 GLN HE22 1.0 . 4.91 1831 1081 A 88 GLN HE21 A 75 TYR HBx 1.0 . 4.91 1832 1081 A 75 TYR HBy A 88 GLN HE21 1.0 . 4.91 1833 1082 A 75 TYR HD% A 89 SER HBx 1.0 . 3.79 1834 1082 A 75 TYR HD% A 89 SER HBy 1.0 . 3.79 1835 1083 A 75 TYR HE% A 89 SER HBx 1.0 . 4.55 1836 1083 A 75 TYR HE% A 89 SER HBy 1.0 . 4.55 1837 1084 A 76 CYS H A 77 GLY HAx 1.0 . 4.57 1838 1084 A 76 CYS H A 77 GLY HAy 1.0 . 4.57 1839 1085 A 76 CYS HA A 77 GLY HAx 1.0 . 4.60 1840 1085 A 76 CYS HA A 77 GLY HAy 1.0 . 4.60 1841 1086 A 76 CYS HBx A 77 GLY HAx 1.0 . 4.11 1842 1086 A 76 CYS HBy A 77 GLY HAx 1.0 . 4.11 1843 1086 A 77 GLY HAy A 76 CYS HBx 1.0 . 4.11 1844 1086 A 76 CYS HBy A 77 GLY HAy 1.0 . 4.11 1845 1087 A 76 CYS HBy A 81 LEU HBx 1.0 . 4.42 1846 1087 A 76 CYS HBx A 81 LEU HBx 1.0 . 4.42 1847 1087 A 81 LEU HBy A 76 CYS HBx 1.0 . 4.42 1848 1087 A 81 LEU HBy A 76 CYS HBy 1.0 . 4.42 1849 1088 A 81 LEU HG A 76 CYS HBx 1.0 . 4.68 1850 1088 A 81 LEU HG A 76 CYS HBy 1.0 . 4.68 1851 1089 A 76 CYS HBx A 81 LEU HDy% 1.0 . 3.96 1852 1089 A 76 CYS HBy A 81 LEU HDy% 1.0 . 3.96 1853 1089 A 81 LEU HDx% A 76 CYS HBx 1.0 . 3.96 1854 1089 A 81 LEU HDx% A 76 CYS HBy 1.0 . 3.96 1855 1090 A 82 GLY H A 76 CYS HBx 1.0 . 4.04 1856 1090 A 82 GLY H A 76 CYS HBy 1.0 . 4.04 1857 1091 A 88 GLN HA A 76 CYS HBx 1.0 . 3.30 1858 1091 A 88 GLN HA A 76 CYS HBy 1.0 . 3.30 1859 1092 A 77 GLY HAy A 88 GLN HG2 1.0 . 4.15 1860 1092 A 77 GLY HAx A 88 GLN HG2 1.0 . 4.15 1861 1092 A 88 GLN HG3 A 77 GLY HAx 1.0 . 4.15 1862 1092 A 88 GLN HG3 A 77 GLY HAy 1.0 . 4.15 1863 1093 A 79 ASP HBx A 80 LEU HBx 1.0 . 5.14 1864 1093 A 79 ASP HBy A 80 LEU HBx 1.0 . 5.14 1865 1093 A 80 LEU HBy A 79 ASP HBy 1.0 . 5.14 1866 1093 A 79 ASP HBx A 80 LEU HBy 1.0 . 5.14 1867 1094 A 81 LEU H A 79 ASP HBy 1.0 . 3.88 1868 1094 A 81 LEU H A 79 ASP HBx 1.0 . 3.88 1869 1095 A 82 GLY H A 79 ASP HBy 1.0 . 3.41 1870 1095 A 82 GLY H A 79 ASP HBx 1.0 . 3.41 1871 1096 A 80 LEU H A 80 LEU HBx 1.0 . 3.51 1872 1096 A 80 LEU H A 80 LEU HBy 1.0 . 3.51 1873 1097 A 81 LEU H A 80 LEU HBx 1.0 . 3.75 1874 1097 A 81 LEU H A 80 LEU HBy 1.0 . 3.75 1875 1098 A 81 LEU HA A 80 LEU HBx 1.0 . 3.78 1876 1098 A 81 LEU HA A 80 LEU HBy 1.0 . 3.78 1877 1099 A 80 LEU HD1% A 83 GLU HGx 1.0 . 3.89 1878 1099 A 83 GLU HGy A 80 LEU HD1% 1.0 . 3.89 1879 1099 A 80 LEU HD2% A 83 GLU HGy 1.0 . 3.89 1880 1099 A 80 LEU HD2% A 83 GLU HGx 1.0 . 3.89 1881 1100 A 81 LEU H A 81 LEU HBx 1.0 . 3.04 1882 1100 A 81 LEU H A 81 LEU HBy 1.0 . 3.04 1883 1101 A 81 LEU H A 81 LEU HDy% 1.0 . 5.06 1884 1101 A 81 LEU H A 81 LEU HDx% 1.0 . 5.06 1885 1102 A 81 LEU HA A 81 LEU HDy% 1.0 . 4.23 1886 1102 A 81 LEU HA A 81 LEU HDx% 1.0 . 4.23 1887 1103 A 81 LEU HA A 84 LEU HBx 1.0 . 3.78 1888 1103 A 81 LEU HA A 84 LEU HBy 1.0 . 3.78 1889 1104 A 81 LEU HA A 84 LEU HDy% 1.0 . 3.34 1890 1104 A 84 LEU HDx% A 81 LEU HA 1.0 . 3.34 1891 1105 A 82 GLY H A 81 LEU HBx 1.0 . 4.31 1892 1105 A 82 GLY H A 81 LEU HBy 1.0 . 4.31 1893 1106 A 82 GLY H A 81 LEU HDy% 1.0 . 4.14 1894 1106 A 82 GLY H A 81 LEU HDx% 1.0 . 4.14 1895 1107 A 83 GLU H A 81 LEU HDy% 1.0 . 4.94 1896 1107 A 83 GLU H A 81 LEU HDx% 1.0 . 4.94 1897 1108 A 81 LEU HDy% A 84 LEU HDy% 1.0 . 3.08 1898 1108 A 81 LEU HDx% A 84 LEU HDy% 1.0 . 3.08 1899 1108 A 84 LEU HDx% A 81 LEU HDy% 1.0 . 3.08 1900 1108 A 84 LEU HDx% A 81 LEU HDx% 1.0 . 3.08 1901 1109 A 81 LEU HDx% A 85 LEU HDy% 1.0 . 3.08 1902 1109 A 81 LEU HDy% A 85 LEU HDy% 1.0 . 3.08 1903 1109 A 85 LEU HDx% A 81 LEU HDy% 1.0 . 3.08 1904 1109 A 81 LEU HDx% A 85 LEU HDx% 1.0 . 3.08 1905 1110 A 83 GLU H A 82 GLY HAy 1.0 . 2.81 1906 1110 A 83 GLU H A 82 GLY HAx 1.0 . 2.81 1907 1111 A 82 GLY HAx A 85 LEU HBx 1.0 . 3.73 1908 1111 A 82 GLY HAy A 85 LEU HBx 1.0 . 3.73 1909 1111 A 85 LEU HBy A 82 GLY HAy 1.0 . 3.73 1910 1111 A 82 GLY HAx A 85 LEU HBy 1.0 . 3.73 1911 1112 A 82 GLY HAy A 85 LEU HDy% 1.0 . 4.97 1912 1112 A 82 GLY HAx A 85 LEU HDy% 1.0 . 4.97 1913 1112 A 85 LEU HDx% A 82 GLY HAy 1.0 . 4.97 1914 1112 A 82 GLY HAx A 85 LEU HDx% 1.0 . 4.97 1915 1113 A 83 GLU H A 83 GLU HGx 1.0 . 3.32 1916 1113 A 83 GLU H A 83 GLU HGy 1.0 . 3.32 1917 1114 A 83 GLU H A 84 LEU HBx 1.0 . 4.79 1918 1114 A 83 GLU H A 84 LEU HBy 1.0 . 4.79 1919 1115 A 83 GLU H A 84 LEU HDy% 1.0 . 5.33 1920 1115 A 83 GLU H A 84 LEU HDx% 1.0 . 5.33 1921 1116 A 83 GLU HA A 83 GLU HGx 1.0 . 3.25 1922 1116 A 83 GLU HA A 83 GLU HGy 1.0 . 3.25 1923 1117 A 84 LEU H A 83 GLU HGx 1.0 . 4.41 1924 1117 A 84 LEU H A 83 GLU HGy 1.0 . 4.41 1925 1118 A 84 LEU HA A 83 GLU HGx 1.0 . 3.36 1926 1118 A 84 LEU HA A 83 GLU HGy 1.0 . 3.36 1927 1119 A 84 LEU H A 84 LEU HBx 1.0 . 2.83 1928 1119 A 84 LEU H A 84 LEU HBy 1.0 . 2.83 1929 1120 A 84 LEU HA A 84 LEU HBx 1.0 . 2.63 1930 1120 A 84 LEU HA A 84 LEU HBy 1.0 . 2.63 1931 1121 A 85 LEU H A 84 LEU HBx 1.0 . 3.64 1932 1121 A 85 LEU H A 84 LEU HBy 1.0 . 3.64 1933 1122 A 85 LEU H A 84 LEU HDy% 1.0 . 4.88 1934 1122 A 85 LEU H A 84 LEU HDx% 1.0 . 4.88 1935 1123 A 86 GLY H A 84 LEU HDy% 1.0 . 5.44 1936 1123 A 86 GLY H A 84 LEU HDx% 1.0 . 5.44 1937 1124 A 84 LEU HDy% A 101 MET HG2 1.0 . 3.71 1938 1124 A 84 LEU HDx% A 101 MET HG2 1.0 . 3.71 1939 1124 A 101 MET HG3 A 84 LEU HDy% 1.0 . 3.71 1940 1124 A 84 LEU HDx% A 101 MET HG3 1.0 . 3.71 1941 1125 A 84 LEU HDx% A 85 LEU HDy% 1.0 . 2.68 1942 1125 A 84 LEU HDy% A 85 LEU HDy% 1.0 . 2.68 1943 1125 A 85 LEU HDx% A 84 LEU HDy% 1.0 . 2.68 1944 1125 A 84 LEU HDx% A 85 LEU HDx% 1.0 . 2.68 1945 1126 A 85 LEU H A 85 LEU HBx 1.0 . 3.00 1946 1126 A 85 LEU H A 85 LEU HBy 1.0 . 3.00 1947 1127 A 85 LEU H A 85 LEU HDy% 1.0 . 4.01 1948 1127 A 85 LEU H A 85 LEU HDx% 1.0 . 4.01 1949 1128 A 85 LEU HA A 85 LEU HDy% 1.0 . 2.99 1950 1128 A 85 LEU HA A 85 LEU HDx% 1.0 . 2.99 1951 1129 A 85 LEU HBy A 85 LEU HDy% 1.0 . 2.83 1952 1129 A 85 LEU HBx A 85 LEU HDy% 1.0 . 2.83 1953 1129 A 85 LEU HDx% A 85 LEU HBx 1.0 . 2.83 1954 1129 A 85 LEU HDx% A 85 LEU HBy 1.0 . 2.83 1955 1130 A 86 GLY H A 85 LEU HBx 1.0 . 3.80 1956 1130 A 86 GLY H A 85 LEU HBy 1.0 . 3.80 1957 1131 A 87 ARG H A 85 LEU HBx 1.0 . 3.42 1958 1131 A 87 ARG H A 85 LEU HBy 1.0 . 3.42 1959 1132 A 88 GLN H A 85 LEU HBx 1.0 . 5.34 1960 1132 A 88 GLN H A 85 LEU HBy 1.0 . 5.34 1961 1133 A 90 PHE HD% A 85 LEU HBx 1.0 . 4.36 1962 1133 A 90 PHE HD% A 85 LEU HBy 1.0 . 4.36 1963 1134 A 90 PHE HE% A 85 LEU HBx 1.0 . 4.54 1964 1134 A 90 PHE HE% A 85 LEU HBy 1.0 . 4.54 1965 1135 A 86 GLY H A 85 LEU HDy% 1.0 . 5.26 1966 1135 A 86 GLY H A 85 LEU HDx% 1.0 . 5.26 1967 1136 A 87 ARG H A 85 LEU HDy% 1.0 . 4.65 1968 1136 A 87 ARG H A 85 LEU HDx% 1.0 . 4.65 1969 1137 A 85 LEU HDx% A 87 ARG HD2 1.0 . 3.62 1970 1137 A 85 LEU HDy% A 87 ARG HD2 1.0 . 3.62 1971 1137 A 87 ARG HD3 A 85 LEU HDy% 1.0 . 3.62 1972 1137 A 87 ARG HD3 A 85 LEU HDx% 1.0 . 3.62 1973 1138 A 89 SER H A 85 LEU HDy% 1.0 . 5.44 1974 1138 A 89 SER H A 85 LEU HDx% 1.0 . 5.44 1975 1139 A 90 PHE HD% A 85 LEU HDy% 1.0 . 3.40 1976 1139 A 90 PHE HD% A 85 LEU HDx% 1.0 . 3.40 1977 1140 A 90 PHE HZ A 85 LEU HDy% 1.0 . 4.49 1978 1140 A 90 PHE HZ A 85 LEU HDx% 1.0 . 4.49 1979 1141 A 98 LEU HA A 85 LEU HDy% 1.0 . 3.41 1980 1141 A 98 LEU HA A 85 LEU HDx% 1.0 . 3.41 1981 1142 A 101 MET H A 85 LEU HDy% 1.0 . 4.56 1982 1142 A 101 MET H A 85 LEU HDx% 1.0 . 4.56 1983 1143 A 85 LEU HDx% A 101 MET HG2 1.0 . 4.88 1984 1143 A 85 LEU HDy% A 101 MET HG2 1.0 . 4.88 1985 1143 A 101 MET HG3 A 85 LEU HDy% 1.0 . 4.88 1986 1143 A 101 MET HG3 A 85 LEU HDx% 1.0 . 4.88 1987 1144 A 101 MET HE% A 85 LEU HDy% 1.0 . 4.06 1988 1144 A 101 MET HE% A 85 LEU HDx% 1.0 . 4.06 1989 1145 A 87 ARG HA A 86 GLY HAy 1.0 . 4.57 1990 1145 A 87 ARG HA A 86 GLY HAx 1.0 . 4.57 1991 1146 A 87 ARG H A 87 ARG HBy 1.0 . 3.27 1992 1146 A 87 ARG H A 87 ARG HBx 1.0 . 3.27 1993 1147 A 87 ARG H A 87 ARG HGy 1.0 . 4.19 1994 1147 A 87 ARG H A 87 ARG HGx 1.0 . 4.19 1995 1148 A 87 ARG HA A 87 ARG HGy 1.0 . 3.54 1996 1148 A 87 ARG HA A 87 ARG HGx 1.0 . 3.54 1997 1149 A 87 ARG HBy A 87 ARG HD2 1.0 . 3.62 1998 1149 A 87 ARG HBx A 87 ARG HD2 1.0 . 3.62 1999 1149 A 87 ARG HD3 A 87 ARG HBy 1.0 . 3.62 2000 1149 A 87 ARG HD3 A 87 ARG HBx 1.0 . 3.62 2001 1150 A 89 SER H A 87 ARG HBy 1.0 . 3.27 2002 1150 A 89 SER H A 87 ARG HBx 1.0 . 3.27 2003 1151 A 90 PHE HD% A 87 ARG HBy 1.0 . 5.34 2004 1151 A 90 PHE HD% A 87 ARG HBx 1.0 . 5.34 2005 1152 A 88 GLN HA A 87 ARG HGy 1.0 . 5.34 2006 1152 A 88 GLN HA A 87 ARG HGx 1.0 . 5.34 2007 1153 A 89 SER H A 87 ARG HGy 1.0 . 4.02 2008 1153 A 89 SER H A 87 ARG HGx 1.0 . 4.02 2009 1154 A 87 ARG HD3 A 97 PRO HBx 1.0 . 4.13 2010 1154 A 87 ARG HD2 A 97 PRO HBx 1.0 . 4.13 2011 1154 A 97 PRO HBy A 87 ARG HD2 1.0 . 4.13 2012 1154 A 87 ARG HD3 A 97 PRO HBy 1.0 . 4.13 2013 1155 A 88 GLN H A 88 GLN HE22 1.0 . 5.34 2014 1155 A 88 GLN H A 88 GLN HE21 1.0 . 5.34 2015 1156 A 88 GLN HE21 A 89 SER HBx 1.0 . 5.18 2016 1156 A 89 SER HBy A 88 GLN HE22 1.0 . 5.18 2017 1156 A 88 GLN HE21 A 89 SER HBy 1.0 . 5.18 2018 1156 A 88 GLN HE22 A 89 SER HBx 1.0 . 5.18 2019 1157 A 89 SER HA A 89 SER HBx 1.0 . 2.51 2020 1157 A 89 SER HA A 89 SER HBy 1.0 . 2.51 2021 1158 A 90 PHE H A 89 SER HBx 1.0 . 3.25 2022 1158 A 90 PHE H A 89 SER HBy 1.0 . 3.25 2023 1159 A 90 PHE HA A 89 SER HBx 1.0 . 4.09 2024 1159 A 90 PHE HA A 89 SER HBy 1.0 . 4.09 2025 1160 A 90 PHE HA A 91 SER HBx 1.0 . 4.39 2026 1160 A 90 PHE HA A 91 SER HBy 1.0 . 4.39 2027 1161 A 91 SER H A 90 PHE HBx 1.0 . 3.28 2028 1161 A 91 SER H A 90 PHE HBy 1.0 . 3.28 2029 1162 A 90 PHE HD% A 92 VAL HGx% 1.0 . 4.49 2030 1162 A 90 PHE HD% A 92 VAL HGy% 1.0 . 4.49 2031 1163 A 90 PHE HD% A 97 PRO HGx 1.0 . 4.58 2032 1163 A 90 PHE HD% A 97 PRO HGy 1.0 . 4.58 2033 1164 A 90 PHE HE% A 92 VAL HGx% 1.0 . 3.94 2034 1164 A 90 PHE HE% A 92 VAL HGy% 1.0 . 3.94 2035 1165 A 90 PHE HE% A 98 LEU HDy% 1.0 . 3.65 2036 1165 A 90 PHE HE% A 98 LEU HDx% 1.0 . 3.65 2037 1166 A 91 SER H A 91 SER HBx 1.0 . 3.27 2038 1166 A 91 SER H A 91 SER HBy 1.0 . 3.27 2039 1167 A 91 SER H A 92 VAL HGx% 1.0 . 5.44 2040 1167 A 91 SER H A 92 VAL HGy% 1.0 . 5.44 2041 1168 A 93 LYS H A 91 SER HBx 1.0 . 4.87 2042 1168 A 93 LYS H A 91 SER HBy 1.0 . 4.87 2043 1169 A 94 ASP H A 91 SER HBx 1.0 . 4.42 2044 1169 A 94 ASP H A 91 SER HBy 1.0 . 4.42 2045 1170 A 91 SER HBy A 94 ASP HBy 1.0 . 4.58 2046 1170 A 91 SER HBx A 94 ASP HBy 1.0 . 4.58 2047 1170 A 94 ASP HBx A 91 SER HBx 1.0 . 4.58 2048 1170 A 91 SER HBy A 94 ASP HBx 1.0 . 4.58 2049 1171 A 92 VAL H A 92 VAL HGx% 1.0 . 3.52 2050 1171 A 92 VAL H A 92 VAL HGy% 1.0 . 3.52 2051 1172 A 92 VAL HA A 92 VAL HGx% 1.0 . 2.98 2052 1172 A 92 VAL HA A 92 VAL HGy% 1.0 . 2.98 2053 1173 A 93 LYS H A 92 VAL HGx% 1.0 . 4.00 2054 1173 A 93 LYS H A 92 VAL HGy% 1.0 . 4.00 2055 1174 A 93 LYS H A 93 LYS HBx 1.0 . 3.36 2056 1174 A 93 LYS H A 93 LYS HBy 1.0 . 3.36 2057 1175 A 93 LYS H A 93 LYS HGx 1.0 . 4.17 2058 1175 A 93 LYS H A 93 LYS HGy 1.0 . 4.17 2059 1176 A 93 LYS H A 95 PRO HDy 1.0 . 4.99 2060 1176 A 93 LYS H A 95 PRO HDx 1.0 . 4.99 2061 1177 A 93 LYS HA A 93 LYS HGx 1.0 . 3.21 2062 1177 A 93 LYS HA A 93 LYS HGy 1.0 . 3.21 2063 1178 A 94 ASP H A 93 LYS HBx 1.0 . 4.21 2064 1178 A 94 ASP H A 93 LYS HBy 1.0 . 4.21 2065 1179 A 93 LYS HE3 A 93 LYS HGx 1.0 . 3.40 2066 1179 A 93 LYS HE2 A 93 LYS HGx 1.0 . 3.40 2067 1179 A 93 LYS HGy A 93 LYS HE2 1.0 . 3.40 2068 1179 A 93 LYS HE3 A 93 LYS HGy 1.0 . 3.40 2069 1180 A 94 ASP H A 93 LYS HGx 1.0 . 5.34 2070 1180 A 94 ASP H A 93 LYS HGy 1.0 . 5.34 2071 1181 A 94 ASP H A 94 ASP HBy 1.0 . 3.30 2072 1181 A 94 ASP H A 94 ASP HBx 1.0 . 3.30 2073 1182 A 94 ASP H A 95 PRO HDy 1.0 . 4.21 2074 1182 A 94 ASP H A 95 PRO HDx 1.0 . 4.21 2075 1183 A 94 ASP HA A 94 ASP HBy 1.0 . 2.63 2076 1183 A 94 ASP HA A 94 ASP HBx 1.0 . 2.63 2077 1184 A 94 ASP HA A 95 PRO HGx 1.0 . 4.58 2078 1184 A 94 ASP HA A 95 PRO HGy 1.0 . 4.58 2079 1185 A 94 ASP HA A 95 PRO HDy 1.0 . 2.78 2080 1185 A 94 ASP HA A 95 PRO HDx 1.0 . 2.78 2081 1186 A 96 SER H A 95 PRO HGx 1.0 . 3.98 2082 1186 A 96 SER H A 95 PRO HGy 1.0 . 3.98 2083 1187 A 96 SER HA A 95 PRO HGx 1.0 . 4.85 2084 1187 A 96 SER HA A 95 PRO HGy 1.0 . 4.85 2085 1188 A 99 TYR HE% A 95 PRO HGx 1.0 . 3.69 2086 1188 A 99 TYR HE% A 95 PRO HGy 1.0 . 3.69 2087 1189 A 96 SER H A 95 PRO HDy 1.0 . 3.26 2088 1189 A 96 SER H A 95 PRO HDx 1.0 . 3.26 2089 1190 A 96 SER HA A 99 TYR HBx 1.0 . 3.62 2090 1190 A 96 SER HA A 99 TYR HBy 1.0 . 3.62 2091 1191 A 97 PRO HA A 100 ASP HBy 1.0 . 3.30 2092 1191 A 97 PRO HA A 100 ASP HBx 1.0 . 3.30 2093 1192 A 98 LEU H A 97 PRO HBx 1.0 . 3.79 2094 1192 A 98 LEU H A 97 PRO HBy 1.0 . 3.79 2095 1193 A 98 LEU H A 97 PRO HGx 1.0 . 3.82 2096 1193 A 98 LEU H A 97 PRO HGy 1.0 . 3.82 2097 1194 A 99 TYR H A 97 PRO HGx 1.0 . 5.35 2098 1194 A 99 TYR H A 97 PRO HGy 1.0 . 5.35 2099 1195 A 98 LEU H A 99 TYR HBx 1.0 . 5.23 2100 1195 A 98 LEU H A 99 TYR HBy 1.0 . 5.23 2101 1196 A 98 LEU HA A 98 LEU HDy% 1.0 . 3.74 2102 1196 A 98 LEU HA A 98 LEU HDx% 1.0 . 3.74 2103 1197 A 99 TYR H A 98 LEU HBx 1.0 . 3.42 2104 1197 A 99 TYR H A 98 LEU HBy 1.0 . 3.42 2105 1198 A 99 TYR HD% A 98 LEU HBx 1.0 . 4.75 2106 1198 A 99 TYR HD% A 98 LEU HBy 1.0 . 4.75 2107 1199 A 99 TYR HE% A 98 LEU HBx 1.0 . 4.87 2108 1199 A 99 TYR HE% A 98 LEU HBy 1.0 . 4.87 2109 1200 A 99 TYR H A 98 LEU HDy% 1.0 . 4.92 2110 1200 A 99 TYR H A 98 LEU HDx% 1.0 . 4.92 2111 1201 A 99 TYR HD% A 98 LEU HDy% 1.0 . 3.86 2112 1201 A 99 TYR HD% A 98 LEU HDx% 1.0 . 3.86 2113 1202 A 99 TYR HE% A 98 LEU HDy% 1.0 . 4.39 2114 1202 A 99 TYR HE% A 98 LEU HDx% 1.0 . 4.39 2115 1203 A 101 MET HE% A 98 LEU HDy% 1.0 . 3.15 2116 1203 A 101 MET HE% A 98 LEU HDx% 1.0 . 3.15 2117 1204 A 99 TYR H A 99 TYR HBx 1.0 . 3.02 2118 1204 A 99 TYR H A 99 TYR HBy 1.0 . 3.02 2119 1205 A 99 TYR HA A 102 LEU HBx 1.0 . 4.50 2120 1205 A 99 TYR HA A 102 LEU HBy 1.0 . 4.50 2121 1206 A 100 ASP H A 99 TYR HBx 1.0 . 3.49 2122 1206 A 100 ASP H A 99 TYR HBy 1.0 . 3.49 2123 1207 A 99 TYR HD% A 102 LEU HDx% 1.0 . 3.79 2124 1207 A 99 TYR HD% A 102 LEU HDy% 1.0 . 3.79 2125 1208 A 100 ASP H A 102 LEU HDx% 1.0 . 5.20 2126 1208 A 100 ASP H A 102 LEU HDy% 1.0 . 5.20 2127 1209 A 100 ASP HA A 103 ARG HGy 1.0 . 4.91 2128 1209 A 100 ASP HA A 103 ARG HGx 1.0 . 4.91 2129 1210 A 101 MET H A 100 ASP HBy 1.0 . 3.13 2130 1210 A 101 MET H A 100 ASP HBx 1.0 . 3.13 2131 1211 A 100 ASP HBx A 103 ARG HGy 1.0 . 4.23 2132 1211 A 100 ASP HBy A 103 ARG HGy 1.0 . 4.23 2133 1211 A 103 ARG HGx A 100 ASP HBy 1.0 . 4.23 2134 1211 A 100 ASP HBx A 103 ARG HGx 1.0 . 4.23 2135 1212 A 101 MET H A 101 MET HG2 1.0 . 3.21 2136 1212 A 101 MET H A 101 MET HG3 1.0 . 3.21 2137 1213 A 101 MET HA A 104 LYS HEy 1.0 . 4.21 2138 1213 A 101 MET HA A 104 LYS HEx 1.0 . 4.21 2139 1214 A 101 MET HB3 A 104 LYS HEy 1.0 . 4.72 2140 1214 A 101 MET HB2 A 104 LYS HEy 1.0 . 4.72 2141 1214 A 104 LYS HEx A 101 MET HB2 1.0 . 4.72 2142 1214 A 101 MET HB3 A 104 LYS HEx 1.0 . 4.72 2143 1215 A 102 LEU H A 101 MET HG2 1.0 . 4.72 2144 1215 A 102 LEU H A 101 MET HG3 1.0 . 4.72 2145 1216 A 101 MET HG2 A 102 LEU HDx% 1.0 . 3.82 2146 1216 A 101 MET HG3 A 102 LEU HDx% 1.0 . 3.82 2147 1216 A 102 LEU HDy% A 101 MET HG2 1.0 . 3.82 2148 1216 A 101 MET HG3 A 102 LEU HDy% 1.0 . 3.82 2149 1217 A 101 MET HG3 A 104 LYS HEy 1.0 . 4.76 2150 1217 A 101 MET HG2 A 104 LYS HEy 1.0 . 4.76 2151 1217 A 104 LYS HEx A 101 MET HG2 1.0 . 4.76 2152 1217 A 101 MET HG3 A 104 LYS HEx 1.0 . 4.76 2153 1218 A 102 LEU H A 102 LEU HBx 1.0 . 3.34 2154 1218 A 102 LEU H A 102 LEU HBy 1.0 . 3.34 2155 1219 A 102 LEU HA A 102 LEU HDx% 1.0 . 2.88 2156 1219 A 102 LEU HA A 102 LEU HDy% 1.0 . 2.88 2157 1220 A 102 LEU HA A 105 ASN HBy 1.0 . 3.84 2158 1220 A 102 LEU HA A 105 ASN HBx 1.0 . 3.84 2159 1221 A 102 LEU HA A 106 LEU HDy% 1.0 . 4.11 2160 1221 A 102 LEU HA A 106 LEU HDx% 1.0 . 4.11 2161 1222 A 103 ARG H A 102 LEU HBx 1.0 . 3.87 2162 1222 A 103 ARG H A 102 LEU HBy 1.0 . 3.87 2163 1223 A 103 ARG HA A 102 LEU HBx 1.0 . 4.65 2164 1223 A 103 ARG HA A 102 LEU HBy 1.0 . 4.65 2165 1224 A 106 LEU H A 102 LEU HBx 1.0 . 5.26 2166 1224 A 106 LEU H A 102 LEU HBy 1.0 . 5.26 2167 1225 A 106 LEU HG A 102 LEU HBx 1.0 . 4.06 2168 1225 A 106 LEU HG A 102 LEU HBy 1.0 . 4.06 2169 1226 A 102 LEU HBx A 106 LEU HDy% 1.0 . 3.24 2170 1226 A 102 LEU HBy A 106 LEU HDy% 1.0 . 3.24 2171 1226 A 106 LEU HDx% A 102 LEU HBx 1.0 . 3.24 2172 1226 A 106 LEU HDx% A 102 LEU HBy 1.0 . 3.24 2173 1227 A 103 ARG H A 102 LEU HDx% 1.0 . 5.44 2174 1227 A 103 ARG H A 102 LEU HDy% 1.0 . 5.44 2175 1228 A 106 LEU HG A 102 LEU HDx% 1.0 . 3.15 2176 1228 A 106 LEU HG A 102 LEU HDy% 1.0 . 3.15 2177 1229 A 102 LEU HDy% A 106 LEU HDy% 1.0 . 3.00 2178 1229 A 102 LEU HDx% A 106 LEU HDy% 1.0 . 3.00 2179 1229 A 106 LEU HDx% A 102 LEU HDx% 1.0 . 3.00 2180 1229 A 102 LEU HDy% A 106 LEU HDx% 1.0 . 3.00 2181 1230 A 103 ARG H A 103 ARG HGy 1.0 . 3.45 2182 1230 A 103 ARG H A 103 ARG HGx 1.0 . 3.45 2183 1231 A 103 ARG H A 104 LYS HGx 1.0 . 4.46 2184 1231 A 103 ARG H A 104 LYS HGy 1.0 . 4.46 2185 1232 A 104 LYS H A 103 ARG HGy 1.0 . 4.61 2186 1232 A 104 LYS H A 103 ARG HGx 1.0 . 4.61 2187 1233 A 104 LYS H A 104 LYS HBx 1.0 . 3.01 2188 1233 A 104 LYS H A 104 LYS HBy 1.0 . 3.01 2189 1234 A 104 LYS H A 104 LYS HGx 1.0 . 3.68 2190 1234 A 104 LYS H A 104 LYS HGy 1.0 . 3.68 2191 1235 A 104 LYS H A 104 LYS HEy 1.0 . 4.94 2192 1235 A 104 LYS H A 104 LYS HEx 1.0 . 4.94 2193 1236 A 104 LYS H A 105 ASN HBy 1.0 . 4.41 2194 1236 A 104 LYS H A 105 ASN HBx 1.0 . 4.41 2195 1237 A 104 LYS H A 106 LEU HDy% 1.0 . 5.44 2196 1237 A 104 LYS H A 106 LEU HDx% 1.0 . 5.44 2197 1238 A 104 LYS HA A 104 LYS HBx 1.0 . 2.34 2198 1238 A 104 LYS HA A 104 LYS HBy 1.0 . 2.34 2199 1239 A 104 LYS HBx A 105 ASN HBy 1.0 . 4.82 2200 1239 A 104 LYS HBy A 105 ASN HBy 1.0 . 4.82 2201 1239 A 105 ASN HBx A 104 LYS HBx 1.0 . 4.82 2202 1239 A 104 LYS HBy A 105 ASN HBx 1.0 . 4.82 2203 1240 A 104 LYS HEx A 104 LYS HGx 1.0 . 3.30 2204 1240 A 104 LYS HEy A 104 LYS HGx 1.0 . 3.30 2205 1240 A 104 LYS HGy A 104 LYS HEy 1.0 . 3.30 2206 1240 A 104 LYS HEx A 104 LYS HGy 1.0 . 3.30 2207 1241 A 105 ASN H A 104 LYS HEy 1.0 . 4.84 2208 1241 A 105 ASN H A 104 LYS HEx 1.0 . 4.84 2209 1242 A 105 ASN HD22 A 104 LYS HEy 1.0 . 5.00 2210 1242 A 105 ASN HD21 A 104 LYS HEx 1.0 . 5.00 2211 1242 A 105 ASN HD21 A 104 LYS HEy 1.0 . 5.00 2212 1242 A 105 ASN HD22 A 104 LYS HEx 1.0 . 5.00 2213 1243 A 106 LEU H A 104 LYS HEy 1.0 . 4.70 2214 1243 A 106 LEU H A 104 LYS HEx 1.0 . 4.70 2215 1244 A 105 ASN H A 105 ASN HBy 1.0 . 3.20 2216 1244 A 105 ASN H A 105 ASN HBx 1.0 . 3.20 2217 1245 A 105 ASN H A 106 LEU HDy% 1.0 . 4.71 2218 1245 A 105 ASN H A 106 LEU HDx% 1.0 . 4.71 2219 1246 A 105 ASN HA A 105 ASN HD21 1.0 . 2.60 2220 1246 A 105 ASN HA A 105 ASN HD22 1.0 . 2.60 2221 1247 A 106 LEU H A 105 ASN HBy 1.0 . 3.20 2222 1247 A 106 LEU H A 105 ASN HBx 1.0 . 3.20 2223 1248 A 105 ASN HBx A 106 LEU HDy% 1.0 . 3.34 2224 1248 A 105 ASN HBy A 106 LEU HDy% 1.0 . 3.34 2225 1248 A 106 LEU HDx% A 105 ASN HBy 1.0 . 3.34 2226 1248 A 106 LEU HDx% A 105 ASN HBx 1.0 . 3.34 2227 1249 A 106 LEU H A 106 LEU HBx 1.0 . 3.09 2228 1249 A 106 LEU H A 106 LEU HBy 1.0 . 3.09 2229 1250 A 106 LEU H A 106 LEU HDy% 1.0 . 4.00 2230 1250 A 106 LEU H A 106 LEU HDx% 1.0 . 4.00 2231 1251 A 106 LEU HA A 106 LEU HDy% 1.0 . 3.74 2232 1251 A 106 LEU HA A 106 LEU HDx% 1.0 . 3.74 2233 1252 A 106 LEU HA A 107 VAL HGx% 1.0 . 4.67 2234 1252 A 106 LEU HA A 107 VAL HGy% 1.0 . 4.67 2235 1253 A 106 LEU HBx A 106 LEU HDy% 1.0 . 2.61 2236 1253 A 106 LEU HBy A 106 LEU HDy% 1.0 . 2.61 2237 1253 A 106 LEU HDx% A 106 LEU HBx 1.0 . 2.61 2238 1253 A 106 LEU HDx% A 106 LEU HBy 1.0 . 2.61 2239 1254 A 107 VAL H A 106 LEU HBx 1.0 . 3.76 2240 1254 A 107 VAL H A 106 LEU HBy 1.0 . 3.76 2241 1255 A 107 VAL H A 106 LEU HDy% 1.0 . 4.47 2242 1255 A 107 VAL H A 106 LEU HDx% 1.0 . 4.47 2243 1256 A 108 THR H A 106 LEU HDy% 1.0 . 4.15 2244 1256 A 108 THR H A 106 LEU HDx% 1.0 . 4.15 2245 1257 A 108 THR HB A 106 LEU HDy% 1.0 . 4.35 2246 1257 A 108 THR HB A 106 LEU HDx% 1.0 . 4.35 2247 1258 A 108 THR HG2% A 106 LEU HDy% 1.0 . 3.65 2248 1258 A 108 THR HG2% A 106 LEU HDx% 1.0 . 3.65 2249 1259 A 107 VAL H A 107 VAL HGx% 1.0 . 3.15 2250 1259 A 107 VAL H A 107 VAL HGy% 1.0 . 3.15 2251 1260 A 107 VAL HA A 107 VAL HGx% 1.0 . 2.57 2252 1260 A 107 VAL HA A 107 VAL HGy% 1.0 . 2.57 2253 1261 A 108 THR H A 107 VAL HGx% 1.0 . 4.59 2254 1261 A 108 THR H A 107 VAL HGy% 1.0 . 4.59 2255 1262 A 109 LEU H A 109 LEU HDy% 1.0 . 3.88 2256 1262 A 109 LEU H A 109 LEU HDx% 1.0 . 3.88 2257 1263 A 109 LEU HA A 109 LEU HDy% 1.0 . 2.72 2258 1263 A 109 LEU HA A 109 LEU HDx% 1.0 . 2.72 2259 1264 A 110 ALA H A 109 LEU HDy% 1.0 . 4.54 2260 1264 A 110 ALA H A 109 LEU HDx% 1.0 . 4.54 2261 1265 A 110 ALA HB% A 109 LEU HDy% 1.0 . 4.22 2262 1265 A 110 ALA HB% A 109 LEU HDx% 1.0 . 4.22 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 38 HIS H A 34 LEU O 1.0 . 2.0 2 2 A 34 LEU O A 38 HIS N 1.0 . 3.0 3 3 A 39 ALA H A 35 LYS O 1.0 . 2.0 4 4 A 35 LYS O A 39 ALA N 1.0 . 3.0 5 5 A 41 GLY H A 38 HIS O 1.0 . 2.0 6 6 A 38 HIS O A 41 GLY N 1.0 . 3.0 7 7 A 52 VAL H A 48 THR O 1.0 . 2.0 8 8 A 48 THR O A 52 VAL N 1.0 . 3.0 9 9 A 53 MET H A 49 VAL O 1.0 . 2.0 10 10 A 49 VAL O A 53 MET N 1.0 . 3.0 11 11 A 59 TYR H A 55 TYR O 1.0 . 2.0 12 12 A 55 TYR O A 59 TYR N 1.0 . 3.0 13 13 A 60 ILE H A 56 LEU O 1.0 . 2.0 14 14 A 56 LEU O A 60 ILE N 1.0 . 3.0 15 15 A 61 MET H A 57 GLY O 1.0 . 2.0 16 16 A 57 GLY O A 61 MET N 1.0 . 3.0 17 17 A 62 VAL H A 58 GLN O 1.0 . 2.0 18 18 A 58 GLN O A 62 VAL N 1.0 . 3.0 19 19 A 64 GLN H A 60 ILE O 1.0 . 2.0 20 20 A 60 ILE O A 64 GLN N 1.0 . 3.0 21 21 A 63 LYS H A 59 TYR O 1.0 . 2.0 22 22 A 59 TYR O A 63 LYS N 1.0 . 3.0 23 23 A 73 MET H A 70 GLU O 1.0 . 2.0 24 24 A 70 GLU O A 73 MET N 1.0 . 3.0 25 25 A 79 ASP H A 76 CYS O 1.0 . 2.0 26 26 A 76 CYS O A 79 ASP N 1.0 . 3.0 27 27 A 83 GLU H A 79 ASP O 1.0 . 2.0 28 28 A 79 ASP O A 83 GLU N 1.0 . 3.0 29 29 A 84 LEU H A 80 LEU O 1.0 . 2.0 30 30 A 80 LEU O A 84 LEU N 1.0 . 3.0 31 31 A 85 LEU H A 81 LEU O 1.0 . 2.0 32 32 A 81 LEU O A 85 LEU N 1.0 . 3.0 33 33 A 86 GLY H A 82 GLY O 1.0 . 2.0 34 34 A 82 GLY O A 86 GLY N 1.0 . 3.0 35 35 A 103 ARG H A 99 TYR O 1.0 . 2.0 36 36 A 99 TYR O A 103 ARG N 1.0 . 3.0 37 37 A 105 ASN H A 102 LEU O 1.0 . 2.0 38 38 A 102 LEU O A 105 ASN N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 38 HIS H A 34 LEU O 1.0 . 1.8 2 2 A 34 LEU O A 38 HIS N 1.0 . 2.7 3 3 A 39 ALA H A 35 LYS O 1.0 . 1.8 4 4 A 35 LYS O A 39 ALA N 1.0 . 2.7 5 5 A 41 GLY H A 38 HIS O 1.0 . 1.8 6 6 A 38 HIS O A 41 GLY N 1.0 . 2.7 7 7 A 52 VAL H A 48 THR O 1.0 . 1.8 8 8 A 48 THR O A 52 VAL N 1.0 . 2.7 9 9 A 53 MET H A 49 VAL O 1.0 . 1.8 10 10 A 49 VAL O A 53 MET N 1.0 . 2.7 11 11 A 59 TYR H A 55 TYR O 1.0 . 1.8 12 12 A 55 TYR O A 59 TYR N 1.0 . 2.7 13 13 A 60 ILE H A 56 LEU O 1.0 . 1.8 14 14 A 56 LEU O A 60 ILE N 1.0 . 2.7 15 15 A 61 MET H A 57 GLY O 1.0 . 1.8 16 16 A 57 GLY O A 61 MET N 1.0 . 2.7 17 17 A 62 VAL H A 58 GLN O 1.0 . 1.8 18 18 A 58 GLN O A 62 VAL N 1.0 . 2.7 19 19 A 64 GLN H A 60 ILE O 1.0 . 1.8 20 20 A 60 ILE O A 64 GLN N 1.0 . 2.7 21 21 A 63 LYS H A 59 TYR O 1.0 . 1.8 22 22 A 59 TYR O A 63 LYS N 1.0 . 2.7 23 23 A 73 MET H A 70 GLU O 1.0 . 1.8 24 24 A 70 GLU O A 73 MET N 1.0 . 2.7 25 25 A 79 ASP H A 76 CYS O 1.0 . 1.8 26 26 A 76 CYS O A 79 ASP N 1.0 . 2.7 27 27 A 83 GLU H A 79 ASP O 1.0 . 1.8 28 28 A 79 ASP O A 83 GLU N 1.0 . 2.7 29 29 A 84 LEU H A 80 LEU O 1.0 . 1.8 30 30 A 80 LEU O A 84 LEU N 1.0 . 2.7 31 31 A 85 LEU H A 81 LEU O 1.0 . 1.8 32 32 A 81 LEU O A 85 LEU N 1.0 . 2.7 33 33 A 86 GLY H A 82 GLY O 1.0 . 1.8 34 34 A 82 GLY O A 86 GLY N 1.0 . 2.7 35 35 A 102 LEU H A 98 LEU O 1.0 . 1.8 36 36 A 98 LEU O A 102 LEU N 1.0 . 2.7 37 37 A 103 ARG H A 99 TYR O 1.0 . 1.8 38 38 A 99 TYR O A 103 ARG N 1.0 . 2.7 39 39 A 105 ASN H A 102 LEU O 1.0 . 1.8 40 40 A 102 LEU O A 105 ASN N 1.0 . 2.7 41 41 A 38 HIS H A 34 LEU O 1.0 . 2.0 42 42 A 34 LEU O A 38 HIS N 1.0 . 3.0 43 43 A 39 ALA H A 35 LYS O 1.0 . 2.0 44 44 A 35 LYS O A 39 ALA N 1.0 . 3.0 45 45 A 41 GLY H A 38 HIS O 1.0 . 2.0 46 46 A 38 HIS O A 41 GLY N 1.0 . 3.0 47 47 A 52 VAL H A 48 THR O 1.0 . 2.0 48 48 A 48 THR O A 52 VAL N 1.0 . 3.0 49 49 A 53 MET H A 49 VAL O 1.0 . 2.0 50 50 A 49 VAL O A 53 MET N 1.0 . 3.0 51 51 A 59 TYR H A 55 TYR O 1.0 . 2.0 52 52 A 55 TYR O A 59 TYR N 1.0 . 3.0 53 53 A 60 ILE H A 56 LEU O 1.0 . 2.0 54 54 A 56 LEU O A 60 ILE N 1.0 . 3.0 55 55 A 61 MET H A 57 GLY O 1.0 . 2.0 56 56 A 57 GLY O A 61 MET N 1.0 . 3.0 57 57 A 62 VAL H A 58 GLN O 1.0 . 2.0 58 58 A 58 GLN O A 62 VAL N 1.0 . 3.0 59 59 A 64 GLN H A 60 ILE O 1.0 . 2.0 60 60 A 60 ILE O A 64 GLN N 1.0 . 3.0 61 61 A 63 LYS H A 59 TYR O 1.0 . 2.0 62 62 A 59 TYR O A 63 LYS N 1.0 . 3.0 63 63 A 73 MET H A 70 GLU O 1.0 . 2.0 64 64 A 70 GLU O A 73 MET N 1.0 . 3.0 65 65 A 79 ASP H A 76 CYS O 1.0 . 2.0 66 66 A 76 CYS O A 79 ASP N 1.0 . 3.0 67 67 A 83 GLU H A 79 ASP O 1.0 . 2.0 68 68 A 79 ASP O A 83 GLU N 1.0 . 3.0 69 69 A 84 LEU H A 80 LEU O 1.0 . 2.0 70 70 A 80 LEU O A 84 LEU N 1.0 . 3.0 71 71 A 85 LEU H A 81 LEU O 1.0 . 2.0 72 72 A 81 LEU O A 85 LEU N 1.0 . 3.0 73 73 A 86 GLY H A 82 GLY O 1.0 . 2.0 74 74 A 82 GLY O A 86 GLY N 1.0 . 3.0 75 75 A 102 LEU H A 98 LEU O 1.0 . 2.0 76 76 A 98 LEU O A 102 LEU N 1.0 . 3.0 77 77 A 103 ARG H A 99 TYR O 1.0 . 2.0 78 78 A 99 TYR O A 103 ARG N 1.0 . 3.0 79 79 A 105 ASN H A 102 LEU O 1.0 . 2.0 80 80 A 102 LEU O A 105 ASN N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 25 ASN C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -163.0 -68.4 PHI 2 2 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 VAL N 1.0 135.5 180.3 PSI 3 3 A 26 GLN C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -163.2 -104.2 PHI 4 4 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 ARG N 1.0 138.9 172.0 PSI 5 5 A 27 VAL C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -164.6 -87.1 PHI 6 6 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 PRO N 1.0 101.8 175.0 PSI 7 7 A 30 LYS C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -83.1 -32.5 PHI 8 8 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 PRO N 1.0 -64.9 -14.4 PSI 9 9 A 33 LEU C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -76.9 -47.1 PHI 10 10 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 LYS N 1.0 -58.7 -31.2 PSI 11 11 A 34 LEU C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -72.4 -51.7 PHI 12 12 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ILE N 1.0 -52.8 -12.9 PSI 13 13 A 35 LYS C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -77.4 -55.4 PHI 14 14 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 LEU N 1.0 -54.3 -34.3 PSI 15 15 A 36 ILE C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -70.6 -50.6 PHI 16 16 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 HIS N 1.0 -56.9 -30.8 PSI 17 17 A 37 LEU C A 38 HIS N A 38 HIS CA A 38 HIS C 1.0 -76.2 -52.0 PHI 18 18 A 38 HIS N A 38 HIS CA A 38 HIS C A 39 ALA N 1.0 -49.5 -28.4 PSI 19 19 A 38 HIS C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -80.3 -53.6 PHI 20 20 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 ALA N 1.0 -43.0 -4.1 PSI 21 21 A 39 ALA C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -118.2 -64.6 PHI 22 22 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 GLY N 1.0 -25.7 29.4 PSI 23 23 A 47 PHE N A 47 PHE CA A 47 PHE C A 48 THR N 1.0 122.2 178.4 PSI 24 24 A 47 PHE C A 48 THR N A 48 THR CA A 48 THR C 1.0 -96.3 -60.0 PHI 25 25 A 48 THR N A 48 THR CA A 48 THR C A 49 VAL N 1.0 150.6 184.4 PSI 26 26 A 48 THR C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -69.6 -47.9 PHI 27 27 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 LYS N 1.0 -53.1 -26.2 PSI 28 28 A 49 VAL C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -72.6 -48.2 PHI 29 29 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 GLU N 1.0 -50.3 -30.3 PSI 30 30 A 50 LYS C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -80.4 -52.3 PHI 31 31 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 VAL N 1.0 -58.3 -28.7 PSI 32 32 A 51 GLU C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -75.2 -52.7 PHI 33 33 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 MET N 1.0 -59.8 -29.7 PSI 34 34 A 52 VAL C A 53 MET N A 53 MET CA A 53 MET C 1.0 -73.0 -47.4 PHI 35 35 A 53 MET N A 53 MET CA A 53 MET C A 54 HIS N 1.0 -51.8 -24.0 PSI 36 36 A 53 MET C A 54 HIS N A 54 HIS CA A 54 HIS C 1.0 -74.4 -51.7 PHI 37 37 A 54 HIS N A 54 HIS CA A 54 HIS C A 55 TYR N 1.0 -59.7 -27.7 PSI 38 38 A 54 HIS C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -74.3 -54.3 PHI 39 39 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 LEU N 1.0 -53.7 -26.7 PSI 40 40 A 55 TYR C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -86.9 -50.7 PHI 41 41 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 GLY N 1.0 -58.4 -24.8 PSI 42 42 A 56 LEU C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 -74.3 -54.3 PHI 43 43 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 GLN N 1.0 -47.3 -27.3 PSI 44 44 A 57 GLY C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -75.0 -55.0 PHI 45 45 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 TYR N 1.0 -52.7 -31.8 PSI 46 46 A 58 GLN C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -74.5 -54.5 PHI 47 47 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 ILE N 1.0 -54.4 -34.4 PSI 48 48 A 59 TYR C A 60 ILE N A 60 ILE CA A 60 ILE C 1.0 -72.5 -52.5 PHI 49 49 A 60 ILE N A 60 ILE CA A 60 ILE C A 61 MET N 1.0 -55.7 -27.6 PSI 50 50 A 60 ILE C A 61 MET N A 61 MET CA A 61 MET C 1.0 -73.2 -53.1 PHI 51 51 A 61 MET N A 61 MET CA A 61 MET C A 62 VAL N 1.0 -52.8 -25.8 PSI 52 52 A 61 MET C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -78.1 -45.8 PHI 53 53 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 LYS N 1.0 -55.4 -18.7 PSI 54 54 A 62 VAL C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -115.9 -65.0 PHI 55 55 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 GLN N 1.0 -15.7 29.8 PSI 56 56 A 66 TYR C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -120.3 -55.7 PHI 57 57 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 GLN N 1.0 79.3 198.8 PSI 58 58 A 67 ASP C A 68 GLN N A 68 GLN CA A 68 GLN C 1.0 -69.7 -46.2 PHI 59 59 A 68 GLN N A 68 GLN CA A 68 GLN C A 69 GLN N 1.0 -55.3 -10.5 PSI 60 60 A 68 GLN C A 69 GLN N A 69 GLN CA A 69 GLN C 1.0 -114.5 -51.5 PHI 61 61 A 69 GLN N A 69 GLN CA A 69 GLN C A 70 GLU N 1.0 -36.5 13.6 PSI 62 62 A 79 ASP C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -68.0 -46.7 PHI 63 63 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 LEU N 1.0 -55.7 -28.2 PSI 64 64 A 82 GLY C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -82.6 -48.2 PHI 65 65 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 LEU N 1.0 -65.2 -15.2 PSI 66 66 A 88 GLN C A 89 SER N A 89 SER CA A 89 SER C 1.0 -157.1 -85.2 PHI 67 67 A 89 SER N A 89 SER CA A 89 SER C A 90 PHE N 1.0 124.9 185.8 PSI 68 68 A 89 SER C A 90 PHE N A 90 PHE CA A 90 PHE C 1.0 -193.0 -97.6 PHI 69 69 A 90 PHE N A 90 PHE CA A 90 PHE C A 91 SER N 1.0 121.2 182.6 PSI 70 70 A 90 PHE C A 91 SER N A 91 SER CA A 91 SER C 1.0 -154.6 -63.5 PHI 71 71 A 91 SER N A 91 SER CA A 91 SER C A 92 VAL N 1.0 136.6 179.6 PSI 72 72 A 91 SER C A 92 VAL N A 92 VAL CA A 92 VAL C 1.0 -77.5 -46.1 PHI 73 73 A 92 VAL N A 92 VAL CA A 92 VAL C A 93 LYS N 1.0 -51.1 2.9 PSI 74 74 A 92 VAL C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -95.0 -48.0 PHI 75 75 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 ASP N 1.0 -53.6 -0.6 PSI 76 76 A 97 PRO C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -73.9 -50.7 PHI 77 77 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 TYR N 1.0 -57.6 -22.9 PSI 78 78 A 98 LEU C A 99 TYR N A 99 TYR CA A 99 TYR C 1.0 -79.4 -46.9 PHI 79 79 A 99 TYR N A 99 TYR CA A 99 TYR C A 100 ASP N 1.0 -52.1 -29.3 PSI 80 80 A 99 TYR C A 100 ASP N A 100 ASP CA A 100 ASP C 1.0 -72.3 -52.3 PHI 81 81 A 100 ASP N A 100 ASP CA A 100 ASP C A 101 MET N 1.0 -51.5 -31.6 PSI 82 82 A 100 ASP C A 101 MET N A 101 MET CA A 101 MET C 1.0 -79.5 -53.7 PHI 83 83 A 101 MET N A 101 MET CA A 101 MET C A 102 LEU N 1.0 -49.6 -29.6 PSI 84 84 A 103 ARG C A 104 LYS N A 104 LYS CA A 104 LYS C 1.0 -105.2 -53.0 PHI 85 85 A 104 LYS N A 104 LYS CA A 104 LYS C A 105 ASN N 1.0 -44.2 -2.7 PSI 86 86 A 105 ASN C A 106 LEU N A 106 LEU CA A 106 LEU C 1.0 -155.8 -61.1 PHI 87 87 A 106 LEU N A 106 LEU CA A 106 LEU C A 107 VAL N 1.0 96.0 169.8 PSI stop_ save_