data_nef_c19718_2mje 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 19717 PDB 2mje stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 50 CYS SG 2 1 FES FE2 1 87 CYS SG 2 1 FES FE2 1 41 CYS SG 2 1 FES FE1 1 47 CYS SG 2 1 FES FE1 stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 GLU middle . . 3 A 3 GLU middle . . 4 A 4 LEU middle . . 5 A 5 LYS middle . . 6 A 6 ILE middle . . 7 A 7 THR middle . . 8 A 8 PHE middle . . 9 A 9 ILE middle . . 10 A 10 LEU middle . . 11 A 11 LYS middle . . 12 A 12 ASP middle . . 13 A 13 GLY middle . false 14 A 14 SER middle . . 15 A 15 GLN middle . . 16 A 16 LYS middle . . 17 A 17 THR middle . . 18 A 18 TYR middle . . 19 A 19 GLU middle . . 20 A 20 VAL middle . . 21 A 21 CYS middle . . 22 A 22 GLU middle . . 23 A 23 GLY middle . false 24 A 24 GLU middle . . 25 A 25 THR middle . . 26 A 26 ILE middle . . 27 A 27 LEU middle . . 28 A 28 ASP middle . . 29 A 29 ILE middle . . 30 A 30 ALA middle . . 31 A 31 GLN middle . . 32 A 32 GLY middle . false 33 A 33 HIS middle . . 34 A 34 ASN middle . . 35 A 35 LEU middle . . 36 A 36 ASP middle . . 37 A 37 MET middle . . 38 A 38 GLU middle . . 39 A 39 GLY middle . false 40 A 40 ALA middle . . 41 A 41 CYS middle -HG . 42 A 42 GLY middle . false 43 A 43 GLY middle . false 44 A 44 SER middle . . 45 A 45 CYS middle . . 46 A 46 ALA middle . . 47 A 47 CYS middle -HG . 48 A 48 SER middle . . 49 A 49 THR middle . . 50 A 50 CYS middle -HG . 51 A 51 HIS middle . . 52 A 52 VAL middle . . 53 A 53 ILE middle . . 54 A 54 VAL middle . . 55 A 55 ASP middle . . 56 A 56 PRO middle . false 57 A 57 ASP middle . . 58 A 58 TYR middle . . 59 A 59 TYR middle . . 60 A 60 ASP middle . . 61 A 61 ALA middle . . 62 A 62 LEU middle . . 63 A 63 PRO middle . false 64 A 64 GLU middle . . 65 A 65 PRO middle . false 66 A 66 GLU middle . . 67 A 67 ASP middle . . 68 A 68 ASP middle . . 69 A 69 GLU middle . . 70 A 70 ASN middle . . 71 A 71 ASP middle . . 72 A 72 MET middle . . 73 A 73 LEU middle . . 74 A 74 ASP middle . . 75 A 75 LEU middle . . 76 A 76 ALA middle . . 77 A 77 TYR middle . . 78 A 78 GLY middle . false 79 A 79 LEU middle . . 80 A 80 THR middle . . 81 A 81 GLU middle . . 82 A 82 THR middle . . 83 A 83 SER middle . . 84 A 84 ARG middle . . 85 A 85 LEU middle . . 86 A 86 GLY middle . false 87 A 87 CYS middle -HG . 88 A 88 GLN middle . . 89 A 89 ILE middle . . 90 A 90 LYS middle . . 91 A 91 MET middle . . 92 A 92 SER middle . . 93 A 93 LYS middle . . 94 A 94 ASP middle . . 95 A 95 ILE middle . . 96 A 96 ASP middle . . 97 A 97 GLY middle . false 98 A 98 ILE middle . . 99 A 99 ARG middle . . 100 A 100 VAL middle . . 101 A 101 ALA middle . . 102 A 102 LEU middle . . 103 A 103 PRO middle . false 104 A 104 GLN middle . . 105 A 105 MET middle . . 106 A 106 THR middle . . 107 A 107 ARG middle . . 108 A 108 ASN middle . . 109 A 109 VAL middle . . 110 A 110 ASN middle . . 111 A 111 ASN middle . . 112 A 112 ASN middle . . 113 A 113 ASP middle . . 114 A 114 PHE middle . . 115 A 115 SER end . . 116 B 1 FES . . . 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 2 GLU HA H 1 4.24 0.02 A 2 GLU C C 13 176.1 0.3 A 2 GLU CA C 13 56.1 0.3 A 2 GLU CB C 13 29.7 0.3 A 2 GLU CG C 13 36.2 0.3 A 3 GLU H H 1 8.51 0.02 A 3 GLU HA H 1 4.38 0.02 A 3 GLU C C 13 175.7 0.3 A 3 GLU CA C 13 57.1 0.3 A 3 GLU CB C 13 30.1 0.3 A 3 GLU N N 15 121.2 0.3 A 4 LEU H H 1 8.46 0.02 A 4 LEU HA H 1 4.55 0.02 A 4 LEU HBy H 1 1.34 0.02 A 4 LEU HBx H 1 1.04 0.02 A 4 LEU HG H 1 1.59 0.02 A 4 LEU C C 13 175.6 0.3 A 4 LEU CA C 13 53.1 0.3 A 4 LEU CB C 13 44.4 0.3 A 4 LEU CD1 C 13 26.0 0.3 A 4 LEU CD2 C 13 23.3 0.3 A 4 LEU CG C 13 26.5 0.3 A 4 LEU N N 15 122.4 0.3 A 5 LYS H H 1 8.57 0.02 A 5 LYS HA H 1 5.42 0.02 A 5 LYS HGx H 1 1.25 0.02 A 5 LYS HGy H 1 1.40 0.02 A 5 LYS C C 13 175.1 0.3 A 5 LYS CA C 13 55.0 0.3 A 5 LYS CB C 13 35.7 0.3 A 5 LYS CD C 13 29.1 0.3 A 5 LYS CE C 13 41.8 0.3 A 5 LYS CG C 13 25.4 0.3 A 5 LYS N N 15 119.3 0.3 A 6 ILE H H 1 8.16 0.02 A 6 ILE HA H 1 4.11 0.02 A 6 ILE HB H 1 1.56 0.02 A 6 ILE HG1y H 1 1.39 0.02 A 6 ILE HG1x H 1 0.17 0.02 A 6 ILE C C 13 172.5 0.3 A 6 ILE CA C 13 58.2 0.3 A 6 ILE CB C 13 40.7 0.3 A 6 ILE CD1 C 13 15.8 0.3 A 6 ILE CG1 C 13 28.6 0.3 A 6 ILE CG2 C 13 16.7 0.3 A 6 ILE N N 15 116.9 0.3 A 7 THR H H 1 8.52 0.02 A 7 THR HA H 1 5.22 0.02 A 7 THR HB H 1 3.45 0.02 A 7 THR C C 13 172.6 0.3 A 7 THR CA C 13 61.1 0.3 A 7 THR CB C 13 71.4 0.3 A 7 THR CG2 C 13 21.0 0.3 A 7 THR N N 15 123.0 0.3 A 8 PHE H H 1 9.29 0.02 A 8 PHE HA H 1 5.15 0.02 A 8 PHE HBy H 1 2.72 0.02 A 8 PHE HBx H 1 2.53 0.02 A 8 PHE C C 13 175.0 0.3 A 8 PHE CA C 13 56.3 0.3 A 8 PHE CB C 13 42.8 0.3 A 8 PHE N N 15 124.0 0.3 A 9 ILE H H 1 9.17 0.02 A 9 ILE HA H 1 4.58 0.02 A 9 ILE HB H 1 1.74 0.02 A 9 ILE HG1x H 1 0.91 0.02 A 9 ILE HG1y H 1 1.28 0.02 A 9 ILE C C 13 176.3 0.3 A 9 ILE CA C 13 60.9 0.3 A 9 ILE CB C 13 37.2 0.3 A 9 ILE CD1 C 13 13.7 0.3 A 9 ILE CG1 C 13 27.5 0.3 A 9 ILE CG2 C 13 17.8 0.3 A 9 ILE N N 15 122.7 0.3 A 10 LEU H H 1 9.10 0.02 A 10 LEU HA H 1 4.32 0.02 A 10 LEU HBy H 1 1.90 0.02 A 10 LEU HBx H 1 1.74 0.02 A 10 LEU HG H 1 1.69 0.02 A 10 LEU C C 13 179.2 0.3 A 10 LEU CA C 13 54.9 0.3 A 10 LEU CB C 13 40.2 0.3 A 10 LEU CD1 C 13 24.8 0.3 A 10 LEU CD2 C 13 23.7 0.3 A 10 LEU CG C 13 28.5 0.3 A 10 LEU N N 15 126.7 0.3 A 11 LYS H H 1 8.52 0.02 A 11 LYS HA H 1 3.96 0.02 A 11 LYS HBy H 1 1.86 0.02 A 11 LYS HBx H 1 1.76 0.02 A 11 LYS HEx H 1 2.98 0.02 A 11 LYS HEy H 1 3.08 0.02 A 11 LYS C C 13 176.8 0.3 A 11 LYS CA C 13 60.1 0.3 A 11 LYS CB C 13 31.6 0.3 A 11 LYS CD C 13 29.6 0.3 A 11 LYS CE C 13 42.4 0.3 A 11 LYS CG C 13 26.7 0.3 A 11 LYS N N 15 118.9 0.3 A 12 ASP H H 1 7.69 0.02 A 12 ASP HA H 1 4.52 0.02 A 12 ASP HBx H 1 2.53 0.02 A 12 ASP HBy H 1 3.04 0.02 A 12 ASP C C 13 177.2 0.3 A 12 ASP CA C 13 53.1 0.3 A 12 ASP CB C 13 39.9 0.3 A 12 ASP N N 15 114.4 0.3 A 13 GLY H H 1 8.10 0.02 A 13 GLY HAy H 1 4.24 0.02 A 13 GLY HAx H 1 3.47 0.02 A 13 GLY C C 13 174.3 0.3 A 13 GLY CA C 13 45.1 0.3 A 13 GLY N N 15 109.2 0.3 A 14 SER H H 1 8.11 0.02 A 14 SER HA H 1 4.28 0.02 A 14 SER HBy H 1 3.89 0.02 A 14 SER HBx H 1 3.81 0.02 A 14 SER C C 13 171.7 0.3 A 14 SER CA C 13 59.2 0.3 A 14 SER CB C 13 63.7 0.3 A 14 SER N N 15 118.0 0.3 A 15 GLN H H 1 8.33 0.02 A 15 GLN HA H 1 5.66 0.02 A 15 GLN HE21 H 1 6.71 0.02 A 15 GLN HE22 H 1 7.41 0.02 A 15 GLN HGy H 1 2.27 0.02 A 15 GLN HGx H 1 2.07 0.02 A 15 GLN C C 13 176.2 0.3 A 15 GLN CA C 13 54.4 0.3 A 15 GLN CB C 13 31.7 0.3 A 15 GLN CG C 13 34.2 0.3 A 15 GLN N N 15 116.3 0.3 A 15 GLN NE2 N 15 110.9 0.3 A 16 LYS H H 1 8.78 0.02 A 16 LYS HA H 1 4.33 0.02 A 16 LYS HBx H 1 1.40 0.02 A 16 LYS HBy H 1 1.49 0.02 A 16 LYS HDy H 1 1.72 0.02 A 16 LYS HDx H 1 1.57 0.02 A 16 LYS HEx H 1 2.85 0.02 A 16 LYS HEy H 1 2.90 0.02 A 16 LYS HGx H 1 1.21 0.02 A 16 LYS HGy H 1 1.32 0.02 A 16 LYS C C 13 174.0 0.3 A 16 LYS CA C 13 54.6 0.3 A 16 LYS CB C 13 36.7 0.3 A 16 LYS CD C 13 28.7 0.3 A 16 LYS CE C 13 42.0 0.3 A 16 LYS CG C 13 24.9 0.3 A 16 LYS N N 15 122.5 0.3 A 17 THR H H 1 8.16 0.02 A 17 THR HA H 1 5.22 0.02 A 17 THR HB H 1 3.52 0.02 A 17 THR C C 13 173.2 0.3 A 17 THR CA C 13 61.4 0.3 A 17 THR CB C 13 70.6 0.3 A 17 THR CG2 C 13 21.1 0.3 A 17 THR N N 15 0.0 0.3 A 18 TYR H H 1 9.02 0.02 A 18 TYR HA H 1 4.84 0.02 A 18 TYR HBy H 1 2.74 0.02 A 18 TYR HBx H 1 2.10 0.02 A 18 TYR CA C 13 55.7 0.3 A 18 TYR CB C 13 41.8 0.3 A 18 TYR N N 15 125.6 0.3 A 19 GLU C C 13 176.9 0.3 A 19 GLU CA C 13 55.6 0.3 A 19 GLU CB C 13 30.0 0.3 A 20 VAL H H 1 9.16 0.02 A 20 VAL HA H 1 4.84 0.02 A 20 VAL HB H 1 2.37 0.02 A 20 VAL C C 13 173.9 0.3 A 20 VAL CA C 13 59.3 0.3 A 20 VAL CB C 13 35.4 0.3 A 20 VAL CG1 C 13 22.7 0.3 A 20 VAL CG2 C 13 18.4 0.3 A 20 VAL N N 15 119.0 0.3 A 21 CYS H H 1 8.72 0.02 A 21 CYS HA H 1 4.76 0.02 A 21 CYS HBy H 1 2.91 0.02 A 21 CYS HBx H 1 2.70 0.02 A 21 CYS C C 13 174.1 0.3 A 21 CYS CA C 13 57.6 0.3 A 21 CYS CB C 13 29.9 0.3 A 21 CYS N N 15 117.5 0.3 A 22 GLU H H 1 8.54 0.02 A 22 GLU HA H 1 3.41 0.02 A 22 GLU HBx H 1 1.89 0.02 A 22 GLU HBy H 1 1.92 0.02 A 22 GLU HGy H 1 2.25 0.02 A 22 GLU HGx H 1 2.16 0.02 A 22 GLU C C 13 177.0 0.3 A 22 GLU CA C 13 57.8 0.3 A 22 GLU CB C 13 29.5 0.3 A 22 GLU CG C 13 36.3 0.3 A 22 GLU N N 15 120.9 0.3 A 23 GLY H H 1 8.72 0.02 A 23 GLY C C 13 173.7 0.3 A 23 GLY CA C 13 45.1 0.3 A 23 GLY N N 15 112.4 0.3 A 24 GLU H H 1 7.06 0.02 A 24 GLU HA H 1 4.33 0.02 A 24 GLU HGx H 1 2.18 0.02 A 24 GLU HGy H 1 2.26 0.02 A 24 GLU C C 13 177.1 0.3 A 24 GLU CA C 13 56.8 0.3 A 24 GLU CB C 13 30.8 0.3 A 24 GLU CG C 13 36.2 0.3 A 24 GLU N N 15 119.6 0.3 A 25 THR H H 1 9.08 0.02 A 25 THR HA H 1 5.51 0.02 A 25 THR HB H 1 4.58 0.02 A 25 THR C C 13 175.8 0.3 A 25 THR CA C 13 59.7 0.3 A 25 THR CB C 13 71.4 0.3 A 25 THR CG2 C 13 21.6 0.3 A 25 THR N N 15 113.6 0.3 A 26 ILE H H 1 7.86 0.02 A 26 ILE HA H 1 3.63 0.02 A 26 ILE HB H 1 2.26 0.02 A 26 ILE HG1x H 1 0.93 0.02 A 26 ILE HG1y H 1 1.48 0.02 A 26 ILE C C 13 177.4 0.3 A 26 ILE CA C 13 66.4 0.3 A 26 ILE CB C 13 35.7 0.3 A 26 ILE CD1 C 13 13.3 0.3 A 26 ILE CG1 C 13 30.8 0.3 A 26 ILE CG2 C 13 18.4 0.3 A 26 ILE N N 15 120.3 0.3 A 27 LEU H H 1 6.58 0.02 A 27 LEU HA H 1 3.75 0.02 A 27 LEU HBy H 1 1.93 0.02 A 27 LEU HBx H 1 1.36 0.02 A 27 LEU HG H 1 1.69 0.02 A 27 LEU C C 13 176.7 0.3 A 27 LEU CA C 13 57.6 0.3 A 27 LEU CB C 13 42.0 0.3 A 27 LEU CD1 C 13 25.7 0.3 A 27 LEU CD2 C 13 22.1 0.3 A 27 LEU CG C 13 27.0 0.3 A 27 LEU N N 15 117.6 0.3 A 28 ASP H H 1 7.88 0.02 A 28 ASP HA H 1 4.25 0.02 A 28 ASP HBx H 1 2.61 0.02 A 28 ASP HBy H 1 2.93 0.02 A 28 ASP C C 13 180.6 0.3 A 28 ASP CA C 13 57.7 0.3 A 28 ASP CB C 13 39.6 0.3 A 28 ASP N N 15 120.0 0.3 A 29 ILE H H 1 8.34 0.02 A 29 ILE HA H 1 3.74 0.02 A 29 ILE HB H 1 1.85 0.02 A 29 ILE HG1x H 1 1.06 0.02 A 29 ILE HG1y H 1 1.88 0.02 A 29 ILE C C 13 178.4 0.3 A 29 ILE CA C 13 64.8 0.3 A 29 ILE CB C 13 39.2 0.3 A 29 ILE CD1 C 13 15.2 0.3 A 29 ILE CG1 C 13 28.3 0.3 A 29 ILE CG2 C 13 19.0 0.3 A 29 ILE N N 15 122.1 0.3 A 30 ALA H H 1 8.43 0.02 A 30 ALA HA H 1 3.34 0.02 A 30 ALA C C 13 180.3 0.3 A 30 ALA CA C 13 55.5 0.3 A 30 ALA CB C 13 19.5 0.3 A 30 ALA N N 15 124.1 0.3 A 31 GLN H H 1 8.76 0.02 A 31 GLN HA H 1 4.16 0.02 A 31 GLN HBy H 1 2.08 0.02 A 31 GLN HBx H 1 1.93 0.02 A 31 GLN HE21 H 1 6.80 0.02 A 31 GLN HE22 H 1 7.22 0.02 A 31 GLN HGy H 1 2.57 0.02 A 31 GLN HGx H 1 2.26 0.02 A 31 GLN C C 13 180.8 0.3 A 31 GLN CA C 13 59.4 0.3 A 31 GLN CB C 13 27.9 0.3 A 31 GLN CG C 13 34.8 0.3 A 31 GLN N N 15 116.0 0.3 A 31 GLN NE2 N 15 111.0 0.3 A 32 GLY H H 1 8.22 0.02 A 32 GLY HAx H 1 3.69 0.02 A 32 GLY HAy H 1 3.73 0.02 A 32 GLY C C 13 174.4 0.3 A 32 GLY CA C 13 45.9 0.3 A 32 GLY N N 15 108.7 0.3 A 33 HIS H H 1 6.98 0.02 A 33 HIS HA H 1 4.43 0.02 A 33 HIS HBx H 1 2.00 0.02 A 33 HIS HBy H 1 3.20 0.02 A 33 HIS C C 13 172.5 0.3 A 33 HIS CA C 13 56.1 0.3 A 33 HIS CB C 13 28.2 0.3 A 33 HIS N N 15 115.0 0.3 A 34 ASN H H 1 7.70 0.02 A 34 ASN HA H 1 4.33 0.02 A 34 ASN HBy H 1 2.96 0.02 A 34 ASN HBx H 1 2.67 0.02 A 34 ASN HD21 H 1 6.69 0.02 A 34 ASN HD22 H 1 7.41 0.02 A 34 ASN C C 13 174.7 0.3 A 34 ASN CA C 13 54.8 0.3 A 34 ASN CB C 13 36.7 0.3 A 34 ASN N N 15 113.7 0.3 A 34 ASN ND2 N 15 112.1 0.3 A 35 LEU H H 1 7.98 0.02 A 35 LEU HA H 1 4.25 0.02 A 35 LEU HBy H 1 1.20 0.02 A 35 LEU HBx H 1 1.04 0.02 A 35 LEU HG H 1 1.30 0.02 A 35 LEU C C 13 177.6 0.3 A 35 LEU CA C 13 54.0 0.3 A 35 LEU CB C 13 41.9 0.3 A 35 LEU CD1 C 13 24.1 0.3 A 35 LEU CD2 C 13 21.3 0.3 A 35 LEU CG C 13 26.7 0.3 A 35 LEU N N 15 115.6 0.3 A 36 ASP H H 1 8.61 0.02 A 36 ASP HA H 1 4.43 0.02 A 36 ASP HBx H 1 2.45 0.02 A 36 ASP HBy H 1 2.67 0.02 A 36 ASP C C 13 173.8 0.3 A 36 ASP CA C 13 53.7 0.3 A 36 ASP CB C 13 38.9 0.3 A 36 ASP N N 15 120.1 0.3 A 37 MET H H 1 7.67 0.02 A 37 MET HA H 1 4.28 0.02 A 37 MET HBy H 1 1.64 0.02 A 37 MET HBx H 1 1.48 0.02 A 37 MET C C 13 173.9 0.3 A 37 MET CA C 13 55.5 0.3 A 37 MET CB C 13 35.7 0.3 A 37 MET CG C 13 31.3 0.3 A 37 MET N N 15 123.9 0.3 A 38 GLU H H 1 9.06 0.02 A 38 GLU HA H 1 4.29 0.02 A 38 GLU HBy H 1 1.85 0.02 A 38 GLU HBx H 1 1.82 0.02 A 38 GLU CA C 13 55.9 0.3 A 38 GLU CB C 13 32.1 0.3 A 38 GLU CG C 13 36.1 0.3 A 38 GLU N N 15 128.6 0.3 A 51 HIS C C 13 173.4 0.3 A 51 HIS CA C 13 55.5 0.3 A 51 HIS CB C 13 30.4 0.3 A 53 ILE H H 1 8.80 0.02 A 53 ILE HA H 1 4.01 0.02 A 53 ILE HB H 1 1.61 0.02 A 53 ILE HG1y H 1 1.09 0.02 A 53 ILE HG1x H 1 1.05 0.02 A 53 ILE C C 13 177.1 0.3 A 53 ILE CA C 13 61.4 0.3 A 53 ILE CB C 13 39.0 0.3 A 53 ILE CD1 C 13 18.1 0.3 A 53 ILE CG1 C 13 28.3 0.3 A 53 ILE CG2 C 13 14.5 0.3 A 53 ILE N N 15 122.2 0.3 A 54 VAL H H 1 8.38 0.02 A 54 VAL HA H 1 3.87 0.02 A 54 VAL HB H 1 2.47 0.02 A 54 VAL C C 13 175.2 0.3 A 54 VAL CA C 13 63.6 0.3 A 54 VAL CB C 13 32.3 0.3 A 54 VAL CG1 C 13 21.9 0.3 A 54 VAL CG2 C 13 21.3 0.3 A 54 VAL N N 15 130.2 0.3 A 55 ASP H H 1 8.16 0.02 A 55 ASP HA H 1 4.59 0.02 A 55 ASP HBy H 1 2.86 0.02 A 55 ASP HBx H 1 2.82 0.02 A 55 ASP CA C 13 53.4 0.3 A 55 ASP CB C 13 43.2 0.3 A 55 ASP N N 15 129.1 0.3 A 56 PRO HA H 1 4.17 0.02 A 56 PRO HBy H 1 2.31 0.02 A 56 PRO HBx H 1 2.02 0.02 A 56 PRO HDx H 1 3.70 0.02 A 56 PRO HDy H 1 3.91 0.02 A 56 PRO HGy H 1 2.04 0.02 A 56 PRO HGx H 1 1.93 0.02 A 56 PRO C C 13 177.6 0.3 A 56 PRO CA C 13 65.7 0.3 A 56 PRO CB C 13 32.1 0.3 A 56 PRO CD C 13 51.2 0.3 A 56 PRO CG C 13 27.3 0.3 A 57 ASP H H 1 9.11 0.02 A 57 ASP HA H 1 4.37 0.02 A 57 ASP HBy H 1 2.42 0.02 A 57 ASP HBx H 1 2.30 0.02 A 57 ASP C C 13 176.8 0.3 A 57 ASP CA C 13 56.4 0.3 A 57 ASP CB C 13 39.5 0.3 A 57 ASP N N 15 117.1 0.3 A 58 TYR H H 1 8.19 0.02 A 58 TYR HA H 1 4.36 0.02 A 58 TYR HBy H 1 2.94 0.02 A 58 TYR HBx H 1 2.60 0.02 A 58 TYR C C 13 175.9 0.3 A 58 TYR CA C 13 59.4 0.3 A 58 TYR CB C 13 41.6 0.3 A 58 TYR N N 15 115.8 0.3 A 59 TYR H H 1 7.42 0.02 A 59 TYR HA H 1 3.78 0.02 A 59 TYR HBy H 1 3.04 0.02 A 59 TYR HBx H 1 2.73 0.02 A 59 TYR CA C 13 62.8 0.3 A 59 TYR CB C 13 39.1 0.3 A 59 TYR N N 15 120.1 0.3 A 60 ASP H H 1 8.44 0.02 A 60 ASP HA H 1 4.36 0.02 A 60 ASP HBy H 1 2.69 0.02 A 60 ASP HBx H 1 2.51 0.02 A 60 ASP C C 13 175.8 0.3 A 60 ASP CA C 13 56.1 0.3 A 60 ASP CB C 13 40.2 0.3 A 60 ASP N N 15 115.2 0.3 A 61 ALA H H 1 7.30 0.02 A 61 ALA HA H 1 4.18 0.02 A 61 ALA C C 13 177.7 0.3 A 61 ALA CA C 13 52.0 0.3 A 61 ALA CB C 13 18.9 0.3 A 61 ALA N N 15 120.2 0.3 A 62 LEU H H 1 6.68 0.02 A 62 LEU HA H 1 4.29 0.02 A 62 LEU HBy H 1 1.53 0.02 A 62 LEU HBx H 1 1.14 0.02 A 62 LEU HG H 1 0.82 0.02 A 62 LEU CA C 13 52.8 0.3 A 62 LEU CB C 13 41.4 0.3 A 62 LEU CD1 C 13 26.0 0.3 A 62 LEU CD2 C 13 25.0 0.3 A 62 LEU CG C 13 27.1 0.3 A 62 LEU N N 15 118.0 0.3 A 63 PRO HA H 1 4.32 0.02 A 63 PRO HBy H 1 2.29 0.02 A 63 PRO HBx H 1 1.79 0.02 A 63 PRO HDx H 1 3.39 0.02 A 63 PRO HDy H 1 3.81 0.02 A 63 PRO HGy H 1 2.09 0.02 A 63 PRO HGx H 1 1.97 0.02 A 63 PRO C C 13 176.2 0.3 A 63 PRO CA C 13 62.4 0.3 A 63 PRO CB C 13 31.2 0.3 A 63 PRO CD C 13 50.3 0.3 A 63 PRO CG C 13 27.7 0.3 A 64 GLU H H 1 8.59 0.02 A 64 GLU HA H 1 4.18 0.02 A 64 GLU CA C 13 55.2 0.3 A 64 GLU CB C 13 28.5 0.3 A 64 GLU CG C 13 36.0 0.3 A 64 GLU N N 15 124.5 0.3 A 65 PRO HA H 1 4.17 0.02 A 65 PRO HBy H 1 2.31 0.02 A 65 PRO HBx H 1 2.00 0.02 A 65 PRO HDy H 1 3.92 0.02 A 65 PRO HDx H 1 3.69 0.02 A 65 PRO HGy H 1 2.04 0.02 A 65 PRO HGx H 1 1.93 0.02 A 65 PRO C C 13 177.6 0.3 A 65 PRO CA C 13 65.7 0.3 A 65 PRO CB C 13 31.2 0.3 A 65 PRO CD C 13 51.3 0.3 A 65 PRO CG C 13 27.3 0.3 A 66 GLU H H 1 9.08 0.02 A 66 GLU HA H 1 4.33 0.02 A 66 GLU HGy H 1 2.45 0.02 A 66 GLU HGx H 1 2.27 0.02 A 66 GLU C C 13 176.9 0.3 A 66 GLU CA C 13 55.2 0.3 A 66 GLU CB C 13 30.1 0.3 A 66 GLU CG C 13 36.0 0.3 A 66 GLU N N 15 123.3 0.3 A 67 ASP H H 1 8.69 0.02 A 67 ASP HA H 1 4.24 0.02 A 67 ASP HBy H 1 2.75 0.02 A 67 ASP HBx H 1 2.54 0.02 A 67 ASP C C 13 177.6 0.3 A 67 ASP CA C 13 58.1 0.3 A 67 ASP CB C 13 40.5 0.3 A 67 ASP N N 15 120.1 0.3 A 68 ASP H H 1 8.40 0.02 A 68 ASP HA H 1 4.24 0.02 A 68 ASP HBy H 1 2.75 0.02 A 68 ASP HBx H 1 2.67 0.02 A 68 ASP C C 13 178.2 0.3 A 68 ASP CA C 13 57.0 0.3 A 68 ASP CB C 13 38.8 0.3 A 68 ASP N N 15 116.8 0.3 A 69 GLU H H 1 7.53 0.02 A 69 GLU HA H 1 4.15 0.02 A 69 GLU HBy H 1 2.07 0.02 A 69 GLU HBx H 1 1.95 0.02 A 69 GLU C C 13 177.9 0.3 A 69 GLU CA C 13 58.9 0.3 A 69 GLU CB C 13 28.7 0.3 A 69 GLU CG C 13 34.8 0.3 A 69 GLU N N 15 123.6 0.3 A 70 ASN H H 1 7.96 0.02 A 70 ASN HA H 1 4.36 0.02 A 70 ASN HD21 H 1 6.36 0.02 A 70 ASN HD22 H 1 7.44 0.02 A 70 ASN C C 13 177.9 0.3 A 70 ASN CA C 13 56.4 0.3 A 70 ASN CB C 13 37.5 0.3 A 70 ASN N N 15 119.1 0.3 A 70 ASN ND2 N 15 110.1 0.3 A 71 ASP H H 1 8.25 0.02 A 71 ASP HA H 1 4.25 0.02 A 71 ASP HBx H 1 2.47 0.02 A 71 ASP HBy H 1 2.73 0.02 A 71 ASP C C 13 178.7 0.3 A 71 ASP CA C 13 57.3 0.3 A 71 ASP CB C 13 40.2 0.3 A 71 ASP N N 15 118.4 0.3 A 72 MET H H 1 7.24 0.02 A 72 MET HA H 1 4.37 0.02 A 72 MET C C 13 180.5 0.3 A 72 MET CA C 13 56.4 0.3 A 72 MET CB C 13 35.1 0.3 A 72 MET CG C 13 36.2 0.3 A 72 MET N N 15 117.3 0.3 A 73 LEU H H 1 8.60 0.02 A 73 LEU HA H 1 3.76 0.02 A 73 LEU HBy H 1 1.93 0.02 A 73 LEU HBx H 1 1.36 0.02 A 73 LEU HG H 1 0.92 0.02 A 73 LEU C C 13 178.4 0.3 A 73 LEU CA C 13 57.6 0.3 A 73 LEU CB C 13 40.8 0.3 A 73 LEU CD1 C 13 22.2 0.3 A 73 LEU CD2 C 13 22.0 0.3 A 73 LEU CG C 13 25.8 0.3 A 73 LEU N N 15 123.0 0.3 A 74 ASP H H 1 7.25 0.02 A 74 ASP HA H 1 4.34 0.02 A 74 ASP HBy H 1 2.67 0.02 A 74 ASP HBx H 1 2.48 0.02 A 74 ASP C C 13 177.4 0.3 A 74 ASP CA C 13 57.0 0.3 A 74 ASP CB C 13 40.9 0.3 A 74 ASP N N 15 118.5 0.3 A 75 LEU H H 1 7.00 0.02 A 75 LEU HA H 1 4.30 0.02 A 75 LEU HBy H 1 1.72 0.02 A 75 LEU HBx H 1 1.56 0.02 A 75 LEU HG H 1 1.65 0.02 A 75 LEU C C 13 177.2 0.3 A 75 LEU CA C 13 54.0 0.3 A 75 LEU CB C 13 42.3 0.3 A 75 LEU CD1 C 13 25.2 0.3 A 75 LEU CD2 C 13 22.4 0.3 A 75 LEU CG C 13 26.3 0.3 A 75 LEU N N 15 116.3 0.3 A 76 ALA H H 1 7.59 0.02 A 76 ALA HA H 1 4.10 0.02 A 76 ALA C C 13 176.9 0.3 A 76 ALA CA C 13 52.2 0.3 A 76 ALA CB C 13 17.9 0.3 A 76 ALA N N 15 124.6 0.3 A 77 TYR H H 1 8.15 0.02 A 77 TYR HA H 1 4.43 0.02 A 77 TYR HBy H 1 2.84 0.02 A 77 TYR HBx H 1 2.83 0.02 A 77 TYR C C 13 176.8 0.3 A 77 TYR CA C 13 57.6 0.3 A 77 TYR CB C 13 38.6 0.3 A 77 TYR N N 15 122.9 0.3 A 78 GLY H H 1 8.32 0.02 A 78 GLY HAy H 1 3.67 0.02 A 78 GLY HAx H 1 3.53 0.02 A 78 GLY C C 13 174.5 0.3 A 78 GLY CA C 13 46.4 0.3 A 78 GLY N N 15 112.9 0.3 A 79 LEU H H 1 7.12 0.02 A 79 LEU HA H 1 3.79 0.02 A 79 LEU HBy H 1 1.53 0.02 A 79 LEU HBx H 1 1.43 0.02 A 79 LEU HG H 1 1.46 0.02 A 79 LEU C C 13 176.7 0.3 A 79 LEU CA C 13 56.7 0.3 A 79 LEU CB C 13 42.6 0.3 A 79 LEU CD1 C 13 24.8 0.3 A 79 LEU CD2 C 13 23.5 0.3 A 79 LEU CG C 13 26.4 0.3 A 79 LEU N N 15 119.3 0.3 A 80 THR H H 1 9.24 0.02 A 80 THR HA H 1 4.86 0.02 A 80 THR HB H 1 4.35 0.02 A 80 THR C C 13 176.0 0.3 A 80 THR CA C 13 60.3 0.3 A 80 THR CB C 13 73.7 0.3 A 80 THR CG2 C 13 21.7 0.3 A 80 THR N N 15 118.5 0.3 A 81 GLU H H 1 9.02 0.02 A 81 GLU HA H 1 4.11 0.02 A 81 GLU HBx H 1 1.92 0.02 A 81 GLU HBy H 1 1.99 0.02 A 81 GLU HGy H 1 2.25 0.02 A 81 GLU HGx H 1 2.18 0.02 A 81 GLU C C 13 176.6 0.3 A 81 GLU CA C 13 58.1 0.3 A 81 GLU CB C 13 29.4 0.3 A 81 GLU CG C 13 36.4 0.3 A 81 GLU N N 15 118.0 0.3 A 82 THR H H 1 7.63 0.02 A 82 THR HA H 1 3.95 0.02 A 82 THR HB H 1 4.35 0.02 A 82 THR C C 13 174.4 0.3 A 82 THR CA C 13 59.5 0.3 A 82 THR CB C 13 66.5 0.3 A 82 THR CG2 C 13 21.3 0.3 A 82 THR N N 15 106.4 0.3 A 83 SER H H 1 6.93 0.02 A 83 SER HA H 1 5.08 0.02 A 83 SER HBy H 1 4.01 0.02 A 83 SER HBx H 1 3.82 0.02 A 83 SER C C 13 173.6 0.3 A 83 SER CA C 13 61.7 0.3 A 83 SER CB C 13 64.4 0.3 A 83 SER N N 15 121.5 0.3 A 84 ARG H H 1 9.28 0.02 A 84 ARG HA H 1 4.87 0.02 A 84 ARG HBx H 1 1.26 0.02 A 84 ARG HBy H 1 1.95 0.02 A 84 ARG HDy H 1 3.66 0.02 A 84 ARG HDx H 1 3.10 0.02 A 84 ARG HGy H 1 1.62 0.02 A 84 ARG HGx H 1 1.30 0.02 A 84 ARG C C 13 175.1 0.3 A 84 ARG CA C 13 52.0 0.3 A 84 ARG CB C 13 35.1 0.3 A 84 ARG CD C 13 39.1 0.3 A 84 ARG CG C 13 27.2 0.3 A 84 ARG N N 15 119.3 0.3 A 88 GLN HA H 1 4.43 0.02 A 88 GLN C C 13 175.2 0.3 A 88 GLN CA C 13 53.7 0.3 A 88 GLN CB C 13 29.7 0.3 A 90 LYS H H 1 8.33 0.02 A 90 LYS HA H 1 4.45 0.02 A 90 LYS HBy H 1 1.47 0.02 A 90 LYS HBx H 1 1.30 0.02 A 90 LYS HGy H 1 1.18 0.02 A 90 LYS HGx H 1 1.13 0.02 A 90 LYS C C 13 176.2 0.3 A 90 LYS CA C 13 54.2 0.3 A 90 LYS CB C 13 34.6 0.3 A 90 LYS CD C 13 29.5 0.3 A 90 LYS CE C 13 41.8 0.3 A 90 LYS CG C 13 25.5 0.3 A 90 LYS N N 15 123.7 0.3 A 91 MET H H 1 8.62 0.02 A 91 MET HA H 1 4.33 0.02 A 91 MET HGy H 1 2.41 0.02 A 91 MET HGx H 1 2.27 0.02 A 91 MET C C 13 177.0 0.3 A 91 MET CA C 13 54.5 0.3 A 91 MET CB C 13 29.9 0.3 A 91 MET CG C 13 31.8 0.3 A 91 MET N N 15 118.2 0.3 A 92 SER H H 1 6.97 0.02 A 92 SER HA H 1 4.61 0.02 A 92 SER HBy H 1 4.14 0.02 A 92 SER HBx H 1 3.76 0.02 A 92 SER C C 13 174.0 0.3 A 92 SER CA C 13 56.7 0.3 A 92 SER CB C 13 66.4 0.3 A 92 SER N N 15 117.0 0.3 A 93 LYS H H 1 9.26 0.02 A 93 LYS HA H 1 3.97 0.02 A 93 LYS HBy H 1 1.87 0.02 A 93 LYS HBx H 1 1.76 0.02 A 93 LYS HEx H 1 2.98 0.02 A 93 LYS HEy H 1 3.08 0.02 A 93 LYS HGy H 1 1.44 0.02 A 93 LYS HGx H 1 1.33 0.02 A 93 LYS C C 13 177.9 0.3 A 93 LYS CA C 13 59.4 0.3 A 93 LYS CB C 13 31.8 0.3 A 93 LYS CD C 13 29.6 0.3 A 93 LYS CE C 13 42.4 0.3 A 93 LYS CG C 13 26.6 0.3 A 93 LYS N N 15 121.7 0.3 A 94 ASP H H 1 8.02 0.02 A 94 ASP HA H 1 4.36 0.02 A 94 ASP HBx H 1 2.49 0.02 A 94 ASP HBy H 1 2.70 0.02 A 94 ASP C C 13 177.0 0.3 A 94 ASP CA C 13 56.4 0.3 A 94 ASP CB C 13 40.6 0.3 A 94 ASP N N 15 116.7 0.3 A 95 ILE H H 1 7.24 0.02 A 95 ILE HA H 1 4.66 0.02 A 95 ILE HB H 1 2.26 0.02 A 95 ILE HG1x H 1 1.19 0.02 A 95 ILE HG1y H 1 1.47 0.02 A 95 ILE C C 13 173.3 0.3 A 95 ILE CA C 13 60.0 0.3 A 95 ILE CB C 13 37.9 0.3 A 95 ILE CD1 C 13 14.9 0.3 A 95 ILE CG1 C 13 25.7 0.3 A 95 ILE CG2 C 13 17.7 0.3 A 95 ILE N N 15 109.0 0.3 A 96 ASP H H 1 6.95 0.02 A 96 ASP HA H 1 4.18 0.02 A 96 ASP HBy H 1 2.77 0.02 A 96 ASP HBx H 1 2.69 0.02 A 96 ASP C C 13 177.6 0.3 A 96 ASP CA C 13 56.4 0.3 A 96 ASP CB C 13 41.7 0.3 A 96 ASP N N 15 119.8 0.3 A 97 GLY H H 1 9.21 0.02 A 97 GLY HAx H 1 3.16 0.02 A 97 GLY HAy H 1 4.13 0.02 A 97 GLY C C 13 173.2 0.3 A 97 GLY CA C 13 45.0 0.3 A 97 GLY N N 15 118.5 0.3 A 98 ILE H H 1 7.66 0.02 A 98 ILE HA H 1 4.60 0.02 A 98 ILE HB H 1 1.74 0.02 A 98 ILE HG1y H 1 1.29 0.02 A 98 ILE HG1x H 1 0.92 0.02 A 98 ILE CA C 13 61.3 0.3 A 98 ILE CB C 13 37.4 0.3 A 98 ILE CD1 C 13 13.6 0.3 A 98 ILE CG1 C 13 27.7 0.3 A 98 ILE CG2 C 13 17.8 0.3 A 98 ILE N N 15 121.3 0.3 A 99 ARG HA H 1 5.35 0.02 A 99 ARG HBx H 1 1.51 0.02 A 99 ARG HBy H 1 1.57 0.02 A 99 ARG HGy H 1 1.46 0.02 A 99 ARG HGx H 1 1.26 0.02 A 99 ARG C C 13 174.9 0.3 A 99 ARG CA C 13 52.8 0.3 A 99 ARG CB C 13 33.2 0.3 A 99 ARG CD C 13 43.9 0.3 A 99 ARG CG C 13 26.8 0.3 A 100 VAL H H 1 8.44 0.02 A 100 VAL HA H 1 4.82 0.02 A 100 VAL HB H 1 1.60 0.02 A 100 VAL C C 13 172.3 0.3 A 100 VAL CA C 13 57.9 0.3 A 100 VAL CB C 13 35.0 0.3 A 100 VAL CG1 C 13 22.6 0.3 A 100 VAL CG2 C 13 19.0 0.3 A 100 VAL N N 15 114.9 0.3 A 101 ALA H H 1 9.04 0.02 A 101 ALA HA H 1 5.31 0.02 A 101 ALA C C 13 177.1 0.3 A 101 ALA CA C 13 49.5 0.3 A 101 ALA CB C 13 21.5 0.3 A 101 ALA N N 15 123.4 0.3 A 102 LEU H H 1 8.26 0.02 A 102 LEU HA H 1 4.57 0.02 A 102 LEU HBx H 1 1.75 0.02 A 102 LEU HBy H 1 1.89 0.02 A 102 LEU HG H 1 1.69 0.02 A 102 LEU CA C 13 54.9 0.3 A 102 LEU CB C 13 40.6 0.3 A 102 LEU CD1 C 13 24.8 0.3 A 102 LEU CD2 C 13 23.5 0.3 A 102 LEU CG C 13 28.4 0.3 A 102 LEU N N 15 120.6 0.3 A 112 ASN HA H 1 4.58 0.02 A 112 ASN HBy H 1 2.75 0.02 A 112 ASN HBx H 1 2.67 0.02 A 112 ASN C C 13 174.6 0.3 A 112 ASN CA C 13 53.1 0.3 A 112 ASN CB C 13 39.4 0.3 A 113 ASP H H 1 8.04 0.02 A 113 ASP HA H 1 4.44 0.02 A 113 ASP HBx H 1 2.40 0.02 A 113 ASP HBy H 1 2.61 0.02 A 113 ASP C C 13 175.7 0.3 A 113 ASP CA C 13 54.3 0.3 A 113 ASP CB C 13 40.8 0.3 A 113 ASP N N 15 120.3 0.3 A 114 PHE H H 1 8.11 0.02 A 114 PHE HA H 1 4.61 0.02 A 114 PHE HBy H 1 3.16 0.02 A 114 PHE HBx H 1 2.91 0.02 A 114 PHE C C 13 174.9 0.3 A 114 PHE CA C 13 57.6 0.3 A 114 PHE CB C 13 39.2 0.3 A 114 PHE N N 15 120.1 0.3 A 115 SER H H 1 7.78 0.02 A 115 SER HA H 1 4.15 0.02 A 115 SER CA C 13 60.2 0.3 A 115 SER CB C 13 64.7 0.3 A 115 SER N N 15 122.5 0.3 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 4 LEU H A 20 VAL H 1.0 . 3.99 2 2 A 4 LEU H A 20 VAL HG21 1.0 . 4.76 3 3 A 4 LEU H A 21 CYS HA 1.0 . 5.17 4 4 A 4 LEU H A 4 LEU HBy 1.0 . 3.80 5 5 A 4 LEU H A 4 LEU HG 1.0 . 3.78 6 6 A 4 LEU H A 4 LEU HD11 1.0 . 4.75 7 7 A 4 LEU H A 4 LEU HD21 1.0 . 4.93 8 8 A 20 VAL HG21 A 4 LEU HA 1.0 . 5.60 9 9 A 4 LEU HD11 A 4 LEU HA 1.0 . 4.98 10 10 A 4 LEU HD21 A 4 LEU HA 1.0 . 3.57 11 11 A 4 LEU HA A 5 LYS H 1.0 . 3.32 12 12 A 4 LEU HA A 97 GLY H 1.0 . 5.17 13 13 A 20 VAL HG21 A 4 LEU HBy 1.0 . 3.57 14 14 A 21 CYS HA A 4 LEU HBy 1.0 . 4.32 15 15 A 4 LEU HBy A 22 GLU H 1.0 . 5.50 16 16 A 4 LEU HBy A 22 GLU HA 1.0 . 5.50 17 17 A 4 LEU HBy A 4 LEU HD11 1.0 . 4.05 18 18 A 20 VAL H A 4 LEU HBx 1.0 . 5.50 19 19 A 4 LEU HD11 A 4 LEU HBx 1.0 . 3.36 20 20 A 5 LYS H A 4 LEU HBx 1.0 . 3.56 21 21 A 4 LEU HBx A 96 ASP HA 1.0 . 4.70 22 22 A 97 GLY H A 4 LEU HBx 1.0 . 5.36 23 23 A 4 LEU HG A 22 GLU H 1.0 . 4.28 24 24 A 20 VAL H A 4 LEU HD11 1.0 . 5.50 25 25 A 21 CYS HA A 4 LEU HD11 1.0 . 4.33 26 26 A 4 LEU HD11 A 22 GLU H 1.0 . 4.55 27 27 A 4 LEU HD11 A 22 GLU HA 1.0 . 3.68 28 28 A 4 LEU HD11 A 22 GLU HGy 1.0 . 4.19 29 29 A 4 LEU HD11 A 22 GLU HBx 1.0 . 3.75 30 29 A 4 LEU HD11 A 22 GLU HBy 1.0 . 3.75 31 30 A 4 LEU HD11 A 23 GLY H 1.0 . 4.86 32 31 A 4 LEU HD11 A 24 GLU H 1.0 . 5.50 33 32 A 4 LEU HD11 A 91 MET H 1.0 . 5.21 34 33 A 4 LEU HD11 A 91 MET HA 1.0 . 4.62 35 34 A 4 LEU HD11 A 91 MET HGy 1.0 . 5.02 36 35 A 4 LEU HD11 A 91 MET HBx 1.0 . 4.36 37 35 A 4 LEU HD11 A 91 MET HBy 1.0 . 4.36 38 36 A 4 LEU HD11 A 92 SER H 1.0 . 4.42 39 37 A 4 LEU HD11 A 92 SER HA 1.0 . 4.25 40 38 A 4 LEU HD11 A 93 LYS H 1.0 . 4.92 41 39 A 4 LEU HD11 A 93 LYS HA 1.0 . 4.78 42 40 A 4 LEU HD11 A 94 ASP H 1.0 . 5.50 43 41 A 4 LEU HD11 A 95 ILE H 1.0 . 5.50 44 42 A 4 LEU HD11 A 95 ILE HG1x 1.0 . 3.87 45 43 A 4 LEU HD21 A 22 GLU H 1.0 . 5.50 46 44 A 4 LEU HD21 A 22 GLU HA 1.0 . 5.45 47 45 A 4 LEU HD21 A 22 GLU HBx 1.0 . 4.03 48 45 A 4 LEU HD21 A 22 GLU HBy 1.0 . 4.03 49 46 A 4 LEU HD21 A 93 LYS H 1.0 . 5.44 50 47 A 4 LEU HD21 A 93 LYS HA 1.0 . 3.44 51 48 A 4 LEU HD21 A 95 ILE H 1.0 . 5.50 52 49 A 4 LEU HD21 A 96 ASP H 1.0 . 4.79 53 50 A 4 LEU HD21 A 96 ASP HA 1.0 . 4.45 54 51 A 4 LEU HD21 A 96 ASP HBy 1.0 . 4.49 55 52 A 4 LEU HD21 A 96 ASP HBx 1.0 . 4.12 56 53 A 4 LEU HD21 A 97 GLY H 1.0 . 4.91 57 54 A 5 LYS H A 5 LYS HGy 1.0 . 3.44 58 55 A 5 LYS H A 96 ASP HA 1.0 . 4.08 59 56 A 5 LYS H A 97 GLY H 1.0 . 4.57 60 57 A 5 LYS HA A 18 TYR H 1.0 . 5.04 61 58 A 5 LYS HA A 18 TYR HBx 1.0 . 5.50 62 59 A 20 VAL H A 5 LYS HA 1.0 . 4.43 63 60 A 5 LYS HA A 20 VAL HG11 1.0 . 5.50 64 61 A 20 VAL HG21 A 5 LYS HA 1.0 . 4.86 65 62 A 5 LYS HGy A 5 LYS HA 1.0 . 4.02 66 63 A 5 LYS HA A 5 LYS HDx 1.0 . 4.09 67 63 A 5 LYS HA A 5 LYS HDy 1.0 . 4.09 68 64 A 5 LYS HA A 6 ILE H 1.0 . 3.00 69 65 A 5 LYS HA A 6 ILE HG21 1.0 . 4.62 70 66 A 96 ASP HA A 5 LYS HGx 1.0 . 5.50 71 67 A 97 GLY H A 5 LYS HGx 1.0 . 5.50 72 68 A 5 LYS HGy A 5 LYS HDx 1.0 . 2.40 73 68 A 5 LYS HGy A 5 LYS HDy 1.0 . 2.40 74 69 A 97 GLY H A 5 LYS HGy 1.0 . 5.50 75 70 A 5 LYS HGy A 97 GLY HAx 1.0 . 3.41 76 71 A 6 ILE H A 5 LYS HBx 1.0 . 4.10 77 71 A 6 ILE H A 5 LYS HBy 1.0 . 4.10 78 72 A 6 ILE H A 5 LYS HDx 1.0 . 4.08 79 72 A 5 LYS HDy A 6 ILE H 1.0 . 4.08 80 73 A 7 THR HB A 5 LYS HEx 1.0 . 5.27 81 73 A 5 LYS HEy A 7 THR HB 1.0 . 5.27 82 74 A 97 GLY HAx A 5 LYS HEx 1.0 . 4.97 83 74 A 97 GLY HAx A 5 LYS HEy 1.0 . 4.97 84 75 A 97 GLY HAy A 5 LYS HEx 1.0 . 4.07 85 75 A 5 LYS HEy A 97 GLY HAy 1.0 . 4.07 86 76 A 18 TYR H A 6 ILE H 1.0 . 3.83 87 77 A 18 TYR HBx A 6 ILE H 1.0 . 5.16 88 78 A 20 VAL H A 6 ILE H 1.0 . 5.05 89 79 A 20 VAL HG11 A 6 ILE H 1.0 . 5.02 90 80 A 20 VAL HG21 A 6 ILE H 1.0 . 4.93 91 81 A 6 ILE H A 29 ILE HD11 1.0 . 5.48 92 82 A 6 ILE H A 6 ILE HB 1.0 . 3.94 93 83 A 6 ILE H A 6 ILE HG1x 1.0 . 5.50 94 84 A 6 ILE H A 6 ILE HD11 1.0 . 5.50 95 85 A 6 ILE H A 6 ILE HG21 1.0 . 3.47 96 86 A 6 ILE H A 7 THR H 1.0 . 5.11 97 87 A 20 VAL HG21 A 6 ILE HB 1.0 . 4.40 98 88 A 6 ILE HB A 6 ILE HD11 1.0 . 3.68 99 89 A 6 ILE HB A 7 THR H 1.0 . 4.59 100 90 A 6 ILE HB A 8 PHE HE% 1.0 . 4.99 101 91 A 6 ILE HB A 91 MET HGx 1.0 . 4.35 102 92 A 6 ILE HG1y A 100 VAL H 1.0 . 5.20 103 93 A 7 THR H A 6 ILE HG1y 1.0 . 3.97 104 94 A 6 ILE HG1y A 7 THR HA 1.0 . 5.50 105 95 A 7 THR HB A 6 ILE HG1y 1.0 . 5.50 106 96 A 6 ILE HG1y A 8 PHE HA 1.0 . 5.50 107 97 A 6 ILE HG1y A 8 PHE HZ 1.0 . 5.14 108 98 A 6 ILE HG1y A 99 ARG HA 1.0 . 4.91 109 99 A 6 ILE HG1x A 29 ILE HB 1.0 . 5.20 110 100 A 29 ILE HD11 A 6 ILE HG1x 1.0 . 4.16 111 101 A 6 ILE HG1x A 35 LEU HD11 1.0 . 5.22 112 102 A 6 ILE HG1x A 7 THR H 1.0 . 3.89 113 103 A 6 ILE HG1x A 7 THR HA 1.0 . 5.50 114 104 A 6 ILE HG1x A 8 PHE H 1.0 . 5.28 115 105 A 6 ILE HG1x A 8 PHE HE% 1.0 . 5.50 116 106 A 6 ILE HD11 A 100 VAL H 1.0 . 5.50 117 107 A 6 ILE HD11 A 100 VAL HG11 1.0 . 3.92 118 108 A 6 ILE HD11 A 20 VAL HB 1.0 . 5.50 119 109 A 6 ILE HD11 A 26 ILE H 1.0 . 5.50 120 110 A 6 ILE HD11 A 26 ILE HA 1.0 . 4.56 121 111 A 6 ILE HD11 A 26 ILE HB 1.0 . 5.38 122 112 A 6 ILE HD11 A 26 ILE HG1x 1.0 . 4.23 123 113 A 6 ILE HD11 A 26 ILE HG1y 1.0 . 4.52 124 114 A 6 ILE HD11 A 26 ILE HG21 1.0 . 4.02 125 115 A 6 ILE HD11 A 29 ILE HB 1.0 . 5.11 126 116 A 6 ILE HD11 A 29 ILE HG1x 1.0 . 5.13 127 117 A 29 ILE HD11 A 6 ILE HD11 1.0 . 3.70 128 118 A 6 ILE HD11 A 35 LEU HD11 1.0 . 5.50 129 119 A 6 ILE HD11 A 7 THR H 1.0 . 4.81 130 120 A 6 ILE HD11 A 7 THR HA 1.0 . 5.50 131 121 A 6 ILE HD11 A 8 PHE H 1.0 . 5.50 132 122 A 6 ILE HD11 A 8 PHE HA 1.0 . 5.50 133 123 A 6 ILE HD11 A 8 PHE HD% 1.0 . 4.15 134 124 A 91 MET HGy A 6 ILE HD11 1.0 . 5.50 135 125 A 6 ILE HD11 A 91 MET HGx 1.0 . 5.27 136 126 A 6 ILE HD11 A 91 MET HBx 1.0 . 5.50 137 126 A 91 MET HBy A 6 ILE HD11 1.0 . 5.50 138 127 A 6 ILE HD11 A 99 ARG HA 1.0 . 5.50 139 128 A 18 TYR H A 6 ILE HG21 1.0 . 4.16 140 129 A 6 ILE HG21 A 18 TYR HBy 1.0 . 4.47 141 130 A 18 TYR HBx A 6 ILE HG21 1.0 . 3.88 142 131 A 6 ILE HG21 A 18 TYR HD% 1.0 . 4.12 143 132 A 20 VAL H A 6 ILE HG21 1.0 . 5.41 144 133 A 6 ILE HG21 A 20 VAL HA 1.0 . 5.22 145 134 A 6 ILE HG21 A 20 VAL HB 1.0 . 5.22 146 135 A 20 VAL HG21 A 6 ILE HG21 1.0 . 3.52 147 136 A 6 ILE HG21 A 29 ILE HB 1.0 . 3.62 148 137 A 6 ILE HG21 A 6 ILE HG1x 1.0 . 4.16 149 138 A 6 ILE HG21 A 6 ILE HD11 1.0 . 3.79 150 139 A 6 ILE HG21 A 8 PHE HZ 1.0 . 5.50 151 140 A 6 ILE HG21 A 8 PHE HD% 1.0 . 4.00 152 141 A 6 ILE HG21 A 8 PHE HE% 1.0 . 5.18 153 142 A 6 ILE HG21 A 91 MET HGx 1.0 . 5.50 154 143 A 18 TYR H A 7 THR H 1.0 . 5.50 155 144 A 7 THR HB A 7 THR H 1.0 . 3.66 156 145 A 7 THR H A 7 THR HG21 1.0 . 5.05 157 146 A 7 THR H A 8 PHE H 1.0 . 5.49 158 147 A 7 THR H A 8 PHE HA 1.0 . 5.50 159 148 A 7 THR H A 8 PHE HD% 1.0 . 5.45 160 149 A 7 THR H A 98 ILE HD11 1.0 . 4.80 161 150 A 7 THR H A 99 ARG HA 1.0 . 4.00 162 151 A 7 THR H A 99 ARG HGy 1.0 . 4.84 163 152 A 100 VAL H A 7 THR HA 1.0 . 5.50 164 153 A 7 THR HA A 16 LYS H 1.0 . 4.86 165 154 A 7 THR HA A 16 LYS HBy 1.0 . 5.50 166 155 A 7 THR HA A 17 THR HA 1.0 . 5.50 167 156 A 18 TYR H A 7 THR HA 1.0 . 3.80 168 157 A 7 THR HA A 7 THR HG21 1.0 . 3.73 169 158 A 7 THR HA A 8 PHE H 1.0 . 2.99 170 159 A 7 THR HA A 8 PHE HBy 1.0 . 5.09 171 160 A 7 THR HA A 8 PHE HBx 1.0 . 5.50 172 161 A 7 THR HA A 8 PHE HD% 1.0 . 4.45 173 162 A 8 PHE HE% A 7 THR HA 1.0 . 5.50 174 163 A 7 THR HB A 100 VAL H 1.0 . 4.52 175 164 A 7 THR HB A 100 VAL HG21 1.0 . 5.50 176 165 A 7 THR HB A 8 PHE H 1.0 . 5.36 177 166 A 7 THR HB A 8 PHE HA 1.0 . 5.50 178 167 A 7 THR HB A 98 ILE HD11 1.0 . 5.50 179 168 A 7 THR HB A 99 ARG HA 1.0 . 3.80 180 169 A 7 THR HB A 99 ARG HBx 1.0 . 3.86 181 170 A 7 THR HB A 99 ARG HBy 1.0 . 4.33 182 171 A 7 THR HB A 99 ARG HGy 1.0 . 4.11 183 172 A 7 THR HB A 99 ARG HGx 1.0 . 3.96 184 173 A 7 THR HB A 99 ARG HDx 1.0 . 4.71 185 173 A 7 THR HB A 99 ARG HDy 1.0 . 4.71 186 174 A 100 VAL H A 7 THR HG21 1.0 . 5.17 187 175 A 7 THR HG21 A 15 GLN HA 1.0 . 4.21 188 176 A 7 THR HG21 A 15 GLN HGx 1.0 . 3.94 189 177 A 7 THR HG21 A 15 GLN HBx 1.0 . 3.72 190 177 A 7 THR HG21 A 15 GLN HBy 1.0 . 3.72 191 178 A 7 THR HG21 A 16 LYS H 1.0 . 4.37 192 179 A 7 THR HG21 A 17 THR H 1.0 . 5.50 193 180 A 8 PHE H A 7 THR HG21 1.0 . 3.79 194 181 A 8 PHE HA A 7 THR HG21 1.0 . 4.68 195 182 A 7 THR HG21 A 8 PHE HBy 1.0 . 5.46 196 183 A 7 THR HG21 A 8 PHE HBx 1.0 . 5.17 197 184 A 99 ARG HA A 7 THR HG21 1.0 . 4.80 198 185 A 7 THR HG21 A 99 ARG HDx 1.0 . 4.30 199 185 A 7 THR HG21 A 99 ARG HDy 1.0 . 4.30 200 186 A 7 THR HG21 A 9 ILE H 1.0 . 4.32 201 187 A 8 PHE H A 100 VAL HG21 1.0 . 5.50 202 188 A 8 PHE H A 102 LEU HD11 1.0 . 5.50 203 188 A 8 PHE H A 102 LEU HD21 1.0 . 5.50 204 189 A 8 PHE H A 15 GLN HA 1.0 . 5.37 205 190 A 8 PHE H A 16 LYS H 1.0 . 4.13 206 191 A 8 PHE H A 16 LYS HBx 1.0 . 5.50 207 192 A 18 TYR H A 8 PHE H 1.0 . 5.01 208 193 A 8 PHE H A 18 TYR HD% 1.0 . 5.50 209 194 A 35 LEU HD11 A 8 PHE H 1.0 . 5.50 210 195 A 8 PHE H A 8 PHE HBy 1.0 . 3.60 211 196 A 8 PHE H A 8 PHE HBx 1.0 . 3.89 212 197 A 8 PHE H A 8 PHE HD% 1.0 . 3.79 213 198 A 8 PHE HE% A 8 PHE H 1.0 . 5.50 214 199 A 8 PHE H A 99 ARG HGy 1.0 . 5.39 215 200 A 8 PHE H A 9 ILE H 1.0 . 4.84 216 201 A 100 VAL H A 8 PHE HA 1.0 . 3.83 217 202 A 8 PHE HA A 100 VAL HG11 1.0 . 5.45 218 203 A 8 PHE HA A 100 VAL HG21 1.0 . 3.94 219 204 A 8 PHE HA A 101 ALA H 1.0 . 5.48 220 205 A 8 PHE HA A 101 ALA HA 1.0 . 4.34 221 206 A 8 PHE HA A 102 LEU HD11 1.0 . 4.73 222 206 A 8 PHE HA A 102 LEU HD21 1.0 . 4.73 223 207 A 8 PHE HA A 16 LYS H 1.0 . 5.50 224 208 A 8 PHE HA A 35 LEU HD11 1.0 . 5.50 225 209 A 8 PHE HA A 8 PHE HD% 1.0 . 3.87 226 210 A 8 PHE HA A 99 ARG HGx 1.0 . 5.06 227 211 A 8 PHE HA A 9 ILE H 1.0 . 2.86 228 212 A 8 PHE HA A 9 ILE HA 1.0 . 4.52 229 213 A 8 PHE HA A 9 ILE HB 1.0 . 4.64 230 214 A 8 PHE HA A 9 ILE HG1y 1.0 . 5.09 231 215 A 8 PHE HA A 9 ILE HD11 1.0 . 5.50 232 216 A 8 PHE HBy A 100 VAL HG21 1.0 . 5.50 233 217 A 8 PHE HBy A 102 LEU HD11 1.0 . 3.57 234 218 A 8 PHE HBy A 102 LEU HD11 1.0 . 3.71 235 218 A 8 PHE HBy A 102 LEU HD21 1.0 . 3.71 236 219 A 16 LYS H A 8 PHE HBy 1.0 . 4.83 237 220 A 8 PHE HBy A 16 LYS HBx 1.0 . 5.43 238 221 A 16 LYS HBy A 8 PHE HBy 1.0 . 4.88 239 222 A 35 LEU HD11 A 8 PHE HBy 1.0 . 4.30 240 223 A 8 PHE HBy A 9 ILE H 1.0 . 4.64 241 224 A 8 PHE HBx A 100 VAL HG21 1.0 . 5.50 242 225 A 8 PHE HBx A 102 LEU HG 1.0 . 4.68 243 226 A 8 PHE HBx A 102 LEU HD11 1.0 . 4.19 244 227 A 8 PHE HBx A 102 LEU HD11 1.0 . 3.96 245 227 A 8 PHE HBx A 102 LEU HD21 1.0 . 3.96 246 228 A 16 LYS H A 8 PHE HBx 1.0 . 5.50 247 229 A 35 LEU HD11 A 8 PHE HBx 1.0 . 4.40 248 230 A 8 PHE HBx A 9 ILE H 1.0 . 4.20 249 231 A 8 PHE HZ A 18 TYR HBy 1.0 . 5.50 250 232 A 18 TYR HBx A 8 PHE HZ 1.0 . 5.50 251 233 A 8 PHE HZ A 18 TYR HD% 1.0 . 4.03 252 234 A 8 PHE HZ A 29 ILE HG21 1.0 . 3.78 253 235 A 8 PHE HZ A 30 ALA HA 1.0 . 5.30 254 236 A 8 PHE HZ A 30 ALA HB1 1.0 . 5.50 255 237 A 8 PHE HZ A 35 LEU HD11 1.0 . 5.50 256 238 A 8 PHE HD% A 100 VAL HB 1.0 . 5.11 257 239 A 100 VAL HG11 A 8 PHE HD% 1.0 . 4.82 258 240 A 8 PHE HD% A 100 VAL HG21 1.0 . 3.64 259 241 A 8 PHE HD% A 102 LEU HD11 1.0 . 3.88 260 241 A 8 PHE HD% A 102 LEU HD21 1.0 . 3.88 261 242 A 8 PHE HD% A 16 LYS H 1.0 . 5.50 262 243 A 8 PHE HD% A 16 LYS HBx 1.0 . 3.86 263 244 A 8 PHE HD% A 16 LYS HBy 1.0 . 4.66 264 245 A 18 TYR H A 8 PHE HD% 1.0 . 5.26 265 246 A 18 TYR HBx A 8 PHE HD% 1.0 . 5.49 266 247 A 26 ILE HA A 8 PHE HD% 1.0 . 5.10 267 248 A 26 ILE HG21 A 8 PHE HD% 1.0 . 3.13 268 249 A 29 ILE HB A 8 PHE HD% 1.0 . 4.55 269 250 A 8 PHE HD% A 30 ALA H 1.0 . 4.99 270 251 A 8 PHE HD% A 30 ALA HA 1.0 . 4.30 271 252 A 8 PHE HD% A 30 ALA HB1 1.0 . 3.79 272 253 A 35 LEU HD11 A 8 PHE HD% 1.0 . 3.89 273 254 A 8 PHE HD% A 35 LEU HD21 1.0 . 4.85 274 255 A 8 PHE HD% A 9 ILE H 1.0 . 4.82 275 256 A 8 PHE HE% A 102 LEU HD11 1.0 . 4.82 276 256 A 8 PHE HE% A 102 LEU HD21 1.0 . 4.82 277 257 A 18 TYR H A 8 PHE HE% 1.0 . 5.50 278 258 A 8 PHE HE% A 18 TYR HBy 1.0 . 4.08 279 259 A 18 TYR HBx A 8 PHE HE% 1.0 . 4.58 280 260 A 8 PHE HE% A 18 TYR HD% 1.0 . 2.74 281 261 A 8 PHE HE% A 29 ILE HG21 1.0 . 4.74 282 262 A 8 PHE HE% A 30 ALA HA 1.0 . 4.97 283 263 A 8 PHE HE% A 35 LEU HD11 1.0 . 3.47 284 264 A 100 VAL H A 9 ILE H 1.0 . 4.64 285 265 A 9 ILE H A 100 VAL HB 1.0 . 5.26 286 266 A 100 VAL HG21 A 9 ILE H 1.0 . 4.81 287 267 A 9 ILE H A 101 ALA HA 1.0 . 3.35 288 268 A 9 ILE H A 102 LEU H 1.0 . 4.13 289 269 A 9 ILE H A 102 LEU HBy 1.0 . 5.50 290 270 A 9 ILE H A 10 LEU H 1.0 . 4.70 291 271 A 15 GLN HA A 9 ILE H 1.0 . 5.50 292 272 A 9 ILE H A 9 ILE HB 1.0 . 3.56 293 273 A 9 ILE H A 9 ILE HG1x 1.0 . 3.98 294 274 A 9 ILE H A 9 ILE HG1y 1.0 . 3.85 295 275 A 9 ILE H A 9 ILE HD11 1.0 . 4.85 296 276 A 9 ILE H A 9 ILE HG21 1.0 . 5.10 297 277 A 101 ALA HA A 9 ILE HA 1.0 . 5.50 298 278 A 9 ILE HA A 10 LEU H 1.0 . 3.08 299 279 A 9 ILE HA A 10 LEU HD21 1.0 . 5.09 300 280 A 15 GLN HA A 9 ILE HA 1.0 . 3.52 301 281 A 9 ILE HA A 15 GLN HE22 1.0 . 5.50 302 282 A 15 GLN HGx A 9 ILE HA 1.0 . 4.00 303 283 A 16 LYS H A 9 ILE HA 1.0 . 4.55 304 284 A 9 ILE HA A 9 ILE HG1y 1.0 . 3.84 305 285 A 9 ILE HA A 9 ILE HD11 1.0 . 4.53 306 286 A 9 ILE HA A 9 ILE HG21 1.0 . 3.49 307 287 A 100 VAL HG21 A 9 ILE HB 1.0 . 5.50 308 288 A 101 ALA HA A 9 ILE HB 1.0 . 3.22 309 289 A 9 ILE HB A 101 ALA HB1 1.0 . 3.13 310 290 A 9 ILE HB A 102 LEU H 1.0 . 4.05 311 291 A 9 ILE HB A 10 LEU H 1.0 . 4.31 312 292 A 9 ILE HB A 9 ILE HD11 1.0 . 3.85 313 293 A 101 ALA HA A 9 ILE HG1x 1.0 . 3.92 314 294 A 9 ILE HG1x A 15 GLN HGy 1.0 . 4.94 315 295 A 15 GLN HGx A 9 ILE HG1x 1.0 . 4.95 316 296 A 9 ILE HG1x A 99 ARG HDx 1.0 . 3.68 317 296 A 99 ARG HDy A 9 ILE HG1x 1.0 . 3.68 318 297 A 15 GLN HA A 9 ILE HG1y 1.0 . 5.50 319 298 A 15 GLN HGx A 9 ILE HG1y 1.0 . 5.49 320 299 A 101 ALA HA A 9 ILE HD11 1.0 . 4.63 321 300 A 9 ILE HD11 A 101 ALA HB1 1.0 . 4.11 322 301 A 9 ILE HD11 A 10 LEU H 1.0 . 5.49 323 302 A 15 GLN HA A 9 ILE HD11 1.0 . 5.50 324 303 A 9 ILE HD11 A 15 GLN HE21 1.0 . 5.50 325 304 A 9 ILE HD11 A 15 GLN HE22 1.0 . 5.50 326 305 A 15 GLN HGx A 9 ILE HD11 1.0 . 5.24 327 306 A 99 ARG HGy A 9 ILE HD11 1.0 . 4.29 328 307 A 9 ILE HD11 A 99 ARG HDx 1.0 . 4.05 329 307 A 99 ARG HDy A 9 ILE HD11 1.0 . 4.05 330 308 A 102 LEU H A 9 ILE HG21 1.0 . 4.58 331 309 A 10 LEU H A 9 ILE HG21 1.0 . 4.04 332 310 A 9 ILE HG21 A 10 LEU HA 1.0 . 5.06 333 311 A 9 ILE HG21 A 10 LEU HBy 1.0 . 4.47 334 312 A 9 ILE HG21 A 11 LYS HA 1.0 . 5.50 335 313 A 9 ILE HG21 A 13 GLY H 1.0 . 4.30 336 314 A 9 ILE HG21 A 13 GLY HAy 1.0 . 3.91 337 315 A 9 ILE HG21 A 13 GLY HAx 1.0 . 4.00 338 316 A 9 ILE HG21 A 15 GLN HE22 1.0 . 4.91 339 317 A 9 ILE HG21 A 99 ARG HDx 1.0 . 4.81 340 317 A 99 ARG HDy A 9 ILE HG21 1.0 . 4.81 341 318 A 9 ILE HG1y A 9 ILE HG21 1.0 . 3.89 342 319 A 10 LEU H A 10 LEU HBy 1.0 . 3.65 343 320 A 10 LEU H A 10 LEU HBx 1.0 . 3.89 344 321 A 10 LEU H A 10 LEU HG 1.0 . 3.68 345 322 A 10 LEU H A 10 LEU HD11 1.0 . 4.09 346 322 A 10 LEU H A 10 LEU HD21 1.0 . 4.09 347 323 A 10 LEU H A 11 LYS H 1.0 . 5.11 348 324 A 10 LEU H A 13 GLY HAx 1.0 . 5.50 349 325 A 10 LEU H A 14 SER H 1.0 . 4.73 350 326 A 10 LEU H A 14 SER HA 1.0 . 5.24 351 327 A 10 LEU H A 14 SER HBx 1.0 . 5.50 352 328 A 10 LEU H A 15 GLN H 1.0 . 5.50 353 329 A 15 GLN HA A 10 LEU H 1.0 . 4.11 354 330 A 16 LYS H A 10 LEU H 1.0 . 5.27 355 331 A 10 LEU HA A 10 LEU HD21 1.0 . 3.10 356 332 A 10 LEU HA A 10 LEU HD11 1.0 . 3.11 357 332 A 10 LEU HA A 10 LEU HD21 1.0 . 3.11 358 333 A 10 LEU HA A 11 LYS H 1.0 . 3.39 359 334 A 10 LEU HBy A 10 LEU HD11 1.0 . 3.66 360 335 A 10 LEU HBy A 11 LYS H 1.0 . 3.96 361 336 A 10 LEU HBy A 12 ASP H 1.0 . 3.88 362 337 A 10 LEU HBy A 13 GLY H 1.0 . 4.38 363 338 A 10 LEU HBy A 14 SER H 1.0 . 3.78 364 339 A 10 LEU HBy A 15 GLN H 1.0 . 5.27 365 340 A 15 GLN HE22 A 10 LEU HBy 1.0 . 5.50 366 341 A 10 LEU HBx A 11 LYS H 1.0 . 3.13 367 342 A 10 LEU HBx A 12 ASP H 1.0 . 3.42 368 343 A 13 GLY H A 10 LEU HBx 1.0 . 4.31 369 344 A 10 LEU HBx A 14 SER H 1.0 . 5.23 370 345 A 10 LEU HBx A 14 SER HBy 1.0 . 3.99 371 346 A 10 LEU HG A 14 SER H 1.0 . 5.50 372 347 A 10 LEU HG A 15 GLN H 1.0 . 4.04 373 348 A 15 GLN HA A 10 LEU HG 1.0 . 3.97 374 349 A 15 GLN HE22 A 10 LEU HG 1.0 . 5.50 375 350 A 16 LYS H A 10 LEU HG 1.0 . 4.53 376 351 A 14 SER H A 10 LEU HD11 1.0 . 4.09 377 352 A 16 LYS HBx A 10 LEU HD11 1.0 . 4.92 378 353 A 10 LEU HD21 A 12 ASP H 1.0 . 4.90 379 354 A 11 LYS H A 10 LEU HD11 1.0 . 4.47 380 354 A 10 LEU HD21 A 11 LYS H 1.0 . 4.47 381 355 A 11 LYS HA A 10 LEU HD11 1.0 . 5.50 382 355 A 11 LYS HA A 10 LEU HD21 1.0 . 5.50 383 356 A 12 ASP H A 10 LEU HD11 1.0 . 4.85 384 356 A 10 LEU HD21 A 12 ASP H 1.0 . 4.85 385 357 A 14 SER H A 10 LEU HD11 1.0 . 4.11 386 357 A 10 LEU HD21 A 14 SER H 1.0 . 4.11 387 358 A 14 SER HBy A 10 LEU HD11 1.0 . 5.30 388 358 A 10 LEU HD21 A 14 SER HBy 1.0 . 5.30 389 359 A 15 GLN H A 10 LEU HD11 1.0 . 4.58 390 359 A 10 LEU HD21 A 15 GLN H 1.0 . 4.58 391 360 A 15 GLN HA A 10 LEU HD11 1.0 . 4.88 392 360 A 15 GLN HA A 10 LEU HD21 1.0 . 4.88 393 361 A 16 LYS H A 10 LEU HD11 1.0 . 4.85 394 361 A 16 LYS H A 10 LEU HD21 1.0 . 4.85 395 362 A 10 LEU HD21 A 16 LYS HEy 1.0 . 4.70 396 362 A 10 LEU HD11 A 16 LYS HEy 1.0 . 4.70 397 363 A 35 LEU HD21 A 10 LEU HD11 1.0 . 3.53 398 363 A 35 LEU HD21 A 10 LEU HD21 1.0 . 3.53 399 364 A 36 ASP H A 10 LEU HD11 1.0 . 5.50 400 364 A 10 LEU HD21 A 36 ASP H 1.0 . 5.50 401 365 A 11 LYS H A 11 LYS HBy 1.0 . 3.59 402 366 A 11 LYS H A 11 LYS HBx 1.0 . 4.01 403 367 A 11 LYS H A 11 LYS HGx 1.0 . 3.97 404 367 A 11 LYS H A 11 LYS HGy 1.0 . 3.97 405 368 A 11 LYS H A 12 ASP H 1.0 . 3.71 406 369 A 13 GLY H A 11 LYS H 1.0 . 5.21 407 370 A 11 LYS H A 37 MET HBy 1.0 . 4.07 408 371 A 11 LYS HA A 11 LYS HGx 1.0 . 3.72 409 371 A 11 LYS HA A 11 LYS HGy 1.0 . 3.72 410 372 A 11 LYS HA A 13 GLY H 1.0 . 4.46 411 373 A 12 ASP H A 11 LYS HBy 1.0 . 4.06 412 374 A 11 LYS HBx A 11 LYS HEy 1.0 . 4.75 413 375 A 12 ASP H A 11 LYS HDx 1.0 . 5.41 414 375 A 12 ASP H A 11 LYS HDy 1.0 . 5.41 415 376 A 13 GLY H A 11 LYS HGx 1.0 . 5.50 416 376 A 13 GLY H A 11 LYS HGy 1.0 . 5.50 417 377 A 37 MET HA A 11 LYS HGx 1.0 . 4.43 418 377 A 11 LYS HGy A 37 MET HA 1.0 . 4.43 419 378 A 37 MET HBy A 11 LYS HGx 1.0 . 3.62 420 378 A 11 LYS HGy A 37 MET HBy 1.0 . 3.62 421 379 A 12 ASP H A 12 ASP HBx 1.0 . 3.90 422 380 A 12 ASP H A 12 ASP HBy 1.0 . 4.19 423 381 A 13 GLY H A 12 ASP H 1.0 . 3.41 424 382 A 13 GLY HAy A 12 ASP H 1.0 . 5.18 425 383 A 14 SER H A 12 ASP H 1.0 . 4.91 426 384 A 13 GLY HAy A 12 ASP HA 1.0 . 5.50 427 385 A 13 GLY HAx A 12 ASP HA 1.0 . 5.50 428 386 A 13 GLY H A 12 ASP HBx 1.0 . 5.46 429 387 A 14 SER H A 12 ASP HBy 1.0 . 5.46 430 388 A 14 SER H A 14 SER HBx 1.0 . 3.70 431 389 A 14 SER H A 15 GLN H 1.0 . 4.95 432 390 A 14 SER HA A 15 GLN H 1.0 . 2.94 433 391 A 15 GLN HA A 14 SER HA 1.0 . 4.94 434 392 A 15 GLN H A 14 SER HBy 1.0 . 3.63 435 393 A 14 SER HBy A 16 LYS HDx 1.0 . 4.39 436 394 A 14 SER HBy A 16 LYS HEx 1.0 . 5.50 437 395 A 14 SER HBy A 16 LYS HGy 1.0 . 3.93 438 396 A 14 SER HBx A 15 GLN H 1.0 . 3.64 439 397 A 15 GLN HE21 A 15 GLN H 1.0 . 5.05 440 398 A 15 GLN HE22 A 15 GLN H 1.0 . 5.50 441 399 A 15 GLN HGy A 15 GLN H 1.0 . 4.16 442 400 A 15 GLN HGx A 15 GLN H 1.0 . 5.14 443 401 A 15 GLN H A 15 GLN HBx 1.0 . 3.40 444 401 A 15 GLN HBy A 15 GLN H 1.0 . 3.40 445 402 A 16 LYS H A 15 GLN H 1.0 . 5.20 446 403 A 15 GLN HA A 15 GLN HGx 1.0 . 3.97 447 404 A 16 LYS H A 15 GLN HA 1.0 . 3.00 448 405 A 16 LYS HBy A 15 GLN HA 1.0 . 5.30 449 406 A 15 GLN HA A 16 LYS HGx 1.0 . 5.50 450 407 A 15 GLN HA A 16 LYS HGy 1.0 . 5.50 451 408 A 16 LYS H A 15 GLN HGx 1.0 . 5.50 452 409 A 15 GLN HGx A 99 ARG HDx 1.0 . 5.50 453 409 A 99 ARG HDy A 15 GLN HGx 1.0 . 5.50 454 410 A 15 GLN HE22 A 15 GLN HBx 1.0 . 5.50 455 410 A 15 GLN HBy A 15 GLN HE22 1.0 . 5.50 456 411 A 16 LYS H A 15 GLN HBx 1.0 . 3.97 457 411 A 16 LYS H A 15 GLN HBy 1.0 . 3.97 458 412 A 17 THR H A 15 GLN HBx 1.0 . 4.54 459 412 A 15 GLN HBy A 17 THR H 1.0 . 4.54 460 413 A 16 LYS H A 16 LYS HBy 1.0 . 4.09 461 414 A 16 LYS H A 16 LYS HDy 1.0 . 5.50 462 415 A 16 LYS H A 16 LYS HGx 1.0 . 4.81 463 416 A 16 LYS H A 16 LYS HGy 1.0 . 4.92 464 417 A 16 LYS H A 17 THR H 1.0 . 4.97 465 418 A 16 LYS H A 17 THR HA 1.0 . 4.65 466 419 A 16 LYS HDy A 16 LYS HA 1.0 . 4.14 467 420 A 16 LYS HDx A 16 LYS HA 1.0 . 4.04 468 421 A 16 LYS HGx A 16 LYS HA 1.0 . 3.83 469 422 A 16 LYS HA A 16 LYS HEy 1.0 . 4.43 470 422 A 16 LYS HA A 16 LYS HEx 1.0 . 4.43 471 423 A 17 THR H A 16 LYS HA 1.0 . 2.82 472 424 A 16 LYS HA A 17 THR HG21 1.0 . 4.58 473 425 A 16 LYS HBx A 16 LYS HEy 1.0 . 4.78 474 426 A 17 THR H A 16 LYS HBx 1.0 . 3.87 475 427 A 16 LYS HBx A 18 TYR HE% 1.0 . 4.06 476 428 A 18 TYR HD% A 16 LYS HBy 1.0 . 5.37 477 429 A 16 LYS HBy A 18 TYR HE% 1.0 . 4.11 478 430 A 17 THR H A 16 LYS HDy 1.0 . 5.12 479 431 A 16 LYS HDy A 18 TYR HE% 1.0 . 5.50 480 432 A 16 LYS HDx A 18 TYR HE% 1.0 . 5.50 481 433 A 18 TYR HE% A 16 LYS HEy 1.0 . 5.50 482 434 A 35 LEU HD21 A 16 LYS HEy 1.0 . 5.50 483 435 A 16 LYS HGx A 16 LYS HEy 1.0 . 3.99 484 436 A 16 LYS HGx A 18 TYR HE% 1.0 . 5.07 485 437 A 35 LEU HD21 A 16 LYS HGx 1.0 . 4.99 486 438 A 16 LYS HGy A 16 LYS HEy 1.0 . 3.61 487 438 A 16 LYS HGy A 16 LYS HEx 1.0 . 3.61 488 439 A 17 THR H A 16 LYS HGy 1.0 . 5.32 489 440 A 35 LEU HD21 A 16 LYS HEy 1.0 . 3.90 490 440 A 35 LEU HD21 A 16 LYS HEx 1.0 . 3.90 491 441 A 17 THR H A 17 THR HB 1.0 . 3.24 492 442 A 17 THR H A 17 THR HG21 1.0 . 4.56 493 443 A 18 TYR HD% A 17 THR H 1.0 . 5.18 494 444 A 17 THR HA A 17 THR HG21 1.0 . 3.48 495 445 A 18 TYR H A 17 THR HA 1.0 . 2.97 496 446 A 18 TYR HD% A 17 THR HA 1.0 . 4.84 497 447 A 18 TYR H A 17 THR HB 1.0 . 4.81 498 448 A 18 TYR H A 17 THR HG21 1.0 . 3.88 499 449 A 17 THR HG21 A 18 TYR HA 1.0 . 5.01 500 450 A 18 TYR H A 18 TYR HBx 1.0 . 3.99 501 451 A 18 TYR H A 18 TYR HD% 1.0 . 4.05 502 452 A 18 TYR HD% A 18 TYR HA 1.0 . 3.37 503 453 A 18 TYR HE% A 18 TYR HA 1.0 . 4.38 504 454 A 20 VAL HG11 A 18 TYR HBy 1.0 . 3.44 505 455 A 18 TYR HBy A 29 ILE HG21 1.0 . 5.07 506 456 A 18 TYR HBx A 20 VAL HG11 1.0 . 3.93 507 457 A 20 VAL HG11 A 18 TYR HD% 1.0 . 4.71 508 458 A 18 TYR HD% A 29 ILE HG21 1.0 . 3.94 509 459 A 18 TYR HD% A 33 HIS H 1.0 . 5.20 510 460 A 18 TYR HD% A 33 HIS HBx 1.0 . 5.50 511 461 A 18 TYR HD% A 33 HIS HBy 1.0 . 5.50 512 462 A 35 LEU HD11 A 18 TYR HD% 1.0 . 4.69 513 463 A 18 TYR HD% A 35 LEU HD21 1.0 . 5.50 514 464 A 18 TYR HE% A 33 HIS H 1.0 . 5.50 515 465 A 18 TYR HE% A 33 HIS HA 1.0 . 5.39 516 466 A 18 TYR HE% A 33 HIS HBx 1.0 . 4.56 517 467 A 18 TYR HE% A 33 HIS HBy 1.0 . 4.37 518 468 A 18 TYR HE% A 35 LEU HG 1.0 . 4.52 519 469 A 35 LEU HD11 A 18 TYR HE% 1.0 . 4.13 520 470 A 35 LEU HD21 A 18 TYR HE% 1.0 . 4.23 521 471 A 20 VAL H A 20 VAL HG11 1.0 . 4.22 522 472 A 20 VAL H A 20 VAL HG21 1.0 . 3.63 523 473 A 20 VAL H A 29 ILE HD11 1.0 . 5.50 524 474 A 20 VAL HG11 A 20 VAL HA 1.0 . 3.53 525 475 A 20 VAL HA A 21 CYS H 1.0 . 3.32 526 476 A 20 VAL HA A 21 CYS HBy 1.0 . 4.14 527 477 A 20 VAL HA A 24 GLU HBx 1.0 . 5.50 528 477 A 20 VAL HA A 24 GLU HBy 1.0 . 5.50 529 478 A 20 VAL HB A 21 CYS H 1.0 . 3.18 530 479 A 24 GLU H A 20 VAL HB 1.0 . 5.50 531 480 A 20 VAL HB A 29 ILE HG1x 1.0 . 4.88 532 481 A 20 VAL HB A 29 ILE HG21 1.0 . 5.50 533 482 A 20 VAL HG11 A 21 CYS H 1.0 . 4.55 534 483 A 20 VAL HG11 A 29 ILE HG1y 1.0 . 4.00 535 484 A 20 VAL HG21 A 21 CYS H 1.0 . 4.48 536 485 A 20 VAL HG21 A 21 CYS HA 1.0 . 4.73 537 486 A 20 VAL HG21 A 21 CYS HBy 1.0 . 5.50 538 487 A 20 VAL HG21 A 21 CYS HBx 1.0 . 5.50 539 488 A 20 VAL HG21 A 22 GLU HA 1.0 . 5.41 540 489 A 20 VAL HG21 A 29 ILE HD11 1.0 . 3.22 541 490 A 20 VAL HG21 A 91 MET H 1.0 . 5.32 542 491 A 20 VAL HG21 A 91 MET HGy 1.0 . 4.12 543 492 A 20 VAL HG21 A 91 MET HGx 1.0 . 4.28 544 493 A 20 VAL HG21 A 91 MET HBx 1.0 . 5.37 545 493 A 20 VAL HG21 A 91 MET HBy 1.0 . 5.37 546 494 A 21 CYS H A 21 CYS HBx 1.0 . 3.90 547 495 A 24 GLU H A 21 CYS H 1.0 . 5.24 548 496 A 21 CYS H A 24 GLU HBx 1.0 . 5.04 549 496 A 21 CYS H A 24 GLU HBy 1.0 . 5.04 550 497 A 21 CYS HA A 22 GLU H 1.0 . 3.07 551 498 A 21 CYS HA A 22 GLU HA 1.0 . 5.12 552 499 A 21 CYS HA A 22 GLU HBx 1.0 . 5.01 553 499 A 21 CYS HA A 22 GLU HBy 1.0 . 5.01 554 500 A 22 GLU H A 21 CYS HBy 1.0 . 3.88 555 501 A 21 CYS HBy A 24 GLU HGy 1.0 . 4.87 556 502 A 22 GLU H A 21 CYS HBx 1.0 . 4.26 557 503 A 21 CYS HBx A 22 GLU HBx 1.0 . 4.69 558 503 A 22 GLU HBy A 21 CYS HBx 1.0 . 4.69 559 504 A 24 GLU H A 21 CYS HBx 1.0 . 5.50 560 505 A 21 CYS HBx A 24 GLU HGy 1.0 . 4.56 561 506 A 22 GLU H A 22 GLU HGx 1.0 . 4.09 562 507 A 22 GLU H A 22 GLU HBx 1.0 . 3.06 563 507 A 22 GLU H A 22 GLU HBy 1.0 . 3.06 564 508 A 22 GLU H A 23 GLY H 1.0 . 5.02 565 509 A 22 GLU H A 24 GLU H 1.0 . 5.39 566 510 A 22 GLU HA A 22 GLU HGy 1.0 . 4.07 567 511 A 22 GLU HA A 22 GLU HGy 1.0 . 3.81 568 511 A 22 GLU HA A 22 GLU HGx 1.0 . 3.81 569 512 A 22 GLU HA A 23 GLY H 1.0 . 2.89 570 513 A 22 GLU HA A 91 MET HGy 1.0 . 4.55 571 514 A 22 GLU HA A 91 MET HBx 1.0 . 3.97 572 514 A 22 GLU HA A 91 MET HBy 1.0 . 3.97 573 515 A 22 GLU HA A 92 SER H 1.0 . 5.50 574 516 A 22 GLU HA A 92 SER HA 1.0 . 4.42 575 517 A 23 GLY H A 22 GLU HGy 1.0 . 4.64 576 518 A 92 SER HA A 22 GLU HGy 1.0 . 4.31 577 519 A 92 SER HBx A 22 GLU HGy 1.0 . 5.50 578 520 A 92 SER HA A 22 GLU HGx 1.0 . 4.60 579 521 A 22 GLU HBy A 22 GLU HGx 1.0 . 2.92 580 521 A 22 GLU HGx A 22 GLU HBx 1.0 . 2.92 581 522 A 22 GLU HBy A 22 GLU HGy 1.0 . 2.89 582 522 A 22 GLU HBx A 22 GLU HGy 1.0 . 2.89 583 522 A 22 GLU HGx A 22 GLU HBx 1.0 . 2.89 584 522 A 22 GLU HBy A 22 GLU HGx 1.0 . 2.89 585 523 A 23 GLY H A 22 GLU HBx 1.0 . 4.35 586 523 A 22 GLU HBy A 23 GLY H 1.0 . 4.35 587 524 A 92 SER H A 22 GLU HBx 1.0 . 5.50 588 524 A 22 GLU HBy A 92 SER H 1.0 . 5.50 589 525 A 92 SER HA A 22 GLU HGy 1.0 . 4.10 590 525 A 92 SER HA A 22 GLU HGx 1.0 . 4.10 591 526 A 23 GLY H A 24 GLU H 1.0 . 3.87 592 527 A 23 GLY H A 90 LYS HBx 1.0 . 4.91 593 528 A 23 GLY H A 90 LYS HDx 1.0 . 4.75 594 528 A 23 GLY H A 90 LYS HDy 1.0 . 4.75 595 529 A 23 GLY H A 91 MET H 1.0 . 4.37 596 530 A 23 GLY H A 91 MET HGy 1.0 . 5.50 597 531 A 23 GLY H A 91 MET HBx 1.0 . 3.81 598 531 A 23 GLY H A 91 MET HBy 1.0 . 3.81 599 532 A 23 GLY H A 92 SER H 1.0 . 5.50 600 533 A 23 GLY H A 92 SER HA 1.0 . 5.08 601 534 A 90 LYS HBx A 23 GLY HAx 1.0 . 4.42 602 534 A 90 LYS HBx A 23 GLY HAy 1.0 . 4.42 603 535 A 90 LYS HGy A 23 GLY HAx 1.0 . 5.50 604 535 A 23 GLY HAy A 90 LYS HGy 1.0 . 5.50 605 536 A 23 GLY HAy A 90 LYS HDx 1.0 . 4.05 606 536 A 23 GLY HAx A 90 LYS HDx 1.0 . 4.05 607 536 A 90 LYS HDy A 23 GLY HAx 1.0 . 4.05 608 536 A 90 LYS HDy A 23 GLY HAy 1.0 . 4.05 609 537 A 23 GLY HAy A 90 LYS HEx 1.0 . 3.43 610 537 A 23 GLY HAx A 90 LYS HEx 1.0 . 3.43 611 537 A 90 LYS HEy A 23 GLY HAx 1.0 . 3.43 612 537 A 23 GLY HAy A 90 LYS HEy 1.0 . 3.43 613 538 A 91 MET H A 23 GLY HAx 1.0 . 4.64 614 538 A 91 MET H A 23 GLY HAy 1.0 . 4.64 615 539 A 24 GLU H A 24 GLU HGy 1.0 . 3.49 616 540 A 24 GLU H A 24 GLU HBx 1.0 . 3.09 617 540 A 24 GLU H A 24 GLU HBy 1.0 . 3.09 618 541 A 24 GLU H A 25 THR H 1.0 . 4.71 619 542 A 24 GLU H A 29 ILE HD11 1.0 . 5.50 620 543 A 24 GLU H A 91 MET H 1.0 . 4.39 621 544 A 24 GLU H A 91 MET HGy 1.0 . 5.36 622 545 A 24 GLU H A 91 MET HBx 1.0 . 4.19 623 545 A 24 GLU H A 91 MET HBy 1.0 . 4.19 624 546 A 24 GLU HA A 24 GLU HGx 1.0 . 4.06 625 547 A 25 THR H A 24 GLU HA 1.0 . 2.95 626 548 A 24 GLU HA A 25 THR HA 1.0 . 4.63 627 549 A 24 GLU HGx A 24 GLU HBx 1.0 . 2.40 628 549 A 24 GLU HBy A 24 GLU HGx 1.0 . 2.40 629 550 A 25 THR H A 24 GLU HBx 1.0 . 3.76 630 550 A 24 GLU HBy A 25 THR H 1.0 . 3.76 631 551 A 28 ASP HBx A 24 GLU HBx 1.0 . 5.17 632 551 A 24 GLU HBy A 28 ASP HBx 1.0 . 5.17 633 552 A 28 ASP HBy A 24 GLU HBx 1.0 . 5.50 634 552 A 24 GLU HBy A 28 ASP HBy 1.0 . 5.50 635 553 A 29 ILE H A 24 GLU HBx 1.0 . 4.70 636 553 A 24 GLU HBy A 29 ILE H 1.0 . 4.70 637 554 A 29 ILE HA A 24 GLU HBx 1.0 . 4.76 638 554 A 24 GLU HBy A 29 ILE HA 1.0 . 4.76 639 555 A 29 ILE HG1x A 24 GLU HBx 1.0 . 4.97 640 555 A 29 ILE HG1x A 24 GLU HBy 1.0 . 4.97 641 556 A 29 ILE HD11 A 24 GLU HBx 1.0 . 4.62 642 556 A 29 ILE HD11 A 24 GLU HBy 1.0 . 4.62 643 557 A 91 MET H A 24 GLU HBx 1.0 . 5.50 644 557 A 91 MET H A 24 GLU HBy 1.0 . 5.50 645 558 A 25 THR H A 25 THR HG21 1.0 . 3.75 646 559 A 26 ILE H A 25 THR H 1.0 . 4.61 647 560 A 25 THR H A 28 ASP H 1.0 . 5.00 648 561 A 25 THR H A 28 ASP HA 1.0 . 5.50 649 562 A 25 THR H A 28 ASP HBx 1.0 . 4.16 650 563 A 25 THR H A 28 ASP HBy 1.0 . 3.69 651 564 A 25 THR H A 29 ILE H 1.0 . 5.38 652 565 A 29 ILE HD11 A 25 THR H 1.0 . 5.04 653 566 A 91 MET H A 25 THR H 1.0 . 5.50 654 567 A 25 THR HA A 25 THR HG21 1.0 . 3.88 655 568 A 26 ILE H A 25 THR HA 1.0 . 3.43 656 569 A 26 ILE HA A 25 THR HA 1.0 . 5.10 657 570 A 26 ILE HB A 25 THR HA 1.0 . 4.76 658 571 A 25 THR HA A 26 ILE HD11 1.0 . 5.25 659 572 A 26 ILE HG21 A 25 THR HA 1.0 . 5.50 660 573 A 29 ILE HD11 A 25 THR HA 1.0 . 5.50 661 574 A 25 THR HA A 90 LYS H 1.0 . 5.23 662 575 A 25 THR HA A 90 LYS HA 1.0 . 3.04 663 576 A 25 THR HA A 90 LYS HBy 1.0 . 4.70 664 577 A 90 LYS HBx A 25 THR HA 1.0 . 4.92 665 578 A 25 THR HA A 90 LYS HDx 1.0 . 5.50 666 578 A 90 LYS HDy A 25 THR HA 1.0 . 5.50 667 579 A 91 MET H A 25 THR HA 1.0 . 4.05 668 580 A 26 ILE H A 25 THR HB 1.0 . 4.02 669 581 A 26 ILE HD11 A 25 THR HB 1.0 . 5.50 670 582 A 28 ASP HBx A 25 THR HB 1.0 . 3.77 671 583 A 28 ASP HBy A 25 THR HB 1.0 . 3.80 672 584 A 29 ILE H A 25 THR HB 1.0 . 5.27 673 585 A 26 ILE H A 25 THR HG21 1.0 . 5.03 674 586 A 25 THR HG21 A 28 ASP H 1.0 . 4.97 675 587 A 25 THR HG21 A 90 LYS HA 1.0 . 3.89 676 588 A 26 ILE H A 26 ILE HB 1.0 . 3.73 677 589 A 26 ILE H A 26 ILE HG1x 1.0 . 4.69 678 590 A 26 ILE H A 26 ILE HG1y 1.0 . 4.08 679 591 A 26 ILE H A 26 ILE HD11 1.0 . 4.30 680 592 A 26 ILE H A 26 ILE HG21 1.0 . 5.02 681 593 A 29 ILE HD11 A 26 ILE H 1.0 . 5.50 682 594 A 26 ILE H A 89 ILE H 1.0 . 5.50 683 595 A 26 ILE H A 90 LYS HA 1.0 . 4.66 684 596 A 91 MET H A 26 ILE H 1.0 . 5.50 685 597 A 26 ILE HA A 100 VAL HG21 1.0 . 5.50 686 598 A 26 ILE HA A 26 ILE HG1x 1.0 . 3.63 687 599 A 26 ILE HA A 26 ILE HG1y 1.0 . 4.03 688 600 A 26 ILE HA A 26 ILE HD11 1.0 . 4.10 689 601 A 26 ILE HA A 26 ILE HG21 1.0 . 3.63 690 602 A 26 ILE HA A 29 ILE H 1.0 . 4.13 691 603 A 29 ILE HB A 26 ILE HA 1.0 . 3.50 692 604 A 26 ILE HA A 29 ILE HG1x 1.0 . 5.11 693 605 A 29 ILE HD11 A 26 ILE HA 1.0 . 3.56 694 606 A 26 ILE HB A 26 ILE HD11 1.0 . 3.91 695 607 A 26 ILE HB A 28 ASP H 1.0 . 5.50 696 608 A 26 ILE HG1y A 100 VAL HG21 1.0 . 5.38 697 609 A 100 VAL HG21 A 26 ILE HD11 1.0 . 4.73 698 610 A 26 ILE HD11 A 90 LYS HA 1.0 . 5.14 699 611 A 91 MET H A 26 ILE HD11 1.0 . 5.47 700 612 A 91 MET HGy A 26 ILE HD11 1.0 . 5.26 701 613 A 26 ILE HG21 A 100 VAL HG21 1.0 . 4.12 702 614 A 26 ILE HG1y A 26 ILE HG21 1.0 . 3.89 703 615 A 26 ILE HG21 A 26 ILE HD11 1.0 . 3.93 704 616 A 26 ILE HG21 A 28 ASP H 1.0 . 5.50 705 617 A 28 ASP HBy A 28 ASP H 1.0 . 3.71 706 618 A 29 ILE H A 28 ASP H 1.0 . 4.07 707 619 A 29 ILE HA A 28 ASP H 1.0 . 5.50 708 620 A 29 ILE HG1y A 28 ASP H 1.0 . 5.50 709 621 A 30 ALA H A 28 ASP H 1.0 . 4.39 710 622 A 28 ASP HA A 31 GLN H 1.0 . 4.13 711 623 A 28 ASP HA A 31 GLN HBy 1.0 . 3.98 712 624 A 28 ASP HBx A 29 ILE H 1.0 . 4.08 713 625 A 28 ASP HBx A 29 ILE HA 1.0 . 4.87 714 626 A 29 ILE HG1y A 28 ASP HBx 1.0 . 5.50 715 627 A 29 ILE HD11 A 28 ASP HBx 1.0 . 4.64 716 628 A 28 ASP HBy A 29 ILE H 1.0 . 3.85 717 629 A 28 ASP HBy A 29 ILE HA 1.0 . 5.05 718 630 A 29 ILE HG1y A 28 ASP HBy 1.0 . 4.59 719 631 A 29 ILE HB A 29 ILE H 1.0 . 2.96 720 632 A 29 ILE HG1x A 29 ILE H 1.0 . 4.00 721 633 A 29 ILE HG1y A 29 ILE H 1.0 . 3.18 722 634 A 29 ILE HD11 A 29 ILE H 1.0 . 4.12 723 635 A 29 ILE HG21 A 29 ILE H 1.0 . 4.64 724 636 A 30 ALA H A 29 ILE H 1.0 . 2.53 725 637 A 29 ILE HG1x A 29 ILE HA 1.0 . 3.59 726 638 A 29 ILE HG1y A 29 ILE HA 1.0 . 3.42 727 639 A 29 ILE HD11 A 29 ILE HA 1.0 . 4.39 728 640 A 29 ILE HG21 A 29 ILE HA 1.0 . 3.44 729 641 A 30 ALA HA A 29 ILE HA 1.0 . 4.87 730 642 A 29 ILE HA A 31 GLN H 1.0 . 4.91 731 643 A 33 HIS HBy A 29 ILE HA 1.0 . 4.91 732 644 A 29 ILE HB A 30 ALA H 1.0 . 3.37 733 645 A 29 ILE HB A 30 ALA HA 1.0 . 4.66 734 646 A 29 ILE HB A 35 LEU HD11 1.0 . 5.50 735 647 A 91 MET H A 29 ILE HD11 1.0 . 5.18 736 648 A 91 MET HGy A 29 ILE HD11 1.0 . 4.08 737 649 A 29 ILE HD11 A 91 MET HGx 1.0 . 3.98 738 650 A 29 ILE HG21 A 29 ILE HG1y 1.0 . 3.55 739 651 A 29 ILE HD11 A 29 ILE HG21 1.0 . 3.23 740 652 A 29 ILE HG21 A 30 ALA H 1.0 . 4.11 741 653 A 29 ILE HG21 A 30 ALA HA 1.0 . 4.47 742 654 A 29 ILE HG21 A 31 GLN H 1.0 . 5.50 743 655 A 29 ILE HG21 A 33 HIS H 1.0 . 3.84 744 656 A 29 ILE HG21 A 34 ASN H 1.0 . 5.50 745 657 A 35 LEU HD11 A 29 ILE HG21 1.0 . 4.86 746 658 A 30 ALA HB1 A 30 ALA H 1.0 . 3.37 747 659 A 30 ALA H A 31 GLN H 1.0 . 3.77 748 660 A 30 ALA H A 31 GLN HA 1.0 . 5.50 749 661 A 30 ALA H A 31 GLN HBy 1.0 . 5.50 750 662 A 35 LEU HD11 A 30 ALA H 1.0 . 5.46 751 663 A 30 ALA HA A 102 LEU HD11 1.0 . 5.50 752 663 A 102 LEU HD21 A 30 ALA HA 1.0 . 5.50 753 664 A 30 ALA HA A 31 GLN HA 1.0 . 5.50 754 665 A 30 ALA HA A 32 GLY H 1.0 . 5.22 755 666 A 30 ALA HA A 33 HIS H 1.0 . 4.12 756 667 A 30 ALA HA A 33 HIS HBx 1.0 . 4.45 757 668 A 30 ALA HA A 33 HIS HBy 1.0 . 3.96 758 669 A 30 ALA HA A 34 ASN H 1.0 . 5.50 759 670 A 30 ALA HA A 35 LEU H 1.0 . 4.11 760 671 A 30 ALA HA A 35 LEU HBy 1.0 . 4.03 761 672 A 30 ALA HA A 35 LEU HBx 1.0 . 4.74 762 673 A 30 ALA HA A 35 LEU HG 1.0 . 3.89 763 674 A 35 LEU HD11 A 30 ALA HA 1.0 . 3.46 764 675 A 30 ALA HA A 35 LEU HD21 1.0 . 4.84 765 676 A 30 ALA HB1 A 31 GLN H 1.0 . 3.80 766 677 A 30 ALA HB1 A 31 GLN HBy 1.0 . 4.49 767 678 A 30 ALA HB1 A 31 GLN HGy 1.0 . 5.08 768 679 A 30 ALA HB1 A 32 GLY H 1.0 . 5.40 769 680 A 35 LEU HD11 A 30 ALA HB1 1.0 . 3.98 770 681 A 31 GLN H A 31 GLN HBy 1.0 . 3.42 771 682 A 31 GLN H A 31 GLN HGy 1.0 . 3.76 772 683 A 31 GLN H A 31 GLN HGx 1.0 . 4.10 773 684 A 31 GLN H A 32 GLY H 1.0 . 3.54 774 685 A 31 GLN H A 32 GLY HAy 1.0 . 5.08 775 686 A 33 HIS H A 31 GLN H 1.0 . 4.81 776 687 A 31 GLN H A 34 ASN H 1.0 . 5.50 777 688 A 31 GLN H A 35 LEU H 1.0 . 5.50 778 689 A 31 GLN HA A 31 GLN HE22 1.0 . 5.50 779 690 A 31 GLN HA A 31 GLN HGy 1.0 . 4.25 780 691 A 31 GLN HA A 31 GLN HGx 1.0 . 3.29 781 692 A 33 HIS H A 31 GLN HA 1.0 . 4.48 782 693 A 34 ASN H A 31 GLN HA 1.0 . 3.96 783 694 A 31 GLN HA A 34 ASN HA 1.0 . 4.28 784 695 A 31 GLN HA A 34 ASN HD22 1.0 . 4.09 785 696 A 31 GLN HA A 35 LEU H 1.0 . 4.04 786 697 A 31 GLN HA A 35 LEU HBy 1.0 . 5.13 787 698 A 31 GLN HBy A 31 GLN HE22 1.0 . 5.50 788 699 A 31 GLN HBy A 31 GLN HGx 1.0 . 2.89 789 700 A 31 GLN HBy A 32 GLY H 1.0 . 3.70 790 701 A 31 GLN HE22 A 31 GLN HBx 1.0 . 5.50 791 702 A 32 GLY H A 31 GLN HBx 1.0 . 4.09 792 703 A 33 HIS H A 31 GLN HBx 1.0 . 5.50 793 704 A 32 GLY H A 31 GLN HGy 1.0 . 5.19 794 705 A 32 GLY H A 31 GLN HGx 1.0 . 5.38 795 706 A 32 GLY H A 32 GLY HAy 1.0 . 2.87 796 707 A 33 HIS H A 32 GLY H 1.0 . 3.57 797 708 A 34 ASN H A 32 GLY H 1.0 . 5.33 798 709 A 32 GLY HAx A 34 ASN HD21 1.0 . 4.76 799 710 A 33 HIS H A 32 GLY HAy 1.0 . 3.51 800 711 A 33 HIS HA A 32 GLY HAy 1.0 . 4.59 801 712 A 34 ASN H A 32 GLY HAy 1.0 . 4.61 802 713 A 32 GLY HAy A 34 ASN HD21 1.0 . 5.50 803 714 A 32 GLY HAy A 34 ASN HD22 1.0 . 5.50 804 715 A 33 HIS H A 33 HIS HBx 1.0 . 3.31 805 716 A 33 HIS H A 33 HIS HBy 1.0 . 3.70 806 717 A 33 HIS H A 34 ASN H 1.0 . 3.32 807 718 A 33 HIS H A 34 ASN HD21 1.0 . 5.08 808 719 A 33 HIS H A 35 LEU H 1.0 . 4.24 809 720 A 33 HIS H A 35 LEU HG 1.0 . 4.84 810 721 A 35 LEU HD11 A 33 HIS H 1.0 . 4.88 811 722 A 33 HIS HA A 34 ASN HBy 1.0 . 5.50 812 723 A 33 HIS HA A 34 ASN HD22 1.0 . 5.50 813 724 A 33 HIS HA A 35 LEU H 1.0 . 5.32 814 725 A 33 HIS HBx A 34 ASN H 1.0 . 4.55 815 726 A 33 HIS HBx A 35 LEU H 1.0 . 4.39 816 727 A 33 HIS HBx A 35 LEU HG 1.0 . 4.40 817 728 A 35 LEU HD11 A 33 HIS HBx 1.0 . 4.97 818 729 A 35 LEU HD21 A 33 HIS HBx 1.0 . 5.50 819 730 A 33 HIS HBy A 34 ASN H 1.0 . 5.34 820 731 A 33 HIS HBy A 35 LEU H 1.0 . 5.40 821 732 A 33 HIS HBy A 35 LEU HG 1.0 . 4.49 822 733 A 35 LEU HD11 A 33 HIS HBy 1.0 . 4.62 823 734 A 35 LEU HD21 A 33 HIS HBy 1.0 . 5.00 824 735 A 34 ASN H A 34 ASN HA 1.0 . 2.77 825 736 A 34 ASN H A 34 ASN HBy 1.0 . 4.08 826 737 A 34 ASN H A 34 ASN HBx 1.0 . 4.08 827 738 A 34 ASN H A 34 ASN HD21 1.0 . 5.50 828 739 A 34 ASN H A 35 LEU H 1.0 . 3.56 829 740 A 35 LEU HG A 34 ASN H 1.0 . 5.10 830 741 A 35 LEU HD11 A 34 ASN H 1.0 . 5.50 831 742 A 34 ASN HA A 34 ASN HBx 1.0 . 2.85 832 743 A 34 ASN HA A 34 ASN HD21 1.0 . 5.43 833 744 A 35 LEU H A 34 ASN HA 1.0 . 3.35 834 745 A 35 LEU H A 34 ASN HBy 1.0 . 4.33 835 746 A 35 LEU H A 34 ASN HBx 1.0 . 5.28 836 747 A 35 LEU H A 35 LEU HBy 1.0 . 3.47 837 748 A 35 LEU H A 35 LEU HBx 1.0 . 3.91 838 749 A 35 LEU HG A 35 LEU H 1.0 . 3.53 839 750 A 35 LEU HD11 A 35 LEU H 1.0 . 4.45 840 751 A 35 LEU HD21 A 35 LEU H 1.0 . 4.25 841 752 A 36 ASP H A 35 LEU H 1.0 . 4.76 842 753 A 35 LEU HG A 35 LEU HA 1.0 . 3.97 843 754 A 35 LEU HD11 A 35 LEU HA 1.0 . 4.33 844 755 A 35 LEU HD21 A 35 LEU HA 1.0 . 3.20 845 756 A 36 ASP H A 35 LEU HA 1.0 . 3.11 846 757 A 35 LEU HD11 A 35 LEU HBy 1.0 . 3.64 847 758 A 36 ASP H A 35 LEU HBy 1.0 . 4.25 848 759 A 35 LEU HD11 A 35 LEU HBx 1.0 . 3.55 849 760 A 35 LEU HD21 A 35 LEU HBx 1.0 . 3.45 850 761 A 36 ASP H A 35 LEU HBx 1.0 . 3.39 851 762 A 35 LEU HBx A 36 ASP HBx 1.0 . 5.50 852 763 A 37 MET HBy A 35 LEU HBx 1.0 . 3.68 853 764 A 35 LEU HD11 A 102 LEU HD11 1.0 . 3.84 854 765 A 35 LEU HD11 A 102 LEU HD11 1.0 . 3.84 855 765 A 35 LEU HD11 A 102 LEU HD21 1.0 . 3.84 856 766 A 35 LEU HD11 A 36 ASP H 1.0 . 5.03 857 767 A 35 LEU HD11 A 37 MET HBx 1.0 . 5.50 858 768 A 35 LEU HD21 A 36 ASP H 1.0 . 4.33 859 769 A 35 LEU HD21 A 36 ASP HA 1.0 . 5.50 860 770 A 36 ASP H A 36 ASP HBx 1.0 . 3.36 861 771 A 36 ASP H A 36 ASP HBy 1.0 . 3.50 862 772 A 36 ASP H A 37 MET H 1.0 . 4.24 863 773 A 36 ASP HA A 37 MET H 1.0 . 2.80 864 774 A 36 ASP HA A 37 MET HGx 1.0 . 4.19 865 774 A 36 ASP HA A 37 MET HGy 1.0 . 4.19 866 775 A 36 ASP HBx A 37 MET H 1.0 . 4.51 867 776 A 36 ASP HBy A 37 MET H 1.0 . 5.10 868 777 A 37 MET HBy A 37 MET H 1.0 . 4.03 869 778 A 37 MET HBx A 37 MET H 1.0 . 3.78 870 779 A 37 MET H A 37 MET HGx 1.0 . 4.17 871 779 A 37 MET H A 37 MET HGy 1.0 . 4.17 872 780 A 37 MET HA A 37 MET HGx 1.0 . 3.71 873 780 A 37 MET HA A 37 MET HGy 1.0 . 3.71 874 781 A 52 VAL H A 52 VAL HG11 1.0 . 5.10 875 782 A 52 VAL H A 52 VAL HG21 1.0 . 4.32 876 783 A 52 VAL H A 53 ILE H 1.0 . 5.50 877 784 A 52 VAL H A 53 ILE HA 1.0 . 5.50 878 785 A 52 VAL H A 83 SER HA 1.0 . 5.31 879 786 A 100 VAL HG21 A 52 VAL HA 1.0 . 5.35 880 787 A 101 ALA HB1 A 52 VAL HA 1.0 . 4.82 881 788 A 52 VAL HG11 A 52 VAL HA 1.0 . 3.44 882 789 A 53 ILE H A 52 VAL HA 1.0 . 3.09 883 790 A 53 ILE HA A 52 VAL HA 1.0 . 5.29 884 791 A 52 VAL HA A 53 ILE HG21 1.0 . 4.67 885 792 A 52 VAL HB A 100 VAL HA 1.0 . 5.29 886 793 A 100 VAL HB A 52 VAL HB 1.0 . 3.09 887 794 A 100 VAL HG11 A 52 VAL HB 1.0 . 4.44 888 795 A 100 VAL HG21 A 52 VAL HB 1.0 . 4.13 889 796 A 101 ALA H A 52 VAL HB 1.0 . 4.53 890 797 A 53 ILE H A 52 VAL HB 1.0 . 3.36 891 798 A 53 ILE HA A 52 VAL HB 1.0 . 5.50 892 799 A 100 VAL HB A 52 VAL HG11 1.0 . 4.33 893 800 A 52 VAL HG11 A 53 ILE H 1.0 . 4.47 894 801 A 52 VAL HG11 A 53 ILE HA 1.0 . 4.86 895 802 A 52 VAL HG11 A 54 VAL HB 1.0 . 5.50 896 803 A 52 VAL HG11 A 84 ARG H 1.0 . 5.26 897 804 A 52 VAL HG21 A 53 ILE H 1.0 . 4.35 898 805 A 100 VAL HG21 A 53 ILE H 1.0 . 5.47 899 806 A 101 ALA H A 53 ILE H 1.0 . 4.15 900 807 A 101 ALA HB1 A 53 ILE H 1.0 . 4.10 901 808 A 53 ILE H A 53 ILE HB 1.0 . 3.24 902 809 A 53 ILE H A 53 ILE HG1y 1.0 . 4.26 903 810 A 53 ILE H A 53 ILE HG1x 1.0 . 4.89 904 811 A 53 ILE H A 53 ILE HD11 1.0 . 4.40 905 812 A 53 ILE H A 53 ILE HG21 1.0 . 3.94 906 813 A 53 ILE H A 54 VAL H 1.0 . 5.19 907 814 A 53 ILE H A 83 SER HA 1.0 . 5.32 908 815 A 53 ILE H A 84 ARG H 1.0 . 5.50 909 816 A 101 ALA H A 53 ILE HA 1.0 . 5.50 910 817 A 53 ILE HA A 53 ILE HG1y 1.0 . 3.63 911 818 A 53 ILE HA A 53 ILE HG1x 1.0 . 3.85 912 819 A 53 ILE HA A 53 ILE HD11 1.0 . 3.63 913 820 A 53 ILE HA A 54 VAL H 1.0 . 2.96 914 821 A 53 ILE HA A 54 VAL HB 1.0 . 4.50 915 822 A 53 ILE HA A 54 VAL HG11 1.0 . 4.30 916 823 A 53 ILE HA A 83 SER HA 1.0 . 3.05 917 824 A 53 ILE HA A 84 ARG HBy 1.0 . 4.48 918 825 A 53 ILE HB A 53 ILE HD11 1.0 . 3.37 919 826 A 53 ILE HB A 54 VAL H 1.0 . 5.04 920 827 A 83 SER HA A 53 ILE HB 1.0 . 4.40 921 828 A 101 ALA H A 53 ILE HG1y 1.0 . 4.49 922 829 A 53 ILE HG1y A 54 VAL HA 1.0 . 4.02 923 830 A 53 ILE HG1x A 54 VAL H 1.0 . 5.17 924 831 A 83 SER HA A 53 ILE HG1x 1.0 . 5.50 925 832 A 100 VAL HA A 53 ILE HD11 1.0 . 5.13 926 833 A 53 ILE HD11 A 54 VAL H 1.0 . 4.09 927 834 A 53 ILE HD11 A 54 VAL HA 1.0 . 4.97 928 835 A 54 VAL HB A 53 ILE HD11 1.0 . 5.48 929 836 A 53 ILE HD11 A 55 ASP H 1.0 . 5.50 930 837 A 53 ILE HD11 A 80 THR HB 1.0 . 4.22 931 838 A 53 ILE HD11 A 80 THR HG21 1.0 . 3.77 932 839 A 53 ILE HD11 A 82 THR H 1.0 . 3.39 933 840 A 53 ILE HD11 A 83 SER H 1.0 . 5.28 934 841 A 83 SER HA A 53 ILE HD11 1.0 . 4.14 935 842 A 101 ALA H A 53 ILE HG21 1.0 . 4.54 936 843 A 101 ALA HA A 53 ILE HG21 1.0 . 5.50 937 844 A 101 ALA HB1 A 53 ILE HG21 1.0 . 4.41 938 845 A 102 LEU H A 53 ILE HG21 1.0 . 5.50 939 846 A 53 ILE HG21 A 53 ILE HD11 1.0 . 3.21 940 847 A 53 ILE HG21 A 80 THR HB 1.0 . 5.01 941 848 A 83 SER HA A 53 ILE HG21 1.0 . 4.51 942 849 A 54 VAL HB A 54 VAL H 1.0 . 3.38 943 850 A 54 VAL H A 54 VAL HG11 1.0 . 3.52 944 851 A 54 VAL H A 54 VAL HG21 1.0 . 4.37 945 852 A 54 VAL H A 55 ASP H 1.0 . 5.35 946 853 A 54 VAL H A 59 TYR HE% 1.0 . 5.50 947 854 A 54 VAL H A 82 THR HA 1.0 . 5.16 948 855 A 54 VAL H A 82 THR HB 1.0 . 3.90 949 856 A 54 VAL H A 82 THR HG21 1.0 . 5.34 950 857 A 54 VAL H A 83 SER H 1.0 . 5.22 951 858 A 83 SER HA A 54 VAL H 1.0 . 3.89 952 859 A 84 ARG H A 54 VAL H 1.0 . 4.95 953 860 A 100 VAL H A 54 VAL HA 1.0 . 5.50 954 861 A 100 VAL HA A 54 VAL HA 1.0 . 3.43 955 862 A 100 VAL HB A 54 VAL HA 1.0 . 4.03 956 863 A 100 VAL HG11 A 54 VAL HA 1.0 . 3.63 957 864 A 100 VAL HG21 A 54 VAL HA 1.0 . 5.49 958 865 A 101 ALA H A 54 VAL HA 1.0 . 4.36 959 866 A 54 VAL HG11 A 54 VAL HA 1.0 . 3.70 960 867 A 54 VAL HA A 54 VAL HG21 1.0 . 3.70 961 868 A 54 VAL HA A 55 ASP H 1.0 . 3.16 962 869 A 54 VAL HA A 55 ASP HBy 1.0 . 5.32 963 870 A 54 VAL HA A 55 ASP HBx 1.0 . 4.13 964 871 A 100 VAL HG11 A 54 VAL HB 1.0 . 5.50 965 872 A 54 VAL HB A 55 ASP H 1.0 . 5.30 966 873 A 54 VAL HB A 59 TYR H 1.0 . 5.12 967 874 A 54 VAL HB A 59 TYR HA 1.0 . 4.44 968 875 A 54 VAL HB A 59 TYR HD% 1.0 . 3.21 969 876 A 54 VAL HB A 59 TYR HE% 1.0 . 4.33 970 877 A 54 VAL HB A 82 THR HA 1.0 . 5.39 971 878 A 54 VAL HB A 82 THR HB 1.0 . 3.78 972 879 A 54 VAL HB A 82 THR HG21 1.0 . 5.15 973 880 A 83 SER HA A 54 VAL HB 1.0 . 5.10 974 881 A 100 VAL HG11 A 54 VAL HG11 1.0 . 3.88 975 882 A 54 VAL HG11 A 55 ASP H 1.0 . 4.76 976 883 A 54 VAL HG11 A 59 TYR HA 1.0 . 4.68 977 884 A 54 VAL HG11 A 59 TYR HBy 1.0 . 5.50 978 885 A 54 VAL HG11 A 59 TYR HBx 1.0 . 5.50 979 886 A 54 VAL HG11 A 59 TYR HD% 1.0 . 3.85 980 887 A 54 VAL HG11 A 59 TYR HE% 1.0 . 4.54 981 888 A 54 VAL HG11 A 84 ARG HDx 1.0 . 4.53 982 889 A 54 VAL HG11 A 84 ARG HGy 1.0 . 4.37 983 890 A 100 VAL HG11 A 54 VAL HG21 1.0 . 4.03 984 891 A 100 VAL HG21 A 54 VAL HG21 1.0 . 5.50 985 892 A 55 ASP H A 54 VAL HG21 1.0 . 3.90 986 893 A 54 VAL HG21 A 58 TYR H 1.0 . 4.74 987 894 A 54 VAL HG21 A 58 TYR HBx 1.0 . 4.14 988 895 A 54 VAL HG21 A 58 TYR HD% 1.0 . 4.37 989 896 A 54 VAL HG21 A 58 TYR HE% 1.0 . 5.50 990 897 A 54 VAL HG21 A 59 TYR H 1.0 . 4.16 991 898 A 54 VAL HG21 A 59 TYR HA 1.0 . 3.59 992 899 A 54 VAL HG21 A 59 TYR HBy 1.0 . 4.73 993 900 A 54 VAL HG21 A 59 TYR HBx 1.0 . 4.43 994 901 A 54 VAL HG21 A 59 TYR HD% 1.0 . 3.93 995 902 A 54 VAL HG21 A 59 TYR HE% 1.0 . 5.16 996 903 A 54 VAL HG21 A 60 ASP H 1.0 . 5.50 997 904 A 54 VAL HG21 A 82 THR HB 1.0 . 4.59 998 905 A 100 VAL HA A 55 ASP H 1.0 . 3.87 999 906 A 100 VAL HG11 A 55 ASP H 1.0 . 4.41 1000 907 A 100 VAL HG21 A 55 ASP H 1.0 . 5.75 1001 908 A 55 ASP H A 55 ASP HBy 1.0 . 3.24 1002 909 A 55 ASP H A 55 ASP HBx 1.0 . 3.31 1003 910 A 55 ASP H A 57 ASP H 1.0 . 5.04 1004 911 A 55 ASP H A 58 TYR HD% 1.0 . 4.71 1005 912 A 55 ASP H A 59 TYR H 1.0 . 5.50 1006 913 A 99 ARG HA A 55 ASP H 1.0 . 5.50 1007 914 A 99 ARG HBx A 55 ASP H 1.0 . 5.08 1008 915 A 55 ASP HA A 99 ARG HDx 1.0 . 4.18 1009 915 A 99 ARG HDy A 55 ASP HA 1.0 . 4.18 1010 916 A 55 ASP HBy A 57 ASP H 1.0 . 4.38 1011 917 A 55 ASP HBy A 57 ASP HBy 1.0 . 4.42 1012 918 A 55 ASP HBy A 57 ASP HBx 1.0 . 5.50 1013 919 A 55 ASP HBy A 58 TYR H 1.0 . 3.86 1014 920 A 55 ASP HBy A 58 TYR HD% 1.0 . 3.59 1015 921 A 55 ASP HBy A 58 TYR HE% 1.0 . 4.45 1016 922 A 55 ASP HBy A 59 TYR H 1.0 . 5.50 1017 923 A 100 VAL HA A 55 ASP HBx 1.0 . 5.50 1018 924 A 55 ASP HBx A 57 ASP H 1.0 . 5.46 1019 925 A 55 ASP HBx A 58 TYR HD% 1.0 . 3.77 1020 926 A 55 ASP HBx A 58 TYR HE% 1.0 . 5.07 1021 927 A 99 ARG HBx A 55 ASP HBx 1.0 . 4.10 1022 928 A 99 ARG HBy A 55 ASP HBx 1.0 . 4.59 1023 929 A 57 ASP H A 57 ASP HA 1.0 . 2.92 1024 930 A 57 ASP H A 57 ASP HBy 1.0 . 3.56 1025 931 A 57 ASP H A 57 ASP HBx 1.0 . 3.71 1026 932 A 58 TYR H A 57 ASP H 1.0 . 3.61 1027 933 A 58 TYR HD% A 57 ASP H 1.0 . 4.65 1028 934 A 58 TYR HE% A 57 ASP H 1.0 . 5.50 1029 935 A 59 TYR H A 57 ASP H 1.0 . 4.68 1030 936 A 60 ASP H A 57 ASP H 1.0 . 5.08 1031 937 A 58 TYR H A 57 ASP HBy 1.0 . 4.03 1032 938 A 58 TYR HD% A 57 ASP HBy 1.0 . 4.38 1033 939 A 58 TYR HE% A 57 ASP HBy 1.0 . 4.78 1034 940 A 58 TYR H A 57 ASP HBx 1.0 . 5.05 1035 941 A 57 ASP HBx A 58 TYR HBy 1.0 . 5.42 1036 942 A 58 TYR HD% A 57 ASP HBx 1.0 . 4.73 1037 943 A 58 TYR HE% A 57 ASP HBx 1.0 . 5.12 1038 944 A 58 TYR H A 58 TYR HBy 1.0 . 3.77 1039 945 A 58 TYR H A 58 TYR HBx 1.0 . 3.16 1040 946 A 58 TYR H A 58 TYR HD% 1.0 . 3.73 1041 947 A 58 TYR H A 58 TYR HE% 1.0 . 4.93 1042 948 A 59 TYR H A 58 TYR H 1.0 . 3.21 1043 949 A 59 TYR HA A 58 TYR H 1.0 . 5.15 1044 950 A 59 TYR HBy A 58 TYR H 1.0 . 4.92 1045 951 A 58 TYR H A 60 ASP H 1.0 . 5.39 1046 952 A 58 TYR HD% A 58 TYR HA 1.0 . 3.62 1047 953 A 58 TYR HE% A 58 TYR HA 1.0 . 4.83 1048 954 A 58 TYR HA A 61 ALA HB1 1.0 . 3.92 1049 955 A 59 TYR H A 58 TYR HBy 1.0 . 5.05 1050 956 A 58 TYR HBy A 98 ILE HG1y 1.0 . 4.54 1051 957 A 58 TYR HBy A 98 ILE HG1x 1.0 . 5.50 1052 958 A 59 TYR H A 58 TYR HBx 1.0 . 4.48 1053 959 A 58 TYR HBx A 98 ILE H 1.0 . 5.50 1054 960 A 59 TYR H A 58 TYR HD% 1.0 . 4.37 1055 961 A 95 ILE H A 58 TYR HD% 1.0 . 4.92 1056 962 A 58 TYR HD% A 95 ILE HA 1.0 . 3.72 1057 963 A 58 TYR HD% A 95 ILE HB 1.0 . 4.65 1058 964 A 58 TYR HD% A 98 ILE H 1.0 . 4.95 1059 965 A 58 TYR HD% A 98 ILE HA 1.0 . 5.46 1060 966 A 58 TYR HE% A 95 ILE HA 1.0 . 3.63 1061 967 A 58 TYR HE% A 95 ILE HB 1.0 . 5.50 1062 968 A 58 TYR HE% A 95 ILE HG21 1.0 . 5.27 1063 969 A 97 GLY HAx A 58 TYR HE% 1.0 . 5.39 1064 970 A 58 TYR HE% A 98 ILE H 1.0 . 4.55 1065 971 A 58 TYR HE% A 98 ILE HA 1.0 . 5.50 1066 972 A 99 ARG HBx A 58 TYR HE% 1.0 . 5.08 1067 973 A 99 ARG HBy A 58 TYR HE% 1.0 . 5.42 1068 974 A 59 TYR H A 59 TYR HBy 1.0 . 3.32 1069 975 A 59 TYR H A 59 TYR HBx 1.0 . 3.25 1070 976 A 59 TYR H A 59 TYR HD% 1.0 . 4.13 1071 977 A 59 TYR H A 60 ASP H 1.0 . 3.79 1072 978 A 59 TYR H A 60 ASP HBy 1.0 . 4.85 1073 979 A 59 TYR H A 62 LEU HD11 1.0 . 5.50 1074 980 A 82 THR HG21 A 59 TYR H 1.0 . 4.93 1075 981 A 59 TYR HA A 59 TYR HD% 1.0 . 3.31 1076 982 A 59 TYR HE% A 59 TYR HA 1.0 . 4.62 1077 983 A 59 TYR HA A 61 ALA H 1.0 . 4.53 1078 984 A 59 TYR HA A 62 LEU H 1.0 . 4.25 1079 985 A 59 TYR HA A 62 LEU HBy 1.0 . 3.60 1080 986 A 59 TYR HA A 62 LEU HBx 1.0 . 3.86 1081 987 A 59 TYR HA A 62 LEU HD11 1.0 . 3.57 1082 988 A 59 TYR HBy A 60 ASP H 1.0 . 3.61 1083 989 A 59 TYR HBy A 60 ASP HA 1.0 . 4.14 1084 990 A 59 TYR HBy A 61 ALA H 1.0 . 5.06 1085 991 A 59 TYR HBy A 62 LEU HD11 1.0 . 5.50 1086 992 A 82 THR HA A 59 TYR HBy 1.0 . 5.38 1087 993 A 82 THR HB A 59 TYR HBy 1.0 . 4.55 1088 994 A 82 THR HG21 A 59 TYR HBy 1.0 . 4.21 1089 995 A 59 TYR HBx A 60 ASP H 1.0 . 3.97 1090 996 A 59 TYR HBx A 62 LEU H 1.0 . 5.50 1091 997 A 82 THR HA A 59 TYR HBx 1.0 . 4.75 1092 998 A 82 THR HB A 59 TYR HBx 1.0 . 4.05 1093 999 A 82 THR HG21 A 59 TYR HBx 1.0 . 4.21 1094 1000 A 59 TYR HD% A 62 LEU HD11 1.0 . 4.13 1095 1001 A 82 THR HA A 59 TYR HD% 1.0 . 3.24 1096 1002 A 82 THR HB A 59 TYR HD% 1.0 . 3.15 1097 1003 A 82 THR HG21 A 59 TYR HD% 1.0 . 3.87 1098 1004 A 59 TYR HD% A 84 ARG HGx 1.0 . 4.91 1099 1005 A 59 TYR HE% A 62 LEU HBy 1.0 . 5.50 1100 1006 A 59 TYR HE% A 62 LEU HBx 1.0 . 5.50 1101 1007 A 59 TYR HE% A 62 LEU HD11 1.0 . 4.15 1102 1008 A 82 THR H A 59 TYR HE% 1.0 . 5.50 1103 1009 A 59 TYR HE% A 82 THR HA 1.0 . 3.34 1104 1010 A 59 TYR HE% A 82 THR HB 1.0 . 4.38 1105 1011 A 59 TYR HE% A 82 THR HG21 1.0 . 4.62 1106 1012 A 83 SER HA A 59 TYR HE% 1.0 . 5.50 1107 1013 A 84 ARG H A 59 TYR HE% 1.0 . 5.50 1108 1014 A 59 TYR HE% A 84 ARG HA 1.0 . 4.57 1109 1015 A 84 ARG HBy A 59 TYR HE% 1.0 . 5.15 1110 1016 A 59 TYR HE% A 84 ARG HDy 1.0 . 4.60 1111 1017 A 59 TYR HE% A 84 ARG HDx 1.0 . 3.71 1112 1018 A 59 TYR HE% A 84 ARG HGy 1.0 . 3.54 1113 1019 A 59 TYR HE% A 84 ARG HGx 1.0 . 3.97 1114 1020 A 60 ASP H A 60 ASP HBy 1.0 . 3.47 1115 1021 A 60 ASP H A 60 ASP HBx 1.0 . 3.90 1116 1022 A 60 ASP H A 61 ALA H 1.0 . 3.37 1117 1023 A 60 ASP H A 61 ALA HB1 1.0 . 4.33 1118 1024 A 60 ASP H A 62 LEU H 1.0 . 4.74 1119 1025 A 62 LEU H A 60 ASP HA 1.0 . 4.24 1120 1026 A 60 ASP HBy A 61 ALA H 1.0 . 4.49 1121 1027 A 61 ALA HB1 A 60 ASP HBy 1.0 . 5.03 1122 1028 A 60 ASP HBy A 62 LEU H 1.0 . 5.37 1123 1029 A 61 ALA H A 60 ASP HBx 1.0 . 4.33 1124 1030 A 62 LEU H A 60 ASP HBx 1.0 . 5.50 1125 1031 A 61 ALA HB1 A 61 ALA H 1.0 . 3.22 1126 1032 A 61 ALA H A 62 LEU H 1.0 . 3.29 1127 1033 A 61 ALA H A 62 LEU HA 1.0 . 5.17 1128 1034 A 61 ALA H A 62 LEU HBy 1.0 . 4.86 1129 1035 A 61 ALA H A 62 LEU HBx 1.0 . 5.38 1130 1036 A 62 LEU HD11 A 61 ALA H 1.0 . 4.70 1131 1037 A 61 ALA H A 62 LEU HD21 1.0 . 5.45 1132 1038 A 61 ALA HB1 A 62 LEU H 1.0 . 4.06 1133 1039 A 61 ALA HB1 A 62 LEU HA 1.0 . 4.96 1134 1040 A 62 LEU H A 62 LEU HBy 1.0 . 3.11 1135 1041 A 62 LEU H A 62 LEU HBx 1.0 . 3.68 1136 1042 A 62 LEU H A 62 LEU HG 1.0 . 3.91 1137 1043 A 62 LEU HD11 A 62 LEU H 1.0 . 4.84 1138 1044 A 62 LEU H A 62 LEU HD21 1.0 . 4.19 1139 1045 A 62 LEU H A 63 PRO HDx 1.0 . 5.29 1140 1046 A 62 LEU HA A 62 LEU HG 1.0 . 3.37 1141 1047 A 62 LEU HA A 62 LEU HD21 1.0 . 3.35 1142 1048 A 62 LEU HA A 63 PRO HDx 1.0 . 3.47 1143 1049 A 62 LEU HA A 63 PRO HDy 1.0 . 3.01 1144 1050 A 62 LEU HA A 63 PRO HGx 1.0 . 4.46 1145 1051 A 62 LEU HA A 89 ILE HD11 1.0 . 4.01 1146 1052 A 62 LEU HD11 A 62 LEU HBy 1.0 . 3.27 1147 1053 A 62 LEU HBy A 63 PRO HDx 1.0 . 4.50 1148 1054 A 62 LEU HD11 A 62 LEU HBx 1.0 . 3.94 1149 1055 A 62 LEU HBx A 63 PRO HDx 1.0 . 3.77 1150 1056 A 62 LEU HBx A 63 PRO HDy 1.0 . 4.09 1151 1057 A 62 LEU HBx A 63 PRO HGy 1.0 . 4.22 1152 1058 A 62 LEU HBx A 64 GLU HGx 1.0 . 5.80 1153 1058 A 62 LEU HBx A 64 GLU HGy 1.0 . 5.80 1154 1059 A 84 ARG HDx A 62 LEU HBx 1.0 . 5.50 1155 1060 A 62 LEU HG A 63 PRO HDx 1.0 . 4.95 1156 1061 A 62 LEU HD11 A 84 ARG HDy 1.0 . 5.07 1157 1062 A 84 ARG HDx A 62 LEU HD11 1.0 . 3.91 1158 1063 A 62 LEU HD21 A 63 PRO HDx 1.0 . 4.17 1159 1064 A 62 LEU HD21 A 89 ILE HA 1.0 . 5.15 1160 1065 A 62 LEU HD21 A 89 ILE HD11 1.0 . 3.55 1161 1066 A 62 LEU HD21 A 89 ILE HG21 1.0 . 4.52 1162 1067 A 90 LYS H A 62 LEU HD21 1.0 . 4.98 1163 1068 A 63 PRO HA A 64 GLU H 1.0 . 2.73 1164 1069 A 63 PRO HA A 64 GLU HBx 1.0 . 4.42 1165 1069 A 63 PRO HA A 64 GLU HBy 1.0 . 4.42 1166 1070 A 64 GLU H A 63 PRO HBy 1.0 . 3.46 1167 1071 A 64 GLU H A 63 PRO HBx 1.0 . 4.17 1168 1072 A 63 PRO HDx A 89 ILE HD11 1.0 . 5.50 1169 1073 A 63 PRO HGx A 64 GLU H 1.0 . 5.50 1170 1074 A 63 PRO HGx A 89 ILE HD11 1.0 . 5.50 1171 1075 A 64 GLU H A 64 GLU HBx 1.0 . 3.13 1172 1075 A 64 GLU H A 64 GLU HBy 1.0 . 3.13 1173 1076 A 64 GLU H A 64 GLU HGx 1.0 . 3.85 1174 1076 A 64 GLU HGy A 64 GLU H 1.0 . 3.85 1175 1077 A 64 GLU HA A 64 GLU HBx 1.0 . 2.99 1176 1077 A 64 GLU HBy A 64 GLU HA 1.0 . 2.99 1177 1078 A 64 GLU HA A 64 GLU HGx 1.0 . 3.24 1178 1078 A 64 GLU HGy A 64 GLU HA 1.0 . 3.24 1179 1079 A 64 GLU HA A 65 PRO HDy 1.0 . 3.93 1180 1080 A 70 ASN HD21 A 64 GLU HBx 1.0 . 4.30 1181 1080 A 64 GLU HBy A 70 ASN HD21 1.0 . 4.30 1182 1081 A 64 GLU HBy A 70 ASN HBx 1.0 . 5.50 1183 1081 A 64 GLU HBx A 70 ASN HBx 1.0 . 5.50 1184 1081 A 70 ASN HBy A 64 GLU HBx 1.0 . 5.50 1185 1081 A 64 GLU HBy A 70 ASN HBy 1.0 . 5.50 1186 1082 A 65 PRO HDy A 64 GLU HGx 1.0 . 5.50 1187 1082 A 64 GLU HGy A 65 PRO HDy 1.0 . 5.50 1188 1083 A 65 PRO HDx A 64 GLU HGx 1.0 . 5.00 1189 1083 A 64 GLU HGy A 65 PRO HDx 1.0 . 5.00 1190 1084 A 65 PRO HA A 66 GLU H 1.0 . 2.99 1191 1085 A 65 PRO HA A 85 LEU HD21 1.0 . 5.07 1192 1086 A 66 GLU H A 65 PRO HBy 1.0 . 4.06 1193 1087 A 65 PRO HBy A 69 GLU H 1.0 . 5.17 1194 1088 A 65 PRO HBy A 69 GLU HBx 1.0 . 2.79 1195 1089 A 65 PRO HBy A 73 LEU HD11 1.0 . 4.13 1196 1089 A 65 PRO HBy A 73 LEU HD21 1.0 . 4.13 1197 1090 A 85 LEU HD21 A 65 PRO HBx 1.0 . 3.81 1198 1091 A 65 PRO HDy A 70 ASN HBx 1.0 . 4.51 1199 1091 A 65 PRO HDy A 70 ASN HBy 1.0 . 4.51 1200 1092 A 65 PRO HDy A 73 LEU HD11 1.0 . 4.94 1201 1093 A 65 PRO HDy A 85 LEU HD21 1.0 . 4.00 1202 1094 A 65 PRO HDx A 70 ASN H 1.0 . 5.70 1203 1095 A 65 PRO HDx A 73 LEU HD11 1.0 . 5.50 1204 1095 A 65 PRO HDx A 73 LEU HD21 1.0 . 5.50 1205 1096 A 65 PRO HGy A 70 ASN HA 1.0 . 3.59 1206 1097 A 65 PRO HGy A 85 LEU HBy 1.0 . 5.50 1207 1098 A 66 GLU H A 66 GLU HGy 1.0 . 4.13 1208 1099 A 66 GLU H A 66 GLU HGx 1.0 . 3.56 1209 1100 A 66 GLU H A 66 GLU HBx 1.0 . 3.36 1210 1100 A 66 GLU H A 66 GLU HBy 1.0 . 3.36 1211 1101 A 66 GLU H A 68 ASP H 1.0 . 5.50 1212 1102 A 66 GLU H A 69 GLU H 1.0 . 4.78 1213 1103 A 66 GLU H A 69 GLU HBy 1.0 . 4.43 1214 1104 A 66 GLU H A 70 ASN H 1.0 . 5.23 1215 1105 A 66 GLU HGy A 66 GLU HA 1.0 . 4.00 1216 1106 A 66 GLU HGx A 66 GLU HA 1.0 . 3.35 1217 1107 A 66 GLU HA A 67 ASP H 1.0 . 2.89 1218 1108 A 70 ASN HD21 A 66 GLU HA 1.0 . 5.50 1219 1109 A 66 GLU HGy A 67 ASP H 1.0 . 4.47 1220 1110 A 66 GLU HGy A 68 ASP H 1.0 . 4.99 1221 1111 A 69 GLU H A 66 GLU HGy 1.0 . 5.50 1222 1112 A 66 GLU HGx A 67 ASP H 1.0 . 5.03 1223 1113 A 69 GLU H A 66 GLU HGx 1.0 . 5.50 1224 1114 A 67 ASP H A 66 GLU HBx 1.0 . 3.61 1225 1114 A 66 GLU HBy A 67 ASP H 1.0 . 3.61 1226 1115 A 67 ASP HA A 66 GLU HBx 1.0 . 4.76 1227 1115 A 66 GLU HBy A 67 ASP HA 1.0 . 4.76 1228 1116 A 68 ASP H A 66 GLU HBx 1.0 . 4.12 1229 1116 A 66 GLU HBy A 68 ASP H 1.0 . 4.12 1230 1117 A 69 GLU H A 66 GLU HBx 1.0 . 4.83 1231 1117 A 69 GLU H A 66 GLU HBy 1.0 . 4.83 1232 1118 A 67 ASP H A 67 ASP HBy 1.0 . 3.47 1233 1119 A 67 ASP H A 67 ASP HBx 1.0 . 3.23 1234 1120 A 68 ASP H A 67 ASP H 1.0 . 3.52 1235 1121 A 69 GLU H A 67 ASP H 1.0 . 4.89 1236 1122 A 70 ASN H A 67 ASP H 1.0 . 5.34 1237 1123 A 70 ASN HD21 A 67 ASP H 1.0 . 5.50 1238 1124 A 67 ASP H A 70 ASN HD22 1.0 . 5.50 1239 1125 A 69 GLU H A 67 ASP HA 1.0 . 4.10 1240 1126 A 70 ASN H A 67 ASP HA 1.0 . 4.14 1241 1127 A 70 ASN HD21 A 67 ASP HA 1.0 . 4.22 1242 1128 A 67 ASP HA A 70 ASN HD22 1.0 . 3.70 1243 1129 A 67 ASP HBy A 70 ASN HD22 1.0 . 4.65 1244 1130 A 68 ASP H A 67 ASP HBx 1.0 . 3.51 1245 1131 A 68 ASP H A 68 ASP HBy 1.0 . 3.44 1246 1132 A 68 ASP H A 68 ASP HBx 1.0 . 3.20 1247 1133 A 69 GLU H A 68 ASP H 1.0 . 3.38 1248 1134 A 68 ASP H A 69 GLU HA 1.0 . 4.94 1249 1135 A 70 ASN H A 68 ASP H 1.0 . 4.68 1250 1136 A 68 ASP H A 71 ASP H 1.0 . 4.91 1251 1137 A 68 ASP HBy A 68 ASP HA 1.0 . 2.82 1252 1138 A 68 ASP HA A 72 MET HGx 1.0 . 4.48 1253 1138 A 68 ASP HA A 72 MET HGy 1.0 . 4.48 1254 1139 A 69 GLU H A 68 ASP HBy 1.0 . 4.14 1255 1140 A 69 GLU H A 68 ASP HBx 1.0 . 4.02 1256 1141 A 69 GLU H A 69 GLU HBy 1.0 . 3.43 1257 1142 A 69 GLU H A 70 ASN H 1.0 . 3.44 1258 1143 A 69 GLU HA A 69 GLU HGx 1.0 . 4.07 1259 1143 A 69 GLU HA A 69 GLU HGy 1.0 . 4.07 1260 1144 A 69 GLU HA A 72 MET HGx 1.0 . 3.65 1261 1144 A 69 GLU HA A 72 MET HGy 1.0 . 3.65 1262 1145 A 70 ASN H A 69 GLU HBy 1.0 . 3.62 1263 1146 A 70 ASN HD21 A 70 ASN H 1.0 . 4.96 1264 1147 A 70 ASN H A 70 ASN HBx 1.0 . 2.93 1265 1147 A 70 ASN HBy A 70 ASN H 1.0 . 2.93 1266 1148 A 70 ASN H A 71 ASP H 1.0 . 3.43 1267 1149 A 70 ASN H A 71 ASP HBx 1.0 . 5.12 1268 1150 A 70 ASN H A 73 LEU HG 1.0 . 5.50 1269 1151 A 70 ASN HD21 A 70 ASN HA 1.0 . 5.22 1270 1152 A 70 ASN HA A 73 LEU HBy 1.0 . 4.28 1271 1153 A 70 ASN HA A 73 LEU HG 1.0 . 3.75 1272 1154 A 70 ASN HA A 74 ASP H 1.0 . 4.48 1273 1155 A 70 ASN HD21 A 70 ASN HBx 1.0 . 3.71 1274 1155 A 70 ASN HD21 A 70 ASN HBy 1.0 . 3.71 1275 1156 A 70 ASN HD22 A 70 ASN HBx 1.0 . 3.36 1276 1156 A 70 ASN HBy A 70 ASN HD22 1.0 . 3.36 1277 1157 A 71 ASP H A 70 ASN HBx 1.0 . 3.74 1278 1157 A 70 ASN HBy A 71 ASP H 1.0 . 3.74 1279 1158 A 73 LEU HG A 70 ASN HBx 1.0 . 5.50 1280 1158 A 70 ASN HBy A 73 LEU HG 1.0 . 5.50 1281 1159 A 71 ASP H A 71 ASP HBx 1.0 . 3.56 1282 1160 A 71 ASP H A 71 ASP HBy 1.0 . 2.96 1283 1161 A 71 ASP H A 72 MET H 1.0 . 3.78 1284 1162 A 71 ASP H A 72 MET HBx 1.0 . 5.12 1285 1162 A 71 ASP H A 72 MET HBy 1.0 . 5.12 1286 1163 A 71 ASP H A 72 MET HGx 1.0 . 4.51 1287 1163 A 71 ASP H A 72 MET HGy 1.0 . 4.51 1288 1164 A 71 ASP H A 73 LEU HG 1.0 . 4.37 1289 1165 A 71 ASP H A 74 ASP H 1.0 . 5.50 1290 1166 A 71 ASP HBx A 71 ASP HA 1.0 . 3.00 1291 1167 A 74 ASP H A 71 ASP HA 1.0 . 3.69 1292 1168 A 71 ASP HA A 75 LEU HD21 1.0 . 4.30 1293 1169 A 71 ASP HBx A 72 MET H 1.0 . 4.29 1294 1170 A 71 ASP HBy A 72 MET H 1.0 . 4.18 1295 1171 A 71 ASP HBy A 73 LEU H 1.0 . 5.25 1296 1172 A 71 ASP HBy A 75 LEU HG 1.0 . 5.12 1297 1173 A 72 MET H A 73 LEU H 1.0 . 4.08 1298 1174 A 73 LEU HBy A 72 MET H 1.0 . 5.01 1299 1175 A 74 ASP H A 72 MET H 1.0 . 4.83 1300 1176 A 72 MET H A 75 LEU HG 1.0 . 5.50 1301 1177 A 75 LEU HG A 72 MET HA 1.0 . 3.96 1302 1178 A 72 MET HA A 75 LEU HD11 1.0 . 3.53 1303 1179 A 73 LEU HA A 72 MET HBx 1.0 . 4.21 1304 1179 A 72 MET HBy A 73 LEU HA 1.0 . 4.21 1305 1180 A 73 LEU HG A 72 MET HGx 1.0 . 5.50 1306 1180 A 72 MET HGy A 73 LEU HG 1.0 . 5.50 1307 1181 A 73 LEU HBy A 73 LEU H 1.0 . 3.62 1308 1182 A 73 LEU H A 73 LEU HBx 1.0 . 4.10 1309 1183 A 73 LEU HG A 73 LEU H 1.0 . 4.13 1310 1184 A 73 LEU H A 73 LEU HD11 1.0 . 5.20 1311 1184 A 73 LEU HD21 A 73 LEU H 1.0 . 5.20 1312 1185 A 74 ASP H A 73 LEU H 1.0 . 3.64 1313 1186 A 73 LEU H A 75 LEU H 1.0 . 5.45 1314 1187 A 73 LEU H A 76 ALA H 1.0 . 5.50 1315 1188 A 73 LEU H A 79 LEU HD11 1.0 . 4.30 1316 1189 A 73 LEU HD21 A 73 LEU HA 1.0 . 4.01 1317 1190 A 73 LEU HA A 73 LEU HD11 1.0 . 3.92 1318 1190 A 73 LEU HD21 A 73 LEU HA 1.0 . 3.92 1319 1191 A 73 LEU HA A 75 LEU HBy 1.0 . 5.41 1320 1192 A 73 LEU HA A 76 ALA H 1.0 . 4.06 1321 1193 A 73 LEU HA A 76 ALA HB1 1.0 . 4.05 1322 1194 A 73 LEU HBy A 74 ASP H 1.0 . 3.82 1323 1195 A 73 LEU HBx A 73 LEU HD11 1.0 . 3.53 1324 1195 A 73 LEU HD21 A 73 LEU HBx 1.0 . 3.53 1325 1196 A 74 ASP H A 73 LEU HBx 1.0 . 4.29 1326 1197 A 73 LEU HBx A 74 ASP HA 1.0 . 4.91 1327 1198 A 73 LEU HBx A 75 LEU H 1.0 . 5.50 1328 1199 A 73 LEU HBx A 79 LEU HD11 1.0 . 3.63 1329 1200 A 73 LEU HBx A 79 LEU HD21 1.0 . 3.86 1330 1201 A 73 LEU HG A 74 ASP H 1.0 . 4.29 1331 1202 A 74 ASP H A 73 LEU HD11 1.0 . 5.50 1332 1202 A 73 LEU HD21 A 74 ASP H 1.0 . 5.50 1333 1203 A 83 SER HBy A 73 LEU HD11 1.0 . 4.47 1334 1203 A 73 LEU HD21 A 83 SER HBy 1.0 . 4.47 1335 1204 A 84 ARG H A 73 LEU HD11 1.0 . 5.50 1336 1204 A 84 ARG H A 73 LEU HD21 1.0 . 5.50 1337 1205 A 84 ARG HA A 73 LEU HD11 1.0 . 4.80 1338 1205 A 84 ARG HA A 73 LEU HD21 1.0 . 4.80 1339 1206 A 74 ASP H A 74 ASP HBy 1.0 . 3.04 1340 1207 A 74 ASP H A 74 ASP HBx 1.0 . 3.44 1341 1208 A 74 ASP H A 75 LEU H 1.0 . 3.57 1342 1209 A 74 ASP H A 75 LEU HBy 1.0 . 5.50 1343 1210 A 74 ASP H A 75 LEU HG 1.0 . 4.75 1344 1211 A 74 ASP H A 75 LEU HD21 1.0 . 5.50 1345 1212 A 74 ASP H A 76 ALA H 1.0 . 4.72 1346 1213 A 74 ASP H A 76 ALA HB1 1.0 . 5.26 1347 1214 A 74 ASP H A 79 LEU HBy 1.0 . 5.69 1348 1215 A 74 ASP H A 79 LEU HBx 1.0 . 5.27 1349 1216 A 74 ASP H A 79 LEU HG 1.0 . 5.90 1350 1217 A 74 ASP H A 79 LEU HD11 1.0 . 3.70 1351 1218 A 74 ASP H A 79 LEU HD21 1.0 . 4.49 1352 1219 A 79 LEU HD11 A 74 ASP HA 1.0 . 3.50 1353 1220 A 75 LEU H A 74 ASP HBy 1.0 . 4.01 1354 1221 A 75 LEU HG A 74 ASP HBy 1.0 . 5.17 1355 1222 A 75 LEU HD21 A 74 ASP HBy 1.0 . 4.17 1356 1223 A 75 LEU H A 74 ASP HBx 1.0 . 4.26 1357 1224 A 75 LEU HG A 74 ASP HBx 1.0 . 5.10 1358 1225 A 75 LEU HD21 A 74 ASP HBx 1.0 . 3.89 1359 1226 A 76 ALA H A 74 ASP HBx 1.0 . 5.50 1360 1227 A 75 LEU H A 75 LEU HBy 1.0 . 3.63 1361 1228 A 75 LEU H A 75 LEU HBx 1.0 . 3.64 1362 1229 A 75 LEU HG A 75 LEU H 1.0 . 3.18 1363 1230 A 75 LEU HD11 A 75 LEU H 1.0 . 3.73 1364 1231 A 75 LEU HD21 A 75 LEU H 1.0 . 4.31 1365 1232 A 75 LEU H A 76 ALA H 1.0 . 3.25 1366 1233 A 75 LEU H A 76 ALA HB1 1.0 . 5.04 1367 1234 A 75 LEU HD21 A 75 LEU HA 1.0 . 3.02 1368 1235 A 75 LEU HD11 A 75 LEU HBy 1.0 . 4.00 1369 1236 A 75 LEU HD21 A 75 LEU HBy 1.0 . 3.87 1370 1237 A 75 LEU HD11 A 75 LEU HBx 1.0 . 2.62 1371 1238 A 75 LEU HD21 A 75 LEU HBx 1.0 . 3.14 1372 1239 A 76 ALA H A 75 LEU HBx 1.0 . 5.42 1373 1240 A 76 ALA H A 76 ALA HB1 1.0 . 3.42 1374 1241 A 76 ALA H A 77 TYR H 1.0 . 4.96 1375 1242 A 76 ALA H A 79 LEU HD11 1.0 . 5.40 1376 1243 A 77 TYR H A 76 ALA HA 1.0 . 3.03 1377 1244 A 76 ALA HA A 77 TYR HBx 1.0 . 4.78 1378 1245 A 76 ALA HB1 A 77 TYR H 1.0 . 3.97 1379 1246 A 76 ALA HB1 A 77 TYR HA 1.0 . 5.50 1380 1247 A 76 ALA HB1 A 77 TYR HBx 1.0 . 5.50 1381 1248 A 76 ALA HB1 A 79 LEU H 1.0 . 5.16 1382 1249 A 77 TYR H A 77 TYR HBy 1.0 . 3.53 1383 1250 A 77 TYR H A 77 TYR HBx 1.0 . 3.57 1384 1251 A 77 TYR H A 77 TYR HBx 1.0 . 3.41 1385 1251 A 77 TYR H A 77 TYR HBy 1.0 . 3.41 1386 1252 A 77 TYR H A 77 TYR HD% 1.0 . 4.22 1387 1253 A 77 TYR H A 78 GLY H 1.0 . 5.49 1388 1254 A 77 TYR HA A 77 TYR HD% 1.0 . 3.51 1389 1255 A 77 TYR HA A 77 TYR HE% 1.0 . 5.17 1390 1256 A 77 TYR HA A 78 GLY H 1.0 . 3.57 1391 1257 A 77 TYR HA A 78 GLY HAx 1.0 . 4.86 1392 1258 A 77 TYR HA A 79 LEU H 1.0 . 4.22 1393 1259 A 77 TYR HBy A 78 GLY H 1.0 . 5.03 1394 1260 A 77 TYR HBy A 78 GLY HAx 1.0 . 5.10 1395 1261 A 78 GLY H A 77 TYR HBx 1.0 . 5.06 1396 1262 A 78 GLY HAx A 77 TYR HBx 1.0 . 4.26 1397 1262 A 77 TYR HBy A 78 GLY HAx 1.0 . 4.26 1398 1263 A 77 TYR HD% A 78 GLY H 1.0 . 3.92 1399 1264 A 77 TYR HD% A 78 GLY HAy 1.0 . 5.49 1400 1265 A 77 TYR HD% A 78 GLY HAx 1.0 . 4.64 1401 1266 A 79 LEU H A 78 GLY H 1.0 . 4.19 1402 1267 A 79 LEU H A 78 GLY HAy 1.0 . 3.54 1403 1268 A 79 LEU HBy A 78 GLY HAy 1.0 . 5.10 1404 1269 A 79 LEU HBy A 79 LEU H 1.0 . 3.14 1405 1270 A 79 LEU HBx A 79 LEU H 1.0 . 2.78 1406 1271 A 79 LEU HD11 A 79 LEU H 1.0 . 4.17 1407 1272 A 79 LEU H A 80 THR H 1.0 . 4.84 1408 1273 A 79 LEU HG A 79 LEU HA 1.0 . 3.93 1409 1274 A 79 LEU HD21 A 79 LEU HA 1.0 . 3.28 1410 1275 A 80 THR H A 79 LEU HA 1.0 . 3.06 1411 1276 A 79 LEU HD11 A 79 LEU HBy 1.0 . 2.83 1412 1277 A 79 LEU HBy A 80 THR H 1.0 . 4.81 1413 1278 A 79 LEU HD21 A 79 LEU HBx 1.0 . 3.57 1414 1279 A 79 LEU HG A 80 THR H 1.0 . 4.12 1415 1280 A 83 SER H A 79 LEU HG 1.0 . 4.51 1416 1281 A 83 SER HA A 79 LEU HG 1.0 . 5.30 1417 1282 A 79 LEU HD11 A 80 THR H 1.0 . 5.09 1418 1283 A 79 LEU HD21 A 80 THR H 1.0 . 3.90 1419 1284 A 83 SER H A 79 LEU HD21 1.0 . 4.07 1420 1285 A 83 SER HA A 79 LEU HD21 1.0 . 4.34 1421 1286 A 79 LEU HD21 A 83 SER HBy 1.0 . 3.80 1422 1287 A 79 LEU HD21 A 83 SER HBx 1.0 . 3.73 1423 1288 A 80 THR HG21 A 80 THR H 1.0 . 3.88 1424 1289 A 80 THR H A 81 GLU H 1.0 . 5.10 1425 1290 A 82 THR H A 80 THR H 1.0 . 4.79 1426 1291 A 83 SER H A 80 THR H 1.0 . 4.12 1427 1292 A 83 SER HA A 80 THR H 1.0 . 4.75 1428 1293 A 83 SER HBy A 80 THR H 1.0 . 4.16 1429 1294 A 80 THR H A 83 SER HBx 1.0 . 4.13 1430 1295 A 80 THR HG21 A 80 THR HA 1.0 . 3.22 1431 1296 A 81 GLU H A 80 THR HA 1.0 . 3.10 1432 1297 A 80 THR HA A 81 GLU HGy 1.0 . 5.50 1433 1298 A 82 THR H A 80 THR HA 1.0 . 4.54 1434 1299 A 80 THR HB A 81 GLU H 1.0 . 3.12 1435 1300 A 80 THR HB A 81 GLU HA 1.0 . 4.85 1436 1301 A 80 THR HB A 82 THR H 1.0 . 4.08 1437 1302 A 83 SER HA A 80 THR HB 1.0 . 5.50 1438 1303 A 80 THR HG21 A 81 GLU H 1.0 . 4.11 1439 1304 A 80 THR HG21 A 81 GLU HBx 1.0 . 3.81 1440 1305 A 80 THR HG21 A 82 THR H 1.0 . 4.51 1441 1306 A 83 SER HA A 80 THR HG21 1.0 . 5.46 1442 1307 A 81 GLU H A 81 GLU HBx 1.0 . 3.35 1443 1308 A 81 GLU H A 81 GLU HBy 1.0 . 3.85 1444 1309 A 81 GLU H A 81 GLU HGy 1.0 . 3.95 1445 1310 A 82 THR H A 81 GLU H 1.0 . 3.72 1446 1311 A 82 THR HA A 81 GLU H 1.0 . 5.50 1447 1312 A 82 THR HG21 A 81 GLU H 1.0 . 5.50 1448 1313 A 83 SER H A 81 GLU H 1.0 . 5.11 1449 1314 A 81 GLU HA A 81 GLU HGy 1.0 . 3.73 1450 1315 A 81 GLU HA A 81 GLU HGy 1.0 . 3.56 1451 1315 A 81 GLU HA A 81 GLU HGx 1.0 . 3.56 1452 1316 A 82 THR HA A 81 GLU HA 1.0 . 4.73 1453 1317 A 82 THR HG21 A 81 GLU HA 1.0 . 4.91 1454 1318 A 83 SER H A 81 GLU HA 1.0 . 4.24 1455 1319 A 82 THR HG21 A 81 GLU HBx 1.0 . 4.04 1456 1320 A 82 THR H A 81 GLU HBy 1.0 . 4.99 1457 1321 A 82 THR HG21 A 81 GLU HBy 1.0 . 4.26 1458 1322 A 82 THR H A 82 THR HG21 1.0 . 4.10 1459 1323 A 82 THR H A 83 SER H 1.0 . 3.17 1460 1324 A 83 SER HA A 82 THR H 1.0 . 4.41 1461 1325 A 82 THR H A 83 SER HBx 1.0 . 5.08 1462 1326 A 82 THR HA A 82 THR HG21 1.0 . 3.35 1463 1327 A 83 SER H A 82 THR HA 1.0 . 3.05 1464 1328 A 83 SER H A 82 THR HB 1.0 . 4.40 1465 1329 A 83 SER H A 82 THR HG21 1.0 . 5.07 1466 1330 A 83 SER H A 83 SER HBy 1.0 . 3.38 1467 1331 A 83 SER H A 83 SER HBx 1.0 . 2.99 1468 1332 A 83 SER HA A 84 ARG H 1.0 . 3.03 1469 1333 A 84 ARG H A 83 SER HBy 1.0 . 3.88 1470 1334 A 84 ARG H A 83 SER HBx 1.0 . 4.67 1471 1335 A 84 ARG H A 84 ARG HGy 1.0 . 5.25 1472 1336 A 84 ARG HA A 84 ARG HDy 1.0 . 3.81 1473 1337 A 84 ARG HDx A 84 ARG HA 1.0 . 4.65 1474 1338 A 84 ARG HGx A 84 ARG HA 1.0 . 4.11 1475 1339 A 84 ARG HA A 85 LEU H 1.0 . 3.54 1476 1340 A 84 ARG HA A 85 LEU HBy 1.0 . 4.58 1477 1341 A 89 ILE HG21 A 84 ARG HBx 1.0 . 3.86 1478 1342 A 84 ARG HBy A 85 LEU H 1.0 . 5.48 1479 1343 A 84 ARG HDy A 89 ILE HG21 1.0 . 5.50 1480 1344 A 84 ARG HDx A 89 ILE HG21 1.0 . 5.50 1481 1345 A 85 LEU HD21 A 85 LEU HA 1.0 . 5.50 1482 1346 A 85 LEU HD21 A 85 LEU HBy 1.0 . 2.48 1483 1347 A 89 ILE H A 89 ILE HB 1.0 . 3.81 1484 1348 A 89 ILE H A 89 ILE HD11 1.0 . 4.83 1485 1349 A 89 ILE H A 89 ILE HG21 1.0 . 5.50 1486 1350 A 90 LYS H A 89 ILE H 1.0 . 4.87 1487 1351 A 89 ILE HA A 89 ILE HG1y 1.0 . 4.21 1488 1352 A 89 ILE HD11 A 89 ILE HA 1.0 . 3.57 1489 1353 A 90 LYS H A 89 ILE HA 1.0 . 2.80 1490 1354 A 89 ILE HD11 A 89 ILE HB 1.0 . 3.54 1491 1355 A 90 LYS H A 89 ILE HB 1.0 . 4.57 1492 1356 A 90 LYS H A 89 ILE HG1y 1.0 . 3.54 1493 1357 A 90 LYS H A 89 ILE HD11 1.0 . 3.93 1494 1358 A 90 LYS HA A 89 ILE HD11 1.0 . 4.49 1495 1359 A 89 ILE HD11 A 90 LYS HGx 1.0 . 4.55 1496 1360 A 89 ILE HD11 A 90 LYS HEx 1.0 . 5.50 1497 1360 A 90 LYS HEy A 89 ILE HD11 1.0 . 5.50 1498 1361 A 89 ILE HG21 A 89 ILE HG1x 1.0 . 4.04 1499 1362 A 89 ILE HG21 A 89 ILE HG1y 1.0 . 3.85 1500 1363 A 90 LYS H A 89 ILE HG21 1.0 . 5.18 1501 1364 A 89 ILE HG21 A 90 LYS HGx 1.0 . 5.17 1502 1365 A 90 LYS H A 90 LYS HBy 1.0 . 3.56 1503 1366 A 90 LYS HBx A 90 LYS H 1.0 . 3.97 1504 1367 A 90 LYS HGy A 90 LYS H 1.0 . 3.83 1505 1368 A 90 LYS H A 90 LYS HGx 1.0 . 4.66 1506 1369 A 90 LYS H A 90 LYS HDx 1.0 . 3.88 1507 1369 A 90 LYS HDy A 90 LYS H 1.0 . 3.88 1508 1370 A 90 LYS H A 90 LYS HEx 1.0 . 5.50 1509 1370 A 90 LYS HEy A 90 LYS H 1.0 . 5.50 1510 1371 A 90 LYS HA A 90 LYS HGx 1.0 . 4.18 1511 1372 A 90 LYS HA A 90 LYS HDx 1.0 . 4.39 1512 1372 A 90 LYS HDy A 90 LYS HA 1.0 . 4.39 1513 1373 A 91 MET H A 90 LYS HA 1.0 . 2.98 1514 1374 A 90 LYS HA A 91 MET HBx 1.0 . 4.93 1515 1374 A 91 MET HBy A 90 LYS HA 1.0 . 4.93 1516 1375 A 91 MET H A 90 LYS HBy 1.0 . 3.45 1517 1376 A 90 LYS HBx A 90 LYS HEx 1.0 . 4.71 1518 1376 A 90 LYS HBx A 90 LYS HEy 1.0 . 4.71 1519 1377 A 91 MET HGy A 90 LYS HBx 1.0 . 5.50 1520 1378 A 90 LYS HGy A 90 LYS HEx 1.0 . 3.72 1521 1378 A 90 LYS HGy A 90 LYS HEy 1.0 . 3.72 1522 1379 A 91 MET H A 90 LYS HGy 1.0 . 4.87 1523 1380 A 90 LYS HGx A 90 LYS HEx 1.0 . 4.20 1524 1380 A 90 LYS HEy A 90 LYS HGx 1.0 . 4.20 1525 1381 A 90 LYS HDy A 90 LYS HEx 1.0 . 2.96 1526 1381 A 90 LYS HDx A 90 LYS HEx 1.0 . 2.96 1527 1381 A 90 LYS HEy A 90 LYS HDx 1.0 . 2.96 1528 1381 A 90 LYS HDy A 90 LYS HEy 1.0 . 2.96 1529 1382 A 91 MET H A 90 LYS HDx 1.0 . 3.78 1530 1382 A 91 MET H A 90 LYS HDy 1.0 . 3.78 1531 1383 A 91 MET HA A 90 LYS HDx 1.0 . 4.64 1532 1383 A 91 MET HA A 90 LYS HDy 1.0 . 4.64 1533 1384 A 90 LYS HDx A 91 MET HBx 1.0 . 4.86 1534 1384 A 90 LYS HDy A 91 MET HBx 1.0 . 4.86 1535 1384 A 91 MET HBy A 90 LYS HDx 1.0 . 4.86 1536 1384 A 91 MET HBy A 90 LYS HDy 1.0 . 4.86 1537 1385 A 92 SER H A 90 LYS HDx 1.0 . 4.79 1538 1385 A 92 SER H A 90 LYS HDy 1.0 . 4.79 1539 1386 A 91 MET H A 91 MET HGy 1.0 . 4.14 1540 1387 A 91 MET H A 91 MET HGx 1.0 . 3.93 1541 1388 A 91 MET H A 91 MET HBx 1.0 . 3.57 1542 1388 A 91 MET H A 91 MET HBy 1.0 . 3.57 1543 1389 A 91 MET H A 92 SER H 1.0 . 4.72 1544 1390 A 91 MET HA A 92 SER H 1.0 . 2.82 1545 1391 A 91 MET HA A 92 SER HBx 1.0 . 5.34 1546 1392 A 91 MET HA A 95 ILE HD11 1.0 . 3.70 1547 1393 A 91 MET HGy A 92 SER H 1.0 . 5.29 1548 1394 A 91 MET HGx A 95 ILE HD11 1.0 . 4.74 1549 1395 A 92 SER H A 91 MET HBx 1.0 . 4.64 1550 1395 A 91 MET HBy A 92 SER H 1.0 . 4.64 1551 1396 A 95 ILE HD11 A 91 MET HBx 1.0 . 4.95 1552 1396 A 91 MET HBy A 95 ILE HD11 1.0 . 4.95 1553 1397 A 92 SER H A 92 SER HBx 1.0 . 3.98 1554 1398 A 92 SER H A 95 ILE HB 1.0 . 4.70 1555 1399 A 92 SER H A 95 ILE HG1x 1.0 . 3.58 1556 1400 A 92 SER H A 95 ILE HG1y 1.0 . 3.64 1557 1401 A 92 SER H A 95 ILE HD11 1.0 . 3.80 1558 1402 A 92 SER H A 95 ILE HG21 1.0 . 4.74 1559 1403 A 92 SER HA A 93 LYS H 1.0 . 3.30 1560 1404 A 92 SER HA A 94 ASP H 1.0 . 4.53 1561 1405 A 92 SER HA A 95 ILE H 1.0 . 5.50 1562 1406 A 92 SER HA A 95 ILE HG1y 1.0 . 5.49 1563 1407 A 92 SER HA A 95 ILE HD11 1.0 . 5.38 1564 1408 A 93 LYS H A 92 SER HBy 1.0 . 3.50 1565 1409 A 94 ASP H A 92 SER HBy 1.0 . 4.06 1566 1410 A 95 ILE H A 92 SER HBy 1.0 . 5.11 1567 1411 A 93 LYS H A 92 SER HBx 1.0 . 4.21 1568 1412 A 94 ASP H A 92 SER HBx 1.0 . 4.73 1569 1413 A 95 ILE H A 92 SER HBx 1.0 . 5.50 1570 1414 A 93 LYS H A 93 LYS HBy 1.0 . 3.55 1571 1415 A 93 LYS H A 93 LYS HGy 1.0 . 4.36 1572 1416 A 93 LYS H A 94 ASP H 1.0 . 3.81 1573 1417 A 93 LYS H A 94 ASP HA 1.0 . 5.50 1574 1418 A 93 LYS H A 95 ILE H 1.0 . 5.50 1575 1419 A 93 LYS HA A 93 LYS HEx 1.0 . 4.54 1576 1420 A 93 LYS HA A 93 LYS HGy 1.0 . 3.84 1577 1421 A 93 LYS HA A 95 ILE H 1.0 . 4.78 1578 1422 A 93 LYS HA A 95 ILE HG1y 1.0 . 4.29 1579 1423 A 94 ASP H A 93 LYS HBy 1.0 . 4.22 1580 1424 A 94 ASP H A 94 ASP HBx 1.0 . 3.66 1581 1425 A 94 ASP H A 94 ASP HBy 1.0 . 3.83 1582 1426 A 94 ASP H A 95 ILE H 1.0 . 3.83 1583 1427 A 94 ASP H A 95 ILE HG1x 1.0 . 5.45 1584 1428 A 94 ASP H A 95 ILE HG1y 1.0 . 4.70 1585 1429 A 94 ASP H A 95 ILE HG21 1.0 . 5.50 1586 1430 A 96 ASP H A 94 ASP HA 1.0 . 5.06 1587 1431 A 95 ILE H A 94 ASP HBx 1.0 . 4.24 1588 1432 A 95 ILE HG21 A 94 ASP HBx 1.0 . 4.55 1589 1433 A 95 ILE H A 94 ASP HBy 1.0 . 4.19 1590 1434 A 95 ILE HA A 94 ASP HBy 1.0 . 4.23 1591 1435 A 95 ILE H A 95 ILE HG1x 1.0 . 3.49 1592 1436 A 95 ILE H A 95 ILE HG1y 1.0 . 3.80 1593 1437 A 95 ILE H A 95 ILE HD11 1.0 . 4.49 1594 1438 A 95 ILE H A 95 ILE HG21 1.0 . 4.26 1595 1439 A 95 ILE H A 96 ASP H 1.0 . 3.68 1596 1440 A 96 ASP HA A 95 ILE H 1.0 . 5.05 1597 1441 A 95 ILE H A 96 ASP HBx 1.0 . 4.98 1598 1442 A 95 ILE H A 98 ILE HB 1.0 . 5.50 1599 1443 A 95 ILE HA A 95 ILE HG21 1.0 . 3.37 1600 1444 A 97 GLY H A 95 ILE HA 1.0 . 4.50 1601 1445 A 98 ILE H A 95 ILE HA 1.0 . 3.81 1602 1446 A 95 ILE HA A 98 ILE HB 1.0 . 4.50 1603 1447 A 98 ILE HG1y A 95 ILE HA 1.0 . 4.71 1604 1448 A 95 ILE HB A 95 ILE HD11 1.0 . 3.68 1605 1449 A 96 ASP H A 95 ILE HB 1.0 . 4.80 1606 1450 A 97 GLY H A 95 ILE HB 1.0 . 5.32 1607 1451 A 98 ILE H A 95 ILE HB 1.0 . 4.14 1608 1452 A 95 ILE HB A 98 ILE HG21 1.0 . 4.29 1609 1453 A 96 ASP H A 95 ILE HG1y 1.0 . 4.86 1610 1454 A 96 ASP HA A 95 ILE HG1y 1.0 . 5.50 1611 1455 A 97 GLY H A 95 ILE HG1y 1.0 . 4.06 1612 1456 A 95 ILE HG1y A 98 ILE HG21 1.0 . 4.49 1613 1457 A 97 GLY H A 95 ILE HD11 1.0 . 4.09 1614 1458 A 98 ILE H A 95 ILE HD11 1.0 . 4.76 1615 1459 A 96 ASP HA A 95 ILE HG21 1.0 . 5.50 1616 1460 A 96 ASP H A 96 ASP HBy 1.0 . 3.26 1617 1461 A 96 ASP H A 96 ASP HBx 1.0 . 2.96 1618 1462 A 97 GLY H A 96 ASP H 1.0 . 4.55 1619 1463 A 97 GLY H A 96 ASP HA 1.0 . 3.16 1620 1464 A 97 GLY H A 96 ASP HBy 1.0 . 5.06 1621 1465 A 97 GLY H A 96 ASP HBx 1.0 . 4.43 1622 1466 A 97 GLY H A 98 ILE H 1.0 . 3.58 1623 1467 A 98 ILE H A 98 ILE HB 1.0 . 3.20 1624 1468 A 98 ILE HD11 A 98 ILE H 1.0 . 4.52 1625 1469 A 99 ARG HA A 98 ILE HD11 1.0 . 5.50 1626 1470 A 98 ILE HD11 A 99 ARG HBy 1.0 . 4.90 1627 1471 A 100 VAL HG21 A 98 ILE HG21 1.0 . 4.98 1628 1472 A 100 VAL H A 99 ARG HA 1.0 . 3.04 1629 1473 A 99 ARG HA A 100 VAL HG11 1.0 . 4.85 1630 1474 A 99 ARG HA A 100 VAL HG21 1.0 . 4.86 1631 1475 A 99 ARG HA A 99 ARG HDx 1.0 . 5.10 1632 1475 A 99 ARG HA A 99 ARG HDy 1.0 . 5.10 1633 1476 A 100 VAL H A 99 ARG HBx 1.0 . 4.66 1634 1477 A 99 ARG HBx A 100 VAL HA 1.0 . 4.89 1635 1478 A 99 ARG HBx A 99 ARG HDx 1.0 . 3.17 1636 1478 A 99 ARG HBx A 99 ARG HDy 1.0 . 3.17 1637 1479 A 99 ARG HBy A 99 ARG HDx 1.0 . 4.12 1638 1479 A 99 ARG HBy A 99 ARG HDy 1.0 . 4.12 1639 1480 A 100 VAL H A 99 ARG HGy 1.0 . 5.04 1640 1481 A 99 ARG HGy A 100 VAL HG21 1.0 . 5.28 1641 1482 A 100 VAL H A 99 ARG HGx 1.0 . 5.00 1642 1483 A 100 VAL H A 99 ARG HDx 1.0 . 5.50 1643 1483 A 100 VAL H A 99 ARG HDy 1.0 . 5.50 1644 1484 A 100 VAL H A 100 VAL HG11 1.0 . 4.21 1645 1485 A 100 VAL H A 100 VAL HG21 1.0 . 3.70 1646 1486 A 100 VAL HG11 A 100 VAL HA 1.0 . 3.35 1647 1487 A 101 ALA H A 100 VAL HA 1.0 . 3.21 1648 1488 A 101 ALA HB1 A 100 VAL HA 1.0 . 4.04 1649 1489 A 101 ALA H A 100 VAL HB 1.0 . 4.00 1650 1490 A 101 ALA HA A 100 VAL HB 1.0 . 4.55 1651 1491 A 100 VAL HG11 A 101 ALA H 1.0 . 4.70 1652 1492 A 100 VAL HG21 A 101 ALA H 1.0 . 5.50 1653 1493 A 100 VAL HG21 A 101 ALA HA 1.0 . 5.40 1654 1494 A 100 VAL HG21 A 101 ALA HB1 1.0 . 5.50 1655 1495 A 100 VAL HG21 A 102 LEU H 1.0 . 5.50 1656 1496 A 100 VAL HG21 A 102 LEU HBy 1.0 . 5.50 1657 1497 A 100 VAL HG21 A 102 LEU HG 1.0 . 5.50 1658 1498 A 100 VAL HG21 A 102 LEU HD11 1.0 . 5.04 1659 1498 A 100 VAL HG21 A 102 LEU HD21 1.0 . 5.04 1660 1499 A 101 ALA H A 101 ALA HB1 1.0 . 3.60 1661 1500 A 101 ALA H A 102 LEU H 1.0 . 5.46 1662 1501 A 101 ALA HA A 102 LEU H 1.0 . 3.04 1663 1502 A 101 ALA HA A 102 LEU HBy 1.0 . 4.81 1664 1503 A 102 LEU H A 101 ALA HB1 1.0 . 3.79 1665 1504 A 102 LEU H A 102 LEU HBy 1.0 . 3.34 1666 1505 A 102 LEU H A 102 LEU HD11 1.0 . 4.16 1667 1506 A 102 LEU H A 102 LEU HD11 1.0 . 5.40 1668 1506 A 102 LEU HD21 A 102 LEU H 1.0 . 5.40 1669 1507 A 102 LEU HA A 102 LEU HD11 1.0 . 4.82 1670 1507 A 102 LEU HD21 A 102 LEU HA 1.0 . 4.82 1671 1508 A 102 LEU HBy A 102 LEU HD11 1.0 . 3.75 1672 1508 A 102 LEU HD21 A 102 LEU HBy 1.0 . 3.75 1673 1509 A 113 ASP HA A 114 PHE H 1.0 . 3.33 1674 1510 A 114 PHE H A 113 ASP HBx 1.0 . 4.55 1675 1511 A 114 PHE H A 113 ASP HBy 1.0 . 4.21 1676 1512 A 114 PHE H A 115 SER H 1.0 . 5.50 1677 1513 A 115 SER H A 114 PHE HBy 1.0 . 5.50 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 undefined _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 B 1 FES FE1 A 27 LEU CA 1.0 . 7.05 2 2 A 27 LEU CA B 1 FES FE2 1.0 . 7.05 3 3 B 1 FES FE1 A 72 MET CA 1.0 . 7.75 4 4 B 1 FES FE2 A 72 MET CA 1.0 . 7.05 5 5 B 1 FES FE2 A 69 GLU CA 1.0 . 7.90 6 6 B 1 FES FE1 A 25 THR CA 1.0 . 10.25 7 7 B 1 FES FE2 A 25 THR CA 1.0 . 9.55 8 8 B 1 FES FE2 A 73 LEU CA 1.0 . 9.95 stop_ save_