data_nef_c19717_2mjd 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 19718 PDB 2mjd 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 87 CYS SG 2 1 FES FE2 1 47 CYS SG 2 1 FES FE1 1 50 CYS SG 2 1 FES FE2 1 41 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 56.3 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 29.8 0.3 A 3 GLU N N 15 121.1 0.3 A 4 LEU H H 1 8.47 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 13 175.7 0.3 A 4 LEU CA C 13 53.2 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 15 122.5 0.3 A 5 LYS H H 1 8.58 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 13 175.0 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 15 119.2 0.3 A 6 ILE H H 1 8.18 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 8.58 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 15 122.8 0.3 A 8 PHE H H 1 9.30 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 15 124.1 0.3 A 9 ILE H H 1 9.15 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 15 122.6 0.3 A 10 LEU H H 1 9.04 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 15 126.5 0.3 A 11 LYS H H 1 8.61 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 15 118.7 0.3 A 12 ASP H H 1 7.66 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 8.13 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 15 109.1 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 15 117.9 0.3 A 15 GLN H H 1 8.31 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 15 116.2 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 15 122.7 0.3 A 17 THR H H 1 8.17 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 15 120.1 0.3 A 18 TYR H H 1 9.01 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 C C 13 176.3 0.3 A 18 TYR CA C 13 56.0 0.3 A 18 TYR CB C 13 41.8 0.3 A 18 TYR N N 15 125.4 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 9.17 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 15 118.9 0.3 A 21 CYS H H 1 8.69 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 15 117.3 0.3 A 22 GLU H H 1 8.53 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 15 120.7 0.3 A 23 GLY H H 1 112.3 0.3 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 8.75 0.02 A 24 GLU H H 1 7.13 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 15 119.2 0.3 A 25 THR H H 1 9.10 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 15 120.2 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 7.90 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 8.38 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 15 122.2 0.3 A 30 ALA H H 1 8.32 0.02 A 30 ALA HA H 1 3.34 0.02 A 30 ALA C C 13 180.1 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 15 122.6 0.3 A 31 GLN H H 1 8.63 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 15 115.9 0.3 A 31 GLN NE2 N 15 111.0 0.3 A 32 GLY H H 1 8.23 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 15 108.5 0.3 A 33 HIS H H 1 7.03 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 13 172.8 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 15 115.4 0.3 A 34 ASN H H 1 7.68 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 15 114.0 0.3 A 34 ASN ND2 N 15 112.1 0.3 A 35 LEU H H 1 7.97 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 15 115.7 0.3 A 36 ASP H H 1 8.58 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 15 120.2 0.3 A 37 MET H H 1 7.69 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 15 123.0 0.3 A 38 GLU H H 1 8.94 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 C C 13 177.0 0.3 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 15 126.8 0.3 A 39 GLY C C 13 173.8 0.3 A 39 GLY CA C 13 45.1 0.3 A 39 GLY N N 15 112.5 0.3 A 40 ALA N N 15 120.6 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 52 VAL H H 1 9.40 0.02 A 52 VAL HA H 1 4.61 0.02 A 52 VAL HB H 1 1.80 0.02 A 52 VAL C C 13 172.8 0.3 A 52 VAL CA C 13 59.4 0.3 A 52 VAL CB C 13 36.5 0.3 A 52 VAL CG1 C 13 23.1 0.3 A 52 VAL CG2 C 13 17.5 0.3 A 52 VAL N N 15 119.1 0.3 A 53 ILE H H 1 8.69 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 15 121.9 0.3 A 54 VAL H H 1 8.32 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 15 129.7 0.3 A 55 ASP H H 1 8.15 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 C C 13 176.4 0.3 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 15 129.0 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 56 PRO N N 15 139.3 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 15 117.2 0.3 A 58 TYR H H 1 8.20 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 15 115.7 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 15 119.8 0.3 A 60 ASP H H 1 8.45 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 15 115.3 0.3 A 61 ALA H H 1 7.31 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 15 120.1 0.3 A 62 LEU H H 1 6.78 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 C C 13 174.5 0.3 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 63 PRO N N 15 136.8 0.3 A 64 GLU H H 1 8.55 0.02 A 64 GLU HA H 1 4.18 0.02 A 64 GLU C C 13 175.0 0.3 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 15 124.2 0.3 A 65 PRO HA H 1 4.20 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 13 177.3 0.3 A 65 PRO CA C 13 63.3 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 65 PRO N N 15 137.7 0.3 A 66 GLU H H 1 8.95 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 30.0 0.3 A 66 GLU CG C 13 36.0 0.3 A 66 GLU N N 15 123.0 0.3 A 67 ASP H H 1 8.71 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 40.2 0.3 A 67 ASP N N 15 120.5 0.3 A 68 ASP H H 1 8.43 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 39.2 0.3 A 68 ASP N N 15 116.7 0.3 A 69 GLU H H 1 7.39 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 15 122.7 0.3 A 70 ASN H H 1 8.01 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 15 118.6 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 39.9 0.3 A 71 ASP N N 15 119.3 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 15 117.4 0.3 A 73 LEU H H 1 8.68 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 15 122.6 0.3 A 74 ASP H H 1 7.49 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 15 115.5 0.3 A 75 LEU H H 1 6.98 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 7.69 0.02 A 76 ALA HA H 1 4.10 0.02 A 76 ALA C C 13 177.2 0.3 A 76 ALA CA C 13 52.2 0.3 A 76 ALA CB C 13 18.1 0.3 A 76 ALA N N 15 123.9 0.3 A 77 TYR H H 1 8.04 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 13 177.1 0.3 A 77 TYR CA C 13 57.6 0.3 A 77 TYR CB C 13 38.4 0.3 A 77 TYR N N 15 122.1 0.3 A 78 GLY H H 1 8.46 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 13 174.4 0.3 A 78 GLY CA C 13 46.5 0.3 A 78 GLY N N 15 114.0 0.3 A 79 LEU H H 1 7.11 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 13 176.6 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 15 119.0 0.3 A 80 THR H H 1 9.22 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 15 118.2 0.3 A 81 GLU H H 1 9.04 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 7.67 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 15 106.5 0.3 A 83 SER H H 1 6.94 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 15 121.4 0.3 A 84 ARG H H 1 9.30 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 15 119.0 0.3 A 85 LEU H H 1 9.43 0.02 A 85 LEU HA H 1 3.78 0.02 A 85 LEU HBx H 1 1.45 0.02 A 85 LEU HBy H 1 1.57 0.02 A 85 LEU HG H 1 1.46 0.02 A 85 LEU CA C 13 56.4 0.3 A 85 LEU CB C 13 42.7 0.3 A 85 LEU CD1 C 13 24.7 0.3 A 85 LEU CD2 C 13 23.4 0.3 A 85 LEU CG C 13 26.2 0.3 A 85 LEU N N 15 120.6 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 89 ILE H H 1 6.96 0.02 A 89 ILE HA H 1 4.20 0.02 A 89 ILE HB H 1 1.62 0.02 A 89 ILE HG1x H 1 1.09 0.02 A 89 ILE HG1y H 1 1.44 0.02 A 89 ILE C C 13 173.7 0.3 A 89 ILE CA C 13 59.7 0.3 A 89 ILE CB C 13 39.0 0.3 A 89 ILE CD1 C 13 17.8 0.3 A 89 ILE CG1 C 13 25.1 0.3 A 89 ILE CG2 C 13 12.9 0.3 A 89 ILE N N 15 118.7 0.3 A 90 LYS H H 1 8.32 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 15 124.1 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 15 118.3 0.3 A 92 SER H H 1 6.98 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 15 116.6 0.3 A 93 LYS H H 1 9.27 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 8.04 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 15 116.6 0.3 A 95 ILE H H 1 7.28 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 15 108.9 0.3 A 96 ASP H H 1 6.96 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 15 119.7 0.3 A 97 GLY H H 1 9.26 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 34.8 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 15 115.1 0.3 A 101 ALA H H 1 9.07 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 49.7 0.3 A 101 ALA CB C 13 21.5 0.3 A 101 ALA N N 15 123.5 0.3 A 102 LEU H H 1 8.23 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 C C 13 174.6 0.3 A 102 LEU CA C 13 55.7 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 103 PRO HA H 1 4.29 0.02 A 103 PRO HDy H 1 3.90 0.02 A 103 PRO HDx H 1 3.61 0.02 A 103 PRO C C 13 176.1 0.3 A 103 PRO CA C 13 62.3 0.3 A 103 PRO CB C 13 31.9 0.3 A 103 PRO CD C 13 50.9 0.3 A 103 PRO CG C 13 27.6 0.3 A 103 PRO N N 15 135.1 0.3 A 104 GLN N N 15 122.0 0.3 A 105 MET C C 13 8.22 0.02 A 105 MET CA C 13 4.37 0.02 A 105 MET CB C 13 4.07 0.02 A 106 THR H H 1 175.5 0.3 A 106 THR HA H 1 54.9 0.3 A 106 THR HB H 1 34.0 0.3 A 106 THR C C 13 173.4 0.3 A 106 THR CA C 13 61.2 0.3 A 106 THR CB C 13 70.6 0.3 A 106 THR CG2 C 13 21.8 0.3 A 106 THR N N 15 114.5 0.3 A 107 ARG H H 1 8.22 0.02 A 107 ARG HA H 1 4.24 0.02 A 107 ARG C C 13 175.1 0.3 A 107 ARG CA C 13 55.7 0.3 A 107 ARG CB C 13 29.8 0.3 A 107 ARG N N 15 122.8 0.3 A 108 ASN H H 1 8.32 0.02 A 108 ASN HA H 1 4.42 0.02 A 108 ASN C C 13 176.9 0.3 A 108 ASN CA C 13 54.5 0.3 A 108 ASN CB C 13 39.1 0.3 A 108 ASN N N 15 121.9 0.3 A 109 VAL H H 1 8.45 0.02 A 109 VAL C C 13 175.7 0.3 A 109 VAL CA C 13 63.1 0.3 A 109 VAL CB C 13 33.1 0.3 A 109 VAL N N 15 121.2 0.3 A 110 ASN C C 13 174.8 0.3 A 110 ASN CA C 13 53.1 0.3 A 110 ASN CB C 13 38.9 0.3 A 110 ASN N N 15 121.2 0.3 A 111 ASN C C 13 174.9 0.3 A 111 ASN CA C 13 53.4 0.3 A 111 ASN CB C 13 38.9 0.3 A 111 ASN N N 15 119.5 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 13 174.7 0.3 A 112 ASN CA C 13 53.3 0.3 A 112 ASN CB C 13 39.0 0.3 A 112 ASN N N 15 118.8 0.3 A 113 ASP H H 1 8.06 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 15 120.0 0.3 A 114 PHE H H 1 8.00 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 13 175.0 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 15 120.0 0.3 A 115 SER H H 1 7.77 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 15 122.4 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 HD11 A 16 LYS HEy 1.0 . 4.70 396 362 A 10 LEU HD21 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 HBy A 38 GLU H 1.0 . 4.17 413 375 A 11 LYS HBx A 11 LYS HEy 1.0 . 4.75 414 376 A 12 ASP H A 11 LYS HDx 1.0 . 5.41 415 376 A 12 ASP H A 11 LYS HDy 1.0 . 5.41 416 377 A 13 GLY H A 11 LYS HGx 1.0 . 5.50 417 377 A 13 GLY H A 11 LYS HGy 1.0 . 5.50 418 378 A 37 MET HA A 11 LYS HGx 1.0 . 4.43 419 378 A 11 LYS HGy A 37 MET HA 1.0 . 4.43 420 379 A 37 MET HBy A 11 LYS HGx 1.0 . 3.62 421 379 A 11 LYS HGy A 37 MET HBy 1.0 . 3.62 422 380 A 12 ASP H A 12 ASP HBx 1.0 . 3.90 423 381 A 12 ASP H A 12 ASP HBy 1.0 . 4.19 424 382 A 13 GLY H A 12 ASP H 1.0 . 3.41 425 383 A 13 GLY HAy A 12 ASP H 1.0 . 5.18 426 384 A 14 SER H A 12 ASP H 1.0 . 4.91 427 385 A 13 GLY HAy A 12 ASP HA 1.0 . 5.50 428 386 A 13 GLY HAx A 12 ASP HA 1.0 . 5.50 429 387 A 13 GLY H A 12 ASP HBx 1.0 . 5.46 430 388 A 14 SER H A 12 ASP HBy 1.0 . 5.46 431 389 A 14 SER H A 14 SER HBx 1.0 . 3.70 432 390 A 14 SER H A 15 GLN H 1.0 . 4.95 433 391 A 14 SER HA A 15 GLN H 1.0 . 2.94 434 392 A 15 GLN HA A 14 SER HA 1.0 . 4.94 435 393 A 15 GLN H A 14 SER HBy 1.0 . 3.63 436 394 A 14 SER HBy A 16 LYS HDx 1.0 . 4.39 437 395 A 14 SER HBy A 16 LYS HEx 1.0 . 5.50 438 396 A 14 SER HBy A 16 LYS HGy 1.0 . 3.93 439 397 A 14 SER HBx A 15 GLN H 1.0 . 3.64 440 398 A 15 GLN HE21 A 15 GLN H 1.0 . 5.05 441 399 A 15 GLN HE22 A 15 GLN H 1.0 . 5.50 442 400 A 15 GLN HGy A 15 GLN H 1.0 . 4.16 443 401 A 15 GLN HGx A 15 GLN H 1.0 . 5.14 444 402 A 15 GLN H A 15 GLN HBx 1.0 . 3.40 445 402 A 15 GLN HBy A 15 GLN H 1.0 . 3.40 446 403 A 16 LYS H A 15 GLN H 1.0 . 5.20 447 404 A 15 GLN HA A 15 GLN HGx 1.0 . 3.97 448 405 A 16 LYS H A 15 GLN HA 1.0 . 3.00 449 406 A 16 LYS HBy A 15 GLN HA 1.0 . 5.30 450 407 A 15 GLN HA A 16 LYS HGx 1.0 . 5.50 451 408 A 15 GLN HA A 16 LYS HGy 1.0 . 5.50 452 409 A 16 LYS H A 15 GLN HGx 1.0 . 5.50 453 410 A 15 GLN HGx A 99 ARG HDx 1.0 . 5.50 454 410 A 99 ARG HDy A 15 GLN HGx 1.0 . 5.50 455 411 A 15 GLN HE22 A 15 GLN HBx 1.0 . 5.50 456 411 A 15 GLN HBy A 15 GLN HE22 1.0 . 5.50 457 412 A 16 LYS H A 15 GLN HBx 1.0 . 3.97 458 412 A 16 LYS H A 15 GLN HBy 1.0 . 3.97 459 413 A 17 THR H A 15 GLN HBx 1.0 . 4.54 460 413 A 15 GLN HBy A 17 THR H 1.0 . 4.54 461 414 A 16 LYS H A 16 LYS HBy 1.0 . 4.09 462 415 A 16 LYS H A 16 LYS HDy 1.0 . 5.50 463 416 A 16 LYS H A 16 LYS HGx 1.0 . 4.81 464 417 A 16 LYS H A 16 LYS HGy 1.0 . 4.92 465 418 A 16 LYS H A 17 THR H 1.0 . 4.97 466 419 A 16 LYS H A 17 THR HA 1.0 . 4.65 467 420 A 16 LYS HDy A 16 LYS HA 1.0 . 4.14 468 421 A 16 LYS HDx A 16 LYS HA 1.0 . 4.04 469 422 A 16 LYS HGx A 16 LYS HA 1.0 . 3.83 470 423 A 16 LYS HA A 16 LYS HEy 1.0 . 4.43 471 423 A 16 LYS HA A 16 LYS HEx 1.0 . 4.43 472 424 A 17 THR H A 16 LYS HA 1.0 . 2.82 473 425 A 16 LYS HA A 17 THR HG21 1.0 . 4.58 474 426 A 16 LYS HBx A 16 LYS HEy 1.0 . 4.78 475 427 A 17 THR H A 16 LYS HBx 1.0 . 3.87 476 428 A 16 LYS HBx A 18 TYR HE% 1.0 . 4.06 477 429 A 18 TYR HD% A 16 LYS HBy 1.0 . 5.37 478 430 A 16 LYS HBy A 18 TYR HE% 1.0 . 4.11 479 431 A 17 THR H A 16 LYS HDy 1.0 . 5.12 480 432 A 16 LYS HDy A 18 TYR HE% 1.0 . 5.50 481 433 A 16 LYS HDx A 18 TYR HE% 1.0 . 5.50 482 434 A 18 TYR HE% A 16 LYS HEy 1.0 . 5.50 483 435 A 35 LEU HD21 A 16 LYS HEy 1.0 . 5.50 484 436 A 16 LYS HGx A 16 LYS HEy 1.0 . 3.99 485 437 A 16 LYS HGx A 18 TYR HE% 1.0 . 5.07 486 438 A 35 LEU HD21 A 16 LYS HGx 1.0 . 4.99 487 439 A 16 LYS HGy A 16 LYS HEy 1.0 . 3.61 488 439 A 16 LYS HGy A 16 LYS HEx 1.0 . 3.61 489 440 A 17 THR H A 16 LYS HGy 1.0 . 5.32 490 441 A 35 LEU HD21 A 16 LYS HEy 1.0 . 3.90 491 441 A 35 LEU HD21 A 16 LYS HEx 1.0 . 3.90 492 442 A 17 THR H A 17 THR HB 1.0 . 3.24 493 443 A 17 THR H A 17 THR HG21 1.0 . 4.56 494 444 A 18 TYR HD% A 17 THR H 1.0 . 5.18 495 445 A 17 THR HA A 17 THR HG21 1.0 . 3.48 496 446 A 18 TYR H A 17 THR HA 1.0 . 2.97 497 447 A 18 TYR HD% A 17 THR HA 1.0 . 4.84 498 448 A 18 TYR H A 17 THR HB 1.0 . 4.81 499 449 A 18 TYR H A 17 THR HG21 1.0 . 3.88 500 450 A 17 THR HG21 A 18 TYR HA 1.0 . 5.01 501 451 A 18 TYR H A 18 TYR HBx 1.0 . 3.99 502 452 A 18 TYR H A 18 TYR HD% 1.0 . 4.05 503 453 A 18 TYR HD% A 18 TYR HA 1.0 . 3.37 504 454 A 18 TYR HE% A 18 TYR HA 1.0 . 4.38 505 455 A 20 VAL HG11 A 18 TYR HBy 1.0 . 3.44 506 456 A 18 TYR HBy A 29 ILE HG21 1.0 . 5.07 507 457 A 18 TYR HBx A 20 VAL HG11 1.0 . 3.93 508 458 A 20 VAL HG11 A 18 TYR HD% 1.0 . 4.71 509 459 A 18 TYR HD% A 29 ILE HG21 1.0 . 3.94 510 460 A 18 TYR HD% A 33 HIS H 1.0 . 5.20 511 461 A 18 TYR HD% A 33 HIS HBx 1.0 . 5.50 512 462 A 18 TYR HD% A 33 HIS HBy 1.0 . 5.50 513 463 A 35 LEU HD11 A 18 TYR HD% 1.0 . 4.69 514 464 A 18 TYR HD% A 35 LEU HD21 1.0 . 5.50 515 465 A 18 TYR HE% A 33 HIS H 1.0 . 5.50 516 466 A 18 TYR HE% A 33 HIS HA 1.0 . 5.39 517 467 A 18 TYR HE% A 33 HIS HBx 1.0 . 4.56 518 468 A 18 TYR HE% A 33 HIS HBy 1.0 . 4.37 519 469 A 18 TYR HE% A 35 LEU HG 1.0 . 4.52 520 470 A 35 LEU HD11 A 18 TYR HE% 1.0 . 4.13 521 471 A 35 LEU HD21 A 18 TYR HE% 1.0 . 4.23 522 472 A 20 VAL H A 20 VAL HG11 1.0 . 4.22 523 473 A 20 VAL H A 20 VAL HG21 1.0 . 3.63 524 474 A 20 VAL H A 29 ILE HD11 1.0 . 5.50 525 475 A 20 VAL HG11 A 20 VAL HA 1.0 . 3.53 526 476 A 20 VAL HA A 21 CYS H 1.0 . 3.32 527 477 A 20 VAL HA A 21 CYS HBy 1.0 . 4.14 528 478 A 20 VAL HA A 24 GLU HBx 1.0 . 5.50 529 478 A 20 VAL HA A 24 GLU HBy 1.0 . 5.50 530 479 A 20 VAL HB A 21 CYS H 1.0 . 3.18 531 480 A 24 GLU H A 20 VAL HB 1.0 . 5.50 532 481 A 20 VAL HB A 29 ILE HG1x 1.0 . 4.88 533 482 A 20 VAL HB A 29 ILE HG21 1.0 . 5.50 534 483 A 20 VAL HG11 A 21 CYS H 1.0 . 4.55 535 484 A 20 VAL HG11 A 29 ILE HG1y 1.0 . 4.00 536 485 A 20 VAL HG21 A 21 CYS H 1.0 . 4.48 537 486 A 20 VAL HG21 A 21 CYS HA 1.0 . 4.73 538 487 A 20 VAL HG21 A 21 CYS HBy 1.0 . 5.50 539 488 A 20 VAL HG21 A 21 CYS HBx 1.0 . 5.50 540 489 A 20 VAL HG21 A 22 GLU HA 1.0 . 5.41 541 490 A 20 VAL HG21 A 29 ILE HD11 1.0 . 3.22 542 491 A 20 VAL HG21 A 91 MET H 1.0 . 5.32 543 492 A 20 VAL HG21 A 91 MET HGy 1.0 . 4.12 544 493 A 20 VAL HG21 A 91 MET HGx 1.0 . 4.28 545 494 A 20 VAL HG21 A 91 MET HBx 1.0 . 5.37 546 494 A 20 VAL HG21 A 91 MET HBy 1.0 . 5.37 547 495 A 21 CYS H A 21 CYS HBx 1.0 . 3.90 548 496 A 24 GLU H A 21 CYS H 1.0 . 5.24 549 497 A 21 CYS H A 24 GLU HBx 1.0 . 5.04 550 497 A 21 CYS H A 24 GLU HBy 1.0 . 5.04 551 498 A 21 CYS HA A 22 GLU H 1.0 . 3.07 552 499 A 21 CYS HA A 22 GLU HA 1.0 . 5.12 553 500 A 21 CYS HA A 22 GLU HBx 1.0 . 5.01 554 500 A 21 CYS HA A 22 GLU HBy 1.0 . 5.01 555 501 A 22 GLU H A 21 CYS HBy 1.0 . 3.88 556 502 A 21 CYS HBy A 24 GLU HGy 1.0 . 4.87 557 503 A 22 GLU H A 21 CYS HBx 1.0 . 4.26 558 504 A 21 CYS HBx A 22 GLU HBx 1.0 . 4.69 559 504 A 22 GLU HBy A 21 CYS HBx 1.0 . 4.69 560 505 A 24 GLU H A 21 CYS HBx 1.0 . 5.50 561 506 A 21 CYS HBx A 24 GLU HGy 1.0 . 4.56 562 507 A 22 GLU H A 22 GLU HGx 1.0 . 4.09 563 508 A 22 GLU H A 22 GLU HBx 1.0 . 3.06 564 508 A 22 GLU H A 22 GLU HBy 1.0 . 3.06 565 509 A 22 GLU H A 23 GLY H 1.0 . 5.02 566 510 A 22 GLU H A 24 GLU H 1.0 . 5.39 567 511 A 22 GLU HA A 22 GLU HGy 1.0 . 4.07 568 512 A 22 GLU HA A 22 GLU HGy 1.0 . 3.81 569 512 A 22 GLU HA A 22 GLU HGx 1.0 . 3.81 570 513 A 22 GLU HA A 23 GLY H 1.0 . 2.89 571 514 A 22 GLU HA A 91 MET HGy 1.0 . 4.55 572 515 A 22 GLU HA A 91 MET HBx 1.0 . 3.97 573 515 A 22 GLU HA A 91 MET HBy 1.0 . 3.97 574 516 A 22 GLU HA A 92 SER H 1.0 . 5.50 575 517 A 22 GLU HA A 92 SER HA 1.0 . 4.42 576 518 A 23 GLY H A 22 GLU HGy 1.0 . 4.64 577 519 A 92 SER HA A 22 GLU HGy 1.0 . 4.31 578 520 A 92 SER HBx A 22 GLU HGy 1.0 . 5.50 579 521 A 92 SER HA A 22 GLU HGx 1.0 . 4.60 580 522 A 22 GLU HBy A 22 GLU HGx 1.0 . 2.92 581 522 A 22 GLU HGx A 22 GLU HBx 1.0 . 2.92 582 523 A 22 GLU HBx A 22 GLU HGy 1.0 . 2.89 583 523 A 22 GLU HBy A 22 GLU HGy 1.0 . 2.89 584 523 A 22 GLU HGx A 22 GLU HBx 1.0 . 2.89 585 523 A 22 GLU HBy A 22 GLU HGx 1.0 . 2.89 586 524 A 23 GLY H A 22 GLU HBx 1.0 . 4.35 587 524 A 22 GLU HBy A 23 GLY H 1.0 . 4.35 588 525 A 92 SER H A 22 GLU HBx 1.0 . 5.50 589 525 A 22 GLU HBy A 92 SER H 1.0 . 5.50 590 526 A 92 SER HA A 22 GLU HGy 1.0 . 4.10 591 526 A 92 SER HA A 22 GLU HGx 1.0 . 4.10 592 527 A 23 GLY H A 24 GLU H 1.0 . 3.87 593 528 A 23 GLY H A 90 LYS HBx 1.0 . 4.91 594 529 A 23 GLY H A 90 LYS HDx 1.0 . 4.75 595 529 A 23 GLY H A 90 LYS HDy 1.0 . 4.75 596 530 A 23 GLY H A 91 MET H 1.0 . 4.37 597 531 A 23 GLY H A 91 MET HGy 1.0 . 5.50 598 532 A 23 GLY H A 91 MET HBx 1.0 . 3.81 599 532 A 23 GLY H A 91 MET HBy 1.0 . 3.81 600 533 A 23 GLY H A 92 SER H 1.0 . 5.50 601 534 A 23 GLY H A 92 SER HA 1.0 . 5.08 602 535 A 90 LYS HBx A 23 GLY HAx 1.0 . 4.42 603 535 A 90 LYS HBx A 23 GLY HAy 1.0 . 4.42 604 536 A 90 LYS HGy A 23 GLY HAx 1.0 . 5.50 605 536 A 23 GLY HAy A 90 LYS HGy 1.0 . 5.50 606 537 A 23 GLY HAx A 90 LYS HDx 1.0 . 4.05 607 537 A 23 GLY HAy A 90 LYS HDx 1.0 . 4.05 608 537 A 90 LYS HDy A 23 GLY HAx 1.0 . 4.05 609 537 A 90 LYS HDy A 23 GLY HAy 1.0 . 4.05 610 538 A 23 GLY HAx A 90 LYS HEx 1.0 . 3.43 611 538 A 23 GLY HAy A 90 LYS HEx 1.0 . 3.43 612 538 A 90 LYS HEy A 23 GLY HAx 1.0 . 3.43 613 538 A 23 GLY HAy A 90 LYS HEy 1.0 . 3.43 614 539 A 91 MET H A 23 GLY HAx 1.0 . 4.64 615 539 A 91 MET H A 23 GLY HAy 1.0 . 4.64 616 540 A 24 GLU H A 24 GLU HGy 1.0 . 3.49 617 541 A 24 GLU H A 24 GLU HBx 1.0 . 3.09 618 541 A 24 GLU H A 24 GLU HBy 1.0 . 3.09 619 542 A 24 GLU H A 25 THR H 1.0 . 4.71 620 543 A 24 GLU H A 29 ILE HD11 1.0 . 5.50 621 544 A 24 GLU H A 91 MET H 1.0 . 4.39 622 545 A 24 GLU H A 91 MET HGy 1.0 . 5.36 623 546 A 24 GLU H A 91 MET HBx 1.0 . 4.19 624 546 A 24 GLU H A 91 MET HBy 1.0 . 4.19 625 547 A 24 GLU HA A 24 GLU HGx 1.0 . 4.06 626 548 A 25 THR H A 24 GLU HA 1.0 . 2.95 627 549 A 24 GLU HA A 25 THR HA 1.0 . 4.63 628 550 A 24 GLU HGx A 24 GLU HBx 1.0 . 2.40 629 550 A 24 GLU HBy A 24 GLU HGx 1.0 . 2.40 630 551 A 25 THR H A 24 GLU HBx 1.0 . 3.76 631 551 A 24 GLU HBy A 25 THR H 1.0 . 3.76 632 552 A 28 ASP HBx A 24 GLU HBx 1.0 . 5.17 633 552 A 24 GLU HBy A 28 ASP HBx 1.0 . 5.17 634 553 A 28 ASP HBy A 24 GLU HBx 1.0 . 5.50 635 553 A 24 GLU HBy A 28 ASP HBy 1.0 . 5.50 636 554 A 29 ILE H A 24 GLU HBx 1.0 . 4.70 637 554 A 24 GLU HBy A 29 ILE H 1.0 . 4.70 638 555 A 29 ILE HA A 24 GLU HBx 1.0 . 4.76 639 555 A 24 GLU HBy A 29 ILE HA 1.0 . 4.76 640 556 A 29 ILE HG1x A 24 GLU HBx 1.0 . 4.97 641 556 A 29 ILE HG1x A 24 GLU HBy 1.0 . 4.97 642 557 A 29 ILE HD11 A 24 GLU HBx 1.0 . 4.62 643 557 A 29 ILE HD11 A 24 GLU HBy 1.0 . 4.62 644 558 A 91 MET H A 24 GLU HBx 1.0 . 5.50 645 558 A 91 MET H A 24 GLU HBy 1.0 . 5.50 646 559 A 25 THR H A 25 THR HG21 1.0 . 3.75 647 560 A 26 ILE H A 25 THR H 1.0 . 4.61 648 561 A 25 THR H A 28 ASP H 1.0 . 5.00 649 562 A 25 THR H A 28 ASP HA 1.0 . 5.50 650 563 A 25 THR H A 28 ASP HBx 1.0 . 4.16 651 564 A 25 THR H A 28 ASP HBy 1.0 . 3.69 652 565 A 25 THR H A 29 ILE H 1.0 . 5.38 653 566 A 29 ILE HD11 A 25 THR H 1.0 . 5.04 654 567 A 91 MET H A 25 THR H 1.0 . 5.50 655 568 A 25 THR HA A 25 THR HG21 1.0 . 3.88 656 569 A 26 ILE H A 25 THR HA 1.0 . 3.43 657 570 A 26 ILE HA A 25 THR HA 1.0 . 5.10 658 571 A 26 ILE HB A 25 THR HA 1.0 . 4.76 659 572 A 25 THR HA A 26 ILE HD11 1.0 . 5.25 660 573 A 26 ILE HG21 A 25 THR HA 1.0 . 5.50 661 574 A 29 ILE HD11 A 25 THR HA 1.0 . 5.50 662 575 A 25 THR HA A 90 LYS H 1.0 . 5.23 663 576 A 25 THR HA A 90 LYS HA 1.0 . 3.04 664 577 A 25 THR HA A 90 LYS HBy 1.0 . 4.70 665 578 A 90 LYS HBx A 25 THR HA 1.0 . 4.92 666 579 A 25 THR HA A 90 LYS HDx 1.0 . 5.50 667 579 A 90 LYS HDy A 25 THR HA 1.0 . 5.50 668 580 A 91 MET H A 25 THR HA 1.0 . 4.05 669 581 A 26 ILE H A 25 THR HB 1.0 . 4.02 670 582 A 26 ILE HD11 A 25 THR HB 1.0 . 5.50 671 583 A 28 ASP HBx A 25 THR HB 1.0 . 3.77 672 584 A 28 ASP HBy A 25 THR HB 1.0 . 3.80 673 585 A 29 ILE H A 25 THR HB 1.0 . 5.27 674 586 A 26 ILE H A 25 THR HG21 1.0 . 5.03 675 587 A 25 THR HG21 A 28 ASP H 1.0 . 4.97 676 588 A 25 THR HG21 A 90 LYS HA 1.0 . 3.89 677 589 A 26 ILE H A 26 ILE HB 1.0 . 3.73 678 590 A 26 ILE H A 26 ILE HG1x 1.0 . 4.69 679 591 A 26 ILE H A 26 ILE HG1y 1.0 . 4.08 680 592 A 26 ILE H A 26 ILE HD11 1.0 . 4.30 681 593 A 26 ILE H A 26 ILE HG21 1.0 . 5.02 682 594 A 29 ILE HD11 A 26 ILE H 1.0 . 5.50 683 595 A 26 ILE H A 89 ILE H 1.0 . 5.50 684 596 A 26 ILE H A 90 LYS HA 1.0 . 4.66 685 597 A 91 MET H A 26 ILE H 1.0 . 5.50 686 598 A 26 ILE HA A 100 VAL HG21 1.0 . 5.50 687 599 A 26 ILE HA A 26 ILE HG1x 1.0 . 3.63 688 600 A 26 ILE HA A 26 ILE HG1y 1.0 . 4.03 689 601 A 26 ILE HA A 26 ILE HD11 1.0 . 4.10 690 602 A 26 ILE HA A 26 ILE HG21 1.0 . 3.63 691 603 A 26 ILE HA A 29 ILE H 1.0 . 4.13 692 604 A 29 ILE HB A 26 ILE HA 1.0 . 3.50 693 605 A 26 ILE HA A 29 ILE HG1x 1.0 . 5.11 694 606 A 29 ILE HD11 A 26 ILE HA 1.0 . 3.56 695 607 A 26 ILE HB A 26 ILE HD11 1.0 . 3.91 696 608 A 26 ILE HB A 28 ASP H 1.0 . 5.50 697 609 A 26 ILE HG1y A 100 VAL HG21 1.0 . 5.38 698 610 A 100 VAL HG21 A 26 ILE HD11 1.0 . 4.73 699 611 A 26 ILE HD11 A 90 LYS HA 1.0 . 5.14 700 612 A 91 MET H A 26 ILE HD11 1.0 . 5.47 701 613 A 91 MET HGy A 26 ILE HD11 1.0 . 5.26 702 614 A 26 ILE HG21 A 100 VAL HG21 1.0 . 4.12 703 615 A 26 ILE HG1y A 26 ILE HG21 1.0 . 3.89 704 616 A 26 ILE HG21 A 26 ILE HD11 1.0 . 3.93 705 617 A 26 ILE HG21 A 28 ASP H 1.0 . 5.50 706 618 A 28 ASP HBy A 28 ASP H 1.0 . 3.71 707 619 A 29 ILE H A 28 ASP H 1.0 . 4.07 708 620 A 29 ILE HA A 28 ASP H 1.0 . 5.50 709 621 A 29 ILE HG1y A 28 ASP H 1.0 . 5.50 710 622 A 30 ALA H A 28 ASP H 1.0 . 4.39 711 623 A 28 ASP HA A 31 GLN H 1.0 . 4.13 712 624 A 28 ASP HA A 31 GLN HBy 1.0 . 3.98 713 625 A 28 ASP HBx A 29 ILE H 1.0 . 4.08 714 626 A 28 ASP HBx A 29 ILE HA 1.0 . 4.87 715 627 A 29 ILE HG1y A 28 ASP HBx 1.0 . 5.50 716 628 A 29 ILE HD11 A 28 ASP HBx 1.0 . 4.64 717 629 A 28 ASP HBy A 29 ILE H 1.0 . 3.85 718 630 A 28 ASP HBy A 29 ILE HA 1.0 . 5.05 719 631 A 29 ILE HG1y A 28 ASP HBy 1.0 . 4.59 720 632 A 29 ILE HB A 29 ILE H 1.0 . 2.96 721 633 A 29 ILE HG1x A 29 ILE H 1.0 . 4.00 722 634 A 29 ILE HG1y A 29 ILE H 1.0 . 3.18 723 635 A 29 ILE HD11 A 29 ILE H 1.0 . 4.12 724 636 A 29 ILE HG21 A 29 ILE H 1.0 . 4.64 725 637 A 30 ALA H A 29 ILE H 1.0 . 2.53 726 638 A 29 ILE HG1x A 29 ILE HA 1.0 . 3.59 727 639 A 29 ILE HG1y A 29 ILE HA 1.0 . 3.42 728 640 A 29 ILE HD11 A 29 ILE HA 1.0 . 4.39 729 641 A 29 ILE HG21 A 29 ILE HA 1.0 . 3.44 730 642 A 30 ALA HA A 29 ILE HA 1.0 . 4.87 731 643 A 29 ILE HA A 31 GLN H 1.0 . 4.91 732 644 A 33 HIS HBy A 29 ILE HA 1.0 . 4.91 733 645 A 29 ILE HB A 30 ALA H 1.0 . 3.37 734 646 A 29 ILE HB A 30 ALA HA 1.0 . 4.66 735 647 A 29 ILE HB A 35 LEU HD11 1.0 . 5.50 736 648 A 91 MET H A 29 ILE HD11 1.0 . 5.18 737 649 A 91 MET HGy A 29 ILE HD11 1.0 . 4.08 738 650 A 29 ILE HD11 A 91 MET HGx 1.0 . 3.98 739 651 A 29 ILE HG21 A 29 ILE HG1y 1.0 . 3.55 740 652 A 29 ILE HD11 A 29 ILE HG21 1.0 . 3.23 741 653 A 29 ILE HG21 A 30 ALA H 1.0 . 4.11 742 654 A 29 ILE HG21 A 30 ALA HA 1.0 . 4.47 743 655 A 29 ILE HG21 A 31 GLN H 1.0 . 5.50 744 656 A 29 ILE HG21 A 33 HIS H 1.0 . 3.84 745 657 A 29 ILE HG21 A 34 ASN H 1.0 . 5.50 746 658 A 35 LEU HD11 A 29 ILE HG21 1.0 . 4.86 747 659 A 30 ALA HB1 A 30 ALA H 1.0 . 3.37 748 660 A 30 ALA H A 31 GLN H 1.0 . 3.77 749 661 A 30 ALA H A 31 GLN HA 1.0 . 5.50 750 662 A 30 ALA H A 31 GLN HBy 1.0 . 5.50 751 663 A 35 LEU HD11 A 30 ALA H 1.0 . 5.46 752 664 A 30 ALA HA A 102 LEU HD11 1.0 . 5.50 753 664 A 102 LEU HD21 A 30 ALA HA 1.0 . 5.50 754 665 A 30 ALA HA A 31 GLN HA 1.0 . 5.50 755 666 A 30 ALA HA A 32 GLY H 1.0 . 5.22 756 667 A 30 ALA HA A 33 HIS H 1.0 . 4.12 757 668 A 30 ALA HA A 33 HIS HBx 1.0 . 4.45 758 669 A 30 ALA HA A 33 HIS HBy 1.0 . 3.96 759 670 A 30 ALA HA A 34 ASN H 1.0 . 5.50 760 671 A 30 ALA HA A 35 LEU H 1.0 . 4.11 761 672 A 30 ALA HA A 35 LEU HBy 1.0 . 4.03 762 673 A 30 ALA HA A 35 LEU HBx 1.0 . 4.74 763 674 A 30 ALA HA A 35 LEU HG 1.0 . 3.89 764 675 A 35 LEU HD11 A 30 ALA HA 1.0 . 3.46 765 676 A 30 ALA HA A 35 LEU HD21 1.0 . 4.84 766 677 A 30 ALA HB1 A 31 GLN H 1.0 . 3.80 767 678 A 30 ALA HB1 A 31 GLN HBy 1.0 . 4.49 768 679 A 30 ALA HB1 A 31 GLN HGy 1.0 . 5.08 769 680 A 30 ALA HB1 A 32 GLY H 1.0 . 5.40 770 681 A 35 LEU HD11 A 30 ALA HB1 1.0 . 3.98 771 682 A 31 GLN H A 31 GLN HBy 1.0 . 3.42 772 683 A 31 GLN H A 31 GLN HGy 1.0 . 3.76 773 684 A 31 GLN H A 31 GLN HGx 1.0 . 4.10 774 685 A 31 GLN H A 32 GLY H 1.0 . 3.54 775 686 A 31 GLN H A 32 GLY HAy 1.0 . 5.08 776 687 A 33 HIS H A 31 GLN H 1.0 . 4.81 777 688 A 31 GLN H A 34 ASN H 1.0 . 5.50 778 689 A 31 GLN H A 35 LEU H 1.0 . 5.50 779 690 A 31 GLN HA A 31 GLN HE22 1.0 . 5.50 780 691 A 31 GLN HA A 31 GLN HGy 1.0 . 4.25 781 692 A 31 GLN HA A 31 GLN HGx 1.0 . 3.29 782 693 A 33 HIS H A 31 GLN HA 1.0 . 4.48 783 694 A 34 ASN H A 31 GLN HA 1.0 . 3.96 784 695 A 31 GLN HA A 34 ASN HA 1.0 . 4.28 785 696 A 31 GLN HA A 34 ASN HD22 1.0 . 4.09 786 697 A 31 GLN HA A 35 LEU H 1.0 . 4.04 787 698 A 31 GLN HA A 35 LEU HBy 1.0 . 5.13 788 699 A 31 GLN HBy A 31 GLN HE22 1.0 . 5.50 789 700 A 31 GLN HBy A 31 GLN HGx 1.0 . 2.89 790 701 A 31 GLN HBy A 32 GLY H 1.0 . 3.70 791 702 A 31 GLN HE22 A 31 GLN HBx 1.0 . 5.50 792 703 A 32 GLY H A 31 GLN HBx 1.0 . 4.09 793 704 A 33 HIS H A 31 GLN HBx 1.0 . 5.50 794 705 A 32 GLY H A 31 GLN HGy 1.0 . 5.19 795 706 A 32 GLY H A 31 GLN HGx 1.0 . 5.38 796 707 A 32 GLY H A 32 GLY HAy 1.0 . 2.87 797 708 A 33 HIS H A 32 GLY H 1.0 . 3.57 798 709 A 34 ASN H A 32 GLY H 1.0 . 5.33 799 710 A 32 GLY HAx A 34 ASN HD21 1.0 . 4.76 800 711 A 33 HIS H A 32 GLY HAy 1.0 . 3.51 801 712 A 33 HIS HA A 32 GLY HAy 1.0 . 4.59 802 713 A 34 ASN H A 32 GLY HAy 1.0 . 4.61 803 714 A 32 GLY HAy A 34 ASN HD21 1.0 . 5.50 804 715 A 32 GLY HAy A 34 ASN HD22 1.0 . 5.50 805 716 A 33 HIS H A 33 HIS HBx 1.0 . 3.31 806 717 A 33 HIS H A 33 HIS HBy 1.0 . 3.70 807 718 A 33 HIS H A 34 ASN H 1.0 . 3.32 808 719 A 33 HIS H A 34 ASN HD21 1.0 . 5.08 809 720 A 33 HIS H A 35 LEU H 1.0 . 4.24 810 721 A 33 HIS H A 35 LEU HG 1.0 . 4.84 811 722 A 35 LEU HD11 A 33 HIS H 1.0 . 4.88 812 723 A 33 HIS HA A 34 ASN HBy 1.0 . 5.50 813 724 A 33 HIS HA A 34 ASN HD22 1.0 . 5.50 814 725 A 33 HIS HA A 35 LEU H 1.0 . 5.32 815 726 A 33 HIS HBx A 34 ASN H 1.0 . 4.55 816 727 A 33 HIS HBx A 35 LEU H 1.0 . 4.39 817 728 A 33 HIS HBx A 35 LEU HG 1.0 . 4.40 818 729 A 35 LEU HD11 A 33 HIS HBx 1.0 . 4.97 819 730 A 35 LEU HD21 A 33 HIS HBx 1.0 . 5.50 820 731 A 33 HIS HBy A 34 ASN H 1.0 . 5.34 821 732 A 33 HIS HBy A 35 LEU H 1.0 . 5.40 822 733 A 33 HIS HBy A 35 LEU HG 1.0 . 4.49 823 734 A 35 LEU HD11 A 33 HIS HBy 1.0 . 4.62 824 735 A 35 LEU HD21 A 33 HIS HBy 1.0 . 5.00 825 736 A 34 ASN H A 34 ASN HA 1.0 . 2.77 826 737 A 34 ASN H A 34 ASN HBy 1.0 . 4.08 827 738 A 34 ASN H A 34 ASN HBx 1.0 . 4.08 828 739 A 34 ASN H A 34 ASN HD21 1.0 . 5.50 829 740 A 34 ASN H A 35 LEU H 1.0 . 3.56 830 741 A 35 LEU HG A 34 ASN H 1.0 . 5.10 831 742 A 35 LEU HD11 A 34 ASN H 1.0 . 5.50 832 743 A 34 ASN HA A 34 ASN HBx 1.0 . 2.85 833 744 A 34 ASN HA A 34 ASN HD21 1.0 . 5.43 834 745 A 35 LEU H A 34 ASN HA 1.0 . 3.35 835 746 A 35 LEU H A 34 ASN HBy 1.0 . 4.33 836 747 A 35 LEU H A 34 ASN HBx 1.0 . 5.28 837 748 A 35 LEU H A 35 LEU HBy 1.0 . 3.47 838 749 A 35 LEU H A 35 LEU HBx 1.0 . 3.91 839 750 A 35 LEU HG A 35 LEU H 1.0 . 3.53 840 751 A 35 LEU HD11 A 35 LEU H 1.0 . 4.45 841 752 A 35 LEU HD21 A 35 LEU H 1.0 . 4.25 842 753 A 36 ASP H A 35 LEU H 1.0 . 4.76 843 754 A 35 LEU HG A 35 LEU HA 1.0 . 3.97 844 755 A 35 LEU HD11 A 35 LEU HA 1.0 . 4.33 845 756 A 35 LEU HD21 A 35 LEU HA 1.0 . 3.20 846 757 A 36 ASP H A 35 LEU HA 1.0 . 3.11 847 758 A 35 LEU HD11 A 35 LEU HBy 1.0 . 3.64 848 759 A 36 ASP H A 35 LEU HBy 1.0 . 4.25 849 760 A 35 LEU HD11 A 35 LEU HBx 1.0 . 3.55 850 761 A 35 LEU HD21 A 35 LEU HBx 1.0 . 3.45 851 762 A 36 ASP H A 35 LEU HBx 1.0 . 3.39 852 763 A 35 LEU HBx A 36 ASP HBx 1.0 . 5.50 853 764 A 37 MET HBy A 35 LEU HBx 1.0 . 3.68 854 765 A 35 LEU HD11 A 102 LEU HD11 1.0 . 3.84 855 766 A 35 LEU HD11 A 102 LEU HD11 1.0 . 3.84 856 766 A 35 LEU HD11 A 102 LEU HD21 1.0 . 3.84 857 767 A 35 LEU HD11 A 36 ASP H 1.0 . 5.03 858 768 A 35 LEU HD11 A 37 MET HBx 1.0 . 5.50 859 769 A 35 LEU HD21 A 36 ASP H 1.0 . 4.33 860 770 A 35 LEU HD21 A 36 ASP HA 1.0 . 5.50 861 771 A 36 ASP H A 36 ASP HBx 1.0 . 3.36 862 772 A 36 ASP H A 36 ASP HBy 1.0 . 3.50 863 773 A 36 ASP H A 37 MET H 1.0 . 4.24 864 774 A 36 ASP HA A 37 MET H 1.0 . 2.80 865 775 A 36 ASP HA A 37 MET HGx 1.0 . 4.19 866 775 A 36 ASP HA A 37 MET HGy 1.0 . 4.19 867 776 A 38 GLU H A 36 ASP HA 1.0 . 5.50 868 777 A 36 ASP HBx A 37 MET H 1.0 . 4.51 869 778 A 36 ASP HBy A 37 MET H 1.0 . 5.10 870 779 A 37 MET HBy A 37 MET H 1.0 . 4.03 871 780 A 37 MET HBx A 37 MET H 1.0 . 3.78 872 781 A 37 MET H A 37 MET HGx 1.0 . 4.17 873 781 A 37 MET H A 37 MET HGy 1.0 . 4.17 874 782 A 38 GLU H A 37 MET H 1.0 . 5.18 875 783 A 37 MET HA A 37 MET HGx 1.0 . 3.71 876 783 A 37 MET HA A 37 MET HGy 1.0 . 3.71 877 784 A 38 GLU H A 37 MET HA 1.0 . 3.56 878 785 A 37 MET HA A 38 GLU HGx 1.0 . 4.12 879 785 A 37 MET HA A 38 GLU HGy 1.0 . 4.12 880 786 A 37 MET HBy A 38 GLU H 1.0 . 5.50 881 787 A 38 GLU H A 38 GLU HBx 1.0 . 4.11 882 788 A 38 GLU HA A 38 GLU HGx 1.0 . 4.03 883 788 A 38 GLU HGy A 38 GLU HA 1.0 . 4.03 884 789 A 38 GLU HBy A 38 GLU HGx 1.0 . 2.61 885 789 A 38 GLU HGy A 38 GLU HBy 1.0 . 2.61 886 790 A 52 VAL H A 52 VAL HG11 1.0 . 5.10 887 791 A 52 VAL H A 52 VAL HG21 1.0 . 4.32 888 792 A 52 VAL H A 53 ILE H 1.0 . 5.50 889 793 A 52 VAL H A 53 ILE HA 1.0 . 5.50 890 794 A 52 VAL H A 83 SER HA 1.0 . 5.31 891 795 A 100 VAL HG21 A 52 VAL HA 1.0 . 5.35 892 796 A 101 ALA HB1 A 52 VAL HA 1.0 . 4.82 893 797 A 52 VAL HG11 A 52 VAL HA 1.0 . 3.44 894 798 A 53 ILE H A 52 VAL HA 1.0 . 3.09 895 799 A 53 ILE HA A 52 VAL HA 1.0 . 5.29 896 800 A 52 VAL HA A 53 ILE HG21 1.0 . 4.67 897 801 A 52 VAL HB A 100 VAL HA 1.0 . 5.29 898 802 A 100 VAL HB A 52 VAL HB 1.0 . 3.09 899 803 A 100 VAL HG11 A 52 VAL HB 1.0 . 4.44 900 804 A 100 VAL HG21 A 52 VAL HB 1.0 . 4.13 901 805 A 101 ALA H A 52 VAL HB 1.0 . 4.53 902 806 A 53 ILE H A 52 VAL HB 1.0 . 3.36 903 807 A 53 ILE HA A 52 VAL HB 1.0 . 5.50 904 808 A 100 VAL HB A 52 VAL HG11 1.0 . 4.33 905 809 A 52 VAL HG11 A 53 ILE H 1.0 . 4.47 906 810 A 52 VAL HG11 A 53 ILE HA 1.0 . 4.86 907 811 A 52 VAL HG11 A 54 VAL HB 1.0 . 5.50 908 812 A 52 VAL HG11 A 84 ARG H 1.0 . 5.26 909 813 A 52 VAL HG21 A 53 ILE H 1.0 . 4.35 910 814 A 100 VAL HG21 A 53 ILE H 1.0 . 5.47 911 815 A 101 ALA H A 53 ILE H 1.0 . 4.15 912 816 A 101 ALA HB1 A 53 ILE H 1.0 . 4.10 913 817 A 53 ILE H A 53 ILE HB 1.0 . 3.24 914 818 A 53 ILE H A 53 ILE HG1y 1.0 . 4.26 915 819 A 53 ILE H A 53 ILE HG1x 1.0 . 4.89 916 820 A 53 ILE H A 53 ILE HD11 1.0 . 4.40 917 821 A 53 ILE H A 53 ILE HG21 1.0 . 3.94 918 822 A 53 ILE H A 54 VAL H 1.0 . 5.19 919 823 A 53 ILE H A 83 SER HA 1.0 . 5.32 920 824 A 53 ILE H A 84 ARG H 1.0 . 5.50 921 825 A 101 ALA H A 53 ILE HA 1.0 . 5.50 922 826 A 53 ILE HA A 53 ILE HG1y 1.0 . 3.63 923 827 A 53 ILE HA A 53 ILE HG1x 1.0 . 3.85 924 828 A 53 ILE HA A 53 ILE HD11 1.0 . 3.63 925 829 A 53 ILE HA A 54 VAL H 1.0 . 2.96 926 830 A 53 ILE HA A 54 VAL HB 1.0 . 4.50 927 831 A 53 ILE HA A 54 VAL HG11 1.0 . 4.30 928 832 A 53 ILE HA A 83 SER HA 1.0 . 3.05 929 833 A 53 ILE HA A 84 ARG HBy 1.0 . 4.48 930 834 A 53 ILE HB A 53 ILE HD11 1.0 . 3.37 931 835 A 53 ILE HB A 54 VAL H 1.0 . 5.04 932 836 A 83 SER HA A 53 ILE HB 1.0 . 4.40 933 837 A 101 ALA H A 53 ILE HG1y 1.0 . 4.49 934 838 A 53 ILE HG1y A 54 VAL HA 1.0 . 4.02 935 839 A 53 ILE HG1x A 54 VAL H 1.0 . 5.17 936 840 A 83 SER HA A 53 ILE HG1x 1.0 . 5.50 937 841 A 100 VAL HA A 53 ILE HD11 1.0 . 5.13 938 842 A 53 ILE HD11 A 54 VAL H 1.0 . 4.09 939 843 A 53 ILE HD11 A 54 VAL HA 1.0 . 4.97 940 844 A 54 VAL HB A 53 ILE HD11 1.0 . 5.48 941 845 A 53 ILE HD11 A 55 ASP H 1.0 . 5.50 942 846 A 53 ILE HD11 A 80 THR HB 1.0 . 4.22 943 847 A 53 ILE HD11 A 80 THR HG21 1.0 . 3.77 944 848 A 53 ILE HD11 A 82 THR H 1.0 . 3.39 945 849 A 53 ILE HD11 A 83 SER H 1.0 . 5.28 946 850 A 83 SER HA A 53 ILE HD11 1.0 . 4.14 947 851 A 101 ALA H A 53 ILE HG21 1.0 . 4.54 948 852 A 101 ALA HA A 53 ILE HG21 1.0 . 5.50 949 853 A 101 ALA HB1 A 53 ILE HG21 1.0 . 4.41 950 854 A 102 LEU H A 53 ILE HG21 1.0 . 5.50 951 855 A 53 ILE HG21 A 53 ILE HD11 1.0 . 3.21 952 856 A 53 ILE HG21 A 80 THR HB 1.0 . 5.01 953 857 A 83 SER HA A 53 ILE HG21 1.0 . 4.51 954 858 A 54 VAL HB A 54 VAL H 1.0 . 3.38 955 859 A 54 VAL H A 54 VAL HG11 1.0 . 3.52 956 860 A 54 VAL H A 54 VAL HG21 1.0 . 4.37 957 861 A 54 VAL H A 55 ASP H 1.0 . 5.35 958 862 A 54 VAL H A 59 TYR HE% 1.0 . 5.50 959 863 A 54 VAL H A 82 THR HA 1.0 . 5.16 960 864 A 54 VAL H A 82 THR HB 1.0 . 3.90 961 865 A 54 VAL H A 82 THR HG21 1.0 . 5.34 962 866 A 54 VAL H A 83 SER H 1.0 . 5.22 963 867 A 83 SER HA A 54 VAL H 1.0 . 3.89 964 868 A 84 ARG H A 54 VAL H 1.0 . 4.95 965 869 A 100 VAL H A 54 VAL HA 1.0 . 5.50 966 870 A 100 VAL HA A 54 VAL HA 1.0 . 3.43 967 871 A 100 VAL HB A 54 VAL HA 1.0 . 4.03 968 872 A 100 VAL HG11 A 54 VAL HA 1.0 . 3.63 969 873 A 100 VAL HG21 A 54 VAL HA 1.0 . 5.49 970 874 A 101 ALA H A 54 VAL HA 1.0 . 4.36 971 875 A 54 VAL HG11 A 54 VAL HA 1.0 . 3.70 972 876 A 54 VAL HA A 54 VAL HG21 1.0 . 3.70 973 877 A 54 VAL HA A 55 ASP H 1.0 . 3.16 974 878 A 54 VAL HA A 55 ASP HBy 1.0 . 5.32 975 879 A 54 VAL HA A 55 ASP HBx 1.0 . 4.13 976 880 A 100 VAL HG11 A 54 VAL HB 1.0 . 5.50 977 881 A 54 VAL HB A 55 ASP H 1.0 . 5.30 978 882 A 54 VAL HB A 59 TYR H 1.0 . 5.12 979 883 A 54 VAL HB A 59 TYR HA 1.0 . 4.44 980 884 A 54 VAL HB A 59 TYR HD% 1.0 . 3.21 981 885 A 54 VAL HB A 59 TYR HE% 1.0 . 4.33 982 886 A 54 VAL HB A 82 THR HA 1.0 . 5.39 983 887 A 54 VAL HB A 82 THR HB 1.0 . 3.78 984 888 A 54 VAL HB A 82 THR HG21 1.0 . 5.15 985 889 A 83 SER HA A 54 VAL HB 1.0 . 5.10 986 890 A 100 VAL HG11 A 54 VAL HG11 1.0 . 3.88 987 891 A 54 VAL HG11 A 55 ASP H 1.0 . 4.76 988 892 A 54 VAL HG11 A 59 TYR HA 1.0 . 4.68 989 893 A 54 VAL HG11 A 59 TYR HBy 1.0 . 5.50 990 894 A 54 VAL HG11 A 59 TYR HBx 1.0 . 5.50 991 895 A 54 VAL HG11 A 59 TYR HD% 1.0 . 3.85 992 896 A 54 VAL HG11 A 59 TYR HE% 1.0 . 4.54 993 897 A 54 VAL HG11 A 84 ARG HDx 1.0 . 4.53 994 898 A 54 VAL HG11 A 84 ARG HGy 1.0 . 4.37 995 899 A 100 VAL HG11 A 54 VAL HG21 1.0 . 4.03 996 900 A 100 VAL HG21 A 54 VAL HG21 1.0 . 5.50 997 901 A 55 ASP H A 54 VAL HG21 1.0 . 3.90 998 902 A 54 VAL HG21 A 58 TYR H 1.0 . 4.74 999 903 A 54 VAL HG21 A 58 TYR HBx 1.0 . 4.14 1000 904 A 54 VAL HG21 A 58 TYR HD% 1.0 . 4.37 1001 905 A 54 VAL HG21 A 58 TYR HE% 1.0 . 5.50 1002 906 A 54 VAL HG21 A 59 TYR H 1.0 . 4.16 1003 907 A 54 VAL HG21 A 59 TYR HA 1.0 . 3.59 1004 908 A 54 VAL HG21 A 59 TYR HBy 1.0 . 4.73 1005 909 A 54 VAL HG21 A 59 TYR HBx 1.0 . 4.43 1006 910 A 54 VAL HG21 A 59 TYR HD% 1.0 . 3.93 1007 911 A 54 VAL HG21 A 59 TYR HE% 1.0 . 5.16 1008 912 A 54 VAL HG21 A 60 ASP H 1.0 . 5.50 1009 913 A 54 VAL HG21 A 82 THR HB 1.0 . 4.59 1010 914 A 100 VAL HA A 55 ASP H 1.0 . 3.87 1011 915 A 100 VAL HG11 A 55 ASP H 1.0 . 4.41 1012 916 A 100 VAL HG21 A 55 ASP H 1.0 . 5.75 1013 917 A 55 ASP H A 55 ASP HBy 1.0 . 3.24 1014 918 A 55 ASP H A 55 ASP HBx 1.0 . 3.31 1015 919 A 55 ASP H A 57 ASP H 1.0 . 5.04 1016 920 A 55 ASP H A 58 TYR HD% 1.0 . 4.71 1017 921 A 55 ASP H A 59 TYR H 1.0 . 5.50 1018 922 A 99 ARG HA A 55 ASP H 1.0 . 5.50 1019 923 A 99 ARG HBx A 55 ASP H 1.0 . 5.08 1020 924 A 55 ASP HA A 99 ARG HDx 1.0 . 4.18 1021 924 A 99 ARG HDy A 55 ASP HA 1.0 . 4.18 1022 925 A 55 ASP HBy A 57 ASP H 1.0 . 4.38 1023 926 A 55 ASP HBy A 57 ASP HBy 1.0 . 4.42 1024 927 A 55 ASP HBy A 57 ASP HBx 1.0 . 5.50 1025 928 A 55 ASP HBy A 58 TYR H 1.0 . 3.86 1026 929 A 55 ASP HBy A 58 TYR HD% 1.0 . 3.59 1027 930 A 55 ASP HBy A 58 TYR HE% 1.0 . 4.45 1028 931 A 55 ASP HBy A 59 TYR H 1.0 . 5.50 1029 932 A 100 VAL HA A 55 ASP HBx 1.0 . 5.50 1030 933 A 55 ASP HBx A 57 ASP H 1.0 . 5.46 1031 934 A 55 ASP HBx A 58 TYR HD% 1.0 . 3.77 1032 935 A 55 ASP HBx A 58 TYR HE% 1.0 . 5.07 1033 936 A 99 ARG HBx A 55 ASP HBx 1.0 . 4.10 1034 937 A 99 ARG HBy A 55 ASP HBx 1.0 . 4.59 1035 938 A 57 ASP H A 57 ASP HA 1.0 . 2.92 1036 939 A 57 ASP H A 57 ASP HBy 1.0 . 3.56 1037 940 A 57 ASP H A 57 ASP HBx 1.0 . 3.71 1038 941 A 58 TYR H A 57 ASP H 1.0 . 3.61 1039 942 A 58 TYR HD% A 57 ASP H 1.0 . 4.65 1040 943 A 58 TYR HE% A 57 ASP H 1.0 . 5.50 1041 944 A 59 TYR H A 57 ASP H 1.0 . 4.68 1042 945 A 60 ASP H A 57 ASP H 1.0 . 5.08 1043 946 A 58 TYR H A 57 ASP HBy 1.0 . 4.03 1044 947 A 58 TYR HD% A 57 ASP HBy 1.0 . 4.38 1045 948 A 58 TYR HE% A 57 ASP HBy 1.0 . 4.78 1046 949 A 58 TYR H A 57 ASP HBx 1.0 . 5.05 1047 950 A 57 ASP HBx A 58 TYR HBy 1.0 . 5.42 1048 951 A 58 TYR HD% A 57 ASP HBx 1.0 . 4.73 1049 952 A 58 TYR HE% A 57 ASP HBx 1.0 . 5.12 1050 953 A 58 TYR H A 58 TYR HBy 1.0 . 3.77 1051 954 A 58 TYR H A 58 TYR HBx 1.0 . 3.16 1052 955 A 58 TYR H A 58 TYR HD% 1.0 . 3.73 1053 956 A 58 TYR H A 58 TYR HE% 1.0 . 4.93 1054 957 A 59 TYR H A 58 TYR H 1.0 . 3.21 1055 958 A 59 TYR HA A 58 TYR H 1.0 . 5.15 1056 959 A 59 TYR HBy A 58 TYR H 1.0 . 4.92 1057 960 A 58 TYR H A 60 ASP H 1.0 . 5.39 1058 961 A 58 TYR HD% A 58 TYR HA 1.0 . 3.62 1059 962 A 58 TYR HE% A 58 TYR HA 1.0 . 4.83 1060 963 A 58 TYR HA A 61 ALA HB1 1.0 . 3.92 1061 964 A 59 TYR H A 58 TYR HBy 1.0 . 5.05 1062 965 A 58 TYR HBy A 98 ILE HG1y 1.0 . 4.54 1063 966 A 58 TYR HBy A 98 ILE HG1x 1.0 . 5.50 1064 967 A 59 TYR H A 58 TYR HBx 1.0 . 4.48 1065 968 A 58 TYR HBx A 98 ILE H 1.0 . 5.50 1066 969 A 59 TYR H A 58 TYR HD% 1.0 . 4.37 1067 970 A 95 ILE H A 58 TYR HD% 1.0 . 4.92 1068 971 A 58 TYR HD% A 95 ILE HA 1.0 . 3.72 1069 972 A 58 TYR HD% A 95 ILE HB 1.0 . 4.65 1070 973 A 58 TYR HD% A 98 ILE H 1.0 . 4.95 1071 974 A 58 TYR HD% A 98 ILE HA 1.0 . 5.46 1072 975 A 58 TYR HE% A 95 ILE HA 1.0 . 3.63 1073 976 A 58 TYR HE% A 95 ILE HB 1.0 . 5.50 1074 977 A 58 TYR HE% A 95 ILE HG21 1.0 . 5.27 1075 978 A 97 GLY HAx A 58 TYR HE% 1.0 . 5.39 1076 979 A 58 TYR HE% A 98 ILE H 1.0 . 4.55 1077 980 A 58 TYR HE% A 98 ILE HA 1.0 . 5.50 1078 981 A 99 ARG HBx A 58 TYR HE% 1.0 . 5.08 1079 982 A 99 ARG HBy A 58 TYR HE% 1.0 . 5.42 1080 983 A 59 TYR H A 59 TYR HBy 1.0 . 3.32 1081 984 A 59 TYR H A 59 TYR HBx 1.0 . 3.25 1082 985 A 59 TYR H A 59 TYR HD% 1.0 . 4.13 1083 986 A 59 TYR H A 60 ASP H 1.0 . 3.79 1084 987 A 59 TYR H A 60 ASP HBy 1.0 . 4.85 1085 988 A 59 TYR H A 62 LEU HD11 1.0 . 5.50 1086 989 A 82 THR HG21 A 59 TYR H 1.0 . 4.93 1087 990 A 59 TYR HA A 59 TYR HD% 1.0 . 3.31 1088 991 A 59 TYR HE% A 59 TYR HA 1.0 . 4.62 1089 992 A 59 TYR HA A 61 ALA H 1.0 . 4.53 1090 993 A 59 TYR HA A 62 LEU H 1.0 . 4.25 1091 994 A 59 TYR HA A 62 LEU HBy 1.0 . 3.60 1092 995 A 59 TYR HA A 62 LEU HBx 1.0 . 3.86 1093 996 A 59 TYR HA A 62 LEU HD11 1.0 . 3.57 1094 997 A 59 TYR HBy A 60 ASP H 1.0 . 3.61 1095 998 A 59 TYR HBy A 60 ASP HA 1.0 . 4.14 1096 999 A 59 TYR HBy A 61 ALA H 1.0 . 5.06 1097 1000 A 59 TYR HBy A 62 LEU HD11 1.0 . 5.50 1098 1001 A 82 THR HA A 59 TYR HBy 1.0 . 5.38 1099 1002 A 82 THR HB A 59 TYR HBy 1.0 . 4.55 1100 1003 A 82 THR HG21 A 59 TYR HBy 1.0 . 4.21 1101 1004 A 59 TYR HBx A 60 ASP H 1.0 . 3.97 1102 1005 A 59 TYR HBx A 62 LEU H 1.0 . 5.50 1103 1006 A 82 THR HA A 59 TYR HBx 1.0 . 4.75 1104 1007 A 82 THR HB A 59 TYR HBx 1.0 . 4.05 1105 1008 A 82 THR HG21 A 59 TYR HBx 1.0 . 4.21 1106 1009 A 59 TYR HD% A 62 LEU HD11 1.0 . 4.13 1107 1010 A 82 THR HA A 59 TYR HD% 1.0 . 3.24 1108 1011 A 82 THR HB A 59 TYR HD% 1.0 . 3.15 1109 1012 A 82 THR HG21 A 59 TYR HD% 1.0 . 3.87 1110 1013 A 59 TYR HD% A 84 ARG HGx 1.0 . 4.91 1111 1014 A 59 TYR HE% A 62 LEU HBy 1.0 . 5.50 1112 1015 A 59 TYR HE% A 62 LEU HBx 1.0 . 5.50 1113 1016 A 59 TYR HE% A 62 LEU HD11 1.0 . 4.15 1114 1017 A 82 THR H A 59 TYR HE% 1.0 . 5.50 1115 1018 A 59 TYR HE% A 82 THR HA 1.0 . 3.34 1116 1019 A 59 TYR HE% A 82 THR HB 1.0 . 4.38 1117 1020 A 59 TYR HE% A 82 THR HG21 1.0 . 4.62 1118 1021 A 83 SER HA A 59 TYR HE% 1.0 . 5.50 1119 1022 A 84 ARG H A 59 TYR HE% 1.0 . 5.50 1120 1023 A 59 TYR HE% A 84 ARG HA 1.0 . 4.57 1121 1024 A 84 ARG HBy A 59 TYR HE% 1.0 . 5.15 1122 1025 A 59 TYR HE% A 84 ARG HDy 1.0 . 4.60 1123 1026 A 59 TYR HE% A 84 ARG HDx 1.0 . 3.71 1124 1027 A 59 TYR HE% A 84 ARG HGy 1.0 . 3.54 1125 1028 A 59 TYR HE% A 84 ARG HGx 1.0 . 3.97 1126 1029 A 60 ASP H A 60 ASP HBy 1.0 . 3.47 1127 1030 A 60 ASP H A 60 ASP HBx 1.0 . 3.90 1128 1031 A 60 ASP H A 61 ALA H 1.0 . 3.37 1129 1032 A 60 ASP H A 61 ALA HB1 1.0 . 4.33 1130 1033 A 60 ASP H A 62 LEU H 1.0 . 4.74 1131 1034 A 62 LEU H A 60 ASP HA 1.0 . 4.24 1132 1035 A 60 ASP HBy A 61 ALA H 1.0 . 4.49 1133 1036 A 61 ALA HB1 A 60 ASP HBy 1.0 . 5.03 1134 1037 A 60 ASP HBy A 62 LEU H 1.0 . 5.37 1135 1038 A 61 ALA H A 60 ASP HBx 1.0 . 4.33 1136 1039 A 62 LEU H A 60 ASP HBx 1.0 . 5.50 1137 1040 A 61 ALA HB1 A 61 ALA H 1.0 . 3.22 1138 1041 A 61 ALA H A 62 LEU H 1.0 . 3.29 1139 1042 A 61 ALA H A 62 LEU HA 1.0 . 5.17 1140 1043 A 61 ALA H A 62 LEU HBy 1.0 . 4.86 1141 1044 A 61 ALA H A 62 LEU HBx 1.0 . 5.38 1142 1045 A 62 LEU HD11 A 61 ALA H 1.0 . 4.70 1143 1046 A 61 ALA H A 62 LEU HD21 1.0 . 5.45 1144 1047 A 61 ALA HB1 A 62 LEU H 1.0 . 4.06 1145 1048 A 61 ALA HB1 A 62 LEU HA 1.0 . 4.96 1146 1049 A 62 LEU H A 62 LEU HBy 1.0 . 3.11 1147 1050 A 62 LEU H A 62 LEU HBx 1.0 . 3.68 1148 1051 A 62 LEU H A 62 LEU HG 1.0 . 3.91 1149 1052 A 62 LEU HD11 A 62 LEU H 1.0 . 4.84 1150 1053 A 62 LEU H A 62 LEU HD21 1.0 . 4.19 1151 1054 A 62 LEU H A 63 PRO HDx 1.0 . 5.29 1152 1055 A 62 LEU HA A 62 LEU HG 1.0 . 3.37 1153 1056 A 62 LEU HA A 62 LEU HD21 1.0 . 3.35 1154 1057 A 62 LEU HA A 63 PRO HDx 1.0 . 3.47 1155 1058 A 62 LEU HA A 63 PRO HDy 1.0 . 3.01 1156 1059 A 62 LEU HA A 63 PRO HGx 1.0 . 4.46 1157 1060 A 62 LEU HA A 89 ILE HD11 1.0 . 4.01 1158 1061 A 62 LEU HD11 A 62 LEU HBy 1.0 . 3.27 1159 1062 A 62 LEU HBy A 63 PRO HDx 1.0 . 4.50 1160 1063 A 62 LEU HD11 A 62 LEU HBx 1.0 . 3.94 1161 1064 A 62 LEU HBx A 63 PRO HDx 1.0 . 3.77 1162 1065 A 62 LEU HBx A 63 PRO HDy 1.0 . 4.09 1163 1066 A 62 LEU HBx A 63 PRO HGy 1.0 . 4.22 1164 1067 A 62 LEU HBx A 64 GLU HGx 1.0 . 5.80 1165 1067 A 62 LEU HBx A 64 GLU HGy 1.0 . 5.80 1166 1068 A 84 ARG HDx A 62 LEU HBx 1.0 . 5.50 1167 1069 A 62 LEU HG A 63 PRO HDx 1.0 . 4.95 1168 1070 A 62 LEU HD11 A 84 ARG HDy 1.0 . 5.07 1169 1071 A 84 ARG HDx A 62 LEU HD11 1.0 . 3.91 1170 1072 A 62 LEU HD21 A 63 PRO HDx 1.0 . 4.17 1171 1073 A 62 LEU HD21 A 89 ILE HA 1.0 . 5.15 1172 1074 A 62 LEU HD21 A 89 ILE HD11 1.0 . 3.55 1173 1075 A 62 LEU HD21 A 89 ILE HG21 1.0 . 4.52 1174 1076 A 90 LYS H A 62 LEU HD21 1.0 . 4.98 1175 1077 A 63 PRO HA A 64 GLU H 1.0 . 2.73 1176 1078 A 63 PRO HA A 64 GLU HBx 1.0 . 4.42 1177 1078 A 63 PRO HA A 64 GLU HBy 1.0 . 4.42 1178 1079 A 64 GLU H A 63 PRO HBy 1.0 . 3.46 1179 1080 A 64 GLU H A 63 PRO HBx 1.0 . 4.17 1180 1081 A 63 PRO HDx A 89 ILE HD11 1.0 . 5.50 1181 1082 A 63 PRO HGx A 64 GLU H 1.0 . 5.50 1182 1083 A 63 PRO HGx A 89 ILE HD11 1.0 . 5.50 1183 1084 A 64 GLU H A 64 GLU HBx 1.0 . 3.13 1184 1084 A 64 GLU H A 64 GLU HBy 1.0 . 3.13 1185 1085 A 64 GLU H A 64 GLU HGx 1.0 . 3.85 1186 1085 A 64 GLU HGy A 64 GLU H 1.0 . 3.85 1187 1086 A 64 GLU HA A 64 GLU HBx 1.0 . 2.99 1188 1086 A 64 GLU HBy A 64 GLU HA 1.0 . 2.99 1189 1087 A 64 GLU HA A 64 GLU HGx 1.0 . 3.24 1190 1087 A 64 GLU HGy A 64 GLU HA 1.0 . 3.24 1191 1088 A 64 GLU HA A 65 PRO HDy 1.0 . 3.93 1192 1089 A 70 ASN HD21 A 64 GLU HBx 1.0 . 4.30 1193 1089 A 64 GLU HBy A 70 ASN HD21 1.0 . 4.30 1194 1090 A 64 GLU HBx A 70 ASN HBx 1.0 . 5.50 1195 1090 A 64 GLU HBy A 70 ASN HBx 1.0 . 5.50 1196 1090 A 70 ASN HBy A 64 GLU HBx 1.0 . 5.50 1197 1090 A 64 GLU HBy A 70 ASN HBy 1.0 . 5.50 1198 1091 A 65 PRO HDy A 64 GLU HGx 1.0 . 5.50 1199 1091 A 64 GLU HGy A 65 PRO HDy 1.0 . 5.50 1200 1092 A 65 PRO HDx A 64 GLU HGx 1.0 . 5.00 1201 1092 A 64 GLU HGy A 65 PRO HDx 1.0 . 5.00 1202 1093 A 65 PRO HA A 66 GLU H 1.0 . 2.99 1203 1094 A 65 PRO HA A 85 LEU HD21 1.0 . 5.07 1204 1095 A 66 GLU H A 65 PRO HBy 1.0 . 4.06 1205 1096 A 65 PRO HBy A 69 GLU H 1.0 . 5.17 1206 1097 A 65 PRO HBy A 69 GLU HBx 1.0 . 2.79 1207 1098 A 65 PRO HBy A 73 LEU HD11 1.0 . 4.13 1208 1098 A 65 PRO HBy A 73 LEU HD21 1.0 . 4.13 1209 1099 A 85 LEU HD21 A 65 PRO HBx 1.0 . 3.81 1210 1100 A 65 PRO HDy A 70 ASN HBx 1.0 . 4.51 1211 1100 A 65 PRO HDy A 70 ASN HBy 1.0 . 4.51 1212 1101 A 65 PRO HDy A 73 LEU HD11 1.0 . 4.94 1213 1102 A 65 PRO HDy A 85 LEU HD21 1.0 . 4.00 1214 1103 A 65 PRO HDx A 70 ASN H 1.0 . 5.70 1215 1104 A 65 PRO HDx A 73 LEU HD11 1.0 . 5.50 1216 1104 A 65 PRO HDx A 73 LEU HD21 1.0 . 5.50 1217 1105 A 65 PRO HGy A 70 ASN HA 1.0 . 3.59 1218 1106 A 65 PRO HGy A 85 LEU HBy 1.0 . 5.50 1219 1107 A 66 GLU H A 66 GLU HGy 1.0 . 4.13 1220 1108 A 66 GLU H A 66 GLU HGx 1.0 . 3.56 1221 1109 A 66 GLU H A 66 GLU HBx 1.0 . 3.36 1222 1109 A 66 GLU H A 66 GLU HBy 1.0 . 3.36 1223 1110 A 66 GLU H A 68 ASP H 1.0 . 5.50 1224 1111 A 66 GLU H A 69 GLU H 1.0 . 4.78 1225 1112 A 66 GLU H A 69 GLU HBy 1.0 . 4.43 1226 1113 A 66 GLU H A 70 ASN H 1.0 . 5.23 1227 1114 A 66 GLU HGy A 66 GLU HA 1.0 . 4.00 1228 1115 A 66 GLU HGx A 66 GLU HA 1.0 . 3.35 1229 1116 A 66 GLU HA A 67 ASP H 1.0 . 2.89 1230 1117 A 70 ASN HD21 A 66 GLU HA 1.0 . 5.50 1231 1118 A 66 GLU HGy A 67 ASP H 1.0 . 4.47 1232 1119 A 66 GLU HGy A 68 ASP H 1.0 . 4.99 1233 1120 A 69 GLU H A 66 GLU HGy 1.0 . 5.50 1234 1121 A 66 GLU HGx A 67 ASP H 1.0 . 5.03 1235 1122 A 69 GLU H A 66 GLU HGx 1.0 . 5.50 1236 1123 A 67 ASP H A 66 GLU HBx 1.0 . 3.61 1237 1123 A 66 GLU HBy A 67 ASP H 1.0 . 3.61 1238 1124 A 67 ASP HA A 66 GLU HBx 1.0 . 4.76 1239 1124 A 66 GLU HBy A 67 ASP HA 1.0 . 4.76 1240 1125 A 68 ASP H A 66 GLU HBx 1.0 . 4.12 1241 1125 A 66 GLU HBy A 68 ASP H 1.0 . 4.12 1242 1126 A 69 GLU H A 66 GLU HBx 1.0 . 4.83 1243 1126 A 69 GLU H A 66 GLU HBy 1.0 . 4.83 1244 1127 A 67 ASP H A 67 ASP HBy 1.0 . 3.47 1245 1128 A 67 ASP H A 67 ASP HBx 1.0 . 3.23 1246 1129 A 68 ASP H A 67 ASP H 1.0 . 3.52 1247 1130 A 69 GLU H A 67 ASP H 1.0 . 4.89 1248 1131 A 70 ASN H A 67 ASP H 1.0 . 5.34 1249 1132 A 70 ASN HD21 A 67 ASP H 1.0 . 5.50 1250 1133 A 67 ASP H A 70 ASN HD22 1.0 . 5.50 1251 1134 A 69 GLU H A 67 ASP HA 1.0 . 4.10 1252 1135 A 70 ASN H A 67 ASP HA 1.0 . 4.14 1253 1136 A 70 ASN HD21 A 67 ASP HA 1.0 . 4.22 1254 1137 A 67 ASP HA A 70 ASN HD22 1.0 . 3.70 1255 1138 A 67 ASP HBy A 70 ASN HD22 1.0 . 4.65 1256 1139 A 68 ASP H A 67 ASP HBx 1.0 . 3.51 1257 1140 A 68 ASP H A 68 ASP HBy 1.0 . 3.44 1258 1141 A 68 ASP H A 68 ASP HBx 1.0 . 3.20 1259 1142 A 69 GLU H A 68 ASP H 1.0 . 3.38 1260 1143 A 68 ASP H A 69 GLU HA 1.0 . 4.94 1261 1144 A 70 ASN H A 68 ASP H 1.0 . 4.68 1262 1145 A 68 ASP H A 71 ASP H 1.0 . 4.91 1263 1146 A 68 ASP HBy A 68 ASP HA 1.0 . 2.82 1264 1147 A 68 ASP HA A 72 MET HGx 1.0 . 4.48 1265 1147 A 68 ASP HA A 72 MET HGy 1.0 . 4.48 1266 1148 A 69 GLU H A 68 ASP HBy 1.0 . 4.14 1267 1149 A 69 GLU H A 68 ASP HBx 1.0 . 4.02 1268 1150 A 69 GLU H A 69 GLU HBy 1.0 . 3.43 1269 1151 A 69 GLU H A 70 ASN H 1.0 . 3.44 1270 1152 A 69 GLU HA A 69 GLU HGx 1.0 . 4.07 1271 1152 A 69 GLU HA A 69 GLU HGy 1.0 . 4.07 1272 1153 A 69 GLU HA A 72 MET HGx 1.0 . 3.65 1273 1153 A 69 GLU HA A 72 MET HGy 1.0 . 3.65 1274 1154 A 70 ASN H A 69 GLU HBy 1.0 . 3.62 1275 1155 A 70 ASN HD21 A 70 ASN H 1.0 . 4.96 1276 1156 A 70 ASN H A 70 ASN HBx 1.0 . 2.93 1277 1156 A 70 ASN HBy A 70 ASN H 1.0 . 2.93 1278 1157 A 70 ASN H A 71 ASP H 1.0 . 3.43 1279 1158 A 70 ASN H A 71 ASP HBx 1.0 . 5.12 1280 1159 A 70 ASN H A 73 LEU HG 1.0 . 5.50 1281 1160 A 70 ASN HD21 A 70 ASN HA 1.0 . 5.22 1282 1161 A 70 ASN HA A 73 LEU HBy 1.0 . 4.28 1283 1162 A 70 ASN HA A 73 LEU HG 1.0 . 3.75 1284 1163 A 70 ASN HA A 74 ASP H 1.0 . 4.48 1285 1164 A 70 ASN HD21 A 70 ASN HBx 1.0 . 3.71 1286 1164 A 70 ASN HD21 A 70 ASN HBy 1.0 . 3.71 1287 1165 A 70 ASN HD22 A 70 ASN HBx 1.0 . 3.36 1288 1165 A 70 ASN HBy A 70 ASN HD22 1.0 . 3.36 1289 1166 A 71 ASP H A 70 ASN HBx 1.0 . 3.74 1290 1166 A 70 ASN HBy A 71 ASP H 1.0 . 3.74 1291 1167 A 73 LEU HG A 70 ASN HBx 1.0 . 5.50 1292 1167 A 70 ASN HBy A 73 LEU HG 1.0 . 5.50 1293 1168 A 71 ASP H A 71 ASP HBx 1.0 . 3.56 1294 1169 A 71 ASP H A 71 ASP HBy 1.0 . 2.96 1295 1170 A 71 ASP H A 72 MET H 1.0 . 3.78 1296 1171 A 71 ASP H A 72 MET HBx 1.0 . 5.12 1297 1171 A 71 ASP H A 72 MET HBy 1.0 . 5.12 1298 1172 A 71 ASP H A 72 MET HGx 1.0 . 4.51 1299 1172 A 71 ASP H A 72 MET HGy 1.0 . 4.51 1300 1173 A 71 ASP H A 73 LEU HG 1.0 . 4.37 1301 1174 A 71 ASP H A 74 ASP H 1.0 . 5.50 1302 1175 A 71 ASP HBx A 71 ASP HA 1.0 . 3.00 1303 1176 A 74 ASP H A 71 ASP HA 1.0 . 3.69 1304 1177 A 71 ASP HA A 75 LEU HD21 1.0 . 4.30 1305 1178 A 71 ASP HBx A 72 MET H 1.0 . 4.29 1306 1179 A 71 ASP HBy A 72 MET H 1.0 . 4.18 1307 1180 A 71 ASP HBy A 73 LEU H 1.0 . 5.25 1308 1181 A 71 ASP HBy A 75 LEU HG 1.0 . 5.12 1309 1182 A 72 MET H A 73 LEU H 1.0 . 4.08 1310 1183 A 73 LEU HBy A 72 MET H 1.0 . 5.01 1311 1184 A 74 ASP H A 72 MET H 1.0 . 4.83 1312 1185 A 72 MET H A 75 LEU HG 1.0 . 5.50 1313 1186 A 75 LEU HG A 72 MET HA 1.0 . 3.96 1314 1187 A 72 MET HA A 75 LEU HD11 1.0 . 3.53 1315 1188 A 73 LEU HA A 72 MET HBx 1.0 . 4.21 1316 1188 A 72 MET HBy A 73 LEU HA 1.0 . 4.21 1317 1189 A 73 LEU HG A 72 MET HGx 1.0 . 5.50 1318 1189 A 72 MET HGy A 73 LEU HG 1.0 . 5.50 1319 1190 A 73 LEU HBy A 73 LEU H 1.0 . 3.62 1320 1191 A 73 LEU H A 73 LEU HBx 1.0 . 4.10 1321 1192 A 73 LEU HG A 73 LEU H 1.0 . 4.13 1322 1193 A 73 LEU H A 73 LEU HD11 1.0 . 5.20 1323 1193 A 73 LEU HD21 A 73 LEU H 1.0 . 5.20 1324 1194 A 74 ASP H A 73 LEU H 1.0 . 3.64 1325 1195 A 73 LEU H A 75 LEU H 1.0 . 5.45 1326 1196 A 73 LEU H A 76 ALA H 1.0 . 5.50 1327 1197 A 73 LEU H A 79 LEU HD11 1.0 . 4.30 1328 1198 A 73 LEU HD21 A 73 LEU HA 1.0 . 4.01 1329 1199 A 73 LEU HA A 73 LEU HD11 1.0 . 3.92 1330 1199 A 73 LEU HD21 A 73 LEU HA 1.0 . 3.92 1331 1200 A 73 LEU HA A 75 LEU HBy 1.0 . 5.41 1332 1201 A 73 LEU HA A 76 ALA H 1.0 . 4.06 1333 1202 A 73 LEU HA A 76 ALA HB1 1.0 . 4.05 1334 1203 A 73 LEU HBy A 74 ASP H 1.0 . 3.82 1335 1204 A 73 LEU HBx A 73 LEU HD11 1.0 . 3.53 1336 1204 A 73 LEU HD21 A 73 LEU HBx 1.0 . 3.53 1337 1205 A 74 ASP H A 73 LEU HBx 1.0 . 4.29 1338 1206 A 73 LEU HBx A 74 ASP HA 1.0 . 4.91 1339 1207 A 73 LEU HBx A 75 LEU H 1.0 . 5.50 1340 1208 A 73 LEU HBx A 79 LEU HD11 1.0 . 3.63 1341 1209 A 73 LEU HBx A 79 LEU HD21 1.0 . 3.86 1342 1210 A 73 LEU HG A 74 ASP H 1.0 . 4.29 1343 1211 A 74 ASP H A 73 LEU HD11 1.0 . 5.50 1344 1211 A 73 LEU HD21 A 74 ASP H 1.0 . 5.50 1345 1212 A 83 SER HBy A 73 LEU HD11 1.0 . 4.47 1346 1212 A 73 LEU HD21 A 83 SER HBy 1.0 . 4.47 1347 1213 A 84 ARG H A 73 LEU HD11 1.0 . 5.50 1348 1213 A 84 ARG H A 73 LEU HD21 1.0 . 5.50 1349 1214 A 84 ARG HA A 73 LEU HD11 1.0 . 4.80 1350 1214 A 84 ARG HA A 73 LEU HD21 1.0 . 4.80 1351 1215 A 74 ASP H A 74 ASP HBy 1.0 . 3.04 1352 1216 A 74 ASP H A 74 ASP HBx 1.0 . 3.44 1353 1217 A 74 ASP H A 75 LEU H 1.0 . 3.57 1354 1218 A 74 ASP H A 75 LEU HBy 1.0 . 5.50 1355 1219 A 74 ASP H A 75 LEU HG 1.0 . 4.75 1356 1220 A 74 ASP H A 75 LEU HD21 1.0 . 5.50 1357 1221 A 74 ASP H A 76 ALA H 1.0 . 4.72 1358 1222 A 74 ASP H A 76 ALA HB1 1.0 . 5.26 1359 1223 A 74 ASP H A 79 LEU HBy 1.0 . 5.69 1360 1224 A 74 ASP H A 79 LEU HBx 1.0 . 5.27 1361 1225 A 74 ASP H A 79 LEU HG 1.0 . 5.90 1362 1226 A 74 ASP H A 79 LEU HD11 1.0 . 3.70 1363 1227 A 74 ASP H A 79 LEU HD21 1.0 . 4.49 1364 1228 A 79 LEU HD11 A 74 ASP HA 1.0 . 3.50 1365 1229 A 75 LEU H A 74 ASP HBy 1.0 . 4.01 1366 1230 A 75 LEU HG A 74 ASP HBy 1.0 . 5.17 1367 1231 A 75 LEU HD21 A 74 ASP HBy 1.0 . 4.17 1368 1232 A 75 LEU H A 74 ASP HBx 1.0 . 4.26 1369 1233 A 75 LEU HG A 74 ASP HBx 1.0 . 5.10 1370 1234 A 75 LEU HD21 A 74 ASP HBx 1.0 . 3.89 1371 1235 A 76 ALA H A 74 ASP HBx 1.0 . 5.50 1372 1236 A 75 LEU H A 75 LEU HBy 1.0 . 3.63 1373 1237 A 75 LEU H A 75 LEU HBx 1.0 . 3.64 1374 1238 A 75 LEU HG A 75 LEU H 1.0 . 3.18 1375 1239 A 75 LEU HD11 A 75 LEU H 1.0 . 3.73 1376 1240 A 75 LEU HD21 A 75 LEU H 1.0 . 4.31 1377 1241 A 75 LEU H A 76 ALA H 1.0 . 3.25 1378 1242 A 75 LEU H A 76 ALA HB1 1.0 . 5.04 1379 1243 A 75 LEU HD21 A 75 LEU HA 1.0 . 3.02 1380 1244 A 75 LEU HD11 A 75 LEU HBy 1.0 . 4.00 1381 1245 A 75 LEU HD21 A 75 LEU HBy 1.0 . 3.87 1382 1246 A 75 LEU HD11 A 75 LEU HBx 1.0 . 2.62 1383 1247 A 75 LEU HD21 A 75 LEU HBx 1.0 . 3.14 1384 1248 A 76 ALA H A 75 LEU HBx 1.0 . 5.42 1385 1249 A 76 ALA H A 76 ALA HB1 1.0 . 3.42 1386 1250 A 76 ALA H A 77 TYR H 1.0 . 4.96 1387 1251 A 76 ALA H A 79 LEU HD11 1.0 . 5.40 1388 1252 A 77 TYR H A 76 ALA HA 1.0 . 3.03 1389 1253 A 76 ALA HA A 77 TYR HBx 1.0 . 4.78 1390 1254 A 76 ALA HB1 A 77 TYR H 1.0 . 3.97 1391 1255 A 76 ALA HB1 A 77 TYR HA 1.0 . 5.50 1392 1256 A 76 ALA HB1 A 77 TYR HBx 1.0 . 5.50 1393 1257 A 76 ALA HB1 A 79 LEU H 1.0 . 5.16 1394 1258 A 77 TYR H A 77 TYR HBy 1.0 . 3.53 1395 1259 A 77 TYR H A 77 TYR HBx 1.0 . 3.57 1396 1260 A 77 TYR H A 77 TYR HBx 1.0 . 3.41 1397 1260 A 77 TYR H A 77 TYR HBy 1.0 . 3.41 1398 1261 A 77 TYR H A 77 TYR HD% 1.0 . 4.22 1399 1262 A 77 TYR H A 78 GLY H 1.0 . 5.49 1400 1263 A 77 TYR HA A 77 TYR HD% 1.0 . 3.51 1401 1264 A 77 TYR HA A 77 TYR HE% 1.0 . 5.17 1402 1265 A 77 TYR HA A 78 GLY H 1.0 . 3.57 1403 1266 A 77 TYR HA A 78 GLY HAx 1.0 . 4.86 1404 1267 A 77 TYR HA A 79 LEU H 1.0 . 4.22 1405 1268 A 77 TYR HBy A 78 GLY H 1.0 . 5.03 1406 1269 A 77 TYR HBy A 78 GLY HAx 1.0 . 5.10 1407 1270 A 78 GLY H A 77 TYR HBx 1.0 . 5.06 1408 1271 A 78 GLY HAx A 77 TYR HBx 1.0 . 4.26 1409 1271 A 77 TYR HBy A 78 GLY HAx 1.0 . 4.26 1410 1272 A 77 TYR HD% A 78 GLY H 1.0 . 3.92 1411 1273 A 77 TYR HD% A 78 GLY HAy 1.0 . 5.49 1412 1274 A 77 TYR HD% A 78 GLY HAx 1.0 . 4.64 1413 1275 A 79 LEU H A 78 GLY H 1.0 . 4.19 1414 1276 A 79 LEU H A 78 GLY HAy 1.0 . 3.54 1415 1277 A 79 LEU HBy A 78 GLY HAy 1.0 . 5.10 1416 1278 A 79 LEU HBy A 79 LEU H 1.0 . 3.14 1417 1279 A 79 LEU HBx A 79 LEU H 1.0 . 2.78 1418 1280 A 79 LEU HD11 A 79 LEU H 1.0 . 4.17 1419 1281 A 79 LEU H A 80 THR H 1.0 . 4.84 1420 1282 A 79 LEU HG A 79 LEU HA 1.0 . 3.93 1421 1283 A 79 LEU HD21 A 79 LEU HA 1.0 . 3.28 1422 1284 A 80 THR H A 79 LEU HA 1.0 . 3.06 1423 1285 A 79 LEU HD11 A 79 LEU HBy 1.0 . 2.83 1424 1286 A 79 LEU HBy A 80 THR H 1.0 . 4.81 1425 1287 A 79 LEU HD21 A 79 LEU HBx 1.0 . 3.57 1426 1288 A 79 LEU HG A 80 THR H 1.0 . 4.12 1427 1289 A 83 SER H A 79 LEU HG 1.0 . 4.51 1428 1290 A 83 SER HA A 79 LEU HG 1.0 . 5.30 1429 1291 A 79 LEU HD11 A 80 THR H 1.0 . 5.09 1430 1292 A 79 LEU HD21 A 80 THR H 1.0 . 3.90 1431 1293 A 83 SER H A 79 LEU HD21 1.0 . 4.07 1432 1294 A 83 SER HA A 79 LEU HD21 1.0 . 4.34 1433 1295 A 79 LEU HD21 A 83 SER HBy 1.0 . 3.80 1434 1296 A 79 LEU HD21 A 83 SER HBx 1.0 . 3.73 1435 1297 A 80 THR HG21 A 80 THR H 1.0 . 3.88 1436 1298 A 80 THR H A 81 GLU H 1.0 . 5.10 1437 1299 A 82 THR H A 80 THR H 1.0 . 4.79 1438 1300 A 83 SER H A 80 THR H 1.0 . 4.12 1439 1301 A 83 SER HA A 80 THR H 1.0 . 4.75 1440 1302 A 83 SER HBy A 80 THR H 1.0 . 4.16 1441 1303 A 80 THR H A 83 SER HBx 1.0 . 4.13 1442 1304 A 80 THR HG21 A 80 THR HA 1.0 . 3.22 1443 1305 A 81 GLU H A 80 THR HA 1.0 . 3.10 1444 1306 A 80 THR HA A 81 GLU HGy 1.0 . 5.50 1445 1307 A 82 THR H A 80 THR HA 1.0 . 4.54 1446 1308 A 80 THR HB A 81 GLU H 1.0 . 3.12 1447 1309 A 80 THR HB A 81 GLU HA 1.0 . 4.85 1448 1310 A 80 THR HB A 82 THR H 1.0 . 4.08 1449 1311 A 83 SER HA A 80 THR HB 1.0 . 5.50 1450 1312 A 80 THR HG21 A 81 GLU H 1.0 . 4.11 1451 1313 A 80 THR HG21 A 81 GLU HBx 1.0 . 3.81 1452 1314 A 80 THR HG21 A 82 THR H 1.0 . 4.51 1453 1315 A 83 SER HA A 80 THR HG21 1.0 . 5.46 1454 1316 A 81 GLU H A 81 GLU HBx 1.0 . 3.35 1455 1317 A 81 GLU H A 81 GLU HBy 1.0 . 3.85 1456 1318 A 81 GLU H A 81 GLU HGy 1.0 . 3.95 1457 1319 A 82 THR H A 81 GLU H 1.0 . 3.72 1458 1320 A 82 THR HA A 81 GLU H 1.0 . 5.50 1459 1321 A 82 THR HG21 A 81 GLU H 1.0 . 5.50 1460 1322 A 83 SER H A 81 GLU H 1.0 . 5.11 1461 1323 A 81 GLU HA A 81 GLU HGy 1.0 . 3.73 1462 1324 A 81 GLU HA A 81 GLU HGy 1.0 . 3.56 1463 1324 A 81 GLU HA A 81 GLU HGx 1.0 . 3.56 1464 1325 A 82 THR HA A 81 GLU HA 1.0 . 4.73 1465 1326 A 82 THR HG21 A 81 GLU HA 1.0 . 4.91 1466 1327 A 83 SER H A 81 GLU HA 1.0 . 4.24 1467 1328 A 82 THR HG21 A 81 GLU HBx 1.0 . 4.04 1468 1329 A 82 THR H A 81 GLU HBy 1.0 . 4.99 1469 1330 A 82 THR HG21 A 81 GLU HBy 1.0 . 4.26 1470 1331 A 82 THR H A 82 THR HG21 1.0 . 4.10 1471 1332 A 82 THR H A 83 SER H 1.0 . 3.17 1472 1333 A 83 SER HA A 82 THR H 1.0 . 4.41 1473 1334 A 82 THR H A 83 SER HBx 1.0 . 5.08 1474 1335 A 82 THR HA A 82 THR HG21 1.0 . 3.35 1475 1336 A 83 SER H A 82 THR HA 1.0 . 3.05 1476 1337 A 83 SER H A 82 THR HB 1.0 . 4.40 1477 1338 A 83 SER H A 82 THR HG21 1.0 . 5.07 1478 1339 A 83 SER H A 83 SER HBy 1.0 . 3.38 1479 1340 A 83 SER H A 83 SER HBx 1.0 . 2.99 1480 1341 A 83 SER HA A 84 ARG H 1.0 . 3.03 1481 1342 A 84 ARG H A 83 SER HBy 1.0 . 3.88 1482 1343 A 84 ARG H A 83 SER HBx 1.0 . 4.67 1483 1344 A 84 ARG H A 84 ARG HGy 1.0 . 5.25 1484 1345 A 84 ARG HA A 84 ARG HDy 1.0 . 3.81 1485 1346 A 84 ARG HDx A 84 ARG HA 1.0 . 4.65 1486 1347 A 84 ARG HGx A 84 ARG HA 1.0 . 4.11 1487 1348 A 84 ARG HA A 85 LEU H 1.0 . 3.54 1488 1349 A 84 ARG HA A 85 LEU HBy 1.0 . 4.58 1489 1350 A 89 ILE HG21 A 84 ARG HBx 1.0 . 3.86 1490 1351 A 84 ARG HBy A 85 LEU H 1.0 . 5.48 1491 1352 A 84 ARG HDy A 89 ILE HG21 1.0 . 5.50 1492 1353 A 84 ARG HDx A 89 ILE HG21 1.0 . 5.50 1493 1354 A 85 LEU HD21 A 85 LEU HA 1.0 . 5.50 1494 1355 A 85 LEU HD21 A 85 LEU HBy 1.0 . 2.48 1495 1356 A 89 ILE H A 89 ILE HB 1.0 . 3.81 1496 1357 A 89 ILE H A 89 ILE HD11 1.0 . 4.83 1497 1358 A 89 ILE H A 89 ILE HG21 1.0 . 5.50 1498 1359 A 90 LYS H A 89 ILE H 1.0 . 4.87 1499 1360 A 89 ILE HA A 89 ILE HG1y 1.0 . 4.21 1500 1361 A 89 ILE HD11 A 89 ILE HA 1.0 . 3.57 1501 1362 A 90 LYS H A 89 ILE HA 1.0 . 2.80 1502 1363 A 89 ILE HD11 A 89 ILE HB 1.0 . 3.54 1503 1364 A 90 LYS H A 89 ILE HB 1.0 . 4.57 1504 1365 A 90 LYS H A 89 ILE HG1y 1.0 . 3.54 1505 1366 A 90 LYS H A 89 ILE HD11 1.0 . 3.93 1506 1367 A 90 LYS HA A 89 ILE HD11 1.0 . 4.49 1507 1368 A 89 ILE HD11 A 90 LYS HGx 1.0 . 4.55 1508 1369 A 89 ILE HD11 A 90 LYS HEx 1.0 . 5.50 1509 1369 A 90 LYS HEy A 89 ILE HD11 1.0 . 5.50 1510 1370 A 89 ILE HG21 A 89 ILE HG1x 1.0 . 4.04 1511 1371 A 89 ILE HG21 A 89 ILE HG1y 1.0 . 3.85 1512 1372 A 90 LYS H A 89 ILE HG21 1.0 . 5.18 1513 1373 A 89 ILE HG21 A 90 LYS HGx 1.0 . 5.17 1514 1374 A 90 LYS H A 90 LYS HBy 1.0 . 3.56 1515 1375 A 90 LYS HBx A 90 LYS H 1.0 . 3.97 1516 1376 A 90 LYS HGy A 90 LYS H 1.0 . 3.83 1517 1377 A 90 LYS H A 90 LYS HGx 1.0 . 4.66 1518 1378 A 90 LYS H A 90 LYS HDx 1.0 . 3.88 1519 1378 A 90 LYS HDy A 90 LYS H 1.0 . 3.88 1520 1379 A 90 LYS H A 90 LYS HEx 1.0 . 5.50 1521 1379 A 90 LYS HEy A 90 LYS H 1.0 . 5.50 1522 1380 A 90 LYS HA A 90 LYS HGx 1.0 . 4.18 1523 1381 A 90 LYS HA A 90 LYS HDx 1.0 . 4.39 1524 1381 A 90 LYS HDy A 90 LYS HA 1.0 . 4.39 1525 1382 A 91 MET H A 90 LYS HA 1.0 . 2.98 1526 1383 A 90 LYS HA A 91 MET HBx 1.0 . 4.93 1527 1383 A 91 MET HBy A 90 LYS HA 1.0 . 4.93 1528 1384 A 91 MET H A 90 LYS HBy 1.0 . 3.45 1529 1385 A 90 LYS HBx A 90 LYS HEx 1.0 . 4.71 1530 1385 A 90 LYS HBx A 90 LYS HEy 1.0 . 4.71 1531 1386 A 91 MET HGy A 90 LYS HBx 1.0 . 5.50 1532 1387 A 90 LYS HGy A 90 LYS HEx 1.0 . 3.72 1533 1387 A 90 LYS HGy A 90 LYS HEy 1.0 . 3.72 1534 1388 A 91 MET H A 90 LYS HGy 1.0 . 4.87 1535 1389 A 90 LYS HGx A 90 LYS HEx 1.0 . 4.20 1536 1389 A 90 LYS HEy A 90 LYS HGx 1.0 . 4.20 1537 1390 A 90 LYS HDx A 90 LYS HEx 1.0 . 2.96 1538 1390 A 90 LYS HDy A 90 LYS HEx 1.0 . 2.96 1539 1390 A 90 LYS HEy A 90 LYS HDx 1.0 . 2.96 1540 1390 A 90 LYS HDy A 90 LYS HEy 1.0 . 2.96 1541 1391 A 91 MET H A 90 LYS HDx 1.0 . 3.78 1542 1391 A 91 MET H A 90 LYS HDy 1.0 . 3.78 1543 1392 A 91 MET HA A 90 LYS HDx 1.0 . 4.64 1544 1392 A 91 MET HA A 90 LYS HDy 1.0 . 4.64 1545 1393 A 90 LYS HDy A 91 MET HBx 1.0 . 4.86 1546 1393 A 91 MET HBy A 90 LYS HDx 1.0 . 4.86 1547 1393 A 91 MET HBy A 90 LYS HDy 1.0 . 4.86 1548 1393 A 90 LYS HDx A 91 MET HBx 1.0 . 4.86 1549 1394 A 92 SER H A 90 LYS HDx 1.0 . 4.79 1550 1394 A 92 SER H A 90 LYS HDy 1.0 . 4.79 1551 1395 A 91 MET H A 91 MET HGy 1.0 . 4.14 1552 1396 A 91 MET H A 91 MET HGx 1.0 . 3.93 1553 1397 A 91 MET H A 91 MET HBx 1.0 . 3.57 1554 1397 A 91 MET H A 91 MET HBy 1.0 . 3.57 1555 1398 A 91 MET H A 92 SER H 1.0 . 4.72 1556 1399 A 91 MET HA A 92 SER H 1.0 . 2.82 1557 1400 A 91 MET HA A 92 SER HBx 1.0 . 5.34 1558 1401 A 91 MET HA A 95 ILE HD11 1.0 . 3.70 1559 1402 A 91 MET HGy A 92 SER H 1.0 . 5.29 1560 1403 A 91 MET HGx A 95 ILE HD11 1.0 . 4.74 1561 1404 A 92 SER H A 91 MET HBx 1.0 . 4.64 1562 1404 A 91 MET HBy A 92 SER H 1.0 . 4.64 1563 1405 A 95 ILE HD11 A 91 MET HBx 1.0 . 4.95 1564 1405 A 91 MET HBy A 95 ILE HD11 1.0 . 4.95 1565 1406 A 92 SER H A 92 SER HBx 1.0 . 3.98 1566 1407 A 92 SER H A 95 ILE HB 1.0 . 4.70 1567 1408 A 92 SER H A 95 ILE HG1x 1.0 . 3.58 1568 1409 A 92 SER H A 95 ILE HG1y 1.0 . 3.64 1569 1410 A 92 SER H A 95 ILE HD11 1.0 . 3.80 1570 1411 A 92 SER H A 95 ILE HG21 1.0 . 4.74 1571 1412 A 92 SER HA A 93 LYS H 1.0 . 3.30 1572 1413 A 92 SER HA A 94 ASP H 1.0 . 4.53 1573 1414 A 92 SER HA A 95 ILE H 1.0 . 5.50 1574 1415 A 92 SER HA A 95 ILE HG1y 1.0 . 5.49 1575 1416 A 92 SER HA A 95 ILE HD11 1.0 . 5.38 1576 1417 A 93 LYS H A 92 SER HBy 1.0 . 3.50 1577 1418 A 94 ASP H A 92 SER HBy 1.0 . 4.06 1578 1419 A 95 ILE H A 92 SER HBy 1.0 . 5.11 1579 1420 A 93 LYS H A 92 SER HBx 1.0 . 4.21 1580 1421 A 94 ASP H A 92 SER HBx 1.0 . 4.73 1581 1422 A 95 ILE H A 92 SER HBx 1.0 . 5.50 1582 1423 A 93 LYS H A 93 LYS HBy 1.0 . 3.55 1583 1424 A 93 LYS H A 93 LYS HGy 1.0 . 4.36 1584 1425 A 93 LYS H A 94 ASP H 1.0 . 3.81 1585 1426 A 93 LYS H A 94 ASP HA 1.0 . 5.50 1586 1427 A 93 LYS H A 95 ILE H 1.0 . 5.50 1587 1428 A 93 LYS HA A 93 LYS HEx 1.0 . 4.54 1588 1429 A 93 LYS HA A 93 LYS HGy 1.0 . 3.84 1589 1430 A 93 LYS HA A 95 ILE H 1.0 . 4.78 1590 1431 A 93 LYS HA A 95 ILE HG1y 1.0 . 4.29 1591 1432 A 94 ASP H A 93 LYS HBy 1.0 . 4.22 1592 1433 A 94 ASP H A 94 ASP HBx 1.0 . 3.66 1593 1434 A 94 ASP H A 94 ASP HBy 1.0 . 3.83 1594 1435 A 94 ASP H A 95 ILE H 1.0 . 3.83 1595 1436 A 94 ASP H A 95 ILE HG1x 1.0 . 5.45 1596 1437 A 94 ASP H A 95 ILE HG1y 1.0 . 4.70 1597 1438 A 94 ASP H A 95 ILE HG21 1.0 . 5.50 1598 1439 A 96 ASP H A 94 ASP HA 1.0 . 5.06 1599 1440 A 95 ILE H A 94 ASP HBx 1.0 . 4.24 1600 1441 A 95 ILE HG21 A 94 ASP HBx 1.0 . 4.55 1601 1442 A 95 ILE H A 94 ASP HBy 1.0 . 4.19 1602 1443 A 95 ILE HA A 94 ASP HBy 1.0 . 4.23 1603 1444 A 95 ILE H A 95 ILE HG1x 1.0 . 3.49 1604 1445 A 95 ILE H A 95 ILE HG1y 1.0 . 3.80 1605 1446 A 95 ILE H A 95 ILE HD11 1.0 . 4.49 1606 1447 A 95 ILE H A 95 ILE HG21 1.0 . 4.26 1607 1448 A 95 ILE H A 96 ASP H 1.0 . 3.68 1608 1449 A 96 ASP HA A 95 ILE H 1.0 . 5.05 1609 1450 A 95 ILE H A 96 ASP HBx 1.0 . 4.98 1610 1451 A 95 ILE H A 98 ILE HB 1.0 . 5.50 1611 1452 A 95 ILE HA A 95 ILE HG21 1.0 . 3.37 1612 1453 A 97 GLY H A 95 ILE HA 1.0 . 4.50 1613 1454 A 98 ILE H A 95 ILE HA 1.0 . 3.81 1614 1455 A 95 ILE HA A 98 ILE HB 1.0 . 4.50 1615 1456 A 98 ILE HG1y A 95 ILE HA 1.0 . 4.71 1616 1457 A 95 ILE HB A 95 ILE HD11 1.0 . 3.68 1617 1458 A 96 ASP H A 95 ILE HB 1.0 . 4.80 1618 1459 A 97 GLY H A 95 ILE HB 1.0 . 5.32 1619 1460 A 98 ILE H A 95 ILE HB 1.0 . 4.14 1620 1461 A 95 ILE HB A 98 ILE HG21 1.0 . 4.29 1621 1462 A 96 ASP H A 95 ILE HG1y 1.0 . 4.86 1622 1463 A 96 ASP HA A 95 ILE HG1y 1.0 . 5.50 1623 1464 A 97 GLY H A 95 ILE HG1y 1.0 . 4.06 1624 1465 A 95 ILE HG1y A 98 ILE HG21 1.0 . 4.49 1625 1466 A 97 GLY H A 95 ILE HD11 1.0 . 4.09 1626 1467 A 98 ILE H A 95 ILE HD11 1.0 . 4.76 1627 1468 A 96 ASP HA A 95 ILE HG21 1.0 . 5.50 1628 1469 A 96 ASP H A 96 ASP HBy 1.0 . 3.26 1629 1470 A 96 ASP H A 96 ASP HBx 1.0 . 2.96 1630 1471 A 97 GLY H A 96 ASP H 1.0 . 4.55 1631 1472 A 97 GLY H A 96 ASP HA 1.0 . 3.16 1632 1473 A 97 GLY H A 96 ASP HBy 1.0 . 5.06 1633 1474 A 97 GLY H A 96 ASP HBx 1.0 . 4.43 1634 1475 A 97 GLY H A 98 ILE H 1.0 . 3.58 1635 1476 A 98 ILE H A 98 ILE HB 1.0 . 3.20 1636 1477 A 98 ILE HD11 A 98 ILE H 1.0 . 4.52 1637 1478 A 99 ARG HA A 98 ILE HD11 1.0 . 5.50 1638 1479 A 98 ILE HD11 A 99 ARG HBy 1.0 . 4.90 1639 1480 A 100 VAL HG21 A 98 ILE HG21 1.0 . 4.98 1640 1481 A 100 VAL H A 99 ARG HA 1.0 . 3.04 1641 1482 A 99 ARG HA A 100 VAL HG11 1.0 . 4.85 1642 1483 A 99 ARG HA A 100 VAL HG21 1.0 . 4.86 1643 1484 A 99 ARG HA A 99 ARG HDx 1.0 . 5.10 1644 1484 A 99 ARG HA A 99 ARG HDy 1.0 . 5.10 1645 1485 A 100 VAL H A 99 ARG HBx 1.0 . 4.66 1646 1486 A 99 ARG HBx A 100 VAL HA 1.0 . 4.89 1647 1487 A 99 ARG HBx A 99 ARG HDx 1.0 . 3.17 1648 1487 A 99 ARG HBx A 99 ARG HDy 1.0 . 3.17 1649 1488 A 99 ARG HBy A 99 ARG HDx 1.0 . 4.12 1650 1488 A 99 ARG HBy A 99 ARG HDy 1.0 . 4.12 1651 1489 A 100 VAL H A 99 ARG HGy 1.0 . 5.04 1652 1490 A 99 ARG HGy A 100 VAL HG21 1.0 . 5.28 1653 1491 A 100 VAL H A 99 ARG HGx 1.0 . 5.00 1654 1492 A 100 VAL H A 99 ARG HDx 1.0 . 5.50 1655 1492 A 100 VAL H A 99 ARG HDy 1.0 . 5.50 1656 1493 A 100 VAL H A 100 VAL HG11 1.0 . 4.21 1657 1494 A 100 VAL H A 100 VAL HG21 1.0 . 3.70 1658 1495 A 100 VAL HG11 A 100 VAL HA 1.0 . 3.35 1659 1496 A 101 ALA H A 100 VAL HA 1.0 . 3.21 1660 1497 A 101 ALA HB1 A 100 VAL HA 1.0 . 4.04 1661 1498 A 101 ALA H A 100 VAL HB 1.0 . 4.00 1662 1499 A 101 ALA HA A 100 VAL HB 1.0 . 4.55 1663 1500 A 100 VAL HG11 A 101 ALA H 1.0 . 4.70 1664 1501 A 100 VAL HG21 A 101 ALA H 1.0 . 5.50 1665 1502 A 100 VAL HG21 A 101 ALA HA 1.0 . 5.40 1666 1503 A 100 VAL HG21 A 101 ALA HB1 1.0 . 5.50 1667 1504 A 100 VAL HG21 A 102 LEU H 1.0 . 5.50 1668 1505 A 100 VAL HG21 A 102 LEU HBy 1.0 . 5.50 1669 1506 A 100 VAL HG21 A 102 LEU HG 1.0 . 5.50 1670 1507 A 100 VAL HG21 A 102 LEU HD11 1.0 . 5.04 1671 1507 A 100 VAL HG21 A 102 LEU HD21 1.0 . 5.04 1672 1508 A 101 ALA H A 101 ALA HB1 1.0 . 3.60 1673 1509 A 101 ALA H A 102 LEU H 1.0 . 5.46 1674 1510 A 101 ALA HA A 102 LEU H 1.0 . 3.04 1675 1511 A 101 ALA HA A 102 LEU HBy 1.0 . 4.81 1676 1512 A 102 LEU H A 101 ALA HB1 1.0 . 3.79 1677 1513 A 102 LEU H A 102 LEU HBy 1.0 . 3.34 1678 1514 A 102 LEU H A 102 LEU HD11 1.0 . 4.16 1679 1515 A 102 LEU H A 102 LEU HD11 1.0 . 5.40 1680 1515 A 102 LEU HD21 A 102 LEU H 1.0 . 5.40 1681 1516 A 102 LEU HA A 102 LEU HD11 1.0 . 4.82 1682 1516 A 102 LEU HD21 A 102 LEU HA 1.0 . 4.82 1683 1517 A 102 LEU HBy A 102 LEU HD11 1.0 . 3.75 1684 1517 A 102 LEU HD21 A 102 LEU HBy 1.0 . 3.75 1685 1518 A 113 ASP HA A 114 PHE H 1.0 . 3.33 1686 1519 A 114 PHE H A 113 ASP HBx 1.0 . 4.55 1687 1520 A 114 PHE H A 113 ASP HBy 1.0 . 4.21 1688 1521 A 114 PHE H A 115 SER H 1.0 . 5.50 1689 1522 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 FE2 A 27 LEU CA 1.0 . 7.05 2 2 B 1 FES FE1 A 72 MET CA 1.0 . 7.75 3 3 B 1 FES FE2 A 72 MET CA 1.0 . 7.05 4 4 B 1 FES FE1 A 69 GLU CA 1.0 . 7.90 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 FE1 A 73 LEU CA 1.0 . 9.95 9 9 B 1 FES FE2 A 73 LEU CA 1.0 . 9.95 stop_ save_