data_nef_c25449_2myf 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 NCBI XP_002809024.1 PDB 2MYF stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -2 GLY start . false 2 A -1 SER middle . . 3 A 0 HIS middle . . 4 A 1 MET middle . . 5 A 2 SER middle . . 6 A 3 ASP middle . . 7 A 4 ASN middle . . 8 A 5 ASN middle . . 9 A 6 ALA middle . . 10 A 7 THR middle . . 11 A 8 ASP middle . . 12 A 9 ILE middle . . 13 A 10 LEU middle . . 14 A 11 PHE middle . . 15 A 12 VAL middle . . 16 A 13 GLY middle . false 17 A 14 GLY middle . false 18 A 15 ILE middle . . 19 A 16 ASP middle . . 20 A 17 GLU middle . . 21 A 18 THR middle . . 22 A 19 ILE middle . . 23 A 20 ASP middle . . 24 A 21 GLU middle . . 25 A 22 LYS middle . . 26 A 23 SER middle . . 27 A 24 LEU middle . . 28 A 25 TYR middle . . 29 A 26 ASP middle . . 30 A 27 ILE middle . . 31 A 28 PHE middle . . 32 A 29 SER middle . . 33 A 30 SER middle . . 34 A 31 PHE middle . . 35 A 32 GLY middle . false 36 A 33 ASP middle . . 37 A 34 ILE middle . . 38 A 35 ARG middle . . 39 A 36 ASN middle . . 40 A 37 ILE middle . . 41 A 38 GLU middle . . 42 A 39 VAL middle . . 43 A 40 PRO middle . false 44 A 41 LEU middle . . 45 A 42 ASN middle . . 46 A 43 MET middle . . 47 A 44 THR middle . . 48 A 45 THR middle . . 49 A 46 LYS middle . . 50 A 47 LYS middle . . 51 A 48 ASN middle . . 52 A 49 ARG middle . . 53 A 50 GLY middle . false 54 A 51 PHE middle . . 55 A 52 ALA middle . . 56 A 53 PHE middle . . 57 A 54 VAL middle . . 58 A 55 GLU middle . . 59 A 56 TYR middle . . 60 A 57 VAL middle . . 61 A 58 GLU middle . . 62 A 59 VAL middle . . 63 A 60 ASP middle . . 64 A 61 ASP middle . . 65 A 62 ALA middle . . 66 A 63 LYS middle . . 67 A 64 HIS middle . . 68 A 65 ALA middle . . 69 A 66 LEU middle . . 70 A 67 TYR middle . . 71 A 68 ASN middle . . 72 A 69 MET middle . . 73 A 70 ASN middle . . 74 A 71 ASN middle . . 75 A 72 PHE middle . . 76 A 73 GLU middle . . 77 A 74 LEU middle . . 78 A 75 ASN middle . . 79 A 76 GLY middle . false 80 A 77 LYS middle . . 81 A 78 ARG middle . . 82 A 79 ILE middle . . 83 A 80 HIS middle . . 84 A 81 VAL middle . . 85 A 82 ASN middle . . 86 A 83 TYR middle . . 87 A 84 SER middle . . 88 A 85 LYS middle . . 89 A 86 THR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -2 GLY HA3 H 1 3.78 0.02 A -2 GLY C C 13 173.9 0.3 A -2 GLY CA C 13 43.4 0.3 A -1 SER H H 1 8.67 0.02 A -1 SER HA H 1 4.41 0.02 A -1 SER HB2 H 1 3.74 0.02 A -1 SER C C 13 172 0.3 A -1 SER CA C 13 58.2 0.3 A -1 SER CB C 13 63.9 0.3 A -1 SER N N 15 115.6 0.3 A 0 HIS H H 1 8.73 0.02 A 0 HIS HA H 1 4.59 0.02 A 0 HIS HBy H 1 3.11 0.02 A 0 HIS HBx H 1 3 0.02 A 0 HIS HD2 H 1 7.06 0.02 A 0 HIS C C 13 174.8 0.3 A 0 HIS CA C 13 56.1 0.3 A 0 HIS CB C 13 29.9 0.3 A 0 HIS CD2 C 13 120.1 0.3 A 0 HIS N N 15 121.2 0.3 A 1 MET H H 1 8.45 0.02 A 1 MET HA H 1 4.37 0.02 A 1 MET HBy H 1 1.99 0.02 A 1 MET HBx H 1 1.88 0.02 A 1 MET HGy H 1 2.45 0.02 A 1 MET HGx H 1 2.37 0.02 A 1 MET C C 13 176.3 0.3 A 1 MET CA C 13 55.7 0.3 A 1 MET CB C 13 32.8 0.3 A 1 MET CG C 13 31.9 0.3 A 1 MET N N 15 121.8 0.3 A 2 SER H H 1 8.41 0.02 A 2 SER HA H 1 4.37 0.02 A 2 SER HBy H 1 3.83 0.02 A 2 SER HBx H 1 3.77 0.02 A 2 SER C C 13 174.2 0.3 A 2 SER CA C 13 58.4 0.3 A 2 SER CB C 13 63.8 0.3 A 2 SER N N 15 116.7 0.3 A 3 ASP H H 1 8.34 0.02 A 3 ASP HA H 1 4.55 0.02 A 3 ASP HBy H 1 2.65 0.02 A 3 ASP HBx H 1 2.58 0.02 A 3 ASP C C 13 176.1 0.3 A 3 ASP CA C 13 54.5 0.3 A 3 ASP CB C 13 41.2 0.3 A 3 ASP N N 15 122.1 0.3 A 4 ASN H H 1 8.42 0.02 A 4 ASN HA H 1 4.58 0.02 A 4 ASN HB2 H 1 2.69 0.02 A 4 ASN HD21 H 1 7.48 0.02 A 4 ASN HD22 H 1 6.86 0.02 A 4 ASN C C 13 174.9 0.3 A 4 ASN CA C 13 53.7 0.3 A 4 ASN CB C 13 38.9 0.3 A 4 ASN N N 15 119.1 0.3 A 4 ASN ND2 N 15 112.6 0.3 A 5 ASN H H 1 8.34 0.02 A 5 ASN HA H 1 4.54 0.02 A 5 ASN HB2 H 1 2.66 0.02 A 5 ASN HD21 H 1 7.53 0.02 A 5 ASN HD22 H 1 7.25 0.02 A 5 ASN C C 13 173.9 0.3 A 5 ASN CA C 13 53.2 0.3 A 5 ASN CB C 13 38.7 0.3 A 5 ASN N N 15 118.4 0.3 A 5 ASN ND2 N 15 114.6 0.3 A 6 ALA H H 1 7.59 0.02 A 6 ALA HA H 1 2.74 0.02 A 6 ALA HB% H 1 1.02 0.02 A 6 ALA C C 13 177 0.3 A 6 ALA CA C 13 52.3 0.3 A 6 ALA CB C 13 20 0.3 A 6 ALA N N 15 122.1 0.3 A 7 THR H H 1 6.84 0.02 A 7 THR HA H 1 4.39 0.02 A 7 THR HB H 1 4.34 0.02 A 7 THR HG2% H 1 1.1 0.02 A 7 THR C C 13 171.7 0.3 A 7 THR CA C 13 59.8 0.3 A 7 THR CB C 13 70.6 0.3 A 7 THR CG2 C 13 21.5 0.3 A 7 THR N N 15 112.7 0.3 A 8 ASP H H 1 8.17 0.02 A 8 ASP HA H 1 4.49 0.02 A 8 ASP HBy H 1 3.39 0.02 A 8 ASP HBx H 1 2.38 0.02 A 8 ASP C C 13 174.3 0.3 A 8 ASP CA C 13 53.5 0.3 A 8 ASP CB C 13 39.8 0.3 A 8 ASP N N 15 114.6 0.3 A 9 ILE H H 1 7.89 0.02 A 9 ILE HA H 1 4.81 0.02 A 9 ILE HB H 1 1.77 0.02 A 9 ILE HD1% H 1 0.71 0.02 A 9 ILE HG1y H 1 1.76 0.02 A 9 ILE HG1x H 1 0.76 0.02 A 9 ILE HG2% H 1 0.89 0.02 A 9 ILE C C 13 174.7 0.3 A 9 ILE CA C 13 60.6 0.3 A 9 ILE CB C 13 40.3 0.3 A 9 ILE CD1 C 13 13.8 0.3 A 9 ILE CG1 C 13 27.8 0.3 A 9 ILE CG2 C 13 17.7 0.3 A 9 ILE N N 15 117.8 0.3 A 10 LEU H H 1 9.37 0.02 A 10 LEU HA H 1 4.96 0.02 A 10 LEU HBy H 1 1.63 0.02 A 10 LEU HBx H 1 1.05 0.02 A 10 LEU HD1% H 1 0.92 0.02 A 10 LEU HD2% H 1 0.62 0.02 A 10 LEU HG H 1 0.88 0.02 A 10 LEU C C 13 176.1 0.3 A 10 LEU CA C 13 52.9 0.3 A 10 LEU CB C 13 43.1 0.3 A 10 LEU CD1 C 13 23.7 0.3 A 10 LEU CD2 C 13 23.7 0.3 A 10 LEU CG C 13 26.6 0.3 A 10 LEU N N 15 125.3 0.3 A 11 PHE H H 1 9.31 0.02 A 11 PHE HA H 1 4.67 0.02 A 11 PHE HB3 H 1 2.8 0.02 A 11 PHE HD2 H 1 6.83 0.02 A 11 PHE HE2 H 1 6.85 0.02 A 11 PHE C C 13 173.4 0.3 A 11 PHE CA C 13 57 0.3 A 11 PHE CB C 13 40.7 0.3 A 11 PHE CD1 C 13 131.8 0.3 A 11 PHE CE2 C 13 132.1 0.3 A 11 PHE N N 15 124.3 0.3 A 12 VAL H H 1 8.38 0.02 A 12 VAL HA H 1 4.42 0.02 A 12 VAL HB H 1 1.49 0.02 A 12 VAL HG1% H 1 0.63 0.02 A 12 VAL HG2% H 1 0.39 0.02 A 12 VAL C C 13 173.9 0.3 A 12 VAL CA C 13 60.2 0.3 A 12 VAL CB C 13 33.1 0.3 A 12 VAL CG1 C 13 21.5 0.3 A 12 VAL CG2 C 13 20.8 0.3 A 12 VAL N N 15 128.3 0.3 A 13 GLY H H 1 9.15 0.02 A 13 GLY HAy H 1 3.75 0.02 A 13 GLY HAx H 1 3.52 0.02 A 13 GLY C C 13 173.8 0.3 A 13 GLY CA C 13 43.4 0.3 A 13 GLY N N 15 111.8 0.3 A 14 GLY H H 1 8.26 0.02 A 14 GLY HAx H 1 3.78 0.02 A 14 GLY HAy H 1 4.31 0.02 A 14 GLY C C 13 175.4 0.3 A 14 GLY CA C 13 45.8 0.3 A 14 GLY N N 15 107.6 0.3 A 15 ILE H H 1 6.93 0.02 A 15 ILE HA H 1 4.04 0.02 A 15 ILE HD1% H 1 0.34 0.02 A 15 ILE HG13 H 1 1.22 0.02 A 15 ILE HG2% H 1 0.62 0.02 A 15 ILE C C 13 175.5 0.3 A 15 ILE CA C 13 60.5 0.3 A 15 ILE CB C 13 38.5 0.3 A 15 ILE CD1 C 13 13.5 0.3 A 15 ILE CG1 C 13 25.1 0.3 A 15 ILE CG2 C 13 18.4 0.3 A 15 ILE N N 15 111.1 0.3 A 16 ASP H H 1 8.32 0.02 A 16 ASP HA H 1 4.58 0.02 A 16 ASP HBy H 1 2.99 0.02 A 16 ASP HBx H 1 2.48 0.02 A 16 ASP C C 13 177.2 0.3 A 16 ASP CA C 13 53.7 0.3 A 16 ASP CB C 13 42.5 0.3 A 16 ASP N N 15 122.8 0.3 A 17 GLU H H 1 8.83 0.02 A 17 GLU HA H 1 4.14 0.02 A 17 GLU HB2 H 1 2.03 0.02 A 17 GLU HGy H 1 2.26 0.02 A 17 GLU HGx H 1 2.17 0.02 A 17 GLU C C 13 176.8 0.3 A 17 GLU CA C 13 58.6 0.3 A 17 GLU CB C 13 29.8 0.3 A 17 GLU CG C 13 36 0.3 A 17 GLU N N 15 119.6 0.3 A 18 THR H H 1 8.74 0.02 A 18 THR HA H 1 4.25 0.02 A 18 THR HB H 1 4.24 0.02 A 18 THR HG2% H 1 1.16 0.02 A 18 THR C C 13 175.2 0.3 A 18 THR CA C 13 62.6 0.3 A 18 THR CB C 13 69.6 0.3 A 18 THR CG2 C 13 21.8 0.3 A 18 THR N N 15 111.3 0.3 A 19 ILE H H 1 7.22 0.02 A 19 ILE HA H 1 3.88 0.02 A 19 ILE HB H 1 1.91 0.02 A 19 ILE HD1% H 1 0.63 0.02 A 19 ILE HG13 H 1 0.83 0.02 A 19 ILE HG2% H 1 0.75 0.02 A 19 ILE C C 13 174.3 0.3 A 19 ILE CA C 13 59.9 0.3 A 19 ILE CB C 13 35.6 0.3 A 19 ILE CD1 C 13 9.7 0.3 A 19 ILE CG1 C 13 25.5 0.3 A 19 ILE CG2 C 13 18.3 0.3 A 19 ILE N N 15 123.3 0.3 A 20 ASP H H 1 7.79 0.02 A 20 ASP HA H 1 4.64 0.02 A 20 ASP HBy H 1 3.09 0.02 A 20 ASP HBx H 1 2.66 0.02 A 20 ASP C C 13 175.3 0.3 A 20 ASP CA C 13 51.5 0.3 A 20 ASP CB C 13 43 0.3 A 20 ASP N N 15 125.6 0.3 A 21 GLU H H 1 9.22 0.02 A 21 GLU HA H 1 3.63 0.02 A 21 GLU HBy H 1 2 0.02 A 21 GLU HBx H 1 1.9 0.02 A 21 GLU HGy H 1 2.27 0.02 A 21 GLU HGx H 1 2.12 0.02 A 21 GLU C C 13 177.9 0.3 A 21 GLU CA C 13 60.9 0.3 A 21 GLU CB C 13 29.2 0.3 A 21 GLU CG C 13 36.6 0.3 A 21 GLU N N 15 118.4 0.3 A 22 LYS H H 1 8.04 0.02 A 22 LYS HA H 1 4.06 0.02 A 22 LYS HB3 H 1 1.86 0.02 A 22 LYS HD2 H 1 1.57 0.02 A 22 LYS HE2 H 1 2.87 0.02 A 22 LYS HG2 H 1 1.39 0.02 A 22 LYS C C 13 178.5 0.3 A 22 LYS CA C 13 59.3 0.3 A 22 LYS CB C 13 31.8 0.3 A 22 LYS CD C 13 28.5 0.3 A 22 LYS CE C 13 42.2 0.3 A 22 LYS CG C 13 24.7 0.3 A 22 LYS N N 15 119.7 0.3 A 23 SER H H 1 8.24 0.02 A 23 SER HA H 1 4.3 0.02 A 23 SER HBy H 1 4.07 0.02 A 23 SER HBx H 1 3.91 0.02 A 23 SER C C 13 177.6 0.3 A 23 SER CA C 13 61.8 0.3 A 23 SER CB C 13 62.9 0.3 A 23 SER N N 15 114.9 0.3 A 24 LEU H H 1 7.75 0.02 A 24 LEU HA H 1 4.18 0.02 A 24 LEU HBy H 1 1.82 0.02 A 24 LEU HBx H 1 1.15 0.02 A 24 LEU HD1% H 1 0.41 0.02 A 24 LEU HD2% H 1 0.6 0.02 A 24 LEU HG H 1 1.11 0.02 A 24 LEU C C 13 178.7 0.3 A 24 LEU CA C 13 57.3 0.3 A 24 LEU CB C 13 42.1 0.3 A 24 LEU CD1 C 13 26.4 0.3 A 24 LEU CD2 C 13 23.4 0.3 A 24 LEU CG C 13 27 0.3 A 24 LEU N N 15 118.8 0.3 A 25 TYR H H 1 8.97 0.02 A 25 TYR HA H 1 3.63 0.02 A 25 TYR HBy H 1 3.22 0.02 A 25 TYR HBx H 1 3.07 0.02 A 25 TYR HD2 H 1 7.04 0.02 A 25 TYR HE2 H 1 6.76 0.02 A 25 TYR C C 13 178.6 0.3 A 25 TYR CA C 13 63.2 0.3 A 25 TYR CB C 13 38.2 0.3 A 25 TYR CD1 C 13 133.1 0.3 A 25 TYR CE2 C 13 118.8 0.3 A 25 TYR N N 15 123.2 0.3 A 26 ASP H H 1 8.51 0.02 A 26 ASP HA H 1 4.27 0.02 A 26 ASP HBy H 1 2.77 0.02 A 26 ASP HBx H 1 2.63 0.02 A 26 ASP C C 13 177.9 0.3 A 26 ASP CA C 13 57.7 0.3 A 26 ASP CB C 13 40 0.3 A 26 ASP N N 15 119.8 0.3 A 27 ILE H H 1 7.32 0.02 A 27 ILE HA H 1 3.96 0.02 A 27 ILE HB H 1 1.58 0.02 A 27 ILE HD1% H 1 0.68 0.02 A 27 ILE HG13 H 1 1.11 0.02 A 27 ILE HG2% H 1 0.45 0.02 A 27 ILE C C 13 177.7 0.3 A 27 ILE CA C 13 63.3 0.3 A 27 ILE CB C 13 39 0.3 A 27 ILE CD1 C 13 13.9 0.3 A 27 ILE CG1 C 13 27.6 0.3 A 27 ILE CG2 C 13 17.3 0.3 A 27 ILE N N 15 114.7 0.3 A 28 PHE H H 1 8.65 0.02 A 28 PHE HA H 1 4.37 0.02 A 28 PHE HBy H 1 3.36 0.02 A 28 PHE HBx H 1 2.65 0.02 A 28 PHE HD2 H 1 6.77 0.02 A 28 PHE HE2 H 1 7.77 0.02 A 28 PHE C C 13 179.9 0.3 A 28 PHE CA C 13 62.3 0.3 A 28 PHE CB C 13 37.3 0.3 A 28 PHE CD1 C 13 129.6 0.3 A 28 PHE CE2 C 13 132.3 0.3 A 28 PHE N N 15 116.9 0.3 A 29 SER H H 1 8.88 0.02 A 29 SER HA H 1 4.41 0.02 A 29 SER HBy H 1 3.76 0.02 A 29 SER HBx H 1 3.71 0.02 A 29 SER C C 13 175.6 0.3 A 29 SER CA C 13 61.3 0.3 A 29 SER CB C 13 62.2 0.3 A 29 SER N N 15 120.1 0.3 A 30 SER H H 1 7.27 0.02 A 30 SER HA H 1 3.94 0.02 A 30 SER HBy H 1 3.3 0.02 A 30 SER HBx H 1 3.16 0.02 A 30 SER C C 13 174.9 0.3 A 30 SER CA C 13 60.4 0.3 A 30 SER CB C 13 62.4 0.3 A 30 SER N N 15 116.2 0.3 A 31 PHE H H 1 6.98 0.02 A 31 PHE HA H 1 4.28 0.02 A 31 PHE HBy H 1 3.26 0.02 A 31 PHE HBx H 1 2.66 0.02 A 31 PHE C C 13 174.1 0.3 A 31 PHE CA C 13 58.9 0.3 A 31 PHE CB C 13 39.3 0.3 A 31 PHE N N 15 115.6 0.3 A 32 GLY H H 1 7.3 0.02 A 32 GLY HAy H 1 4.74 0.02 A 32 GLY HAx H 1 3.73 0.02 A 32 GLY C C 13 171.6 0.3 A 32 GLY CA C 13 44.3 0.3 A 32 GLY N N 15 104.9 0.3 A 33 ASP H H 1 8.12 0.02 A 33 ASP HA H 1 4.51 0.02 A 33 ASP HB2 H 1 2.59 0.02 A 33 ASP C C 13 176.8 0.3 A 33 ASP CA C 13 55.4 0.3 A 33 ASP CB C 13 40.6 0.3 A 33 ASP N N 15 116.1 0.3 A 34 ILE H H 1 8.67 0.02 A 34 ILE HA H 1 3.85 0.02 A 34 ILE HB H 1 1.69 0.02 A 34 ILE HD1% H 1 0.14 0.02 A 34 ILE HG1y H 1 1.36 0.02 A 34 ILE HG1x H 1 0.3 0.02 A 34 ILE HG2% H 1 0.54 0.02 A 34 ILE C C 13 176.2 0.3 A 34 ILE CA C 13 60.2 0.3 A 34 ILE CB C 13 39.9 0.3 A 34 ILE CD1 C 13 12.7 0.3 A 34 ILE CG1 C 13 27.8 0.3 A 34 ILE CG2 C 13 17.5 0.3 A 34 ILE N N 15 126.4 0.3 A 35 ARG H H 1 9.32 0.02 A 35 ARG HA H 1 4.16 0.02 A 35 ARG HBy H 1 1.39 0.02 A 35 ARG HBx H 1 1.33 0.02 A 35 ARG HD2 H 1 3.1 0.02 A 35 ARG HG2 H 1 1.38 0.02 A 35 ARG C C 13 175.6 0.3 A 35 ARG CA C 13 57.5 0.3 A 35 ARG CB C 13 31.7 0.3 A 35 ARG CD C 13 43.2 0.3 A 35 ARG CG C 13 27.4 0.3 A 35 ARG N N 15 128.9 0.3 A 36 ASN H H 1 7.62 0.02 A 36 ASN HA H 1 4.71 0.02 A 36 ASN HBy H 1 2.67 0.02 A 36 ASN HBx H 1 2.37 0.02 A 36 ASN HD21 H 1 7.62 0.02 A 36 ASN HD22 H 1 6.95 0.02 A 36 ASN C C 13 172 0.3 A 36 ASN CA C 13 53.5 0.3 A 36 ASN CB C 13 42.6 0.3 A 36 ASN N N 15 114.3 0.3 A 36 ASN ND2 N 15 113.4 0.3 A 37 ILE H H 1 8.03 0.02 A 37 ILE HA H 1 4.77 0.02 A 37 ILE HB H 1 1.53 0.02 A 37 ILE HD1% H 1 0.68 0.02 A 37 ILE HG13 H 1 1.56 0.02 A 37 ILE HG2% H 1 0.71 0.02 A 37 ILE C C 13 173.3 0.3 A 37 ILE CA C 13 60.6 0.3 A 37 ILE CB C 13 41.2 0.3 A 37 ILE CD1 C 13 13.7 0.3 A 37 ILE CG1 C 13 28.5 0.3 A 37 ILE CG2 C 13 17 0.3 A 37 ILE N N 15 122.7 0.3 A 38 GLU H H 1 8.87 0.02 A 38 GLU HA H 1 4.66 0.02 A 38 GLU HBy H 1 2.06 0.02 A 38 GLU HBx H 1 1.88 0.02 A 38 GLU HGy H 1 2.18 0.02 A 38 GLU HGx H 1 2 0.02 A 38 GLU C C 13 174.8 0.3 A 38 GLU CA C 13 54.4 0.3 A 38 GLU CB C 13 33.4 0.3 A 38 GLU CG C 13 35.7 0.3 A 38 GLU N N 15 126.7 0.3 A 39 VAL H H 1 8.97 0.02 A 39 VAL HG2% H 1 0.55 0.02 A 39 VAL CA C 13 58.7 0.3 A 39 VAL CB C 13 32.6 0.3 A 39 VAL CG2 C 13 21.3 0.3 A 39 VAL N N 15 126.4 0.3 A 40 PRO HA H 1 4.23 0.02 A 40 PRO HBy H 1 2.33 0.02 A 40 PRO HBx H 1 1.43 0.02 A 40 PRO HDy H 1 3.46 0.02 A 40 PRO HDx H 1 3.1 0.02 A 40 PRO HG2 H 1 1.88 0.02 A 40 PRO C C 13 176.3 0.3 A 40 PRO CA C 13 63.3 0.3 A 40 PRO CB C 13 32.5 0.3 A 40 PRO CD C 13 50.2 0.3 A 40 PRO CG C 13 27.9 0.3 A 41 LEU H H 1 8.52 0.02 A 41 LEU HA H 1 4.52 0.02 A 41 LEU HBy H 1 1.5 0.02 A 41 LEU HBx H 1 0.94 0.02 A 41 LEU HD1% H 1 0.72 0.02 A 41 LEU HD2% H 1 0.5 0.02 A 41 LEU HG H 1 0.94 0.02 A 41 LEU C C 13 177.9 0.3 A 41 LEU CA C 13 53.1 0.3 A 41 LEU CB C 13 44.3 0.3 A 41 LEU CD1 C 13 25.2 0.3 A 41 LEU CD2 C 13 22.4 0.3 A 41 LEU CG C 13 25 0.3 A 41 LEU N N 15 120.7 0.3 A 42 ASN H H 1 8.74 0.02 A 42 ASN HA H 1 4.56 0.02 A 42 ASN HBy H 1 3.2 0.02 A 42 ASN HBx H 1 2.43 0.02 A 42 ASN HD21 H 1 7.72 0.02 A 42 ASN HD22 H 1 7.23 0.02 A 42 ASN C C 13 176.7 0.3 A 42 ASN CA C 13 52.9 0.3 A 42 ASN CB C 13 39 0.3 A 42 ASN N N 15 121.4 0.3 A 42 ASN ND2 N 15 114.7 0.3 A 43 MET H H 1 9.08 0.02 A 43 MET HA H 1 4.21 0.02 A 43 MET HBy H 1 2.09 0.02 A 43 MET HBx H 1 2.07 0.02 A 43 MET HGy H 1 2.69 0.02 A 43 MET HGx H 1 2.54 0.02 A 43 MET C C 13 177.2 0.3 A 43 MET CA C 13 57.1 0.3 A 43 MET CB C 13 31.6 0.3 A 43 MET CG C 13 32.3 0.3 A 43 MET N N 15 125.5 0.3 A 44 THR H H 1 8.59 0.02 A 44 THR HA H 1 4.16 0.02 A 44 THR HB H 1 4.26 0.02 A 44 THR HG2% H 1 1.17 0.02 A 44 THR C C 13 175.9 0.3 A 44 THR CA C 13 65.2 0.3 A 44 THR CB C 13 68.7 0.3 A 44 THR CG2 C 13 21.9 0.3 A 44 THR N N 15 114.4 0.3 A 45 THR H H 1 7.61 0.02 A 45 THR HA H 1 4.16 0.02 A 45 THR HB H 1 4.21 0.02 A 45 THR HG2% H 1 1.08 0.02 A 45 THR C C 13 175.5 0.3 A 45 THR CA C 13 62 0.3 A 45 THR CB C 13 70 0.3 A 45 THR CG2 C 13 21.6 0.3 A 45 THR N N 15 110.3 0.3 A 46 LYS H H 1 8.46 0.02 A 46 LYS HA H 1 3.72 0.02 A 46 LYS HBy H 1 2.09 0.02 A 46 LYS HBx H 1 1.97 0.02 A 46 LYS HD2 H 1 1.53 0.02 A 46 LYS HE2 H 1 2.92 0.02 A 46 LYS HG2 H 1 1.23 0.02 A 46 LYS C C 13 174.6 0.3 A 46 LYS CA C 13 57.6 0.3 A 46 LYS CB C 13 28.9 0.3 A 46 LYS CD C 13 28.6 0.3 A 46 LYS CE C 13 42.2 0.3 A 46 LYS CG C 13 25 0.3 A 46 LYS N N 15 115.7 0.3 A 47 LYS H H 1 7.61 0.02 A 47 LYS HA H 1 4.68 0.02 A 47 LYS HB3 H 1 1.86 0.02 A 47 LYS HD2 H 1 1.61 0.02 A 47 LYS HE2 H 1 2.87 0.02 A 47 LYS HG2 H 1 1.29 0.02 A 47 LYS C C 13 176.3 0.3 A 47 LYS CA C 13 54 0.3 A 47 LYS CB C 13 35.1 0.3 A 47 LYS CD C 13 28.7 0.3 A 47 LYS CE C 13 42.2 0.3 A 47 LYS CG C 13 25 0.3 A 47 LYS N N 15 117.1 0.3 A 48 ASN H H 1 8.74 0.02 A 48 ASN HA H 1 4.7 0.02 A 48 ASN HBy H 1 3.25 0.02 A 48 ASN HBx H 1 2.46 0.02 A 48 ASN HD21 H 1 7.36 0.02 A 48 ASN HD22 H 1 7.27 0.02 A 48 ASN C C 13 174 0.3 A 48 ASN CA C 13 53.6 0.3 A 48 ASN CB C 13 37.7 0.3 A 48 ASN N N 15 117.7 0.3 A 48 ASN ND2 N 15 116.6 0.3 A 49 ARG H H 1 8.53 0.02 A 49 ARG HA H 1 4.35 0.02 A 49 ARG HBy H 1 2.28 0.02 A 49 ARG HBx H 1 1.22 0.02 A 49 ARG HDy H 1 2.97 0.02 A 49 ARG HDx H 1 2.88 0.02 A 49 ARG HGy H 1 1.47 0.02 A 49 ARG HGx H 1 1.4 0.02 A 49 ARG C C 13 177.5 0.3 A 49 ARG CA C 13 55.6 0.3 A 49 ARG CB C 13 31.6 0.3 A 49 ARG CD C 13 44.1 0.3 A 49 ARG CG C 13 27.5 0.3 A 49 ARG N N 15 116.8 0.3 A 50 GLY H H 1 8.9 0.02 A 50 GLY HAy H 1 4.29 0.02 A 50 GLY HAx H 1 3.8 0.02 A 50 GLY C C 13 173.5 0.3 A 50 GLY CA C 13 45.8 0.3 A 50 GLY N N 15 108.3 0.3 A 51 PHE H H 1 6.91 0.02 A 51 PHE HA H 1 5.47 0.02 A 51 PHE HBy H 1 2.87 0.02 A 51 PHE HBx H 1 2.46 0.02 A 51 PHE HD1 H 1 6.62 0.02 A 51 PHE HE1 H 1 7.23 0.02 A 51 PHE C C 13 172 0.3 A 51 PHE CA C 13 55 0.3 A 51 PHE CB C 13 42.7 0.3 A 51 PHE CD2 C 13 132.7 0.3 A 51 PHE CE1 C 13 131.4 0.3 A 51 PHE N N 15 113.9 0.3 A 52 ALA H H 1 8.81 0.02 A 52 ALA HA H 1 4.63 0.02 A 52 ALA HB% H 1 0.88 0.02 A 52 ALA C C 13 173.9 0.3 A 52 ALA CA C 13 50.2 0.3 A 52 ALA CB C 13 25.1 0.3 A 52 ALA N N 15 120.5 0.3 A 53 PHE H H 1 8.73 0.02 A 53 PHE HA H 1 5.66 0.02 A 53 PHE HBy H 1 2.84 0.02 A 53 PHE HBx H 1 2.78 0.02 A 53 PHE HD2 H 1 7.13 0.02 A 53 PHE HE2 H 1 7.46 0.02 A 53 PHE C C 13 175.6 0.3 A 53 PHE CA C 13 56.2 0.3 A 53 PHE CB C 13 42.4 0.3 A 53 PHE CD1 C 13 131.9 0.3 A 53 PHE CE2 C 13 131.6 0.3 A 53 PHE N N 15 115 0.3 A 54 VAL H H 1 9.06 0.02 A 54 VAL HA H 1 4.1 0.02 A 54 VAL HB H 1 1.41 0.02 A 54 VAL HG1% H 1 0.19 0.02 A 54 VAL HG2% H 1 -0.04 0.02 A 54 VAL C C 13 173 0.3 A 54 VAL CA C 13 61.7 0.3 A 54 VAL CB C 13 34.4 0.3 A 54 VAL CG1 C 13 21.1 0.3 A 54 VAL CG2 C 13 19.4 0.3 A 54 VAL N N 15 122.3 0.3 A 55 GLU H H 1 8.86 0.02 A 55 GLU HA H 1 5.16 0.02 A 55 GLU HBy H 1 2 0.02 A 55 GLU HBx H 1 1.76 0.02 A 55 GLU HGy H 1 2.14 0.02 A 55 GLU HGx H 1 1.99 0.02 A 55 GLU C C 13 175.9 0.3 A 55 GLU CA C 13 54 0.3 A 55 GLU CB C 13 31.7 0.3 A 55 GLU CG C 13 35.4 0.3 A 55 GLU N N 15 127.3 0.3 A 56 TYR H H 1 9.47 0.02 A 56 TYR HA H 1 4.52 0.02 A 56 TYR HBy H 1 3.58 0.02 A 56 TYR HBx H 1 2.59 0.02 A 56 TYR HD1 H 1 6.97 0.02 A 56 TYR HE1 H 1 6.45 0.02 A 56 TYR C C 13 175 0.3 A 56 TYR CA C 13 59.7 0.3 A 56 TYR CB C 13 40.2 0.3 A 56 TYR CD2 C 13 132.6 0.3 A 56 TYR CE1 C 13 118 0.3 A 56 TYR N N 15 127.5 0.3 A 57 VAL H H 1 7.8 0.02 A 57 VAL HA H 1 3.57 0.02 A 57 VAL HB H 1 2.17 0.02 A 57 VAL HG1% H 1 0.97 0.02 A 57 VAL HG2% H 1 0.81 0.02 A 57 VAL C C 13 177 0.3 A 57 VAL CA C 13 66.3 0.3 A 57 VAL CB C 13 32 0.3 A 57 VAL CG1 C 13 21.5 0.3 A 57 VAL CG2 C 13 22.9 0.3 A 57 VAL N N 15 119.2 0.3 A 58 GLU H H 1 9.53 0.02 A 58 GLU HA H 1 4.78 0.02 A 58 GLU HBy H 1 2.08 0.02 A 58 GLU HBx H 1 1.84 0.02 A 58 GLU HGy H 1 2.37 0.02 A 58 GLU HGx H 1 2.26 0.02 A 58 GLU C C 13 177.5 0.3 A 58 GLU CA C 13 53.8 0.3 A 58 GLU CB C 13 30.5 0.3 A 58 GLU CG C 13 35 0.3 A 58 GLU N N 15 118.5 0.3 A 59 VAL H H 1 8.65 0.02 A 59 VAL HA H 1 3.53 0.02 A 59 VAL HB H 1 1.98 0.02 A 59 VAL HG1% H 1 0.91 0.02 A 59 VAL HG2% H 1 0.78 0.02 A 59 VAL C C 13 177.6 0.3 A 59 VAL CA C 13 66.1 0.3 A 59 VAL CB C 13 31.7 0.3 A 59 VAL CG1 C 13 22.3 0.3 A 59 VAL CG2 C 13 20.9 0.3 A 59 VAL N N 15 125.2 0.3 A 60 ASP H H 1 8.97 0.02 A 60 ASP HA H 1 4.22 0.02 A 60 ASP HBy H 1 2.54 0.02 A 60 ASP HBx H 1 2.46 0.02 A 60 ASP C C 13 178.3 0.3 A 60 ASP CA C 13 57.6 0.3 A 60 ASP CB C 13 40.5 0.3 A 60 ASP N N 15 118.5 0.3 A 61 ASP H H 1 6.92 0.02 A 61 ASP HA H 1 4.36 0.02 A 61 ASP HBy H 1 2.75 0.02 A 61 ASP HBx H 1 2.38 0.02 A 61 ASP C C 13 176.8 0.3 A 61 ASP CA C 13 56.9 0.3 A 61 ASP CB C 13 39.8 0.3 A 61 ASP N N 15 119.9 0.3 A 62 ALA H H 1 6.91 0.02 A 62 ALA HA H 1 3.38 0.02 A 62 ALA HB% H 1 1.62 0.02 A 62 ALA C C 13 171.6 0.3 A 62 ALA CA C 13 55.1 0.3 A 62 ALA CB C 13 18.2 0.3 A 62 ALA N N 15 122.7 0.3 A 63 LYS H H 1 8.02 0.02 A 63 LYS HA H 1 4.19 0.02 A 63 LYS HB3 H 1 1.75 0.02 A 63 LYS HD2 H 1 1.58 0.02 A 63 LYS HE2 H 1 2.76 0.02 A 63 LYS HG2 H 1 1.39 0.02 A 63 LYS C C 13 179.2 0.3 A 63 LYS CA C 13 59.3 0.3 A 63 LYS CB C 13 32.6 0.3 A 63 LYS CD C 13 29.9 0.3 A 63 LYS CE C 13 41.8 0.3 A 63 LYS CG C 13 24.7 0.3 A 63 LYS N N 15 116.2 0.3 A 64 HIS H H 1 7.46 0.02 A 64 HIS HA H 1 4.31 0.02 A 64 HIS HBy H 1 3.36 0.02 A 64 HIS HBx H 1 3.32 0.02 A 64 HIS HD2 H 1 7.3 0.02 A 64 HIS CA C 13 58 0.3 A 64 HIS CB C 13 29.1 0.3 A 64 HIS CD2 C 13 120 0.3 A 64 HIS N N 15 117.4 0.3 A 65 ALA H H 1 8.19 0.02 A 65 ALA HA H 1 2.17 0.02 A 65 ALA HB% H 1 1.12 0.02 A 65 ALA C C 13 178.7 0.3 A 65 ALA CA C 13 54.8 0.3 A 65 ALA CB C 13 19.4 0.3 A 65 ALA N N 15 123.7 0.3 A 66 LEU H H 1 8.34 0.02 A 66 LEU HA H 1 3.43 0.02 A 66 LEU HBy H 1 1.6 0.02 A 66 LEU HBx H 1 1.29 0.02 A 66 LEU HD1% H 1 0.44 0.02 A 66 LEU HD2% H 1 0.11 0.02 A 66 LEU HG H 1 1.22 0.02 A 66 LEU C C 13 178.7 0.3 A 66 LEU CA C 13 59.7 0.3 A 66 LEU CB C 13 41.1 0.3 A 66 LEU CD1 C 13 24.9 0.3 A 66 LEU CD2 C 13 25.9 0.3 A 66 LEU CG C 13 27.1 0.3 A 66 LEU N N 15 119.8 0.3 A 67 TYR H H 1 7.76 0.02 A 67 TYR HA H 1 4.01 0.02 A 67 TYR HBy H 1 2.97 0.02 A 67 TYR HBx H 1 2.87 0.02 A 67 TYR HD1 H 1 7.02 0.02 A 67 TYR HE1 H 1 6.75 0.02 A 67 TYR C C 13 177.7 0.3 A 67 TYR CA C 13 60.5 0.3 A 67 TYR CB C 13 38.1 0.3 A 67 TYR CD2 C 13 133.3 0.3 A 67 TYR CE1 C 13 118 0.3 A 67 TYR N N 15 116.2 0.3 A 68 ASN H H 1 7.48 0.02 A 68 ASN HA H 1 4.43 0.02 A 68 ASN HBy H 1 2.48 0.02 A 68 ASN HBx H 1 2.19 0.02 A 68 ASN HD21 H 1 7.59 0.02 A 68 ASN HD22 H 1 6.91 0.02 A 68 ASN C C 13 176.4 0.3 A 68 ASN CA C 13 55.6 0.3 A 68 ASN CB C 13 41.4 0.3 A 68 ASN N N 15 113.9 0.3 A 68 ASN ND2 N 15 112.8 0.3 A 69 MET H H 1 8.31 0.02 A 69 MET HA H 1 4.76 0.02 A 69 MET HB2 H 1 1.67 0.02 A 69 MET HG2 H 1 1.78 0.02 A 69 MET C C 13 177 0.3 A 69 MET CA C 13 53.5 0.3 A 69 MET CB C 13 31.1 0.3 A 69 MET CG C 13 32.6 0.3 A 69 MET N N 15 114.9 0.3 A 70 ASN H H 1 7.66 0.02 A 70 ASN HA H 1 4.37 0.02 A 70 ASN HB2 H 1 2.76 0.02 A 70 ASN HD21 H 1 7.62 0.02 A 70 ASN HD22 H 1 6.86 0.02 A 70 ASN C C 13 176.4 0.3 A 70 ASN CA C 13 56.1 0.3 A 70 ASN CB C 13 38.7 0.3 A 70 ASN N N 15 117.7 0.3 A 70 ASN ND2 N 15 113.5 0.3 A 71 ASN H H 1 8.6 0.02 A 71 ASN HA H 1 4.51 0.02 A 71 ASN HBy H 1 2.82 0.02 A 71 ASN HBx H 1 2.77 0.02 A 71 ASN HD21 H 1 7.8 0.02 A 71 ASN HD22 H 1 7.01 0.02 A 71 ASN C C 13 173.3 0.3 A 71 ASN CA C 13 55.8 0.3 A 71 ASN CB C 13 38.2 0.3 A 71 ASN N N 15 121.5 0.3 A 71 ASN ND2 N 15 114.5 0.3 A 72 PHE H H 1 7.87 0.02 A 72 PHE HA H 1 4.19 0.02 A 72 PHE HBy H 1 3.12 0.02 A 72 PHE HBx H 1 2.8 0.02 A 72 PHE HD2 H 1 7.17 0.02 A 72 PHE HE2 H 1 7.2 0.02 A 72 PHE C C 13 174.1 0.3 A 72 PHE CA C 13 58.7 0.3 A 72 PHE CB C 13 41.3 0.3 A 72 PHE CD1 C 13 131.3 0.3 A 72 PHE CE2 C 13 129.5 0.3 A 72 PHE N N 15 122.3 0.3 A 73 GLU H H 1 7.69 0.02 A 73 GLU HA H 1 4.23 0.02 A 73 GLU HBy H 1 1.55 0.02 A 73 GLU HBx H 1 1.44 0.02 A 73 GLU HGy H 1 1.74 0.02 A 73 GLU HGx H 1 1.62 0.02 A 73 GLU C C 13 173 0.3 A 73 GLU CA C 13 55.6 0.3 A 73 GLU CB C 13 30.3 0.3 A 73 GLU CG C 13 36.9 0.3 A 73 GLU N N 15 126.1 0.3 A 74 LEU H H 1 8.62 0.02 A 74 LEU HA H 1 4.52 0.02 A 74 LEU HBy H 1 1.87 0.02 A 74 LEU HBx H 1 1.25 0.02 A 74 LEU HD2% H 1 0.83 0.02 A 74 LEU C C 13 175.5 0.3 A 74 LEU CA C 13 53.3 0.3 A 74 LEU CB C 13 44.6 0.3 A 74 LEU CD1 C 13 25.6 0.3 A 74 LEU CD2 C 13 25.6 0.3 A 74 LEU CG C 13 27 0.3 A 74 LEU N N 15 128.9 0.3 A 75 ASN H H 1 9.52 0.02 A 75 ASN HA H 1 4.21 0.02 A 75 ASN HBy H 1 2.99 0.02 A 75 ASN HBx H 1 2.64 0.02 A 75 ASN HD21 H 1 8.1 0.02 A 75 ASN HD22 H 1 6.71 0.02 A 75 ASN C C 13 175.6 0.3 A 75 ASN CA C 13 53.9 0.3 A 75 ASN CB C 13 36.9 0.3 A 75 ASN N N 15 126.8 0.3 A 75 ASN ND2 N 15 112.7 0.3 A 76 GLY H H 1 8.5 0.02 A 76 GLY HAy H 1 4.01 0.02 A 76 GLY HAx H 1 3.5 0.02 A 76 GLY C C 13 173.6 0.3 A 76 GLY CA C 13 45.3 0.3 A 76 GLY N N 15 102.3 0.3 A 77 LYS H H 1 7.58 0.02 A 77 LYS HA H 1 4.57 0.02 A 77 LYS HBy H 1 1.88 0.02 A 77 LYS HBx H 1 1.73 0.02 A 77 LYS HD2 H 1 1.61 0.02 A 77 LYS HE2 H 1 2.96 0.02 A 77 LYS HG2 H 1 1.37 0.02 A 77 LYS C C 13 175.1 0.3 A 77 LYS CA C 13 54.2 0.3 A 77 LYS CB C 13 34.5 0.3 A 77 LYS CD C 13 28.5 0.3 A 77 LYS CE C 13 42.3 0.3 A 77 LYS CG C 13 24.7 0.3 A 77 LYS N N 15 120.8 0.3 A 78 ARG H H 1 8.58 0.02 A 78 ARG HA H 1 4.48 0.02 A 78 ARG HBy H 1 1.65 0.02 A 78 ARG HBx H 1 1.43 0.02 A 78 ARG HD2 H 1 3.01 0.02 A 78 ARG HG2 H 1 1.63 0.02 A 78 ARG C C 13 176.6 0.3 A 78 ARG CA C 13 55.3 0.3 A 78 ARG CB C 13 30.3 0.3 A 78 ARG CD C 13 43.2 0.3 A 78 ARG CG C 13 26.4 0.3 A 78 ARG N N 15 123.3 0.3 A 79 ILE H H 1 8.45 0.02 A 79 ILE HA H 1 4.7 0.02 A 79 ILE HB H 1 1.89 0.02 A 79 ILE HD1% H 1 0.73 0.02 A 79 ILE HG13 H 1 1.65 0.02 A 79 ILE HG2% H 1 0.79 0.02 A 79 ILE C C 13 175.2 0.3 A 79 ILE CA C 13 60 0.3 A 79 ILE CB C 13 39.4 0.3 A 79 ILE CD1 C 13 13.5 0.3 A 79 ILE CG1 C 13 25.3 0.3 A 79 ILE CG2 C 13 18.8 0.3 A 79 ILE N N 15 120.1 0.3 A 80 HIS H H 1 8.58 0.02 A 80 HIS HA H 1 5.19 0.02 A 80 HIS HBy H 1 3.1 0.02 A 80 HIS HBx H 1 3 0.02 A 80 HIS HD2 H 1 7.04 0.02 A 80 HIS C C 13 173.6 0.3 A 80 HIS CA C 13 53.8 0.3 A 80 HIS CB C 13 31.3 0.3 A 80 HIS CD2 C 13 121 0.3 A 80 HIS N N 15 119.9 0.3 A 81 VAL H H 1 8.65 0.02 A 81 VAL HA H 1 5.28 0.02 A 81 VAL HB H 1 1.66 0.02 A 81 VAL HG1% H 1 0.83 0.02 A 81 VAL HG2% H 1 0.88 0.02 A 81 VAL C C 13 173.6 0.3 A 81 VAL CA C 13 60.2 0.3 A 81 VAL CB C 13 35 0.3 A 81 VAL CG1 C 13 24 0.3 A 81 VAL CG2 C 13 22.4 0.3 A 81 VAL N N 15 123.8 0.3 A 82 ASN H H 1 8.89 0.02 A 82 ASN HA H 1 4.75 0.02 A 82 ASN HBy H 1 2.75 0.02 A 82 ASN HBx H 1 2.67 0.02 A 82 ASN HD21 H 1 7.79 0.02 A 82 ASN HD22 H 1 7.02 0.02 A 82 ASN C C 13 174 0.3 A 82 ASN CA C 13 51.9 0.3 A 82 ASN CB C 13 42.9 0.3 A 82 ASN N N 15 121.1 0.3 A 82 ASN ND2 N 15 115 0.3 A 83 TYR H H 1 8.48 0.02 A 83 TYR HA H 1 4.8 0.02 A 83 TYR HBy H 1 3.34 0.02 A 83 TYR HBx H 1 2.63 0.02 A 83 TYR HD1 H 1 7.09 0.02 A 83 TYR HE1 H 1 6.67 0.02 A 83 TYR C C 13 177.1 0.3 A 83 TYR CA C 13 59.4 0.3 A 83 TYR CB C 13 38.7 0.3 A 83 TYR CD2 C 13 133.2 0.3 A 83 TYR CE1 C 13 118.7 0.3 A 83 TYR N N 15 120.4 0.3 A 84 SER H H 1 9.04 0.02 A 84 SER HA H 1 4.52 0.02 A 84 SER HB2 H 1 3.8 0.02 A 84 SER C C 13 174.1 0.3 A 84 SER CA C 13 57.7 0.3 A 84 SER CB C 13 64.3 0.3 A 84 SER N N 15 118 0.3 A 85 LYS H H 1 8.41 0.02 A 85 LYS HA H 1 4.44 0.02 A 85 LYS HBx H 1 1.66 0.02 A 85 LYS HBy H 1 1.81 0.02 A 85 LYS HD2 H 1 1.58 0.02 A 85 LYS HE2 H 1 2.87 0.02 A 85 LYS HG2 H 1 1.35 0.02 A 85 LYS C C 13 175.6 0.3 A 85 LYS CA C 13 56.3 0.3 A 85 LYS CB C 13 33.7 0.3 A 85 LYS CD C 13 29.1 0.3 A 85 LYS CE C 13 41.9 0.3 A 85 LYS CG C 13 24.5 0.3 A 85 LYS N N 15 125.3 0.3 A 86 THR H H 1 7.85 0.02 A 86 THR HA H 1 4.02 0.02 A 86 THR HB H 1 4.11 0.02 A 86 THR HG2% H 1 1.03 0.02 A 86 THR CA C 13 63.2 0.3 A 86 THR CB C 13 70.6 0.3 A 86 THR CG2 C 13 22.1 0.3 A 86 THR N N 15 120.5 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 86 THR H A 86 THR HB 1.0 3.47 4.23 2 2 A 86 THR HB A 86 THR HA 1.0 2.53 3.09 3 3 A 45 THR HB A 46 LYS H 1.0 4.39 5.37 4 4 A 45 THR HB A 45 THR H 1.0 3.45 4.21 5 5 A 18 THR HB A 19 ILE H 1.0 4.03 4.93 6 6 A 42 ASN HD22 A 44 THR HB 1.0 4.32 5.28 7 7 A 44 THR HB A 47 LYS HG2 1.0 4.30 5.26 8 7 A 44 THR HB A 47 LYS HGy 1.0 4.30 5.26 9 8 A 46 LYS H A 44 THR HB 1.0 4.27 5.21 10 9 A 44 THR HB A 44 THR H 1.0 3.01 3.69 11 10 A 45 THR H A 44 THR HB 1.0 3.11 3.81 12 11 A 44 THR HB A 42 ASN HD21 1.0 4.64 5.68 13 12 A 35 ARG H A 57 VAL HA 1.0 4.53 5.53 14 13 A 57 VAL HA A 35 ARG HD2 1.0 4.05 4.95 15 13 A 57 VAL HA A 35 ARG HDy 1.0 4.05 4.95 16 14 A 57 VAL HA A 35 ARG HG2 1.0 4.33 5.29 17 14 A 57 VAL HA A 35 ARG HGy 1.0 4.33 5.29 18 15 A 57 VAL HA A 57 VAL HG2% 1.0 3.07 3.75 19 16 A 59 VAL HA A 62 ALA H 1.0 3.67 4.49 20 17 A 59 VAL HA A 58 GLU HA 1.0 4.45 5.43 21 18 A 44 THR HA A 44 THR HG2% 1.0 3.01 3.69 22 19 A 84 SER H A 84 SER HB2 1.0 3.40 4.16 23 19 A 84 SER H A 84 SER HBy 1.0 3.40 4.16 24 20 A 85 LYS H A 84 SER HB2 1.0 3.73 4.57 25 20 A 84 SER HBy A 85 LYS H 1.0 3.73 4.57 26 21 A 53 PHE HD% A 84 SER HB2 1.0 4.12 5.04 27 21 A 84 SER HBy A 53 PHE HD% 1.0 4.12 5.04 28 22 A 11 PHE H A 84 SER HB2 1.0 4.19 5.13 29 22 A 84 SER HBy A 11 PHE H 1.0 4.19 5.13 30 23 A 11 PHE HB3 A 84 SER HB2 1.0 3.40 4.16 31 23 A 11 PHE HBx A 84 SER HB2 1.0 3.40 4.16 32 23 A 84 SER HBy A 11 PHE HBx 1.0 3.40 4.16 33 23 A 84 SER HBy A 11 PHE HB3 1.0 3.40 4.16 34 24 A 40 PRO HA A 41 LEU H 1.0 2.51 3.07 35 25 A 86 THR HA A 86 THR HG2% 1.0 3.22 3.94 36 26 A 86 THR HA A 9 ILE HD1% 1.0 4.71 5.75 37 27 A 27 ILE HA A 27 ILE HG1x 1.0 3.55 4.35 38 27 A 27 ILE HA A 27 ILE HG13 1.0 3.55 4.35 39 28 A 27 ILE HA A 27 ILE HD1% 1.0 4.18 5.12 40 29 A 25 TYR HA A 28 PHE H 1.0 4.18 5.10 41 30 A 25 TYR HA A 25 TYR HD% 1.0 3.66 4.48 42 31 A 25 TYR HA A 37 ILE HG1x 1.0 4.80 5.86 43 31 A 25 TYR HA A 37 ILE HG13 1.0 4.80 5.86 44 32 A 25 TYR HA A 28 PHE HBx 1.0 4.58 5.60 45 33 A 23 SER H A 23 SER HBy 1.0 3.24 3.96 46 34 A 23 SER HBy A 22 LYS HD2 1.0 4.19 5.13 47 34 A 23 SER HBy A 22 LYS HDy 1.0 4.19 5.13 48 35 A 23 SER HBx A 22 LYS HD2 1.0 4.28 5.22 49 35 A 22 LYS HDy A 23 SER HBx 1.0 4.28 5.22 50 36 A 23 SER H A 23 SER HBx 1.0 3.28 4.02 51 37 A 23 SER HBx A 20 ASP H 1.0 3.35 4.09 52 38 A 23 SER HBx A 19 ILE HG2% 1.0 3.74 4.58 53 39 A 23 SER HBx A 22 LYS HBx 1.0 4.54 5.56 54 39 A 23 SER HBx A 22 LYS HB3 1.0 4.54 5.56 55 40 A 18 THR HA A 18 THR HG2% 1.0 2.92 3.58 56 41 A 29 SER HBy A 34 ILE HG1y 1.0 4.54 5.54 57 42 A 29 SER H A 29 SER HBx 1.0 3.60 4.40 58 43 A 30 SER H A 30 SER HBy 1.0 3.21 3.93 59 44 A 30 SER HBy A 31 PHE H 1.0 3.81 4.65 60 45 A 30 SER H A 30 SER HBx 1.0 3.16 3.86 61 46 A 31 PHE H A 30 SER HBx 1.0 3.69 4.51 62 47 A 29 SER HBy A 34 ILE HG1x 1.0 4.85 5.93 63 48 A 29 SER HBy A 34 ILE HD1% 1.0 4.27 5.21 64 49 A 23 SER HA A 26 ASP HBy 1.0 3.63 4.43 65 50 A 23 SER HA A 26 ASP HBx 1.0 3.92 4.80 66 51 A 23 SER HA A 26 ASP H 1.0 3.82 4.68 67 52 A 45 THR HA A 47 LYS HG2 1.0 4.28 5.22 68 52 A 47 LYS HGy A 45 THR HA 1.0 4.28 5.22 69 53 A 45 THR HA A 45 THR HG2% 1.0 2.95 3.61 70 54 A 44 THR HG2% A 45 THR HA 1.0 3.99 4.87 71 55 A 34 ILE HG2% A 54 VAL HA 1.0 4.73 5.79 72 56 A 54 VAL HA A 55 GLU H 1.0 2.76 3.38 73 57 A 29 SER HA A 32 GLY H 1.0 3.36 4.10 74 58 A 34 ILE HG1x A 29 SER HA 1.0 4.01 4.91 75 59 A 29 SER HA A 56 TYR HE% 1.0 4.68 5.72 76 60 A 21 GLU HA A 25 TYR H 1.0 4.06 4.96 77 61 A 21 GLU HA A 24 LEU H 1.0 3.85 4.71 78 62 A 21 GLU HA A 37 ILE HG2% 1.0 3.27 3.99 79 63 A 21 GLU HA A 39 VAL HG11 1.0 3.37 4.13 80 63 A 21 GLU HA A 39 VAL HG2% 1.0 3.37 4.13 81 64 A 21 GLU HA A 24 LEU HD1% 1.0 3.67 4.49 82 65 A 21 GLU HA A 21 GLU HGx 1.0 3.37 4.11 83 66 A 12 VAL HA A 13 GLY H 1.0 2.84 3.48 84 67 A 15 ILE HA A 16 ASP HA 1.0 4.26 5.20 85 68 A 15 ILE HA A 16 ASP H 1.0 2.70 3.30 86 69 A 66 LEU HG A 67 TYR HA 1.0 4.07 4.97 87 70 A 67 TYR HA A 66 LEU HD1% 1.0 3.73 4.55 88 71 A 81 VAL HA A 82 ASN H 1.0 2.79 3.41 89 72 A 81 VAL HA A 82 ASN HA 1.0 4.72 5.76 90 73 A 81 VAL HA A 81 VAL HG2% 1.0 3.28 4.02 91 74 A 13 GLY H A 81 VAL HA 1.0 4.24 5.18 92 75 A 9 ILE HA A 9 ILE HG1y 1.0 2.95 3.61 93 76 A 18 THR HA A 19 ILE HA 1.0 4.17 5.09 94 77 A 35 ARG H A 34 ILE HA 1.0 2.92 3.56 95 78 A 34 ILE HA A 36 ASN H 1.0 3.81 4.65 96 79 A 34 ILE HG1y A 34 ILE HA 1.0 3.65 4.47 97 80 A 7 THR HA A 8 ASP H 1.0 2.85 3.49 98 81 A 7 THR HA A 9 ILE H 1.0 3.91 4.77 99 82 A 20 ASP H A 19 ILE HA 1.0 2.62 3.20 100 83 A 19 ILE HA A 19 ILE HD1% 1.0 3.10 3.78 101 84 A 84 SER H A 83 TYR HA 1.0 3.20 3.90 102 85 A 35 ARG H A 56 TYR HA 1.0 3.38 4.14 103 86 A 56 TYR HA A 57 VAL H 1.0 3.13 3.83 104 87 A 65 ALA HB% A 66 LEU HA 1.0 3.65 4.47 105 88 A 66 LEU HA A 10 LEU HD2% 1.0 4.81 5.87 106 89 A 63 LYS HA A 63 LYS HD2 1.0 3.27 3.99 107 89 A 63 LYS HA A 63 LYS HDy 1.0 3.27 3.99 108 90 A 66 LEU HD1% A 63 LYS HA 1.0 4.44 5.42 109 91 A 25 TYR H A 22 LYS HA 1.0 3.64 4.44 110 92 A 22 LYS HA A 25 TYR HBx 1.0 3.45 4.21 111 93 A 63 LYS HA A 66 LEU H 1.0 4.31 5.27 112 94 A 18 THR HG2% A 17 GLU HA 1.0 4.50 5.50 113 95 A 72 PHE HA A 73 GLU H 1.0 2.63 3.21 114 96 A 17 GLU HA A 48 ASN HD21 1.0 3.37 4.11 115 97 A 19 ILE H A 17 GLU HA 1.0 3.65 4.47 116 98 A 17 GLU HA A 17 GLU HGy 1.0 3.57 4.37 117 99 A 17 GLU HA A 17 GLU HGx 1.0 3.57 4.37 118 100 A 17 GLU HA A 17 GLU HB2 1.0 2.63 3.21 119 100 A 17 GLU HA A 17 GLU HBy 1.0 2.63 3.21 120 101 A 17 GLU HA A 47 LYS HA 1.0 4.45 5.43 121 102 A 64 HIS HA A 67 TYR H 1.0 4.15 5.07 122 103 A 25 TYR HD% A 26 ASP HA 1.0 3.67 4.49 123 104 A 29 SER H A 26 ASP HA 1.0 4.27 5.21 124 105 A 85 LYS H A 84 SER HA 1.0 2.78 3.40 125 106 A 59 VAL HG1% A 60 ASP HA 1.0 4.91 6.01 126 107 A 46 LYS HA A 47 LYS H 1.0 3.20 3.90 127 108 A 47 LYS HA A 46 LYS HA 1.0 4.02 4.92 128 109 A 46 LYS HA A 42 ASN HBy 1.0 4.37 5.33 129 110 A 46 LYS HA A 47 LYS HD2 1.0 3.73 4.57 130 110 A 46 LYS HA A 47 LYS HDy 1.0 3.73 4.57 131 111 A 60 ASP HA A 63 LYS H 1.0 3.67 4.49 132 112 A 60 ASP HA A 63 LYS HD2 1.0 3.11 3.79 133 112 A 63 LYS HDy A 60 ASP HA 1.0 3.11 3.79 134 113 A 24 LEU HA A 28 PHE HE% 1.0 3.91 4.79 135 114 A 24 LEU HD1% A 24 LEU HA 1.0 4.09 4.99 136 115 A 35 ARG HA A 35 ARG HG2 1.0 2.89 3.53 137 115 A 35 ARG HGy A 35 ARG HA 1.0 2.89 3.53 138 116 A 46 LYS HA A 46 LYS HD2 1.0 3.71 4.53 139 116 A 46 LYS HA A 46 LYS HDy 1.0 3.71 4.53 140 117 A 46 LYS HA A 46 LYS HG2 1.0 3.52 4.30 141 117 A 46 LYS HA A 46 LYS HGy 1.0 3.52 4.30 142 118 A 46 LYS H A 43 MET HA 1.0 3.66 4.48 143 119 A 43 MET HA A 43 MET HBy 1.0 2.66 3.26 144 119 A 43 MET HA A 43 MET HBx 1.0 2.66 3.26 145 120 A 45 THR H A 43 MET HA 1.0 4.44 5.42 146 121 A 24 LEU HA A 27 ILE H 1.0 3.93 4.81 147 122 A 61 ASP HA A 64 HIS H 1.0 3.73 4.57 148 123 A 61 ASP HA A 64 HIS HBy 1.0 3.55 4.33 149 124 A 46 LYS HA A 43 MET HA 1.0 4.01 4.89 150 125 A 86 THR H A 85 LYS HA 1.0 2.66 3.26 151 126 A 12 VAL HG2% A 53 PHE HA 1.0 4.77 5.83 152 127 A 53 PHE HA A 10 LEU H 1.0 4.76 5.82 153 128 A 53 PHE HA A 54 VAL H 1.0 2.80 3.42 154 129 A 53 PHE HA A 38 GLU H 1.0 4.23 5.17 155 130 A 53 PHE HA A 12 VAL H 1.0 3.95 4.83 156 131 A 53 PHE HA A 11 PHE HA 1.0 3.47 4.25 157 132 A 53 PHE HA A 54 VAL HB 1.0 4.52 5.52 158 133 A 53 PHE HA A 52 ALA HB% 1.0 4.11 5.03 159 134 A 85 LYS HA A 85 LYS HG2 1.0 3.49 4.27 160 134 A 85 LYS HA A 85 LYS HGy 1.0 3.49 4.27 161 135 A 78 ARG HA A 79 ILE HG2% 1.0 4.29 5.25 162 136 A 78 ARG HA A 79 ILE H 1.0 2.77 3.39 163 137 A 78 ARG HA A 73 GLU HBy 1.0 3.37 4.11 164 138 A 33 ASP HA A 34 ILE H 1.0 2.47 3.03 165 139 A 78 ARG HA A 79 ILE HA 1.0 3.90 4.76 166 140 A 49 ARG HA A 51 PHE H 1.0 4.72 5.76 167 141 A 73 GLU HA A 74 LEU H 1.0 2.69 3.29 168 142 A 79 ILE H A 73 GLU HA 1.0 3.95 4.83 169 143 A 73 GLU HA A 77 LYS H 1.0 4.05 4.95 170 144 A 79 ILE HG2% A 73 GLU HA 1.0 4.66 5.70 171 145 A 51 PHE HA A 51 PHE HD% 1.0 4.04 4.94 172 146 A 51 PHE HA A 52 ALA H 1.0 3.02 3.70 173 147 A 51 PHE HA A 14 GLY H 1.0 4.19 5.13 174 148 A 66 LEU H A 62 ALA HA 1.0 4.63 5.67 175 149 A 62 ALA HA A 65 ALA H 1.0 3.87 4.73 176 150 A 62 ALA HA A 10 LEU HD1% 1.0 3.82 4.66 177 151 A 64 HIS H A 62 ALA HA 1.0 4.69 5.73 178 152 A 65 ALA HA A 68 ASN H 1.0 3.75 4.59 179 153 A 77 LYS HA A 78 ARG H 1.0 2.64 3.22 180 154 A 80 HIS HA A 81 VAL H 1.0 2.63 3.21 181 155 A 81 VAL HG2% A 80 HIS HA 1.0 3.97 4.85 182 156 A 9 ILE HG1x A 55 GLU HA 1.0 4.17 5.09 183 157 A 55 GLU HA A 56 TYR H 1.0 2.93 3.59 184 158 A 10 LEU H A 55 GLU HA 1.0 3.55 4.35 185 159 A 58 GLU HA A 59 VAL H 1.0 2.76 3.38 186 160 A 75 ASN H A 75 ASN HA 1.0 2.64 3.22 187 161 A 75 ASN HA A 76 GLY H 1.0 2.94 3.60 188 162 A 77 LYS H A 75 ASN HA 1.0 4.32 5.28 189 163 A 80 HIS HA A 70 ASN HA 1.0 3.65 4.47 190 164 A 16 ASP HA A 17 GLU H 1.0 2.58 3.16 191 165 A 9 ILE HA A 8 ASP HA 1.0 4.01 4.89 192 166 A 59 VAL HA A 8 ASP HA 1.0 3.17 3.87 193 167 A 15 ILE HD1% A 48 ASN HA 1.0 4.74 5.80 194 168 A 75 ASN H A 74 LEU HA 1.0 2.84 3.48 195 169 A 41 LEU HA A 42 ASN H 1.0 2.95 3.61 196 170 A 82 ASN H A 10 LEU HA 1.0 4.40 5.38 197 171 A 42 ASN HA A 43 MET H 1.0 3.17 3.87 198 172 A 5 ASN HA A 5 ASN HB2 1.0 2.67 3.27 199 172 A 5 ASN HA A 5 ASN HBy 1.0 2.67 3.27 200 173 A 48 ASN HA A 41 LEU HA 1.0 3.02 3.70 201 174 A 11 PHE H A 10 LEU HA 1.0 3.02 3.70 202 175 A 84 SER H A 10 LEU HA 1.0 3.89 4.75 203 176 A 9 ILE HA A 10 LEU HA 1.0 3.95 4.83 204 177 A 44 THR H A 42 ASN HA 1.0 4.03 4.93 205 178 A 6 ALA HA A 83 TYR HBy 1.0 4.28 5.22 206 179 A 6 ALA HA A 83 TYR HD% 1.0 4.16 5.08 207 180 A 6 ALA HA A 7 THR H 1.0 2.97 3.63 208 181 A 20 ASP HA A 21 GLU H 1.0 2.82 3.44 209 182 A 40 PRO HDy A 51 PHE HE% 1.0 4.91 6.01 210 183 A 51 PHE HE% A 40 PRO HDx 1.0 4.95 6.05 211 184 A 40 PRO HDy A 38 GLU HGx 1.0 4.22 5.16 212 185 A 53 PHE HD% A 40 PRO HDy 1.0 4.95 6.05 213 186 A 40 PRO HDx A 39 VAL H 1.0 4.93 6.03 214 187 A 40 PRO HDx A 53 PHE H 1.0 4.80 5.86 215 188 A 15 ILE HD1% A 14 GLY HAy 1.0 4.19 5.13 216 189 A 75 ASN HA A 76 GLY HAx 1.0 4.30 5.26 217 190 A 75 ASN H A 74 LEU HBy 1.0 4.57 5.59 218 191 A 49 ARG HBy A 49 ARG HDx 1.0 3.44 4.20 219 192 A 74 LEU H A 74 LEU HBy 1.0 3.52 4.30 220 193 A 73 GLU HA A 74 LEU HBy 1.0 4.35 5.31 221 194 A 74 LEU HBy A 77 LYS HG2 1.0 4.18 5.12 222 194 A 74 LEU HBy A 77 LYS HGy 1.0 4.18 5.12 223 195 A 75 ASN H A 74 LEU HBx 1.0 4.50 5.50 224 196 A 74 LEU H A 74 LEU HBx 1.0 3.72 4.54 225 197 A 74 LEU HBx A 77 LYS HG2 1.0 4.21 5.15 226 197 A 77 LYS HGy A 74 LEU HBx 1.0 4.21 5.15 227 198 A 74 LEU HBx A 74 LEU HD2% 1.0 3.58 4.38 228 199 A 32 GLY HAx A 33 ASP H 1.0 3.06 3.74 229 200 A 56 TYR HE% A 32 GLY HAx 1.0 4.54 5.54 230 201 A 32 GLY HAx A 61 ASP HBx 1.0 4.27 5.21 231 202 A 33 ASP HA A 32 GLY HAx 1.0 4.60 5.62 232 203 A 32 GLY HAx A 61 ASP HBy 1.0 4.70 5.74 233 204 A 49 ARG HA A 49 ARG HDy 1.0 4.84 5.92 234 205 A 51 PHE HE% A 49 ARG HDy 1.0 4.27 5.21 235 206 A 51 PHE HE% A 49 ARG HDx 1.0 4.41 5.39 236 207 A 49 ARG HDx A 49 ARG H 1.0 4.28 5.22 237 208 A 40 PRO HA A 41 LEU HBy 1.0 4.12 5.04 238 209 A 42 ASN H A 41 LEU HBy 1.0 4.20 5.14 239 210 A 41 LEU H A 41 LEU HBy 1.0 3.32 4.06 240 211 A 46 LYS HA A 41 LEU HBy 1.0 4.12 5.04 241 212 A 42 ASN H A 41 LEU HBx 1.0 3.64 4.44 242 213 A 41 LEU H A 41 LEU HBx 1.0 3.69 4.51 243 214 A 47 LYS H A 41 LEU HBx 1.0 4.78 5.84 244 215 A 41 LEU HBx A 41 LEU HD1% 1.0 3.58 4.38 245 216 A 49 ARG HA A 49 ARG HDx 1.0 4.81 5.89 246 217 A 11 PHE HE% A 13 GLY HAy 1.0 4.11 5.03 247 217 A 11 PHE HE% A 13 GLY HAx 1.0 4.11 5.03 248 218 A 51 PHE HA A 13 GLY HAy 1.0 3.87 4.73 249 218 A 51 PHE HA A 13 GLY HAx 1.0 3.87 4.73 250 219 A 12 VAL HA A 13 GLY HAy 1.0 4.46 5.46 251 219 A 12 VAL HA A 13 GLY HAx 1.0 4.46 5.46 252 220 A 12 VAL HG1% A 13 GLY HAy 1.0 4.82 5.90 253 220 A 13 GLY HAx A 12 VAL HG1% 1.0 4.82 5.90 254 221 A 55 GLU HBy A 35 ARG HD2 1.0 4.82 5.90 255 221 A 35 ARG HDy A 55 GLU HBy 1.0 4.82 5.90 256 222 A 57 VAL HG1% A 35 ARG HD2 1.0 4.78 5.84 257 222 A 35 ARG HDy A 57 VAL HG1% 1.0 4.78 5.84 258 223 A 57 VAL HG2% A 35 ARG HD2 1.0 3.91 4.77 259 223 A 35 ARG HDy A 57 VAL HG2% 1.0 3.91 4.77 260 224 A 36 ASN H A 35 ARG HD2 1.0 4.43 5.41 261 224 A 35 ARG HDy A 36 ASN H 1.0 4.43 5.41 262 225 A 20 ASP HBy A 22 LYS H 1.0 4.18 5.12 263 226 A 78 ARG HBx A 78 ARG HD2 1.0 3.06 3.74 264 226 A 78 ARG HBx A 78 ARG HDy 1.0 3.06 3.74 265 227 A 11 PHE H A 10 LEU HBx 1.0 3.98 4.86 266 228 A 21 GLU H A 20 ASP HBy 1.0 2.97 3.63 267 229 A 82 ASN HBy A 83 TYR H 1.0 3.28 4.02 268 230 A 82 ASN HBy A 4 ASN HD21 1.0 3.84 4.70 269 231 A 82 ASN HBy A 4 ASN HD22 1.0 4.14 5.06 270 232 A 21 GLU H A 20 ASP HBx 1.0 3.08 3.76 271 233 A 83 TYR H A 82 ASN HBx 1.0 3.34 4.08 272 234 A 4 ASN HD22 A 82 ASN HBx 1.0 4.08 4.98 273 235 A 4 ASN HD21 A 82 ASN HBx 1.0 3.93 4.81 274 236 A 10 LEU HD2% A 10 LEU HBx 1.0 3.77 4.61 275 237 A 17 GLU H A 16 ASP HBy 1.0 3.05 3.73 276 238 A 11 PHE HE% A 51 PHE HBy 1.0 4.01 4.89 277 239 A 52 ALA H A 51 PHE HBy 1.0 3.88 4.74 278 240 A 82 ASN H A 82 ASN HBy 1.0 3.75 4.59 279 241 A 82 ASN H A 82 ASN HBx 1.0 3.76 4.60 280 242 A 22 LYS H A 20 ASP HBx 1.0 3.47 4.25 281 243 A 20 ASP H A 20 ASP HBx 1.0 3.16 3.86 282 244 A 36 ASN H A 36 ASN HBy 1.0 3.61 4.41 283 245 A 16 ASP H A 16 ASP HBx 1.0 3.16 3.86 284 246 A 15 ILE HA A 16 ASP HBx 1.0 4.38 5.36 285 247 A 11 PHE HE% A 51 PHE HBx 1.0 4.12 5.04 286 248 A 36 ASN HBx A 37 ILE H 1.0 3.65 4.47 287 249 A 36 ASN HBx A 55 GLU HBx 1.0 4.21 5.15 288 250 A 36 ASN HBx A 55 GLU HGy 1.0 4.29 5.25 289 251 A 55 GLU HBy A 36 ASN HBx 1.0 3.60 4.40 290 252 A 16 ASP H A 16 ASP HBy 1.0 3.31 4.05 291 253 A 77 LYS HEy A 77 LYS HG2 1.0 2.99 3.65 292 253 A 77 LYS HE2 A 77 LYS HG2 1.0 2.99 3.65 293 253 A 77 LYS HGy A 77 LYS HE2 1.0 2.99 3.65 294 253 A 77 LYS HGy A 77 LYS HEy 1.0 2.99 3.65 295 254 A 41 LEU HD1% A 46 LYS HE2 1.0 4.87 5.95 296 254 A 41 LEU HD1% A 46 LYS HEy 1.0 4.87 5.95 297 255 A 46 LYS HBx A 46 LYS HE2 1.0 3.32 4.06 298 255 A 46 LYS HEy A 46 LYS HBx 1.0 3.32 4.06 299 256 A 55 GLU H A 36 ASN HBx 1.0 4.44 5.42 300 257 A 77 LYS H A 77 LYS HE2 1.0 4.66 5.70 301 257 A 77 LYS H A 77 LYS HEy 1.0 4.66 5.70 302 258 A 21 GLU HBx A 22 LYS HE2 1.0 3.36 4.10 303 258 A 21 GLU HBx A 22 LYS HEy 1.0 3.36 4.10 304 259 A 85 LYS HE2 A 85 LYS HG2 1.0 3.14 3.84 305 259 A 85 LYS HEy A 85 LYS HG2 1.0 3.14 3.84 306 259 A 85 LYS HGy A 85 LYS HE2 1.0 3.14 3.84 307 259 A 85 LYS HGy A 85 LYS HEy 1.0 3.14 3.84 308 260 A 6 ALA HB% A 63 LYS HE2 1.0 4.30 5.26 309 260 A 6 ALA HB% A 63 LYS HEy 1.0 4.30 5.26 310 261 A 25 TYR H A 24 LEU HBy 1.0 3.85 4.71 311 262 A 24 LEU H A 24 LEU HBy 1.0 3.45 4.21 312 263 A 24 LEU HBy A 37 ILE HD1% 1.0 3.88 4.74 313 264 A 21 GLU HA A 24 LEU HBy 1.0 3.89 4.75 314 265 A 37 ILE HD1% A 24 LEU HBx 1.0 3.71 4.53 315 266 A 25 TYR H A 24 LEU HBx 1.0 4.08 4.98 316 267 A 24 LEU H A 24 LEU HBx 1.0 3.63 4.43 317 268 A 25 TYR HA A 24 LEU HBx 1.0 4.18 5.12 318 269 A 73 GLU H A 72 PHE HBy 1.0 4.17 5.09 319 270 A 72 PHE HBy A 72 PHE H 1.0 3.28 4.00 320 271 A 72 PHE H A 72 PHE HBx 1.0 3.44 4.20 321 272 A 3 ASP HBy A 4 ASN H 1.0 4.00 4.88 322 273 A 68 ASN HBy A 69 MET H 1.0 4.03 4.93 323 274 A 68 ASN H A 68 ASN HBy 1.0 3.35 4.09 324 275 A 69 MET H A 68 ASN HBx 1.0 3.95 4.83 325 276 A 68 ASN H A 68 ASN HBx 1.0 3.27 3.99 326 277 A 34 ILE HG2% A 37 ILE HB 1.0 3.91 4.79 327 278 A 38 GLU H A 37 ILE HB 1.0 4.00 4.88 328 279 A 37 ILE H A 37 ILE HB 1.0 3.20 3.92 329 280 A 37 ILE HB A 54 VAL HG1% 1.0 4.95 6.05 330 281 A 25 TYR HA A 37 ILE HB 1.0 4.54 5.56 331 282 A 72 PHE HBx A 69 MET HB2 1.0 4.25 5.19 332 282 A 72 PHE HBx A 69 MET HBy 1.0 4.25 5.19 333 283 A 65 ALA HB% A 66 LEU HBy 1.0 4.17 5.09 334 284 A 66 LEU H A 66 LEU HBy 1.0 3.50 4.28 335 285 A 67 TYR H A 66 LEU HBy 1.0 4.15 5.07 336 286 A 67 TYR H A 66 LEU HBx 1.0 4.27 5.21 337 287 A 63 LYS HA A 66 LEU HBx 1.0 4.50 5.50 338 288 A 65 ALA HB% A 66 LEU HBx 1.0 3.80 4.64 339 289 A 11 PHE H A 11 PHE HBx 1.0 3.29 4.03 340 289 A 11 PHE H A 11 PHE HB3 1.0 3.29 4.03 341 290 A 82 ASN H A 11 PHE HBx 1.0 4.15 5.07 342 290 A 11 PHE HB3 A 82 ASN H 1.0 4.15 5.07 343 291 A 10 LEU HA A 11 PHE HBx 1.0 4.46 5.44 344 291 A 11 PHE HB3 A 10 LEU HA 1.0 4.46 5.44 345 292 A 34 ILE H A 33 ASP HB2 1.0 3.62 4.42 346 292 A 34 ILE H A 33 ASP HBy 1.0 3.62 4.42 347 293 A 2 SER HA A 3 ASP HBx 1.0 4.46 5.46 348 294 A 33 ASP H A 33 ASP HB2 1.0 3.16 3.86 349 294 A 33 ASP H A 33 ASP HBy 1.0 3.16 3.86 350 295 A 56 TYR HBx A 62 ALA HB% 1.0 4.34 5.30 351 296 A 60 ASP HBy A 61 ASP H 1.0 3.85 4.71 352 297 A 60 ASP HBy A 60 ASP H 1.0 2.97 3.63 353 298 A 60 ASP H A 60 ASP HBx 1.0 2.90 3.54 354 299 A 61 ASP H A 60 ASP HBx 1.0 3.83 4.69 355 300 A 10 LEU H A 9 ILE HB 1.0 4.42 5.40 356 301 A 56 TYR HBy A 58 GLU H 1.0 4.06 4.96 357 302 A 57 VAL H A 56 TYR HBy 1.0 4.16 5.08 358 303 A 26 ASP HBx A 26 ASP H 1.0 3.20 3.92 359 304 A 56 TYR H A 56 TYR HBx 1.0 3.66 4.48 360 305 A 9 ILE H A 9 ILE HB 1.0 3.40 4.16 361 306 A 9 ILE HB A 84 SER HB2 1.0 3.67 4.49 362 306 A 84 SER HBy A 9 ILE HB 1.0 3.67 4.49 363 307 A 9 ILE HD1% A 9 ILE HB 1.0 3.47 4.25 364 308 A 9 ILE HB A 7 THR HG2% 1.0 4.20 5.14 365 309 A 26 ASP HBy A 27 ILE H 1.0 3.78 4.62 366 310 A 61 ASP HBy A 32 GLY HAy 1.0 3.64 4.44 367 311 A 26 ASP HBx A 27 ILE H 1.0 3.69 4.51 368 312 A 61 ASP HBx A 56 TYR HD% 1.0 4.62 5.64 369 313 A 34 ILE H A 34 ILE HB 1.0 2.94 3.60 370 314 A 25 TYR HD% A 34 ILE HB 1.0 4.23 5.17 371 315 A 34 ILE HB A 25 TYR HE% 1.0 3.55 4.35 372 316 A 35 ARG H A 34 ILE HB 1.0 4.44 5.42 373 317 A 59 VAL HA A 8 ASP HBy 1.0 3.84 4.70 374 318 A 62 ALA HB% A 8 ASP HBy 1.0 4.95 6.05 375 319 A 61 ASP HBy A 61 ASP H 1.0 3.30 4.04 376 320 A 8 ASP HBx A 59 VAL HG2% 1.0 4.69 5.73 377 321 A 61 ASP HBx A 61 ASP H 1.0 3.37 4.13 378 322 A 61 ASP HBx A 32 GLY HAy 1.0 3.55 4.33 379 323 A 31 PHE H A 31 PHE HBy 1.0 3.69 4.51 380 324 A 56 TYR HE% A 31 PHE HBx 1.0 4.27 5.21 381 325 A 79 ILE HB A 80 HIS H 1.0 3.24 3.96 382 326 A 42 ASN HBy A 42 ASN H 1.0 3.27 3.99 383 327 A 47 LYS H A 42 ASN HBy 1.0 3.48 4.26 384 328 A 32 GLY HAy A 31 PHE HBx 1.0 3.52 4.30 385 329 A 65 ALA HB% A 31 PHE HBx 1.0 3.97 4.85 386 330 A 47 LYS H A 42 ASN HBx 1.0 3.78 4.62 387 331 A 28 PHE H A 27 ILE HB 1.0 3.36 4.10 388 332 A 28 PHE HE% A 27 ILE HB 1.0 3.90 4.76 389 333 A 27 ILE H A 27 ILE HB 1.0 3.07 3.75 390 334 A 6 ALA H A 4 ASN HB2 1.0 2.99 3.65 391 334 A 4 ASN HBy A 6 ALA H 1.0 2.99 3.65 392 335 A 42 ASN H A 42 ASN HBx 1.0 3.28 4.02 393 336 A 84 SER H A 83 TYR HBy 1.0 4.08 4.98 394 337 A 83 TYR HBy A 83 TYR H 1.0 3.66 4.48 395 338 A 83 TYR HBy A 4 ASN HD22 1.0 4.94 6.04 396 339 A 83 TYR H A 83 TYR HBx 1.0 3.49 4.27 397 340 A 84 SER H A 83 TYR HBx 1.0 4.32 5.28 398 341 A 25 TYR H A 25 TYR HBy 1.0 3.26 3.98 399 342 A 25 TYR H A 25 TYR HBx 1.0 3.21 3.93 400 343 A 71 ASN HBy A 71 ASN HD21 1.0 3.61 4.41 401 344 A 70 ASN H A 70 ASN HB2 1.0 3.11 3.79 402 344 A 70 ASN H A 70 ASN HBy 1.0 3.11 3.79 403 345 A 26 ASP H A 25 TYR HBx 1.0 3.74 4.58 404 346 A 67 TYR H A 67 TYR HBy 1.0 3.20 3.90 405 347 A 68 ASN H A 67 TYR HBy 1.0 3.56 4.36 406 348 A 48 ASN H A 48 ASN HBx 1.0 3.50 4.28 407 349 A 49 ARG H A 48 ASN HBx 1.0 3.82 4.66 408 350 A 28 PHE HBx A 29 SER H 1.0 4.55 5.57 409 351 A 54 VAL HG1% A 28 PHE HBy 1.0 3.80 4.64 410 352 A 28 PHE HBx A 54 VAL HG1% 1.0 3.82 4.68 411 353 A 28 PHE H A 28 PHE HBx 1.0 3.53 4.31 412 354 A 77 LYS H A 75 ASN HBx 1.0 4.77 5.83 413 355 A 75 ASN H A 75 ASN HBy 1.0 3.69 4.51 414 356 A 75 ASN HBy A 75 ASN HD21 1.0 3.39 4.15 415 357 A 74 LEU HA A 75 ASN HBy 1.0 4.51 5.51 416 358 A 76 GLY H A 75 ASN HBx 1.0 4.25 5.19 417 359 A 75 ASN H A 75 ASN HBx 1.0 3.67 4.49 418 360 A 74 LEU HD2% A 75 ASN HBx 1.0 4.95 6.05 419 361 A 76 GLY H A 73 GLU HGy 1.0 3.99 4.87 420 362 A 77 LYS H A 73 GLU HGy 1.0 4.26 5.20 421 363 A 74 LEU HA A 73 GLU HGy 1.0 4.18 5.12 422 364 A 73 GLU HA A 73 GLU HGy 1.0 3.53 4.31 423 365 A 76 GLY HAx A 73 GLU HGy 1.0 4.14 5.06 424 366 A 74 LEU H A 73 GLU HGy 1.0 3.85 4.71 425 367 A 74 LEU H A 73 GLU HGx 1.0 3.89 4.75 426 368 A 76 GLY H A 73 GLU HGx 1.0 3.91 4.77 427 369 A 15 ILE HA A 73 GLU HGx 1.0 4.63 5.65 428 370 A 39 VAL H A 21 GLU HGy 1.0 4.47 5.47 429 371 A 21 GLU H A 21 GLU HGy 1.0 3.73 4.55 430 372 A 21 GLU HA A 21 GLU HGy 1.0 3.48 4.26 431 373 A 37 ILE HG2% A 21 GLU HGy 1.0 3.74 4.58 432 374 A 21 GLU HGy A 39 VAL HG11 1.0 3.82 4.66 433 374 A 39 VAL HG2% A 21 GLU HGy 1.0 3.82 4.66 434 375 A 21 GLU HGx A 39 VAL HG11 1.0 3.94 4.82 435 375 A 39 VAL HG2% A 21 GLU HGx 1.0 3.94 4.82 436 376 A 21 GLU HGx A 39 VAL H 1.0 4.61 5.63 437 377 A 21 GLU HGx A 22 LYS H 1.0 4.50 5.50 438 378 A 21 GLU HGy A 38 GLU HA 1.0 4.92 6.02 439 379 A 37 ILE HG2% A 21 GLU HGx 1.0 3.75 4.59 440 380 A 17 GLU HGy A 17 GLU H 1.0 3.44 4.20 441 381 A 18 THR HB A 17 GLU HGy 1.0 4.79 5.85 442 382 A 17 GLU HGy A 17 GLU HB2 1.0 2.46 3.00 443 382 A 17 GLU HGy A 17 GLU HBy 1.0 2.46 3.00 444 383 A 17 GLU HGy A 18 THR H 1.0 4.05 4.95 445 384 A 40 PRO HDy A 38 GLU HGy 1.0 4.63 5.65 446 385 A 38 GLU HA A 38 GLU HGy 1.0 3.62 4.42 447 386 A 17 GLU HGx A 17 GLU HB2 1.0 2.16 2.64 448 386 A 17 GLU HGx A 17 GLU HBy 1.0 2.16 2.64 449 387 A 17 GLU HGx A 18 THR H 1.0 3.92 4.80 450 388 A 38 GLU HGx A 39 VAL H 1.0 4.15 5.07 451 389 A 38 GLU HGx A 38 GLU HA 1.0 3.74 4.58 452 390 A 9 ILE HG1y A 55 GLU HGx 1.0 3.62 4.42 453 391 A 40 PRO HDx A 38 GLU HGy 1.0 4.67 5.71 454 392 A 10 LEU H A 55 GLU HGy 1.0 4.92 6.02 455 393 A 40 PRO HDx A 38 GLU HGx 1.0 4.46 5.44 456 394 A 55 GLU H A 55 GLU HGx 1.0 4.38 5.36 457 395 A 56 TYR H A 55 GLU HGx 1.0 4.38 5.36 458 396 A 55 GLU HGx A 35 ARG HBy 1.0 3.91 4.79 459 397 A 36 ASN H A 55 GLU HGx 1.0 4.48 5.48 460 398 A 19 ILE HD1% A 19 ILE HB 1.0 3.47 4.25 461 399 A 48 ASN H A 47 LYS HBx 1.0 3.40 4.16 462 399 A 48 ASN H A 47 LYS HB3 1.0 3.40 4.16 463 400 A 49 ARG HGy A 47 LYS HBx 1.0 3.55 4.33 464 400 A 47 LYS HB3 A 49 ARG HGy 1.0 3.55 4.33 465 401 A 58 GLU H A 58 GLU HGy 1.0 3.79 4.63 466 402 A 59 VAL H A 58 GLU HGy 1.0 4.46 5.44 467 403 A 58 GLU HA A 58 GLU HGy 1.0 3.64 4.44 468 404 A 61 ASP H A 58 GLU HGy 1.0 4.66 5.70 469 405 A 57 VAL HG2% A 58 GLU HGy 1.0 4.95 6.05 470 406 A 58 GLU H A 58 GLU HGx 1.0 3.94 4.82 471 407 A 59 VAL H A 58 GLU HGx 1.0 4.63 5.65 472 408 A 61 ASP H A 58 GLU HGx 1.0 4.65 5.69 473 409 A 57 VAL HG1% A 58 GLU HGx 1.0 3.99 4.87 474 410 A 82 ASN H A 81 VAL HB 1.0 4.38 5.36 475 411 A 81 VAL H A 81 VAL HB 1.0 3.46 4.22 476 412 A 81 VAL HB A 66 LEU HD2% 1.0 4.24 5.18 477 413 A 80 HIS HA A 81 VAL HB 1.0 4.37 5.33 478 414 A 12 VAL HG2% A 54 VAL HB 1.0 4.63 5.65 479 415 A 77 LYS HBy A 77 LYS HE2 1.0 4.22 5.16 480 415 A 77 LYS HEy A 77 LYS HBy 1.0 4.22 5.16 481 416 A 77 LYS H A 77 LYS HBx 1.0 3.35 4.09 482 417 A 78 ARG H A 77 LYS HBx 1.0 3.71 4.53 483 418 A 55 GLU H A 54 VAL HB 1.0 4.72 5.76 484 419 A 54 VAL HB A 10 LEU HBy 1.0 3.72 4.54 485 420 A 10 LEU H A 54 VAL HB 1.0 4.26 5.20 486 421 A 54 VAL H A 54 VAL HB 1.0 3.45 4.21 487 422 A 54 VAL HB A 10 LEU HD1% 1.0 4.54 5.54 488 423 A 54 VAL HB A 10 LEU HBx 1.0 3.55 4.35 489 424 A 39 VAL H A 38 GLU HBy 1.0 4.33 5.29 490 425 A 85 LYS H A 85 LYS HBy 1.0 3.50 4.28 491 426 A 86 THR H A 85 LYS HBx 1.0 3.90 4.76 492 427 A 85 LYS H A 85 LYS HBx 1.0 3.41 4.17 493 428 A 38 GLU H A 38 GLU HBy 1.0 3.58 4.38 494 429 A 53 PHE HD% A 38 GLU HBy 1.0 4.24 5.18 495 430 A 53 PHE HD% A 38 GLU HBx 1.0 4.28 5.24 496 431 A 38 GLU H A 38 GLU HBx 1.0 3.57 4.37 497 432 A 53 PHE H A 38 GLU HBx 1.0 4.05 4.95 498 433 A 37 ILE HG2% A 38 GLU HBx 1.0 4.87 5.95 499 434 A 12 VAL H A 12 VAL HB 1.0 3.37 4.13 500 435 A 11 PHE HA A 12 VAL HB 1.0 4.62 5.64 501 436 A 44 THR H A 43 MET HGy 1.0 4.77 5.83 502 437 A 68 ASN H A 69 MET HG2 1.0 4.04 4.94 503 437 A 68 ASN H A 69 MET HGy 1.0 4.04 4.94 504 438 A 28 PHE HD% A 69 MET HG2 1.0 4.93 6.03 505 438 A 69 MET HGy A 28 PHE HD% 1.0 4.93 6.03 506 439 A 41 LEU H A 40 PRO HBx 1.0 3.82 4.68 507 440 A 43 MET H A 43 MET HGy 1.0 4.02 4.92 508 441 A 43 MET HA A 43 MET HGy 1.0 3.66 4.48 509 442 A 43 MET HGy A 43 MET HBy 1.0 2.70 3.30 510 442 A 43 MET HBx A 43 MET HGy 1.0 2.70 3.30 511 443 A 43 MET H A 43 MET HGx 1.0 4.07 4.97 512 444 A 43 MET HA A 43 MET HGx 1.0 3.65 4.47 513 445 A 51 PHE HE% A 40 PRO HBx 1.0 4.39 5.37 514 446 A 58 GLU H A 57 VAL HB 1.0 3.51 4.29 515 447 A 57 VAL H A 57 VAL HB 1.0 3.30 4.04 516 448 A 57 VAL HG2% A 35 ARG HBy 1.0 4.03 4.93 517 449 A 42 ASN HA A 43 MET HBy 1.0 4.27 5.21 518 449 A 43 MET HBx A 42 ASN HA 1.0 4.27 5.21 519 450 A 43 MET H A 43 MET HBy 1.0 3.40 4.16 520 450 A 43 MET HBx A 43 MET H 1.0 3.40 4.16 521 451 A 44 THR H A 43 MET HBy 1.0 3.99 4.87 522 451 A 44 THR H A 43 MET HBx 1.0 3.99 4.87 523 452 A 55 GLU H A 55 GLU HBy 1.0 3.70 4.52 524 453 A 36 ASN H A 55 GLU HBy 1.0 3.89 4.75 525 454 A 58 GLU HA A 59 VAL HB 1.0 4.13 5.05 526 455 A 55 GLU HBy A 35 ARG HBy 1.0 3.72 4.54 527 456 A 60 ASP H A 59 VAL HB 1.0 3.25 3.97 528 457 A 59 VAL H A 59 VAL HB 1.0 2.94 3.60 529 458 A 22 LYS H A 22 LYS HBx 1.0 2.71 3.31 530 458 A 22 LYS HB3 A 22 LYS H 1.0 2.71 3.31 531 459 A 23 SER H A 22 LYS HBx 1.0 3.22 3.94 532 459 A 23 SER H A 22 LYS HB3 1.0 3.22 3.94 533 460 A 21 GLU H A 22 LYS HBx 1.0 4.44 5.42 534 460 A 22 LYS HB3 A 21 GLU H 1.0 4.44 5.42 535 461 A 36 ASN H A 55 GLU HBx 1.0 3.92 4.80 536 462 A 36 ASN H A 35 ARG HBy 1.0 3.78 4.62 537 463 A 35 ARG HBy A 35 ARG HD2 1.0 3.71 4.53 538 463 A 35 ARG HDy A 35 ARG HBy 1.0 3.71 4.53 539 464 A 35 ARG H A 35 ARG HBy 1.0 3.67 4.49 540 465 A 35 ARG H A 35 ARG HBx 1.0 3.72 4.54 541 466 A 36 ASN H A 35 ARG HBx 1.0 3.79 4.63 542 467 A 51 PHE HE% A 49 ARG HBy 1.0 4.07 4.97 543 468 A 55 GLU HBy A 36 ASN HBy 1.0 3.87 4.73 544 469 A 55 GLU HBy A 35 ARG HBx 1.0 3.73 4.55 545 470 A 51 PHE HE% A 49 ARG HBx 1.0 4.30 5.26 546 471 A 80 HIS H A 80 HIS HBy 1.0 3.54 4.32 547 472 A 80 HIS H A 80 HIS HBx 1.0 3.44 4.20 548 473 A 61 ASP H A 58 GLU HBy 1.0 3.90 4.76 549 474 A 60 ASP H A 58 GLU HBx 1.0 4.09 5.01 550 475 A 59 VAL H A 58 GLU HBx 1.0 4.37 5.35 551 476 A 61 ASP H A 58 GLU HBx 1.0 3.91 4.77 552 477 A 58 GLU H A 58 GLU HBx 1.0 3.74 4.58 553 478 A 78 ARG H A 78 ARG HBy 1.0 3.14 3.84 554 479 A 73 GLU HBy A 76 GLY H 1.0 4.47 5.47 555 480 A 73 GLU HBy A 74 LEU H 1.0 4.18 5.10 556 481 A 73 GLU H A 73 GLU HBx 1.0 3.20 3.92 557 482 A 77 LYS H A 73 GLU HBx 1.0 4.82 5.90 558 483 A 79 ILE H A 78 ARG HBx 1.0 3.94 4.82 559 484 A 78 ARG H A 78 ARG HBx 1.0 3.27 3.99 560 485 A 79 ILE H A 78 ARG HBy 1.0 4.21 5.15 561 486 A -1 SER HA A 0 HIS HBy 1.0 4.76 5.82 562 487 A 0 HIS HBy A 80 HIS HD2 1.0 4.16 5.08 563 488 A 80 HIS HD2 A 0 HIS HBx 1.0 4.30 5.26 564 489 A 17 GLU H A 17 GLU HB2 1.0 2.96 3.62 565 489 A 17 GLU HBy A 17 GLU H 1.0 2.96 3.62 566 490 A 18 THR HA A 17 GLU HB2 1.0 4.46 5.46 567 490 A 18 THR HA A 17 GLU HBy 1.0 4.46 5.46 568 491 A 19 ILE H A 17 GLU HB2 1.0 4.51 5.51 569 491 A 19 ILE H A 17 GLU HBy 1.0 4.51 5.51 570 492 A 16 ASP HA A 17 GLU HB2 1.0 4.11 5.03 571 492 A 16 ASP HA A 17 GLU HBy 1.0 4.11 5.03 572 493 A 21 GLU H A 21 GLU HBy 1.0 3.22 3.94 573 494 A 22 LYS H A 21 GLU HBy 1.0 3.51 4.29 574 495 A 20 ASP HBx A 21 GLU HBy 1.0 4.40 5.38 575 496 A 21 GLU HBy A 39 VAL HG11 1.0 4.32 5.28 576 496 A 39 VAL HG2% A 21 GLU HBy 1.0 4.32 5.28 577 497 A 21 GLU H A 21 GLU HBx 1.0 3.23 3.95 578 498 A 22 LYS H A 21 GLU HBx 1.0 3.49 4.27 579 499 A 37 ILE HG2% A 21 GLU HBx 1.0 4.33 5.29 580 500 A 64 HIS HBy A 65 ALA HA 1.0 4.72 5.78 581 501 A 64 HIS HBy A 65 ALA H 1.0 3.52 4.30 582 502 A 64 HIS H A 64 HIS HBy 1.0 3.20 3.90 583 503 A 65 ALA HB% A 64 HIS HBy 1.0 4.89 5.97 584 504 A 65 ALA H A 64 HIS HBx 1.0 3.47 4.25 585 505 A 64 HIS H A 64 HIS HBx 1.0 3.11 3.81 586 506 A 65 ALA HB% A 64 HIS HBx 1.0 4.88 5.96 587 507 A 41 LEU HD1% A 46 LYS HBy 1.0 4.36 5.32 588 508 A 45 THR HG2% A 47 LYS HD2 1.0 3.45 4.21 589 508 A 45 THR HG2% A 47 LYS HDy 1.0 3.45 4.21 590 509 A 47 LYS H A 46 LYS HBx 1.0 4.60 5.62 591 510 A 41 LEU HBx A 46 LYS HBx 1.0 4.95 6.05 592 511 A 77 LYS HA A 77 LYS HD2 1.0 3.33 4.07 593 511 A 77 LYS HA A 77 LYS HDy 1.0 3.33 4.07 594 512 A 78 ARG H A 77 LYS HD2 1.0 4.16 5.08 595 512 A 78 ARG H A 77 LYS HDy 1.0 4.16 5.08 596 513 A 46 LYS H A 47 LYS HD2 1.0 4.54 5.56 597 513 A 46 LYS H A 47 LYS HDy 1.0 4.54 5.56 598 514 A 47 LYS H A 47 LYS HD2 1.0 3.79 4.63 599 514 A 47 LYS H A 47 LYS HDy 1.0 3.79 4.63 600 515 A 47 LYS HA A 47 LYS HD2 1.0 3.30 4.04 601 515 A 47 LYS HA A 47 LYS HDy 1.0 3.30 4.04 602 516 A 22 LYS HBx A 22 LYS HD2 1.0 3.55 4.33 603 516 A 22 LYS HB3 A 22 LYS HD2 1.0 3.55 4.33 604 516 A 22 LYS HDy A 22 LYS HBx 1.0 3.55 4.33 605 516 A 22 LYS HDy A 22 LYS HB3 1.0 3.55 4.33 606 517 A 54 VAL HA A 37 ILE HG1x 1.0 3.85 4.71 607 517 A 37 ILE HG13 A 54 VAL HA 1.0 3.85 4.71 608 518 A 43 MET HA A 46 LYS HD2 1.0 4.79 5.85 609 518 A 46 LYS HDy A 43 MET HA 1.0 4.79 5.85 610 519 A 38 GLU H A 37 ILE HG1x 1.0 4.03 4.93 611 519 A 37 ILE HG13 A 38 GLU H 1.0 4.03 4.93 612 520 A 37 ILE H A 37 ILE HG1x 1.0 3.99 4.87 613 520 A 37 ILE HG13 A 37 ILE H 1.0 3.99 4.87 614 521 A 46 LYS H A 46 LYS HD2 1.0 4.05 4.95 615 521 A 46 LYS H A 46 LYS HDy 1.0 4.05 4.95 616 522 A 47 LYS H A 46 LYS HD2 1.0 4.62 5.64 617 522 A 47 LYS H A 46 LYS HDy 1.0 4.62 5.64 618 523 A 48 ASN HA A 40 PRO HG2 1.0 4.01 4.89 619 523 A 48 ASN HA A 40 PRO HGy 1.0 4.01 4.89 620 524 A 52 ALA HA A 40 PRO HG2 1.0 4.95 6.05 621 524 A 40 PRO HGy A 52 ALA HA 1.0 4.95 6.05 622 525 A 41 LEU H A 40 PRO HG2 1.0 4.47 5.47 623 525 A 41 LEU H A 40 PRO HGy 1.0 4.47 5.47 624 526 A 53 PHE HE% A 40 PRO HG2 1.0 4.94 6.04 625 526 A 40 PRO HGy A 53 PHE HE% 1.0 4.94 6.04 626 527 A 51 PHE HE% A 40 PRO HG2 1.0 3.77 4.61 627 527 A 51 PHE HE% A 40 PRO HGy 1.0 3.77 4.61 628 528 A 51 PHE HD% A 40 PRO HG2 1.0 4.63 5.67 629 528 A 51 PHE HD% A 40 PRO HGy 1.0 4.63 5.67 630 529 A 9 ILE HG1y A 9 ILE H 1.0 3.97 4.85 631 530 A 9 ILE HG1y A 8 ASP HBx 1.0 4.91 6.01 632 531 A 48 ASN HA A 49 ARG HGy 1.0 3.83 4.69 633 532 A 34 ILE HG1y A 56 TYR HE% 1.0 4.56 5.58 634 533 A 34 ILE HG1y A 34 ILE H 1.0 3.63 4.43 635 534 A 10 LEU H A 9 ILE HG1x 1.0 4.84 5.92 636 535 A 35 ARG H A 34 ILE HG1x 1.0 4.67 5.71 637 536 A 34 ILE HG1x A 34 ILE H 1.0 3.91 4.79 638 537 A 34 ILE HG1x A 56 TYR HD% 1.0 4.95 6.05 639 538 A 34 ILE HG1x A 56 TYR HE% 1.0 4.79 5.85 640 539 A 34 ILE HG1x A 56 TYR HA 1.0 4.47 5.47 641 540 A 9 ILE HG1y A 55 GLU HA 1.0 4.78 5.84 642 541 A 48 ASN HA A 49 ARG HGx 1.0 3.78 4.62 643 542 A 35 ARG H A 35 ARG HG2 1.0 4.05 4.95 644 542 A 35 ARG H A 35 ARG HGy 1.0 4.05 4.95 645 543 A 36 ASN H A 35 ARG HG2 1.0 4.70 5.74 646 543 A 35 ARG HGy A 36 ASN H 1.0 4.70 5.74 647 544 A 28 PHE H A 27 ILE HG1x 1.0 4.90 5.98 648 544 A 27 ILE HG13 A 28 PHE H 1.0 4.90 5.98 649 545 A 27 ILE H A 27 ILE HG1x 1.0 3.77 4.61 650 545 A 27 ILE HG13 A 27 ILE H 1.0 3.77 4.61 651 546 A 9 ILE HG1x A 84 SER HB2 1.0 4.54 5.54 652 546 A 84 SER HBy A 9 ILE HG1x 1.0 4.54 5.54 653 547 A 36 ASN HBy A 35 ARG HG2 1.0 4.23 5.17 654 547 A 35 ARG HGy A 36 ASN HBy 1.0 4.23 5.17 655 548 A 57 VAL HG2% A 35 ARG HG2 1.0 3.57 4.37 656 548 A 35 ARG HGy A 57 VAL HG2% 1.0 3.57 4.37 657 549 A 28 PHE HE% A 27 ILE HG1x 1.0 4.88 5.96 658 549 A 27 ILE HG13 A 28 PHE HE% 1.0 4.88 5.96 659 550 A 66 LEU HG A 66 LEU H 1.0 4.36 5.32 660 551 A 66 LEU HG A 10 LEU HD2% 1.0 3.55 4.35 661 552 A 78 ARG HBy A 78 ARG HG2 1.0 2.16 2.64 662 552 A 78 ARG HBy A 78 ARG HGy 1.0 2.16 2.64 663 553 A 65 ALA HB% A 10 LEU HG 1.0 3.50 4.28 664 554 A 10 LEU H A 10 LEU HG 1.0 3.94 4.82 665 555 A 66 LEU H A 10 LEU HG 1.0 3.80 4.64 666 556 A 62 ALA HA A 10 LEU HG 1.0 3.60 4.40 667 557 A 28 PHE HD% A 10 LEU HG 1.0 4.27 5.21 668 558 A 24 LEU H A 24 LEU HD1% 1.0 3.93 4.81 669 559 A 24 LEU HD1% A 24 LEU HBy 1.0 3.58 4.38 670 560 A 24 LEU HD1% A 52 ALA HB% 1.0 3.53 4.31 671 561 A 24 LEU HD1% A 54 VAL HG2% 1.0 4.40 5.38 672 562 A 24 LEU HD1% A 28 PHE HD% 1.0 4.93 6.03 673 563 A 73 GLU HA A 78 ARG HG2 1.0 4.19 5.13 674 563 A 73 GLU HA A 78 ARG HGy 1.0 4.19 5.13 675 564 A 25 TYR H A 24 LEU HD1% 1.0 4.90 6.00 676 565 A 83 TYR H A 66 LEU HD2% 1.0 3.79 4.63 677 566 A 66 LEU H A 66 LEU HD2% 1.0 4.29 5.25 678 567 A 67 TYR H A 66 LEU HD2% 1.0 4.95 6.05 679 568 A 83 TYR HD% A 66 LEU HD2% 1.0 4.46 5.46 680 569 A 63 LYS HA A 66 LEU HD2% 1.0 4.95 6.05 681 570 A 66 LEU HA A 66 LEU HD2% 1.0 3.99 4.87 682 571 A 82 ASN HBy A 66 LEU HD2% 1.0 4.18 5.10 683 572 A 82 ASN HBx A 66 LEU HD2% 1.0 4.46 5.44 684 573 A 15 ILE HG1x A 19 ILE HG1x 1.0 2.76 3.38 685 573 A 15 ILE HG13 A 19 ILE HG1x 1.0 2.76 3.38 686 573 A 19 ILE HG13 A 15 ILE HG1x 1.0 2.76 3.38 687 573 A 15 ILE HG13 A 19 ILE HG13 1.0 2.76 3.38 688 574 A 74 LEU H A 74 LEU HD2% 1.0 4.78 5.84 689 575 A 75 ASN H A 74 LEU HD2% 1.0 4.65 5.69 690 576 A 74 LEU HBy A 74 LEU HD2% 1.0 3.29 4.03 691 577 A 74 LEU HA A 74 LEU HD2% 1.0 4.18 5.12 692 578 A 74 LEU HBy A 79 ILE HG1x 1.0 3.17 3.87 693 578 A 74 LEU HBy A 79 ILE HG13 1.0 3.17 3.87 694 579 A 72 PHE H A 79 ILE HG1x 1.0 4.69 5.73 695 579 A 72 PHE H A 79 ILE HG13 1.0 4.69 5.73 696 580 A 19 ILE HD1% A 15 ILE HG1x 1.0 3.97 4.85 697 580 A 19 ILE HD1% A 15 ILE HG13 1.0 3.97 4.85 698 581 A 40 PRO HA A 41 LEU HD1% 1.0 4.76 5.82 699 582 A 48 ASN HA A 41 LEU HD1% 1.0 4.58 5.60 700 583 A 46 LYS H A 46 LYS HG2 1.0 4.14 5.06 701 583 A 46 LYS H A 46 LYS HGy 1.0 4.14 5.06 702 584 A 15 ILE H A 15 ILE HG1x 1.0 3.56 4.36 703 584 A 15 ILE HG13 A 15 ILE H 1.0 3.56 4.36 704 585 A 48 ASN HD22 A 15 ILE HG1x 1.0 4.81 5.89 705 585 A 15 ILE HG13 A 48 ASN HD22 1.0 4.81 5.89 706 586 A 52 ALA HB% A 15 ILE HG1x 1.0 3.47 4.25 707 586 A 52 ALA HB% A 15 ILE HG13 1.0 3.47 4.25 708 587 A 41 LEU HG A 39 VAL HG11 1.0 4.37 5.33 709 587 A 39 VAL HG2% A 41 LEU HG 1.0 4.37 5.33 710 588 A 12 VAL HA A 52 ALA HB% 1.0 4.95 6.05 711 589 A 52 ALA HB% A 39 VAL H 1.0 4.95 6.05 712 590 A 12 VAL H A 52 ALA HB% 1.0 4.23 5.17 713 591 A 52 ALA HB% A 51 PHE HA 1.0 4.61 5.63 714 592 A 52 ALA HB% A 53 PHE H 1.0 3.13 3.83 715 593 A 52 ALA HB% A 14 GLY HAy 1.0 3.76 4.60 716 594 A 52 ALA HB% A 40 PRO HDy 1.0 4.90 6.00 717 595 A 52 ALA HB% A 40 PRO HDx 1.0 4.53 5.53 718 596 A 41 LEU HA A 41 LEU HD1% 1.0 4.21 5.15 719 597 A 41 LEU HBy A 41 LEU HD1% 1.0 3.12 3.82 720 598 A 42 ASN H A 41 LEU HD1% 1.0 4.46 5.44 721 599 A 41 LEU H A 41 LEU HD1% 1.0 4.46 5.44 722 600 A 46 LYS HA A 41 LEU HD1% 1.0 3.85 4.71 723 601 A 19 ILE HD1% A 41 LEU HD1% 1.0 2.76 3.38 724 602 A 23 SER H A 22 LYS HG2 1.0 4.63 5.65 725 602 A 23 SER H A 22 LYS HGy 1.0 4.63 5.65 726 603 A 22 LYS H A 22 LYS HG2 1.0 3.67 4.49 727 603 A 22 LYS H A 22 LYS HGy 1.0 3.67 4.49 728 604 A 63 LYS HA A 63 LYS HG2 1.0 3.78 4.62 729 604 A 63 LYS HA A 63 LYS HGy 1.0 3.78 4.62 730 605 A 77 LYS H A 77 LYS HG2 1.0 3.42 4.18 731 605 A 77 LYS H A 77 LYS HGy 1.0 3.42 4.18 732 606 A 48 ASN H A 47 LYS HG2 1.0 4.81 5.89 733 606 A 47 LYS HGy A 48 ASN H 1.0 4.81 5.89 734 607 A 47 LYS H A 47 LYS HG2 1.0 4.01 4.91 735 607 A 47 LYS HGy A 47 LYS H 1.0 4.01 4.91 736 608 A 47 LYS HA A 47 LYS HG2 1.0 3.73 4.57 737 608 A 47 LYS HGy A 47 LYS HA 1.0 3.73 4.57 738 609 A 66 LEU HD1% A 66 LEU H 1.0 4.14 5.06 739 610 A 66 LEU HD1% A 67 TYR H 1.0 3.89 4.75 740 611 A 66 LEU HD1% A 6 ALA H 1.0 4.95 6.05 741 612 A 66 LEU HD1% A 67 TYR HD% 1.0 4.24 5.18 742 613 A 66 LEU HD1% A 82 ASN HD22 1.0 4.95 6.05 743 614 A 66 LEU HD1% A 67 TYR HE% 1.0 4.95 6.05 744 615 A 66 LEU HD1% A 66 LEU HA 1.0 4.22 5.16 745 616 A 66 LEU HD1% A 66 LEU HBy 1.0 3.55 4.35 746 617 A 66 LEU HD1% A 82 ASN HBy 1.0 4.95 6.05 747 618 A 66 LEU HD1% A 10 LEU HD2% 1.0 4.22 5.16 748 619 A 7 THR HB A 63 LYS HG2 1.0 4.46 5.44 749 619 A 63 LYS HGy A 7 THR HB 1.0 4.46 5.44 750 620 A 78 ARG H A 77 LYS HG2 1.0 4.18 5.10 751 620 A 78 ARG H A 77 LYS HGy 1.0 4.18 5.10 752 621 A 77 LYS HA A 77 LYS HG2 1.0 3.29 4.03 753 621 A 77 LYS HA A 77 LYS HGy 1.0 3.29 4.03 754 622 A 85 LYS H A 85 LYS HG2 1.0 3.87 4.73 755 622 A 85 LYS H A 85 LYS HGy 1.0 3.87 4.73 756 623 A 86 THR H A 85 LYS HG2 1.0 4.27 5.21 757 623 A 86 THR H A 85 LYS HGy 1.0 4.27 5.21 758 624 A 82 ASN H A 81 VAL HG1% 1.0 3.46 4.22 759 625 A 81 VAL H A 81 VAL HG1% 1.0 4.76 5.82 760 626 A 81 VAL HG1% A 11 PHE HD% 1.0 4.02 4.92 761 627 A 12 VAL HA A 81 VAL HG1% 1.0 3.92 4.80 762 628 A 66 LEU HA A 81 VAL HG1% 1.0 3.32 4.06 763 629 A 81 VAL HG1% A 11 PHE HBx 1.0 4.70 5.74 764 629 A 11 PHE HB3 A 81 VAL HG1% 1.0 4.70 5.74 765 630 A 80 HIS HA A 81 VAL HG1% 1.0 4.95 6.05 766 631 A 65 ALA HB% A 10 LEU HD1% 1.0 4.31 5.27 767 632 A 10 LEU HD1% A 10 LEU HBx 1.0 3.26 3.98 768 633 A 10 LEU HD1% A 54 VAL HG2% 1.0 4.95 6.05 769 634 A 10 LEU HD2% A 66 LEU H 1.0 4.42 5.40 770 635 A 10 LEU HD2% A 10 LEU H 1.0 3.87 4.73 771 636 A 84 SER H A 10 LEU HD2% 1.0 4.57 5.59 772 637 A 10 LEU HD2% A 83 TYR H 1.0 4.95 6.05 773 638 A 10 LEU HD2% A 83 TYR HD% 1.0 3.70 4.52 774 639 A 10 LEU HD2% A 56 TYR HD% 1.0 4.95 6.05 775 640 A 9 ILE HA A 10 LEU HD2% 1.0 3.63 4.43 776 641 A 10 LEU HD2% A 66 LEU HBx 1.0 3.92 4.80 777 642 A 10 LEU HD2% A 66 LEU HD2% 1.0 3.65 4.47 778 643 A 24 LEU HBx A 24 LEU HD2% 1.0 3.41 4.17 779 644 A 54 VAL HG2% A 24 LEU HD2% 1.0 4.54 5.54 780 645 A 28 PHE HD% A 24 LEU HD2% 1.0 3.58 4.38 781 646 A 24 LEU HD2% A 19 ILE HG1x 1.0 3.00 3.66 782 646 A 19 ILE HG13 A 24 LEU HD2% 1.0 3.00 3.66 783 647 A 28 PHE HE% A 24 LEU HD2% 1.0 4.15 5.07 784 648 A 24 LEU H A 24 LEU HD2% 1.0 4.03 4.93 785 649 A 24 LEU HA A 24 LEU HD2% 1.0 3.17 3.87 786 650 A 57 VAL HG2% A 58 GLU H 1.0 4.16 5.08 787 651 A 57 VAL HG2% A 34 ILE H 1.0 4.95 6.05 788 652 A 35 ARG H A 57 VAL HG2% 1.0 4.08 4.98 789 653 A 57 VAL HG2% A 57 VAL H 1.0 3.24 3.96 790 654 A 57 VAL HG2% A 56 TYR HA 1.0 3.90 4.76 791 655 A 86 THR HG2% A 9 ILE HG1x 1.0 3.00 3.66 792 656 A 59 VAL HG1% A 60 ASP H 1.0 3.90 4.76 793 657 A 59 VAL HG1% A 59 VAL H 1.0 3.01 3.69 794 658 A 8 ASP H A 59 VAL HG1% 1.0 3.81 4.65 795 659 A 58 GLU HA A 59 VAL HG1% 1.0 4.18 5.10 796 660 A 59 VAL HA A 59 VAL HG1% 1.0 3.20 3.92 797 661 A 59 VAL HG1% A 8 ASP HBx 1.0 3.53 4.31 798 662 A 81 VAL HG2% A 66 LEU HA 1.0 3.91 4.77 799 663 A 82 ASN H A 81 VAL HG2% 1.0 4.69 5.73 800 664 A 81 VAL HG2% A 70 ASN HA 1.0 3.22 3.94 801 665 A 81 VAL HG2% A 72 PHE HBx 1.0 4.51 5.51 802 666 A 81 VAL HG2% A 69 MET HG2 1.0 3.72 4.54 803 666 A 81 VAL HG2% A 69 MET HGy 1.0 3.72 4.54 804 667 A 81 VAL HG2% A 66 LEU HD2% 1.0 4.83 5.91 805 668 A 13 GLY H A 81 VAL HG2% 1.0 4.68 5.72 806 669 A 81 VAL HG2% A 69 MET H 1.0 4.78 5.84 807 670 A 81 VAL HG2% A 70 ASN H 1.0 4.27 5.21 808 671 A 47 LYS H A 41 LEU HD2% 1.0 4.81 5.89 809 672 A 41 LEU H A 41 LEU HD2% 1.0 3.82 4.68 810 673 A 41 LEU HA A 41 LEU HD2% 1.0 3.19 3.89 811 674 A 46 LYS HA A 41 LEU HD2% 1.0 4.46 5.46 812 675 A 48 ASN HBx A 41 LEU HD2% 1.0 3.98 4.86 813 676 A 19 ILE HD1% A 41 LEU HD2% 1.0 2.96 3.62 814 677 A 18 THR HG2% A 19 ILE HD1% 1.0 4.14 5.06 815 678 A 86 THR H A 86 THR HG2% 1.0 3.72 4.54 816 679 A 59 VAL HG1% A 8 ASP HBy 1.0 3.80 4.64 817 680 A 59 VAL HG1% A 8 ASP HA 1.0 3.86 4.72 818 681 A 81 VAL HG2% A 72 PHE H 1.0 4.36 5.32 819 682 A 41 LEU HD2% A 40 PRO HG2 1.0 4.80 5.86 820 682 A 40 PRO HGy A 41 LEU HD2% 1.0 4.80 5.86 821 683 A 41 LEU HBy A 41 LEU HD2% 1.0 3.44 4.20 822 684 A 44 THR H A 44 THR HG2% 1.0 3.76 4.60 823 685 A 46 LYS H A 44 THR HG2% 1.0 4.55 5.57 824 686 A 45 THR H A 44 THR HG2% 1.0 3.90 4.76 825 687 A 18 THR HG2% A 16 ASP HBx 1.0 4.95 6.05 826 688 A 19 ILE HG2% A 18 THR HG2% 1.0 3.73 4.55 827 689 A 18 THR HG2% A 18 THR H 1.0 3.06 3.74 828 690 A 19 ILE H A 18 THR HG2% 1.0 3.99 4.87 829 691 A 44 THR HG2% A 45 THR HG2% 1.0 2.20 2.70 830 692 A 12 VAL HG1% A 54 VAL HG2% 1.0 4.21 5.15 831 693 A 9 ILE H A 7 THR HG2% 1.0 3.78 4.62 832 694 A 7 THR H A 7 THR HG2% 1.0 3.58 4.38 833 695 A 7 THR HG2% A 83 TYR HE% 1.0 4.74 5.80 834 696 A 6 ALA HA A 7 THR HG2% 1.0 4.09 5.01 835 697 A 7 THR HG2% A 59 VAL HG2% 1.0 3.48 4.26 836 698 A 45 THR H A 45 THR HG2% 1.0 3.08 3.76 837 699 A 45 THR HG2% A 42 ASN HBy 1.0 4.46 5.44 838 700 A 44 THR H A 45 THR HG2% 1.0 4.58 5.60 839 701 A 46 LYS H A 45 THR HG2% 1.0 4.16 5.08 840 702 A 42 ASN HD21 A 45 THR HG2% 1.0 4.34 5.30 841 703 A 42 ASN HD22 A 45 THR HG2% 1.0 4.50 5.50 842 704 A 57 VAL HG1% A 58 GLU H 1.0 4.03 4.93 843 705 A 57 VAL H A 57 VAL HG1% 1.0 3.87 4.73 844 706 A 58 GLU HA A 57 VAL HG1% 1.0 4.28 5.24 845 707 A 57 VAL HG1% A 32 GLY HAy 1.0 4.31 5.27 846 708 A 57 VAL HA A 57 VAL HG1% 1.0 3.04 3.72 847 709 A 57 VAL HG1% A 58 GLU HGy 1.0 3.87 4.73 848 710 A 57 VAL HG1% A 58 GLU HBx 1.0 4.48 5.48 849 711 A 57 VAL HG1% A 35 ARG HG2 1.0 4.60 5.62 850 711 A 35 ARG HGy A 57 VAL HG1% 1.0 4.60 5.62 851 712 A 13 GLY H A 12 VAL HG1% 1.0 3.71 4.53 852 713 A 12 VAL H A 12 VAL HG1% 1.0 4.21 5.15 853 714 A 12 VAL HA A 12 VAL HG1% 1.0 3.33 4.07 854 715 A 81 VAL HG2% A 12 VAL HG1% 1.0 3.20 3.92 855 716 A 21 GLU H A 39 VAL HG11 1.0 4.10 5.02 856 716 A 39 VAL HG2% A 21 GLU H 1.0 4.10 5.02 857 717 A 39 VAL H A 39 VAL HG11 1.0 3.49 4.27 858 717 A 39 VAL HG2% A 39 VAL H 1.0 3.49 4.27 859 718 A 38 GLU H A 39 VAL HG11 1.0 4.54 5.56 860 718 A 39 VAL HG2% A 38 GLU H 1.0 4.54 5.56 861 719 A 53 PHE H A 39 VAL HG11 1.0 4.79 5.85 862 719 A 39 VAL HG2% A 53 PHE H 1.0 4.79 5.85 863 720 A 52 ALA HA A 39 VAL HG11 1.0 3.58 4.38 864 720 A 39 VAL HG2% A 52 ALA HA 1.0 3.58 4.38 865 721 A 40 PRO HDy A 39 VAL HG11 1.0 4.58 5.60 866 721 A 39 VAL HG2% A 40 PRO HDy 1.0 4.58 5.60 867 722 A 40 PRO HDx A 39 VAL HG11 1.0 4.86 5.94 868 722 A 39 VAL HG2% A 40 PRO HDx 1.0 4.86 5.94 869 723 A 52 ALA HB% A 39 VAL HG11 1.0 3.18 3.88 870 723 A 39 VAL HG2% A 52 ALA HB% 1.0 3.18 3.88 871 724 A 60 ASP HA A 59 VAL HG2% 1.0 4.03 4.93 872 725 A 59 VAL HA A 59 VAL HG2% 1.0 3.38 4.14 873 726 A 60 ASP HBx A 59 VAL HG2% 1.0 4.34 5.30 874 727 A 59 VAL HG2% A 63 LYS HD2 1.0 3.28 4.02 875 727 A 63 LYS HDy A 59 VAL HG2% 1.0 3.28 4.02 876 728 A 60 ASP H A 59 VAL HG2% 1.0 3.59 4.39 877 729 A 8 ASP H A 59 VAL HG2% 1.0 4.53 5.53 878 730 A 59 VAL HG2% A 63 LYS HE2 1.0 4.13 5.05 879 730 A 63 LYS HEy A 59 VAL HG2% 1.0 4.13 5.05 880 731 A 11 PHE H A 12 VAL HG2% 1.0 4.95 6.05 881 732 A 54 VAL H A 54 VAL HG1% 1.0 4.29 5.25 882 733 A 55 GLU H A 54 VAL HG1% 1.0 3.63 4.43 883 734 A 28 PHE HE% A 54 VAL HG1% 1.0 4.08 4.98 884 735 A 56 TYR HE% A 54 VAL HG1% 1.0 3.75 4.59 885 736 A 54 VAL HG1% A 37 ILE HA 1.0 4.09 5.01 886 737 A 54 VAL HA A 54 VAL HG1% 1.0 3.36 4.10 887 738 A 34 ILE HA A 54 VAL HG1% 1.0 4.95 6.05 888 739 A 34 ILE HG1x A 54 VAL HG1% 1.0 2.92 3.56 889 740 A 10 LEU H A 54 VAL HG1% 1.0 4.75 5.81 890 741 A 10 LEU HD1% A 54 VAL HG1% 1.0 3.85 4.71 891 742 A 59 VAL H A 59 VAL HG2% 1.0 3.58 4.38 892 743 A 13 GLY H A 12 VAL HG2% 1.0 4.40 5.38 893 744 A 12 VAL HG2% A 12 VAL H 1.0 3.50 4.28 894 745 A 81 VAL HA A 12 VAL HG2% 1.0 4.48 5.48 895 746 A 12 VAL HG2% A 11 PHE HA 1.0 4.45 5.43 896 747 A 12 VAL HA A 12 VAL HG2% 1.0 3.46 4.22 897 748 A 12 VAL HG2% A 10 LEU HBy 1.0 3.83 4.69 898 749 A 12 VAL HG2% A 54 VAL H 1.0 4.62 5.64 899 750 A 81 VAL HG2% A 12 VAL HG2% 1.0 3.24 3.96 900 751 A 83 TYR HD% A 6 ALA HB% 1.0 4.58 5.60 901 752 A 6 ALA HB% A 6 ALA H 1.0 3.02 3.70 902 753 A 7 THR H A 6 ALA HB% 1.0 3.37 4.13 903 754 A 6 ALA HB% A 83 TYR HE% 1.0 3.95 4.83 904 755 A 5 ASN HA A 6 ALA HB% 1.0 4.27 5.21 905 756 A 6 ALA HB% A 9 ILE HB 1.0 4.20 5.14 906 757 A 6 ALA HB% A 63 LYS HG2 1.0 3.55 4.35 907 757 A 6 ALA HB% A 63 LYS HGy 1.0 3.55 4.35 908 758 A 63 LYS HA A 6 ALA HB% 1.0 4.86 5.94 909 759 A 65 ALA HB% A 64 HIS H 1.0 4.28 5.22 910 760 A 65 ALA HB% A 10 LEU HD2% 1.0 4.78 5.84 911 761 A 65 ALA HB% A 66 LEU HD2% 1.0 4.85 5.93 912 762 A 65 ALA HB% A 66 LEU H 1.0 3.36 4.10 913 763 A 65 ALA HB% A 65 ALA H 1.0 2.99 3.65 914 764 A 65 ALA HB% A 56 TYR HD% 1.0 4.05 4.95 915 765 A 56 TYR HE% A 65 ALA HB% 1.0 3.60 4.40 916 766 A 65 ALA HB% A 64 HIS HA 1.0 4.48 5.48 917 767 A 65 ALA HB% A 62 ALA HA 1.0 3.27 3.99 918 768 A 65 ALA HB% A 31 PHE HBy 1.0 3.73 4.55 919 769 A 10 LEU H A 54 VAL HG2% 1.0 4.95 6.05 920 770 A 54 VAL H A 54 VAL HG2% 1.0 3.68 4.50 921 771 A 38 GLU H A 54 VAL HG2% 1.0 3.89 4.75 922 772 A 53 PHE H A 54 VAL HG2% 1.0 4.95 6.05 923 773 A 12 VAL H A 54 VAL HG2% 1.0 4.95 6.05 924 774 A 28 PHE HE% A 54 VAL HG2% 1.0 4.30 5.26 925 775 A 56 TYR HE% A 54 VAL HG2% 1.0 4.95 6.05 926 776 A 53 PHE HA A 54 VAL HG2% 1.0 4.40 5.38 927 777 A 54 VAL HA A 54 VAL HG2% 1.0 3.38 4.14 928 778 A 28 PHE HD% A 54 VAL HG2% 1.0 4.48 5.48 929 779 A 54 VAL HG2% A 37 ILE HA 1.0 4.28 5.24 930 780 A 28 PHE HBy A 54 VAL HG2% 1.0 4.95 6.05 931 781 A 28 PHE HBx A 54 VAL HG2% 1.0 4.73 5.79 932 782 A 52 ALA HB% A 54 VAL HG2% 1.0 3.63 4.43 933 783 A 37 ILE HD1% A 54 VAL HG2% 1.0 3.34 4.08 934 784 A 12 VAL HG2% A 54 VAL HG2% 1.0 3.32 4.06 935 785 A 79 ILE HG2% A 80 HIS H 1.0 3.50 4.28 936 786 A 79 ILE HG2% A 79 ILE H 1.0 3.42 4.18 937 787 A 79 ILE HG2% A 79 ILE HA 1.0 3.12 3.82 938 788 A 64 HIS H A 62 ALA HB% 1.0 4.95 6.05 939 789 A 62 ALA HB% A 8 ASP HBx 1.0 4.54 5.54 940 790 A 10 LEU HD2% A 62 ALA HB% 1.0 3.62 4.42 941 791 A 56 TYR H A 62 ALA HB% 1.0 4.33 5.29 942 792 A 63 LYS H A 62 ALA HB% 1.0 3.42 4.18 943 793 A 9 ILE H A 62 ALA HB% 1.0 4.91 6.01 944 794 A 62 ALA H A 62 ALA HB% 1.0 3.15 3.85 945 795 A 8 ASP HA A 62 ALA HB% 1.0 3.23 3.95 946 796 A 59 VAL HA A 62 ALA HB% 1.0 3.28 4.00 947 797 A 10 LEU HD1% A 62 ALA HB% 1.0 3.87 4.73 948 798 A 19 ILE H A 19 ILE HG2% 1.0 3.73 4.57 949 799 A 19 ILE HG2% A 23 SER HA 1.0 4.72 5.76 950 800 A 19 ILE HG2% A 24 LEU HA 1.0 4.47 5.47 951 801 A 23 SER HBy A 19 ILE HG2% 1.0 3.54 4.32 952 802 A 19 ILE HG2% A 19 ILE HA 1.0 3.11 3.81 953 803 A 20 ASP H A 19 ILE HG2% 1.0 3.27 3.99 954 804 A 16 ASP H A 15 ILE HG2% 1.0 3.82 4.68 955 805 A 48 ASN HD22 A 15 ILE HG2% 1.0 4.95 6.05 956 806 A 15 ILE H A 15 ILE HG2% 1.0 3.37 4.13 957 807 A 52 ALA HB% A 15 ILE HG2% 1.0 3.82 4.66 958 808 A 15 ILE HD1% A 15 ILE HG2% 1.0 2.99 3.65 959 809 A 10 LEU H A 62 ALA HB% 1.0 4.88 5.96 960 810 A 8 ASP H A 62 ALA HB% 1.0 4.61 5.63 961 811 A 7 THR HA A 62 ALA HB% 1.0 4.58 5.60 962 812 A 10 LEU H A 9 ILE HG2% 1.0 3.55 4.33 963 813 A 84 SER H A 9 ILE HG2% 1.0 3.82 4.66 964 814 A 9 ILE H A 9 ILE HG2% 1.0 3.73 4.55 965 815 A 53 PHE HD% A 9 ILE HG2% 1.0 3.75 4.59 966 816 A 9 ILE HA A 9 ILE HG2% 1.0 3.49 4.27 967 817 A 9 ILE HG2% A 84 SER HB2 1.0 3.31 4.05 968 817 A 84 SER HBy A 9 ILE HG2% 1.0 3.31 4.05 969 818 A 55 GLU HGx A 9 ILE HG2% 1.0 4.81 5.87 970 819 A 53 PHE HE% A 9 ILE HG2% 1.0 4.95 6.05 971 820 A 55 GLU HA A 9 ILE HG2% 1.0 4.08 4.98 972 821 A 53 PHE HA A 9 ILE HG2% 1.0 4.46 5.44 973 822 A 35 ARG H A 34 ILE HG2% 1.0 3.49 4.27 974 823 A 34 ILE HG2% A 55 GLU H 1.0 4.02 4.92 975 824 A 34 ILE HG2% A 34 ILE H 1.0 3.88 4.74 976 825 A 34 ILE HG2% A 37 ILE H 1.0 4.42 5.40 977 826 A 34 ILE HG2% A 36 ASN H 1.0 3.27 3.99 978 827 A 25 TYR HD% A 34 ILE HG2% 1.0 4.11 5.03 979 828 A 34 ILE HG2% A 25 TYR HE% 1.0 4.09 4.99 980 829 A 34 ILE HG2% A 37 ILE HA 1.0 3.88 4.74 981 830 A 34 ILE HG2% A 56 TYR HA 1.0 4.20 5.14 982 831 A 34 ILE HG2% A 34 ILE HA 1.0 3.52 4.30 983 832 A 34 ILE HG2% A 37 ILE HG1x 1.0 3.37 4.13 984 832 A 37 ILE HG13 A 34 ILE HG2% 1.0 3.37 4.13 985 833 A 34 ILE HG1y A 34 ILE HG2% 1.0 3.55 4.33 986 834 A 57 VAL HG2% A 34 ILE HG2% 1.0 4.14 5.06 987 835 A 34 ILE HG2% A 54 VAL HG1% 1.0 3.23 3.95 988 836 A 34 ILE HG2% A 35 ARG HA 1.0 4.95 6.05 989 837 A 34 ILE HG2% A 36 ASN HBy 1.0 4.91 6.01 990 838 A 26 ASP H A 27 ILE HG2% 1.0 4.95 6.05 991 839 A 28 PHE HE% A 27 ILE HG2% 1.0 4.08 4.98 992 840 A 27 ILE H A 27 ILE HG2% 1.0 3.58 4.38 993 841 A 27 ILE HG2% A 28 PHE HA 1.0 4.39 5.37 994 842 A 24 LEU HA A 27 ILE HG2% 1.0 4.58 5.60 995 843 A 27 ILE HD1% A 27 ILE HG2% 1.0 3.07 3.75 996 844 A 28 PHE H A 27 ILE HG2% 1.0 3.91 4.77 997 845 A 27 ILE HA A 27 ILE HG2% 1.0 3.34 4.08 998 846 A 28 PHE HBx A 27 ILE HG2% 1.0 4.58 5.60 999 847 A 54 VAL HG2% A 27 ILE HG2% 1.0 4.84 5.92 1000 848 A 37 ILE HG2% A 38 GLU H 1.0 3.32 4.06 1001 849 A 37 ILE HG2% A 37 ILE H 1.0 3.78 4.62 1002 850 A 24 LEU H A 37 ILE HG2% 1.0 4.75 5.81 1003 851 A 37 ILE HG2% A 37 ILE HA 1.0 3.27 3.99 1004 852 A 54 VAL HA A 37 ILE HG2% 1.0 4.08 4.98 1005 853 A 37 ILE HG2% A 37 ILE HG1x 1.0 3.01 3.69 1006 853 A 37 ILE HG13 A 37 ILE HG2% 1.0 3.01 3.69 1007 854 A 37 ILE HG2% A 24 LEU HBx 1.0 3.75 4.59 1008 855 A 37 ILE HG2% A 54 VAL HG1% 1.0 4.25 5.19 1009 856 A 37 ILE HG2% A 25 TYR HBx 1.0 4.58 5.60 1010 857 A 37 ILE HG2% A 54 VAL HG2% 1.0 3.82 4.68 1011 858 A 9 ILE HD1% A 55 GLU HGy 1.0 4.50 5.50 1012 859 A 27 ILE HD1% A 28 PHE HE% 1.0 4.09 5.01 1013 860 A 27 ILE HD1% A 26 ASP H 1.0 4.95 6.05 1014 861 A 27 ILE HD1% A 24 LEU H 1.0 4.25 5.19 1015 862 A 27 ILE HD1% A 23 SER HBy 1.0 4.11 5.03 1016 863 A 27 ILE HD1% A 27 ILE HB 1.0 2.85 3.49 1017 864 A 27 ILE HD1% A 28 PHE H 1.0 4.36 5.32 1018 865 A 27 ILE HD1% A 24 LEU HA 1.0 3.73 4.57 1019 866 A 78 ARG HA A 79 ILE HD1% 1.0 4.95 6.05 1020 867 A 9 ILE HD1% A 10 LEU H 1.0 4.87 5.95 1021 868 A 9 ILE HD1% A 9 ILE H 1.0 3.90 4.76 1022 869 A 37 ILE HD1% A 37 ILE HA 1.0 3.64 4.44 1023 870 A 9 ILE HD1% A 55 GLU HGx 1.0 4.28 5.22 1024 871 A 37 ILE H A 37 ILE HD1% 1.0 4.69 5.73 1025 872 A 25 TYR HA A 37 ILE HD1% 1.0 3.19 3.89 1026 873 A 37 ILE HD1% A 54 VAL HG1% 1.0 3.46 4.22 1027 874 A 27 ILE HD1% A 25 TYR H 1.0 3.69 4.51 1028 875 A 15 ILE HD1% A 48 ASN HBx 1.0 4.37 5.35 1029 876 A 73 GLU HA A 79 ILE HD1% 1.0 4.95 6.05 1030 877 A 80 HIS H A 79 ILE HD1% 1.0 3.98 4.86 1031 878 A 79 ILE H A 79 ILE HD1% 1.0 3.83 4.69 1032 879 A 72 PHE HBx A 79 ILE HD1% 1.0 3.61 4.41 1033 880 A 79 ILE HB A 79 ILE HD1% 1.0 3.26 3.98 1034 881 A 52 ALA H A 15 ILE HD1% 1.0 4.88 5.96 1035 882 A 16 ASP H A 15 ILE HD1% 1.0 4.79 5.85 1036 883 A 48 ASN HD21 A 15 ILE HD1% 1.0 4.40 5.38 1037 884 A 15 ILE HD1% A 48 ASN HD22 1.0 4.11 5.03 1038 885 A 15 ILE HD1% A 15 ILE H 1.0 3.44 4.20 1039 886 A 52 ALA HB% A 15 ILE HD1% 1.0 3.62 4.42 1040 887 A 25 TYR HA A 34 ILE HD1% 1.0 3.86 4.72 1041 888 A 35 ARG H A 34 ILE HD1% 1.0 4.54 5.56 1042 889 A 29 SER H A 34 ILE HD1% 1.0 3.91 4.77 1043 890 A 34 ILE HD1% A 34 ILE H 1.0 3.90 4.76 1044 891 A 25 TYR HD% A 34 ILE HD1% 1.0 4.02 4.92 1045 892 A 34 ILE HD1% A 28 PHE HD% 1.0 4.37 5.35 1046 893 A 34 ILE HD1% A 56 TYR HE% 1.0 4.01 4.89 1047 894 A 34 ILE HD1% A 33 ASP HA 1.0 4.10 5.02 1048 895 A 34 ILE HD1% A 29 SER HA 1.0 3.34 4.08 1049 896 A 34 ILE HD1% A 34 ILE HA 1.0 3.89 4.75 1050 897 A 34 ILE HD1% A 28 PHE HBy 1.0 3.82 4.68 1051 898 A 28 PHE HBx A 34 ILE HD1% 1.0 3.71 4.53 1052 899 A 34 ILE HD1% A 34 ILE HB 1.0 3.47 4.25 1053 900 A 34 ILE HD1% A 37 ILE HG1x 1.0 4.34 5.30 1054 900 A 37 ILE HG13 A 34 ILE HD1% 1.0 4.34 5.30 1055 901 A 34 ILE HD1% A 37 ILE HD1% 1.0 3.59 4.39 1056 902 A 34 ILE HD1% A 34 ILE HG2% 1.0 3.24 3.96 1057 903 A 34 ILE HD1% A 54 VAL HG2% 1.0 3.92 4.80 1058 904 A 34 ILE HD1% A 36 ASN H 1.0 4.95 6.05 1059 905 A 18 THR HA A 19 ILE HD1% 1.0 4.55 5.57 1060 906 A 23 SER HBy A 19 ILE HD1% 1.0 4.09 4.99 1061 907 A 19 ILE HD1% A 16 ASP HBy 1.0 4.00 4.88 1062 908 A 20 ASP H A 19 ILE HD1% 1.0 3.74 4.58 1063 909 A 19 ILE H A 19 ILE HD1% 1.0 3.82 4.68 1064 910 A 19 ILE HG2% A 19 ILE HD1% 1.0 2.93 3.59 1065 911 A 19 ILE HD1% A 16 ASP HBx 1.0 4.28 5.22 1066 912 A 19 ILE HD1% A 46 LYS HG2 1.0 3.28 4.00 1067 912 A 19 ILE HD1% A 46 LYS HGy 1.0 3.28 4.00 1068 913 A 83 TYR HD% A 83 TYR H 1.0 3.78 4.62 1069 914 A 83 TYR HD% A 7 THR HG2% 1.0 3.85 4.71 1070 915 A 67 TYR H A 67 TYR HD% 1.0 3.91 4.77 1071 916 A 67 TYR HA A 67 TYR HD% 1.0 3.25 3.97 1072 917 A 51 PHE HD% A 52 ALA HA 1.0 4.10 5.02 1073 918 A 28 PHE HE% A 24 LEU HBx 1.0 3.84 4.70 1074 919 A 28 PHE HE% A 10 LEU HG 1.0 4.05 4.95 1075 920 A 11 PHE H A 11 PHE HD% 1.0 4.90 5.98 1076 921 A 11 PHE HA A 11 PHE HD% 1.0 3.91 4.79 1077 922 A 11 PHE HD% A 84 SER HB2 1.0 4.81 5.87 1078 922 A 84 SER HBy A 11 PHE HD% 1.0 4.81 5.87 1079 923 A 53 PHE HD% A 53 PHE H 1.0 4.43 5.41 1080 924 A 53 PHE HD% A 52 ALA HA 1.0 4.01 4.91 1081 925 A 52 ALA H A 11 PHE HE% 1.0 4.64 5.68 1082 926 A 12 VAL HG2% A 11 PHE HD% 1.0 4.95 6.05 1083 927 A 53 PHE HA A 53 PHE HE% 1.0 4.73 5.79 1084 928 A 52 ALA HA A 53 PHE HE% 1.0 4.20 5.14 1085 929 A 53 PHE HE% A 11 PHE HBx 1.0 3.80 4.64 1086 929 A 11 PHE HB3 A 53 PHE HE% 1.0 3.80 4.64 1087 930 A 38 GLU HBy A 53 PHE HE% 1.0 4.37 5.35 1088 931 A 53 PHE H A 53 PHE HE% 1.0 4.95 6.05 1089 932 A 51 PHE HE% A 52 ALA HA 1.0 4.46 5.44 1090 933 A 51 PHE HE% A 49 ARG HGy 1.0 4.93 6.03 1091 934 A 24 LEU HBx A 28 PHE HD% 1.0 3.69 4.51 1092 935 A 27 ILE HD1% A 28 PHE HD% 1.0 3.61 4.41 1093 936 A 28 PHE HD% A 27 ILE HG2% 1.0 3.76 4.60 1094 937 A 80 HIS HBy A 80 HIS HD2 1.0 3.54 4.32 1095 938 A 80 HIS H A 80 HIS HD2 1.0 4.07 4.97 1096 939 A 64 HIS HA A 64 HIS HD2 1.0 3.37 4.11 1097 940 A 64 HIS HD2 A 63 LYS HBx 1.0 4.95 6.05 1098 940 A 64 HIS HD2 A 63 LYS HB3 1.0 4.95 6.05 1099 941 A 6 ALA HA A 83 TYR HE% 1.0 3.58 4.38 1100 942 A 67 TYR HA A 67 TYR HE% 1.0 4.37 5.35 1101 943 A 56 TYR HE% A 28 PHE HE% 1.0 4.07 4.97 1102 944 A 56 TYR HE% A 32 GLY HAy 1.0 3.58 4.38 1103 945 A 56 TYR HE% A 28 PHE HA 1.0 4.95 6.05 1104 946 A 56 TYR HE% A 28 PHE HBy 1.0 3.81 4.65 1105 947 A 56 TYR HE% A 10 LEU HD1% 1.0 3.34 4.08 1106 948 A 56 TYR HE% A 54 VAL HB 1.0 4.57 5.59 1107 949 A 35 ARG H A 56 TYR H 1.0 4.94 6.04 1108 950 A 35 ARG H A 55 GLU HGy 1.0 4.95 6.05 1109 951 A 35 ARG H A 57 VAL HG1% 1.0 4.95 6.05 1110 952 A 35 ARG H A 34 ILE H 1.0 4.64 5.68 1111 953 A 35 ARG H A 57 VAL H 1.0 4.31 5.27 1112 954 A 35 ARG H A 36 ASN HA 1.0 4.93 6.03 1113 955 A 74 LEU H A 76 GLY H 1.0 3.69 4.51 1114 956 A 73 GLU H A 74 LEU H 1.0 4.33 5.29 1115 957 A 74 LEU H A 73 GLU HBx 1.0 4.36 5.32 1116 958 A 79 ILE HG2% A 74 LEU H 1.0 4.95 6.05 1117 959 A 12 VAL H A 11 PHE HBx 1.0 4.52 5.52 1118 959 A 11 PHE HB3 A 12 VAL H 1.0 4.52 5.52 1119 960 A 12 VAL H A 10 LEU HBx 1.0 4.92 6.02 1120 961 A 56 TYR H A 56 TYR HD% 1.0 4.30 5.26 1121 962 A 9 ILE HG1y A 56 TYR H 1.0 4.64 5.68 1122 963 A 9 ILE HG1x A 56 TYR H 1.0 4.95 6.05 1123 964 A 57 VAL H A 56 TYR H 1.0 4.85 5.93 1124 965 A 9 ILE HA A 56 TYR H 1.0 4.95 6.05 1125 966 A 56 TYR H A 8 ASP HBy 1.0 4.95 6.05 1126 967 A 56 TYR H A 55 GLU HGy 1.0 4.69 5.73 1127 968 A 56 TYR H A 9 ILE HG2% 1.0 4.95 6.05 1128 969 A 55 GLU H A 54 VAL HG2% 1.0 4.95 6.05 1129 970 A 35 ARG H A 55 GLU H 1.0 4.95 6.05 1130 971 A 55 GLU H A 55 GLU HGy 1.0 4.00 4.88 1131 972 A 55 GLU H A 56 TYR H 1.0 4.72 5.78 1132 973 A 75 ASN H A 73 GLU HGx 1.0 4.95 6.05 1133 974 A 73 GLU HBy A 75 ASN H 1.0 4.95 6.05 1134 975 A 74 LEU H A 75 ASN H 1.0 4.30 5.26 1135 976 A 38 GLU H A 38 GLU HGy 1.0 4.04 4.94 1136 977 A 38 GLU H A 53 PHE H 1.0 3.40 4.16 1137 978 A 38 GLU H A 53 PHE HBy 1.0 4.95 6.05 1138 979 A 38 GLU H A 52 ALA HB% 1.0 3.97 4.85 1139 980 A 38 GLU H A 39 VAL H 1.0 3.47 4.25 1140 981 A 39 VAL H A 38 GLU HA 1.0 3.16 3.86 1141 982 A 39 VAL H A 38 GLU HGy 1.0 3.60 4.40 1142 983 A 39 VAL H A 38 GLU HBx 1.0 4.64 5.68 1143 984 A 37 ILE HG2% A 39 VAL H 1.0 3.99 4.87 1144 985 A 57 VAL H A 34 ILE H 1.0 4.95 6.05 1145 986 A 34 ILE H A 33 ASP H 1.0 4.15 5.07 1146 987 A 34 ILE H A 57 VAL HG1% 1.0 4.95 6.05 1147 988 A 29 SER HA A 34 ILE H 1.0 4.95 6.05 1148 989 A 73 GLU H A 72 PHE HE% 1.0 4.95 6.05 1149 990 A 73 GLU H A 73 GLU HGy 1.0 3.51 4.29 1150 991 A 73 GLU H A 73 GLU HGx 1.0 3.41 4.17 1151 992 A 73 GLU H A 78 ARG HD2 1.0 4.95 6.05 1152 992 A 73 GLU H A 78 ARG HDy 1.0 4.95 6.05 1153 993 A 73 GLU H A 79 ILE H 1.0 4.95 6.05 1154 994 A 73 GLU H A 72 PHE HBx 1.0 4.95 6.05 1155 995 A 20 ASP H A 21 GLU H 1.0 4.44 5.42 1156 996 A 19 ILE H A 20 ASP H 1.0 4.24 5.18 1157 997 A 23 SER HBy A 20 ASP H 1.0 3.04 3.72 1158 998 A 20 ASP H A 22 LYS HE2 1.0 4.95 6.05 1159 998 A 20 ASP H A 22 LYS HEy 1.0 4.95 6.05 1160 999 A 20 ASP H A 19 ILE HG1x 1.0 3.82 4.68 1161 999 A 20 ASP H A 19 ILE HG13 1.0 3.82 4.68 1162 1000 A 42 ASN H A 43 MET H 1.0 4.48 5.48 1163 1001 A 43 MET H A 42 ASN HBx 1.0 4.85 5.93 1164 1002 A 23 SER H A 20 ASP H 1.0 3.87 4.73 1165 1003 A 10 LEU H A 54 VAL H 1.0 3.95 4.83 1166 1004 A 45 THR H A 43 MET H 1.0 4.37 5.35 1167 1005 A 59 VAL H A 61 ASP H 1.0 4.36 5.32 1168 1006 A 85 LYS H A 85 LYS HD2 1.0 4.46 5.44 1169 1006 A 85 LYS H A 85 LYS HDy 1.0 4.46 5.44 1170 1007 A 85 LYS H A 11 PHE HBx 1.0 4.95 6.05 1171 1007 A 85 LYS H A 11 PHE HB3 1.0 4.95 6.05 1172 1008 A 59 VAL H A 8 ASP HBy 1.0 4.95 6.05 1173 1009 A 59 VAL H A 58 GLU HBy 1.0 3.59 4.39 1174 1010 A 59 VAL H A 58 GLU H 1.0 4.53 5.53 1175 1011 A 59 VAL H A 60 ASP HBy 1.0 4.95 6.05 1176 1012 A 84 SER H A 85 LYS H 1.0 4.23 5.17 1177 1013 A 11 PHE H A 12 VAL H 1.0 4.55 5.57 1178 1014 A 11 PHE H A 83 TYR HA 1.0 4.63 5.65 1179 1015 A 11 PHE H A 10 LEU HBy 1.0 4.95 6.05 1180 1016 A 11 PHE H A 81 VAL HG1% 1.0 4.95 6.05 1181 1017 A 11 PHE H A 10 LEU HD2% 1.0 4.95 6.05 1182 1018 A 81 VAL H A 70 ASN H 1.0 4.95 6.05 1183 1019 A 81 VAL H A 80 HIS HBy 1.0 4.46 5.44 1184 1020 A 81 VAL H A 70 ASN HA 1.0 4.34 5.30 1185 1021 A 81 VAL H A 70 ASN HB2 1.0 4.95 6.05 1186 1021 A 81 VAL H A 70 ASN HBy 1.0 4.95 6.05 1187 1022 A 82 ASN H A 81 VAL H 1.0 4.70 5.74 1188 1023 A 81 VAL H A 80 HIS HBx 1.0 4.59 5.61 1189 1024 A 81 VAL HG2% A 81 VAL H 1.0 4.26 5.20 1190 1025 A 81 VAL H A 80 HIS HD2 1.0 4.93 6.03 1191 1026 A 63 LYS H A 65 ALA H 1.0 4.28 5.22 1192 1027 A 65 ALA H A 63 LYS HBx 1.0 4.90 5.98 1193 1027 A 65 ALA H A 63 LYS HB3 1.0 4.90 5.98 1194 1028 A 34 ILE HD1% A 25 TYR H 1.0 4.95 6.05 1195 1029 A 23 SER H A 25 TYR H 1.0 4.42 5.40 1196 1030 A 25 TYR H A 24 LEU H 1.0 3.28 4.00 1197 1031 A 25 TYR H A 27 ILE H 1.0 4.81 5.87 1198 1032 A 23 SER HA A 25 TYR H 1.0 4.01 4.91 1199 1033 A 25 TYR H A 37 ILE HD1% 1.0 4.32 5.28 1200 1034 A 78 ARG H A 78 ARG HD2 1.0 4.63 5.65 1201 1034 A 78 ARG H A 78 ARG HDy 1.0 4.63 5.65 1202 1035 A 77 LYS H A 78 ARG H 1.0 4.04 4.94 1203 1036 A 19 ILE H A 16 ASP HBx 1.0 4.95 6.05 1204 1037 A 19 ILE H A 18 THR H 1.0 3.02 3.70 1205 1038 A 19 ILE H A 16 ASP H 1.0 4.66 5.70 1206 1039 A 19 ILE H A 19 ILE HB 1.0 3.63 4.43 1207 1040 A 19 ILE H A 46 LYS HG2 1.0 4.44 5.42 1208 1040 A 19 ILE H A 46 LYS HGy 1.0 4.44 5.42 1209 1041 A 19 ILE H A 19 ILE HG1x 1.0 4.01 4.89 1210 1041 A 19 ILE H A 19 ILE HG13 1.0 4.01 4.89 1211 1042 A 16 ASP H A 15 ILE H 1.0 4.60 5.62 1212 1043 A 16 ASP H A 19 ILE HG1x 1.0 3.90 4.76 1213 1043 A 16 ASP H A 19 ILE HG13 1.0 3.90 4.76 1214 1044 A 38 GLU H A 37 ILE H 1.0 4.11 5.03 1215 1045 A 37 ILE H A 36 ASN HD21 1.0 4.32 5.28 1216 1046 A 25 TYR HD% A 37 ILE H 1.0 4.85 5.93 1217 1047 A 37 ILE H A 36 ASN HA 1.0 3.20 3.90 1218 1048 A 36 ASN HBy A 37 ILE H 1.0 4.95 6.05 1219 1049 A 62 ALA H A 60 ASP H 1.0 4.83 5.91 1220 1050 A 62 ALA H A 8 ASP HA 1.0 4.89 5.97 1221 1051 A 62 ALA H A 60 ASP HA 1.0 4.95 6.05 1222 1052 A 62 ALA H A 56 TYR HBy 1.0 4.08 4.98 1223 1053 A 62 ALA H A 61 ASP HBy 1.0 4.95 6.05 1224 1054 A 62 ALA H A 60 ASP HBy 1.0 4.92 6.02 1225 1055 A 55 GLU H A 54 VAL H 1.0 4.24 5.18 1226 1056 A 54 VAL H A 10 LEU HBy 1.0 4.14 5.06 1227 1057 A 54 VAL H A 9 ILE HG2% 1.0 4.54 5.56 1228 1058 A 62 ALA H A 59 VAL H 1.0 4.95 6.05 1229 1059 A 53 PHE HD% A 54 VAL H 1.0 4.95 6.05 1230 1060 A 54 VAL H A 12 VAL H 1.0 4.63 5.67 1231 1061 A 54 VAL H A 53 PHE HBy 1.0 4.37 5.35 1232 1062 A 2 SER HBx A 3 ASP H 1.0 4.84 5.92 1233 1063 A 82 ASN HBy A 3 ASP H 1.0 3.97 4.85 1234 1064 A 72 PHE H A 71 ASN H 1.0 3.25 3.97 1235 1065 A 72 PHE H A 78 ARG HD2 1.0 4.18 5.12 1236 1065 A 78 ARG HDy A 72 PHE H 1.0 4.18 5.12 1237 1066 A 72 PHE H A 69 MET HB2 1.0 3.89 4.75 1238 1066 A 72 PHE H A 69 MET HBy 1.0 3.89 4.75 1239 1067 A 72 PHE H A 79 ILE HD1% 1.0 4.95 6.05 1240 1068 A 4 ASN HD22 A 6 ALA H 1.0 4.14 5.06 1241 1069 A 42 ASN H A 47 LYS HD2 1.0 4.04 4.94 1242 1069 A 47 LYS HDy A 42 ASN H 1.0 4.04 4.94 1243 1070 A 70 ASN H A 71 ASN H 1.0 4.21 5.15 1244 1071 A 71 ASN H A 69 MET HA 1.0 4.54 5.56 1245 1072 A 71 ASN H A 69 MET HB2 1.0 4.36 5.32 1246 1072 A 69 MET HBy A 71 ASN H 1.0 4.36 5.32 1247 1073 A 81 VAL HG2% A 71 ASN H 1.0 4.95 6.05 1248 1074 A 41 LEU H A 42 ASN H 1.0 4.45 5.43 1249 1075 A 42 ASN H A 41 LEU HD2% 1.0 4.95 6.05 1250 1076 A 11 PHE H A 82 ASN H 1.0 3.80 4.64 1251 1077 A 82 ASN H A 66 LEU HD2% 1.0 4.95 6.05 1252 1078 A 77 LYS H A 75 ASN H 1.0 4.44 5.42 1253 1079 A 74 LEU H A 77 LYS H 1.0 3.45 4.21 1254 1080 A 77 LYS H A 75 ASN HBy 1.0 4.85 5.93 1255 1081 A 77 LYS H A 77 LYS HBy 1.0 3.37 4.11 1256 1082 A 73 GLU HBy A 77 LYS H 1.0 3.71 4.53 1257 1083 A 52 ALA H A 39 VAL HG11 1.0 4.95 6.05 1258 1083 A 39 VAL HG2% A 52 ALA H 1.0 4.95 6.05 1259 1084 A 12 VAL HG2% A 52 ALA H 1.0 4.95 6.05 1260 1085 A 12 VAL H A 52 ALA H 1.0 3.78 4.62 1261 1086 A 51 PHE H A 52 ALA H 1.0 4.09 4.99 1262 1087 A 52 ALA H A 11 PHE HD% 1.0 4.43 5.41 1263 1088 A 51 PHE HD% A 52 ALA H 1.0 4.69 5.73 1264 1089 A 86 THR H A 85 LYS HBy 1.0 3.72 4.54 1265 1090 A 86 THR H A 85 LYS HD2 1.0 4.60 5.62 1266 1090 A 86 THR H A 85 LYS HDy 1.0 4.60 5.62 1267 1091 A 86 THR H A 9 ILE HG2% 1.0 4.95 6.05 1268 1092 A 29 SER H A 26 ASP H 1.0 4.29 5.25 1269 1093 A 52 ALA H A 51 PHE HBx 1.0 4.11 5.03 1270 1094 A 84 SER H A 83 TYR H 1.0 4.46 5.46 1271 1095 A 82 ASN H A 83 TYR H 1.0 4.63 5.65 1272 1096 A 83 TYR H A 4 ASN HD22 1.0 4.83 5.91 1273 1097 A 28 PHE H A 29 SER H 1.0 3.23 3.95 1274 1098 A 29 SER H A 30 SER H 1.0 3.18 3.88 1275 1099 A 29 SER H A 31 PHE H 1.0 4.38 5.36 1276 1100 A 27 ILE HA A 29 SER H 1.0 3.97 4.85 1277 1101 A 29 SER H A 28 PHE HBy 1.0 3.77 4.61 1278 1102 A 29 SER H A 30 SER HBx 1.0 3.75 4.59 1279 1103 A 29 SER H A 27 ILE HB 1.0 4.95 6.05 1280 1104 A 29 SER H A 27 ILE HG2% 1.0 4.95 6.05 1281 1105 A 79 ILE H A 78 ARG HD2 1.0 4.95 6.05 1282 1105 A 79 ILE H A 78 ARG HDy 1.0 4.95 6.05 1283 1106 A 79 ILE H A 79 ILE HB 1.0 3.70 4.52 1284 1107 A 79 ILE H A 79 ILE HG1x 1.0 3.74 4.58 1285 1107 A 79 ILE H A 79 ILE HG13 1.0 3.74 4.58 1286 1108 A 63 LYS H A 61 ASP H 1.0 4.72 5.78 1287 1109 A 64 HIS H A 61 ASP H 1.0 4.95 6.05 1288 1110 A 80 HIS H A 79 ILE HG1x 1.0 4.95 6.05 1289 1110 A 80 HIS H A 79 ILE HG13 1.0 4.95 6.05 1290 1111 A 26 ASP H A 25 TYR H 1.0 3.28 4.00 1291 1112 A 26 ASP H A 24 LEU H 1.0 4.35 5.31 1292 1113 A 26 ASP H A 27 ILE H 1.0 3.35 4.09 1293 1114 A 26 ASP HBy A 26 ASP H 1.0 3.23 3.95 1294 1115 A 79 ILE H A 72 PHE H 1.0 4.81 5.89 1295 1116 A 66 LEU H A 65 ALA H 1.0 3.43 4.19 1296 1117 A 66 LEU H A 66 LEU HBx 1.0 3.47 4.23 1297 1118 A 22 LYS H A 22 LYS HE2 1.0 4.95 6.05 1298 1118 A 22 LYS H A 22 LYS HEy 1.0 4.95 6.05 1299 1119 A 61 ASP H A 58 GLU H 1.0 4.92 6.02 1300 1120 A 58 GLU HA A 61 ASP H 1.0 4.95 6.05 1301 1121 A 61 ASP H A 56 TYR HBy 1.0 4.95 6.05 1302 1122 A 59 VAL HA A 61 ASP H 1.0 4.95 6.05 1303 1123 A 62 ALA HB% A 61 ASP H 1.0 4.95 6.05 1304 1124 A 17 GLU H A 18 THR H 1.0 3.18 3.88 1305 1125 A 18 THR HB A 17 GLU H 1.0 4.52 5.52 1306 1126 A 17 GLU HGx A 17 GLU H 1.0 3.28 4.00 1307 1127 A 18 THR HG2% A 17 GLU H 1.0 4.95 6.05 1308 1128 A 16 ASP H A 17 GLU H 1.0 4.21 5.15 1309 1129 A 19 ILE H A 17 GLU H 1.0 4.49 5.49 1310 1130 A 17 GLU H A 16 ASP HBx 1.0 3.47 4.25 1311 1131 A 26 ASP H A 24 LEU HA 1.0 4.95 6.05 1312 1132 A 26 ASP H A 25 TYR HBy 1.0 3.55 4.35 1313 1133 A 66 LEU H A 68 ASN H 1.0 4.39 5.37 1314 1134 A 25 TYR H A 22 LYS H 1.0 4.64 5.68 1315 1135 A 22 LYS H A 22 LYS HD2 1.0 4.81 5.87 1316 1135 A 22 LYS HDy A 22 LYS H 1.0 4.81 5.87 1317 1136 A 37 ILE HG2% A 22 LYS H 1.0 4.95 6.05 1318 1137 A 57 VAL H A 58 GLU H 1.0 3.67 4.49 1319 1138 A 36 ASN H A 57 VAL H 1.0 4.95 6.05 1320 1139 A 57 VAL H A 33 ASP HB2 1.0 4.91 6.01 1321 1139 A 57 VAL H A 33 ASP HBy 1.0 4.91 6.01 1322 1140 A 4 ASN H A 82 ASN HD22 1.0 4.95 6.05 1323 1141 A 4 ASN H A 6 ALA H 1.0 4.55 5.57 1324 1142 A 82 ASN HBy A 4 ASN H 1.0 3.68 4.50 1325 1143 A 4 ASN H A 4 ASN HB2 1.0 3.59 4.39 1326 1143 A 4 ASN H A 4 ASN HBy 1.0 3.59 4.39 1327 1144 A 57 VAL H A 56 TYR HD% 1.0 4.95 6.05 1328 1145 A 4 ASN H A 3 ASP H 1.0 3.16 3.86 1329 1146 A 4 ASN H A 3 ASP HA 1.0 3.21 3.93 1330 1147 A 24 LEU H A 22 LYS H 1.0 4.42 5.40 1331 1148 A 24 LEU H A 19 ILE HA 1.0 4.93 6.03 1332 1149 A 23 SER HBy A 24 LEU H 1.0 3.83 4.69 1333 1150 A 24 LEU H A 25 TYR HBy 1.0 4.95 6.05 1334 1151 A 24 LEU H A 19 ILE HB 1.0 3.88 4.74 1335 1152 A 24 LEU H A 22 LYS HD2 1.0 4.63 5.65 1336 1152 A 22 LYS HDy A 24 LEU H 1.0 4.63 5.65 1337 1153 A 19 ILE HG2% A 24 LEU H 1.0 4.53 5.53 1338 1154 A 56 TYR HBx A 58 GLU H 1.0 4.28 5.22 1339 1155 A 23 SER H A 21 GLU H 1.0 4.83 5.91 1340 1156 A 59 VAL H A 60 ASP H 1.0 3.24 3.96 1341 1157 A 61 ASP H A 60 ASP H 1.0 3.18 3.88 1342 1158 A 58 GLU HA A 60 ASP H 1.0 4.77 5.83 1343 1159 A 60 ASP H A 58 GLU HGx 1.0 4.43 5.41 1344 1160 A 60 ASP H A 58 GLU HBy 1.0 3.76 4.60 1345 1161 A 56 TYR HA A 58 GLU H 1.0 4.95 6.05 1346 1162 A 58 GLU H A 56 TYR HD% 1.0 4.51 5.51 1347 1163 A 21 GLU H A 22 LYS H 1.0 3.49 4.27 1348 1164 A 21 GLU H A 22 LYS HE2 1.0 3.97 4.85 1349 1164 A 21 GLU H A 22 LYS HEy 1.0 3.97 4.85 1350 1165 A 21 GLU HGx A 21 GLU H 1.0 3.75 4.59 1351 1166 A 6 ALA H A 5 ASN H 1.0 3.17 3.87 1352 1167 A 5 ASN H A 5 ASN HB2 1.0 3.44 4.20 1353 1167 A 5 ASN HBy A 5 ASN H 1.0 3.44 4.20 1354 1168 A 6 ALA HB% A 5 ASN H 1.0 4.95 6.05 1355 1169 A 84 SER H A 11 PHE H 1.0 4.34 5.30 1356 1170 A 84 SER H A 9 ILE H 1.0 4.95 6.05 1357 1171 A 84 SER H A 83 TYR HD% 1.0 4.60 5.62 1358 1172 A 84 SER H A 7 THR H 1.0 4.91 6.01 1359 1173 A 84 SER H A 11 PHE HBx 1.0 4.68 5.72 1360 1173 A 84 SER H A 11 PHE HB3 1.0 4.68 5.72 1361 1174 A 84 SER H A 9 ILE HB 1.0 4.95 6.05 1362 1175 A 9 ILE H A 10 LEU HA 1.0 4.95 6.05 1363 1176 A 9 ILE H A 8 ASP HBx 1.0 4.95 6.05 1364 1177 A 9 ILE H A 10 LEU H 1.0 4.54 5.54 1365 1178 A 9 ILE H A 8 ASP HBy 1.0 4.95 6.05 1366 1179 A 47 LYS H A 48 ASN H 1.0 4.10 5.02 1367 1180 A 48 ASN HD21 A 48 ASN H 1.0 4.27 5.21 1368 1181 A 17 GLU HA A 48 ASN H 1.0 4.95 6.05 1369 1182 A 48 ASN H A 47 LYS HD2 1.0 4.16 5.08 1370 1182 A 47 LYS HDy A 48 ASN H 1.0 4.16 5.08 1371 1183 A 48 ASN H A 49 ARG HGy 1.0 4.95 6.05 1372 1184 A 48 ASN H A 41 LEU HD2% 1.0 4.88 5.96 1373 1185 A 9 ILE H A 56 TYR HBy 1.0 4.95 6.05 1374 1186 A 9 ILE H A 55 GLU HGy 1.0 4.95 6.05 1375 1187 A 9 ILE H A 7 THR H 1.0 4.88 5.96 1376 1188 A 49 ARG H A 48 ASN H 1.0 4.09 4.99 1377 1189 A 47 LYS HA A 48 ASN H 1.0 3.19 3.89 1378 1190 A 41 LEU HD1% A 48 ASN H 1.0 4.46 5.46 1379 1191 A 71 ASN HD21 A 70 ASN H 1.0 4.29 5.25 1380 1192 A 69 MET H A 70 ASN H 1.0 3.22 3.94 1381 1193 A 70 ASN H A 71 ASN HD22 1.0 4.95 6.05 1382 1194 A 70 ASN H A 69 MET HB2 1.0 4.26 5.20 1383 1194 A 69 MET HBy A 70 ASN H 1.0 4.26 5.20 1384 1195 A 66 LEU H A 64 HIS H 1.0 4.69 5.73 1385 1196 A 64 HIS H A 65 ALA H 1.0 3.20 3.90 1386 1197 A 63 LYS H A 64 HIS H 1.0 3.31 4.05 1387 1198 A 62 ALA H A 64 HIS H 1.0 4.22 5.16 1388 1199 A 64 HIS H A 63 LYS HBx 1.0 3.64 4.46 1389 1199 A 64 HIS H A 63 LYS HB3 1.0 3.64 4.46 1390 1200 A 64 HIS H A 63 LYS HD2 1.0 4.52 5.52 1391 1200 A 63 LYS HDy A 64 HIS H 1.0 4.52 5.52 1392 1201 A 47 LYS H A 42 ASN H 1.0 3.60 4.40 1393 1202 A 46 LYS H A 47 LYS H 1.0 3.18 3.88 1394 1203 A 47 LYS H A 41 LEU HD1% 1.0 4.95 6.05 1395 1204 A 64 HIS H A 64 HIS HD2 1.0 4.44 5.42 1396 1205 A 28 PHE H A 34 ILE HD1% 1.0 4.95 6.05 1397 1206 A 28 PHE H A 26 ASP H 1.0 4.02 4.92 1398 1207 A 28 PHE H A 27 ILE H 1.0 3.22 3.94 1399 1208 A 49 ARG H A 47 LYS HD2 1.0 4.95 6.05 1400 1208 A 47 LYS HDy A 49 ARG H 1.0 4.95 6.05 1401 1209 A 49 ARG H A 49 ARG HGy 1.0 4.95 6.05 1402 1210 A 49 ARG H A 49 ARG HGx 1.0 4.44 5.42 1403 1211 A 49 ARG H A 41 LEU HD1% 1.0 4.95 6.05 1404 1212 A 49 ARG H A 48 ASN HBy 1.0 4.44 5.42 1405 1213 A 1 MET HBy A 2 SER H 1.0 4.92 6.02 1406 1214 A 3 ASP H A 2 SER H 1.0 4.03 4.93 1407 1215 A 48 ASN HD21 A 41 LEU HD2% 1.0 4.95 6.05 1408 1216 A 48 ASN HD21 A 17 GLU HB2 1.0 4.95 6.05 1409 1216 A 48 ASN HD21 A 17 GLU HBy 1.0 4.95 6.05 1410 1217 A 57 VAL H A 33 ASP H 1.0 4.76 5.82 1411 1218 A 33 ASP H A 57 VAL HG1% 1.0 4.95 6.05 1412 1219 A 63 LYS H A 60 ASP H 1.0 4.72 5.78 1413 1220 A 62 ALA H A 63 LYS H 1.0 3.33 4.07 1414 1221 A 7 THR HA A 63 LYS H 1.0 3.78 4.62 1415 1222 A 63 LYS H A 56 TYR HBy 1.0 4.95 6.05 1416 1223 A 63 LYS H A 63 LYS HD2 1.0 3.62 4.42 1417 1223 A 63 LYS HDy A 63 LYS H 1.0 3.62 4.42 1418 1224 A 63 LYS H A 63 LYS HBx 1.0 3.20 3.92 1419 1224 A 63 LYS H A 63 LYS HB3 1.0 3.20 3.92 1420 1225 A 63 LYS H A 63 LYS HG2 1.0 4.95 6.05 1421 1225 A 63 LYS H A 63 LYS HGy 1.0 4.95 6.05 1422 1226 A 66 LEU H A 67 TYR H 1.0 3.35 4.09 1423 1227 A 67 TYR H A 65 ALA H 1.0 4.86 5.94 1424 1228 A 67 TYR H A 68 ASN H 1.0 3.36 4.10 1425 1229 A 65 ALA HB% A 67 TYR H 1.0 4.95 6.05 1426 1230 A 10 LEU HD2% A 67 TYR H 1.0 4.95 6.05 1427 1231 A 28 PHE H A 30 SER H 1.0 4.39 5.37 1428 1232 A 30 SER H A 31 PHE H 1.0 3.15 3.85 1429 1233 A 30 SER H A 31 PHE HA 1.0 4.90 5.98 1430 1234 A 29 SER HBx A 30 SER H 1.0 4.95 6.05 1431 1235 A 30 SER H A 34 ILE HD1% 1.0 4.95 6.05 1432 1236 A 33 ASP H A 56 TYR HD% 1.0 4.89 5.97 1433 1237 A 33 ASP H A 58 GLU HGy 1.0 4.95 6.05 1434 1238 A 57 VAL HG2% A 33 ASP H 1.0 4.95 6.05 1435 1239 A 46 LYS H A 42 ASN HBy 1.0 4.75 5.81 1436 1240 A 46 LYS H A 41 LEU HD1% 1.0 4.95 6.05 1437 1241 A 46 LYS H A 43 MET H 1.0 4.95 6.05 1438 1242 A 46 LYS H A 45 THR H 1.0 2.70 3.30 1439 1243 A 31 PHE H A 32 GLY H 1.0 2.84 3.48 1440 1244 A 31 PHE H A 29 SER HA 1.0 4.05 4.95 1441 1245 A 31 PHE H A 65 ALA HB% 1.0 4.95 6.05 1442 1246 A 54 VAL H A 53 PHE H 1.0 4.66 5.70 1443 1247 A 53 PHE H A 38 GLU HBy 1.0 4.18 5.12 1444 1248 A 53 PHE H A 38 GLU HGy 1.0 4.77 5.83 1445 1249 A 37 ILE HG2% A 53 PHE H 1.0 4.95 6.05 1446 1250 A 67 TYR H A 69 MET H 1.0 4.53 5.53 1447 1251 A 68 ASN H A 69 MET H 1.0 3.24 3.96 1448 1252 A 69 MET H A 69 MET HG2 1.0 3.72 4.54 1449 1252 A 69 MET H A 69 MET HGy 1.0 3.72 4.54 1450 1253 A 23 SER H A 22 LYS H 1.0 2.93 3.59 1451 1254 A 23 SER H A 24 LEU H 1.0 3.08 3.76 1452 1255 A 23 SER H A 22 LYS HD2 1.0 4.67 5.71 1453 1255 A 23 SER H A 22 LYS HDy 1.0 4.67 5.71 1454 1256 A 23 SER H A 19 ILE HG2% 1.0 4.91 6.01 1455 1257 A 23 SER H A 26 ASP H 1.0 4.66 5.70 1456 1258 A 23 SER HBy A 27 ILE H 1.0 4.68 5.72 1457 1259 A 27 ILE HD1% A 27 ILE H 1.0 4.35 5.31 1458 1260 A 69 MET H A 67 TYR HBx 1.0 4.95 6.05 1459 1261 A 8 ASP H A 9 ILE H 1.0 3.22 3.94 1460 1262 A 8 ASP H A 7 THR H 1.0 4.18 5.10 1461 1263 A 8 ASP H A 56 TYR HBy 1.0 4.38 5.36 1462 1264 A 8 ASP H A 56 TYR HBx 1.0 4.38 5.36 1463 1265 A 9 ILE HG1y A 8 ASP H 1.0 4.95 6.05 1464 1266 A 8 ASP H A 7 THR HG2% 1.0 4.04 4.94 1465 1267 A 8 ASP H A 59 VAL HB 1.0 4.86 5.94 1466 1268 A 24 LEU H A 27 ILE H 1.0 4.40 5.38 1467 1269 A 69 MET HA A 71 ASN HD22 1.0 4.95 6.05 1468 1270 A 44 THR H A 43 MET H 1.0 3.31 4.05 1469 1271 A 46 LYS H A 44 THR H 1.0 3.30 4.04 1470 1272 A 45 THR H A 44 THR H 1.0 2.84 3.48 1471 1273 A 44 THR H A 42 ASN HBy 1.0 4.95 6.05 1472 1274 A 36 ASN H A 56 TYR HA 1.0 4.95 6.05 1473 1275 A 35 ARG H A 36 ASN H 1.0 3.15 3.85 1474 1276 A 55 GLU H A 36 ASN H 1.0 3.77 4.61 1475 1277 A 36 ASN H A 55 GLU HGy 1.0 4.95 6.05 1476 1278 A 68 ASN H A 66 LEU HBx 1.0 4.95 6.05 1477 1279 A 51 PHE H A 48 ASN HD22 1.0 4.19 5.13 1478 1280 A 51 PHE H A 51 PHE HD% 1.0 3.86 4.72 1479 1281 A 51 PHE H A 14 GLY HAy 1.0 4.95 6.05 1480 1282 A 52 ALA HB% A 51 PHE H 1.0 4.95 6.05 1481 1283 A 51 PHE H A 39 VAL HG11 1.0 4.78 5.84 1482 1283 A 39 VAL HG2% A 51 PHE H 1.0 4.78 5.84 1483 1284 A 51 PHE H A 49 ARG H 1.0 4.28 5.24 1484 1285 A 51 PHE H A 48 ASN HBx 1.0 4.95 6.05 1485 1286 A 51 PHE H A 49 ARG HGx 1.0 4.95 6.05 1486 1287 A 51 PHE H A 15 ILE HD1% 1.0 4.95 6.05 1487 1288 A 71 ASN H A 70 ASN HD22 1.0 4.95 6.05 1488 1289 A 36 ASN HBy A 36 ASN HD21 1.0 3.48 4.26 1489 1290 A 55 GLU HBy A 36 ASN HD21 1.0 4.95 6.05 1490 1291 A 65 ALA HA A 68 ASN HD21 1.0 4.95 6.05 1491 1292 A 69 MET HA A 68 ASN HD21 1.0 3.63 4.43 1492 1293 A 69 MET HA A 68 ASN HD22 1.0 4.01 4.91 1493 1294 A 4 ASN HD22 A 3 ASP HA 1.0 4.95 6.05 1494 1295 A 75 ASN H A 75 ASN HD21 1.0 4.95 6.05 1495 1296 A 74 LEU HD2% A 75 ASN HD21 1.0 4.51 5.51 1496 1297 A 19 ILE HD1% A 75 ASN HD21 1.0 4.63 5.65 1497 1298 A 83 TYR H A 4 ASN HD21 1.0 4.95 6.05 1498 1299 A 83 TYR HD% A 4 ASN HD21 1.0 4.95 6.05 1499 1300 A 82 ASN HA A 4 ASN HD21 1.0 4.38 5.36 1500 1301 A 83 TYR HD% A 7 THR H 1.0 4.00 4.88 1501 1302 A 82 ASN HA A 4 ASN HD22 1.0 4.30 5.26 1502 1303 A 7 THR H A 63 LYS HG2 1.0 4.95 6.05 1503 1303 A 7 THR H A 63 LYS HGy 1.0 4.95 6.05 1504 1304 A 7 THR H A 9 ILE HG2% 1.0 4.95 6.05 1505 1305 A 74 LEU HD2% A 75 ASN HD22 1.0 4.64 5.68 1506 1306 A 19 ILE HD1% A 75 ASN HD22 1.0 4.74 5.80 1507 1307 A 75 ASN H A 75 ASN HD22 1.0 4.95 6.05 1508 1308 A 75 ASN HA A 75 ASN HD22 1.0 4.95 6.05 1509 1309 A 75 ASN HA A 75 ASN HD21 1.0 4.80 5.86 1510 1310 A 82 ASN H A 4 ASN HD21 1.0 4.95 6.05 1511 1311 A 13 GLY H A 12 VAL H 1.0 4.85 5.93 1512 1312 A 13 GLY H A 51 PHE HA 1.0 4.72 5.78 1513 1313 A 13 GLY H A 81 VAL HG1% 1.0 4.49 5.49 1514 1314 A 13 GLY H A 15 ILE HG2% 1.0 4.71 5.75 1515 1315 A 13 GLY H A 11 PHE HE% 1.0 4.95 6.05 1516 1316 A 18 THR HB A 18 THR H 1.0 3.64 4.44 1517 1317 A 16 ASP HBy A 18 THR H 1.0 4.87 5.95 1518 1318 A 16 ASP HBx A 18 THR H 1.0 4.84 5.92 1519 1319 A 18 THR H A 17 GLU HB2 1.0 4.81 5.87 1520 1319 A 17 GLU HBy A 18 THR H 1.0 4.81 5.87 1521 1320 A 18 THR H A 19 ILE HG1x 1.0 4.95 6.05 1522 1320 A 18 THR H A 19 ILE HG13 1.0 4.95 6.05 1523 1321 A 74 LEU HA A 15 ILE H 1.0 4.90 5.98 1524 1322 A 15 ILE H A 50 GLY H 1.0 4.95 6.05 1525 1323 A 15 ILE H A 19 ILE HG1x 1.0 4.39 5.37 1526 1323 A 19 ILE HG13 A 15 ILE H 1.0 4.39 5.37 1527 1324 A 45 THR H A 46 LYS HA 1.0 4.83 5.91 1528 1325 A 45 THR H A 42 ASN HBy 1.0 4.58 5.60 1529 1326 A 45 THR H A 42 ASN H 1.0 4.95 6.05 1530 1327 A 45 THR H A 42 ASN HBx 1.0 4.95 6.05 1531 1328 A 45 THR H A 43 MET HBy 1.0 4.95 6.05 1532 1328 A 45 THR H A 43 MET HBx 1.0 4.95 6.05 1533 1329 A 49 ARG H A 50 GLY H 1.0 3.44 4.20 1534 1330 A 48 ASN HD21 A 50 GLY H 1.0 4.95 6.05 1535 1331 A 51 PHE H A 50 GLY H 1.0 3.27 3.99 1536 1332 A 48 ASN HBy A 50 GLY H 1.0 4.54 5.54 1537 1333 A 48 ASN HBx A 50 GLY H 1.0 4.80 5.86 1538 1334 A 49 ARG HGx A 50 GLY H 1.0 4.78 5.84 1539 1335 A 48 ASN H A 50 GLY H 1.0 4.42 5.40 1540 1336 A 49 ARG HBx A 50 GLY H 1.0 4.79 5.85 1541 1337 A 52 ALA H A 14 GLY H 1.0 4.95 6.05 1542 1338 A 13 GLY H A 14 GLY H 1.0 4.53 5.53 1543 1339 A 14 GLY H A 15 ILE HG2% 1.0 4.95 6.05 1544 1340 A 14 GLY H A 15 ILE HD1% 1.0 4.95 6.05 1545 1341 A 32 GLY H A 33 ASP H 1.0 3.82 4.68 1546 1342 A 32 GLY H A 33 ASP HA 1.0 4.18 5.12 1547 1343 A 29 SER H A 32 GLY H 1.0 4.95 6.05 1548 1344 A 34 ILE HD1% A 32 GLY H 1.0 4.95 6.05 1549 1345 A 75 ASN H A 76 GLY H 1.0 3.36 4.10 1550 1346 A 77 LYS H A 76 GLY H 1.0 3.22 3.94 1551 1347 A 76 GLY H A 77 LYS HBy 1.0 4.66 5.70 1552 1348 A 76 GLY H A 73 GLU HBx 1.0 4.95 6.05 1553 1349 A 76 GLY H A 75 ASN HBy 1.0 4.67 5.71 1554 1350 A 59 VAL HG1% A 7 THR HB 1.0 4.68 5.72 1555 1351 A 86 THR HB A 9 ILE HG2% 1.0 4.65 5.69 1556 1352 A 45 THR HB A 47 LYS HG2 1.0 4.09 4.99 1557 1352 A 45 THR HB A 47 LYS HGy 1.0 4.09 4.99 1558 1353 A 44 THR HB A 45 THR HG2% 1.0 3.53 4.31 1559 1354 A 59 VAL HA A 8 ASP HBx 1.0 3.79 4.63 1560 1355 A 44 THR HA A 45 THR HG2% 1.0 4.37 5.33 1561 1356 A 44 THR HA A 43 MET HBy 1.0 4.18 5.12 1562 1356 A 44 THR HA A 43 MET HBx 1.0 4.18 5.12 1563 1357 A 9 ILE HD1% A 84 SER HB2 1.0 4.19 5.13 1564 1357 A 84 SER HBy A 9 ILE HD1% 1.0 4.19 5.13 1565 1358 A 53 PHE HE% A 84 SER HB2 1.0 4.07 4.97 1566 1358 A 84 SER HBy A 53 PHE HE% 1.0 4.07 4.97 1567 1359 A 0 HIS HBy A -1 SER HB2 1.0 3.42 4.18 1568 1359 A 0 HIS HBy A -1 SER HBy 1.0 3.42 4.18 1569 1360 A 40 PRO HA A 41 LEU HD2% 1.0 4.82 5.90 1570 1361 A 23 SER HBy A 24 LEU HD2% 1.0 4.08 4.98 1571 1362 A 29 SER HBx A 34 ILE HD1% 1.0 4.26 5.20 1572 1363 A 23 SER HBy A 23 SER HA 1.0 2.57 3.15 1573 1364 A 54 VAL HA A 37 ILE HD1% 1.0 3.88 4.74 1574 1365 A 34 ILE HG1y A 29 SER HA 1.0 3.79 4.63 1575 1366 A 9 ILE HD1% A 9 ILE HA 1.0 3.74 4.58 1576 1367 A 54 VAL HA A 37 ILE HA 1.0 2.94 3.60 1577 1368 A 21 GLU HA A 22 LYS HD2 1.0 4.59 5.61 1578 1368 A 22 LYS HDy A 21 GLU HA 1.0 4.59 5.61 1579 1369 A 15 ILE HA A 15 ILE HG2% 1.0 3.15 3.85 1580 1370 A 15 ILE HA A 15 ILE HD1% 1.0 4.02 4.92 1581 1371 A 81 VAL HA A 81 VAL HG1% 1.0 3.22 3.94 1582 1372 A 81 VAL HA A 12 VAL HG1% 1.0 4.58 5.60 1583 1373 A 79 ILE HA A 79 ILE HG1x 1.0 3.20 3.90 1584 1373 A 79 ILE HA A 79 ILE HG13 1.0 3.20 3.90 1585 1374 A 12 VAL HA A 81 VAL HG2% 1.0 3.84 4.70 1586 1375 A 12 VAL HA A 81 VAL HA 1.0 3.09 3.77 1587 1376 A 34 ILE HG1x A 34 ILE HA 1.0 3.81 4.65 1588 1377 A 34 ILE HA A 56 TYR HD% 1.0 4.28 5.24 1589 1378 A 56 TYR HA A 56 TYR HD% 1.0 3.86 4.72 1590 1379 A 34 ILE HA A 56 TYR HA 1.0 3.01 3.67 1591 1380 A 7 THR HA A 7 THR HG2% 1.0 3.21 3.93 1592 1381 A 7 THR HA A 59 VAL HG1% 1.0 4.11 5.03 1593 1382 A 83 TYR HA A 83 TYR HD% 1.0 3.19 3.89 1594 1383 A 83 TYR HA A 10 LEU HA 1.0 3.73 4.55 1595 1384 A 83 TYR HA A 10 LEU HD2% 1.0 3.79 4.63 1596 1385 A 25 TYR HD% A 22 LYS HA 1.0 4.22 5.16 1597 1386 A 21 GLU HA A 22 LYS HA 1.0 4.37 5.33 1598 1387 A 22 LYS HA A 25 TYR HBy 1.0 3.29 4.03 1599 1388 A 22 LYS HA A 22 LYS HG2 1.0 3.55 4.35 1600 1388 A 22 LYS HA A 22 LYS HGy 1.0 3.55 4.35 1601 1389 A 64 HIS HA A 67 TYR HBy 1.0 3.73 4.55 1602 1390 A 17 GLU HA A 48 ASN HD22 1.0 4.36 5.32 1603 1391 A 84 SER HA A 11 PHE HBx 1.0 4.08 4.98 1604 1391 A 11 PHE HB3 A 84 SER HA 1.0 4.08 4.98 1605 1392 A 60 ASP HA A 63 LYS HBx 1.0 3.43 4.19 1606 1392 A 60 ASP HA A 63 LYS HB3 1.0 3.43 4.19 1607 1393 A 57 VAL HG2% A 35 ARG HA 1.0 3.64 4.46 1608 1394 A 35 ARG HA A 35 ARG HD2 1.0 3.79 4.63 1609 1394 A 35 ARG HDy A 35 ARG HA 1.0 3.79 4.63 1610 1395 A 46 LYS HA A 41 LEU HBx 1.0 3.61 4.41 1611 1396 A 53 PHE HD% A 53 PHE HA 1.0 3.88 4.74 1612 1397 A 53 PHE HA A 11 PHE HBx 1.0 3.67 4.49 1613 1397 A 11 PHE HB3 A 53 PHE HA 1.0 3.67 4.49 1614 1398 A 85 LYS HA A 85 LYS HD2 1.0 4.07 4.97 1615 1398 A 85 LYS HA A 85 LYS HDy 1.0 4.07 4.97 1616 1399 A 78 ARG HA A 78 ARG HG2 1.0 3.47 4.23 1617 1399 A 78 ARG HA A 78 ARG HGy 1.0 3.47 4.23 1618 1400 A 1 MET HA A 1 MET HGy 1.0 3.33 4.07 1619 1401 A 49 ARG HA A 49 ARG HGy 1.0 3.55 4.33 1620 1402 A 73 GLU HA A 73 GLU HGx 1.0 3.44 4.20 1621 1403 A 78 ARG HA A 73 GLU HA 1.0 2.81 3.43 1622 1404 A 51 PHE HA A 11 PHE HD% 1.0 4.65 5.69 1623 1405 A 62 ALA HA A 56 TYR HD% 1.0 3.82 4.68 1624 1406 A 56 TYR HE% A 62 ALA HA 1.0 3.86 4.72 1625 1407 A 65 ALA HA A 64 HIS HBx 1.0 3.99 4.87 1626 1408 A 65 ALA HA A 68 ASN HBy 1.0 3.85 4.71 1627 1409 A 47 LYS HA A 41 LEU HD1% 1.0 4.09 4.99 1628 1410 A 80 HIS HA A 70 ASN HB2 1.0 4.48 5.48 1629 1410 A 80 HIS HA A 70 ASN HBy 1.0 4.48 5.48 1630 1411 A 9 ILE HA A 55 GLU HA 1.0 3.00 3.66 1631 1412 A 80 HIS HA A 79 ILE HD1% 1.0 4.46 5.46 1632 1413 A 55 GLU HA A 55 GLU HGx 1.0 3.40 4.16 1633 1414 A 58 GLU HA A 61 ASP HBy 1.0 4.41 5.39 1634 1415 A 58 GLU HA A 58 GLU HGx 1.0 3.67 4.49 1635 1416 A 48 ASN HA A 41 LEU HD2% 1.0 3.10 3.78 1636 1417 A 8 ASP HA A 59 VAL HG2% 1.0 4.66 5.70 1637 1418 A 10 LEU HD2% A 10 LEU HA 1.0 3.40 4.16 1638 1419 A 82 ASN HA A 66 LEU HD2% 1.0 3.11 3.79 1639 1420 A 82 ASN HA A 81 VAL HG1% 1.0 3.87 4.73 1640 1421 A 20 ASP HA A 39 VAL HG11 1.0 4.00 4.88 1641 1421 A 39 VAL HG2% A 20 ASP HA 1.0 4.00 4.88 1642 1422 A 40 PRO HDy A 38 GLU HA 1.0 3.93 4.81 1643 1423 A 40 PRO HDx A 52 ALA HA 1.0 3.80 4.64 1644 1424 A 51 PHE HD% A 50 GLY HAy 1.0 4.77 5.83 1645 1425 A 14 GLY HAy A 15 ILE HG1x 1.0 4.11 5.03 1646 1425 A 14 GLY HAy A 15 ILE HG13 1.0 4.11 5.03 1647 1426 A 15 ILE HD1% A 14 GLY HAx 1.0 4.58 5.60 1648 1427 A 41 LEU HBx A 46 LYS HG2 1.0 3.38 4.14 1649 1427 A 46 LYS HGy A 41 LEU HBx 1.0 3.38 4.14 1650 1428 A 32 GLY HAx A 56 TYR HD% 1.0 4.57 5.59 1651 1429 A 73 GLU HA A 78 ARG HD2 1.0 4.02 4.92 1652 1429 A 73 GLU HA A 78 ARG HDy 1.0 4.02 4.92 1653 1430 A 20 ASP HBx A 22 LYS HE2 1.0 3.40 4.16 1654 1430 A 20 ASP HBx A 22 LYS HEy 1.0 3.40 4.16 1655 1431 A 51 PHE HBy A 50 GLY HAx 1.0 4.24 5.18 1656 1432 A 9 ILE HG2% A 53 PHE HBx 1.0 4.55 5.57 1657 1433 A 24 LEU HBx A 54 VAL HG2% 1.0 4.34 5.30 1658 1434 A 63 LYS HA A 63 LYS HE2 1.0 4.46 5.46 1659 1434 A 63 LYS HA A 63 LYS HEy 1.0 4.46 5.46 1660 1435 A 32 GLY HAy A 33 ASP HB2 1.0 4.42 5.40 1661 1435 A 33 ASP HBy A 32 GLY HAy 1.0 4.42 5.40 1662 1436 A 57 VAL HG2% A 33 ASP HB2 1.0 3.36 4.10 1663 1436 A 57 VAL HG2% A 33 ASP HBy 1.0 3.36 4.10 1664 1437 A 62 ALA HB% A 56 TYR HBy 1.0 4.28 5.24 1665 1438 A 33 ASP HA A 34 ILE HB 1.0 4.22 5.16 1666 1439 A 56 TYR HE% A 31 PHE HBy 1.0 4.44 5.42 1667 1440 A 56 TYR HD% A 31 PHE HBx 1.0 4.55 5.57 1668 1441 A 24 LEU HA A 27 ILE HB 1.0 3.73 4.57 1669 1442 A 25 TYR HBx A 37 ILE HD1% 1.0 4.95 6.05 1670 1443 A 41 LEU HA A 48 ASN HBy 1.0 4.36 5.32 1671 1444 A 41 LEU HD2% A 48 ASN HBy 1.0 4.23 5.17 1672 1445 A 74 LEU HA A 73 GLU HGx 1.0 4.22 5.16 1673 1446 A 18 THR HG2% A 17 GLU HGy 1.0 4.37 5.33 1674 1447 A 9 ILE HA A 55 GLU HGy 1.0 4.81 5.87 1675 1448 A 18 THR HB A 17 GLU HGx 1.0 4.28 5.22 1676 1449 A 53 PHE HD% A 38 GLU HGx 1.0 4.36 5.32 1677 1450 A 9 ILE HA A 55 GLU HGx 1.0 4.59 5.61 1678 1451 A 47 LYS HBx A 47 LYS HD2 1.0 2.84 3.48 1679 1451 A 47 LYS HB3 A 47 LYS HD2 1.0 2.84 3.48 1680 1451 A 47 LYS HDy A 47 LYS HBx 1.0 2.84 3.48 1681 1451 A 47 LYS HDy A 47 LYS HB3 1.0 2.84 3.48 1682 1452 A 66 LEU HA A 81 VAL HB 1.0 4.39 5.37 1683 1453 A 77 LYS HBx A 77 LYS HD2 1.0 2.47 3.01 1684 1453 A 77 LYS HBx A 77 LYS HDy 1.0 2.47 3.01 1685 1454 A 85 LYS HBx A 85 LYS HG2 1.0 2.63 3.21 1686 1454 A 85 LYS HGy A 85 LYS HBx 1.0 2.63 3.21 1687 1455 A 81 VAL HG2% A 12 VAL HB 1.0 3.87 4.73 1688 1456 A 63 LYS HBx A 63 LYS HD2 1.0 2.65 3.23 1689 1456 A 63 LYS HB3 A 63 LYS HD2 1.0 2.65 3.23 1690 1456 A 63 LYS HDy A 63 LYS HBx 1.0 2.65 3.23 1691 1456 A 63 LYS HDy A 63 LYS HB3 1.0 2.65 3.23 1692 1457 A 57 VAL HB A 33 ASP HB2 1.0 3.44 4.20 1693 1457 A 33 ASP HBy A 57 VAL HB 1.0 3.44 4.20 1694 1458 A 36 ASN HBy A 35 ARG HBy 1.0 4.06 4.96 1695 1459 A 35 ARG HBx A 35 ARG HD2 1.0 3.73 4.57 1696 1459 A 35 ARG HDy A 35 ARG HBx 1.0 3.73 4.57 1697 1460 A 59 VAL HA A 63 LYS HD2 1.0 4.49 5.49 1698 1460 A 59 VAL HA A 63 LYS HDy 1.0 4.49 5.49 1699 1461 A 37 ILE HG2% A 21 GLU HBy 1.0 4.06 4.96 1700 1462 A 34 ILE HG1y A 33 ASP HA 1.0 3.55 4.33 1701 1463 A 24 LEU HA A 27 ILE HG1x 1.0 4.17 5.09 1702 1463 A 27 ILE HG13 A 24 LEU HA 1.0 4.17 5.09 1703 1464 A 27 ILE HG2% A 27 ILE HG1x 1.0 3.36 4.10 1704 1464 A 27 ILE HG13 A 27 ILE HG2% 1.0 3.36 4.10 1705 1465 A 56 TYR HD% A 10 LEU HG 1.0 4.59 5.61 1706 1466 A 56 TYR HE% A 10 LEU HG 1.0 3.84 4.70 1707 1467 A 23 SER HBy A 24 LEU HD1% 1.0 4.90 5.98 1708 1468 A 37 ILE HG2% A 24 LEU HD1% 1.0 3.60 4.40 1709 1469 A 16 ASP HBy A 19 ILE HG1x 1.0 4.12 5.04 1710 1469 A 16 ASP HBy A 19 ILE HG13 1.0 4.12 5.04 1711 1470 A 15 ILE HA A 19 ILE HG1x 1.0 4.08 4.98 1712 1470 A 15 ILE HA A 19 ILE HG13 1.0 4.08 4.98 1713 1471 A 48 ASN HBx A 15 ILE HG1x 1.0 4.03 4.93 1714 1471 A 48 ASN HBx A 15 ILE HG13 1.0 4.03 4.93 1715 1472 A 19 ILE HG2% A 15 ILE HG1x 1.0 4.54 5.54 1716 1472 A 19 ILE HG2% A 15 ILE HG13 1.0 4.54 5.54 1717 1473 A 16 ASP HBx A 19 ILE HG1x 1.0 3.98 4.86 1718 1473 A 16 ASP HBx A 19 ILE HG13 1.0 3.98 4.86 1719 1474 A 41 LEU HD1% A 47 LYS HD2 1.0 3.40 4.16 1720 1474 A 47 LYS HDy A 41 LEU HD1% 1.0 3.40 4.16 1721 1475 A 66 LEU HD1% A 82 ASN HA 1.0 4.65 5.69 1722 1476 A 77 LYS HDy A 77 LYS HG2 1.0 2.16 2.64 1723 1476 A 77 LYS HD2 A 77 LYS HG2 1.0 2.16 2.64 1724 1476 A 77 LYS HGy A 77 LYS HD2 1.0 2.16 2.64 1725 1476 A 77 LYS HGy A 77 LYS HDy 1.0 2.16 2.64 1726 1477 A 10 LEU HA A 81 VAL HG1% 1.0 4.13 5.05 1727 1478 A 12 VAL HG2% A 81 VAL HG1% 1.0 3.48 4.26 1728 1479 A 66 LEU HD2% A 81 VAL HG1% 1.0 3.47 4.25 1729 1480 A 10 LEU HD2% A 9 ILE HB 1.0 3.56 4.36 1730 1481 A 10 LEU HD2% A 66 LEU HBy 1.0 3.15 3.85 1731 1482 A 56 TYR HA A 10 LEU HD1% 1.0 3.28 4.02 1732 1483 A 10 LEU HD2% A 62 ALA HA 1.0 4.95 6.05 1733 1484 A 27 ILE HB A 24 LEU HD2% 1.0 3.19 3.89 1734 1485 A 27 ILE HD1% A 24 LEU HD2% 1.0 3.12 3.82 1735 1486 A 57 VAL HG2% A 34 ILE HA 1.0 4.64 5.68 1736 1487 A 81 VAL HG2% A 72 PHE HE% 1.0 4.95 6.05 1737 1488 A 41 LEU HBx A 41 LEU HD2% 1.0 3.72 4.54 1738 1489 A 81 VAL HG2% A 70 ASN HB2 1.0 4.48 5.48 1739 1489 A 81 VAL HG2% A 70 ASN HBy 1.0 4.48 5.48 1740 1490 A 86 THR HG2% A 9 ILE HG2% 1.0 2.50 3.06 1741 1491 A 86 THR HG2% A 85 LYS HBy 1.0 4.64 5.68 1742 1492 A 9 ILE HD1% A 7 THR HG2% 1.0 3.41 4.17 1743 1493 A 57 VAL HG1% A 33 ASP HB2 1.0 4.01 4.89 1744 1493 A 57 VAL HG1% A 33 ASP HBy 1.0 4.01 4.89 1745 1494 A 12 VAL HG1% A 69 MET HB2 1.0 4.25 5.19 1746 1494 A 12 VAL HG1% A 69 MET HBy 1.0 4.25 5.19 1747 1495 A 20 ASP HBy A 39 VAL HG11 1.0 4.79 5.85 1748 1495 A 39 VAL HG2% A 20 ASP HBy 1.0 4.79 5.85 1749 1496 A 21 GLU HBx A 39 VAL HG11 1.0 4.07 4.97 1750 1496 A 39 VAL HG2% A 21 GLU HBx 1.0 4.07 4.97 1751 1497 A 54 VAL HG1% A 56 TYR HD% 1.0 4.81 5.87 1752 1498 A 54 VAL HG1% A 37 ILE HG1x 1.0 4.55 5.57 1753 1498 A 37 ILE HG13 A 54 VAL HG1% 1.0 4.55 5.57 1754 1499 A 7 THR HA A 59 VAL HG2% 1.0 3.95 4.83 1755 1500 A 8 ASP HBy A 59 VAL HG2% 1.0 4.54 5.56 1756 1501 A 65 ALA HB% A 61 ASP HA 1.0 4.61 5.63 1757 1502 A 54 VAL HG2% A 37 ILE HG1x 1.0 4.06 4.96 1758 1502 A 37 ILE HG13 A 54 VAL HG2% 1.0 4.06 4.96 1759 1503 A 79 ILE HG2% A 77 LYS HG2 1.0 3.25 3.97 1760 1503 A 79 ILE HG2% A 77 LYS HGy 1.0 3.25 3.97 1761 1504 A 19 ILE HG2% A 16 ASP HBx 1.0 4.19 5.13 1762 1505 A 62 ALA HB% A 56 TYR HD% 1.0 3.60 4.40 1763 1506 A 63 LYS HA A 62 ALA HB% 1.0 4.79 5.85 1764 1507 A 62 ALA HB% A 10 LEU HG 1.0 3.90 4.76 1765 1508 A 56 TYR HE% A 62 ALA HB% 1.0 4.74 5.80 1766 1509 A 9 ILE HD1% A 9 ILE HG2% 1.0 2.94 3.60 1767 1510 A 9 ILE HG2% A 11 PHE HBx 1.0 3.85 4.71 1768 1510 A 11 PHE HB3 A 9 ILE HG2% 1.0 3.85 4.71 1769 1511 A 34 ILE HG2% A 36 ASN HA 1.0 4.32 5.28 1770 1512 A 34 ILE HG1x A 34 ILE HG2% 1.0 3.59 4.39 1771 1513 A 34 ILE HG2% A 25 TYR HBx 1.0 4.95 6.05 1772 1514 A 37 ILE HG2% A 24 LEU HBy 1.0 4.15 5.07 1773 1515 A 37 ILE HD1% A 25 TYR HBy 1.0 4.52 5.52 1774 1516 A 27 ILE HD1% A 26 ASP HBy 1.0 4.56 5.58 1775 1517 A 24 LEU HD1% A 37 ILE HD1% 1.0 4.28 5.24 1776 1518 A 21 GLU HGx A 37 ILE HD1% 1.0 4.66 5.70 1777 1519 A 72 PHE HBy A 79 ILE HD1% 1.0 4.09 4.99 1778 1520 A 9 ILE HD1% A 8 ASP HBx 1.0 4.84 5.92 1779 1521 A 25 TYR HD% A 37 ILE HD1% 1.0 4.01 4.89 1780 1522 A 15 ILE HA A 79 ILE HD1% 1.0 4.58 5.60 1781 1523 A 79 ILE HA A 79 ILE HD1% 1.0 3.97 4.85 1782 1524 A 15 ILE HD1% A 48 ASN HBy 1.0 4.95 6.05 1783 1525 A 57 VAL HG2% A 34 ILE HD1% 1.0 4.95 6.05 1784 1526 A 34 ILE HD1% A 28 PHE HE% 1.0 4.62 5.64 1785 1527 A 19 ILE HD1% A 24 LEU HG 1.0 4.54 5.56 1786 1528 A 19 ILE HD1% A 15 ILE HD1% 1.0 4.03 4.93 1787 1529 A 19 ILE HD1% A 41 LEU HG 1.0 3.47 4.25 1788 1530 A 16 ASP HA A 19 ILE HD1% 1.0 4.71 5.75 1789 1531 A 13 GLY H A 80 HIS HBy 1.0 4.37 5.35 1790 1532 A 13 GLY H A 80 HIS H 1.0 3.80 4.64 1791 1533 A 13 GLY H A 80 HIS HBx 1.0 4.95 6.05 1792 1534 A 13 GLY H A 81 VAL HA 1.0 4.13 5.05 1793 1535 A 13 GLY H A 81 VAL HG2% 1.0 4.56 5.58 1794 1536 A 79 ILE HG2% A 14 GLY HAy 1.0 4.64 5.68 1795 1537 A 79 ILE HA A 14 GLY HAx 1.0 3.75 4.59 1796 1538 A 79 ILE HG2% A 14 GLY HAx 1.0 4.68 5.72 1797 1539 A 80 HIS H A 14 GLY HAx 1.0 4.33 5.29 1798 1540 A 79 ILE HG2% A 14 GLY H 1.0 4.95 6.05 1799 1541 A 51 PHE HA A 14 GLY H 1.0 4.09 4.99 1800 1542 A 15 ILE HA A 79 ILE HG2% 1.0 3.67 4.49 1801 1543 A 15 ILE HA A 77 LYS HD2 1.0 3.11 3.81 1802 1543 A 15 ILE HA A 77 LYS HDy 1.0 3.11 3.81 1803 1544 A 15 ILE HA A 77 LYS HE2 1.0 4.09 5.01 1804 1544 A 15 ILE HA A 77 LYS HEy 1.0 4.09 5.01 1805 1545 A 79 ILE HA A 15 ILE HG2% 1.0 4.21 5.15 1806 1546 A 15 ILE HG2% A 77 LYS HD2 1.0 3.01 3.67 1807 1546 A 77 LYS HDy A 15 ILE HG2% 1.0 3.01 3.67 1808 1547 A 80 HIS H A 15 ILE HG2% 1.0 4.95 6.05 1809 1548 A 79 ILE HG2% A 15 ILE H 1.0 4.06 4.96 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 9 ILE C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -130.2 -90.2 PHI 2 2 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 PHE N 1.0 105.9 145.9 PSI 3 3 A 10 LEU C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -129.5 -81.4 PHI 4 4 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 VAL N 1.0 97.5 143.0 PSI 5 5 A 11 PHE C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -129.6 -89.6 PHI 6 6 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 GLY N 1.0 105.1 145.1 PSI 7 7 A 12 VAL C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 -145.6 -61.0 PHI 8 8 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 GLY N 1.0 125.7 205.8 PSI 9 9 A 14 GLY C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -108.4 -58.4 PHI 10 10 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 ASP N 1.0 123.1 166.7 PSI 11 11 A 15 ILE C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -109.4 -41.6 PHI 12 12 A 16 ASP N A 16 ASP CA A 16 ASP C A 17 GLU N 1.0 104.2 183.6 PSI 13 13 A 16 ASP C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -87.9 -47.9 PHI 14 14 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 THR N 1.0 -37.6 2.4 PSI 15 15 A 17 GLU C A 18 THR N A 18 THR CA A 18 THR C 1.0 -107.5 -67.5 PHI 16 16 A 18 THR N A 18 THR CA A 18 THR C A 19 ILE N 1.0 -26.5 13.5 PSI 17 17 A 18 THR C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -103.2 -60.5 PHI 18 18 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 ASP N 1.0 73.5 155.0 PSI 19 19 A 19 ILE C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -155.9 -58.9 PHI 20 20 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 GLU N 1.0 149.6 189.6 PSI 21 21 A 20 ASP C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -79.6 -39.6 PHI 22 22 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 LYS N 1.0 -59.3 -19.3 PSI 23 23 A 21 GLU C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -83.5 -43.5 PHI 24 24 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 SER N 1.0 -60.7 -20.7 PSI 25 25 A 22 LYS C A 23 SER N A 23 SER CA A 23 SER C 1.0 -85.5 -45.5 PHI 26 26 A 23 SER N A 23 SER CA A 23 SER C A 24 LEU N 1.0 -60.0 -20.0 PSI 27 27 A 23 SER C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -87.7 -47.7 PHI 28 28 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 TYR N 1.0 -59.7 -19.7 PSI 29 29 A 24 LEU C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -79.8 -39.8 PHI 30 30 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 ASP N 1.0 -64.7 -24.7 PSI 31 31 A 25 TYR C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -84.1 -44.1 PHI 32 32 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 ILE N 1.0 -59.7 -19.7 PSI 33 33 A 26 ASP C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -87.0 -47.0 PHI 34 34 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 PHE N 1.0 -61.4 -21.4 PSI 35 35 A 27 ILE C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -86.4 -46.4 PHI 36 36 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 SER N 1.0 -56.9 -16.9 PSI 37 37 A 28 PHE C A 29 SER N A 29 SER CA A 29 SER C 1.0 -83.6 -43.6 PHI 38 38 A 29 SER N A 29 SER CA A 29 SER C A 30 SER N 1.0 -50.7 -10.7 PSI 39 39 A 29 SER C A 30 SER N A 30 SER CA A 30 SER C 1.0 -94.1 -54.1 PHI 40 40 A 30 SER N A 30 SER CA A 30 SER C A 31 PHE N 1.0 -42.7 -2.7 PSI 41 41 A 30 SER C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -108.5 -68.5 PHI 42 42 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 GLY N 1.0 -34.0 6.0 PSI 43 43 A 32 GLY C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -97.3 -51.8 PHI 44 44 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 ILE N 1.0 105.7 155.1 PSI 45 45 A 33 ASP C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -117.5 -77.5 PHI 46 46 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 ARG N 1.0 110.2 150.2 PSI 47 47 A 34 ILE C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -111.4 -62.9 PHI 48 48 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 ASN N 1.0 -67.8 -9.5 PSI 49 49 A 35 ARG C A 36 ASN N A 36 ASN CA A 36 ASN C 1.0 -178.6 -138.6 PHI 50 50 A 36 ASN N A 36 ASN CA A 36 ASN C A 37 ILE N 1.0 131.6 171.6 PSI 51 51 A 36 ASN C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -151.7 -111.7 PHI 52 52 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 GLU N 1.0 108.5 148.5 PSI 53 53 A 37 ILE C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -137.9 -89.2 PHI 54 54 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 VAL N 1.0 102.1 144.2 PSI 55 55 A 38 GLU C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -135.0 -86.6 PHI 56 56 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 PRO N 1.0 94.6 139.7 PSI 57 57 A 40 PRO C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -142.5 -87.0 PHI 58 58 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ASN N 1.0 110.1 161.1 PSI 59 59 A 41 LEU C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -99.6 -53.8 PHI 60 60 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 MET N 1.0 92.5 157.1 PSI 61 61 A 42 ASN C A 43 MET N A 43 MET CA A 43 MET C 1.0 -84.8 -44.8 PHI 62 62 A 43 MET N A 43 MET CA A 43 MET C A 44 THR N 1.0 -43.6 -3.6 PSI 63 63 A 43 MET C A 44 THR N A 44 THR CA A 44 THR C 1.0 -97.4 -57.4 PHI 64 64 A 44 THR N A 44 THR CA A 44 THR C A 45 THR N 1.0 -58.9 -18.9 PSI 65 65 A 44 THR C A 45 THR N A 45 THR CA A 45 THR C 1.0 -127.0 -79.4 PHI 66 66 A 45 THR N A 45 THR CA A 45 THR C A 46 LYS N 1.0 -35.8 4.2 PSI 67 67 A 46 LYS C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -151.7 -66.0 PHI 68 68 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 ASN N 1.0 115.8 179.3 PSI 69 69 A 49 ARG C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 65.4 105.4 PHI 70 70 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 PHE N 1.0 -8.1 37.1 PSI 71 71 A 50 GLY C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -170.3 -126.9 PHI 72 72 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 ALA N 1.0 137.8 177.8 PSI 73 73 A 51 PHE C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -169.2 -124.2 PHI 74 74 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 PHE N 1.0 138.2 178.2 PSI 75 75 A 52 ALA C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -135.7 -89.5 PHI 76 76 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 VAL N 1.0 112.4 152.4 PSI 77 77 A 53 PHE C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -138.0 -98.0 PHI 78 78 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 GLU N 1.0 101.1 141.1 PSI 79 79 A 54 VAL C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -125.3 -84.2 PHI 80 80 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 TYR N 1.0 98.8 138.8 PSI 81 81 A 55 GLU C A 56 TYR N A 56 TYR CA A 56 TYR C 1.0 -110.7 -60.4 PHI 82 82 A 56 TYR N A 56 TYR CA A 56 TYR C A 57 VAL N 1.0 129.6 170.8 PSI 83 83 A 56 TYR C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -87.4 -47.4 PHI 84 84 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 GLU N 1.0 -54.4 -14.4 PSI 85 85 A 58 GLU C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -80.9 -40.9 PHI 86 86 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 ASP N 1.0 -58.9 -18.9 PSI 87 87 A 59 VAL C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -84.8 -44.8 PHI 88 88 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 ASP N 1.0 -58.3 -18.3 PSI 89 89 A 60 ASP C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -90.4 -50.4 PHI 90 90 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 ALA N 1.0 -56.4 -16.4 PSI 91 91 A 61 ASP C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -85.8 -45.8 PHI 92 92 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 LYS N 1.0 -59.9 -19.9 PSI 93 93 A 62 ALA C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -85.1 -45.1 PHI 94 94 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 HIS N 1.0 -60.6 -20.6 PSI 95 95 A 63 LYS C A 64 HIS N A 64 HIS CA A 64 HIS C 1.0 -86.1 -46.1 PHI 96 96 A 64 HIS N A 64 HIS CA A 64 HIS C A 65 ALA N 1.0 -62.2 -22.2 PSI 97 97 A 64 HIS C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -86.0 -46.0 PHI 98 98 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 LEU N 1.0 -63.2 -23.2 PSI 99 99 A 65 ALA C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -82.7 -42.7 PHI 100 100 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 TYR N 1.0 -64.6 -24.6 PSI 101 101 A 66 LEU C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -84.8 -44.8 PHI 102 102 A 67 TYR N A 67 TYR CA A 67 TYR C A 68 ASN N 1.0 -60.0 -20.0 PSI 103 103 A 67 TYR C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -93.4 -53.4 PHI 104 104 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 MET N 1.0 -46.4 -6.4 PSI 105 105 A 68 ASN C A 69 MET N A 69 MET CA A 69 MET C 1.0 -132.2 -92.2 PHI 106 106 A 69 MET N A 69 MET CA A 69 MET C A 70 ASN N 1.0 -4.4 35.6 PSI 107 107 A 69 MET C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 -80.2 -40.2 PHI 108 108 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 ASN N 1.0 -49.7 -9.7 PSI 109 109 A 70 ASN C A 71 ASN N A 71 ASN CA A 71 ASN C 1.0 -100.3 -56.3 PHI 110 110 A 71 ASN N A 71 ASN CA A 71 ASN C A 72 PHE N 1.0 -40.7 17.3 PSI 111 111 A 72 PHE C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -153.4 -53.7 PHI 112 112 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 LEU N 1.0 104.0 162.6 PSI 113 113 A 73 GLU C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -144.9 -104.9 PHI 114 114 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 ASN N 1.0 101.3 141.3 PSI 115 115 A 74 LEU C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 33.5 73.5 PHI 116 116 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 GLY N 1.0 21.6 61.6 PSI 117 117 A 75 ASN C A 76 GLY N A 76 GLY CA A 76 GLY C 1.0 61.3 101.3 PHI 118 118 A 76 GLY N A 76 GLY CA A 76 GLY C A 77 LYS N 1.0 -18.7 21.3 PSI 119 119 A 76 GLY C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -130.9 -90.9 PHI 120 120 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 ARG N 1.0 116.7 156.7 PSI 121 121 A 77 LYS C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -99.3 -59.1 PHI 122 122 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 ILE N 1.0 105.8 151.1 PSI 123 123 A 78 ARG C A 79 ILE N A 79 ILE CA A 79 ILE C 1.0 -134.1 -81.5 PHI 124 124 A 79 ILE N A 79 ILE CA A 79 ILE C A 80 HIS N 1.0 107.3 152.8 PSI 125 125 A 79 ILE C A 80 HIS N A 80 HIS CA A 80 HIS C 1.0 -142.7 -87.0 PHI 126 126 A 80 HIS N A 80 HIS CA A 80 HIS C A 81 VAL N 1.0 109.6 149.6 PSI 127 127 A 80 HIS C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -139.7 -99.7 PHI 128 128 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 ASN N 1.0 115.6 155.6 PSI 129 129 A 81 VAL C A 82 ASN N A 82 ASN CA A 82 ASN C 1.0 -166.1 -117.7 PHI 130 130 A 82 ASN N A 82 ASN CA A 82 ASN C A 83 TYR N 1.0 121.4 172.6 PSI 131 131 A 84 SER C A 85 LYS N A 85 LYS CA A 85 LYS C 1.0 -98.2 -52.8 PHI 132 132 A 85 LYS N A 85 LYS CA A 85 LYS C A 86 THR N 1.0 114.8 155.4 PSI stop_ save_