data_nef_c15089_2jn8 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 PDB 2es9 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 1 MET start . . 2 A 2 VAL middle . . 3 A 3 ASN middle . . 4 A 4 PHE middle . . 5 A 5 LYS middle . . 6 A 6 ASP middle . . 7 A 7 LYS middle . . 8 A 8 SER middle . . 9 A 9 MET middle . . 10 A 10 PRO middle . false 11 A 11 THR middle . . 12 A 12 ALA middle . . 13 A 13 ILE middle . . 14 A 14 GLU middle . . 15 A 15 LYS middle . . 16 A 16 ALA middle . . 17 A 17 LEU middle . . 18 A 18 ASP middle . . 19 A 19 PHE middle . . 20 A 20 ILE middle . . 21 A 21 GLY middle . false 22 A 22 GLY middle . false 23 A 23 MET middle . . 24 A 24 ASN middle . . 25 A 25 THR middle . . 26 A 26 SER middle . . 27 A 27 ALA middle . . 28 A 28 SER middle . . 29 A 29 VAL middle . . 30 A 30 PRO middle . false 31 A 31 HIS middle . . 32 A 32 SER middle . . 33 A 33 MET middle . . 34 A 34 ASP middle . . 35 A 35 GLU middle . . 36 A 36 SER middle . . 37 A 37 THR middle . . 38 A 38 ALA middle . . 39 A 39 LYS middle . . 40 A 40 GLY middle . false 41 A 41 ILE middle . . 42 A 42 LEU middle . . 43 A 43 LYS middle . . 44 A 44 TYR middle . . 45 A 45 LEU middle . . 46 A 46 HIS middle . . 47 A 47 ASP middle . . 48 A 48 LEU middle . . 49 A 49 GLY middle . false 50 A 50 VAL middle . . 51 A 51 PRO middle . false 52 A 52 VAL middle . . 53 A 53 SER middle . . 54 A 54 PRO middle . false 55 A 55 GLU middle . . 56 A 56 VAL middle . . 57 A 57 VAL middle . . 58 A 58 VAL middle . . 59 A 59 ALA middle . . 60 A 60 ARG middle . . 61 A 61 GLY middle . false 62 A 62 GLU middle . . 63 A 63 GLN middle . . 64 A 64 GLU middle . . 65 A 65 GLY middle . false 66 A 66 TRP middle . . 67 A 67 ASN middle . . 68 A 68 PRO middle . false 69 A 69 GLU middle . . 70 A 70 PHE middle . . 71 A 71 THR middle . . 72 A 72 LYS middle . . 73 A 73 LYS middle . . 74 A 74 VAL middle . . 75 A 75 ALA middle . . 76 A 76 GLY middle . false 77 A 77 TRP middle . . 78 A 78 ALA middle . . 79 A 79 GLU middle . . 80 A 80 LYS middle . . 81 A 81 VAL middle . . 82 A 82 ALA middle . . 83 A 83 SER middle . . 84 A 84 GLY middle . false 85 A 85 ASN middle . . 86 A 86 ARG middle . . 87 A 87 ILE middle . . 88 A 88 LEU middle . . 89 A 89 ILE middle . . 90 A 90 LYS middle . . 91 A 91 ASN middle . . 92 A 92 PRO middle . false 93 A 93 GLU middle . . 94 A 94 TYR middle . . 95 A 95 PHE middle . . 96 A 96 SER middle . . 97 A 97 THR middle . . 98 A 98 TYR middle . . 99 A 99 MET middle . . 100 A 100 GLN middle . . 101 A 101 GLU middle . . 102 A 102 GLN middle . . 103 A 103 LEU middle . . 104 A 104 LYS middle . . 105 A 105 GLU middle . . 106 A 106 LEU middle . . 107 A 107 VAL middle . . 108 A 108 LEU middle . . 109 A 109 GLU middle . . 110 A 110 HIS middle . . 111 A 111 HIS middle . . 112 A 112 HIS middle . . 113 A 113 HIS middle . . 114 A 114 HIS middle . . 115 A 115 HIS 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 1 MET C C 13 172.3 0.15 A 2 VAL HA H 1 4.06 0.02 A 2 VAL HB H 1 1.92 0.02 A 2 VAL HGx% H 1 0.88 0.02 A 2 VAL HGy% H 1 0.75 0.02 A 2 VAL C C 13 175.1 0.15 A 2 VAL CA C 13 62.4 0.15 A 2 VAL CB C 13 32.8 0.15 A 2 VAL CGx C 13 20.8 0.15 A 2 VAL CGy C 13 21.1 0.15 A 3 ASN H H 1 8.56 0.02 A 3 ASN HA H 1 4.68 0.02 A 3 ASN HBy H 1 2.76 0.02 A 3 ASN HBx H 1 2.67 0.02 A 3 ASN HD21 H 1 7.60 0.02 A 3 ASN HD22 H 1 6.90 0.02 A 3 ASN C C 13 174.9 0.15 A 3 ASN CA C 13 52.9 0.15 A 3 ASN CB C 13 39.3 0.15 A 3 ASN N N 15 123.4 0.15 A 3 ASN ND2 N 15 112.8 0.15 A 4 PHE H H 1 8.33 0.02 A 4 PHE HA H 1 4.54 0.02 A 4 PHE HBx H 1 2.98 0.02 A 4 PHE HBy H 1 3.12 0.02 A 4 PHE HD1 H 1 7.23 0.02 A 4 PHE HD2 H 1 7.23 0.02 A 4 PHE HE1 H 1 7.31 0.02 A 4 PHE HE2 H 1 7.31 0.02 A 4 PHE HZ H 1 7.27 0.02 A 4 PHE C C 13 175.7 0.15 A 4 PHE CA C 13 58.3 0.15 A 4 PHE CB C 13 39.6 0.15 A 4 PHE CD1 C 13 131.8 0.15 A 4 PHE CD2 C 13 131.8 0.15 A 4 PHE CE1 C 13 131.6 0.15 A 4 PHE CE2 C 13 131.6 0.15 A 4 PHE CZ C 13 130.0 0.15 A 4 PHE N N 15 121.7 0.15 A 5 LYS H H 1 8.24 0.02 A 5 LYS HA H 1 4.22 0.02 A 5 LYS HBy H 1 1.77 0.02 A 5 LYS HBx H 1 1.71 0.02 A 5 LYS HD2 H 1 1.65 0.02 A 5 LYS HD3 H 1 1.65 0.02 A 5 LYS HE2 H 1 2.98 0.02 A 5 LYS HE3 H 1 2.98 0.02 A 5 LYS HG2 H 1 1.32 0.02 A 5 LYS HG3 H 1 1.32 0.02 A 5 LYS C C 13 176.0 0.15 A 5 LYS CA C 13 56.6 0.15 A 5 LYS CB C 13 33.0 0.15 A 5 LYS CD C 13 29.1 0.15 A 5 LYS CE C 13 42.2 0.15 A 5 LYS CG C 13 24.8 0.15 A 5 LYS N N 15 122.3 0.15 A 6 ASP H H 1 8.18 0.02 A 6 ASP HA H 1 4.53 0.02 A 6 ASP HBy H 1 2.73 0.02 A 6 ASP HBx H 1 2.62 0.02 A 6 ASP C C 13 176.2 0.15 A 6 ASP CA C 13 54.5 0.15 A 6 ASP CB C 13 41.4 0.15 A 6 ASP N N 15 121.1 0.15 A 7 LYS H H 1 8.27 0.02 A 7 LYS HA H 1 4.31 0.02 A 7 LYS HBx H 1 1.75 0.02 A 7 LYS HBy H 1 1.90 0.02 A 7 LYS HD2 H 1 1.66 0.02 A 7 LYS HD3 H 1 1.66 0.02 A 7 LYS HE2 H 1 2.99 0.02 A 7 LYS HE3 H 1 2.99 0.02 A 7 LYS HG2 H 1 1.44 0.02 A 7 LYS HG3 H 1 1.44 0.02 A 7 LYS C C 13 176.5 0.15 A 7 LYS CA C 13 56.4 0.15 A 7 LYS CB C 13 32.7 0.15 A 7 LYS CD C 13 29.1 0.15 A 7 LYS CE C 13 42.2 0.15 A 7 LYS CG C 13 24.7 0.15 A 7 LYS N N 15 121.8 0.15 A 8 SER H H 1 8.36 0.02 A 8 SER HA H 1 4.39 0.02 A 8 SER HB2 H 1 3.85 0.02 A 8 SER HB3 H 1 3.85 0.02 A 8 SER C C 13 174.1 0.15 A 8 SER CA C 13 58.7 0.15 A 8 SER CB C 13 63.9 0.15 A 8 SER N N 15 116.7 0.15 A 9 MET H H 1 8.31 0.02 A 9 MET HA H 1 4.75 0.02 A 9 MET HB2 H 1 1.99 0.02 A 9 MET HB3 H 1 1.99 0.02 A 9 MET HG2 H 1 2.51 0.02 A 9 MET HG3 H 1 2.51 0.02 A 9 MET C C 13 173.7 0.15 A 9 MET CA C 13 53.5 0.15 A 9 MET CB C 13 33.2 0.15 A 9 MET CG C 13 31.7 0.15 A 9 MET N N 15 123.3 0.15 A 10 PRO HA H 1 4.54 0.02 A 10 PRO HBy H 1 2.28 0.02 A 10 PRO HBx H 1 1.75 0.02 A 10 PRO HDx H 1 3.60 0.02 A 10 PRO HDy H 1 3.91 0.02 A 10 PRO HG2 H 1 1.96 0.02 A 10 PRO HG3 H 1 1.96 0.02 A 10 PRO CA C 13 63.1 0.15 A 10 PRO CB C 13 32.2 0.15 A 10 PRO CD C 13 50.9 0.15 A 10 PRO CG C 13 27.7 0.15 A 11 THR H H 1 8.52 0.02 A 11 THR HA H 1 4.19 0.02 A 11 THR HB H 1 4.39 0.02 A 11 THR HG2% H 1 1.31 0.02 A 11 THR C C 13 176.6 0.15 A 11 THR CA C 13 63.5 0.15 A 11 THR CB C 13 69.7 0.15 A 11 THR CG2 C 13 22.8 0.15 A 12 ALA H H 1 9.18 0.02 A 12 ALA HA H 1 3.96 0.02 A 12 ALA HB% H 1 1.31 0.02 A 12 ALA C C 13 178.5 0.15 A 12 ALA CA C 13 55.6 0.15 A 12 ALA CB C 13 19.2 0.15 A 12 ALA N N 15 122.3 0.15 A 13 ILE H H 1 7.18 0.02 A 13 ILE HA H 1 3.52 0.02 A 13 ILE HB H 1 1.81 0.02 A 13 ILE HD1% H 1 0.86 0.02 A 13 ILE HG1y H 1 1.57 0.02 A 13 ILE HG1x H 1 1.03 0.02 A 13 ILE HG2% H 1 0.94 0.02 A 13 ILE C C 13 177.1 0.15 A 13 ILE CA C 13 64.8 0.15 A 13 ILE CB C 13 37.7 0.15 A 13 ILE CD1 C 13 13.3 0.15 A 13 ILE CG1 C 13 29.7 0.15 A 13 ILE CG2 C 13 17.9 0.15 A 13 ILE N N 15 114.8 0.15 A 14 GLU H H 1 7.41 0.02 A 14 GLU HA H 1 3.82 0.02 A 14 GLU HB2 H 1 2.05 0.02 A 14 GLU HB3 H 1 2.05 0.02 A 14 GLU HGy H 1 2.23 0.02 A 14 GLU HGx H 1 2.17 0.02 A 14 GLU C C 13 178.4 0.15 A 14 GLU CA C 13 59.7 0.15 A 14 GLU CB C 13 29.4 0.15 A 14 GLU CG C 13 36.4 0.15 A 14 GLU N N 15 119.3 0.15 A 15 LYS H H 1 8.02 0.02 A 15 LYS HA H 1 3.93 0.02 A 15 LYS HBy H 1 1.71 0.02 A 15 LYS HBx H 1 1.58 0.02 A 15 LYS HD2 H 1 1.50 0.02 A 15 LYS HD3 H 1 1.50 0.02 A 15 LYS HEy H 1 2.73 0.02 A 15 LYS HEx H 1 2.63 0.02 A 15 LYS HGy H 1 1.06 0.02 A 15 LYS HGx H 1 0.83 0.02 A 15 LYS C C 13 177.7 0.15 A 15 LYS CA C 13 57.0 0.15 A 15 LYS CB C 13 30.9 0.15 A 15 LYS CD C 13 27.4 0.15 A 15 LYS CE C 13 41.7 0.15 A 15 LYS CG C 13 23.5 0.15 A 15 LYS N N 15 117.9 0.15 A 16 ALA H H 1 8.05 0.02 A 16 ALA HA H 1 4.01 0.02 A 16 ALA HB% H 1 1.53 0.02 A 16 ALA C C 13 179.6 0.15 A 16 ALA CA C 13 55.9 0.15 A 16 ALA CB C 13 19.1 0.15 A 16 ALA N N 15 121.1 0.15 A 17 LEU H H 1 8.26 0.02 A 17 LEU HA H 1 4.22 0.02 A 17 LEU HBy H 1 2.17 0.02 A 17 LEU HBx H 1 1.42 0.02 A 17 LEU HD1% H 1 0.80 0.02 A 17 LEU HD2% H 1 0.91 0.02 A 17 LEU HG H 1 1.99 0.02 A 17 LEU C C 13 179.7 0.15 A 17 LEU CA C 13 57.9 0.15 A 17 LEU CB C 13 41.1 0.15 A 17 LEU CD1 C 13 26.5 0.15 A 17 LEU CD2 C 13 22.6 0.15 A 17 LEU CG C 13 26.8 0.15 A 17 LEU N N 15 116.0 0.15 A 18 ASP H H 1 8.48 0.02 A 18 ASP HA H 1 4.52 0.02 A 18 ASP HB2 H 1 2.66 0.02 A 18 ASP HB3 H 1 2.66 0.02 A 18 ASP C C 13 180.5 0.15 A 18 ASP CA C 13 57.3 0.15 A 18 ASP CB C 13 39.7 0.15 A 18 ASP N N 15 123.0 0.15 A 19 PHE H H 1 8.47 0.02 A 19 PHE HA H 1 4.74 0.02 A 19 PHE HBx H 1 3.10 0.02 A 19 PHE HBy H 1 3.65 0.02 A 19 PHE HD1 H 1 7.29 0.02 A 19 PHE HD2 H 1 7.29 0.02 A 19 PHE HE1 H 1 7.37 0.02 A 19 PHE HE2 H 1 7.37 0.02 A 19 PHE HZ H 1 7.21 0.02 A 19 PHE C C 13 180.6 0.15 A 19 PHE CA C 13 58.6 0.15 A 19 PHE CB C 13 38.3 0.15 A 19 PHE CD1 C 13 130.5 0.15 A 19 PHE CD2 C 13 130.5 0.15 A 19 PHE CE1 C 13 131.1 0.15 A 19 PHE CE2 C 13 131.1 0.15 A 19 PHE CZ C 13 129.5 0.15 A 19 PHE N N 15 120.3 0.15 A 20 ILE H H 1 8.41 0.02 A 20 ILE HA H 1 4.00 0.02 A 20 ILE HB H 1 2.08 0.02 A 20 ILE HD1% H 1 0.91 0.02 A 20 ILE HG1x H 1 1.01 0.02 A 20 ILE HG1y H 1 2.16 0.02 A 20 ILE HG2% H 1 0.83 0.02 A 20 ILE C C 13 177.2 0.15 A 20 ILE CA C 13 65.0 0.15 A 20 ILE CB C 13 38.2 0.15 A 20 ILE CD1 C 13 12.5 0.15 A 20 ILE CG1 C 13 29.8 0.15 A 20 ILE CG2 C 13 18.2 0.15 A 20 ILE N N 15 122.6 0.15 A 21 GLY H H 1 8.87 0.02 A 21 GLY HAy H 1 4.19 0.02 A 21 GLY HAx H 1 3.73 0.02 A 21 GLY C C 13 174.8 0.15 A 21 GLY CA C 13 47.0 0.15 A 21 GLY N N 15 105.8 0.15 A 22 GLY H H 1 7.56 0.02 A 22 GLY HAy H 1 4.39 0.02 A 22 GLY HAx H 1 3.78 0.02 A 22 GLY C C 13 175.0 0.15 A 22 GLY CA C 13 45.1 0.15 A 22 GLY N N 15 106.4 0.15 A 23 MET H H 1 7.54 0.02 A 23 MET HA H 1 4.44 0.02 A 23 MET HBy H 1 2.14 0.02 A 23 MET HBx H 1 1.98 0.02 A 23 MET HGy H 1 2.99 0.02 A 23 MET HGx H 1 2.46 0.02 A 23 MET C C 13 174.3 0.15 A 23 MET CA C 13 56.1 0.15 A 23 MET CB C 13 31.4 0.15 A 23 MET CG C 13 34.4 0.15 A 23 MET N N 15 120.9 0.15 A 24 ASN H H 1 8.25 0.02 A 24 ASN HA H 1 4.73 0.02 A 24 ASN HBx H 1 2.56 0.02 A 24 ASN HBy H 1 2.81 0.02 A 24 ASN HD21 H 1 7.64 0.02 A 24 ASN HD22 H 1 6.88 0.02 A 24 ASN C C 13 175.9 0.15 A 24 ASN CA C 13 52.7 0.15 A 24 ASN CB C 13 36.2 0.15 A 24 ASN N N 15 117.2 0.15 A 24 ASN ND2 N 15 112.3 0.15 A 25 THR H H 1 7.33 0.02 A 25 THR HA H 1 3.45 0.02 A 25 THR HB H 1 3.42 0.02 A 25 THR HG2% H 1 0.03 0.02 A 25 THR C C 13 173.9 0.15 A 25 THR CA C 13 61.9 0.15 A 25 THR CB C 13 69.1 0.15 A 25 THR CG2 C 13 20.8 0.15 A 25 THR N N 15 114.2 0.15 A 26 SER H H 1 7.776 0.02 A 26 SER HA H 1 4.52 0.02 A 26 SER HBx H 1 3.90 0.02 A 26 SER HBy H 1 4.03 0.02 A 26 SER C C 13 174.6 0.15 A 26 SER CA C 13 58.80 0.15 A 26 SER CB C 13 64.033 0.15 A 26 SER N N 15 114.779 0.15 A 27 ALA H H 1 7.17 0.02 A 27 ALA HA H 1 4.28 0.02 A 27 ALA HB% H 1 1.36 0.02 A 27 ALA C C 13 176.0 0.15 A 27 ALA CA C 13 52.4 0.15 A 27 ALA CB C 13 20.2 0.15 A 28 SER H H 1 8.22 0.02 A 28 SER HA H 1 4.23 0.02 A 28 SER HB2 H 1 3.89 0.02 A 28 SER HB3 H 1 3.89 0.02 A 28 SER C C 13 174.1 0.15 A 28 SER CA C 13 59.9 0.15 A 28 SER CB C 13 63.5 0.15 A 28 SER N N 15 114.8 0.15 A 29 VAL H H 1 7.52 0.02 A 29 VAL HA H 1 4.32 0.02 A 29 VAL HB H 1 2.00 0.02 A 29 VAL HGx% H 1 0.92 0.02 A 29 VAL HGy% H 1 0.90 0.02 A 29 VAL C C 13 173.6 0.15 A 29 VAL CA C 13 59.3 0.15 A 29 VAL CB C 13 33.2 0.15 A 29 VAL CGy C 13 21.0 0.15 A 29 VAL CGx C 13 20.9 0.15 A 29 VAL N N 15 119.8 0.15 A 30 PRO HA H 1 4.63 0.02 A 30 PRO HBy H 1 2.37 0.02 A 30 PRO HBx H 1 2.07 0.02 A 30 PRO HDy H 1 3.77 0.02 A 30 PRO HDx H 1 3.73 0.02 A 30 PRO HG2 H 1 1.93 0.02 A 30 PRO HG3 H 1 1.93 0.02 A 30 PRO CA C 13 63.0 0.15 A 30 PRO CB C 13 31.9 0.15 A 30 PRO CD C 13 50.7 0.15 A 30 PRO CG C 13 27.4 0.15 A 31 HIS H H 1 9.38 0.02 A 31 HIS HA H 1 4.55 0.02 A 31 HIS HB2 H 1 3.28 0.02 A 31 HIS HB3 H 1 3.28 0.02 A 31 HIS HD2 H 1 7.29 0.02 A 31 HIS CA C 13 56.3 0.15 A 31 HIS CB C 13 30.6 0.15 A 31 HIS CD2 C 13 119.3 0.15 A 32 SER H H 1 8.80 0.02 A 32 SER HA H 1 4.24 0.02 A 32 SER HB2 H 1 3.96 0.02 A 32 SER HB3 H 1 3.96 0.02 A 32 SER CA C 13 61.8 0.15 A 32 SER CB C 13 63.3 0.15 A 33 MET HE% H 1 1.96 0.02 A 33 MET C C 13 177.7 0.15 A 33 MET CE C 13 18.8 0.15 A 34 ASP H H 1 7.36 0.02 A 34 ASP HA H 1 4.60 0.02 A 34 ASP HBx H 1 2.96 0.02 A 34 ASP HBy H 1 3.12 0.02 A 34 ASP C C 13 177.1 0.15 A 34 ASP CA C 13 56.8 0.15 A 34 ASP CB C 13 40.7 0.15 A 34 ASP N N 15 122.8 0.15 A 35 GLU H H 1 8.71 0.02 A 35 GLU HA H 1 3.72 0.02 A 35 GLU HBx H 1 1.97 0.02 A 35 GLU HBy H 1 2.06 0.02 A 35 GLU HGx H 1 1.33 0.02 A 35 GLU HGy H 1 1.64 0.02 A 35 GLU C C 13 178.0 0.15 A 35 GLU CA C 13 59.4 0.15 A 35 GLU CB C 13 28.9 0.15 A 35 GLU CG C 13 35.2 0.15 A 35 GLU N N 15 120.8 0.15 A 36 SER H H 1 8.11 0.02 A 36 SER HA H 1 4.00 0.02 A 36 SER HB2 H 1 4.08 0.02 A 36 SER HB3 H 1 4.08 0.02 A 36 SER C C 13 176.5 0.15 A 36 SER CA C 13 63.3 0.15 A 36 SER CB C 13 63.3 0.15 A 36 SER N N 15 113.3 0.15 A 37 THR H H 1 8.09 0.02 A 37 THR HA H 1 3.66 0.02 A 37 THR HB H 1 4.24 0.02 A 37 THR HG2% H 1 1.16 0.02 A 37 THR C C 13 175.3 0.15 A 37 THR CA C 13 67.9 0.15 A 37 THR CB C 13 68.1 0.15 A 37 THR CG2 C 13 22.11 0.15 A 37 THR N N 15 119.4 0.15 A 38 ALA H H 1 9.10 0.02 A 38 ALA HA H 1 3.85 0.02 A 38 ALA HB% H 1 1.57 0.02 A 38 ALA C C 13 179.1 0.15 A 38 ALA CA C 13 55.8 0.15 A 38 ALA CB C 13 18.0 0.15 A 38 ALA N N 15 123.0 0.15 A 39 LYS H H 1 8.09 0.02 A 39 LYS HA H 1 3.55 0.02 A 39 LYS HBy H 1 1.57 0.02 A 39 LYS HBx H 1 1.32 0.02 A 39 LYS HD2 H 1 1.08 0.02 A 39 LYS HD3 H 1 1.08 0.02 A 39 LYS HEy H 1 1.82 0.02 A 39 LYS HEx H 1 1.01 0.02 A 39 LYS HGy H 1 0.89 0.02 A 39 LYS HGx H 1 0.32 0.02 A 39 LYS C C 13 177.8 0.15 A 39 LYS CA C 13 61.2 0.15 A 39 LYS CB C 13 34.1 0.15 A 39 LYS CD C 13 30.2 0.15 A 39 LYS CE C 13 39.9 0.15 A 39 LYS CG C 13 27.3 0.15 A 39 LYS N N 15 114.9 0.15 A 40 GLY H H 1 7.89 0.02 A 40 GLY HAx H 1 3.40 0.02 A 40 GLY HAy H 1 3.49 0.02 A 40 GLY C C 13 175.5 0.15 A 40 GLY CA C 13 47.1 0.15 A 40 GLY N N 15 106.0 0.15 A 41 ILE H H 1 7.99 0.02 A 41 ILE HA H 1 3.07 0.02 A 41 ILE HB H 1 1.91 0.02 A 41 ILE HD1% H 1 0.93 0.02 A 41 ILE HG1y H 1 1.63 0.02 A 41 ILE HG1x H 1 0.73 0.02 A 41 ILE HG2% H 1 0.97 0.02 A 41 ILE C C 13 176.8 0.15 A 41 ILE CA C 13 65.6 0.15 A 41 ILE CB C 13 38.8 0.15 A 41 ILE CD1 C 13 15.9 0.15 A 41 ILE CG1 C 13 30.3 0.15 A 41 ILE CG2 C 13 18.0 0.15 A 41 ILE N N 15 122.9 0.15 A 42 LEU H H 1 7.98 0.02 A 42 LEU HA H 1 4.00 0.02 A 42 LEU HBy H 1 1.98 0.02 A 42 LEU HBx H 1 1.33 0.02 A 42 LEU HD1% H 1 0.89 0.02 A 42 LEU HD2% H 1 0.84 0.02 A 42 LEU HG H 1 2.09 0.02 A 42 LEU C C 13 180.4 0.15 A 42 LEU CA C 13 57.9 0.15 A 42 LEU CB C 13 42.3 0.15 A 42 LEU CD1 C 13 26.1 0.15 A 42 LEU CD2 C 13 22.0 0.15 A 42 LEU CG C 13 26.5 0.15 A 42 LEU N N 15 117.0 0.15 A 43 LYS H H 1 8.75 0.02 A 43 LYS HA H 1 3.92 0.02 A 43 LYS HBx H 1 1.70 0.02 A 43 LYS HBy H 1 2.01 0.02 A 43 LYS HDy H 1 1.76 0.02 A 43 LYS HDx H 1 1.60 0.02 A 43 LYS HE2 H 1 3.10 0.02 A 43 LYS HE3 H 1 3.10 0.02 A 43 LYS HG2 H 1 1.53 0.02 A 43 LYS HG3 H 1 1.53 0.02 A 43 LYS C C 13 176.8 0.15 A 43 LYS CA C 13 59.6 0.15 A 43 LYS CB C 13 32.9 0.15 A 43 LYS CD C 13 29.3 0.15 A 43 LYS CE C 13 42.4 0.15 A 43 LYS CG C 13 25.1 0.15 A 43 LYS N N 15 121.5 0.15 A 44 TYR H H 1 8.35 0.02 A 44 TYR HA H 1 4.35 0.02 A 44 TYR HBy H 1 3.45 0.02 A 44 TYR HBx H 1 3.02 0.02 A 44 TYR HD1 H 1 7.19 0.02 A 44 TYR HD2 H 1 7.19 0.02 A 44 TYR HE1 H 1 6.88 0.02 A 44 TYR HE2 H 1 6.88 0.02 A 44 TYR C C 13 178.0 0.15 A 44 TYR CA C 13 61.8 0.15 A 44 TYR CB C 13 40.2 0.15 A 44 TYR CD1 C 13 132.5 0.15 A 44 TYR CD2 C 13 132.5 0.15 A 44 TYR CE1 C 13 119.3 0.15 A 44 TYR CE2 C 13 119.3 0.15 A 44 TYR N N 15 120.7 0.15 A 45 LEU H H 1 8.08 0.02 A 45 LEU HA H 1 3.82 0.02 A 45 LEU HBy H 1 2.26 0.02 A 45 LEU HBx H 1 1.69 0.02 A 45 LEU HD1% H 1 0.89 0.02 A 45 LEU HD2% H 1 0.84 0.02 A 45 LEU HG H 1 1.92 0.02 A 45 LEU C C 13 179.3 0.15 A 45 LEU CA C 13 58.1 0.15 A 45 LEU CB C 13 39.5 0.15 A 45 LEU CD1 C 13 26.8 0.15 A 45 LEU CD2 C 13 23.6 0.15 A 45 LEU CG C 13 28.1 0.15 A 45 LEU N N 15 116.1 0.15 A 46 HIS H H 1 7.80 0.02 A 46 HIS HA H 1 3.76 0.02 A 46 HIS HB2 H 1 3.39 0.02 A 46 HIS HB3 H 1 3.39 0.02 A 46 HIS HD2 H 1 7.16 0.02 A 46 HIS C C 13 178.8 0.15 A 46 HIS CA C 13 60.9 0.15 A 46 HIS CB C 13 28.7 0.15 A 46 HIS CD2 C 13 121.0 0.15 A 46 HIS N N 15 117.7 0.15 A 47 ASP H H 1 9.00 0.02 A 47 ASP HA H 1 4.28 0.02 A 47 ASP HBy H 1 2.95 0.02 A 47 ASP HBx H 1 2.66 0.02 A 47 ASP C C 13 177.8 0.15 A 47 ASP CA C 13 57.1 0.15 A 47 ASP CB C 13 39.4 0.15 A 47 ASP N N 15 123.3 0.15 A 48 LEU H H 1 7.61 0.02 A 48 LEU HA H 1 4.21 0.02 A 48 LEU HB2 H 1 1.64 0.02 A 48 LEU HB3 H 1 1.64 0.02 A 48 LEU HD1% H 1 0.47 0.02 A 48 LEU HD2% H 1 0.67 0.02 A 48 LEU HG H 1 1.35 0.02 A 48 LEU C C 13 176.9 0.15 A 48 LEU CA C 13 55.2 0.15 A 48 LEU CB C 13 42.7 0.15 A 48 LEU CD1 C 13 25.6 0.15 A 48 LEU CD2 C 13 22.5 0.15 A 48 LEU CG C 13 26.8 0.15 A 48 LEU N N 15 119.3 0.15 A 49 GLY H H 1 7.73 0.02 A 49 GLY HAy H 1 4.18 0.02 A 49 GLY HAx H 1 3.68 0.02 A 49 GLY C C 13 174.0 0.15 A 49 GLY CA C 13 45.3 0.15 A 49 GLY N N 15 106.4 0.15 A 50 VAL H H 1 8.09 0.02 A 50 VAL HA H 1 4.37 0.02 A 50 VAL HB H 1 1.96 0.02 A 50 VAL HG1% H 1 0.80 0.02 A 50 VAL HG2% H 1 0.75 0.02 A 50 VAL C C 13 179.4 0.15 A 50 VAL CA C 13 58.7 0.15 A 50 VAL CB C 13 32.3 0.15 A 50 VAL CG1 C 13 22.1 0.15 A 50 VAL CG2 C 13 21.4 0.15 A 50 VAL N N 15 119.9 0.15 A 51 PRO HA H 1 4.35 0.02 A 51 PRO HBy H 1 2.08 0.02 A 51 PRO HBx H 1 1.94 0.02 A 51 PRO HDx H 1 3.26 0.02 A 51 PRO HDy H 1 3.58 0.02 A 51 PRO HGy H 1 2.06 0.02 A 51 PRO HGx H 1 1.95 0.02 A 51 PRO C C 13 177.4 0.15 A 51 PRO CA C 13 62.4 0.15 A 51 PRO CB C 13 32.7 0.15 A 51 PRO CD C 13 49.9 0.15 A 51 PRO CG C 13 27.6 0.15 A 52 VAL H H 1 8.83 0.02 A 52 VAL HA H 1 3.83 0.02 A 52 VAL HB H 1 2.16 0.02 A 52 VAL HG1% H 1 0.97 0.02 A 52 VAL HG2% H 1 0.96 0.02 A 52 VAL C C 13 175.1 0.15 A 52 VAL CA C 13 61.2 0.15 A 52 VAL CB C 13 32.9 0.15 A 52 VAL CG1 C 13 20.6 0.15 A 52 VAL CG2 C 13 19.8 0.15 A 52 VAL N N 15 122.3 0.15 A 53 SER H H 1 8.53 0.02 A 53 SER HA H 1 4.74 0.02 A 53 SER HBy H 1 4.29 0.02 A 53 SER HBx H 1 4.02 0.02 A 53 SER C C 13 173.6 0.15 A 53 SER CA C 13 56.2 0.15 A 53 SER CB C 13 63.3 0.15 A 53 SER N N 15 124.6 0.15 A 54 PRO HA H 1 4.02 0.02 A 54 PRO HBy H 1 2.50 0.02 A 54 PRO HBx H 1 2.03 0.02 A 54 PRO HDy H 1 4.06 0.02 A 54 PRO HDx H 1 3.55 0.02 A 54 PRO HGy H 1 2.30 0.02 A 54 PRO HGx H 1 1.96 0.02 A 54 PRO C C 13 177.8 0.15 A 54 PRO CA C 13 65.8 0.15 A 54 PRO CB C 13 31.6 0.15 A 54 PRO CD C 13 50.5 0.15 A 54 PRO CG C 13 28.1 0.15 A 55 GLU H H 1 8.78 0.02 A 55 GLU HA H 1 3.90 0.02 A 55 GLU HBx H 1 1.93 0.02 A 55 GLU HBy H 1 2.03 0.02 A 55 GLU HGy H 1 2.39 0.02 A 55 GLU HGx H 1 2.24 0.02 A 55 GLU C C 13 179.8 0.15 A 55 GLU CA C 13 60.6 0.15 A 55 GLU CB C 13 28.8 0.15 A 55 GLU CG C 13 37.0 0.15 A 55 GLU N N 15 114.9 0.15 A 56 VAL H H 1 7.577 0.02 A 56 VAL HA H 1 3.92 0.02 A 56 VAL HB H 1 2.30 0.02 A 56 VAL HG1% H 1 0.98 0.02 A 56 VAL HG2% H 1 1.12 0.02 A 56 VAL C C 13 178.3 0.15 A 56 VAL CA C 13 65.1 0.15 A 56 VAL CB C 13 31.3 0.15 A 56 VAL CG1 C 13 21.9 0.15 A 56 VAL CG2 C 13 21.9 0.15 A 56 VAL N N 15 118.7 0.15 A 57 VAL H H 1 7.168 0.02 A 57 VAL HA H 1 3.45 0.02 A 57 VAL HB H 1 2.37 0.02 A 57 VAL HG1% H 1 1.03 0.02 A 57 VAL HG2% H 1 0.91 0.02 A 57 VAL C C 13 176.9 0.15 A 57 VAL CA C 13 66.9 0.15 A 57 VAL CB C 13 31.6 0.15 A 57 VAL CG1 C 13 22.3 0.15 A 57 VAL CG2 C 13 22.4 0.15 A 57 VAL N N 15 122.0 0.15 A 58 VAL H H 1 8.03 0.02 A 58 VAL HA H 1 3.33 0.02 A 58 VAL HB H 1 1.88 0.02 A 58 VAL HG1% H 1 0.83 0.02 A 58 VAL HG2% H 1 0.89 0.02 A 58 VAL C C 13 177.9 0.15 A 58 VAL CA C 13 66.2 0.15 A 58 VAL CB C 13 31.9 0.15 A 58 VAL CG1 C 13 21.1 0.15 A 58 VAL CG2 C 13 22.6 0.15 A 58 VAL N N 15 118.1 0.15 A 59 ALA H H 1 7.64 0.02 A 59 ALA HA H 1 4.06 0.02 A 59 ALA HB% H 1 1.37 0.02 A 59 ALA C C 13 180.3 0.15 A 59 ALA CA C 13 54.8 0.15 A 59 ALA CB C 13 18.1 0.15 A 59 ALA N N 15 119.4 0.15 A 60 ARG H H 1 7.59 0.02 A 60 ARG HA H 1 3.93 0.02 A 60 ARG HBx H 1 1.64 0.02 A 60 ARG HBy H 1 1.74 0.02 A 60 ARG HDy H 1 3.34 0.02 A 60 ARG HDx H 1 3.03 0.02 A 60 ARG HE H 1 7.81 0.02 A 60 ARG HGy H 1 1.47 0.02 A 60 ARG HGx H 1 0.95 0.02 A 60 ARG C C 13 177.3 0.15 A 60 ARG CA C 13 57.0 0.15 A 60 ARG CB C 13 28.5 0.15 A 60 ARG CD C 13 40.9 0.15 A 60 ARG CG C 13 28.0 0.15 A 60 ARG N N 15 119.0 0.15 A 60 ARG NE N 15 83.3 0.15 A 61 GLY H H 1 8.14 0.02 A 61 GLY HAy H 1 3.40 0.02 A 61 GLY HAx H 1 2.19 0.02 A 61 GLY C C 13 176.9 0.15 A 61 GLY CA C 13 47.3 0.15 A 61 GLY N N 15 107.2 0.15 A 62 GLU H H 1 8.00 0.02 A 62 GLU HA H 1 3.99 0.02 A 62 GLU HBy H 1 2.07 0.02 A 62 GLU HBx H 1 1.97 0.02 A 62 GLU HGy H 1 2.40 0.02 A 62 GLU HGx H 1 2.19 0.02 A 62 GLU C C 13 179.3 0.15 A 62 GLU CA C 13 58.9 0.15 A 62 GLU CB C 13 29.5 0.15 A 62 GLU CG C 13 36.6 0.15 A 62 GLU N N 15 120.0 0.15 A 63 GLN H H 1 7.68 0.02 A 63 GLN HA H 1 3.97 0.02 A 63 GLN HBx H 1 2.06 0.02 A 63 GLN HBy H 1 2.16 0.02 A 63 GLN HE21 H 1 7.65 0.02 A 63 GLN HE22 H 1 6.81 0.02 A 63 GLN HGy H 1 2.38 0.02 A 63 GLN HGx H 1 2.30 0.02 A 63 GLN C C 13 178.1 0.15 A 63 GLN CA C 13 58.8 0.15 A 63 GLN CB C 13 29.3 0.15 A 63 GLN CG C 13 33.7 0.15 A 63 GLN N N 15 119.5 0.15 A 63 GLN NE2 N 15 111.7 0.15 A 64 GLU H H 1 8.03 0.02 A 64 GLU HA H 1 4.23 0.02 A 64 GLU HBy H 1 2.27 0.02 A 64 GLU HBx H 1 1.29 0.02 A 64 GLU HG2 H 1 2.23 0.02 A 64 GLU HG3 H 1 2.23 0.02 A 64 GLU C C 13 177.1 0.15 A 64 GLU CA C 13 56.2 0.15 A 64 GLU CB C 13 31.2 0.15 A 64 GLU CG C 13 37.4 0.15 A 64 GLU N N 15 114.2 0.15 A 65 GLY H H 1 7.60 0.02 A 65 GLY HAx H 1 3.91 0.02 A 65 GLY HAy H 1 4.02 0.02 A 65 GLY C C 13 175.8 0.15 A 65 GLY CA C 13 46.6 0.15 A 65 GLY N N 15 108.7 0.15 A 66 TRP H H 1 8.28 0.02 A 66 TRP HA H 1 4.55 0.02 A 66 TRP HBy H 1 3.29 0.02 A 66 TRP HBx H 1 3.14 0.02 A 66 TRP HD1 H 1 6.94 0.02 A 66 TRP HE1 H 1 10.66 0.02 A 66 TRP HE3 H 1 8.05 0.02 A 66 TRP HH2 H 1 6.95 0.02 A 66 TRP HZ2 H 1 7.30 0.02 A 66 TRP HZ3 H 1 6.86 0.02 A 66 TRP C C 13 176.7 0.15 A 66 TRP CA C 13 55.1 0.15 A 66 TRP CB C 13 30.5 0.15 A 66 TRP CD1 C 13 124.5 0.15 A 66 TRP CE3 C 13 122.3 0.15 A 66 TRP CH2 C 13 124.1 0.15 A 66 TRP CZ2 C 13 114.0 0.15 A 66 TRP CZ3 C 13 120.5 0.15 A 66 TRP N N 15 120.5 0.15 A 66 TRP NE1 N 15 130.0 0.15 A 67 ASN H H 1 8.81 0.02 A 67 ASN HA H 1 4.82 0.02 A 67 ASN HBy H 1 2.90 0.02 A 67 ASN HBx H 1 2.88 0.02 A 67 ASN HD2x H 1 7.28 0.02 A 67 ASN HD2y H 1 7.58 0.02 A 67 ASN C C 13 175.7 0.15 A 67 ASN CA C 13 52.7 0.15 A 67 ASN CB C 13 39.1 0.15 A 67 ASN N N 15 123.9 0.15 A 67 ASN ND2 N 15 115.3 0.15 A 68 PRO HA H 1 4.52 0.02 A 68 PRO HBy H 1 2.46 0.02 A 68 PRO HBx H 1 2.04 0.02 A 68 PRO HDx H 1 3.86 0.02 A 68 PRO HDy H 1 4.05 0.02 A 68 PRO HG2 H 1 2.15 0.02 A 68 PRO HG3 H 1 2.15 0.02 A 68 PRO C C 13 179.5 0.15 A 68 PRO CA C 13 65.4 0.15 A 68 PRO CB C 13 32.3 0.15 A 68 PRO CD C 13 51.3 0.15 A 68 PRO CG C 13 27.9 0.15 A 69 GLU H H 1 8.52 0.02 A 69 GLU HA H 1 4.15 0.02 A 69 GLU HBy H 1 2.23 0.02 A 69 GLU HBx H 1 2.06 0.02 A 69 GLU HGx H 1 2.31 0.02 A 69 GLU HGy H 1 2.45 0.02 A 69 GLU C C 13 179.1 0.15 A 69 GLU CA C 13 58.8 0.15 A 69 GLU CB C 13 29.6 0.15 A 69 GLU CG C 13 36.7 0.15 A 69 GLU N N 15 116.9 0.15 A 70 PHE H H 1 7.74 0.02 A 70 PHE HA H 1 3.81 0.02 A 70 PHE HBx H 1 3.55 0.02 A 70 PHE HBy H 1 3.66 0.02 A 70 PHE HD1 H 1 7.03 0.02 A 70 PHE HD2 H 1 7.03 0.02 A 70 PHE HE1 H 1 6.53 0.02 A 70 PHE HE2 H 1 6.53 0.02 A 70 PHE HZ H 1 6.69 0.02 A 70 PHE C C 13 177.1 0.15 A 70 PHE CA C 13 62.5 0.15 A 70 PHE CB C 13 38.5 0.15 A 70 PHE CD1 C 13 131.9 0.15 A 70 PHE CD2 C 13 131.9 0.15 A 70 PHE CE1 C 13 131.3 0.15 A 70 PHE CE2 C 13 131.3 0.15 A 70 PHE CZ C 13 128.8 0.15 A 70 PHE N N 15 123.8 0.15 A 71 THR H H 1 8.67 0.02 A 71 THR HA H 1 3.61 0.02 A 71 THR HB H 1 4.25 0.02 A 71 THR HG2% H 1 1.29 0.02 A 71 THR C C 13 175.8 0.15 A 71 THR CA C 13 67.1 0.15 A 71 THR CB C 13 68.1 0.15 A 71 THR CG2 C 13 25.0 0.15 A 71 THR N N 15 116.2 0.15 A 72 LYS H H 1 8.00 0.02 A 72 LYS HA H 1 3.75 0.02 A 72 LYS HBy H 1 1.82 0.02 A 72 LYS HBx H 1 1.78 0.02 A 72 LYS HD2 H 1 1.66 0.02 A 72 LYS HD3 H 1 1.66 0.02 A 72 LYS HE2 H 1 2.90 0.02 A 72 LYS HE3 H 1 2.90 0.02 A 72 LYS HGy H 1 1.52 0.02 A 72 LYS HGx H 1 1.32 0.02 A 72 LYS C C 13 179.7 0.15 A 72 LYS CA C 13 59.8 0.15 A 72 LYS CB C 13 32.9 0.15 A 72 LYS CD C 13 29.5 0.15 A 72 LYS CE C 13 42.0 0.15 A 72 LYS CG C 13 25.2 0.15 A 72 LYS N N 15 118.5 0.15 A 73 LYS H H 1 7.40 0.02 A 73 LYS HA H 1 3.55 0.02 A 73 LYS HBx H 1 0.77 0.02 A 73 LYS HBy H 1 1.49 0.02 A 73 LYS HDx H 1 1.56 0.02 A 73 LYS HDy H 1 1.66 0.02 A 73 LYS HE2 H 1 3.05 0.02 A 73 LYS HE3 H 1 3.05 0.02 A 73 LYS HG2 H 1 1.17 0.02 A 73 LYS HG3 H 1 1.17 0.02 A 73 LYS C C 13 177.9 0.15 A 73 LYS CA C 13 58.2 0.15 A 73 LYS CB C 13 31.2 0.15 A 73 LYS CD C 13 28.9 0.15 A 73 LYS CE C 13 42.4 0.15 A 73 LYS CG C 13 25.1 0.15 A 73 LYS N N 15 120.5 0.15 A 74 VAL H H 1 7.57 0.02 A 74 VAL HA H 1 3.05 0.02 A 74 VAL HB H 1 1.69 0.02 A 74 VAL HG1% H 1 0.96 0.02 A 74 VAL HG2% H 1 0.15 0.02 A 74 VAL C C 13 178.2 0.15 A 74 VAL CA C 13 65.6 0.15 A 74 VAL CB C 13 30.7 0.15 A 74 VAL CG1 C 13 22.9 0.15 A 74 VAL CG2 C 13 21.5 0.15 A 74 VAL N N 15 118.5 0.15 A 75 ALA H H 1 8.89 0.02 A 75 ALA HA H 1 3.85 0.02 A 75 ALA HB% H 1 1.37 0.02 A 75 ALA C C 13 179.7 0.15 A 75 ALA CA C 13 55.6 0.15 A 75 ALA CB C 13 18.0 0.15 A 75 ALA N N 15 122.5 0.15 A 76 GLY H H 1 7.84 0.02 A 76 GLY HAy H 1 3.90 0.02 A 76 GLY HAx H 1 3.85 0.02 A 76 GLY C C 13 177.4 0.15 A 76 GLY CA C 13 47.0 0.15 A 76 GLY N N 15 106.7 0.15 A 77 TRP H H 1 7.87 0.02 A 77 TRP HA H 1 4.64 0.02 A 77 TRP HBx H 1 2.85 0.02 A 77 TRP HBy H 1 3.50 0.02 A 77 TRP HD1 H 1 7.12 0.02 A 77 TRP HE1 H 1 10.24 0.02 A 77 TRP HE3 H 1 7.12 0.02 A 77 TRP HH2 H 1 6.86 0.02 A 77 TRP HZ2 H 1 7.36 0.02 A 77 TRP HZ3 H 1 6.64 0.02 A 77 TRP C C 13 178.2 0.15 A 77 TRP CA C 13 58.8 0.15 A 77 TRP CB C 13 27.9 0.15 A 77 TRP CD1 C 13 125.2 0.15 A 77 TRP CE3 C 13 119.9 0.15 A 77 TRP CH2 C 13 123.1 0.15 A 77 TRP CZ2 C 13 114.4 0.15 A 77 TRP CZ3 C 13 121.5 0.15 A 77 TRP N N 15 124.5 0.15 A 77 TRP NE1 N 15 129.6 0.15 A 78 ALA H H 1 8.70 0.02 A 78 ALA HA H 1 4.12 0.02 A 78 ALA HB% H 1 1.54 0.02 A 78 ALA C C 13 180.4 0.15 A 78 ALA CA C 13 55.3 0.15 A 78 ALA CB C 13 16.9 0.15 A 78 ALA N N 15 121.5 0.15 A 79 GLU H H 1 8.62 0.02 A 79 GLU HA H 1 3.99 0.02 A 79 GLU HBy H 1 2.38 0.02 A 79 GLU HBx H 1 2.17 0.02 A 79 GLU HGy H 1 2.37 0.02 A 79 GLU HGx H 1 2.24 0.02 A 79 GLU C C 13 178.7 0.15 A 79 GLU CA C 13 59.6 0.15 A 79 GLU CB C 13 29.8 0.15 A 79 GLU CG C 13 36.0 0.15 A 79 GLU N N 15 121.6 0.15 A 80 LYS H H 1 8.09 0.02 A 80 LYS HA H 1 4.06 0.02 A 80 LYS HBx H 1 1.81 0.02 A 80 LYS HBy H 1 2.11 0.02 A 80 LYS HD2 H 1 1.74 0.02 A 80 LYS HD3 H 1 1.74 0.02 A 80 LYS HE2 H 1 3.03 0.02 A 80 LYS HE3 H 1 3.03 0.02 A 80 LYS HGy H 1 1.67 0.02 A 80 LYS HGx H 1 1.55 0.02 A 80 LYS C C 13 179.5 0.15 A 80 LYS CA C 13 59.4 0.15 A 80 LYS CB C 13 32.6 0.15 A 80 LYS CD C 13 29.2 0.15 A 80 LYS CE C 13 42.4 0.15 A 80 LYS CG C 13 25.4 0.15 A 80 LYS N N 15 120.4 0.15 A 81 VAL H H 1 8.37 0.02 A 81 VAL HA H 1 3.58 0.02 A 81 VAL HB H 1 2.03 0.02 A 81 VAL HG1% H 1 0.72 0.02 A 81 VAL HG2% H 1 0.99 0.02 A 81 VAL C C 13 179.0 0.15 A 81 VAL CA C 13 65.7 0.15 A 81 VAL CB C 13 32.0 0.15 A 81 VAL CG1 C 13 22.2 0.15 A 81 VAL CG2 C 13 23.2 0.15 A 81 VAL N N 15 118.6 0.15 A 82 ALA H H 1 8.27 0.02 A 82 ALA HA H 1 4.08 0.02 A 82 ALA HB% H 1 1.59 0.02 A 82 ALA C C 13 179.2 0.15 A 82 ALA CA C 13 54.7 0.15 A 82 ALA CB C 13 18.0 0.15 A 82 ALA N N 15 121.5 0.15 A 83 SER H H 1 7.82 0.02 A 83 SER HA H 1 4.47 0.02 A 83 SER HB2 H 1 4.07 0.02 A 83 SER HB3 H 1 4.07 0.02 A 83 SER C C 13 174.8 0.15 A 83 SER CA C 13 59.2 0.15 A 83 SER CB C 13 64.1 0.15 A 83 SER N N 15 111.7 0.15 A 84 GLY H H 1 7.74 0.02 A 84 GLY HAy H 1 4.22 0.02 A 84 GLY HAx H 1 3.76 0.02 A 84 GLY C C 13 174.4 0.15 A 84 GLY CA C 13 45.8 0.15 A 84 GLY N N 15 108.8 0.15 A 85 ASN H H 1 7.83 0.02 A 85 ASN HA H 1 4.64 0.02 A 85 ASN HBx H 1 2.51 0.02 A 85 ASN HBy H 1 2.67 0.02 A 85 ASN HD21 H 1 7.50 0.02 A 85 ASN HD22 H 1 7.13 0.02 A 85 ASN C C 13 174.4 0.15 A 85 ASN CA C 13 53.3 0.15 A 85 ASN CB C 13 40.2 0.15 A 85 ASN N N 15 118.4 0.15 A 85 ASN ND2 N 15 113.4 0.15 A 86 ARG H H 1 8.50 0.02 A 86 ARG HA H 1 4.25 0.02 A 86 ARG HB2 H 1 1.73 0.02 A 86 ARG HB3 H 1 1.73 0.02 A 86 ARG HD2 H 1 3.17 0.02 A 86 ARG HD3 H 1 3.17 0.02 A 86 ARG HE H 1 7.18 0.02 A 86 ARG HGy H 1 1.66 0.02 A 86 ARG HGx H 1 1.51 0.02 A 86 ARG C C 13 175.9 0.15 A 86 ARG CA C 13 56.5 0.15 A 86 ARG CB C 13 30.3 0.15 A 86 ARG CD C 13 43.4 0.15 A 86 ARG CG C 13 27.2 0.15 A 86 ARG N N 15 121.6 0.15 A 86 ARG NE N 15 84.7 0.15 A 87 ILE H H 1 8.16 0.02 A 87 ILE HA H 1 4.42 0.02 A 87 ILE HB H 1 1.56 0.02 A 87 ILE HD1% H 1 0.73 0.02 A 87 ILE HG1x H 1 1.03 0.02 A 87 ILE HG1y H 1 1.34 0.02 A 87 ILE HG2% H 1 0.78 0.02 A 87 ILE C C 13 173.9 0.15 A 87 ILE CA C 13 59.0 0.15 A 87 ILE CB C 13 41.0 0.15 A 87 ILE CD1 C 13 14.1 0.15 A 87 ILE CG1 C 13 26.9 0.15 A 87 ILE CG2 C 13 17.4 0.15 A 87 ILE N N 15 121.9 0.15 A 88 LEU H H 1 8.39 0.02 A 88 LEU HA H 1 4.32 0.02 A 88 LEU HB2 H 1 1.47 0.02 A 88 LEU HB3 H 1 1.47 0.02 A 88 LEU HD1% H 1 0.82 0.02 A 88 LEU HD2% H 1 0.78 0.02 A 88 LEU HG H 1 1.39 0.02 A 88 LEU C C 13 175.8 0.15 A 88 LEU CA C 13 54.7 0.15 A 88 LEU CB C 13 42.3 0.15 A 88 LEU CD1 C 13 24.3 0.15 A 88 LEU CD2 C 13 24.3 0.15 A 88 LEU CG C 13 27.3 0.15 A 88 LEU N N 15 127.4 0.15 A 89 ILE H H 1 8.45 0.02 A 89 ILE HA H 1 4.09 0.02 A 89 ILE HB H 1 1.69 0.02 A 89 ILE HD1% H 1 0.69 0.02 A 89 ILE HG1y H 1 1.44 0.02 A 89 ILE HG1x H 1 0.65 0.02 A 89 ILE HG2% H 1 0.72 0.02 A 89 ILE C C 13 175.6 0.15 A 89 ILE CA C 13 60.7 0.15 A 89 ILE CB C 13 38.9 0.15 A 89 ILE CD1 C 13 12.9 0.15 A 89 ILE CG1 C 13 27.7 0.15 A 89 ILE CG2 C 13 17.7 0.15 A 89 ILE N N 15 126.0 0.15 A 90 LYS H H 1 8.99 0.02 A 90 LYS HA H 1 3.95 0.02 A 90 LYS HB2 H 1 1.65 0.02 A 90 LYS HB3 H 1 1.65 0.02 A 90 LYS HD2 H 1 1.64 0.02 A 90 LYS HD3 H 1 1.64 0.02 A 90 LYS HE2 H 1 2.97 0.02 A 90 LYS HE3 H 1 2.97 0.02 A 90 LYS HG2 H 1 1.34 0.02 A 90 LYS HG3 H 1 1.34 0.02 A 90 LYS C C 13 176.7 0.15 A 90 LYS CA C 13 58.7 0.15 A 90 LYS CB C 13 33.0 0.15 A 90 LYS CD C 13 29.2 0.15 A 90 LYS CE C 13 42.1 0.15 A 90 LYS CG C 13 25.1 0.15 A 90 LYS N N 15 128.8 0.15 A 91 ASN H H 1 7.86 0.02 A 91 ASN HA H 1 5.08 0.02 A 91 ASN HBy H 1 2.31 0.02 A 91 ASN HBx H 1 2.12 0.02 A 91 ASN HD2x H 1 6.83 0.02 A 91 ASN HD2y H 1 8.10 0.02 A 91 ASN CA C 13 52.3 0.15 A 91 ASN CB C 13 40.2 0.15 A 91 ASN N N 15 114.2 0.15 A 91 ASN ND2 N 15 113.2 0.15 A 92 PRO HA H 1 4.21 0.02 A 92 PRO HBy H 1 2.19 0.02 A 92 PRO HBx H 1 2.05 0.02 A 92 PRO HDy H 1 3.75 0.02 A 92 PRO HDx H 1 3.40 0.02 A 92 PRO HGy H 1 2.01 0.02 A 92 PRO HGx H 1 1.96 0.02 A 92 PRO C C 13 177.7 0.15 A 92 PRO CA C 13 64.4 0.15 A 92 PRO CB C 13 32.0 0.15 A 92 PRO CD C 13 50.6 0.15 A 92 PRO CG C 13 27.3 0.15 A 93 GLU H H 1 10.02 0.02 A 93 GLU HA H 1 4.10 0.02 A 93 GLU HBy H 1 1.95 0.02 A 93 GLU HBx H 1 1.83 0.02 A 93 GLU HGy H 1 2.18 0.02 A 93 GLU HGx H 1 1.69 0.02 A 93 GLU C C 13 177.1 0.15 A 93 GLU CA C 13 58.2 0.15 A 93 GLU CB C 13 27.8 0.15 A 93 GLU CG C 13 35.0 0.15 A 93 GLU N N 15 119.5 0.15 A 94 TYR H H 1 7.35 0.02 A 94 TYR HA H 1 4.51 0.02 A 94 TYR HBy H 1 3.38 0.02 A 94 TYR HBx H 1 2.72 0.02 A 94 TYR HD1 H 1 7.16 0.02 A 94 TYR HD2 H 1 7.16 0.02 A 94 TYR HE1 H 1 6.79 0.02 A 94 TYR HE2 H 1 6.79 0.02 A 94 TYR C C 13 176.1 0.15 A 94 TYR CA C 13 58.6 0.15 A 94 TYR CB C 13 37.5 0.15 A 94 TYR CD1 C 13 132.3 0.15 A 94 TYR CD2 C 13 132.3 0.15 A 94 TYR CE1 C 13 118.6 0.15 A 94 TYR CE2 C 13 118.6 0.15 A 94 TYR N N 15 119.4 0.15 A 95 PHE H H 1 7.70 0.02 A 95 PHE HA H 1 5.05 0.02 A 95 PHE HBy H 1 3.34 0.02 A 95 PHE HBx H 1 3.05 0.02 A 95 PHE HD1 H 1 7.17 0.02 A 95 PHE HD2 H 1 7.17 0.02 A 95 PHE HE1 H 1 6.84 0.02 A 95 PHE HE2 H 1 6.84 0.02 A 95 PHE HZ H 1 6.59 0.02 A 95 PHE C C 13 176.2 0.15 A 95 PHE CA C 13 55.0 0.15 A 95 PHE CB C 13 37.7 0.15 A 95 PHE CD1 C 13 130.8 0.15 A 95 PHE CD2 C 13 130.8 0.15 A 95 PHE CE1 C 13 131.5 0.15 A 95 PHE CE2 C 13 131.5 0.15 A 95 PHE CZ C 13 127.8 0.15 A 95 PHE N N 15 120.6 0.15 A 96 SER H H 1 7.53 0.02 A 96 SER HA H 1 4.22 0.02 A 96 SER HBy H 1 4.25 0.02 A 96 SER HBx H 1 3.98 0.02 A 96 SER C C 13 174.7 0.15 A 96 SER CA C 13 58.1 0.15 A 96 SER CB C 13 65.8 0.15 A 96 SER N N 15 122.9 0.15 A 97 THR H H 1 8.68 0.02 A 97 THR HA H 1 3.58 0.02 A 97 THR HB H 1 4.04 0.02 A 97 THR HG2% H 1 1.15 0.02 A 97 THR C C 13 175.9 0.15 A 97 THR CA C 13 66.0 0.15 A 97 THR CB C 13 68.4 0.15 A 97 THR CG2 C 13 22.1 0.15 A 97 THR N N 15 116.4 0.15 A 98 TYR H H 1 7.94 0.02 A 98 TYR HA H 1 4.31 0.02 A 98 TYR HBy H 1 3.10 0.02 A 98 TYR HBx H 1 2.78 0.02 A 98 TYR HD1 H 1 7.03 0.02 A 98 TYR HD2 H 1 7.03 0.02 A 98 TYR HE1 H 1 6.80 0.02 A 98 TYR HE2 H 1 6.80 0.02 A 98 TYR C C 13 177.7 0.15 A 98 TYR CA C 13 60.7 0.15 A 98 TYR CB C 13 38.1 0.15 A 98 TYR CD1 C 13 133.3 0.15 A 98 TYR CD2 C 13 133.3 0.15 A 98 TYR CE1 C 13 118.2 0.15 A 98 TYR CE2 C 13 118.2 0.15 A 98 TYR N N 15 120.4 0.15 A 99 MET H H 1 7.32 0.02 A 99 MET HA H 1 3.69 0.02 A 99 MET HBy H 1 1.87 0.02 A 99 MET HBx H 1 1.63 0.02 A 99 MET HE% H 1 1.72 0.02 A 99 MET HGy H 1 2.22 0.02 A 99 MET HGx H 1 1.49 0.02 A 99 MET C C 13 177.7 0.15 A 99 MET CA C 13 59.5 0.15 A 99 MET CB C 13 33.7 0.15 A 99 MET CE C 13 17.5 0.15 A 99 MET CG C 13 33.0 0.15 A 99 MET N N 15 118.9 0.15 A 100 GLN H H 1 7.48 0.02 A 100 GLN HA H 1 3.29 0.02 A 100 GLN HBy H 1 1.76 0.02 A 100 GLN HBx H 1 1.55 0.02 A 100 GLN HE21 H 1 6.66 0.02 A 100 GLN HE22 H 1 5.93 0.02 A 100 GLN HGy H 1 1.08 0.02 A 100 GLN HGx H 1 0.97 0.02 A 100 GLN C C 13 177.9 0.15 A 100 GLN CA C 13 59.4 0.15 A 100 GLN CB C 13 28.3 0.15 A 100 GLN CG C 13 33.8 0.15 A 100 GLN N N 15 117.7 0.15 A 100 GLN NE2 N 15 111.7 0.15 A 101 GLU H H 1 8.48 0.02 A 101 GLU HA H 1 3.96 0.02 A 101 GLU HB2 H 1 2.06 0.02 A 101 GLU HB3 H 1 2.06 0.02 A 101 GLU HGy H 1 2.41 0.02 A 101 GLU HGx H 1 2.30 0.02 A 101 GLU C C 13 179.4 0.15 A 101 GLU CA C 13 59.4 0.15 A 101 GLU CB C 13 29.3 0.15 A 101 GLU CG C 13 36.4 0.15 A 101 GLU N N 15 118.1 0.15 A 102 GLN H H 1 7.82 0.02 A 102 GLN HA H 1 4.06 0.02 A 102 GLN HBy H 1 2.21 0.02 A 102 GLN HBx H 1 2.07 0.02 A 102 GLN HE21 H 1 6.84 0.02 A 102 GLN HE22 H 1 7.66 0.02 A 102 GLN HGy H 1 2.26 0.02 A 102 GLN HGx H 1 2.14 0.02 A 102 GLN C C 13 179.0 0.15 A 102 GLN CA C 13 59.1 0.15 A 102 GLN CB C 13 29.6 0.15 A 102 GLN CG C 13 34.9 0.15 A 102 GLN N N 15 117.5 0.15 A 102 GLN NE2 N 15 111.9 0.15 A 103 LEU H H 1 7.85 0.02 A 103 LEU HA H 1 4.19 0.02 A 103 LEU HBy H 1 2.33 0.02 A 103 LEU HBx H 1 1.51 0.02 A 103 LEU HD1% H 1 1.24 0.02 A 103 LEU HD2% H 1 0.99 0.02 A 103 LEU HG H 1 2.29 0.02 A 103 LEU C C 13 178.1 0.15 A 103 LEU CA C 13 58.1 0.15 A 103 LEU CB C 13 41.8 0.15 A 103 LEU CD1 C 13 26.8 0.15 A 103 LEU CD2 C 13 23.1 0.15 A 103 LEU CG C 13 26.9 0.15 A 103 LEU N N 15 117.0 0.15 A 104 LYS H H 1 8.85 0.02 A 104 LYS HA H 1 3.84 0.02 A 104 LYS HBx H 1 1.97 0.02 A 104 LYS HBy H 1 2.45 0.02 A 104 LYS HDy H 1 1.76 0.02 A 104 LYS HDx H 1 1.74 0.02 A 104 LYS HE2 H 1 2.97 0.02 A 104 LYS HE3 H 1 2.97 0.02 A 104 LYS HG2 H 1 1.45 0.02 A 104 LYS HG3 H 1 1.45 0.02 A 104 LYS C C 13 178.7 0.15 A 104 LYS CA C 13 60.4 0.15 A 104 LYS CB C 13 32.3 0.15 A 104 LYS CD C 13 29.4 0.15 A 104 LYS CE C 13 42.2 0.15 A 104 LYS CG C 13 24.9 0.15 A 104 LYS N N 15 120.0 0.15 A 105 GLU H H 1 7.96 0.02 A 105 GLU HA H 1 4.07 0.02 A 105 GLU HB2 H 1 2.11 0.02 A 105 GLU HB3 H 1 2.11 0.02 A 105 GLU HG2 H 1 2.41 0.02 A 105 GLU HG3 H 1 2.41 0.02 A 105 GLU C C 13 178.7 0.15 A 105 GLU CA C 13 59.2 0.15 A 105 GLU CB C 13 29.4 0.15 A 105 GLU CG C 13 36.1 0.15 A 105 GLU N N 15 116.4 0.15 A 106 LEU H H 1 7.39 0.02 A 106 LEU HA H 1 4.26 0.02 A 106 LEU HBy H 1 1.94 0.02 A 106 LEU HBx H 1 1.41 0.02 A 106 LEU HD1% H 1 0.80 0.02 A 106 LEU HD2% H 1 0.89 0.02 A 106 LEU HG H 1 1.98 0.02 A 106 LEU C C 13 179.9 0.15 A 106 LEU CA C 13 57.0 0.15 A 106 LEU CB C 13 41.9 0.15 A 106 LEU CD1 C 13 26.8 0.15 A 106 LEU CD2 C 13 22.2 0.15 A 106 LEU CG C 13 26.6 0.15 A 106 LEU N N 15 117.5 0.15 A 107 VAL H H 1 8.21 0.02 A 107 VAL HA H 1 3.76 0.02 A 107 VAL HB H 1 2.23 0.02 A 107 VAL HGx% H 1 0.95 0.02 A 107 VAL HGy% H 1 0.92 0.02 A 107 VAL C C 13 177.6 0.15 A 107 VAL CA C 13 66.2 0.15 A 107 VAL CB C 13 31.8 0.15 A 107 VAL CGy C 13 23.2 0.15 A 107 VAL CGx C 13 21.9 0.15 A 107 VAL N N 15 122.2 0.15 A 108 LEU H H 1 8.19 0.02 A 108 LEU HA H 1 4.12 0.02 A 108 LEU HBy H 1 1.82 0.02 A 108 LEU HBx H 1 1.51 0.02 A 108 LEU HD1% H 1 0.91 0.02 A 108 LEU HD2% H 1 0.87 0.02 A 108 LEU HG H 1 1.77 0.02 A 108 LEU C C 13 178.7 0.15 A 108 LEU CA C 13 57.2 0.15 A 108 LEU CB C 13 41.7 0.15 A 108 LEU CD1 C 13 25.4 0.15 A 108 LEU CD2 C 13 23.0 0.15 A 108 LEU CG C 13 27.0 0.15 A 108 LEU N N 15 120.3 0.15 A 109 GLU H H 1 7.92 0.02 A 109 GLU HA H 1 4.13 0.02 A 109 GLU HB2 H 1 2.07 0.02 A 109 GLU HB3 H 1 2.07 0.02 A 109 GLU HGy H 1 2.32 0.02 A 109 GLU HGx H 1 2.27 0.02 A 109 GLU C C 13 177.5 0.15 A 109 GLU CA C 13 58.1 0.15 A 109 GLU CB C 13 29.7 0.15 A 109 GLU CG C 13 36.1 0.15 A 109 GLU N N 15 118.5 0.15 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 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.0 2 2 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.0 3 3 A 2 VAL HA A 3 ASN H 1.0 1.8 3.5 4 4 A 3 ASN H A 2 VAL HGy% 1.0 1.8 5.0 5 4 A 3 ASN H A 2 VAL HGx% 1.0 1.8 5.0 6 5 A 3 ASN H A 3 ASN HA 1.0 1.8 5.0 7 6 A 3 ASN H A 3 ASN HBy 1.0 1.8 5.0 8 7 A 3 ASN H A 3 ASN HBx 1.0 1.8 5.0 9 8 A 3 ASN HA A 4 PHE H 1.0 1.8 3.5 10 9 A 3 ASN HBy A 3 ASN HD21 1.0 1.8 5.0 11 10 A 3 ASN HBy A 3 ASN HD22 1.0 1.8 5.0 12 11 A 3 ASN HBx A 3 ASN HD21 1.0 1.8 5.0 13 12 A 3 ASN HBx A 3 ASN HD22 1.0 1.8 5.0 14 13 A 3 ASN HBy A 4 PHE H 1.0 1.8 5.0 15 14 A 3 ASN HBx A 4 PHE H 1.0 1.8 5.0 16 15 A 4 PHE H A 4 PHE HA 1.0 1.8 5.0 17 16 A 4 PHE H A 4 PHE HBx 1.0 1.8 5.0 18 17 A 4 PHE H A 4 PHE HBy 1.0 1.8 5.0 19 18 A 4 PHE HA A 4 PHE HD% 1.0 1.8 5.0 20 19 A 4 PHE HA A 4 PHE HE% 1.0 1.8 5.0 21 20 A 4 PHE HA A 5 LYS H 1.0 1.8 3.5 22 21 A 4 PHE HBx A 4 PHE HD% 1.0 1.8 5.0 23 22 A 4 PHE HBy A 4 PHE HD% 1.0 1.8 5.0 24 23 A 4 PHE HBx A 4 PHE HE% 1.0 1.8 5.0 25 24 A 4 PHE HBy A 4 PHE HE% 1.0 1.8 5.0 26 25 A 4 PHE HBx A 5 LYS H 1.0 1.8 5.0 27 26 A 4 PHE HBy A 5 LYS H 1.0 1.8 5.0 28 27 A 5 LYS H A 5 LYS HA 1.0 1.8 3.5 29 28 A 5 LYS H A 5 LYS HBy 1.0 1.8 5.0 30 29 A 5 LYS H A 5 LYS HBx 1.0 1.8 5.0 31 30 A 5 LYS H A 5 LYS HG2 1.0 1.8 5.0 32 30 A 5 LYS H A 5 LYS HG3 1.0 1.8 5.0 33 31 A 5 LYS HA A 5 LYS HG2 1.0 1.8 5.0 34 31 A 5 LYS HA A 5 LYS HG3 1.0 1.8 5.0 35 32 A 5 LYS HA A 6 ASP H 1.0 1.8 2.9 36 33 A 5 LYS HBy A 5 LYS HE2 1.0 1.8 5.0 37 33 A 5 LYS HBx A 5 LYS HE2 1.0 1.8 5.0 38 33 A 5 LYS HE3 A 5 LYS HBx 1.0 1.8 5.0 39 33 A 5 LYS HBy A 5 LYS HE3 1.0 1.8 5.0 40 34 A 6 ASP H A 5 LYS HBx 1.0 1.8 3.5 41 34 A 6 ASP H A 5 LYS HBy 1.0 1.8 3.5 42 35 A 5 LYS HE2 A 5 LYS HG2 1.0 1.8 5.0 43 35 A 5 LYS HE3 A 5 LYS HG2 1.0 1.8 5.0 44 35 A 5 LYS HG3 A 5 LYS HE2 1.0 1.8 5.0 45 35 A 5 LYS HG3 A 5 LYS HE3 1.0 1.8 5.0 46 36 A 6 ASP H A 6 ASP HA 1.0 1.8 5.0 47 37 A 6 ASP H A 6 ASP HBy 1.0 1.8 5.0 48 38 A 6 ASP H A 6 ASP HBx 1.0 1.8 5.0 49 39 A 6 ASP HA A 7 LYS H 1.0 1.8 2.9 50 40 A 6 ASP HBy A 7 LYS H 1.0 1.8 5.0 51 41 A 6 ASP HBx A 7 LYS H 1.0 1.8 5.0 52 42 A 7 LYS H A 7 LYS HA 1.0 1.8 3.5 53 43 A 7 LYS H A 7 LYS HBx 1.0 1.8 5.0 54 44 A 7 LYS H A 7 LYS HBy 1.0 1.8 5.0 55 45 A 7 LYS H A 7 LYS HG2 1.0 1.8 5.0 56 45 A 7 LYS H A 7 LYS HG3 1.0 1.8 5.0 57 46 A 7 LYS H A 8 SER H 1.0 1.8 5.0 58 47 A 7 LYS HA A 7 LYS HG2 1.0 1.8 5.0 59 47 A 7 LYS HA A 7 LYS HG3 1.0 1.8 5.0 60 48 A 7 LYS HA A 7 LYS HD2 1.0 1.8 5.0 61 48 A 7 LYS HA A 7 LYS HD3 1.0 1.8 5.0 62 49 A 7 LYS HA A 8 SER H 1.0 1.8 3.5 63 50 A 7 LYS HBy A 7 LYS HE2 1.0 1.8 5.0 64 50 A 7 LYS HBx A 7 LYS HE2 1.0 1.8 5.0 65 50 A 7 LYS HE3 A 7 LYS HBy 1.0 1.8 5.0 66 50 A 7 LYS HBx A 7 LYS HE3 1.0 1.8 5.0 67 51 A 8 SER H A 7 LYS HBx 1.0 1.8 5.0 68 52 A 8 SER H A 7 LYS HBy 1.0 1.8 5.0 69 53 A 7 LYS HE3 A 7 LYS HG2 1.0 1.8 5.0 70 53 A 7 LYS HG3 A 7 LYS HE2 1.0 1.8 5.0 71 53 A 7 LYS HG3 A 7 LYS HE3 1.0 1.8 5.0 72 53 A 7 LYS HE2 A 7 LYS HG2 1.0 1.8 5.0 73 54 A 8 SER H A 8 SER HA 1.0 1.8 3.5 74 55 A 8 SER H A 8 SER HB2 1.0 1.8 3.5 75 55 A 8 SER H A 8 SER HB3 1.0 1.8 3.5 76 56 A 8 SER HA A 9 MET H 1.0 1.8 2.9 77 57 A 9 MET H A 8 SER HB2 1.0 1.8 3.5 78 57 A 8 SER HB3 A 9 MET H 1.0 1.8 3.5 79 58 A 9 MET H A 9 MET HA 1.0 1.8 5.0 80 59 A 9 MET H A 9 MET HB2 1.0 1.8 2.9 81 59 A 9 MET H A 9 MET HB3 1.0 1.8 2.9 82 60 A 9 MET H A 9 MET HG2 1.0 1.8 5.0 83 60 A 9 MET H A 9 MET HG3 1.0 1.8 5.0 84 61 A 9 MET HA A 9 MET HG2 1.0 1.8 5.0 85 61 A 9 MET HA A 9 MET HG3 1.0 1.8 5.0 86 62 A 9 MET HA A 10 PRO HG2 1.0 1.8 5.0 87 62 A 9 MET HA A 10 PRO HG3 1.0 1.8 5.0 88 63 A 9 MET HA A 10 PRO HDx 1.0 1.8 5.0 89 64 A 9 MET HA A 10 PRO HDy 1.0 1.8 5.0 90 65 A 10 PRO HDx A 9 MET HB2 1.0 1.8 5.0 91 65 A 9 MET HB3 A 10 PRO HDx 1.0 1.8 5.0 92 66 A 10 PRO HDy A 9 MET HB2 1.0 1.8 5.0 93 66 A 9 MET HB3 A 10 PRO HDy 1.0 1.8 5.0 94 67 A 10 PRO HA A 11 THR H 1.0 1.8 3.5 95 68 A 10 PRO HA A 11 THR HG2% 1.0 1.8 5.0 96 69 A 11 THR H A 11 THR HA 1.0 1.8 5.0 97 70 A 11 THR H A 11 THR HG2% 1.0 1.8 5.0 98 71 A 11 THR H A 12 ALA H 1.0 1.8 5.0 99 72 A 11 THR HG2% A 11 THR HA 1.0 1.8 5.0 100 73 A 11 THR HA A 12 ALA H 1.0 1.8 5.0 101 74 A 11 THR HA A 12 ALA HA 1.0 1.8 5.0 102 75 A 11 THR HA A 12 ALA HB% 1.0 1.8 5.0 103 76 A 11 THR HA A 14 GLU H 1.0 1.8 5.0 104 77 A 11 THR HA A 14 GLU HB2 1.0 1.8 5.0 105 77 A 11 THR HA A 14 GLU HB3 1.0 1.8 5.0 106 78 A 12 ALA H A 11 THR HB 1.0 1.8 5.0 107 79 A 11 THR HG2% A 12 ALA H 1.0 1.8 5.0 108 80 A 12 ALA H A 12 ALA HA 1.0 1.8 5.0 109 81 A 12 ALA H A 12 ALA HB% 1.0 1.8 5.0 110 82 A 12 ALA H A 13 ILE H 1.0 1.8 5.0 111 83 A 12 ALA H A 13 ILE HD1% 1.0 1.8 5.0 112 84 A 12 ALA HA A 14 GLU H 1.0 1.8 5.0 113 85 A 12 ALA HA A 15 LYS H 1.0 1.8 5.0 114 86 A 12 ALA HA A 15 LYS HBy 1.0 1.8 5.0 115 87 A 12 ALA HA A 15 LYS HBx 1.0 1.8 5.0 116 88 A 12 ALA HA A 16 ALA H 1.0 1.8 5.0 117 89 A 12 ALA HB% A 13 ILE H 1.0 1.8 5.0 118 90 A 12 ALA HB% A 13 ILE HG2% 1.0 1.8 5.0 119 91 A 12 ALA HB% A 13 ILE HD1% 1.0 1.8 5.0 120 92 A 12 ALA HB% A 14 GLU H 1.0 1.8 5.0 121 93 A 12 ALA HB% A 107 VAL HGy% 1.0 1.8 5.0 122 93 A 12 ALA HB% A 107 VAL HGx% 1.0 1.8 5.0 123 94 A 13 ILE H A 13 ILE HA 1.0 1.8 5.0 124 95 A 13 ILE H A 13 ILE HG1y 1.0 1.8 5.0 125 96 A 13 ILE H A 13 ILE HG1x 1.0 1.8 5.0 126 97 A 13 ILE H A 13 ILE HG2% 1.0 1.8 5.0 127 98 A 13 ILE H A 13 ILE HB 1.0 1.8 5.0 128 99 A 13 ILE H A 13 ILE HD1% 1.0 1.8 5.0 129 100 A 14 GLU H A 13 ILE H 1.0 1.8 5.0 130 101 A 13 ILE H A 15 LYS H 1.0 1.8 5.0 131 102 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 5.0 132 103 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 5.0 133 104 A 13 ILE HG2% A 13 ILE HA 1.0 1.8 5.0 134 105 A 13 ILE HD1% A 13 ILE HA 1.0 1.8 5.0 135 106 A 14 GLU H A 13 ILE HA 1.0 1.8 5.0 136 107 A 16 ALA H A 13 ILE HA 1.0 1.8 5.0 137 108 A 13 ILE HA A 16 ALA HB% 1.0 1.8 5.0 138 109 A 14 GLU H A 13 ILE HG2% 1.0 1.8 5.0 139 110 A 13 ILE HG2% A 14 GLU HA 1.0 1.8 5.0 140 111 A 16 ALA H A 13 ILE HG2% 1.0 1.8 5.0 141 112 A 13 ILE HG2% A 16 ALA HB% 1.0 1.8 5.0 142 113 A 13 ILE HD1% A 13 ILE HB 1.0 1.8 5.0 143 114 A 14 GLU H A 13 ILE HB 1.0 1.8 5.0 144 115 A 14 GLU H A 13 ILE HD1% 1.0 1.8 5.0 145 116 A 14 GLU H A 14 GLU HA 1.0 1.8 5.0 146 117 A 14 GLU H A 14 GLU HB2 1.0 1.8 3.5 147 117 A 14 GLU H A 14 GLU HB3 1.0 1.8 3.5 148 118 A 14 GLU H A 14 GLU HGy 1.0 1.8 5.0 149 119 A 14 GLU H A 14 GLU HGx 1.0 1.8 5.0 150 120 A 14 GLU H A 15 LYS H 1.0 1.8 5.0 151 121 A 14 GLU H A 16 ALA H 1.0 1.8 5.0 152 122 A 14 GLU HA A 14 GLU HGy 1.0 1.8 5.0 153 123 A 14 GLU HA A 14 GLU HGx 1.0 1.8 5.0 154 124 A 14 GLU HA A 17 LEU H 1.0 1.8 5.0 155 125 A 14 GLU HA A 17 LEU HBy 1.0 1.8 5.0 156 126 A 14 GLU HA A 17 LEU HBx 1.0 1.8 5.0 157 127 A 14 GLU HA A 17 LEU HD1% 1.0 1.8 5.0 158 128 A 14 GLU HA A 18 ASP H 1.0 1.8 5.0 159 129 A 15 LYS H A 14 GLU HB2 1.0 1.8 3.5 160 129 A 14 GLU HB3 A 15 LYS H 1.0 1.8 3.5 161 130 A 15 LYS H A 15 LYS HA 1.0 1.8 5.0 162 131 A 15 LYS H A 15 LYS HBy 1.0 1.8 5.0 163 132 A 15 LYS H A 15 LYS HBx 1.0 1.8 5.0 164 133 A 15 LYS H A 15 LYS HGx 1.0 1.8 5.0 165 133 A 15 LYS H A 15 LYS HGy 1.0 1.8 5.0 166 134 A 15 LYS H A 16 ALA H 1.0 1.8 3.5 167 135 A 15 LYS H A 17 LEU H 1.0 1.8 5.0 168 136 A 15 LYS HA A 15 LYS HGx 1.0 1.8 5.0 169 136 A 15 LYS HA A 15 LYS HGy 1.0 1.8 5.0 170 137 A 15 LYS HA A 15 LYS HD2 1.0 1.8 5.0 171 137 A 15 LYS HA A 15 LYS HD3 1.0 1.8 5.0 172 138 A 15 LYS HA A 15 LYS HEy 1.0 1.8 5.0 173 139 A 15 LYS HA A 15 LYS HEx 1.0 1.8 5.0 174 140 A 16 ALA H A 15 LYS HA 1.0 1.8 5.0 175 141 A 18 ASP H A 15 LYS HA 1.0 1.8 5.0 176 142 A 15 LYS HA A 18 ASP HB2 1.0 1.8 5.0 177 142 A 15 LYS HA A 18 ASP HB3 1.0 1.8 5.0 178 143 A 15 LYS HA A 19 PHE H 1.0 1.8 5.0 179 144 A 15 LYS HBy A 16 ALA H 1.0 1.8 5.0 180 145 A 15 LYS HBx A 16 ALA H 1.0 1.8 5.0 181 146 A 15 LYS HGy A 15 LYS HEy 1.0 1.8 5.0 182 147 A 15 LYS HGy A 15 LYS HEx 1.0 1.8 5.0 183 148 A 15 LYS HEy A 15 LYS HGx 1.0 1.8 5.0 184 149 A 15 LYS HEx A 15 LYS HGx 1.0 1.8 5.0 185 150 A 16 ALA H A 15 LYS HGx 1.0 1.8 5.0 186 150 A 16 ALA H A 15 LYS HGy 1.0 1.8 5.0 187 151 A 16 ALA H A 16 ALA HB% 1.0 1.8 5.0 188 152 A 16 ALA H A 16 ALA HA 1.0 1.8 5.0 189 153 A 16 ALA H A 17 LEU H 1.0 1.8 5.0 190 154 A 16 ALA H A 18 ASP H 1.0 1.8 5.0 191 155 A 16 ALA HB% A 17 LEU H 1.0 1.8 5.0 192 156 A 16 ALA HB% A 18 ASP H 1.0 1.8 5.0 193 157 A 16 ALA HB% A 20 ILE HD1% 1.0 1.8 5.0 194 158 A 16 ALA HB% A 41 ILE HG2% 1.0 1.8 5.0 195 159 A 16 ALA HB% A 45 LEU HD1% 1.0 1.8 5.0 196 160 A 19 PHE H A 16 ALA HA 1.0 1.8 5.0 197 161 A 16 ALA HA A 19 PHE HD% 1.0 1.8 5.0 198 162 A 16 ALA HA A 20 ILE H 1.0 1.8 5.0 199 163 A 16 ALA HA A 103 LEU HD2% 1.0 1.8 5.0 200 164 A 17 LEU H A 17 LEU HA 1.0 1.8 5.0 201 165 A 17 LEU H A 17 LEU HBy 1.0 1.8 5.0 202 166 A 17 LEU H A 17 LEU HBx 1.0 1.8 5.0 203 167 A 17 LEU H A 17 LEU HG 1.0 1.8 5.0 204 168 A 17 LEU H A 17 LEU HD1% 1.0 1.8 5.0 205 169 A 17 LEU H A 17 LEU HD2% 1.0 1.8 5.0 206 170 A 17 LEU H A 18 ASP H 1.0 1.8 5.0 207 171 A 17 LEU H A 19 PHE H 1.0 1.8 5.0 208 172 A 17 LEU HA A 17 LEU HG 1.0 1.8 5.0 209 173 A 17 LEU HD1% A 17 LEU HA 1.0 1.8 5.0 210 174 A 17 LEU HA A 17 LEU HD2% 1.0 1.8 5.0 211 175 A 18 ASP H A 17 LEU HA 1.0 1.8 5.0 212 176 A 20 ILE H A 17 LEU HA 1.0 1.8 5.0 213 177 A 17 LEU HA A 20 ILE HB 1.0 1.8 5.0 214 178 A 20 ILE HD1% A 17 LEU HA 1.0 1.8 5.0 215 179 A 17 LEU HA A 21 GLY H 1.0 1.8 5.0 216 180 A 17 LEU HA A 66 TRP HZ2 1.0 1.8 5.0 217 181 A 17 LEU HA A 66 TRP HH2 1.0 1.8 5.0 218 182 A 17 LEU HBy A 17 LEU HD1% 1.0 1.8 5.0 219 183 A 17 LEU HBy A 17 LEU HD2% 1.0 1.8 5.0 220 184 A 17 LEU HBx A 17 LEU HD1% 1.0 1.8 5.0 221 185 A 17 LEU HBx A 17 LEU HD2% 1.0 1.8 5.0 222 186 A 17 LEU HBy A 18 ASP H 1.0 1.8 5.0 223 187 A 17 LEU HBx A 18 ASP H 1.0 1.8 5.0 224 188 A 18 ASP H A 17 LEU HD2% 1.0 1.8 5.0 225 189 A 17 LEU HD1% A 57 VAL HA 1.0 1.8 5.0 226 190 A 17 LEU HD1% A 60 ARG HBx 1.0 1.8 5.0 227 190 A 17 LEU HD1% A 60 ARG HBy 1.0 1.8 5.0 228 191 A 17 LEU HD2% A 66 TRP HZ2 1.0 1.8 5.0 229 192 A 18 ASP H A 18 ASP HA 1.0 1.8 5.0 230 193 A 18 ASP H A 18 ASP HB2 1.0 1.8 5.0 231 193 A 18 ASP H A 18 ASP HB3 1.0 1.8 5.0 232 194 A 18 ASP H A 19 PHE H 1.0 1.8 2.9 233 195 A 18 ASP H A 19 PHE HD% 1.0 1.8 5.0 234 196 A 18 ASP H A 20 ILE H 1.0 1.8 5.0 235 197 A 19 PHE H A 18 ASP HA 1.0 1.8 5.0 236 198 A 21 GLY H A 18 ASP HA 1.0 1.8 5.0 237 199 A 19 PHE H A 18 ASP HB2 1.0 1.8 5.0 238 199 A 18 ASP HB3 A 19 PHE H 1.0 1.8 5.0 239 200 A 19 PHE H A 19 PHE HA 1.0 1.8 5.0 240 201 A 19 PHE H A 19 PHE HBx 1.0 1.8 5.0 241 202 A 19 PHE H A 19 PHE HBy 1.0 1.8 5.0 242 203 A 19 PHE H A 19 PHE HD% 1.0 1.8 5.0 243 204 A 19 PHE H A 20 ILE H 1.0 1.8 5.0 244 205 A 19 PHE HD% A 19 PHE HA 1.0 1.8 5.0 245 206 A 19 PHE HD% A 19 PHE HBx 1.0 1.8 5.0 246 207 A 19 PHE HD% A 19 PHE HBy 1.0 1.8 5.0 247 208 A 19 PHE HE% A 19 PHE HBy 1.0 1.8 5.0 248 208 A 19 PHE HBx A 19 PHE HE% 1.0 1.8 5.0 249 209 A 20 ILE H A 19 PHE HBx 1.0 1.8 5.0 250 210 A 20 ILE H A 19 PHE HBy 1.0 1.8 5.0 251 211 A 19 PHE HBx A 41 ILE HD1% 1.0 1.8 5.0 252 212 A 41 ILE HD1% A 19 PHE HBy 1.0 1.8 5.0 253 213 A 19 PHE HD% A 41 ILE HG1x 1.0 1.8 5.0 254 213 A 19 PHE HD% A 41 ILE HG1y 1.0 1.8 5.0 255 214 A 41 ILE HG2% A 19 PHE HD% 1.0 1.8 5.0 256 215 A 19 PHE HD% A 41 ILE HD1% 1.0 1.8 5.0 257 216 A 19 PHE HD% A 103 LEU HD1% 1.0 1.8 5.0 258 217 A 19 PHE HD% A 103 LEU HD2% 1.0 1.8 5.0 259 218 A 19 PHE HE% A 99 MET HA 1.0 1.8 5.0 260 219 A 19 PHE HE% A 99 MET HGy 1.0 1.8 5.0 261 220 A 19 PHE HE% A 99 MET HGx 1.0 1.8 5.0 262 221 A 19 PHE HE% A 103 LEU HG 1.0 1.8 5.0 263 222 A 19 PHE HE% A 103 LEU HD1% 1.0 1.8 5.0 264 223 A 103 LEU HD2% A 19 PHE HE% 1.0 1.8 5.0 265 224 A 41 ILE HD1% A 19 PHE HZ 1.0 1.8 5.0 266 225 A 99 MET HA A 19 PHE HZ 1.0 1.8 5.0 267 226 A 19 PHE HZ A 99 MET HGy 1.0 1.8 5.0 268 226 A 19 PHE HZ A 99 MET HGx 1.0 1.8 5.0 269 227 A 19 PHE HZ A 102 GLN HBy 1.0 1.8 5.0 270 228 A 19 PHE HZ A 102 GLN HBx 1.0 1.8 5.0 271 229 A 19 PHE HZ A 102 GLN HGy 1.0 1.8 5.0 272 230 A 19 PHE HZ A 102 GLN HGx 1.0 1.8 5.0 273 231 A 20 ILE H A 20 ILE HA 1.0 1.8 5.0 274 232 A 20 ILE H A 20 ILE HB 1.0 1.8 5.0 275 233 A 20 ILE H A 20 ILE HG2% 1.0 1.8 5.0 276 234 A 20 ILE H A 20 ILE HG1x 1.0 1.8 5.0 277 235 A 20 ILE H A 20 ILE HG1y 1.0 1.8 5.0 278 236 A 20 ILE HD1% A 20 ILE H 1.0 1.8 5.0 279 237 A 20 ILE H A 21 GLY H 1.0 1.8 5.0 280 238 A 20 ILE H A 41 ILE HD1% 1.0 1.8 5.0 281 239 A 20 ILE HA A 20 ILE HG2% 1.0 1.8 5.0 282 240 A 20 ILE HA A 20 ILE HG1x 1.0 1.8 5.0 283 241 A 20 ILE HA A 20 ILE HG1y 1.0 1.8 5.0 284 242 A 20 ILE HD1% A 20 ILE HA 1.0 1.8 5.0 285 243 A 21 GLY H A 20 ILE HA 1.0 1.8 5.0 286 244 A 41 ILE HD1% A 20 ILE HA 1.0 1.8 5.0 287 245 A 20 ILE HD1% A 20 ILE HB 1.0 1.8 5.0 288 246 A 20 ILE HB A 21 GLY H 1.0 1.8 5.0 289 247 A 20 ILE HB A 66 TRP HZ2 1.0 1.8 5.0 290 248 A 20 ILE HB A 66 TRP HH2 1.0 1.8 5.0 291 249 A 20 ILE HB A 70 PHE HZ 1.0 1.8 5.0 292 250 A 20 ILE HD1% A 20 ILE HG2% 1.0 1.8 5.0 293 251 A 21 GLY H A 20 ILE HG2% 1.0 1.8 5.0 294 252 A 20 ILE HG2% A 21 GLY HAx 1.0 1.8 5.0 295 252 A 20 ILE HG2% A 21 GLY HAy 1.0 1.8 5.0 296 253 A 20 ILE HG2% A 38 ALA HB% 1.0 1.8 5.0 297 254 A 66 TRP HZ2 A 20 ILE HG2% 1.0 1.8 5.0 298 255 A 66 TRP HH2 A 20 ILE HG2% 1.0 1.8 5.0 299 256 A 20 ILE HG2% A 70 PHE HE% 1.0 1.8 5.0 300 257 A 20 ILE HG2% A 70 PHE HZ 1.0 1.8 5.0 301 258 A 20 ILE HG2% A 74 VAL HG1% 1.0 1.8 5.0 302 259 A 20 ILE HG2% A 74 VAL HG2% 1.0 1.8 5.0 303 260 A 20 ILE HG2% A 20 ILE HG1y 1.0 1.8 5.0 304 260 A 20 ILE HG2% A 20 ILE HG1x 1.0 1.8 5.0 305 261 A 38 ALA HB% A 20 ILE HG1x 1.0 1.8 5.0 306 262 A 38 ALA HB% A 20 ILE HG1y 1.0 1.8 5.0 307 263 A 38 ALA HA A 20 ILE HG1y 1.0 1.8 5.0 308 263 A 20 ILE HG1x A 38 ALA HA 1.0 1.8 5.0 309 264 A 41 ILE HD1% A 20 ILE HG1y 1.0 1.8 5.0 310 264 A 41 ILE HD1% A 20 ILE HG1x 1.0 1.8 5.0 311 265 A 20 ILE HD1% A 21 GLY H 1.0 1.8 5.0 312 266 A 20 ILE HD1% A 38 ALA HB% 1.0 1.8 5.0 313 267 A 20 ILE HD1% A 38 ALA HA 1.0 1.8 5.0 314 268 A 20 ILE HD1% A 42 LEU HD2% 1.0 1.8 5.0 315 268 A 20 ILE HD1% A 42 LEU HD1% 1.0 1.8 5.0 316 269 A 20 ILE HD1% A 66 TRP HH2 1.0 1.8 5.0 317 270 A 20 ILE HD1% A 66 TRP HZ3 1.0 1.8 5.0 318 271 A 20 ILE HD1% A 74 VAL HG2% 1.0 1.8 5.0 319 272 A 21 GLY H A 21 GLY HAy 1.0 1.8 5.0 320 273 A 21 GLY H A 21 GLY HAx 1.0 1.8 5.0 321 274 A 21 GLY H A 22 GLY H 1.0 1.8 5.0 322 275 A 21 GLY H A 66 TRP HE1 1.0 1.8 5.0 323 276 A 21 GLY H A 66 TRP HZ2 1.0 1.8 5.0 324 277 A 21 GLY H A 66 TRP HH2 1.0 1.8 5.0 325 278 A 21 GLY HAy A 22 GLY H 1.0 1.8 5.0 326 279 A 22 GLY H A 21 GLY HAx 1.0 1.8 5.0 327 280 A 21 GLY HAy A 66 TRP HE1 1.0 1.8 5.0 328 281 A 66 TRP HE1 A 21 GLY HAx 1.0 1.8 5.0 329 282 A 66 TRP HZ2 A 21 GLY HAy 1.0 1.8 5.0 330 283 A 66 TRP HZ2 A 21 GLY HAx 1.0 1.8 5.0 331 284 A 22 GLY H A 22 GLY HAy 1.0 1.8 5.0 332 285 A 22 GLY H A 22 GLY HAx 1.0 1.8 5.0 333 286 A 22 GLY H A 23 MET H 1.0 1.8 5.0 334 287 A 22 GLY HAy A 23 MET H 1.0 1.8 5.0 335 288 A 22 GLY HAx A 23 MET H 1.0 1.8 5.0 336 289 A 23 MET H A 23 MET HBy 1.0 1.8 5.0 337 290 A 23 MET H A 23 MET HBx 1.0 1.8 5.0 338 291 A 23 MET H A 23 MET HA 1.0 1.8 5.0 339 292 A 23 MET H A 23 MET HGy 1.0 1.8 5.0 340 293 A 23 MET H A 23 MET HGx 1.0 1.8 5.0 341 294 A 23 MET H A 24 ASN H 1.0 1.8 5.0 342 295 A 23 MET HBy A 24 ASN H 1.0 1.8 5.0 343 296 A 23 MET HBx A 24 ASN H 1.0 1.8 5.0 344 297 A 23 MET HA A 23 MET HGy 1.0 1.8 5.0 345 298 A 23 MET HA A 23 MET HGx 1.0 1.8 5.0 346 299 A 23 MET HA A 24 ASN H 1.0 1.8 5.0 347 300 A 24 ASN H A 24 ASN HBx 1.0 1.8 5.0 348 301 A 24 ASN H A 24 ASN HBy 1.0 1.8 5.0 349 302 A 24 ASN H A 25 THR H 1.0 1.8 5.0 350 303 A 25 THR H A 24 ASN HA 1.0 1.8 3.5 351 304 A 24 ASN HBx A 24 ASN HD21 1.0 1.8 5.0 352 305 A 24 ASN HBx A 24 ASN HD22 1.0 1.8 5.0 353 306 A 24 ASN HBy A 24 ASN HD21 1.0 1.8 5.0 354 307 A 24 ASN HBy A 24 ASN HD22 1.0 1.8 5.0 355 308 A 25 THR H A 25 THR HG2% 1.0 1.8 5.0 356 309 A 25 THR H A 26 SER H 1.0 1.8 5.0 357 310 A 26 SER H A 26 SER HA 1.0 1.8 5.0 358 311 A 26 SER H A 26 SER HBx 1.0 1.8 5.0 359 312 A 26 SER H A 26 SER HBy 1.0 1.8 5.0 360 313 A 26 SER H A 27 ALA H 1.0 1.8 5.0 361 314 A 26 SER H A 27 ALA HB% 1.0 1.8 5.0 362 315 A 26 SER HA A 27 ALA H 1.0 1.8 5.0 363 316 A 27 ALA H A 26 SER HBx 1.0 1.8 5.0 364 316 A 27 ALA H A 26 SER HBy 1.0 1.8 5.0 365 317 A 27 ALA H A 27 ALA HB% 1.0 1.8 5.0 366 318 A 27 ALA H A 27 ALA HA 1.0 1.8 5.0 367 319 A 27 ALA HB% A 28 SER H 1.0 1.8 5.0 368 320 A 27 ALA HB% A 29 VAL H 1.0 1.8 5.0 369 321 A 27 ALA HB% A 31 HIS HD2 1.0 1.8 5.0 370 322 A 27 ALA HA A 28 SER H 1.0 1.8 5.0 371 323 A 27 ALA HA A 29 VAL H 1.0 1.8 5.0 372 324 A 28 SER H A 28 SER HA 1.0 1.8 5.0 373 325 A 28 SER H A 28 SER HB2 1.0 1.8 3.5 374 325 A 28 SER H A 28 SER HB3 1.0 1.8 3.5 375 326 A 28 SER H A 29 VAL H 1.0 1.8 3.5 376 327 A 28 SER H A 29 VAL HB 1.0 1.8 5.0 377 328 A 28 SER H A 29 VAL HGx% 1.0 1.8 5.0 378 328 A 28 SER H A 29 VAL HGy% 1.0 1.8 5.0 379 329 A 28 SER H A 31 HIS HA 1.0 1.8 5.0 380 330 A 28 SER H A 31 HIS HD2 1.0 1.8 5.0 381 331 A 29 VAL H A 28 SER HA 1.0 1.8 5.0 382 332 A 31 HIS HD2 A 28 SER HA 1.0 1.8 5.0 383 333 A 28 SER HA A 67 ASN HD2x 1.0 1.8 5.0 384 333 A 28 SER HA A 67 ASN HD2y 1.0 1.8 5.0 385 334 A 28 SER HA A 69 GLU H 1.0 1.8 5.0 386 335 A 28 SER HA A 69 GLU HBy 1.0 1.8 5.0 387 336 A 28 SER HA A 69 GLU HBx 1.0 1.8 5.0 388 337 A 28 SER HA A 70 PHE H 1.0 1.8 5.0 389 338 A 29 VAL H A 28 SER HB2 1.0 1.8 3.5 390 338 A 29 VAL H A 28 SER HB3 1.0 1.8 3.5 391 339 A 28 SER HB3 A 29 VAL HGx% 1.0 1.8 5.0 392 339 A 28 SER HB2 A 29 VAL HGx% 1.0 1.8 5.0 393 339 A 29 VAL HGy% A 28 SER HB2 1.0 1.8 5.0 394 339 A 28 SER HB3 A 29 VAL HGy% 1.0 1.8 5.0 395 340 A 31 HIS HD2 A 28 SER HB2 1.0 1.8 5.0 396 340 A 31 HIS HD2 A 28 SER HB3 1.0 1.8 5.0 397 341 A 28 SER HB3 A 67 ASN HD2x 1.0 1.8 5.0 398 341 A 67 ASN HD2y A 28 SER HB2 1.0 1.8 5.0 399 341 A 28 SER HB3 A 67 ASN HD2y 1.0 1.8 5.0 400 341 A 67 ASN HD2x A 28 SER HB2 1.0 1.8 5.0 401 342 A 69 GLU HBy A 28 SER HB2 1.0 1.8 5.0 402 342 A 28 SER HB3 A 69 GLU HBy 1.0 1.8 5.0 403 343 A 69 GLU HBx A 28 SER HB2 1.0 1.8 5.0 404 343 A 28 SER HB3 A 69 GLU HBx 1.0 1.8 5.0 405 344 A 28 SER HB2 A 69 GLU HGx 1.0 1.8 5.0 406 344 A 28 SER HB3 A 69 GLU HGx 1.0 1.8 5.0 407 345 A 69 GLU HGy A 28 SER HB2 1.0 1.8 5.0 408 345 A 28 SER HB3 A 69 GLU HGy 1.0 1.8 5.0 409 346 A 29 VAL H A 29 VAL HA 1.0 1.8 5.0 410 347 A 29 VAL H A 29 VAL HB 1.0 1.8 3.5 411 348 A 29 VAL H A 29 VAL HGx% 1.0 1.8 5.0 412 348 A 29 VAL H A 29 VAL HGy% 1.0 1.8 5.0 413 349 A 29 VAL H A 30 PRO HDx 1.0 1.8 5.0 414 349 A 29 VAL H A 30 PRO HDy 1.0 1.8 5.0 415 350 A 29 VAL HA A 29 VAL HGx% 1.0 1.8 5.0 416 350 A 29 VAL HGy% A 29 VAL HA 1.0 1.8 5.0 417 351 A 29 VAL HA A 30 PRO HDy 1.0 1.8 5.0 418 352 A 29 VAL HA A 30 PRO HDx 1.0 1.8 5.0 419 353 A 29 VAL HB A 30 PRO HDy 1.0 1.8 5.0 420 354 A 29 VAL HB A 30 PRO HDx 1.0 1.8 5.0 421 355 A 29 VAL HGy% A 30 PRO HDx 1.0 1.8 5.0 422 355 A 30 PRO HDy A 29 VAL HGx% 1.0 1.8 5.0 423 355 A 29 VAL HGy% A 30 PRO HDy 1.0 1.8 5.0 424 355 A 29 VAL HGx% A 30 PRO HDx 1.0 1.8 5.0 425 356 A 30 PRO HA A 31 HIS H 1.0 1.8 5.0 426 357 A 31 HIS HA A 31 HIS H 1.0 1.8 5.0 427 358 A 31 HIS H A 31 HIS HB2 1.0 1.8 5.0 428 358 A 31 HIS H A 31 HIS HB3 1.0 1.8 5.0 429 359 A 31 HIS HD2 A 31 HIS H 1.0 1.8 5.0 430 360 A 31 HIS HD2 A 31 HIS HA 1.0 1.8 5.0 431 361 A 31 HIS HA A 32 SER H 1.0 1.8 5.0 432 362 A 31 HIS HD2 A 31 HIS HB2 1.0 1.8 5.0 433 362 A 31 HIS HD2 A 31 HIS HB3 1.0 1.8 5.0 434 363 A 32 SER H A 31 HIS HB2 1.0 1.8 5.0 435 363 A 31 HIS HB3 A 32 SER H 1.0 1.8 5.0 436 364 A 32 SER H A 32 SER HB2 1.0 1.8 5.0 437 364 A 32 SER H A 32 SER HB3 1.0 1.8 5.0 438 365 A 33 MET HE% A 32 SER HB2 1.0 1.8 5.0 439 365 A 32 SER HB3 A 33 MET HE% 1.0 1.8 5.0 440 366 A 34 ASP H A 34 ASP HA 1.0 1.8 5.0 441 367 A 34 ASP H A 34 ASP HBx 1.0 1.8 5.0 442 368 A 34 ASP H A 34 ASP HBy 1.0 1.8 5.0 443 369 A 34 ASP H A 35 GLU H 1.0 1.8 5.0 444 370 A 34 ASP HA A 35 GLU H 1.0 1.8 5.0 445 371 A 34 ASP HA A 37 THR H 1.0 1.8 5.0 446 372 A 34 ASP HA A 38 ALA H 1.0 1.8 5.0 447 373 A 35 GLU H A 34 ASP HBx 1.0 1.8 5.0 448 374 A 35 GLU H A 34 ASP HBy 1.0 1.8 5.0 449 375 A 35 GLU H A 35 GLU HA 1.0 1.8 5.0 450 376 A 35 GLU H A 35 GLU HBx 1.0 1.8 3.5 451 377 A 35 GLU H A 35 GLU HBy 1.0 1.8 3.5 452 378 A 35 GLU H A 36 SER H 1.0 1.8 5.0 453 379 A 35 GLU H A 37 THR H 1.0 1.8 5.0 454 380 A 35 GLU HA A 35 GLU HGx 1.0 1.8 5.0 455 381 A 35 GLU HA A 35 GLU HGy 1.0 1.8 5.0 456 382 A 35 GLU HA A 36 SER H 1.0 1.8 5.0 457 383 A 38 ALA HB% A 35 GLU HA 1.0 1.8 5.0 458 384 A 35 GLU HA A 39 LYS H 1.0 1.8 5.0 459 385 A 35 GLU HA A 77 TRP HZ2 1.0 1.8 5.0 460 386 A 35 GLU HA A 77 TRP HH2 1.0 1.8 5.0 461 387 A 35 GLU HA A 77 TRP HZ3 1.0 1.8 5.0 462 388 A 36 SER H A 35 GLU HBx 1.0 1.8 5.0 463 389 A 36 SER H A 35 GLU HBy 1.0 1.8 5.0 464 390 A 77 TRP HH2 A 35 GLU HBx 1.0 1.8 5.0 465 390 A 77 TRP HH2 A 35 GLU HBy 1.0 1.8 5.0 466 391 A 36 SER H A 35 GLU HGx 1.0 1.8 5.0 467 391 A 36 SER H A 35 GLU HGy 1.0 1.8 5.0 468 392 A 77 TRP HZ2 A 35 GLU HGx 1.0 1.8 5.0 469 393 A 77 TRP HZ2 A 35 GLU HGy 1.0 1.8 5.0 470 394 A 77 TRP HH2 A 35 GLU HGx 1.0 1.8 5.0 471 394 A 77 TRP HH2 A 35 GLU HGy 1.0 1.8 5.0 472 395 A 36 SER H A 36 SER HA 1.0 1.8 5.0 473 396 A 36 SER H A 36 SER HB2 1.0 1.8 3.5 474 396 A 36 SER H A 36 SER HB3 1.0 1.8 3.5 475 397 A 37 THR H A 36 SER H 1.0 1.8 2.9 476 398 A 37 THR H A 36 SER HA 1.0 1.8 5.0 477 399 A 39 LYS H A 36 SER HA 1.0 1.8 5.0 478 400 A 36 SER HA A 39 LYS HBx 1.0 1.8 5.0 479 400 A 36 SER HA A 39 LYS HBy 1.0 1.8 5.0 480 401 A 36 SER HA A 39 LYS HD2 1.0 1.8 5.0 481 401 A 36 SER HA A 39 LYS HD3 1.0 1.8 5.0 482 402 A 36 SER HA A 40 GLY H 1.0 1.8 5.0 483 403 A 36 SER HA A 89 ILE HD1% 1.0 1.8 5.0 484 404 A 37 THR H A 36 SER HB2 1.0 1.8 5.0 485 404 A 37 THR H A 36 SER HB3 1.0 1.8 5.0 486 405 A 89 ILE HD1% A 36 SER HB2 1.0 1.8 5.0 487 405 A 36 SER HB3 A 89 ILE HD1% 1.0 1.8 5.0 488 406 A 37 THR H A 37 THR HB 1.0 1.8 3.5 489 407 A 37 THR H A 37 THR HG2% 1.0 1.8 5.0 490 408 A 37 THR H A 37 THR HA 1.0 1.8 5.0 491 409 A 37 THR H A 38 ALA H 1.0 1.8 5.0 492 410 A 37 THR H A 39 LYS H 1.0 1.8 5.0 493 411 A 38 ALA H A 37 THR HB 1.0 1.8 5.0 494 412 A 41 ILE HD1% A 37 THR HG2% 1.0 1.8 5.0 495 413 A 37 THR HG2% A 95 PHE HA 1.0 1.8 5.0 496 414 A 37 THR HG2% A 95 PHE HD% 1.0 1.8 5.0 497 415 A 37 THR HG2% A 99 MET HE% 1.0 1.8 5.0 498 416 A 37 THR HG2% A 37 THR HA 1.0 1.8 5.0 499 417 A 38 ALA H A 37 THR HA 1.0 1.8 5.0 500 418 A 39 LYS H A 37 THR HA 1.0 1.8 5.0 501 419 A 37 THR HA A 99 MET HE% 1.0 1.8 5.0 502 420 A 38 ALA HB% A 38 ALA H 1.0 1.8 5.0 503 421 A 38 ALA HA A 38 ALA H 1.0 1.8 5.0 504 422 A 38 ALA H A 39 LYS H 1.0 1.8 5.0 505 423 A 38 ALA HB% A 39 LYS H 1.0 1.8 5.0 506 424 A 38 ALA HB% A 39 LYS HA 1.0 1.8 5.0 507 425 A 38 ALA HB% A 42 LEU HD1% 1.0 1.8 5.0 508 426 A 38 ALA HB% A 42 LEU HD2% 1.0 1.8 5.0 509 427 A 38 ALA HB% A 74 VAL HG2% 1.0 1.8 5.0 510 428 A 38 ALA HB% A 77 TRP HZ3 1.0 1.8 5.0 511 429 A 38 ALA HB% A 77 TRP HE3 1.0 1.8 5.0 512 430 A 38 ALA HA A 39 LYS H 1.0 1.8 5.0 513 431 A 38 ALA HA A 41 ILE H 1.0 1.8 5.0 514 432 A 38 ALA HA A 41 ILE HB 1.0 1.8 5.0 515 433 A 41 ILE HG2% A 38 ALA HA 1.0 1.8 5.0 516 434 A 41 ILE HD1% A 38 ALA HA 1.0 1.8 5.0 517 435 A 38 ALA HA A 42 LEU H 1.0 1.8 5.0 518 436 A 39 LYS H A 39 LYS HA 1.0 1.8 5.0 519 437 A 39 LYS H A 39 LYS HBy 1.0 1.8 5.0 520 438 A 39 LYS H A 39 LYS HBx 1.0 1.8 5.0 521 439 A 39 LYS H A 39 LYS HGy 1.0 1.8 5.0 522 440 A 39 LYS H A 39 LYS HGx 1.0 1.8 5.0 523 441 A 39 LYS H A 39 LYS HD2 1.0 1.8 5.0 524 441 A 39 LYS H A 39 LYS HD3 1.0 1.8 5.0 525 442 A 39 LYS H A 40 GLY H 1.0 1.8 3.5 526 443 A 39 LYS HA A 39 LYS HGy 1.0 1.8 5.0 527 444 A 39 LYS HA A 39 LYS HGx 1.0 1.8 5.0 528 445 A 39 LYS HA A 42 LEU H 1.0 1.8 5.0 529 446 A 39 LYS HA A 42 LEU HBy 1.0 1.8 5.0 530 447 A 39 LYS HA A 42 LEU HBx 1.0 1.8 5.0 531 448 A 39 LYS HA A 42 LEU HG 1.0 1.8 5.0 532 449 A 39 LYS HA A 42 LEU HD2% 1.0 1.8 5.0 533 449 A 42 LEU HD1% A 39 LYS HA 1.0 1.8 5.0 534 450 A 39 LYS HA A 43 LYS H 1.0 1.8 5.0 535 451 A 39 LYS HA A 87 ILE HD1% 1.0 1.8 5.0 536 452 A 39 LYS HBy A 39 LYS HD3 1.0 1.8 5.0 537 452 A 39 LYS HBy A 39 LYS HD2 1.0 1.8 5.0 538 453 A 39 LYS HD3 A 39 LYS HBx 1.0 1.8 5.0 539 453 A 39 LYS HBx A 39 LYS HD2 1.0 1.8 5.0 540 454 A 39 LYS HBy A 40 GLY H 1.0 1.8 5.0 541 455 A 40 GLY H A 39 LYS HBx 1.0 1.8 5.0 542 456 A 39 LYS HBy A 89 ILE HD1% 1.0 1.8 5.0 543 457 A 89 ILE HD1% A 39 LYS HBx 1.0 1.8 5.0 544 458 A 40 GLY H A 39 LYS HGx 1.0 1.8 5.0 545 458 A 40 GLY H A 39 LYS HGy 1.0 1.8 5.0 546 459 A 89 ILE HA A 39 LYS HD2 1.0 1.8 5.0 547 459 A 39 LYS HD3 A 89 ILE HA 1.0 1.8 5.0 548 460 A 39 LYS HEy A 77 TRP HE1 1.0 1.8 5.0 549 461 A 77 TRP HE1 A 39 LYS HEx 1.0 1.8 5.0 550 462 A 39 LYS HEy A 77 TRP HD1 1.0 1.8 5.0 551 463 A 39 LYS HEx A 77 TRP HD1 1.0 1.8 5.0 552 464 A 87 ILE HD1% A 39 LYS HEy 1.0 1.8 5.0 553 465 A 87 ILE HD1% A 39 LYS HEx 1.0 1.8 5.0 554 466 A 40 GLY H A 40 GLY HAx 1.0 1.8 5.0 555 467 A 40 GLY H A 40 GLY HAy 1.0 1.8 5.0 556 468 A 40 GLY H A 41 ILE H 1.0 1.8 5.0 557 469 A 40 GLY H A 41 ILE HG1x 1.0 1.8 5.0 558 469 A 41 ILE HG1y A 40 GLY H 1.0 1.8 5.0 559 470 A 40 GLY H A 42 LEU H 1.0 1.8 5.0 560 471 A 40 GLY H A 89 ILE HD1% 1.0 1.8 5.0 561 472 A 41 ILE H A 40 GLY HAx 1.0 1.8 5.0 562 473 A 41 ILE H A 40 GLY HAy 1.0 1.8 5.0 563 474 A 43 LYS H A 40 GLY HAy 1.0 1.8 5.0 564 474 A 43 LYS H A 40 GLY HAx 1.0 1.8 5.0 565 475 A 89 ILE HD1% A 40 GLY HAx 1.0 1.8 5.0 566 476 A 89 ILE HD1% A 40 GLY HAy 1.0 1.8 5.0 567 477 A 41 ILE H A 41 ILE HA 1.0 1.8 5.0 568 478 A 41 ILE H A 41 ILE HB 1.0 1.8 3.5 569 479 A 41 ILE HG1y A 41 ILE H 1.0 1.8 5.0 570 480 A 41 ILE H A 41 ILE HG1x 1.0 1.8 5.0 571 481 A 41 ILE HG2% A 41 ILE H 1.0 1.8 5.0 572 482 A 41 ILE HD1% A 41 ILE H 1.0 1.8 5.0 573 483 A 41 ILE H A 42 LEU H 1.0 1.8 3.5 574 484 A 41 ILE H A 43 LYS H 1.0 1.8 5.0 575 485 A 41 ILE HG1y A 41 ILE HA 1.0 1.8 5.0 576 486 A 41 ILE HA A 41 ILE HG1x 1.0 1.8 5.0 577 487 A 41 ILE HG2% A 41 ILE HA 1.0 1.8 5.0 578 488 A 41 ILE HD1% A 41 ILE HA 1.0 1.8 5.0 579 489 A 42 LEU H A 41 ILE HA 1.0 1.8 5.0 580 490 A 41 ILE HA A 95 PHE HE% 1.0 1.8 5.0 581 491 A 41 ILE HA A 95 PHE HZ 1.0 1.8 5.0 582 492 A 41 ILE HD1% A 41 ILE HB 1.0 1.8 5.0 583 493 A 41 ILE HB A 42 LEU H 1.0 1.8 5.0 584 494 A 41 ILE HG2% A 41 ILE HG1x 1.0 1.8 5.0 585 494 A 41 ILE HG2% A 41 ILE HG1y 1.0 1.8 5.0 586 495 A 95 PHE HD% A 41 ILE HG1x 1.0 1.8 5.0 587 495 A 41 ILE HG1y A 95 PHE HD% 1.0 1.8 5.0 588 496 A 41 ILE HG1y A 95 PHE HE% 1.0 1.8 5.0 589 497 A 95 PHE HE% A 41 ILE HG1x 1.0 1.8 5.0 590 498 A 41 ILE HG2% A 41 ILE HD1% 1.0 1.8 5.0 591 499 A 41 ILE HG2% A 42 LEU H 1.0 1.8 5.0 592 500 A 41 ILE HG2% A 42 LEU HA 1.0 1.8 5.0 593 501 A 41 ILE HG2% A 42 LEU HBy 1.0 1.8 5.0 594 502 A 41 ILE HG2% A 44 TYR HD% 1.0 1.8 5.0 595 503 A 41 ILE HG2% A 103 LEU HD2% 1.0 1.8 5.0 596 504 A 41 ILE HD1% A 95 PHE HE% 1.0 1.8 5.0 597 505 A 41 ILE HD1% A 99 MET HE% 1.0 1.8 5.0 598 506 A 42 LEU H A 42 LEU HA 1.0 1.8 5.0 599 507 A 42 LEU H A 42 LEU HBy 1.0 1.8 5.0 600 508 A 42 LEU H A 42 LEU HBx 1.0 1.8 5.0 601 509 A 42 LEU H A 42 LEU HG 1.0 1.8 5.0 602 510 A 42 LEU H A 42 LEU HD2% 1.0 1.8 5.0 603 510 A 42 LEU HD1% A 42 LEU H 1.0 1.8 5.0 604 511 A 42 LEU H A 42 LEU HD2% 1.0 1.8 5.0 605 512 A 42 LEU H A 43 LYS H 1.0 1.8 5.0 606 513 A 42 LEU HG A 42 LEU HA 1.0 1.8 5.0 607 514 A 42 LEU HD1% A 42 LEU HA 1.0 1.8 5.0 608 515 A 42 LEU HA A 42 LEU HD2% 1.0 1.8 5.0 609 516 A 43 LYS H A 42 LEU HA 1.0 1.8 5.0 610 517 A 42 LEU HA A 45 LEU HBy 1.0 1.8 5.0 611 518 A 42 LEU HA A 45 LEU HBx 1.0 1.8 5.0 612 519 A 45 LEU HD1% A 42 LEU HA 1.0 1.8 5.0 613 520 A 42 LEU HBy A 42 LEU HD2% 1.0 1.8 5.0 614 520 A 42 LEU HD1% A 42 LEU HBy 1.0 1.8 5.0 615 521 A 42 LEU HBx A 42 LEU HD2% 1.0 1.8 5.0 616 521 A 42 LEU HD1% A 42 LEU HBx 1.0 1.8 5.0 617 522 A 42 LEU HBy A 43 LYS H 1.0 1.8 5.0 618 523 A 42 LEU HBx A 43 LYS H 1.0 1.8 5.0 619 524 A 42 LEU HBx A 81 VAL HG2% 1.0 1.8 5.0 620 525 A 43 LYS H A 42 LEU HD2% 1.0 1.8 5.0 621 525 A 42 LEU HD1% A 43 LYS H 1.0 1.8 5.0 622 526 A 52 VAL H A 42 LEU HD2% 1.0 1.8 5.0 623 526 A 42 LEU HD1% A 52 VAL H 1.0 1.8 5.0 624 527 A 74 VAL HG1% A 42 LEU HD2% 1.0 1.8 5.0 625 527 A 74 VAL HG1% A 42 LEU HD1% 1.0 1.8 5.0 626 528 A 77 TRP H A 42 LEU HD2% 1.0 1.8 5.0 627 528 A 42 LEU HD1% A 77 TRP H 1.0 1.8 5.0 628 529 A 77 TRP HBx A 42 LEU HD2% 1.0 1.8 5.0 629 529 A 42 LEU HD1% A 77 TRP HBx 1.0 1.8 5.0 630 530 A 77 TRP HBy A 42 LEU HD2% 1.0 1.8 5.0 631 530 A 42 LEU HD1% A 77 TRP HBy 1.0 1.8 5.0 632 531 A 77 TRP HZ3 A 42 LEU HD2% 1.0 1.8 5.0 633 531 A 42 LEU HD1% A 77 TRP HZ3 1.0 1.8 5.0 634 532 A 77 TRP HE3 A 42 LEU HD2% 1.0 1.8 5.0 635 532 A 42 LEU HD1% A 77 TRP HE3 1.0 1.8 5.0 636 533 A 78 ALA H A 42 LEU HD2% 1.0 1.8 5.0 637 533 A 42 LEU HD1% A 78 ALA H 1.0 1.8 5.0 638 534 A 42 LEU HD1% A 78 ALA HA 1.0 1.8 5.0 639 535 A 78 ALA HA A 42 LEU HD2% 1.0 1.8 5.0 640 536 A 42 LEU HD1% A 78 ALA HB% 1.0 1.8 5.0 641 537 A 78 ALA HB% A 42 LEU HD2% 1.0 1.8 5.0 642 538 A 81 VAL HB A 42 LEU HD2% 1.0 1.8 5.0 643 538 A 42 LEU HD1% A 81 VAL HB 1.0 1.8 5.0 644 539 A 43 LYS H A 43 LYS HA 1.0 1.8 5.0 645 540 A 43 LYS H A 43 LYS HBx 1.0 1.8 5.0 646 541 A 43 LYS H A 43 LYS HBy 1.0 1.8 5.0 647 542 A 43 LYS H A 44 TYR H 1.0 1.8 3.5 648 543 A 43 LYS H A 81 VAL HG1% 1.0 1.8 5.0 649 544 A 43 LYS H A 81 VAL HG2% 1.0 1.8 5.0 650 545 A 43 LYS HA A 43 LYS HG2 1.0 1.8 5.0 651 545 A 43 LYS HA A 43 LYS HG3 1.0 1.8 5.0 652 546 A 43 LYS HA A 43 LYS HDy 1.0 1.8 5.0 653 547 A 43 LYS HA A 43 LYS HDx 1.0 1.8 5.0 654 548 A 43 LYS HA A 44 TYR H 1.0 1.8 5.0 655 549 A 43 LYS HA A 46 HIS H 1.0 1.8 5.0 656 550 A 43 LYS HA A 46 HIS HB2 1.0 1.8 5.0 657 550 A 43 LYS HA A 46 HIS HB3 1.0 1.8 5.0 658 551 A 43 LYS HA A 47 ASP H 1.0 1.8 5.0 659 552 A 43 LYS HA A 81 VAL HG1% 1.0 1.8 5.0 660 553 A 81 VAL HG2% A 43 LYS HA 1.0 1.8 5.0 661 554 A 43 LYS HBy A 43 LYS HDx 1.0 1.8 5.0 662 554 A 43 LYS HDy A 43 LYS HBy 1.0 1.8 5.0 663 554 A 43 LYS HBx A 43 LYS HDy 1.0 1.8 5.0 664 554 A 43 LYS HBx A 43 LYS HDx 1.0 1.8 5.0 665 555 A 43 LYS HBy A 43 LYS HE2 1.0 1.8 5.0 666 555 A 43 LYS HBx A 43 LYS HE2 1.0 1.8 5.0 667 555 A 43 LYS HE3 A 43 LYS HBy 1.0 1.8 5.0 668 555 A 43 LYS HBx A 43 LYS HE3 1.0 1.8 5.0 669 556 A 44 TYR H A 43 LYS HBx 1.0 1.8 5.0 670 557 A 44 TYR H A 43 LYS HBy 1.0 1.8 5.0 671 558 A 81 VAL HG1% A 43 LYS HBy 1.0 1.8 5.0 672 558 A 81 VAL HG1% A 43 LYS HBx 1.0 1.8 5.0 673 559 A 87 ILE HD1% A 43 LYS HBy 1.0 1.8 5.0 674 559 A 87 ILE HD1% A 43 LYS HBx 1.0 1.8 5.0 675 560 A 43 LYS HE2 A 43 LYS HG2 1.0 1.8 5.0 676 560 A 43 LYS HG3 A 43 LYS HE2 1.0 1.8 5.0 677 560 A 43 LYS HG3 A 43 LYS HE3 1.0 1.8 5.0 678 560 A 43 LYS HE3 A 43 LYS HG2 1.0 1.8 5.0 679 561 A 44 TYR H A 43 LYS HG2 1.0 1.8 5.0 680 561 A 44 TYR H A 43 LYS HG3 1.0 1.8 5.0 681 562 A 81 VAL HG1% A 43 LYS HG2 1.0 1.8 5.0 682 562 A 81 VAL HG1% A 43 LYS HG3 1.0 1.8 5.0 683 563 A 81 VAL HG2% A 43 LYS HG2 1.0 1.8 5.0 684 563 A 81 VAL HG2% A 43 LYS HG3 1.0 1.8 5.0 685 564 A 87 ILE HG2% A 43 LYS HE2 1.0 1.8 5.0 686 564 A 43 LYS HE3 A 87 ILE HG2% 1.0 1.8 5.0 687 565 A 89 ILE HD1% A 43 LYS HE2 1.0 1.8 5.0 688 565 A 89 ILE HD1% A 43 LYS HE3 1.0 1.8 5.0 689 566 A 44 TYR H A 44 TYR HA 1.0 1.8 5.0 690 567 A 44 TYR H A 44 TYR HBy 1.0 1.8 5.0 691 568 A 44 TYR H A 44 TYR HBx 1.0 1.8 5.0 692 569 A 44 TYR HD% A 44 TYR H 1.0 1.8 5.0 693 570 A 44 TYR H A 45 LEU H 1.0 1.8 5.0 694 571 A 44 TYR HD% A 44 TYR HA 1.0 1.8 5.0 695 572 A 44 TYR HA A 44 TYR HE% 1.0 1.8 5.0 696 573 A 44 TYR HA A 45 LEU H 1.0 1.8 5.0 697 574 A 47 ASP H A 44 TYR HA 1.0 1.8 5.0 698 575 A 44 TYR HA A 47 ASP HBy 1.0 1.8 5.0 699 576 A 44 TYR HA A 47 ASP HBx 1.0 1.8 5.0 700 577 A 44 TYR HD% A 44 TYR HBy 1.0 1.8 5.0 701 578 A 44 TYR HD% A 44 TYR HBx 1.0 1.8 5.0 702 579 A 44 TYR HBy A 44 TYR HE% 1.0 1.8 5.0 703 580 A 44 TYR HBx A 44 TYR HE% 1.0 1.8 5.0 704 581 A 44 TYR HBy A 45 LEU H 1.0 1.8 5.0 705 582 A 44 TYR HBx A 45 LEU H 1.0 1.8 5.0 706 583 A 95 PHE HE% A 44 TYR HBy 1.0 1.8 5.0 707 584 A 95 PHE HE% A 44 TYR HBx 1.0 1.8 5.0 708 585 A 95 PHE HZ A 44 TYR HBy 1.0 1.8 5.0 709 586 A 95 PHE HZ A 44 TYR HBx 1.0 1.8 5.0 710 587 A 44 TYR HD% A 45 LEU H 1.0 1.8 5.0 711 588 A 44 TYR HD% A 45 LEU HA 1.0 1.8 5.0 712 589 A 44 TYR HD% A 45 LEU HG 1.0 1.8 5.0 713 590 A 45 LEU HD1% A 44 TYR HD% 1.0 1.8 5.0 714 591 A 44 TYR HD% A 45 LEU HD2% 1.0 1.8 5.0 715 592 A 44 TYR HD% A 48 LEU HD1% 1.0 1.8 5.0 716 593 A 95 PHE HZ A 44 TYR HD% 1.0 1.8 5.0 717 594 A 44 TYR HD% A 103 LEU HBy 1.0 1.8 5.0 718 595 A 44 TYR HD% A 103 LEU HBx 1.0 1.8 5.0 719 596 A 103 LEU HD1% A 44 TYR HD% 1.0 1.8 5.0 720 597 A 44 TYR HE% A 45 LEU HD2% 1.0 1.8 5.0 721 598 A 44 TYR HE% A 48 LEU HD1% 1.0 1.8 5.0 722 599 A 44 TYR HE% A 48 LEU HD2% 1.0 1.8 5.0 723 600 A 44 TYR HE% A 100 GLN HA 1.0 1.8 5.0 724 601 A 44 TYR HE% A 100 GLN HGy 1.0 1.8 5.0 725 602 A 44 TYR HE% A 100 GLN HGx 1.0 1.8 5.0 726 603 A 44 TYR HE% A 100 GLN HBy 1.0 1.8 5.0 727 603 A 44 TYR HE% A 100 GLN HBx 1.0 1.8 5.0 728 604 A 44 TYR HE% A 103 LEU HBy 1.0 1.8 5.0 729 605 A 44 TYR HE% A 103 LEU HBx 1.0 1.8 5.0 730 606 A 103 LEU HD1% A 44 TYR HE% 1.0 1.8 5.0 731 607 A 44 TYR HE% A 104 LYS H 1.0 1.8 5.0 732 608 A 44 TYR HE% A 104 LYS HA 1.0 1.8 5.0 733 609 A 44 TYR HE% A 104 LYS HBx 1.0 1.8 5.0 734 610 A 44 TYR HE% A 104 LYS HBy 1.0 1.8 5.0 735 611 A 44 TYR HE% A 104 LYS HDx 1.0 1.8 5.0 736 611 A 44 TYR HE% A 104 LYS HDy 1.0 1.8 5.0 737 612 A 45 LEU H A 45 LEU HA 1.0 1.8 5.0 738 613 A 45 LEU H A 45 LEU HG 1.0 1.8 5.0 739 614 A 45 LEU HBy A 45 LEU H 1.0 1.8 5.0 740 615 A 45 LEU HBx A 45 LEU H 1.0 1.8 5.0 741 616 A 45 LEU HD1% A 45 LEU H 1.0 1.8 5.0 742 617 A 45 LEU H A 45 LEU HD2% 1.0 1.8 5.0 743 618 A 46 HIS H A 45 LEU H 1.0 1.8 3.5 744 619 A 47 ASP H A 45 LEU H 1.0 1.8 5.0 745 620 A 45 LEU HA A 45 LEU HG 1.0 1.8 5.0 746 621 A 45 LEU HD1% A 45 LEU HA 1.0 1.8 5.0 747 622 A 45 LEU HA A 45 LEU HD2% 1.0 1.8 5.0 748 623 A 46 HIS H A 45 LEU HA 1.0 1.8 5.0 749 624 A 45 LEU HA A 48 LEU H 1.0 1.8 5.0 750 625 A 45 LEU HA A 48 LEU HG 1.0 1.8 5.0 751 626 A 45 LEU HA A 48 LEU HB2 1.0 1.8 5.0 752 626 A 45 LEU HA A 48 LEU HB3 1.0 1.8 5.0 753 627 A 45 LEU HA A 48 LEU HD1% 1.0 1.8 5.0 754 628 A 45 LEU HG A 48 LEU HD1% 1.0 1.8 5.0 755 629 A 45 LEU HD1% A 45 LEU HBy 1.0 1.8 5.0 756 630 A 45 LEU HBy A 45 LEU HD2% 1.0 1.8 5.0 757 631 A 45 LEU HD1% A 45 LEU HBx 1.0 1.8 5.0 758 632 A 45 LEU HBx A 45 LEU HD2% 1.0 1.8 5.0 759 633 A 45 LEU HBy A 46 HIS H 1.0 1.8 5.0 760 634 A 45 LEU HBx A 46 HIS H 1.0 1.8 5.0 761 635 A 45 LEU HD2% A 48 LEU HB2 1.0 1.8 5.0 762 635 A 45 LEU HD2% A 48 LEU HB3 1.0 1.8 5.0 763 636 A 45 LEU HD1% A 103 LEU HBx 1.0 1.8 5.0 764 636 A 45 LEU HD1% A 103 LEU HBy 1.0 1.8 5.0 765 637 A 46 HIS H A 46 HIS HB2 1.0 1.8 5.0 766 637 A 46 HIS H A 46 HIS HB3 1.0 1.8 5.0 767 638 A 46 HIS H A 46 HIS HA 1.0 1.8 5.0 768 639 A 46 HIS H A 46 HIS HD2 1.0 1.8 5.0 769 640 A 46 HIS H A 47 ASP H 1.0 1.8 3.5 770 641 A 81 VAL HG1% A 46 HIS H 1.0 1.8 5.0 771 642 A 46 HIS HD2 A 46 HIS HB2 1.0 1.8 5.0 772 642 A 46 HIS HB3 A 46 HIS HD2 1.0 1.8 5.0 773 643 A 47 ASP H A 46 HIS HB2 1.0 1.8 5.0 774 643 A 46 HIS HB3 A 47 ASP H 1.0 1.8 5.0 775 644 A 81 VAL HG1% A 46 HIS HB2 1.0 1.8 5.0 776 644 A 81 VAL HG1% A 46 HIS HB3 1.0 1.8 5.0 777 645 A 46 HIS HA A 46 HIS HD2 1.0 1.8 5.0 778 646 A 47 ASP H A 46 HIS HA 1.0 1.8 5.0 779 647 A 46 HIS HA A 50 VAL H 1.0 1.8 5.0 780 648 A 46 HIS HA A 51 PRO HA 1.0 1.8 5.0 781 649 A 46 HIS HA A 51 PRO HBy 1.0 1.8 5.0 782 650 A 46 HIS HA A 51 PRO HBx 1.0 1.8 5.0 783 651 A 46 HIS HA A 51 PRO HDy 1.0 1.8 5.0 784 651 A 46 HIS HA A 51 PRO HDx 1.0 1.8 5.0 785 652 A 81 VAL HG1% A 46 HIS HA 1.0 1.8 5.0 786 653 A 46 HIS HD2 A 51 PRO HBy 1.0 1.8 5.0 787 654 A 46 HIS HD2 A 51 PRO HBx 1.0 1.8 5.0 788 655 A 46 HIS HD2 A 51 PRO HGy 1.0 1.8 5.0 789 656 A 46 HIS HD2 A 51 PRO HGx 1.0 1.8 5.0 790 657 A 81 VAL HG1% A 46 HIS HD2 1.0 1.8 5.0 791 658 A 46 HIS HD2 A 82 ALA HA 1.0 1.8 5.0 792 659 A 47 ASP H A 47 ASP HA 1.0 1.8 3.5 793 660 A 47 ASP H A 47 ASP HBy 1.0 1.8 5.0 794 661 A 47 ASP H A 47 ASP HBx 1.0 1.8 5.0 795 662 A 47 ASP H A 48 LEU H 1.0 1.8 3.5 796 663 A 47 ASP H A 48 LEU HB2 1.0 1.8 5.0 797 663 A 47 ASP H A 48 LEU HB3 1.0 1.8 5.0 798 664 A 48 LEU H A 47 ASP HA 1.0 1.8 5.0 799 665 A 47 ASP HA A 49 GLY H 1.0 1.8 5.0 800 666 A 48 LEU H A 47 ASP HBy 1.0 1.8 5.0 801 667 A 48 LEU H A 47 ASP HBx 1.0 1.8 5.0 802 668 A 48 LEU HD2% A 47 ASP HBx 1.0 1.8 5.0 803 668 A 48 LEU HD2% A 47 ASP HBy 1.0 1.8 5.0 804 669 A 48 LEU H A 48 LEU HA 1.0 1.8 5.0 805 670 A 48 LEU H A 48 LEU HG 1.0 1.8 5.0 806 671 A 48 LEU H A 48 LEU HB2 1.0 1.8 5.0 807 671 A 48 LEU H A 48 LEU HB3 1.0 1.8 5.0 808 672 A 48 LEU HD1% A 48 LEU H 1.0 1.8 5.0 809 673 A 48 LEU HD2% A 48 LEU H 1.0 1.8 5.0 810 674 A 48 LEU H A 49 GLY H 1.0 1.8 3.5 811 675 A 48 LEU H A 50 VAL H 1.0 1.8 5.0 812 676 A 48 LEU HG A 48 LEU HA 1.0 1.8 5.0 813 677 A 48 LEU HD1% A 48 LEU HA 1.0 1.8 5.0 814 678 A 48 LEU HD2% A 48 LEU HA 1.0 1.8 5.0 815 679 A 49 GLY H A 48 LEU HA 1.0 1.8 5.0 816 680 A 48 LEU HD1% A 48 LEU HB2 1.0 1.8 5.0 817 680 A 48 LEU HD1% A 48 LEU HB3 1.0 1.8 5.0 818 681 A 48 LEU HD2% A 48 LEU HB2 1.0 1.8 5.0 819 681 A 48 LEU HD2% A 48 LEU HB3 1.0 1.8 5.0 820 682 A 49 GLY H A 48 LEU HB2 1.0 1.8 5.0 821 682 A 48 LEU HB3 A 49 GLY H 1.0 1.8 5.0 822 683 A 50 VAL H A 48 LEU HB2 1.0 1.8 5.0 823 683 A 48 LEU HB3 A 50 VAL H 1.0 1.8 5.0 824 684 A 50 VAL HG1% A 48 LEU HB2 1.0 1.8 5.0 825 684 A 48 LEU HB3 A 50 VAL HG1% 1.0 1.8 5.0 826 685 A 48 LEU HB2 A 107 VAL HGy% 1.0 1.8 5.0 827 685 A 48 LEU HB3 A 107 VAL HGy% 1.0 1.8 5.0 828 685 A 107 VAL HGx% A 48 LEU HB2 1.0 1.8 5.0 829 685 A 107 VAL HGx% A 48 LEU HB3 1.0 1.8 5.0 830 686 A 48 LEU HD1% A 104 LYS HA 1.0 1.8 5.0 831 687 A 48 LEU HD2% A 104 LYS HA 1.0 1.8 5.0 832 688 A 48 LEU HD1% A 104 LYS HBy 1.0 1.8 5.0 833 688 A 48 LEU HD1% A 104 LYS HBx 1.0 1.8 5.0 834 689 A 48 LEU HD1% A 104 LYS HG2 1.0 1.8 5.0 835 689 A 48 LEU HD1% A 104 LYS HG3 1.0 1.8 5.0 836 690 A 48 LEU HD2% A 104 LYS HG2 1.0 1.8 5.0 837 690 A 48 LEU HD2% A 104 LYS HG3 1.0 1.8 5.0 838 691 A 48 LEU HD1% A 107 VAL HB 1.0 1.8 5.0 839 692 A 49 GLY H A 49 GLY HAy 1.0 1.8 3.5 840 693 A 49 GLY H A 49 GLY HAx 1.0 1.8 5.0 841 694 A 50 VAL H A 49 GLY H 1.0 1.8 3.5 842 695 A 49 GLY H A 50 VAL HG2% 1.0 1.8 5.0 843 696 A 50 VAL H A 49 GLY HAy 1.0 1.8 5.0 844 697 A 50 VAL H A 49 GLY HAx 1.0 1.8 5.0 845 698 A 50 VAL H A 50 VAL HA 1.0 1.8 5.0 846 699 A 50 VAL H A 50 VAL HB 1.0 1.8 3.5 847 700 A 50 VAL H A 50 VAL HG1% 1.0 1.8 5.0 848 701 A 50 VAL H A 50 VAL HG2% 1.0 1.8 5.0 849 702 A 50 VAL H A 51 PRO HDx 1.0 1.8 5.0 850 703 A 50 VAL H A 51 PRO HDy 1.0 1.8 5.0 851 704 A 50 VAL HG1% A 50 VAL HA 1.0 1.8 5.0 852 705 A 50 VAL HG2% A 50 VAL HA 1.0 1.8 5.0 853 706 A 51 PRO HDx A 50 VAL HA 1.0 1.8 5.0 854 707 A 50 VAL HA A 51 PRO HDy 1.0 1.8 5.0 855 708 A 51 PRO HDx A 50 VAL HG1% 1.0 1.8 5.0 856 709 A 50 VAL HG1% A 51 PRO HDy 1.0 1.8 5.0 857 710 A 52 VAL H A 51 PRO HA 1.0 1.8 3.5 858 711 A 52 VAL H A 51 PRO HBx 1.0 1.8 5.0 859 711 A 52 VAL H A 51 PRO HBy 1.0 1.8 5.0 860 712 A 82 ALA HA A 51 PRO HBy 1.0 1.8 5.0 861 713 A 82 ALA HA A 51 PRO HBx 1.0 1.8 5.0 862 714 A 51 PRO HBy A 82 ALA HB% 1.0 1.8 5.0 863 715 A 82 ALA HB% A 51 PRO HBx 1.0 1.8 5.0 864 716 A 52 VAL H A 52 VAL HA 1.0 1.8 5.0 865 717 A 52 VAL H A 52 VAL HG1% 1.0 1.8 5.0 866 718 A 52 VAL H A 52 VAL HG2% 1.0 1.8 5.0 867 719 A 52 VAL HA A 52 VAL HG1% 1.0 1.8 5.0 868 720 A 52 VAL HA A 52 VAL HG2% 1.0 1.8 5.0 869 721 A 52 VAL HA A 53 SER H 1.0 1.8 5.0 870 722 A 52 VAL HG1% A 53 SER H 1.0 1.8 5.0 871 723 A 52 VAL HG2% A 53 SER H 1.0 1.8 5.0 872 724 A 53 SER HA A 54 PRO HA 1.0 1.8 5.0 873 725 A 53 SER HA A 54 PRO HGy 1.0 1.8 5.0 874 726 A 53 SER HA A 54 PRO HGx 1.0 1.8 5.0 875 727 A 53 SER HA A 54 PRO HDy 1.0 1.8 5.0 876 728 A 53 SER HA A 54 PRO HDx 1.0 1.8 5.0 877 729 A 53 SER HA A 55 GLU H 1.0 1.8 5.0 878 730 A 53 SER HBx A 54 PRO HGx 1.0 1.8 5.0 879 730 A 53 SER HBx A 54 PRO HGy 1.0 1.8 5.0 880 731 A 53 SER HBy A 54 PRO HDy 1.0 1.8 5.0 881 732 A 53 SER HBy A 54 PRO HDx 1.0 1.8 5.0 882 733 A 53 SER HBx A 54 PRO HDx 1.0 1.8 5.0 883 734 A 55 GLU H A 53 SER HBy 1.0 1.8 5.0 884 735 A 55 GLU H A 53 SER HBx 1.0 1.8 5.0 885 736 A 53 SER HBy A 55 GLU HBx 1.0 1.8 5.0 886 736 A 53 SER HBy A 55 GLU HBy 1.0 1.8 5.0 887 737 A 53 SER HBx A 55 GLU HBx 1.0 1.8 5.0 888 737 A 53 SER HBx A 55 GLU HBy 1.0 1.8 5.0 889 738 A 53 SER HBy A 56 VAL HB 1.0 1.8 5.0 890 739 A 53 SER HBy A 56 VAL HG2% 1.0 1.8 5.0 891 740 A 53 SER HBy A 56 VAL H 1.0 1.8 5.0 892 741 A 53 SER HBx A 56 VAL H 1.0 1.8 5.0 893 742 A 53 SER H A 53 SER HA 1.0 1.8 5.0 894 743 A 53 SER H A 53 SER HBy 1.0 1.8 5.0 895 744 A 53 SER H A 53 SER HBx 1.0 2.8 5.0 896 745 A 53 SER H A 56 VAL HG1% 1.0 1.8 5.0 897 746 A 53 SER H A 56 VAL HG2% 1.0 1.8 5.0 898 747 A 54 PRO HA A 55 GLU H 1.0 1.8 5.0 899 748 A 54 PRO HA A 56 VAL H 1.0 1.8 5.0 900 749 A 54 PRO HA A 57 VAL H 1.0 1.8 5.0 901 750 A 54 PRO HA A 57 VAL HB 1.0 1.8 5.0 902 751 A 54 PRO HA A 57 VAL HG1% 1.0 1.8 5.0 903 752 A 54 PRO HA A 57 VAL HG2% 1.0 1.8 5.0 904 753 A 54 PRO HA A 75 ALA HA 1.0 1.8 5.0 905 754 A 54 PRO HA A 75 ALA HB% 1.0 1.8 5.0 906 755 A 78 ALA HB% A 54 PRO HA 1.0 1.8 5.0 907 756 A 55 GLU H A 54 PRO HBy 1.0 1.8 5.0 908 757 A 55 GLU H A 54 PRO HBx 1.0 1.8 5.0 909 758 A 58 VAL HG2% A 54 PRO HBx 1.0 1.8 5.0 910 758 A 54 PRO HBy A 58 VAL HG2% 1.0 1.8 5.0 911 759 A 75 ALA HA A 54 PRO HBx 1.0 1.8 5.0 912 759 A 75 ALA HA A 54 PRO HBy 1.0 1.8 5.0 913 760 A 75 ALA HB% A 54 PRO HBy 1.0 1.8 5.0 914 761 A 75 ALA HB% A 54 PRO HBx 1.0 1.8 5.0 915 762 A 78 ALA HB% A 54 PRO HBx 1.0 1.8 5.0 916 762 A 78 ALA HB% A 54 PRO HBy 1.0 1.8 5.0 917 763 A 55 GLU H A 54 PRO HGx 1.0 1.8 5.0 918 763 A 55 GLU H A 54 PRO HGy 1.0 1.8 5.0 919 764 A 75 ALA HB% A 54 PRO HGx 1.0 1.8 5.0 920 764 A 54 PRO HGy A 75 ALA HB% 1.0 1.8 5.0 921 765 A 78 ALA HB% A 54 PRO HGy 1.0 1.8 5.0 922 766 A 78 ALA HB% A 54 PRO HGx 1.0 1.8 5.0 923 767 A 54 PRO HGy A 79 GLU H 1.0 1.8 5.0 924 768 A 79 GLU H A 54 PRO HGx 1.0 1.8 5.0 925 769 A 54 PRO HGy A 79 GLU HA 1.0 1.8 5.0 926 770 A 79 GLU HA A 54 PRO HGx 1.0 1.8 5.0 927 771 A 55 GLU H A 54 PRO HDy 1.0 1.8 5.0 928 772 A 55 GLU H A 54 PRO HDx 1.0 1.8 5.0 929 773 A 78 ALA HB% A 54 PRO HDy 1.0 1.8 5.0 930 774 A 78 ALA HB% A 54 PRO HDx 1.0 1.8 5.0 931 775 A 54 PRO HDy A 79 GLU HBy 1.0 1.8 5.0 932 775 A 54 PRO HDx A 79 GLU HBy 1.0 1.8 5.0 933 775 A 79 GLU HBx A 54 PRO HDx 1.0 1.8 5.0 934 775 A 54 PRO HDy A 79 GLU HBx 1.0 1.8 5.0 935 776 A 82 ALA HB% A 54 PRO HDy 1.0 1.8 5.0 936 777 A 82 ALA HB% A 54 PRO HDx 1.0 1.8 5.0 937 778 A 55 GLU H A 55 GLU HA 1.0 1.8 3.5 938 779 A 55 GLU H A 55 GLU HBx 1.0 1.8 3.5 939 780 A 55 GLU H A 55 GLU HBy 1.0 1.8 3.5 940 781 A 55 GLU H A 55 GLU HGy 1.0 1.8 5.0 941 782 A 55 GLU H A 55 GLU HGx 1.0 1.8 5.0 942 783 A 55 GLU H A 56 VAL HG2% 1.0 1.8 5.0 943 784 A 55 GLU H A 56 VAL H 1.0 1.8 3.5 944 785 A 55 GLU H A 57 VAL H 1.0 1.8 5.0 945 786 A 55 GLU H A 58 VAL HG2% 1.0 1.8 5.0 946 787 A 55 GLU H A 58 VAL H 1.0 1.8 5.0 947 788 A 55 GLU HA A 55 GLU HGy 1.0 1.8 5.0 948 789 A 55 GLU HA A 55 GLU HGx 1.0 1.8 5.0 949 790 A 56 VAL H A 55 GLU HA 1.0 1.8 5.0 950 791 A 55 GLU HA A 58 VAL HB 1.0 1.8 5.0 951 792 A 55 GLU HA A 58 VAL HG1% 1.0 1.8 5.0 952 793 A 58 VAL HG2% A 55 GLU HA 1.0 1.8 5.0 953 794 A 55 GLU HA A 58 VAL H 1.0 1.8 5.0 954 795 A 55 GLU HA A 59 ALA H 1.0 1.8 5.0 955 796 A 56 VAL HG1% A 55 GLU HBx 1.0 1.8 5.0 956 796 A 55 GLU HBy A 56 VAL HG1% 1.0 1.8 5.0 957 797 A 56 VAL HG2% A 55 GLU HBx 1.0 1.8 5.0 958 797 A 55 GLU HBy A 56 VAL HG2% 1.0 1.8 5.0 959 798 A 56 VAL H A 55 GLU HBx 1.0 1.8 5.0 960 799 A 55 GLU HBy A 56 VAL H 1.0 1.8 5.0 961 800 A 56 VAL H A 55 GLU HGy 1.0 1.8 5.0 962 801 A 56 VAL H A 55 GLU HGx 1.0 1.8 5.0 963 802 A 59 ALA HB% A 55 GLU HGy 1.0 1.8 5.0 964 802 A 55 GLU HGx A 59 ALA HB% 1.0 1.8 5.0 965 803 A 56 VAL HG1% A 56 VAL HA 1.0 1.8 5.0 966 804 A 56 VAL HG2% A 56 VAL HA 1.0 1.8 5.0 967 805 A 57 VAL H A 56 VAL HA 1.0 1.8 5.0 968 806 A 59 ALA HB% A 56 VAL HA 1.0 1.8 5.0 969 807 A 56 VAL HA A 60 ARG H 1.0 1.8 5.0 970 808 A 56 VAL HB A 57 VAL H 1.0 1.8 5.0 971 809 A 56 VAL HG1% A 57 VAL H 1.0 1.8 5.0 972 810 A 56 VAL HG2% A 57 VAL H 1.0 1.8 5.0 973 811 A 56 VAL H A 56 VAL HA 1.0 1.8 5.0 974 812 A 56 VAL HB A 56 VAL H 1.0 1.8 3.5 975 813 A 56 VAL H A 56 VAL HG1% 1.0 1.8 5.0 976 814 A 56 VAL HG2% A 56 VAL H 1.0 1.8 5.0 977 815 A 56 VAL H A 57 VAL H 1.0 1.8 3.5 978 816 A 57 VAL HA A 57 VAL H 1.0 1.8 5.0 979 817 A 57 VAL H A 57 VAL HB 1.0 1.8 3.5 980 818 A 57 VAL H A 57 VAL HG1% 1.0 1.8 5.0 981 819 A 57 VAL H A 57 VAL HG2% 1.0 1.8 5.0 982 820 A 57 VAL H A 58 VAL H 1.0 1.8 5.0 983 821 A 57 VAL HA A 57 VAL HG1% 1.0 1.8 5.0 984 822 A 57 VAL HA A 57 VAL HG2% 1.0 1.8 5.0 985 823 A 57 VAL HA A 58 VAL H 1.0 1.8 5.0 986 824 A 57 VAL HA A 60 ARG H 1.0 1.8 5.0 987 825 A 57 VAL HA A 60 ARG HBx 1.0 1.8 5.0 988 825 A 57 VAL HA A 60 ARG HBy 1.0 1.8 5.0 989 826 A 57 VAL HA A 61 GLY H 1.0 1.8 5.0 990 827 A 57 VAL HB A 58 VAL H 1.0 1.8 5.0 991 828 A 66 TRP HZ3 A 57 VAL HB 1.0 1.8 5.0 992 829 A 57 VAL HB A 75 ALA HA 1.0 1.8 5.0 993 830 A 57 VAL HB A 75 ALA HB% 1.0 1.8 5.0 994 831 A 78 ALA HB% A 57 VAL HB 1.0 1.8 5.0 995 832 A 57 VAL HG1% A 58 VAL H 1.0 1.8 5.0 996 833 A 57 VAL HG1% A 60 ARG H 1.0 1.8 5.0 997 834 A 57 VAL HG1% A 60 ARG HBx 1.0 1.8 5.0 998 834 A 60 ARG HBy A 57 VAL HG1% 1.0 1.8 5.0 999 835 A 66 TRP HH2 A 57 VAL HG1% 1.0 1.8 5.0 1000 836 A 66 TRP HH2 A 57 VAL HG2% 1.0 1.8 5.0 1001 837 A 66 TRP HZ3 A 57 VAL HG1% 1.0 1.8 5.0 1002 838 A 66 TRP HZ3 A 57 VAL HG2% 1.0 1.8 5.0 1003 839 A 57 VAL HG1% A 66 TRP HE3 1.0 1.8 5.0 1004 840 A 57 VAL HG1% A 71 THR HG2% 1.0 1.8 5.0 1005 841 A 57 VAL HG1% A 71 THR HA 1.0 1.8 5.0 1006 842 A 57 VAL HG1% A 74 VAL HB 1.0 1.8 5.0 1007 843 A 74 VAL HG2% A 57 VAL HG1% 1.0 1.8 5.0 1008 844 A 57 VAL HG1% A 75 ALA H 1.0 1.8 5.0 1009 845 A 57 VAL HG1% A 75 ALA HA 1.0 1.8 5.0 1010 846 A 78 ALA HB% A 57 VAL HG1% 1.0 1.8 5.0 1011 847 A 78 ALA HB% A 57 VAL HG2% 1.0 1.8 5.0 1012 848 A 58 VAL HG1% A 58 VAL HA 1.0 1.8 5.0 1013 849 A 58 VAL HG2% A 58 VAL HA 1.0 1.8 5.0 1014 850 A 59 ALA H A 58 VAL HA 1.0 1.8 5.0 1015 851 A 61 GLY H A 58 VAL HA 1.0 1.8 5.0 1016 852 A 58 VAL HA A 62 GLU H 1.0 1.8 5.0 1017 853 A 71 THR HG2% A 58 VAL HA 1.0 1.8 5.0 1018 854 A 58 VAL HB A 59 ALA H 1.0 1.8 3.5 1019 855 A 58 VAL HB A 59 ALA HB% 1.0 1.8 5.0 1020 856 A 58 VAL HB A 59 ALA HA 1.0 1.8 5.0 1021 857 A 58 VAL HG1% A 59 ALA H 1.0 1.8 5.0 1022 858 A 58 VAL HG2% A 59 ALA H 1.0 1.8 5.0 1023 859 A 58 VAL HG1% A 59 ALA HA 1.0 1.8 5.0 1024 860 A 58 VAL HG1% A 62 GLU H 1.0 1.8 5.0 1025 861 A 58 VAL HG1% A 62 GLU HBy 1.0 1.8 5.0 1026 861 A 58 VAL HG1% A 62 GLU HBx 1.0 1.8 5.0 1027 862 A 58 VAL HG1% A 62 GLU HGy 1.0 1.8 5.0 1028 862 A 58 VAL HG1% A 62 GLU HGx 1.0 1.8 5.0 1029 863 A 58 VAL HG2% A 71 THR HG2% 1.0 1.8 5.0 1030 864 A 75 ALA HB% A 58 VAL HG2% 1.0 1.8 5.0 1031 865 A 58 VAL H A 58 VAL HA 1.0 1.8 3.5 1032 866 A 58 VAL H A 58 VAL HB 1.0 1.8 3.5 1033 867 A 58 VAL H A 58 VAL HG1% 1.0 1.8 5.0 1034 868 A 58 VAL HG2% A 58 VAL H 1.0 1.8 5.0 1035 869 A 58 VAL H A 59 ALA H 1.0 1.8 3.5 1036 870 A 58 VAL H A 59 ALA HB% 1.0 1.8 5.0 1037 871 A 75 ALA HB% A 58 VAL H 1.0 1.8 5.0 1038 872 A 59 ALA H A 59 ALA HB% 1.0 1.8 5.0 1039 873 A 59 ALA H A 59 ALA HA 1.0 1.8 5.0 1040 874 A 59 ALA H A 60 ARG H 1.0 1.8 2.9 1041 875 A 59 ALA HB% A 63 GLN HBx 1.0 1.8 5.0 1042 875 A 59 ALA HB% A 63 GLN HBy 1.0 1.8 5.0 1043 876 A 62 GLU H A 59 ALA HA 1.0 1.8 5.0 1044 877 A 59 ALA HA A 62 GLU HBy 1.0 1.8 5.0 1045 878 A 59 ALA HA A 62 GLU HBx 1.0 1.8 5.0 1046 879 A 59 ALA HA A 62 GLU HGy 1.0 1.8 5.0 1047 880 A 59 ALA HA A 62 GLU HGx 1.0 1.8 5.0 1048 881 A 59 ALA HA A 63 GLN H 1.0 1.8 5.0 1049 882 A 60 ARG H A 60 ARG HA 1.0 1.8 5.0 1050 883 A 60 ARG H A 60 ARG HBx 1.0 1.8 5.0 1051 883 A 60 ARG HBy A 60 ARG H 1.0 1.8 5.0 1052 884 A 60 ARG H A 61 GLY H 1.0 1.8 3.5 1053 885 A 60 ARG HA A 60 ARG HGy 1.0 1.8 5.0 1054 886 A 60 ARG HA A 60 ARG HGx 1.0 1.8 5.0 1055 887 A 60 ARG HA A 60 ARG HDy 1.0 1.8 5.0 1056 888 A 60 ARG HA A 60 ARG HDx 1.0 1.8 5.0 1057 889 A 60 ARG HA A 60 ARG HE 1.0 1.8 5.0 1058 890 A 61 GLY H A 60 ARG HA 1.0 1.8 5.0 1059 891 A 63 GLN H A 60 ARG HA 1.0 1.8 5.0 1060 892 A 60 ARG HA A 63 GLN HBx 1.0 1.8 5.0 1061 893 A 63 GLN HBy A 60 ARG HA 1.0 1.8 5.0 1062 894 A 60 ARG HA A 64 GLU H 1.0 1.8 5.0 1063 895 A 60 ARG HE A 60 ARG HBx 1.0 1.8 5.0 1064 896 A 60 ARG HBy A 60 ARG HE 1.0 1.8 5.0 1065 897 A 61 GLY H A 60 ARG HBx 1.0 1.8 5.0 1066 897 A 60 ARG HBy A 61 GLY H 1.0 1.8 5.0 1067 898 A 60 ARG HE A 60 ARG HGy 1.0 1.8 5.0 1068 899 A 60 ARG HE A 60 ARG HGx 1.0 1.8 5.0 1069 900 A 61 GLY H A 60 ARG HGx 1.0 1.8 5.0 1070 900 A 61 GLY H A 60 ARG HGy 1.0 1.8 5.0 1071 901 A 66 TRP HZ2 A 60 ARG HGy 1.0 1.8 5.0 1072 902 A 66 TRP HZ2 A 60 ARG HGx 1.0 1.8 5.0 1073 903 A 60 ARG HDy A 63 GLN HE22 1.0 1.8 5.0 1074 904 A 60 ARG HDx A 63 GLN HE22 1.0 1.8 5.0 1075 905 A 60 ARG HDy A 64 GLU HG2 1.0 1.8 5.0 1076 905 A 60 ARG HDy A 64 GLU HG3 1.0 1.8 5.0 1077 906 A 60 ARG HDx A 64 GLU HG2 1.0 1.8 5.0 1078 906 A 60 ARG HDx A 64 GLU HG3 1.0 1.8 5.0 1079 907 A 66 TRP HZ2 A 60 ARG HDy 1.0 1.8 5.0 1080 908 A 66 TRP HZ2 A 60 ARG HDx 1.0 1.8 5.0 1081 909 A 60 ARG HE A 64 GLU HG2 1.0 1.8 5.0 1082 909 A 60 ARG HE A 64 GLU HG3 1.0 1.8 5.0 1083 910 A 61 GLY H A 61 GLY HAy 1.0 1.8 5.0 1084 911 A 61 GLY H A 61 GLY HAx 1.0 1.8 5.0 1085 912 A 61 GLY H A 62 GLU H 1.0 1.8 3.5 1086 913 A 61 GLY H A 71 THR HG2% 1.0 1.8 5.0 1087 914 A 62 GLU H A 61 GLY HAy 1.0 1.8 5.0 1088 915 A 62 GLU H A 61 GLY HAx 1.0 1.8 5.0 1089 916 A 64 GLU H A 61 GLY HAy 1.0 1.8 5.0 1090 917 A 64 GLU H A 61 GLY HAx 1.0 1.8 5.0 1091 918 A 64 GLU HBx A 61 GLY HAy 1.0 1.8 5.0 1092 918 A 61 GLY HAy A 64 GLU HBy 1.0 1.8 5.0 1093 919 A 64 GLU HBx A 61 GLY HAx 1.0 1.8 5.0 1094 919 A 61 GLY HAx A 64 GLU HBy 1.0 1.8 5.0 1095 920 A 65 GLY H A 61 GLY HAx 1.0 1.8 5.0 1096 920 A 61 GLY HAy A 65 GLY H 1.0 1.8 5.0 1097 921 A 66 TRP H A 61 GLY HAx 1.0 1.8 5.0 1098 921 A 61 GLY HAy A 66 TRP H 1.0 1.8 5.0 1099 922 A 66 TRP HD1 A 61 GLY HAx 1.0 1.8 5.0 1100 922 A 61 GLY HAy A 66 TRP HD1 1.0 1.8 5.0 1101 923 A 66 TRP HE3 A 61 GLY HAy 1.0 1.8 5.0 1102 924 A 66 TRP HE3 A 61 GLY HAx 1.0 1.8 5.0 1103 925 A 62 GLU H A 62 GLU HA 1.0 1.8 3.5 1104 926 A 62 GLU H A 62 GLU HBy 1.0 1.8 5.0 1105 927 A 62 GLU H A 62 GLU HBx 1.0 1.8 5.0 1106 928 A 62 GLU H A 62 GLU HGy 1.0 1.8 5.0 1107 929 A 62 GLU H A 62 GLU HGx 1.0 1.8 5.0 1108 930 A 62 GLU H A 63 GLN H 1.0 1.8 3.5 1109 931 A 71 THR HG2% A 62 GLU H 1.0 1.8 5.0 1110 932 A 62 GLU HA A 62 GLU HGy 1.0 1.8 5.0 1111 933 A 62 GLU HGx A 62 GLU HA 1.0 1.8 5.0 1112 934 A 63 GLN H A 62 GLU HA 1.0 1.8 5.0 1113 935 A 65 GLY H A 62 GLU HA 1.0 1.8 5.0 1114 936 A 63 GLN H A 62 GLU HBy 1.0 1.8 5.0 1115 937 A 62 GLU HBx A 63 GLN H 1.0 1.8 5.0 1116 938 A 63 GLN H A 62 GLU HGy 1.0 1.8 5.0 1117 938 A 62 GLU HGx A 63 GLN H 1.0 1.8 5.0 1118 939 A 63 GLN H A 63 GLN HA 1.0 1.8 5.0 1119 940 A 63 GLN H A 63 GLN HBx 1.0 1.8 5.0 1120 941 A 63 GLN HBy A 63 GLN H 1.0 1.8 5.0 1121 942 A 63 GLN H A 63 GLN HGy 1.0 1.8 5.0 1122 943 A 63 GLN H A 63 GLN HGx 1.0 1.8 5.0 1123 944 A 63 GLN H A 64 GLU H 1.0 1.8 3.5 1124 945 A 63 GLN H A 64 GLU HBy 1.0 1.8 5.0 1125 945 A 63 GLN H A 64 GLU HBx 1.0 1.8 5.0 1126 946 A 63 GLN HA A 63 GLN HGy 1.0 1.8 5.0 1127 947 A 63 GLN HA A 63 GLN HGx 1.0 1.8 5.0 1128 948 A 64 GLU H A 63 GLN HA 1.0 1.8 3.5 1129 949 A 64 GLU H A 63 GLN HBx 1.0 1.8 5.0 1130 950 A 63 GLN HBy A 64 GLU H 1.0 1.8 5.0 1131 951 A 65 GLY H A 63 GLN HBx 1.0 1.8 5.0 1132 951 A 63 GLN HBy A 65 GLY H 1.0 1.8 5.0 1133 952 A 63 GLN HGy A 63 GLN HE21 1.0 1.8 5.0 1134 953 A 63 GLN HE22 A 63 GLN HGy 1.0 1.8 5.0 1135 954 A 63 GLN HGx A 63 GLN HE21 1.0 1.8 5.0 1136 955 A 63 GLN HE22 A 63 GLN HGx 1.0 1.8 5.0 1137 956 A 64 GLU H A 63 GLN HGy 1.0 1.8 5.0 1138 957 A 64 GLU H A 63 GLN HGx 1.0 1.8 5.0 1139 958 A 64 GLU H A 64 GLU HA 1.0 1.8 3.5 1140 959 A 64 GLU H A 64 GLU HBy 1.0 1.8 5.0 1141 960 A 64 GLU H A 64 GLU HBx 1.0 1.8 5.0 1142 961 A 64 GLU H A 64 GLU HG2 1.0 1.8 5.0 1143 961 A 64 GLU H A 64 GLU HG3 1.0 1.8 5.0 1144 962 A 64 GLU H A 65 GLY H 1.0 1.8 3.5 1145 963 A 66 TRP HE1 A 64 GLU H 1.0 1.8 5.0 1146 964 A 64 GLU H A 66 TRP HD1 1.0 1.8 5.0 1147 965 A 64 GLU HA A 64 GLU HG2 1.0 1.8 5.0 1148 965 A 64 GLU HG3 A 64 GLU HA 1.0 1.8 5.0 1149 966 A 65 GLY H A 64 GLU HA 1.0 1.8 5.0 1150 967 A 65 GLY H A 64 GLU HBy 1.0 1.8 5.0 1151 967 A 64 GLU HBx A 65 GLY H 1.0 1.8 5.0 1152 968 A 66 TRP HE1 A 64 GLU HBy 1.0 1.8 5.0 1153 969 A 66 TRP HE1 A 64 GLU HBx 1.0 1.8 5.0 1154 970 A 66 TRP HD1 A 64 GLU HBy 1.0 1.8 5.0 1155 971 A 64 GLU HBx A 66 TRP HD1 1.0 1.8 5.0 1156 972 A 66 TRP HZ2 A 64 GLU HG2 1.0 1.8 5.0 1157 972 A 66 TRP HZ2 A 64 GLU HG3 1.0 1.8 5.0 1158 973 A 65 GLY H A 65 GLY HAx 1.0 1.8 5.0 1159 974 A 65 GLY H A 65 GLY HAy 1.0 1.8 3.5 1160 975 A 65 GLY H A 66 TRP H 1.0 1.8 3.5 1161 976 A 65 GLY H A 66 TRP HD1 1.0 1.8 5.0 1162 977 A 66 TRP H A 65 GLY HAx 1.0 1.8 5.0 1163 978 A 66 TRP H A 65 GLY HAy 1.0 1.8 5.0 1164 979 A 66 TRP H A 66 TRP HA 1.0 1.8 5.0 1165 980 A 66 TRP H A 66 TRP HBy 1.0 1.8 5.0 1166 981 A 66 TRP H A 66 TRP HBx 1.0 1.8 5.0 1167 982 A 66 TRP H A 66 TRP HD1 1.0 1.8 5.0 1168 983 A 66 TRP HE1 A 66 TRP HA 1.0 1.8 5.0 1169 984 A 66 TRP HD1 A 66 TRP HA 1.0 1.8 5.0 1170 985 A 66 TRP HA A 67 ASN H 1.0 1.8 5.0 1171 986 A 66 TRP HA A 67 ASN HBy 1.0 1.8 5.0 1172 986 A 66 TRP HA A 67 ASN HBx 1.0 1.8 5.0 1173 987 A 66 TRP HD1 A 66 TRP HBy 1.0 1.8 5.0 1174 987 A 66 TRP HD1 A 66 TRP HBx 1.0 1.8 5.0 1175 988 A 66 TRP HE3 A 66 TRP HBy 1.0 1.8 5.0 1176 989 A 66 TRP HE3 A 66 TRP HBx 1.0 1.8 5.0 1177 990 A 67 ASN H A 66 TRP HBy 1.0 1.8 5.0 1178 990 A 67 ASN H A 66 TRP HBx 1.0 1.8 5.0 1179 991 A 66 TRP HD1 A 67 ASN H 1.0 1.8 5.0 1180 992 A 66 TRP HZ3 A 70 PHE HD% 1.0 1.8 5.0 1181 993 A 66 TRP HZ3 A 71 THR HG2% 1.0 1.8 5.0 1182 994 A 66 TRP HZ3 A 71 THR HA 1.0 1.8 5.0 1183 995 A 74 VAL HG2% A 66 TRP HZ3 1.0 1.8 5.0 1184 996 A 66 TRP HE3 A 70 PHE HD% 1.0 1.8 5.0 1185 997 A 70 PHE HE% A 66 TRP HE3 1.0 1.8 5.0 1186 998 A 66 TRP HE3 A 71 THR HG2% 1.0 1.8 5.0 1187 999 A 66 TRP HE3 A 71 THR HA 1.0 1.8 5.0 1188 1000 A 67 ASN H A 67 ASN HA 1.0 1.8 5.0 1189 1001 A 67 ASN H A 67 ASN HBy 1.0 1.8 5.0 1190 1001 A 67 ASN H A 67 ASN HBx 1.0 1.8 5.0 1191 1002 A 67 ASN HA A 68 PRO HG2 1.0 1.8 5.0 1192 1002 A 67 ASN HA A 68 PRO HG3 1.0 1.8 5.0 1193 1003 A 67 ASN HA A 68 PRO HDx 1.0 1.8 5.0 1194 1004 A 67 ASN HA A 68 PRO HDy 1.0 1.8 5.0 1195 1005 A 67 ASN HD2x A 67 ASN HBy 1.0 1.8 5.0 1196 1005 A 67 ASN HBx A 67 ASN HD2x 1.0 1.8 5.0 1197 1006 A 67 ASN HD2y A 67 ASN HBy 1.0 1.8 5.0 1198 1006 A 67 ASN HBx A 67 ASN HD2y 1.0 1.8 5.0 1199 1007 A 67 ASN HBx A 68 PRO HDx 1.0 1.8 5.0 1200 1007 A 68 PRO HDx A 67 ASN HBy 1.0 1.8 5.0 1201 1008 A 67 ASN HBx A 68 PRO HDy 1.0 1.8 5.0 1202 1008 A 67 ASN HBy A 68 PRO HDy 1.0 1.8 5.0 1203 1009 A 70 PHE H A 67 ASN HBy 1.0 1.8 5.0 1204 1009 A 70 PHE H A 67 ASN HBx 1.0 1.8 5.0 1205 1010 A 67 ASN HD2x A 68 PRO HDx 1.0 1.8 5.0 1206 1010 A 67 ASN HD2y A 68 PRO HDx 1.0 1.8 5.0 1207 1010 A 67 ASN HD2y A 68 PRO HDy 1.0 1.8 5.0 1208 1010 A 67 ASN HD2x A 68 PRO HDy 1.0 1.8 5.0 1209 1011 A 69 GLU H A 68 PRO HA 1.0 1.8 5.0 1210 1012 A 68 PRO HA A 71 THR H 1.0 1.8 5.0 1211 1013 A 68 PRO HA A 71 THR HB 1.0 1.8 5.0 1212 1014 A 71 THR HG2% A 68 PRO HA 1.0 1.8 5.0 1213 1015 A 68 PRO HA A 72 LYS H 1.0 1.8 5.0 1214 1016 A 69 GLU H A 68 PRO HBy 1.0 1.8 5.0 1215 1017 A 69 GLU H A 68 PRO HBx 1.0 1.8 5.0 1216 1018 A 69 GLU H A 68 PRO HG2 1.0 1.8 5.0 1217 1018 A 69 GLU H A 68 PRO HG3 1.0 1.8 5.0 1218 1019 A 68 PRO HG3 A 69 GLU HGx 1.0 1.8 5.0 1219 1019 A 68 PRO HG2 A 69 GLU HGx 1.0 1.8 5.0 1220 1019 A 69 GLU HGy A 68 PRO HG2 1.0 1.8 5.0 1221 1019 A 68 PRO HG3 A 69 GLU HGy 1.0 1.8 5.0 1222 1020 A 69 GLU H A 68 PRO HDx 1.0 1.8 5.0 1223 1021 A 69 GLU H A 68 PRO HDy 1.0 1.8 5.0 1224 1022 A 69 GLU H A 69 GLU HA 1.0 1.8 5.0 1225 1023 A 69 GLU H A 69 GLU HBy 1.0 1.8 5.0 1226 1024 A 69 GLU H A 69 GLU HBx 1.0 1.8 5.0 1227 1025 A 69 GLU H A 69 GLU HGx 1.0 1.8 5.0 1228 1026 A 69 GLU H A 69 GLU HGy 1.0 1.8 5.0 1229 1027 A 69 GLU H A 70 PHE H 1.0 1.8 3.5 1230 1028 A 69 GLU H A 71 THR H 1.0 1.8 5.0 1231 1029 A 69 GLU HA A 69 GLU HGx 1.0 1.8 5.0 1232 1030 A 69 GLU HGy A 69 GLU HA 1.0 1.8 5.0 1233 1031 A 72 LYS H A 69 GLU HA 1.0 1.8 5.0 1234 1032 A 69 GLU HA A 72 LYS HBy 1.0 1.8 5.0 1235 1033 A 69 GLU HA A 72 LYS HBx 1.0 1.8 5.0 1236 1034 A 69 GLU HA A 73 LYS H 1.0 1.8 5.0 1237 1035 A 69 GLU HBy A 70 PHE H 1.0 1.8 5.0 1238 1036 A 69 GLU HBx A 70 PHE H 1.0 1.8 5.0 1239 1037 A 70 PHE H A 70 PHE HA 1.0 1.8 5.0 1240 1038 A 70 PHE H A 70 PHE HBx 1.0 1.8 5.0 1241 1039 A 70 PHE H A 70 PHE HBy 1.0 1.8 5.0 1242 1040 A 70 PHE H A 70 PHE HD% 1.0 1.8 5.0 1243 1041 A 70 PHE H A 71 THR H 1.0 1.8 3.5 1244 1042 A 70 PHE H A 71 THR HB 1.0 1.8 5.0 1245 1043 A 70 PHE HD% A 70 PHE HA 1.0 1.8 5.0 1246 1044 A 71 THR H A 70 PHE HA 1.0 1.8 5.0 1247 1045 A 70 PHE HA A 73 LYS HBy 1.0 1.8 5.0 1248 1045 A 70 PHE HA A 73 LYS HBx 1.0 1.8 5.0 1249 1046 A 70 PHE HA A 73 LYS HG2 1.0 1.8 5.0 1250 1046 A 70 PHE HA A 73 LYS HG3 1.0 1.8 5.0 1251 1047 A 70 PHE HA A 73 LYS HDy 1.0 1.8 5.0 1252 1047 A 70 PHE HA A 73 LYS HDx 1.0 1.8 5.0 1253 1048 A 70 PHE HD% A 70 PHE HBx 1.0 1.8 5.0 1254 1049 A 70 PHE HD% A 70 PHE HBy 1.0 1.8 5.0 1255 1050 A 71 THR H A 70 PHE HBx 1.0 1.8 5.0 1256 1051 A 71 THR H A 70 PHE HBy 1.0 1.8 5.0 1257 1052 A 70 PHE HD% A 71 THR H 1.0 1.8 5.0 1258 1053 A 71 THR HA A 70 PHE HD% 1.0 1.8 5.0 1259 1054 A 70 PHE HE% A 74 VAL HG2% 1.0 1.8 5.0 1260 1055 A 70 PHE HZ A 74 VAL HG2% 1.0 1.8 5.0 1261 1056 A 71 THR H A 71 THR HB 1.0 1.8 5.0 1262 1057 A 71 THR HG2% A 71 THR H 1.0 1.8 5.0 1263 1058 A 71 THR HA A 71 THR H 1.0 1.8 5.0 1264 1059 A 71 THR H A 72 LYS H 1.0 1.8 5.0 1265 1060 A 71 THR HB A 72 LYS H 1.0 1.8 3.5 1266 1061 A 71 THR HG2% A 72 LYS H 1.0 1.8 5.0 1267 1062 A 71 THR HG2% A 71 THR HA 1.0 1.8 5.0 1268 1063 A 71 THR HA A 72 LYS H 1.0 1.8 5.0 1269 1064 A 71 THR HA A 74 VAL H 1.0 1.8 5.0 1270 1065 A 71 THR HA A 74 VAL HB 1.0 1.8 5.0 1271 1066 A 74 VAL HG2% A 71 THR HA 1.0 1.8 5.0 1272 1067 A 71 THR HA A 75 ALA H 1.0 1.8 5.0 1273 1068 A 72 LYS H A 72 LYS HA 1.0 1.8 3.5 1274 1069 A 72 LYS H A 72 LYS HBy 1.0 1.8 3.5 1275 1070 A 72 LYS H A 72 LYS HBx 1.0 1.8 3.5 1276 1071 A 72 LYS H A 72 LYS HGy 1.0 1.8 5.0 1277 1072 A 72 LYS H A 72 LYS HGx 1.0 1.8 5.0 1278 1073 A 72 LYS H A 73 LYS H 1.0 1.8 3.5 1279 1074 A 72 LYS HA A 72 LYS HGy 1.0 1.8 5.0 1280 1075 A 72 LYS HA A 72 LYS HGx 1.0 1.8 5.0 1281 1076 A 73 LYS H A 72 LYS HA 1.0 1.8 5.0 1282 1077 A 75 ALA H A 72 LYS HA 1.0 1.8 5.0 1283 1078 A 75 ALA HB% A 72 LYS HA 1.0 1.8 5.0 1284 1079 A 72 LYS HA A 76 GLY H 1.0 1.8 5.0 1285 1080 A 72 LYS HE3 A 72 LYS HBy 1.0 1.8 5.0 1286 1080 A 72 LYS HBy A 72 LYS HE2 1.0 1.8 5.0 1287 1081 A 72 LYS HE3 A 72 LYS HBx 1.0 1.8 5.0 1288 1081 A 72 LYS HBx A 72 LYS HE2 1.0 1.8 5.0 1289 1082 A 73 LYS H A 72 LYS HBy 1.0 1.8 5.0 1290 1083 A 73 LYS H A 72 LYS HBx 1.0 1.8 5.0 1291 1084 A 73 LYS HA A 72 LYS HBx 1.0 1.8 5.0 1292 1084 A 72 LYS HBy A 73 LYS HA 1.0 1.8 5.0 1293 1085 A 72 LYS HGy A 72 LYS HE2 1.0 1.8 5.0 1294 1085 A 72 LYS HE3 A 72 LYS HGy 1.0 1.8 5.0 1295 1086 A 72 LYS HE3 A 72 LYS HGx 1.0 1.8 5.0 1296 1086 A 72 LYS HE2 A 72 LYS HGx 1.0 1.8 5.0 1297 1087 A 73 LYS H A 72 LYS HGx 1.0 1.8 5.0 1298 1087 A 73 LYS H A 72 LYS HGy 1.0 1.8 5.0 1299 1088 A 73 LYS HA A 72 LYS HGx 1.0 1.8 5.0 1300 1088 A 73 LYS HA A 72 LYS HGy 1.0 1.8 5.0 1301 1089 A 73 LYS H A 72 LYS HD2 1.0 1.8 5.0 1302 1089 A 73 LYS H A 72 LYS HD3 1.0 1.8 5.0 1303 1090 A 73 LYS H A 73 LYS HA 1.0 1.8 3.5 1304 1091 A 73 LYS H A 73 LYS HBx 1.0 1.8 3.5 1305 1092 A 73 LYS H A 73 LYS HBy 1.0 1.8 3.5 1306 1093 A 73 LYS H A 73 LYS HG2 1.0 1.8 5.0 1307 1093 A 73 LYS H A 73 LYS HG3 1.0 1.8 5.0 1308 1094 A 73 LYS H A 73 LYS HDx 1.0 1.8 5.0 1309 1095 A 73 LYS H A 73 LYS HDy 1.0 1.8 5.0 1310 1096 A 73 LYS H A 73 LYS HE2 1.0 1.8 5.0 1311 1096 A 73 LYS H A 73 LYS HE3 1.0 1.8 5.0 1312 1097 A 73 LYS H A 74 VAL H 1.0 1.8 3.5 1313 1098 A 74 VAL HG2% A 73 LYS H 1.0 1.8 5.0 1314 1099 A 75 ALA H A 73 LYS H 1.0 1.8 5.0 1315 1100 A 73 LYS HA A 73 LYS HG2 1.0 1.8 5.0 1316 1100 A 73 LYS HG3 A 73 LYS HA 1.0 1.8 5.0 1317 1101 A 73 LYS HDx A 73 LYS HA 1.0 1.8 5.0 1318 1102 A 73 LYS HA A 73 LYS HDy 1.0 1.8 5.0 1319 1103 A 74 VAL H A 73 LYS HA 1.0 1.8 5.0 1320 1104 A 76 GLY H A 73 LYS HA 1.0 1.8 5.0 1321 1105 A 77 TRP H A 73 LYS HA 1.0 1.8 5.0 1322 1106 A 77 TRP HE1 A 73 LYS HA 1.0 1.8 5.0 1323 1107 A 73 LYS HBx A 73 LYS HE3 1.0 1.8 5.0 1324 1107 A 73 LYS HBx A 73 LYS HE2 1.0 1.8 5.0 1325 1108 A 73 LYS HE3 A 73 LYS HBy 1.0 1.8 5.0 1326 1108 A 73 LYS HBy A 73 LYS HE2 1.0 1.8 5.0 1327 1109 A 73 LYS HBx A 74 VAL H 1.0 1.8 5.0 1328 1110 A 74 VAL H A 73 LYS HBy 1.0 1.8 5.0 1329 1111 A 77 TRP HE1 A 73 LYS HBx 1.0 1.8 5.0 1330 1112 A 77 TRP HE1 A 73 LYS HBy 1.0 1.8 5.0 1331 1113 A 77 TRP HZ2 A 73 LYS HBx 1.0 1.8 5.0 1332 1114 A 77 TRP HZ2 A 73 LYS HBy 1.0 1.8 5.0 1333 1115 A 73 LYS HE3 A 73 LYS HG2 1.0 1.8 5.0 1334 1115 A 73 LYS HE2 A 73 LYS HG2 1.0 1.8 5.0 1335 1115 A 73 LYS HG3 A 73 LYS HE2 1.0 1.8 5.0 1336 1115 A 73 LYS HG3 A 73 LYS HE3 1.0 1.8 5.0 1337 1116 A 77 TRP HE1 A 73 LYS HDy 1.0 1.8 5.0 1338 1116 A 77 TRP HE1 A 73 LYS HDx 1.0 1.8 5.0 1339 1117 A 77 TRP HZ2 A 73 LYS HDx 1.0 1.8 5.0 1340 1118 A 77 TRP HZ2 A 73 LYS HDy 1.0 1.8 5.0 1341 1119 A 77 TRP HZ2 A 73 LYS HE2 1.0 1.8 5.0 1342 1119 A 77 TRP HZ2 A 73 LYS HE3 1.0 1.8 5.0 1343 1120 A 74 VAL H A 74 VAL HA 1.0 1.8 5.0 1344 1121 A 74 VAL HB A 74 VAL H 1.0 1.8 3.5 1345 1122 A 74 VAL HG1% A 74 VAL H 1.0 1.8 5.0 1346 1123 A 74 VAL HG2% A 74 VAL H 1.0 1.8 5.0 1347 1124 A 75 ALA H A 74 VAL H 1.0 1.8 3.5 1348 1125 A 74 VAL H A 76 GLY H 1.0 1.8 5.0 1349 1126 A 74 VAL HG1% A 74 VAL HA 1.0 1.8 5.0 1350 1127 A 74 VAL HG2% A 74 VAL HA 1.0 1.8 5.0 1351 1128 A 75 ALA H A 74 VAL HA 1.0 1.8 5.0 1352 1129 A 77 TRP H A 74 VAL HA 1.0 1.8 5.0 1353 1130 A 77 TRP HE1 A 74 VAL HA 1.0 1.8 5.0 1354 1131 A 77 TRP HZ3 A 74 VAL HA 1.0 1.8 5.0 1355 1132 A 77 TRP HE3 A 74 VAL HA 1.0 1.8 5.0 1356 1133 A 74 VAL HB A 75 ALA H 1.0 1.8 5.0 1357 1134 A 74 VAL HG1% A 75 ALA H 1.0 1.8 5.0 1358 1135 A 74 VAL HG2% A 75 ALA H 1.0 1.8 5.0 1359 1136 A 74 VAL HG2% A 77 TRP HZ2 1.0 1.8 5.0 1360 1137 A 74 VAL HG2% A 77 TRP HH2 1.0 1.8 5.0 1361 1138 A 74 VAL HG2% A 77 TRP HZ3 1.0 1.8 5.0 1362 1139 A 74 VAL HG2% A 77 TRP HE3 1.0 1.8 5.0 1363 1140 A 75 ALA HA A 75 ALA H 1.0 1.8 5.0 1364 1141 A 75 ALA HB% A 75 ALA H 1.0 1.8 5.0 1365 1142 A 75 ALA H A 76 GLY H 1.0 1.8 5.0 1366 1143 A 77 TRP H A 75 ALA H 1.0 1.8 5.0 1367 1144 A 75 ALA HA A 76 GLY H 1.0 1.8 5.0 1368 1145 A 78 ALA H A 75 ALA HA 1.0 1.8 5.0 1369 1146 A 78 ALA HB% A 75 ALA HA 1.0 1.8 5.0 1370 1147 A 75 ALA HA A 79 GLU H 1.0 1.8 5.0 1371 1148 A 75 ALA HB% A 76 GLY H 1.0 1.8 5.0 1372 1149 A 78 ALA HB% A 75 ALA HB% 1.0 1.8 5.0 1373 1150 A 75 ALA HB% A 79 GLU HBy 1.0 1.8 5.0 1374 1150 A 75 ALA HB% A 79 GLU HBx 1.0 1.8 5.0 1375 1151 A 76 GLY H A 76 GLY HAy 1.0 1.8 5.0 1376 1152 A 76 GLY H A 76 GLY HAx 1.0 1.8 5.0 1377 1153 A 77 TRP H A 76 GLY H 1.0 1.8 2.9 1378 1154 A 78 ALA H A 76 GLY H 1.0 1.8 5.0 1379 1155 A 77 TRP H A 76 GLY HAy 1.0 1.8 5.0 1380 1156 A 77 TRP H A 76 GLY HAx 1.0 1.8 5.0 1381 1157 A 79 GLU H A 76 GLY HAy 1.0 1.8 5.0 1382 1158 A 79 GLU H A 76 GLY HAx 1.0 1.8 5.0 1383 1159 A 79 GLU HBx A 76 GLY HAy 1.0 1.8 5.0 1384 1159 A 76 GLY HAy A 79 GLU HBy 1.0 1.8 5.0 1385 1160 A 79 GLU HBx A 76 GLY HAx 1.0 1.8 5.0 1386 1160 A 76 GLY HAx A 79 GLU HBy 1.0 1.8 5.0 1387 1161 A 76 GLY HAy A 79 GLU HGy 1.0 1.8 5.0 1388 1161 A 76 GLY HAx A 79 GLU HGy 1.0 1.8 5.0 1389 1162 A 76 GLY HAy A 79 GLU HGx 1.0 1.8 5.0 1390 1162 A 79 GLU HGx A 76 GLY HAx 1.0 1.8 5.0 1391 1163 A 77 TRP H A 77 TRP HBx 1.0 1.8 5.0 1392 1164 A 77 TRP H A 77 TRP HBy 1.0 1.8 5.0 1393 1165 A 77 TRP H A 77 TRP HA 1.0 1.8 5.0 1394 1166 A 77 TRP HE1 A 77 TRP H 1.0 1.8 5.0 1395 1167 A 77 TRP HD1 A 77 TRP H 1.0 1.8 5.0 1396 1168 A 77 TRP HE3 A 77 TRP H 1.0 1.8 5.0 1397 1169 A 77 TRP H A 78 ALA H 1.0 1.8 5.0 1398 1170 A 77 TRP H A 78 ALA HB% 1.0 1.8 5.0 1399 1171 A 77 TRP HD1 A 77 TRP HBx 1.0 1.8 5.0 1400 1172 A 77 TRP HD1 A 77 TRP HBy 1.0 1.8 5.0 1401 1173 A 77 TRP HE3 A 77 TRP HBx 1.0 1.8 5.0 1402 1174 A 77 TRP HE3 A 77 TRP HBy 1.0 1.8 5.0 1403 1175 A 77 TRP HBx A 78 ALA H 1.0 1.8 5.0 1404 1176 A 77 TRP HBy A 78 ALA H 1.0 1.8 5.0 1405 1177 A 87 ILE HD1% A 77 TRP HBx 1.0 1.8 5.0 1406 1178 A 87 ILE HD1% A 77 TRP HBy 1.0 1.8 5.0 1407 1179 A 77 TRP HE1 A 77 TRP HA 1.0 1.8 5.0 1408 1180 A 77 TRP HD1 A 77 TRP HA 1.0 1.8 5.0 1409 1181 A 78 ALA H A 77 TRP HA 1.0 1.8 5.0 1410 1182 A 77 TRP HA A 80 LYS H 1.0 1.8 5.0 1411 1183 A 77 TRP HA A 80 LYS HBx 1.0 1.8 5.0 1412 1184 A 77 TRP HA A 80 LYS HBy 1.0 1.8 5.0 1413 1185 A 87 ILE HD1% A 77 TRP HA 1.0 1.8 5.0 1414 1186 A 77 TRP HD1 A 78 ALA H 1.0 1.8 5.0 1415 1187 A 77 TRP HD1 A 80 LYS HGx 1.0 1.8 5.0 1416 1187 A 77 TRP HD1 A 80 LYS HGy 1.0 1.8 5.0 1417 1188 A 87 ILE HD1% A 77 TRP HD1 1.0 1.8 5.0 1418 1189 A 77 TRP HE3 A 78 ALA H 1.0 1.8 5.0 1419 1190 A 78 ALA H A 78 ALA HA 1.0 1.8 5.0 1420 1191 A 78 ALA H A 78 ALA HB% 1.0 1.8 5.0 1421 1192 A 78 ALA H A 79 GLU H 1.0 1.8 2.9 1422 1193 A 78 ALA HA A 81 VAL H 1.0 1.8 5.0 1423 1194 A 78 ALA HA A 81 VAL HB 1.0 1.8 5.0 1424 1195 A 78 ALA HA A 81 VAL HG1% 1.0 1.8 5.0 1425 1196 A 81 VAL HG2% A 78 ALA HA 1.0 1.8 5.0 1426 1197 A 78 ALA HB% A 79 GLU H 1.0 1.8 5.0 1427 1198 A 78 ALA HB% A 79 GLU HBy 1.0 1.8 5.0 1428 1198 A 78 ALA HB% A 79 GLU HBx 1.0 1.8 5.0 1429 1199 A 79 GLU H A 79 GLU HA 1.0 1.8 3.5 1430 1200 A 79 GLU H A 79 GLU HBy 1.0 1.8 5.0 1431 1201 A 79 GLU H A 79 GLU HBx 1.0 1.8 5.0 1432 1202 A 79 GLU H A 79 GLU HGy 1.0 1.8 5.0 1433 1203 A 79 GLU H A 79 GLU HGx 1.0 1.8 5.0 1434 1204 A 79 GLU H A 80 LYS H 1.0 1.8 3.5 1435 1205 A 79 GLU HA A 79 GLU HGy 1.0 1.8 5.0 1436 1206 A 79 GLU HA A 79 GLU HGx 1.0 1.8 5.0 1437 1207 A 79 GLU HA A 80 LYS H 1.0 1.8 5.0 1438 1208 A 79 GLU HA A 82 ALA H 1.0 1.8 5.0 1439 1209 A 82 ALA HB% A 79 GLU HA 1.0 1.8 5.0 1440 1210 A 79 GLU HA A 83 SER H 1.0 1.8 5.0 1441 1211 A 80 LYS H A 79 GLU HBy 1.0 1.8 5.0 1442 1212 A 79 GLU HBx A 80 LYS H 1.0 1.8 5.0 1443 1213 A 80 LYS H A 79 GLU HGy 1.0 1.8 5.0 1444 1214 A 80 LYS H A 79 GLU HGx 1.0 1.8 5.0 1445 1215 A 82 ALA HB% A 79 GLU HGy 1.0 1.8 5.0 1446 1215 A 82 ALA HB% A 79 GLU HGx 1.0 1.8 5.0 1447 1216 A 80 LYS H A 80 LYS HA 1.0 1.8 3.5 1448 1217 A 80 LYS H A 80 LYS HBx 1.0 1.8 5.0 1449 1218 A 80 LYS H A 80 LYS HBy 1.0 1.8 5.0 1450 1219 A 80 LYS H A 80 LYS HGy 1.0 1.8 5.0 1451 1220 A 80 LYS H A 80 LYS HGx 1.0 1.8 5.0 1452 1221 A 80 LYS H A 80 LYS HD2 1.0 1.8 5.0 1453 1221 A 80 LYS H A 80 LYS HD3 1.0 1.8 5.0 1454 1222 A 80 LYS H A 81 VAL H 1.0 1.8 3.5 1455 1223 A 81 VAL HG2% A 80 LYS H 1.0 1.8 5.0 1456 1224 A 80 LYS HGy A 80 LYS HA 1.0 1.8 5.0 1457 1225 A 80 LYS HA A 80 LYS HGx 1.0 1.8 5.0 1458 1226 A 80 LYS HA A 80 LYS HD2 1.0 1.8 5.0 1459 1226 A 80 LYS HA A 80 LYS HD3 1.0 1.8 5.0 1460 1227 A 81 VAL H A 80 LYS HA 1.0 1.8 5.0 1461 1228 A 83 SER H A 80 LYS HA 1.0 1.8 5.0 1462 1229 A 80 LYS HA A 84 GLY H 1.0 1.8 5.0 1463 1230 A 80 LYS HA A 85 ASN HBx 1.0 1.8 5.0 1464 1231 A 80 LYS HA A 85 ASN HBy 1.0 1.8 5.0 1465 1232 A 81 VAL H A 80 LYS HBx 1.0 1.8 5.0 1466 1233 A 81 VAL H A 80 LYS HBy 1.0 1.8 5.0 1467 1234 A 81 VAL HA A 80 LYS HBy 1.0 1.8 5.0 1468 1234 A 80 LYS HBx A 81 VAL HA 1.0 1.8 5.0 1469 1235 A 80 LYS HBx A 85 ASN HBx 1.0 1.8 5.0 1470 1235 A 85 ASN HBx A 80 LYS HBy 1.0 1.8 5.0 1471 1236 A 80 LYS HBx A 85 ASN HBy 1.0 1.8 5.0 1472 1236 A 80 LYS HBy A 85 ASN HBy 1.0 1.8 5.0 1473 1237 A 87 ILE HG2% A 80 LYS HBx 1.0 1.8 5.0 1474 1238 A 87 ILE HG2% A 80 LYS HBy 1.0 1.8 5.0 1475 1239 A 87 ILE HD1% A 80 LYS HBy 1.0 1.8 5.0 1476 1239 A 87 ILE HD1% A 80 LYS HBx 1.0 1.8 5.0 1477 1240 A 80 LYS HE3 A 80 LYS HGx 1.0 1.8 5.0 1478 1240 A 80 LYS HGy A 80 LYS HE2 1.0 1.8 5.0 1479 1240 A 80 LYS HGy A 80 LYS HE3 1.0 1.8 5.0 1480 1240 A 80 LYS HE2 A 80 LYS HGx 1.0 1.8 5.0 1481 1241 A 80 LYS HGy A 81 VAL H 1.0 1.8 5.0 1482 1242 A 81 VAL H A 80 LYS HGx 1.0 1.8 5.0 1483 1243 A 80 LYS HGy A 85 ASN HBx 1.0 1.8 5.0 1484 1243 A 80 LYS HGy A 85 ASN HBy 1.0 1.8 5.0 1485 1244 A 85 ASN HBx A 80 LYS HGx 1.0 1.8 5.0 1486 1244 A 80 LYS HGx A 85 ASN HBy 1.0 1.8 5.0 1487 1245 A 87 ILE HG2% A 80 LYS HGx 1.0 1.8 5.0 1488 1245 A 87 ILE HG2% A 80 LYS HGy 1.0 1.8 5.0 1489 1246 A 87 ILE HG2% A 80 LYS HD2 1.0 1.8 5.0 1490 1246 A 87 ILE HG2% A 80 LYS HD3 1.0 1.8 5.0 1491 1247 A 87 ILE HD1% A 80 LYS HD2 1.0 1.8 5.0 1492 1247 A 87 ILE HD1% A 80 LYS HD3 1.0 1.8 5.0 1493 1248 A 87 ILE HG2% A 80 LYS HE2 1.0 1.8 5.0 1494 1248 A 87 ILE HG2% A 80 LYS HE3 1.0 1.8 5.0 1495 1249 A 81 VAL H A 81 VAL HA 1.0 1.8 5.0 1496 1250 A 81 VAL HB A 81 VAL H 1.0 1.8 3.5 1497 1251 A 81 VAL HG1% A 81 VAL H 1.0 1.8 5.0 1498 1252 A 81 VAL HG2% A 81 VAL H 1.0 1.8 5.0 1499 1253 A 81 VAL H A 82 ALA H 1.0 1.8 5.0 1500 1254 A 82 ALA HB% A 81 VAL H 1.0 1.8 5.0 1501 1255 A 81 VAL H A 83 SER H 1.0 1.8 5.0 1502 1256 A 87 ILE HG2% A 81 VAL H 1.0 1.8 5.0 1503 1257 A 87 ILE HD1% A 81 VAL H 1.0 1.8 5.0 1504 1258 A 81 VAL HG1% A 81 VAL HA 1.0 1.8 5.0 1505 1259 A 81 VAL HG2% A 81 VAL HA 1.0 1.8 5.0 1506 1260 A 82 ALA H A 81 VAL HA 1.0 1.8 5.0 1507 1261 A 83 SER H A 81 VAL HA 1.0 1.8 5.0 1508 1262 A 84 GLY H A 81 VAL HA 1.0 1.8 5.0 1509 1263 A 81 VAL HA A 85 ASN H 1.0 1.8 5.0 1510 1264 A 87 ILE HG2% A 81 VAL HA 1.0 1.8 5.0 1511 1265 A 87 ILE HD1% A 81 VAL HA 1.0 1.8 5.0 1512 1266 A 81 VAL HB A 82 ALA H 1.0 1.8 5.0 1513 1267 A 81 VAL HG1% A 82 ALA H 1.0 1.8 5.0 1514 1268 A 81 VAL HG1% A 82 ALA HA 1.0 1.8 5.0 1515 1269 A 81 VAL HG1% A 82 ALA HB% 1.0 1.8 5.0 1516 1270 A 87 ILE HD1% A 81 VAL HG2% 1.0 1.8 5.0 1517 1271 A 82 ALA HA A 82 ALA H 1.0 1.8 5.0 1518 1272 A 82 ALA HB% A 82 ALA H 1.0 1.8 5.0 1519 1273 A 82 ALA H A 83 SER H 1.0 1.8 3.5 1520 1274 A 82 ALA H A 84 GLY H 1.0 1.8 5.0 1521 1275 A 82 ALA HA A 83 SER H 1.0 1.8 5.0 1522 1276 A 82 ALA HB% A 83 SER H 1.0 1.8 5.0 1523 1277 A 82 ALA HB% A 84 GLY H 1.0 1.8 5.0 1524 1278 A 83 SER H A 83 SER HA 1.0 1.8 3.5 1525 1279 A 83 SER H A 83 SER HB2 1.0 1.8 5.0 1526 1279 A 83 SER H A 83 SER HB3 1.0 1.8 5.0 1527 1280 A 83 SER H A 84 GLY H 1.0 1.8 3.5 1528 1281 A 83 SER H A 84 GLY HAx 1.0 1.8 5.0 1529 1281 A 83 SER H A 84 GLY HAy 1.0 1.8 5.0 1530 1282 A 84 GLY H A 83 SER HA 1.0 1.8 5.0 1531 1283 A 84 GLY H A 83 SER HB2 1.0 1.8 5.0 1532 1283 A 84 GLY H A 83 SER HB3 1.0 1.8 5.0 1533 1284 A 85 ASN H A 83 SER HB2 1.0 1.8 5.0 1534 1284 A 85 ASN H A 83 SER HB3 1.0 1.8 5.0 1535 1285 A 85 ASN HD21 A 83 SER HB2 1.0 1.8 5.0 1536 1285 A 83 SER HB3 A 85 ASN HD21 1.0 1.8 5.0 1537 1286 A 85 ASN HD22 A 83 SER HB2 1.0 1.8 5.0 1538 1286 A 83 SER HB3 A 85 ASN HD22 1.0 1.8 5.0 1539 1287 A 84 GLY H A 84 GLY HAy 1.0 1.8 3.5 1540 1288 A 84 GLY H A 84 GLY HAx 1.0 1.8 3.5 1541 1289 A 84 GLY H A 85 ASN H 1.0 1.8 3.5 1542 1290 A 84 GLY H A 85 ASN HBy 1.0 1.8 5.0 1543 1290 A 84 GLY H A 85 ASN HBx 1.0 1.8 5.0 1544 1291 A 85 ASN H A 84 GLY HAy 1.0 1.8 5.0 1545 1292 A 85 ASN H A 84 GLY HAx 1.0 1.8 5.0 1546 1293 A 85 ASN H A 85 ASN HA 1.0 1.8 5.0 1547 1294 A 85 ASN HBx A 85 ASN H 1.0 1.8 5.0 1548 1295 A 85 ASN H A 85 ASN HBy 1.0 1.8 5.0 1549 1296 A 85 ASN H A 85 ASN HD21 1.0 1.8 5.0 1550 1297 A 85 ASN H A 85 ASN HD22 1.0 1.8 5.0 1551 1298 A 85 ASN H A 86 ARG H 1.0 1.8 5.0 1552 1299 A 85 ASN HD21 A 85 ASN HA 1.0 1.8 5.0 1553 1300 A 85 ASN HD22 A 85 ASN HA 1.0 1.8 5.0 1554 1301 A 85 ASN HA A 86 ARG H 1.0 1.8 2.9 1555 1302 A 85 ASN HBx A 85 ASN HD21 1.0 1.8 5.0 1556 1303 A 85 ASN HBx A 85 ASN HD22 1.0 1.8 5.0 1557 1304 A 85 ASN HD21 A 85 ASN HBy 1.0 1.8 5.0 1558 1305 A 85 ASN HD22 A 85 ASN HBy 1.0 1.8 5.0 1559 1306 A 85 ASN HBx A 86 ARG H 1.0 1.8 5.0 1560 1307 A 86 ARG H A 85 ASN HBy 1.0 1.8 5.0 1561 1308 A 85 ASN HBx A 86 ARG HGy 1.0 1.8 5.0 1562 1308 A 85 ASN HBx A 86 ARG HGx 1.0 1.8 5.0 1563 1309 A 86 ARG HGy A 85 ASN HBy 1.0 1.8 5.0 1564 1309 A 85 ASN HBy A 86 ARG HGx 1.0 1.8 5.0 1565 1310 A 86 ARG H A 86 ARG HA 1.0 1.8 3.5 1566 1311 A 86 ARG H A 86 ARG HB2 1.0 1.8 3.5 1567 1311 A 86 ARG H A 86 ARG HB3 1.0 1.8 3.5 1568 1312 A 86 ARG H A 86 ARG HGy 1.0 1.8 5.0 1569 1313 A 86 ARG H A 86 ARG HGx 1.0 1.8 5.0 1570 1314 A 86 ARG H A 86 ARG HD2 1.0 1.8 5.0 1571 1314 A 86 ARG H A 86 ARG HD3 1.0 1.8 5.0 1572 1315 A 86 ARG H A 87 ILE H 1.0 1.8 5.0 1573 1316 A 86 ARG HGy A 86 ARG HA 1.0 1.8 5.0 1574 1317 A 86 ARG HA A 86 ARG HGx 1.0 1.8 5.0 1575 1318 A 86 ARG HA A 87 ILE H 1.0 1.8 2.9 1576 1319 A 86 ARG HA A 87 ILE HG1y 1.0 1.8 5.0 1577 1319 A 86 ARG HA A 87 ILE HG1x 1.0 1.8 5.0 1578 1320 A 87 ILE HG2% A 86 ARG HA 1.0 1.8 5.0 1579 1321 A 86 ARG HB2 A 86 ARG HD2 1.0 1.8 5.0 1580 1321 A 86 ARG HB3 A 86 ARG HD2 1.0 1.8 5.0 1581 1321 A 86 ARG HD3 A 86 ARG HB2 1.0 1.8 5.0 1582 1321 A 86 ARG HB3 A 86 ARG HD3 1.0 1.8 5.0 1583 1322 A 87 ILE H A 86 ARG HB2 1.0 1.8 3.5 1584 1322 A 86 ARG HB3 A 87 ILE H 1.0 1.8 3.5 1585 1323 A 86 ARG HGy A 87 ILE H 1.0 1.8 5.0 1586 1324 A 87 ILE H A 86 ARG HGx 1.0 1.8 5.0 1587 1325 A 87 ILE H A 86 ARG HD2 1.0 1.8 5.0 1588 1325 A 86 ARG HD3 A 87 ILE H 1.0 1.8 5.0 1589 1326 A 87 ILE H A 87 ILE HA 1.0 1.8 5.0 1590 1327 A 87 ILE H A 87 ILE HB 1.0 1.8 5.0 1591 1328 A 87 ILE H A 87 ILE HG1x 1.0 1.8 5.0 1592 1329 A 87 ILE H A 87 ILE HG1y 1.0 1.8 5.0 1593 1330 A 87 ILE HG2% A 87 ILE H 1.0 1.8 5.0 1594 1331 A 87 ILE HD1% A 87 ILE H 1.0 1.8 5.0 1595 1332 A 87 ILE HG1x A 87 ILE HA 1.0 1.8 5.0 1596 1333 A 87 ILE HA A 87 ILE HG1y 1.0 1.8 5.0 1597 1334 A 87 ILE HG2% A 87 ILE HA 1.0 1.8 5.0 1598 1335 A 87 ILE HD1% A 87 ILE HA 1.0 1.8 5.0 1599 1336 A 87 ILE HA A 88 LEU H 1.0 1.8 2.9 1600 1337 A 87 ILE HD1% A 87 ILE HB 1.0 1.8 5.0 1601 1338 A 87 ILE HB A 88 LEU H 1.0 1.8 5.0 1602 1339 A 87 ILE HG2% A 87 ILE HG1x 1.0 1.8 5.0 1603 1340 A 87 ILE HG2% A 87 ILE HG1y 1.0 1.8 5.0 1604 1341 A 87 ILE HG1x A 88 LEU H 1.0 1.8 5.0 1605 1342 A 88 LEU H A 87 ILE HG1y 1.0 1.8 5.0 1606 1343 A 87 ILE HD1% A 87 ILE HG2% 1.0 1.8 5.0 1607 1344 A 87 ILE HG2% A 88 LEU H 1.0 1.8 5.0 1608 1345 A 88 LEU H A 88 LEU HA 1.0 1.8 3.5 1609 1346 A 88 LEU H A 88 LEU HB2 1.0 1.8 2.9 1610 1346 A 88 LEU H A 88 LEU HB3 1.0 1.8 2.9 1611 1347 A 88 LEU H A 88 LEU HG 1.0 1.8 5.0 1612 1348 A 88 LEU H A 88 LEU HD2% 1.0 1.8 5.0 1613 1349 A 88 LEU HA A 88 LEU HG 1.0 1.8 5.0 1614 1350 A 88 LEU HA A 88 LEU HD1% 1.0 1.8 5.0 1615 1351 A 88 LEU HA A 88 LEU HD2% 1.0 1.8 5.0 1616 1352 A 88 LEU HA A 89 ILE H 1.0 1.8 2.9 1617 1353 A 88 LEU HA A 89 ILE HB 1.0 1.8 5.0 1618 1354 A 88 LEU HD1% A 88 LEU HB2 1.0 1.8 5.0 1619 1354 A 88 LEU HB3 A 88 LEU HD1% 1.0 1.8 5.0 1620 1355 A 88 LEU HD2% A 88 LEU HB2 1.0 1.8 5.0 1621 1355 A 88 LEU HB3 A 88 LEU HD2% 1.0 1.8 5.0 1622 1356 A 89 ILE H A 88 LEU HB2 1.0 1.8 5.0 1623 1356 A 88 LEU HB3 A 89 ILE H 1.0 1.8 5.0 1624 1357 A 88 LEU HG A 89 ILE H 1.0 1.8 5.0 1625 1358 A 88 LEU HD1% A 89 ILE H 1.0 1.8 5.0 1626 1359 A 88 LEU HD2% A 89 ILE H 1.0 1.8 5.0 1627 1360 A 89 ILE HA A 89 ILE H 1.0 1.8 5.0 1628 1361 A 89 ILE H A 89 ILE HB 1.0 1.8 3.5 1629 1362 A 89 ILE H A 89 ILE HG1y 1.0 1.8 5.0 1630 1363 A 89 ILE H A 89 ILE HG1x 1.0 1.8 5.0 1631 1364 A 89 ILE H A 89 ILE HG2% 1.0 1.8 5.0 1632 1365 A 89 ILE HD1% A 89 ILE H 1.0 1.8 5.0 1633 1366 A 89 ILE HA A 89 ILE HG1y 1.0 1.8 5.0 1634 1367 A 89 ILE HA A 89 ILE HG1x 1.0 1.8 5.0 1635 1368 A 89 ILE HA A 89 ILE HG2% 1.0 1.8 5.0 1636 1369 A 89 ILE HD1% A 89 ILE HA 1.0 1.8 5.0 1637 1370 A 89 ILE HA A 90 LYS H 1.0 1.8 5.0 1638 1371 A 89 ILE HA A 90 LYS HD2 1.0 1.8 5.0 1639 1371 A 89 ILE HA A 90 LYS HD3 1.0 1.8 5.0 1640 1372 A 89 ILE HA A 91 ASN H 1.0 1.8 5.0 1641 1373 A 89 ILE HD1% A 89 ILE HB 1.0 1.8 5.0 1642 1374 A 89 ILE HG2% A 89 ILE HG1x 1.0 1.8 5.0 1643 1374 A 89 ILE HG2% A 89 ILE HG1y 1.0 1.8 5.0 1644 1375 A 89 ILE HG2% A 90 LYS H 1.0 1.8 5.0 1645 1376 A 89 ILE HG2% A 91 ASN H 1.0 1.8 5.0 1646 1377 A 89 ILE HG2% A 91 ASN HD2x 1.0 1.8 5.0 1647 1377 A 89 ILE HG2% A 91 ASN HD2y 1.0 1.8 5.0 1648 1378 A 89 ILE HG2% A 92 PRO HA 1.0 1.8 5.0 1649 1379 A 89 ILE HG2% A 92 PRO HBy 1.0 1.8 5.0 1650 1380 A 89 ILE HG2% A 92 PRO HBx 1.0 1.8 5.0 1651 1381 A 89 ILE HG2% A 92 PRO HGy 1.0 1.8 5.0 1652 1381 A 89 ILE HG2% A 92 PRO HGx 1.0 1.8 5.0 1653 1382 A 89 ILE HG2% A 92 PRO HDy 1.0 1.8 5.0 1654 1383 A 89 ILE HG2% A 92 PRO HDx 1.0 1.8 5.0 1655 1384 A 89 ILE HD1% A 91 ASN H 1.0 1.8 5.0 1656 1385 A 89 ILE HD1% A 91 ASN HD2x 1.0 1.8 5.0 1657 1385 A 89 ILE HD1% A 91 ASN HD2y 1.0 1.8 5.0 1658 1386 A 89 ILE HD1% A 92 PRO HA 1.0 1.8 5.0 1659 1387 A 89 ILE HD1% A 92 PRO HBy 1.0 1.8 5.0 1660 1388 A 89 ILE HD1% A 92 PRO HBx 1.0 1.8 5.0 1661 1389 A 90 LYS H A 90 LYS HA 1.0 1.8 5.0 1662 1390 A 90 LYS H A 90 LYS HB2 1.0 1.8 3.5 1663 1390 A 90 LYS H A 90 LYS HB3 1.0 1.8 3.5 1664 1391 A 90 LYS H A 90 LYS HG2 1.0 1.8 5.0 1665 1391 A 90 LYS H A 90 LYS HG3 1.0 1.8 5.0 1666 1392 A 90 LYS H A 91 ASN H 1.0 1.8 5.0 1667 1393 A 90 LYS HA A 90 LYS HG2 1.0 1.8 5.0 1668 1393 A 90 LYS HA A 90 LYS HG3 1.0 1.8 5.0 1669 1394 A 90 LYS HA A 90 LYS HD2 1.0 1.8 5.0 1670 1394 A 90 LYS HD3 A 90 LYS HA 1.0 1.8 5.0 1671 1395 A 91 ASN H A 90 LYS HA 1.0 1.8 5.0 1672 1396 A 91 ASN H A 90 LYS HB2 1.0 1.8 5.0 1673 1396 A 91 ASN H A 90 LYS HB3 1.0 1.8 5.0 1674 1397 A 90 LYS HB3 A 91 ASN HD2y 1.0 1.8 5.0 1675 1397 A 91 ASN HD2x A 90 LYS HB2 1.0 1.8 5.0 1676 1397 A 91 ASN HD2y A 90 LYS HB2 1.0 1.8 5.0 1677 1397 A 90 LYS HB3 A 91 ASN HD2x 1.0 1.8 5.0 1678 1398 A 90 LYS HE3 A 90 LYS HG2 1.0 1.8 5.0 1679 1398 A 90 LYS HE2 A 90 LYS HG2 1.0 1.8 5.0 1680 1398 A 90 LYS HG3 A 90 LYS HE2 1.0 1.8 5.0 1681 1398 A 90 LYS HG3 A 90 LYS HE3 1.0 1.8 5.0 1682 1399 A 90 LYS HD3 A 91 ASN HD2x 1.0 1.8 5.0 1683 1399 A 91 ASN HD2x A 90 LYS HD2 1.0 1.8 5.0 1684 1399 A 91 ASN HD2y A 90 LYS HD2 1.0 1.8 5.0 1685 1399 A 90 LYS HD3 A 91 ASN HD2y 1.0 1.8 5.0 1686 1400 A 91 ASN H A 91 ASN HA 1.0 1.8 5.0 1687 1401 A 91 ASN H A 91 ASN HBx 1.0 1.8 5.0 1688 1401 A 91 ASN H A 91 ASN HBy 1.0 1.8 5.0 1689 1402 A 91 ASN H A 92 PRO HDy 1.0 1.8 5.0 1690 1403 A 91 ASN H A 92 PRO HDx 1.0 1.8 5.0 1691 1404 A 91 ASN HA A 91 ASN HD2x 1.0 1.8 5.0 1692 1405 A 91 ASN HA A 91 ASN HD2y 1.0 1.8 5.0 1693 1406 A 91 ASN HA A 92 PRO HGy 1.0 1.8 5.0 1694 1406 A 92 PRO HGx A 91 ASN HA 1.0 1.8 5.0 1695 1407 A 91 ASN HA A 92 PRO HDy 1.0 1.8 5.0 1696 1408 A 91 ASN HA A 92 PRO HDx 1.0 1.8 5.0 1697 1409 A 91 ASN HA A 93 GLU H 1.0 1.8 5.0 1698 1410 A 91 ASN HBy A 91 ASN HD2x 1.0 1.8 5.0 1699 1411 A 91 ASN HBy A 91 ASN HD2y 1.0 1.8 5.0 1700 1412 A 91 ASN HD2x A 91 ASN HBx 1.0 1.8 5.0 1701 1413 A 91 ASN HD2y A 91 ASN HBx 1.0 1.8 5.0 1702 1414 A 91 ASN HD2x A 92 PRO HDy 1.0 1.8 5.0 1703 1414 A 91 ASN HD2x A 92 PRO HDx 1.0 1.8 5.0 1704 1414 A 91 ASN HD2y A 92 PRO HDy 1.0 1.8 5.0 1705 1414 A 91 ASN HD2y A 92 PRO HDx 1.0 1.8 5.0 1706 1415 A 92 PRO HA A 93 GLU H 1.0 1.8 5.0 1707 1416 A 93 GLU H A 92 PRO HDy 1.0 1.8 5.0 1708 1417 A 93 GLU H A 92 PRO HDx 1.0 1.8 5.0 1709 1418 A 93 GLU H A 93 GLU HA 1.0 1.8 5.0 1710 1419 A 93 GLU H A 93 GLU HBy 1.0 1.8 5.0 1711 1420 A 93 GLU H A 93 GLU HBx 1.0 1.8 5.0 1712 1421 A 93 GLU H A 93 GLU HGy 1.0 1.8 5.0 1713 1422 A 93 GLU H A 93 GLU HGx 1.0 1.8 5.0 1714 1423 A 93 GLU H A 94 TYR H 1.0 1.8 5.0 1715 1424 A 93 GLU HA A 93 GLU HGy 1.0 1.8 5.0 1716 1425 A 93 GLU HA A 93 GLU HGx 1.0 1.8 5.0 1717 1426 A 93 GLU HA A 94 TYR HD% 1.0 1.8 5.0 1718 1427 A 93 GLU HA A 95 PHE H 1.0 1.8 5.0 1719 1428 A 94 TYR HD% A 93 GLU HBy 1.0 1.8 5.0 1720 1428 A 94 TYR HD% A 93 GLU HBx 1.0 1.8 5.0 1721 1429 A 94 TYR H A 94 TYR HA 1.0 1.8 5.0 1722 1430 A 94 TYR H A 94 TYR HBy 1.0 1.8 5.0 1723 1431 A 94 TYR H A 94 TYR HBx 1.0 1.8 5.0 1724 1432 A 94 TYR H A 95 PHE H 1.0 1.8 5.0 1725 1433 A 94 TYR HD% A 94 TYR HA 1.0 1.8 5.0 1726 1434 A 94 TYR HA A 94 TYR HE% 1.0 1.8 5.0 1727 1435 A 95 PHE H A 94 TYR HA 1.0 1.8 5.0 1728 1436 A 94 TYR HD% A 94 TYR HBy 1.0 1.8 5.0 1729 1437 A 94 TYR HD% A 94 TYR HBx 1.0 1.8 5.0 1730 1438 A 95 PHE H A 94 TYR HBx 1.0 1.8 5.0 1731 1438 A 95 PHE H A 94 TYR HBy 1.0 1.8 5.0 1732 1439 A 95 PHE HA A 95 PHE H 1.0 1.8 5.0 1733 1440 A 95 PHE H A 95 PHE HBy 1.0 1.8 5.0 1734 1441 A 95 PHE H A 95 PHE HBx 1.0 1.8 5.0 1735 1442 A 95 PHE HD% A 95 PHE H 1.0 1.8 5.0 1736 1443 A 95 PHE H A 96 SER HA 1.0 1.8 5.0 1737 1444 A 95 PHE HA A 95 PHE HD% 1.0 1.8 5.0 1738 1445 A 95 PHE HA A 96 SER H 1.0 1.8 5.0 1739 1446 A 95 PHE HD% A 95 PHE HBy 1.0 1.8 5.0 1740 1447 A 95 PHE HD% A 95 PHE HBx 1.0 1.8 5.0 1741 1448 A 95 PHE HE% A 95 PHE HBx 1.0 1.8 5.0 1742 1448 A 95 PHE HE% A 95 PHE HBy 1.0 1.8 5.0 1743 1449 A 95 PHE HD% A 99 MET HBy 1.0 1.8 5.0 1744 1450 A 95 PHE HD% A 99 MET HBx 1.0 1.8 5.0 1745 1451 A 95 PHE HD% A 99 MET HE% 1.0 1.8 5.0 1746 1452 A 95 PHE HE% A 99 MET HBy 1.0 1.8 5.0 1747 1453 A 95 PHE HE% A 99 MET HBx 1.0 1.8 5.0 1748 1454 A 99 MET HE% A 95 PHE HE% 1.0 1.8 5.0 1749 1455 A 95 PHE HE% A 100 GLN HA 1.0 1.8 5.0 1750 1456 A 95 PHE HE% A 100 GLN HGy 1.0 1.8 5.0 1751 1457 A 95 PHE HE% A 100 GLN HGx 1.0 1.8 5.0 1752 1458 A 103 LEU HD1% A 95 PHE HE% 1.0 1.8 5.0 1753 1459 A 95 PHE HZ A 100 GLN HA 1.0 1.8 5.0 1754 1460 A 95 PHE HZ A 100 GLN HGy 1.0 1.8 5.0 1755 1461 A 95 PHE HZ A 100 GLN HGx 1.0 1.8 5.0 1756 1462 A 103 LEU HD1% A 95 PHE HZ 1.0 1.8 5.0 1757 1463 A 96 SER HA A 97 THR H 1.0 1.8 3.5 1758 1464 A 96 SER HA A 97 THR HG2% 1.0 1.8 5.0 1759 1465 A 96 SER HA A 98 TYR H 1.0 1.8 5.0 1760 1466 A 97 THR H A 96 SER HBy 1.0 1.8 5.0 1761 1467 A 97 THR H A 96 SER HBx 1.0 1.8 5.0 1762 1468 A 98 TYR H A 96 SER HBy 1.0 1.8 5.0 1763 1469 A 98 TYR H A 96 SER HBx 1.0 1.8 5.0 1764 1470 A 96 SER HA A 96 SER H 1.0 1.8 5.0 1765 1471 A 96 SER H A 96 SER HBy 1.0 1.8 5.0 1766 1472 A 96 SER H A 96 SER HBx 1.0 1.8 5.0 1767 1473 A 97 THR H A 97 THR HA 1.0 1.8 5.0 1768 1474 A 97 THR H A 97 THR HB 1.0 1.8 3.5 1769 1475 A 97 THR H A 97 THR HG2% 1.0 1.8 5.0 1770 1476 A 97 THR H A 98 TYR H 1.0 1.8 3.5 1771 1477 A 97 THR HG2% A 97 THR HA 1.0 1.8 5.0 1772 1478 A 98 TYR H A 97 THR HA 1.0 1.8 5.0 1773 1479 A 97 THR HA A 100 GLN H 1.0 1.8 5.0 1774 1480 A 97 THR HA A 100 GLN HBy 1.0 1.8 5.0 1775 1481 A 100 GLN HBx A 97 THR HA 1.0 1.8 5.0 1776 1482 A 97 THR HA A 101 GLU H 1.0 1.8 5.0 1777 1483 A 98 TYR H A 97 THR HB 1.0 1.8 3.5 1778 1484 A 97 THR HG2% A 98 TYR H 1.0 1.8 5.0 1779 1485 A 97 THR HG2% A 98 TYR HD% 1.0 1.8 5.0 1780 1486 A 97 THR HG2% A 101 GLU HGy 1.0 1.8 5.0 1781 1487 A 97 THR HG2% A 101 GLU HGx 1.0 1.8 5.0 1782 1488 A 98 TYR H A 98 TYR HA 1.0 1.8 3.5 1783 1489 A 98 TYR H A 98 TYR HBy 1.0 1.8 3.5 1784 1490 A 98 TYR H A 98 TYR HBx 1.0 1.8 3.5 1785 1491 A 98 TYR H A 98 TYR HD% 1.0 1.8 5.0 1786 1492 A 98 TYR H A 99 MET H 1.0 1.8 5.0 1787 1493 A 98 TYR HD% A 98 TYR HA 1.0 1.8 5.0 1788 1494 A 98 TYR HA A 98 TYR HE% 1.0 1.8 5.0 1789 1495 A 98 TYR HA A 99 MET H 1.0 1.8 5.0 1790 1496 A 98 TYR HA A 101 GLU HB2 1.0 1.8 5.0 1791 1496 A 98 TYR HA A 101 GLU HB3 1.0 1.8 5.0 1792 1497 A 101 GLU H A 98 TYR HA 1.0 1.8 5.0 1793 1498 A 98 TYR HA A 101 GLU HGy 1.0 1.8 5.0 1794 1498 A 98 TYR HA A 101 GLU HGx 1.0 1.8 5.0 1795 1499 A 98 TYR HA A 102 GLN H 1.0 1.8 5.0 1796 1500 A 98 TYR HD% A 98 TYR HBy 1.0 1.8 5.0 1797 1501 A 98 TYR HD% A 98 TYR HBx 1.0 1.8 5.0 1798 1502 A 98 TYR HE% A 98 TYR HBy 1.0 1.8 5.0 1799 1503 A 98 TYR HE% A 98 TYR HBx 1.0 1.8 5.0 1800 1504 A 99 MET H A 98 TYR HBy 1.0 1.8 5.0 1801 1505 A 99 MET H A 98 TYR HBx 1.0 1.8 5.0 1802 1506 A 99 MET HE% A 98 TYR HBx 1.0 1.8 5.0 1803 1506 A 99 MET HE% A 98 TYR HBy 1.0 1.8 5.0 1804 1507 A 99 MET HA A 98 TYR HD% 1.0 1.8 5.0 1805 1508 A 98 TYR HD% A 99 MET HGy 1.0 1.8 5.0 1806 1509 A 99 MET HGx A 98 TYR HD% 1.0 1.8 5.0 1807 1510 A 98 TYR HD% A 101 GLU HB2 1.0 1.8 5.0 1808 1510 A 98 TYR HD% A 101 GLU HB3 1.0 1.8 5.0 1809 1511 A 99 MET HA A 99 MET HGy 1.0 1.8 5.0 1810 1512 A 99 MET HA A 99 MET HGx 1.0 1.8 5.0 1811 1513 A 99 MET HA A 99 MET HE% 1.0 1.8 5.0 1812 1514 A 99 MET HA A 102 GLN HBy 1.0 1.8 5.0 1813 1515 A 99 MET HA A 102 GLN HBx 1.0 1.8 5.0 1814 1516 A 99 MET HBy A 100 GLN H 1.0 1.8 5.0 1815 1517 A 99 MET HBx A 100 GLN H 1.0 1.8 5.0 1816 1518 A 99 MET HA A 99 MET H 1.0 1.8 5.0 1817 1519 A 99 MET HBy A 99 MET H 1.0 1.8 5.0 1818 1520 A 99 MET HBx A 99 MET H 1.0 1.8 5.0 1819 1521 A 99 MET H A 99 MET HGy 1.0 1.8 5.0 1820 1522 A 99 MET HGx A 99 MET H 1.0 1.8 5.0 1821 1523 A 99 MET HE% A 99 MET H 1.0 1.8 5.0 1822 1524 A 100 GLN H A 99 MET H 1.0 1.8 5.0 1823 1525 A 100 GLN HA A 100 GLN H 1.0 1.8 5.0 1824 1526 A 100 GLN HGy A 100 GLN H 1.0 1.8 5.0 1825 1527 A 100 GLN HGx A 100 GLN H 1.0 1.8 5.0 1826 1528 A 100 GLN H A 100 GLN HBy 1.0 1.8 5.0 1827 1529 A 100 GLN HBx A 100 GLN H 1.0 1.8 5.0 1828 1530 A 100 GLN H A 101 GLU H 1.0 1.8 5.0 1829 1531 A 100 GLN HA A 100 GLN HGy 1.0 1.8 5.0 1830 1532 A 100 GLN HA A 100 GLN HGx 1.0 1.8 5.0 1831 1533 A 100 GLN HA A 101 GLU H 1.0 1.8 5.0 1832 1534 A 100 GLN HA A 103 LEU H 1.0 1.8 5.0 1833 1535 A 100 GLN HA A 103 LEU HBy 1.0 1.8 5.0 1834 1536 A 100 GLN HA A 103 LEU HBx 1.0 1.8 5.0 1835 1537 A 103 LEU HD1% A 100 GLN HA 1.0 1.8 5.0 1836 1538 A 100 GLN HGy A 100 GLN HE21 1.0 1.8 5.0 1837 1539 A 100 GLN HGy A 100 GLN HE22 1.0 1.8 5.0 1838 1540 A 100 GLN HGx A 100 GLN HE21 1.0 1.8 5.0 1839 1541 A 100 GLN HGx A 100 GLN HE22 1.0 1.8 5.0 1840 1542 A 101 GLU H A 100 GLN HBy 1.0 1.8 5.0 1841 1543 A 100 GLN HBx A 101 GLU H 1.0 1.8 5.0 1842 1544 A 101 GLU HA A 101 GLU HGy 1.0 1.8 5.0 1843 1545 A 101 GLU HGx A 101 GLU HA 1.0 1.8 5.0 1844 1546 A 102 GLN H A 101 GLU HA 1.0 1.8 5.0 1845 1547 A 104 LYS H A 101 GLU HA 1.0 1.8 5.0 1846 1548 A 101 GLU HA A 104 LYS HBy 1.0 1.8 5.0 1847 1548 A 104 LYS HBx A 101 GLU HA 1.0 1.8 5.0 1848 1549 A 101 GLU HA A 104 LYS HDx 1.0 1.8 5.0 1849 1549 A 104 LYS HDy A 101 GLU HA 1.0 1.8 5.0 1850 1550 A 102 GLN H A 101 GLU HB2 1.0 1.8 5.0 1851 1550 A 101 GLU HB3 A 102 GLN H 1.0 1.8 5.0 1852 1551 A 101 GLU H A 101 GLU HA 1.0 1.8 3.5 1853 1552 A 101 GLU H A 101 GLU HB2 1.0 1.8 3.5 1854 1552 A 101 GLU H A 101 GLU HB3 1.0 1.8 3.5 1855 1553 A 101 GLU H A 101 GLU HGy 1.0 1.8 5.0 1856 1554 A 101 GLU H A 101 GLU HGx 1.0 1.8 5.0 1857 1555 A 101 GLU H A 102 GLN H 1.0 1.8 5.0 1858 1556 A 101 GLU H A 103 LEU H 1.0 1.8 5.0 1859 1557 A 102 GLN H A 102 GLN HA 1.0 1.8 3.5 1860 1558 A 102 GLN H A 102 GLN HBy 1.0 1.8 5.0 1861 1559 A 102 GLN H A 102 GLN HBx 1.0 1.8 5.0 1862 1560 A 102 GLN HGy A 102 GLN H 1.0 1.8 5.0 1863 1561 A 102 GLN HGx A 102 GLN H 1.0 1.8 5.0 1864 1562 A 102 GLN H A 103 LEU H 1.0 1.8 3.5 1865 1563 A 104 LYS H A 102 GLN H 1.0 1.8 5.0 1866 1564 A 102 GLN HGy A 102 GLN HA 1.0 1.8 5.0 1867 1565 A 102 GLN HGx A 102 GLN HA 1.0 1.8 5.0 1868 1566 A 103 LEU H A 102 GLN HA 1.0 1.8 5.0 1869 1567 A 102 GLN HA A 105 GLU H 1.0 1.8 5.0 1870 1568 A 102 GLN HA A 105 GLU HB2 1.0 1.8 5.0 1871 1568 A 102 GLN HA A 105 GLU HB3 1.0 1.8 5.0 1872 1569 A 102 GLN HA A 106 LEU H 1.0 1.8 5.0 1873 1570 A 102 GLN HE22 A 102 GLN HBy 1.0 1.8 5.0 1874 1570 A 102 GLN HBx A 102 GLN HE22 1.0 1.8 5.0 1875 1571 A 103 LEU H A 102 GLN HBy 1.0 1.8 3.5 1876 1572 A 103 LEU H A 102 GLN HBx 1.0 1.8 3.5 1877 1573 A 102 GLN HGy A 102 GLN HE21 1.0 1.8 5.0 1878 1574 A 102 GLN HGx A 102 GLN HE21 1.0 1.8 5.0 1879 1575 A 102 GLN HGy A 103 LEU H 1.0 1.8 5.0 1880 1576 A 102 GLN HGx A 103 LEU H 1.0 1.8 5.0 1881 1577 A 103 LEU H A 103 LEU HA 1.0 1.8 5.0 1882 1578 A 103 LEU HG A 103 LEU H 1.0 1.8 5.0 1883 1579 A 103 LEU HBy A 103 LEU H 1.0 1.8 5.0 1884 1580 A 103 LEU H A 103 LEU HBx 1.0 1.8 5.0 1885 1581 A 103 LEU HD1% A 103 LEU H 1.0 1.8 5.0 1886 1582 A 103 LEU HD2% A 103 LEU H 1.0 1.8 5.0 1887 1583 A 104 LYS H A 103 LEU H 1.0 1.8 5.0 1888 1584 A 103 LEU HG A 103 LEU HA 1.0 1.8 5.0 1889 1585 A 103 LEU HD1% A 103 LEU HA 1.0 1.8 5.0 1890 1586 A 103 LEU HD2% A 103 LEU HA 1.0 1.8 5.0 1891 1587 A 104 LYS H A 103 LEU HA 1.0 1.8 5.0 1892 1588 A 106 LEU H A 103 LEU HA 1.0 1.8 5.0 1893 1589 A 103 LEU HA A 106 LEU HBy 1.0 1.8 5.0 1894 1590 A 103 LEU HA A 106 LEU HBx 1.0 1.8 5.0 1895 1591 A 103 LEU HA A 107 VAL H 1.0 1.8 5.0 1896 1592 A 103 LEU HD1% A 103 LEU HBy 1.0 1.8 5.0 1897 1593 A 103 LEU HD2% A 103 LEU HBy 1.0 1.8 5.0 1898 1594 A 103 LEU HD2% A 103 LEU HBx 1.0 1.8 5.0 1899 1595 A 104 LYS H A 103 LEU HBy 1.0 1.8 5.0 1900 1596 A 104 LYS H A 103 LEU HBx 1.0 1.8 5.0 1901 1597 A 104 LYS H A 104 LYS HA 1.0 1.8 5.0 1902 1598 A 104 LYS H A 104 LYS HBx 1.0 1.8 5.0 1903 1599 A 104 LYS H A 104 LYS HBy 1.0 1.8 5.0 1904 1600 A 104 LYS H A 104 LYS HG2 1.0 1.8 5.0 1905 1600 A 104 LYS H A 104 LYS HG3 1.0 1.8 5.0 1906 1601 A 104 LYS H A 105 GLU H 1.0 1.8 5.0 1907 1602 A 104 LYS HA A 104 LYS HDx 1.0 1.8 5.0 1908 1602 A 104 LYS HA A 104 LYS HDy 1.0 1.8 5.0 1909 1603 A 104 LYS HA A 104 LYS HG2 1.0 1.8 5.0 1910 1603 A 104 LYS HA A 104 LYS HG3 1.0 1.8 5.0 1911 1604 A 104 LYS HA A 105 GLU H 1.0 1.8 5.0 1912 1605 A 104 LYS HA A 107 VAL HB 1.0 1.8 3.5 1913 1606 A 104 LYS HA A 107 VAL HGy% 1.0 1.8 5.0 1914 1606 A 107 VAL HGx% A 104 LYS HA 1.0 1.8 5.0 1915 1607 A 104 LYS HA A 107 VAL H 1.0 1.8 5.0 1916 1608 A 104 LYS HA A 108 LEU H 1.0 1.8 5.0 1917 1609 A 104 LYS HDy A 104 LYS HBy 1.0 1.8 5.0 1918 1609 A 104 LYS HDy A 104 LYS HBx 1.0 1.8 5.0 1919 1610 A 104 LYS HBy A 104 LYS HDx 1.0 1.8 5.0 1920 1610 A 104 LYS HBx A 104 LYS HDx 1.0 1.8 5.0 1921 1611 A 104 LYS HBx A 105 GLU H 1.0 1.8 5.0 1922 1612 A 105 GLU H A 104 LYS HBy 1.0 1.8 5.0 1923 1613 A 104 LYS HE2 A 104 LYS HG2 1.0 1.8 5.0 1924 1613 A 104 LYS HG3 A 104 LYS HE2 1.0 1.8 5.0 1925 1613 A 104 LYS HG3 A 104 LYS HE3 1.0 1.8 5.0 1926 1613 A 104 LYS HE3 A 104 LYS HG2 1.0 1.8 5.0 1927 1614 A 105 GLU H A 104 LYS HG2 1.0 1.8 5.0 1928 1614 A 104 LYS HG3 A 105 GLU H 1.0 1.8 5.0 1929 1615 A 108 LEU HD1% A 104 LYS HG2 1.0 1.8 5.0 1930 1615 A 104 LYS HG3 A 108 LEU HD1% 1.0 1.8 5.0 1931 1616 A 108 LEU HD1% A 104 LYS HE2 1.0 1.8 5.0 1932 1616 A 104 LYS HE3 A 108 LEU HD1% 1.0 1.8 5.0 1933 1617 A 105 GLU H A 105 GLU HA 1.0 1.8 5.0 1934 1618 A 105 GLU H A 105 GLU HB2 1.0 1.8 3.5 1935 1618 A 105 GLU H A 105 GLU HB3 1.0 1.8 3.5 1936 1619 A 105 GLU H A 105 GLU HG2 1.0 1.8 5.0 1937 1619 A 105 GLU H A 105 GLU HG3 1.0 1.8 5.0 1938 1620 A 105 GLU H A 106 LEU H 1.0 1.8 5.0 1939 1621 A 105 GLU HA A 105 GLU HG2 1.0 1.8 5.0 1940 1621 A 105 GLU HA A 105 GLU HG3 1.0 1.8 5.0 1941 1622 A 106 LEU H A 105 GLU HA 1.0 1.8 5.0 1942 1623 A 108 LEU H A 105 GLU HA 1.0 1.8 5.0 1943 1624 A 105 GLU HA A 108 LEU HBy 1.0 1.8 5.0 1944 1625 A 105 GLU HA A 108 LEU HBx 1.0 1.8 5.0 1945 1625 A 105 GLU HA A 108 LEU HBy 1.0 1.8 5.0 1946 1626 A 105 GLU HA A 108 LEU HD2% 1.0 1.8 5.0 1947 1627 A 106 LEU H A 105 GLU HB2 1.0 1.8 5.0 1948 1627 A 105 GLU HB3 A 106 LEU H 1.0 1.8 5.0 1949 1628 A 106 LEU H A 106 LEU HA 1.0 1.8 5.0 1950 1629 A 106 LEU H A 106 LEU HBy 1.0 1.8 5.0 1951 1630 A 106 LEU H A 106 LEU HBx 1.0 1.8 5.0 1952 1631 A 106 LEU H A 106 LEU HG 1.0 1.8 5.0 1953 1632 A 106 LEU H A 106 LEU HD1% 1.0 1.8 5.0 1954 1633 A 106 LEU H A 106 LEU HD2% 1.0 1.8 5.0 1955 1634 A 106 LEU H A 107 VAL H 1.0 1.8 5.0 1956 1635 A 106 LEU H A 108 LEU H 1.0 1.8 5.0 1957 1636 A 106 LEU HA A 106 LEU HG 1.0 1.8 5.0 1958 1637 A 106 LEU HA A 106 LEU HD1% 1.0 1.8 5.0 1959 1638 A 106 LEU HA A 106 LEU HD2% 1.0 1.8 5.0 1960 1639 A 106 LEU HA A 109 GLU HB2 1.0 1.8 5.0 1961 1639 A 106 LEU HA A 109 GLU HB3 1.0 1.8 5.0 1962 1640 A 106 LEU HA A 109 GLU H 1.0 1.8 5.0 1963 1641 A 106 LEU HBy A 106 LEU HD1% 1.0 1.8 5.0 1964 1642 A 106 LEU HBy A 106 LEU HD2% 1.0 1.8 5.0 1965 1643 A 106 LEU HBx A 106 LEU HD1% 1.0 1.8 5.0 1966 1644 A 106 LEU HBy A 107 VAL H 1.0 1.8 5.0 1967 1645 A 106 LEU HBx A 107 VAL H 1.0 1.8 5.0 1968 1646 A 107 VAL HGx% A 107 VAL HA 1.0 1.8 5.0 1969 1647 A 107 VAL HA A 107 VAL HGy% 1.0 1.8 5.0 1970 1648 A 108 LEU H A 107 VAL HA 1.0 1.8 5.0 1971 1649 A 107 VAL HB A 108 LEU H 1.0 1.8 3.5 1972 1650 A 107 VAL HB A 108 LEU HA 1.0 1.8 5.0 1973 1651 A 108 LEU H A 107 VAL HGy% 1.0 1.8 5.0 1974 1651 A 107 VAL HGx% A 108 LEU H 1.0 1.8 5.0 1975 1652 A 108 LEU HA A 107 VAL HGy% 1.0 1.8 5.0 1976 1652 A 107 VAL HGx% A 108 LEU HA 1.0 1.8 5.0 1977 1653 A 107 VAL H A 107 VAL HA 1.0 1.8 5.0 1978 1654 A 107 VAL HB A 107 VAL H 1.0 1.8 3.5 1979 1655 A 107 VAL HGx% A 107 VAL H 1.0 1.8 5.0 1980 1656 A 107 VAL H A 107 VAL HGy% 1.0 1.8 5.0 1981 1656 A 107 VAL HGx% A 107 VAL H 1.0 1.8 5.0 1982 1657 A 107 VAL H A 109 GLU H 1.0 1.8 5.0 1983 1658 A 108 LEU H A 108 LEU HA 1.0 1.8 3.5 1984 1659 A 108 LEU H A 108 LEU HG 1.0 1.8 5.0 1985 1660 A 108 LEU H A 108 LEU HBy 1.0 1.8 3.5 1986 1661 A 108 LEU H A 108 LEU HBx 1.0 1.8 5.0 1987 1661 A 108 LEU H A 108 LEU HBy 1.0 1.8 5.0 1988 1662 A 108 LEU H A 108 LEU HD1% 1.0 1.8 5.0 1989 1663 A 108 LEU H A 108 LEU HD2% 1.0 1.8 5.0 1990 1664 A 108 LEU H A 109 GLU H 1.0 1.8 5.0 1991 1665 A 108 LEU HA A 108 LEU HG 1.0 1.8 5.0 1992 1666 A 108 LEU HD1% A 108 LEU HA 1.0 1.8 5.0 1993 1667 A 108 LEU HD2% A 108 LEU HA 1.0 1.8 5.0 1994 1668 A 109 GLU H A 108 LEU HA 1.0 1.8 5.0 1995 1669 A 108 LEU HD1% A 108 LEU HBy 1.0 1.8 5.0 1996 1670 A 108 LEU HBy A 108 LEU HD2% 1.0 1.8 5.0 1997 1671 A 108 LEU HD1% A 108 LEU HBx 1.0 1.8 5.0 1998 1672 A 108 LEU HD2% A 108 LEU HBx 1.0 1.8 5.0 1999 1673 A 108 LEU HBx A 109 GLU HGy 1.0 1.8 5.0 2000 1673 A 109 GLU HGx A 108 LEU HBx 1.0 1.8 5.0 2001 1673 A 108 LEU HBy A 109 GLU HGx 1.0 1.8 5.0 2002 1673 A 108 LEU HBy A 109 GLU HGy 1.0 1.8 5.0 2003 1674 A 108 LEU HBy A 109 GLU H 1.0 1.8 5.0 2004 1675 A 109 GLU H A 108 LEU HBx 1.0 1.8 5.0 2005 1675 A 108 LEU HBy A 109 GLU H 1.0 1.8 5.0 2006 1676 A 108 LEU HD1% A 109 GLU H 1.0 1.8 5.0 2007 1677 A 108 LEU HD2% A 109 GLU H 1.0 1.8 5.0 2008 1678 A 109 GLU HA A 109 GLU HGy 1.0 1.8 5.0 2009 1679 A 109 GLU HGx A 109 GLU HA 1.0 1.8 5.0 2010 1680 A 109 GLU H A 109 GLU HA 1.0 1.8 3.5 2011 1681 A 109 GLU H A 109 GLU HB2 1.0 1.8 3.5 2012 1681 A 109 GLU HB3 A 109 GLU H 1.0 1.8 3.5 2013 1682 A 109 GLU H A 109 GLU HGy 1.0 1.8 5.0 2014 1682 A 109 GLU H A 109 GLU HGx 1.0 1.8 5.0 2015 1683 A 20 ILE HA A 22 GLY H 1.0 1.8 5.0 2016 1684 A 19 PHE HA A 22 GLY H 1.0 1.8 5.0 2017 1685 A 20 ILE H A 22 GLY H 1.0 1.8 5.0 2018 1686 A 35 GLU H A 32 SER HA 1.0 1.8 5.0 2019 1687 A 61 GLY HAy A 66 TRP HBx 1.0 1.8 5.0 2020 1687 A 61 GLY HAy A 66 TRP HBy 1.0 1.8 5.0 2021 1688 A 66 TRP HBx A 61 GLY HAx 1.0 1.8 5.0 2022 1688 A 61 GLY HAx A 66 TRP HBy 1.0 1.8 5.0 2023 1689 A 66 TRP HE1 A 64 GLU HG2 1.0 1.8 5.0 2024 1689 A 66 TRP HE1 A 64 GLU HG3 1.0 1.8 5.0 2025 1690 A 17 LEU HD1% A 64 GLU HBy 1.0 1.8 5.0 2026 1690 A 17 LEU HD1% A 64 GLU HBx 1.0 1.8 5.0 2027 1691 A 32 SER HA A 35 GLU HBx 1.0 1.8 5.0 2028 1691 A 35 GLU HBy A 32 SER HA 1.0 1.8 5.0 2029 1692 A 33 MET HE% A 34 ASP HA 1.0 1.8 5.0 2030 1693 A 33 MET HE% A 34 ASP HBy 1.0 1.8 5.0 2031 1693 A 33 MET HE% A 34 ASP HBx 1.0 1.8 5.0 2032 1694 A 33 MET HE% A 37 THR H 1.0 1.8 5.0 2033 1695 A 33 MET HE% A 37 THR HA 1.0 1.8 5.0 2034 1696 A 33 MET HE% A 37 THR HB 1.0 1.8 5.0 2035 1697 A 33 MET HE% A 37 THR HG2% 1.0 1.8 5.0 2036 1698 A 33 MET HE% A 38 ALA H 1.0 1.8 5.0 2037 1699 A 38 ALA HB% A 33 MET HE% 1.0 1.8 5.0 2038 1700 A 38 ALA HA A 33 MET HE% 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 12 ALA O A 16 ALA N 1.0 2.4 3.3 2 2 A 16 ALA H A 12 ALA O 1.0 1.5 2.3 3 3 A 13 ILE O A 17 LEU N 1.0 2.4 3.3 4 4 A 17 LEU H A 13 ILE O 1.0 1.5 2.3 5 5 A 14 GLU O A 18 ASP N 1.0 2.4 3.3 6 6 A 18 ASP H A 14 GLU O 1.0 1.5 2.3 7 7 A 15 LYS O A 19 PHE N 1.0 2.4 3.3 8 8 A 19 PHE H A 15 LYS O 1.0 1.5 2.3 9 9 A 16 ALA O A 20 ILE N 1.0 2.4 3.3 10 10 A 20 ILE H A 16 ALA O 1.0 1.5 2.3 11 11 A 17 LEU O A 21 GLY N 1.0 2.4 3.3 12 12 A 21 GLY H A 17 LEU O 1.0 1.5 2.3 13 13 A 35 GLU O A 39 LYS N 1.0 2.4 3.3 14 14 A 39 LYS H A 35 GLU O 1.0 1.5 2.3 15 15 A 36 SER O A 40 GLY N 1.0 2.4 3.3 16 16 A 40 GLY H A 36 SER O 1.0 1.5 2.3 17 17 A 37 THR O A 41 ILE N 1.0 2.4 3.3 18 18 A 41 ILE H A 37 THR O 1.0 1.5 2.3 19 19 A 38 ALA O A 42 LEU N 1.0 2.4 3.3 20 20 A 42 LEU H A 38 ALA O 1.0 1.5 2.3 21 21 A 39 LYS O A 43 LYS N 1.0 2.4 3.3 22 22 A 43 LYS H A 39 LYS O 1.0 1.5 2.3 23 23 A 40 GLY O A 44 TYR N 1.0 2.4 3.3 24 24 A 44 TYR H A 40 GLY O 1.0 1.5 2.3 25 25 A 41 ILE O A 45 LEU N 1.0 2.4 3.3 26 26 A 45 LEU H A 41 ILE O 1.0 1.5 2.3 27 27 A 42 LEU O A 46 HIS N 1.0 2.4 3.3 28 28 A 46 HIS H A 42 LEU O 1.0 1.5 2.3 29 29 A 43 LYS O A 47 ASP N 1.0 2.4 3.3 30 30 A 47 ASP H A 43 LYS O 1.0 1.5 2.3 31 31 A 55 GLU O A 59 ALA N 1.0 2.4 3.3 32 32 A 59 ALA H A 55 GLU O 1.0 1.5 2.3 33 33 A 56 VAL O A 60 ARG N 1.0 2.4 3.3 34 34 A 60 ARG H A 56 VAL O 1.0 1.5 2.3 35 35 A 57 VAL O A 61 GLY N 1.0 2.4 3.3 36 36 A 61 GLY H A 57 VAL O 1.0 1.5 2.3 37 37 A 58 VAL O A 62 GLU N 1.0 2.4 3.3 38 38 A 62 GLU H A 58 VAL O 1.0 1.5 2.3 39 39 A 59 ALA O A 63 GLN N 1.0 2.4 3.3 40 40 A 63 GLN H A 59 ALA O 1.0 1.5 2.3 41 41 A 60 ARG O A 64 GLU N 1.0 2.4 3.3 42 42 A 64 GLU H A 60 ARG O 1.0 1.5 2.3 43 43 A 61 GLY O A 65 GLY N 1.0 2.4 3.3 44 44 A 65 GLY H A 61 GLY O 1.0 1.5 2.3 45 45 A 69 GLU O A 73 LYS N 1.0 2.4 3.3 46 46 A 73 LYS H A 69 GLU O 1.0 1.5 2.3 47 47 A 70 PHE O A 74 VAL N 1.0 2.4 3.3 48 48 A 74 VAL H A 70 PHE O 1.0 1.5 2.3 49 49 A 71 THR O A 75 ALA N 1.0 2.4 3.3 50 50 A 75 ALA H A 71 THR O 1.0 1.5 2.3 51 51 A 72 LYS O A 76 GLY N 1.0 2.4 3.3 52 52 A 76 GLY H A 72 LYS O 1.0 1.5 2.3 53 53 A 73 LYS O A 77 TRP N 1.0 2.4 3.3 54 54 A 77 TRP H A 73 LYS O 1.0 1.5 2.3 55 55 A 74 VAL O A 78 ALA N 1.0 2.4 3.3 56 56 A 78 ALA H A 74 VAL O 1.0 1.5 2.3 57 57 A 75 ALA O A 79 GLU N 1.0 2.4 3.3 58 58 A 79 GLU H A 75 ALA O 1.0 1.5 2.3 59 59 A 76 GLY O A 80 LYS N 1.0 2.4 3.3 60 60 A 80 LYS H A 76 GLY O 1.0 1.5 2.3 61 61 A 77 TRP O A 81 VAL N 1.0 2.4 3.3 62 62 A 81 VAL H A 77 TRP O 1.0 1.5 2.3 63 63 A 78 ALA O A 82 ALA N 1.0 2.4 3.3 64 64 A 82 ALA H A 78 ALA O 1.0 1.5 2.3 65 65 A 79 GLU O A 83 SER N 1.0 2.4 3.3 66 66 A 83 SER H A 79 GLU O 1.0 1.5 2.3 67 67 A 80 LYS O A 84 GLY N 1.0 2.4 3.3 68 68 A 84 GLY H A 80 LYS O 1.0 1.5 2.3 69 69 A 97 THR O A 101 GLU N 1.0 2.4 3.3 70 70 A 101 GLU H A 97 THR O 1.0 1.5 2.3 71 71 A 98 TYR O A 102 GLN N 1.0 2.4 3.3 72 72 A 102 GLN H A 98 TYR O 1.0 1.5 2.3 73 73 A 99 MET O A 103 LEU N 1.0 2.4 3.3 74 74 A 103 LEU H A 99 MET O 1.0 1.5 2.3 75 75 A 100 GLN O A 104 LYS N 1.0 2.4 3.3 76 76 A 104 LYS H A 100 GLN O 1.0 1.5 2.3 77 77 A 101 GLU O A 105 GLU N 1.0 2.4 3.3 78 78 A 105 GLU H A 101 GLU O 1.0 1.5 2.3 79 79 A 102 GLN O A 106 LEU N 1.0 2.4 3.3 80 80 A 106 LEU H A 102 GLN O 1.0 1.5 2.3 81 81 A 103 LEU O A 107 VAL N 1.0 2.4 3.3 82 82 A 107 VAL H A 103 LEU O 1.0 1.5 2.3 83 83 A 104 LYS O A 108 LEU N 1.0 2.4 3.3 84 84 A 108 LEU H A 104 LYS O 1.0 1.5 2.3 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 11 THR C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -102.90 -22.90 PHI 2 2 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 ILE N 1.0 -89.74 10.26 PSI 3 3 A 12 ALA C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -105.64 -25.64 PHI 4 4 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 GLU N 1.0 -92.08 7.92 PSI 5 5 A 13 ILE C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -103.96 -23.96 PHI 6 6 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 LYS N 1.0 -92.79 7.21 PSI 7 7 A 14 GLU C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -108.46 -28.46 PHI 8 8 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 ALA N 1.0 -88.94 11.06 PSI 9 9 A 15 LYS C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -102.37 -22.37 PHI 10 10 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 LEU N 1.0 -95.17 4.83 PSI 11 11 A 16 ALA C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -102.98 -22.98 PHI 12 12 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ASP N 1.0 -92.69 7.31 PSI 13 13 A 17 LEU C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -106.05 -26.05 PHI 14 14 A 18 ASP N A 18 ASP CA A 18 ASP C A 19 PHE N 1.0 -89.91 10.09 PSI 15 15 A 18 ASP C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -106.24 -26.24 PHI 16 16 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 ILE N 1.0 -95.45 4.55 PSI 17 17 A 19 PHE C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -106.21 -26.21 PHI 18 18 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 GLY N 1.0 -86.55 13.45 PSI 19 19 A 31 HIS C A 32 SER N A 32 SER CA A 32 SER C 1.0 -102.99 -22.99 PHI 20 20 A 32 SER N A 32 SER CA A 32 SER C A 33 MET N 1.0 -79.74 20.26 PSI 21 21 A 33 MET C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -106.26 -26.26 PHI 22 22 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 GLU N 1.0 -89.67 10.33 PSI 23 23 A 34 ASP C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -102.17 -22.17 PHI 24 24 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 SER N 1.0 -94.22 5.78 PSI 25 25 A 35 GLU C A 36 SER N A 36 SER CA A 36 SER C 1.0 -105.59 -25.59 PHI 26 26 A 36 SER N A 36 SER CA A 36 SER C A 37 THR N 1.0 -86.51 13.49 PSI 27 27 A 36 SER C A 37 THR N A 37 THR CA A 37 THR C 1.0 -106.86 -26.86 PHI 28 28 A 37 THR N A 37 THR CA A 37 THR C A 38 ALA N 1.0 -90.80 9.20 PSI 29 29 A 37 THR C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -99.40 -19.40 PHI 30 30 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 LYS N 1.0 -91.00 9.00 PSI 31 31 A 38 ALA C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -105.33 -25.33 PHI 32 32 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 GLY N 1.0 -90.29 9.71 PSI 33 33 A 39 LYS C A 40 GLY N A 40 GLY CA A 40 GLY C 1.0 -107.10 -27.10 PHI 34 34 A 40 GLY N A 40 GLY CA A 40 GLY C A 41 ILE N 1.0 -88.65 11.35 PSI 35 35 A 40 GLY C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -104.83 -24.83 PHI 36 36 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 LEU N 1.0 -91.43 8.57 PSI 37 37 A 41 ILE C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -99.34 -19.34 PHI 38 38 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 LYS N 1.0 -91.34 8.66 PSI 39 39 A 42 LEU C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -105.79 -25.79 PHI 40 40 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 TYR N 1.0 -89.80 10.20 PSI 41 41 A 43 LYS C A 44 TYR N A 44 TYR CA A 44 TYR C 1.0 -102.97 -22.97 PHI 42 42 A 44 TYR N A 44 TYR CA A 44 TYR C A 45 LEU N 1.0 -95.42 4.58 PSI 43 43 A 44 TYR C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -103.58 -23.58 PHI 44 44 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 HIS N 1.0 -89.44 10.56 PSI 45 45 A 45 LEU C A 46 HIS N A 46 HIS CA A 46 HIS C 1.0 -105.76 -25.76 PHI 46 46 A 46 HIS N A 46 HIS CA A 46 HIS C A 47 ASP N 1.0 -89.88 10.12 PSI 47 47 A 46 HIS C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -103.70 -23.70 PHI 48 48 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 LEU N 1.0 -79.99 20.01 PSI 49 49 A 49 GLY C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -134.74 -54.74 PHI 50 50 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 PRO N 1.0 93.64 193.64 PSI 51 51 A 54 PRO N A 54 PRO CA A 54 PRO C A 55 GLU N 1.0 -85.75 14.25 PSI 52 52 A 54 PRO C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -102.65 -22.65 PHI 53 53 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 VAL N 1.0 -89.53 10.47 PSI 54 54 A 55 GLU C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -107.75 -27.75 PHI 55 55 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 VAL N 1.0 -91.16 8.84 PSI 56 56 A 56 VAL C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -104.87 -24.87 PHI 57 57 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 VAL N 1.0 -94.41 5.59 PSI 58 58 A 57 VAL C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -103.00 -23.00 PHI 59 59 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 ALA N 1.0 -93.97 6.03 PSI 60 60 A 58 VAL C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -102.67 -22.67 PHI 61 61 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 ARG N 1.0 -86.82 13.18 PSI 62 62 A 59 ALA C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -106.36 -26.36 PHI 63 63 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 GLY N 1.0 -87.40 12.60 PSI 64 64 A 60 ARG C A 61 GLY N A 61 GLY CA A 61 GLY C 1.0 -105.63 -25.63 PHI 65 65 A 61 GLY N A 61 GLY CA A 61 GLY C A 62 GLU N 1.0 -91.23 8.77 PSI 66 66 A 61 GLY C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -101.20 -21.20 PHI 67 67 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 GLN N 1.0 -91.13 8.87 PSI 68 68 A 62 GLU C A 63 GLN N A 63 GLN CA A 63 GLN C 1.0 -110.17 -30.17 PHI 69 69 A 63 GLN N A 63 GLN CA A 63 GLN C A 64 GLU N 1.0 -82.40 17.60 PSI 70 70 A 68 PRO N A 68 PRO CA A 68 PRO C A 69 GLU N 1.0 -79.61 20.39 PSI 71 71 A 68 PRO C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -107.03 -27.03 PHI 72 72 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 PHE N 1.0 -85.64 14.36 PSI 73 73 A 69 GLU C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -102.67 -22.67 PHI 74 74 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 THR N 1.0 -96.34 3.66 PSI 75 75 A 70 PHE C A 71 THR N A 71 THR CA A 71 THR C 1.0 -103.71 -23.71 PHI 76 76 A 71 THR N A 71 THR CA A 71 THR C A 72 LYS N 1.0 -95.33 4.67 PSI 77 77 A 71 THR C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -101.79 -21.79 PHI 78 78 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 LYS N 1.0 -88.90 11.10 PSI 79 79 A 72 LYS C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -108.14 -28.14 PHI 80 80 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 VAL N 1.0 -90.49 9.51 PSI 81 81 A 73 LYS C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -101.00 -21.00 PHI 82 82 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 ALA N 1.0 -92.63 7.37 PSI 83 83 A 74 VAL C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -96.81 -16.81 PHI 84 84 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 GLY N 1.0 -90.35 9.65 PSI 85 85 A 75 ALA C A 76 GLY N A 76 GLY CA A 76 GLY C 1.0 -108.10 -28.10 PHI 86 86 A 76 GLY N A 76 GLY CA A 76 GLY C A 77 TRP N 1.0 -85.85 14.15 PSI 87 87 A 76 GLY C A 77 TRP N A 77 TRP CA A 77 TRP C 1.0 -107.15 -27.15 PHI 88 88 A 77 TRP N A 77 TRP CA A 77 TRP C A 78 ALA N 1.0 -88.36 11.64 PSI 89 89 A 77 TRP C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -103.86 -23.86 PHI 90 90 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 GLU N 1.0 -86.34 13.66 PSI 91 91 A 78 ALA C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -106.68 -26.68 PHI 92 92 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 LYS N 1.0 -90.67 9.33 PSI 93 93 A 79 GLU C A 80 LYS N A 80 LYS CA A 80 LYS C 1.0 -104.32 -24.32 PHI 94 94 A 80 LYS N A 80 LYS CA A 80 LYS C A 81 VAL N 1.0 -88.45 11.55 PSI 95 95 A 80 LYS C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -104.66 -24.66 PHI 96 96 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 ALA N 1.0 -91.43 8.57 PSI 97 97 A 81 VAL C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -106.25 -26.25 PHI 98 98 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 SER N 1.0 -77.61 22.39 PSI 99 99 A 82 ALA C A 83 SER N A 83 SER CA A 83 SER C 1.0 -129.13 -49.13 PHI 100 100 A 83 SER N A 83 SER CA A 83 SER C A 84 GLY N 1.0 -60.42 39.58 PSI 101 101 A 95 PHE C A 96 SER N A 96 SER CA A 96 SER C 1.0 -125.09 -45.09 PHI 102 102 A 96 SER N A 96 SER CA A 96 SER C A 97 THR N 1.0 95.01 195.01 PSI 103 103 A 96 SER C A 97 THR N A 97 THR CA A 97 THR C 1.0 -98.28 -18.28 PHI 104 104 A 97 THR N A 97 THR CA A 97 THR C A 98 TYR N 1.0 -89.29 10.71 PSI 105 105 A 97 THR C A 98 TYR N A 98 TYR CA A 98 TYR C 1.0 -102.44 -22.44 PHI 106 106 A 98 TYR N A 98 TYR CA A 98 TYR C A 99 MET N 1.0 -90.24 9.76 PSI 107 107 A 98 TYR C A 99 MET N A 99 MET CA A 99 MET C 1.0 -104.58 -24.58 PHI 108 108 A 99 MET N A 99 MET CA A 99 MET C A 100 GLN N 1.0 -92.39 7.61 PSI 109 109 A 99 MET C A 100 GLN N A 100 GLN CA A 100 GLN C 1.0 -103.84 -23.84 PHI 110 110 A 100 GLN N A 100 GLN CA A 100 GLN C A 101 GLU N 1.0 -90.68 9.32 PSI 111 111 A 100 GLN C A 101 GLU N A 101 GLU CA A 101 GLU C 1.0 -102.10 -22.10 PHI 112 112 A 101 GLU N A 101 GLU CA A 101 GLU C A 102 GLN N 1.0 -88.99 11.01 PSI 113 113 A 101 GLU C A 102 GLN N A 102 GLN CA A 102 GLN C 1.0 -102.34 -22.34 PHI 114 114 A 102 GLN N A 102 GLN CA A 102 GLN C A 103 LEU N 1.0 -90.88 9.12 PSI 115 115 A 102 GLN C A 103 LEU N A 103 LEU CA A 103 LEU C 1.0 -103.37 -23.37 PHI 116 116 A 103 LEU N A 103 LEU CA A 103 LEU C A 104 LYS N 1.0 -91.81 8.19 PSI 117 117 A 103 LEU C A 104 LYS N A 104 LYS CA A 104 LYS C 1.0 -100.11 -20.11 PHI 118 118 A 104 LYS N A 104 LYS CA A 104 LYS C A 105 GLU N 1.0 -89.99 10.01 PSI 119 119 A 104 LYS C A 105 GLU N A 105 GLU CA A 105 GLU C 1.0 -105.64 -25.64 PHI 120 120 A 105 GLU N A 105 GLU CA A 105 GLU C A 106 LEU N 1.0 -90.02 9.98 PSI 121 121 A 105 GLU C A 106 LEU N A 106 LEU CA A 106 LEU C 1.0 -105.34 -25.34 PHI 122 122 A 106 LEU N A 106 LEU CA A 106 LEU C A 107 VAL N 1.0 -86.01 13.99 PSI 123 123 A 106 LEU C A 107 VAL N A 107 VAL CA A 107 VAL C 1.0 -104.86 -24.86 PHI 124 124 A 107 VAL N A 107 VAL CA A 107 VAL C A 108 LEU N 1.0 -91.43 8.57 PSI 125 125 A 107 VAL C A 108 LEU N A 108 LEU CA A 108 LEU C 1.0 -101.49 -21.49 PHI 126 126 A 108 LEU N A 108 LEU CA A 108 LEU C A 109 GLU N 1.0 -88.03 11.97 PSI 127 127 A 108 LEU C A 109 GLU N A 109 GLU CA A 109 GLU C 1.0 -110.32 -30.32 PHI 128 128 A 109 GLU N A 109 GLU CA A 109 GLU C A 110 HIS N 1.0 -82.79 17.21 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8618.832 2 1C 4522.840 3 1H 13522.650 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8618.832 2 1C 5653.710 3 1H 13522.650 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8993.233 2 1C 2278.423 3 1H 13522.650 stop_ save_