data_nef_c15805_2k4n 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 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 ASN middle . . 3 A 3 SER middle . . 4 A 4 GLU middle . . 5 A 5 VAL middle . . 6 A 6 ILE middle . . 7 A 7 LYS middle . . 8 A 8 GLU middle . . 9 A 9 PHE middle . . 10 A 10 LEU middle . . 11 A 11 GLU middle . . 12 A 12 ASP middle . . 13 A 13 ILE middle . . 14 A 14 GLY middle . false 15 A 15 GLU middle . . 16 A 16 ASP middle . . 17 A 17 TYR middle . . 18 A 18 ILE middle . . 19 A 19 GLU middle . . 20 A 20 LEU middle . . 21 A 21 GLU middle . . 22 A 22 ASN middle . . 23 A 23 GLU middle . . 24 A 24 ILE middle . . 25 A 25 HIS middle . . 26 A 26 LEU middle . . 27 A 27 LYS middle . . 28 A 28 PRO middle . false 29 A 29 GLU middle . . 30 A 30 VAL middle . . 31 A 31 PHE middle . . 32 A 32 TYR middle . . 33 A 33 GLU middle . . 34 A 34 VAL middle . . 35 A 35 TRP middle . . 36 A 36 LYS middle . . 37 A 37 TYR middle . . 38 A 38 VAL middle . . 39 A 39 GLY middle . false 40 A 40 GLU middle . . 41 A 41 PRO middle . false 42 A 42 GLU middle . . 43 A 43 LEU middle . . 44 A 44 LYS middle . . 45 A 45 THR middle . . 46 A 46 TYR middle . . 47 A 47 VAL middle . . 48 A 48 ILE middle . . 49 A 49 GLU middle . . 50 A 50 ASP middle . . 51 A 51 GLU middle . . 52 A 52 ILE middle . . 53 A 53 VAL middle . . 54 A 54 GLU middle . . 55 A 55 PRO middle . false 56 A 56 GLY middle . false 57 A 57 GLU middle . . 58 A 58 TYR middle . . 59 A 59 ASP middle . . 60 A 60 PRO middle . false 61 A 61 PRO middle . false 62 A 62 GLU middle . . 63 A 63 MET middle . . 64 A 64 LYS middle . . 65 A 65 TYR middle . . 66 A 66 THR middle . . 67 A 67 ASN middle . . 68 A 68 VAL middle . . 69 A 69 LYS middle . . 70 A 70 LYS middle . . 71 A 71 VAL middle . . 72 A 72 LYS middle . . 73 A 73 ILE middle . . 74 A 74 LYS middle . . 75 A 75 LYS middle . . 76 A 76 VAL middle . . 77 A 77 TYR middle . . 78 A 78 PHE middle . . 79 A 79 GLU middle . . 80 A 80 THR middle . . 81 A 81 LEU middle . . 82 A 82 ASP middle . . 83 A 83 ASN middle . . 84 A 84 VAL middle . . 85 A 85 ARG middle . . 86 A 86 VAL middle . . 87 A 87 VAL middle . . 88 A 88 THR middle . . 89 A 89 ASP middle . . 90 A 90 TYR middle . . 91 A 91 SER middle . . 92 A 92 GLU middle . . 93 A 93 PHE middle . . 94 A 94 GLN middle . . 95 A 95 LYS middle . . 96 A 96 ILE middle . . 97 A 97 LEU middle . . 98 A 98 LYS middle . . 99 A 99 LYS middle . . 100 A 100 ARG middle . . 101 A 101 GLY middle . false 102 A 102 THR middle . . 103 A 103 LYS middle . . 104 A 104 LEU middle . . 105 A 105 GLU middle . . 106 A 106 HIS middle . . 107 A 107 HIS middle . . 108 A 108 HIS middle . . 109 A 109 HIS middle . . 110 A 110 HIS middle . . 111 A 111 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 HA H 1 3.72 0.02 A 1 MET HBx H 1 1.82 0.02 A 1 MET HBy H 1 2.18 0.02 A 1 MET HE% H 1 1.94 0.02 A 1 MET HGx H 1 2.52 0.02 A 1 MET HGy H 1 2.56 0.02 A 1 MET CA C 13 55.7 0.2 A 1 MET CB C 13 34.9 0.2 A 1 MET CE C 13 16.8 0.2 A 1 MET CG C 13 32.5 0.2 A 2 ASN HA H 1 4.98 0.02 A 2 ASN HBx H 1 2.89 0.02 A 2 ASN HBy H 1 2.91 0.02 A 2 ASN HD2x H 1 6.86 0.02 A 2 ASN HD2y H 1 7.56 0.02 A 2 ASN C C 13 176.3 0.2 A 2 ASN CA C 13 52.5 0.2 A 2 ASN CB C 13 40.9 0.2 A 2 ASN ND2 N 15 112.3 0.2 A 3 SER H H 1 9.94 0.02 A 3 SER HA H 1 3.72 0.02 A 3 SER HBx H 1 3.63 0.02 A 3 SER HBy H 1 3.98 0.02 A 3 SER C C 13 175.9 0.2 A 3 SER CA C 13 63.3 0.2 A 3 SER CB C 13 61.7 0.2 A 3 SER N N 15 118.2 0.2 A 4 GLU H H 1 8.45 0.02 A 4 GLU HA H 1 4.01 0.02 A 4 GLU HBx H 1 2.04 0.02 A 4 GLU HBy H 1 2.08 0.02 A 4 GLU HGx H 1 2.25 0.02 A 4 GLU HGy H 1 2.30 0.02 A 4 GLU C C 13 178.8 0.2 A 4 GLU CA C 13 60.3 0.2 A 4 GLU CB C 13 29.1 0.2 A 4 GLU CG C 13 36.0 0.2 A 4 GLU N N 15 123.6 0.2 A 5 VAL H H 1 7.59 0.02 A 5 VAL HA H 1 3.85 0.02 A 5 VAL HB H 1 2.26 0.02 A 5 VAL HG1% H 1 1.06 0.02 A 5 VAL HG2% H 1 1.14 0.02 A 5 VAL C C 13 179.1 0.2 A 5 VAL CA C 13 65.8 0.2 A 5 VAL CB C 13 32.3 0.2 A 5 VAL CG1 C 13 21.5 0.2 A 5 VAL CG2 C 13 22.8 0.2 A 5 VAL N N 15 119.3 0.2 A 6 ILE H H 1 7.24 0.02 A 6 ILE HA H 1 3.58 0.02 A 6 ILE HB H 1 1.94 0.02 A 6 ILE HD1% H 1 0.82 0.02 A 6 ILE HG1x H 1 1.11 0.02 A 6 ILE HG1y H 1 1.55 0.02 A 6 ILE HG2% H 1 0.74 0.02 A 6 ILE C C 13 177.0 0.2 A 6 ILE CA C 13 65.3 0.2 A 6 ILE CB C 13 37.9 0.2 A 6 ILE CD1 C 13 14.4 0.2 A 6 ILE CG1 C 13 29.7 0.2 A 6 ILE CG2 C 13 17.1 0.2 A 6 ILE N N 15 120.3 0.2 A 7 LYS H H 1 8.05 0.02 A 7 LYS HA H 1 3.57 0.02 A 7 LYS HBx H 1 1.74 0.02 A 7 LYS HBy H 1 1.83 0.02 A 7 LYS HDx H 1 1.57 0.02 A 7 LYS HDy H 1 1.64 0.02 A 7 LYS HEx H 1 2.68 0.02 A 7 LYS HEy H 1 2.73 0.02 A 7 LYS HGx H 1 0.81 0.02 A 7 LYS HGy H 1 1.33 0.02 A 7 LYS C C 13 178.7 0.2 A 7 LYS CA C 13 61.3 0.2 A 7 LYS CB C 13 32.2 0.2 A 7 LYS CD C 13 29.8 0.2 A 7 LYS CE C 13 42.1 0.2 A 7 LYS CG C 13 26.8 0.2 A 7 LYS N N 15 119.2 0.2 A 8 GLU H H 1 8.10 0.02 A 8 GLU HA H 1 4.00 0.02 A 8 GLU HBx H 1 2.09 0.02 A 8 GLU HBy H 1 2.13 0.02 A 8 GLU HGx H 1 2.28 0.02 A 8 GLU HGy H 1 2.48 0.02 A 8 GLU C C 13 178.5 0.2 A 8 GLU CA C 13 59.7 0.2 A 8 GLU CB C 13 29.6 0.2 A 8 GLU CG C 13 36.3 0.2 A 8 GLU N N 15 119.4 0.2 A 9 PHE H H 1 7.72 0.02 A 9 PHE HA H 1 4.16 0.02 A 9 PHE HBx H 1 2.95 0.02 A 9 PHE HBy H 1 3.04 0.02 A 9 PHE HDx H 1 6.50 0.02 A 9 PHE HEx H 1 6.70 0.02 A 9 PHE HZ H 1 7.00 0.02 A 9 PHE C C 13 176.9 0.2 A 9 PHE CA C 13 61.3 0.2 A 9 PHE CB C 13 39.4 0.2 A 9 PHE CDx C 13 131.2 0.2 A 9 PHE CEx C 13 130.4 0.2 A 9 PHE CZ C 13 129.5 0.2 A 9 PHE N N 15 121.3 0.2 A 10 LEU H H 1 8.06 0.02 A 10 LEU HA H 1 3.66 0.02 A 10 LEU HBx H 1 1.44 0.02 A 10 LEU HBy H 1 1.83 0.02 A 10 LEU HD1% H 1 0.45 0.02 A 10 LEU HD2% H 1 0.70 0.02 A 10 LEU HG H 1 1.82 0.02 A 10 LEU C C 13 179.0 0.2 A 10 LEU CA C 13 58.0 0.2 A 10 LEU CB C 13 41.4 0.2 A 10 LEU CD1 C 13 27.1 0.2 A 10 LEU CD2 C 13 24.2 0.2 A 10 LEU CG C 13 27.3 0.2 A 10 LEU N N 15 118.0 0.2 A 11 GLU H H 1 7.99 0.02 A 11 GLU HA H 1 4.11 0.02 A 11 GLU HBx H 1 2.10 0.02 A 11 GLU HBy H 1 2.13 0.02 A 11 GLU HGx H 1 2.38 0.02 A 11 GLU HGy H 1 2.49 0.02 A 11 GLU C C 13 174.2 0.2 A 11 GLU CA C 13 59.2 0.2 A 11 GLU CB C 13 29.3 0.2 A 11 GLU CG C 13 36.4 0.2 A 11 GLU N N 15 118.3 0.2 A 12 ASP H H 1 8.08 0.02 A 12 ASP HA H 1 4.34 0.02 A 12 ASP HBx H 1 2.54 0.02 A 12 ASP HBy H 1 2.82 0.02 A 12 ASP C C 13 178.9 0.2 A 12 ASP CA C 13 57.6 0.2 A 12 ASP CB C 13 41.0 0.2 A 12 ASP N N 15 121.8 0.2 A 13 ILE H H 1 7.61 0.02 A 13 ILE HA H 1 4.24 0.02 A 13 ILE HB H 1 1.92 0.02 A 13 ILE HD1% H 1 0.55 0.02 A 13 ILE HG1x H 1 0.96 0.02 A 13 ILE HG1y H 1 1.06 0.02 A 13 ILE HG2% H 1 0.33 0.02 A 13 ILE C C 13 176.8 0.2 A 13 ILE CA C 13 62.1 0.2 A 13 ILE CB C 13 38.3 0.2 A 13 ILE CD1 C 13 14.4 0.2 A 13 ILE CG1 C 13 26.0 0.2 A 13 ILE CG2 C 13 17.3 0.2 A 13 ILE N N 15 110.8 0.2 A 14 GLY H H 1 7.64 0.02 A 14 GLY HAx H 1 3.81 0.02 A 14 GLY HAy H 1 3.88 0.02 A 14 GLY C C 13 175.2 0.2 A 14 GLY CA C 13 46.9 0.2 A 14 GLY N N 15 111.8 0.2 A 15 GLU H H 1 7.87 0.02 A 15 GLU HA H 1 4.68 0.02 A 15 GLU HBx H 1 1.46 0.02 A 15 GLU HBy H 1 2.15 0.02 A 15 GLU HGx H 1 2.11 0.02 A 15 GLU HGy H 1 2.24 0.02 A 15 GLU C C 13 175.1 0.2 A 15 GLU CA C 13 54.8 0.2 A 15 GLU CB C 13 32.2 0.2 A 15 GLU CG C 13 34.9 0.2 A 15 GLU N N 15 119.2 0.2 A 16 ASP H H 1 8.22 0.02 A 16 ASP HA H 1 4.68 0.02 A 16 ASP HBx H 1 2.57 0.02 A 16 ASP HBy H 1 2.63 0.02 A 16 ASP C C 13 174.6 0.2 A 16 ASP CA C 13 53.6 0.2 A 16 ASP CB C 13 42.9 0.2 A 16 ASP N N 15 120.6 0.2 A 17 TYR H H 1 7.54 0.02 A 17 TYR HA H 1 4.91 0.02 A 17 TYR HBx H 1 2.66 0.02 A 17 TYR HBy H 1 3.02 0.02 A 17 TYR HDx H 1 6.77 0.02 A 17 TYR HEx H 1 6.79 0.02 A 17 TYR C C 13 173.6 0.2 A 17 TYR CA C 13 56.2 0.2 A 17 TYR CB C 13 41.1 0.2 A 17 TYR CDx C 13 134.2 0.2 A 17 TYR CEx C 13 117.7 0.2 A 17 TYR N N 15 112.7 0.2 A 18 ILE H H 1 7.95 0.02 A 18 ILE HA H 1 4.33 0.02 A 18 ILE HB H 1 1.79 0.02 A 18 ILE HD1% H 1 0.78 0.02 A 18 ILE HG1x H 1 1.08 0.02 A 18 ILE HG1y H 1 1.50 0.02 A 18 ILE HG2% H 1 0.79 0.02 A 18 ILE C C 13 174.7 0.2 A 18 ILE CA C 13 60.3 0.2 A 18 ILE CB C 13 41.0 0.2 A 18 ILE CD1 C 13 13.3 0.2 A 18 ILE CG1 C 13 27.7 0.2 A 18 ILE CG2 C 13 17.2 0.2 A 18 ILE N N 15 120.4 0.2 A 19 GLU H H 1 8.76 0.02 A 19 GLU HA H 1 5.20 0.02 A 19 GLU HBx H 1 1.89 0.02 A 19 GLU HBy H 1 2.16 0.02 A 19 GLU HGx H 1 2.19 0.02 A 19 GLU HGy H 1 2.25 0.02 A 19 GLU C C 13 175.2 0.2 A 19 GLU CA C 13 55.5 0.2 A 19 GLU CB C 13 32.4 0.2 A 19 GLU CG C 13 36.8 0.2 A 19 GLU N N 15 129.0 0.2 A 20 LEU H H 1 8.73 0.02 A 20 LEU HA H 1 4.62 0.02 A 20 LEU HBx H 1 1.42 0.02 A 20 LEU HBy H 1 1.61 0.02 A 20 LEU HD1% H 1 0.64 0.02 A 20 LEU HD2% H 1 0.75 0.02 A 20 LEU HG H 1 1.36 0.02 A 20 LEU C C 13 176.2 0.2 A 20 LEU CA C 13 54.1 0.2 A 20 LEU CB C 13 44.4 0.2 A 20 LEU CD1 C 13 25.0 0.2 A 20 LEU CD2 C 13 24.1 0.2 A 20 LEU CG C 13 27.7 0.2 A 20 LEU N N 15 128.4 0.2 A 21 GLU H H 1 8.70 0.02 A 21 GLU HA H 1 3.87 0.02 A 21 GLU HBx H 1 1.98 0.02 A 21 GLU HBy H 1 2.01 0.02 A 21 GLU HGx H 1 2.18 0.02 A 21 GLU HGy H 1 2.22 0.02 A 21 GLU C C 13 176.1 0.2 A 21 GLU CA C 13 58.8 0.2 A 21 GLU CB C 13 28.2 0.2 A 21 GLU CG C 13 36.2 0.2 A 21 GLU N N 15 122.6 0.2 A 22 ASN H H 1 8.64 0.02 A 22 ASN HA H 1 4.54 0.02 A 22 ASN HBx H 1 2.99 0.02 A 22 ASN HBy H 1 3.06 0.02 A 22 ASN HD2x H 1 6.77 0.02 A 22 ASN HD2y H 1 7.42 0.02 A 22 ASN C C 13 173.8 0.2 A 22 ASN CA C 13 54.6 0.2 A 22 ASN CB C 13 38.4 0.2 A 22 ASN N N 15 118.0 0.2 A 22 ASN ND2 N 15 112.8 0.2 A 23 GLU H H 1 7.74 0.02 A 23 GLU HA H 1 5.43 0.02 A 23 GLU HBx H 1 1.73 0.02 A 23 GLU HBy H 1 1.99 0.02 A 23 GLU HGx H 1 1.97 0.02 A 23 GLU HGy H 1 2.37 0.02 A 23 GLU C C 13 175.4 0.2 A 23 GLU CA C 13 54.9 0.2 A 23 GLU CB C 13 34.5 0.2 A 23 GLU CG C 13 36.4 0.2 A 23 GLU N N 15 116.4 0.2 A 24 ILE H H 1 9.05 0.02 A 24 ILE HA H 1 4.81 0.02 A 24 ILE HB H 1 1.51 0.02 A 24 ILE HD1% H 1 0.52 0.02 A 24 ILE HG1x H 1 0.79 0.02 A 24 ILE HG1y H 1 1.52 0.02 A 24 ILE HG2% H 1 0.66 0.02 A 24 ILE C C 13 174.6 0.2 A 24 ILE CA C 13 60.7 0.2 A 24 ILE CB C 13 41.3 0.2 A 24 ILE CD1 C 13 13.3 0.2 A 24 ILE CG1 C 13 27.6 0.2 A 24 ILE CG2 C 13 17.5 0.2 A 24 ILE N N 15 122.8 0.2 A 25 HIS H H 1 9.49 0.02 A 25 HIS HA H 1 5.09 0.02 A 25 HIS HBx H 1 2.88 0.02 A 25 HIS HBy H 1 3.01 0.02 A 25 HIS HD2 H 1 6.61 0.02 A 25 HIS HE1 H 1 7.51 0.02 A 25 HIS C C 13 176.1 0.2 A 25 HIS CA C 13 56.1 0.2 A 25 HIS CB C 13 33.1 0.2 A 25 HIS CD2 C 13 115.8 0.2 A 25 HIS CE1 C 13 137.7 0.2 A 25 HIS N N 15 127.3 0.2 A 26 LEU H H 1 8.82 0.02 A 26 LEU HA H 1 5.16 0.02 A 26 LEU HBx H 1 1.68 0.02 A 26 LEU HBy H 1 1.74 0.02 A 26 LEU HD1% H 1 0.81 0.02 A 26 LEU HD2% H 1 1.05 0.02 A 26 LEU HG H 1 1.70 0.02 A 26 LEU C C 13 178.0 0.2 A 26 LEU CA C 13 52.9 0.2 A 26 LEU CB C 13 48.1 0.2 A 26 LEU CD1 C 13 27.6 0.2 A 26 LEU CD2 C 13 25.3 0.2 A 26 LEU CG C 13 26.8 0.2 A 26 LEU N N 15 121.6 0.2 A 27 LYS H H 1 8.99 0.02 A 27 LYS HA H 1 4.63 0.02 A 27 LYS HBx H 1 1.74 0.02 A 27 LYS HBy H 1 2.21 0.02 A 27 LYS HDx H 1 1.82 0.02 A 27 LYS HDy H 1 1.87 0.02 A 27 LYS HEx H 1 3.07 0.02 A 27 LYS HGx H 1 1.69 0.02 A 27 LYS HGy H 1 1.73 0.02 A 27 LYS CA C 13 55.7 0.2 A 27 LYS CB C 13 31.9 0.2 A 27 LYS CD C 13 29.5 0.2 A 27 LYS CE C 13 42.3 0.2 A 27 LYS CG C 13 25.8 0.2 A 27 LYS N N 15 125.9 0.2 A 28 PRO HA H 1 4.50 0.02 A 28 PRO HBx H 1 2.01 0.02 A 28 PRO HBy H 1 2.07 0.02 A 28 PRO HDx H 1 3.89 0.02 A 28 PRO HDy H 1 3.98 0.02 A 28 PRO HGx H 1 2.22 0.02 A 28 PRO HGy H 1 2.28 0.02 A 28 PRO C C 13 177.9 0.2 A 28 PRO CA C 13 67.4 0.2 A 28 PRO CB C 13 32.1 0.2 A 28 PRO CD C 13 50.5 0.2 A 28 PRO CG C 13 28.4 0.2 A 29 GLU H H 1 9.88 0.02 A 29 GLU HA H 1 4.14 0.02 A 29 GLU HBx H 1 2.07 0.02 A 29 GLU HBy H 1 2.12 0.02 A 29 GLU HGx H 1 2.36 0.02 A 29 GLU HGy H 1 2.41 0.02 A 29 GLU C C 13 178.8 0.2 A 29 GLU CA C 13 60.6 0.2 A 29 GLU CB C 13 29.2 0.2 A 29 GLU CG C 13 36.9 0.2 A 29 GLU N N 15 117.1 0.2 A 30 VAL H H 1 7.05 0.02 A 30 VAL HA H 1 3.85 0.02 A 30 VAL HB H 1 2.26 0.02 A 30 VAL HG1% H 1 1.06 0.02 A 30 VAL HG2% H 1 1.08 0.02 A 30 VAL C C 13 177.7 0.2 A 30 VAL CA C 13 65.6 0.2 A 30 VAL CB C 13 32.1 0.2 A 30 VAL CG1 C 13 23.3 0.2 A 30 VAL CG2 C 13 23.1 0.2 A 30 VAL N N 15 120.9 0.2 A 31 PHE H H 1 8.98 0.02 A 31 PHE HA H 1 3.87 0.02 A 31 PHE HBx H 1 2.68 0.02 A 31 PHE HBy H 1 3.46 0.02 A 31 PHE HDx H 1 6.63 0.02 A 31 PHE C C 13 176.7 0.2 A 31 PHE CA C 13 62.2 0.2 A 31 PHE CB C 13 39.3 0.2 A 31 PHE CDx C 13 131.9 0.2 A 31 PHE N N 15 121.1 0.2 A 32 TYR H H 1 8.64 0.02 A 32 TYR HA H 1 3.88 0.02 A 32 TYR HBx H 1 3.37 0.02 A 32 TYR HBy H 1 3.46 0.02 A 32 TYR HDx H 1 7.17 0.02 A 32 TYR HEx H 1 6.84 0.02 A 32 TYR C C 13 176.0 0.2 A 32 TYR CA C 13 63.3 0.2 A 32 TYR CB C 13 39.1 0.2 A 32 TYR CDx C 13 133.4 0.2 A 32 TYR CEx C 13 118.1 0.2 A 32 TYR N N 15 117.4 0.2 A 33 GLU H H 1 7.40 0.02 A 33 GLU HA H 1 4.05 0.02 A 33 GLU HBx H 1 2.35 0.02 A 33 GLU HBy H 1 2.39 0.02 A 33 GLU HGx H 1 2.65 0.02 A 33 GLU HGy H 1 2.73 0.02 A 33 GLU C C 13 180.2 0.2 A 33 GLU CA C 13 59.5 0.2 A 33 GLU CB C 13 29.3 0.2 A 33 GLU CG C 13 35.5 0.2 A 33 GLU N N 15 116.1 0.2 A 34 VAL H H 1 8.53 0.02 A 34 VAL HA H 1 3.35 0.02 A 34 VAL HB H 1 2.00 0.02 A 34 VAL HG1% H 1 0.96 0.02 A 34 VAL HG2% H 1 1.08 0.02 A 34 VAL C C 13 175.8 0.2 A 34 VAL CA C 13 66.4 0.2 A 34 VAL CB C 13 32.2 0.2 A 34 VAL CG1 C 13 23.1 0.2 A 34 VAL CG2 C 13 24.4 0.2 A 34 VAL N N 15 120.6 0.2 A 35 TRP H H 1 9.10 0.02 A 35 TRP HA H 1 3.34 0.02 A 35 TRP HBx H 1 2.44 0.02 A 35 TRP HBy H 1 3.33 0.02 A 35 TRP HD1 H 1 6.14 0.02 A 35 TRP HE1 H 1 10.59 0.02 A 35 TRP HE3 H 1 7.38 0.02 A 35 TRP HH2 H 1 7.10 0.02 A 35 TRP HZ2 H 1 7.35 0.02 A 35 TRP HZ3 H 1 6.98 0.02 A 35 TRP C C 13 178.0 0.2 A 35 TRP CA C 13 61.8 0.2 A 35 TRP CB C 13 27.9 0.2 A 35 TRP CD1 C 13 124.5 0.2 A 35 TRP CE3 C 13 119.6 0.2 A 35 TRP CH2 C 13 125.2 0.2 A 35 TRP CZ2 C 13 115.0 0.2 A 35 TRP CZ3 C 13 122.4 0.2 A 35 TRP N N 15 121.7 0.2 A 35 TRP NE1 N 15 130.4 0.2 A 36 LYS H H 1 7.97 0.02 A 36 LYS HA H 1 3.33 0.02 A 36 LYS HBx H 1 1.52 0.02 A 36 LYS HBy H 1 1.66 0.02 A 36 LYS HDx H 1 1.33 0.02 A 36 LYS HDy H 1 1.39 0.02 A 36 LYS HEx H 1 2.60 0.02 A 36 LYS HEy H 1 2.85 0.02 A 36 LYS HGx H 1 1.15 0.02 A 36 LYS HGy H 1 1.17 0.02 A 36 LYS C C 13 180.0 0.2 A 36 LYS CA C 13 59.0 0.2 A 36 LYS CB C 13 31.8 0.2 A 36 LYS CD C 13 28.6 0.2 A 36 LYS CE C 13 41.9 0.2 A 36 LYS CG C 13 24.5 0.2 A 36 LYS N N 15 116.3 0.2 A 37 TYR H H 1 7.75 0.02 A 37 TYR HA H 1 3.94 0.02 A 37 TYR HBx H 1 2.54 0.02 A 37 TYR HBy H 1 2.68 0.02 A 37 TYR HDx H 1 6.49 0.02 A 37 TYR HEx H 1 6.52 0.02 A 37 TYR C C 13 177.6 0.2 A 37 TYR CA C 13 61.2 0.2 A 37 TYR CB C 13 38.8 0.2 A 37 TYR CDx C 13 133.0 0.2 A 37 TYR CEx C 13 117.8 0.2 A 37 TYR N N 15 122.7 0.2 A 38 VAL H H 1 7.66 0.02 A 38 VAL HA H 1 3.87 0.02 A 38 VAL HB H 1 2.18 0.02 A 38 VAL HG1% H 1 0.73 0.02 A 38 VAL HG2% H 1 0.47 0.02 A 38 VAL C C 13 175.6 0.2 A 38 VAL CA C 13 61.1 0.2 A 38 VAL CB C 13 30.7 0.2 A 38 VAL CG1 C 13 21.8 0.2 A 38 VAL CG2 C 13 19.3 0.2 A 38 VAL N N 15 108.2 0.2 A 39 GLY H H 1 7.09 0.02 A 39 GLY HAx H 1 3.32 0.02 A 39 GLY HAy H 1 3.73 0.02 A 39 GLY C C 13 173.6 0.2 A 39 GLY CA C 13 46.1 0.2 A 39 GLY N N 15 107.6 0.2 A 40 GLU H H 1 7.73 0.02 A 40 GLU HA H 1 1.09 0.02 A 40 GLU HBx H 1 1.08 0.02 A 40 GLU HBy H 1 1.57 0.02 A 40 GLU HGx H 1 -0.17 0.02 A 40 GLU HGy H 1 1.15 0.02 A 40 GLU CA C 13 55.7 0.2 A 40 GLU CB C 13 27.2 0.2 A 40 GLU CG C 13 35.9 0.2 A 40 GLU N N 15 114.4 0.2 A 41 PRO HA H 1 4.31 0.02 A 41 PRO HBx H 1 1.99 0.02 A 41 PRO HBy H 1 2.01 0.02 A 41 PRO HDx H 1 2.50 0.02 A 41 PRO HDy H 1 2.74 0.02 A 41 PRO HGx H 1 0.81 0.02 A 41 PRO HGy H 1 0.85 0.02 A 41 PRO CA C 13 62.3 0.2 A 41 PRO CB C 13 32.7 0.2 A 41 PRO CD C 13 51.2 0.2 A 41 PRO CG C 13 27.2 0.2 A 42 GLU H H 1 8.11 0.02 A 42 GLU C C 13 175.8 0.2 A 42 GLU CA C 13 57.8 0.2 A 42 GLU CB C 13 30.6 0.2 A 42 GLU CG C 13 36.2 0.2 A 42 GLU N N 15 119.1 0.2 A 43 LEU H H 1 8.14 0.02 A 43 LEU HA H 1 4.84 0.02 A 43 LEU HBx H 1 1.09 0.02 A 43 LEU HBy H 1 1.65 0.02 A 43 LEU HD1% H 1 0.31 0.02 A 43 LEU HD2% H 1 0.58 0.02 A 43 LEU HG H 1 1.89 0.02 A 43 LEU C C 13 177.3 0.2 A 43 LEU CA C 13 53.7 0.2 A 43 LEU CB C 13 43.9 0.2 A 43 LEU CD1 C 13 26.6 0.2 A 43 LEU CD2 C 13 24.3 0.2 A 43 LEU CG C 13 26.6 0.2 A 43 LEU N N 15 124.7 0.2 A 44 LYS H H 1 8.64 0.02 A 44 LYS HA H 1 4.50 0.02 A 44 LYS HBx H 1 0.29 0.02 A 44 LYS HBy H 1 1.64 0.02 A 44 LYS HDx H 1 1.47 0.02 A 44 LYS HDy H 1 1.59 0.02 A 44 LYS HEx H 1 2.86 0.02 A 44 LYS HEy H 1 2.88 0.02 A 44 LYS HGx H 1 1.13 0.02 A 44 LYS HGy H 1 1.27 0.02 A 44 LYS C C 13 174.5 0.2 A 44 LYS CA C 13 54.7 0.2 A 44 LYS CB C 13 36.2 0.2 A 44 LYS CD C 13 29.6 0.2 A 44 LYS CE C 13 42.8 0.2 A 44 LYS CG C 13 26.0 0.2 A 44 LYS N N 15 123.3 0.2 A 45 THR H H 1 7.99 0.02 A 45 THR HA H 1 5.70 0.02 A 45 THR HB H 1 3.90 0.02 A 45 THR HG2% H 1 0.83 0.02 A 45 THR C C 13 175.1 0.2 A 45 THR CA C 13 59.6 0.2 A 45 THR CB C 13 73.4 0.2 A 45 THR CG2 C 13 21.6 0.2 A 45 THR N N 15 106.9 0.2 A 46 TYR H H 1 8.47 0.02 A 46 TYR HA H 1 4.93 0.02 A 46 TYR HBx H 1 3.10 0.02 A 46 TYR HBy H 1 3.14 0.02 A 46 TYR HDx H 1 6.79 0.02 A 46 TYR HEx H 1 6.30 0.02 A 46 TYR C C 13 172.4 0.2 A 46 TYR CA C 13 57.1 0.2 A 46 TYR CB C 13 40.2 0.2 A 46 TYR CDx C 13 133.8 0.2 A 46 TYR CEx C 13 118.4 0.2 A 46 TYR N N 15 117.1 0.2 A 47 VAL H H 1 8.43 0.02 A 47 VAL HA H 1 4.89 0.02 A 47 VAL HB H 1 1.83 0.02 A 47 VAL HG1% H 1 0.76 0.02 A 47 VAL HG2% H 1 0.80 0.02 A 47 VAL C C 13 175.8 0.2 A 47 VAL CA C 13 60.8 0.2 A 47 VAL CB C 13 34.8 0.2 A 47 VAL CG1 C 13 22.0 0.2 A 47 VAL CG2 C 13 21.4 0.2 A 47 VAL N N 15 119.2 0.2 A 48 ILE H H 1 8.68 0.02 A 48 ILE HA H 1 4.56 0.02 A 48 ILE HB H 1 1.84 0.02 A 48 ILE HD1% H 1 0.87 0.02 A 48 ILE HG1x H 1 1.08 0.02 A 48 ILE HG1y H 1 1.42 0.02 A 48 ILE HG2% H 1 0.91 0.02 A 48 ILE C C 13 174.5 0.2 A 48 ILE CA C 13 59.7 0.2 A 48 ILE CB C 13 41.5 0.2 A 48 ILE CD1 C 13 14.4 0.2 A 48 ILE CG1 C 13 27.4 0.2 A 48 ILE CG2 C 13 18.4 0.2 A 48 ILE N N 15 124.4 0.2 A 49 GLU H H 1 8.32 0.02 A 49 GLU C C 13 175.5 0.2 A 49 GLU CA C 13 55.5 0.2 A 49 GLU CB C 13 31.8 0.2 A 49 GLU CG C 13 37.2 0.2 A 49 GLU N N 15 123.4 0.2 A 50 ASP H H 1 8.61 0.02 A 50 ASP C C 13 175.1 0.2 A 50 ASP CA C 13 53.1 0.2 A 50 ASP CB C 13 44.0 0.2 A 50 ASP N N 15 124.3 0.2 A 51 GLU H H 1 8.45 0.02 A 51 GLU C C 13 175.9 0.2 A 51 GLU CA C 13 56.0 0.2 A 51 GLU CB C 13 31.7 0.2 A 51 GLU N N 15 121.3 0.2 A 52 ILE H H 1 8.48 0.02 A 52 ILE C C 13 175.4 0.2 A 52 ILE CA C 13 60.4 0.2 A 52 ILE CB C 13 40.0 0.2 A 52 ILE N N 15 122.7 0.2 A 53 VAL H H 1 8.14 0.02 A 53 VAL C C 13 175.6 0.2 A 53 VAL CA C 13 61.9 0.2 A 53 VAL CB C 13 33.2 0.2 A 53 VAL N N 15 124.4 0.2 A 54 GLU H H 1 8.54 0.02 A 54 GLU CA C 13 55.6 0.2 A 54 GLU CB C 13 34.3 0.2 A 54 GLU N N 15 125.9 0.2 A 55 PRO C C 13 177.5 0.2 A 55 PRO CA C 13 63.4 0.2 A 55 PRO CB C 13 32.3 0.2 A 56 GLY H H 1 8.42 0.02 A 56 GLY HAx H 1 3.83 0.02 A 56 GLY HAy H 1 4.00 0.02 A 56 GLY C C 13 174.5 0.2 A 56 GLY CA C 13 45.4 0.2 A 56 GLY N N 15 109.7 0.2 A 57 GLU H H 1 8.18 0.02 A 57 GLU C C 13 176.3 0.2 A 57 GLU CA C 13 57.5 0.2 A 57 GLU CB C 13 30.4 0.2 A 57 GLU N N 15 120.9 0.2 A 58 TYR H H 1 8.02 0.02 A 58 TYR C C 13 175.1 0.2 A 58 TYR CA C 13 57.4 0.2 A 58 TYR CB C 13 38.9 0.2 A 58 TYR N N 15 118.8 0.2 A 59 ASP H H 1 7.95 0.02 A 59 ASP CA C 13 52.7 0.2 A 59 ASP CB C 13 41.0 0.2 A 59 ASP N N 15 123.5 0.2 A 61 PRO HA H 1 4.51 0.02 A 61 PRO HBx H 1 2.21 0.02 A 61 PRO HBy H 1 2.23 0.02 A 61 PRO HDx H 1 3.47 0.02 A 61 PRO HDy H 1 3.56 0.02 A 61 PRO HGx H 1 1.77 0.02 A 61 PRO HGy H 1 1.93 0.02 A 61 PRO C C 13 176.5 0.2 A 61 PRO CA C 13 63.7 0.2 A 61 PRO CB C 13 34.2 0.2 A 61 PRO CD C 13 50.3 0.2 A 61 PRO CG C 13 24.8 0.2 A 62 GLU H H 1 8.49 0.02 A 62 GLU N N 15 124.6 0.2 A 64 LYS C C 13 176.3 0.2 A 64 LYS CA C 13 57.0 0.2 A 64 LYS CB C 13 33.1 0.2 A 65 TYR H H 1 7.96 0.02 A 65 TYR C C 13 176.0 0.2 A 65 TYR CA C 13 57.8 0.2 A 65 TYR CB C 13 38.8 0.2 A 65 TYR N N 15 119.3 0.2 A 66 THR H H 1 7.82 0.02 A 66 THR HA H 1 4.28 0.02 A 66 THR HB H 1 4.13 0.02 A 66 THR HG2% H 1 1.11 0.02 A 66 THR C C 13 174.1 0.2 A 66 THR CA C 13 62.1 0.2 A 66 THR CB C 13 70.0 0.2 A 66 THR CG2 C 13 21.8 0.2 A 66 THR N N 15 113.9 0.2 A 67 ASN H H 1 8.27 0.02 A 67 ASN C C 13 174.1 0.2 A 67 ASN CA C 13 53.4 0.2 A 67 ASN CB C 13 39.3 0.2 A 67 ASN N N 15 121.4 0.2 A 68 VAL H H 1 7.66 0.02 A 68 VAL C C 13 175.5 0.2 A 68 VAL CA C 13 61.8 0.2 A 68 VAL CB C 13 33.7 0.2 A 68 VAL N N 15 119.4 0.2 A 69 LYS H H 1 8.69 0.02 A 69 LYS C C 13 175.2 0.2 A 69 LYS CA C 13 55.2 0.2 A 69 LYS CB C 13 35.2 0.2 A 69 LYS N N 15 126.5 0.2 A 70 LYS H H 1 8.23 0.02 A 70 LYS C C 13 176.4 0.2 A 70 LYS CA C 13 55.6 0.2 A 70 LYS CB C 13 33.8 0.2 A 70 LYS N N 15 122.7 0.2 A 71 VAL H H 1 8.53 0.02 A 71 VAL HA H 1 4.51 0.02 A 71 VAL C C 13 174.7 0.2 A 71 VAL CA C 13 60.9 0.2 A 71 VAL CB C 13 34.8 0.2 A 71 VAL CG1 C 13 21.6 0.2 A 71 VAL CG2 C 13 20.2 0.2 A 71 VAL N N 15 121.2 0.2 A 72 LYS H H 1 8.21 0.02 A 72 LYS HA H 1 4.80 0.02 A 72 LYS HBx H 1 1.51 0.02 A 72 LYS HBy H 1 1.66 0.02 A 72 LYS HDx H 1 1.56 0.02 A 72 LYS HDy H 1 1.58 0.02 A 72 LYS HGx H 1 1.22 0.02 A 72 LYS HGy H 1 1.42 0.02 A 72 LYS C C 13 176.2 0.2 A 72 LYS CA C 13 55.7 0.2 A 72 LYS CB C 13 33.7 0.2 A 72 LYS CD C 13 29.4 0.2 A 72 LYS CG C 13 25.7 0.2 A 72 LYS N N 15 123.6 0.2 A 73 ILE H H 1 8.89 0.02 A 73 ILE C C 13 174.4 0.2 A 73 ILE CA C 13 60.4 0.2 A 73 ILE CB C 13 40.8 0.2 A 73 ILE CD1 C 13 13.4 0.2 A 73 ILE CG1 C 13 27.3 0.2 A 73 ILE CG2 C 13 18.0 0.2 A 73 ILE N N 15 125.1 0.2 A 74 LYS H H 1 8.42 0.02 A 74 LYS HA H 1 4.80 0.02 A 74 LYS HBx H 1 1.57 0.02 A 74 LYS HBy H 1 1.68 0.02 A 74 LYS HDx H 1 1.09 0.02 A 74 LYS HDy H 1 1.16 0.02 A 74 LYS HEx H 1 2.08 0.02 A 74 LYS HEy H 1 2.41 0.02 A 74 LYS HGx H 1 0.94 0.02 A 74 LYS HGy H 1 1.18 0.02 A 74 LYS C C 13 175.6 0.2 A 74 LYS CA C 13 56.2 0.2 A 74 LYS CB C 13 34.3 0.2 A 74 LYS CD C 13 29.7 0.2 A 74 LYS CE C 13 41.6 0.2 A 74 LYS CG C 13 25.6 0.2 A 74 LYS N N 15 126.4 0.2 A 75 LYS H H 1 9.09 0.02 A 75 LYS HA H 1 4.80 0.02 A 75 LYS HBx H 1 0.49 0.02 A 75 LYS HBy H 1 1.29 0.02 A 75 LYS HDx H 1 1.27 0.02 A 75 LYS HDy H 1 1.50 0.02 A 75 LYS HEx H 1 2.55 0.02 A 75 LYS HEy H 1 2.68 0.02 A 75 LYS HGx H 1 0.96 0.02 A 75 LYS HGy H 1 1.01 0.02 A 75 LYS C C 13 174.9 0.2 A 75 LYS CA C 13 53.2 0.2 A 75 LYS CB C 13 34.2 0.2 A 75 LYS CD C 13 28.5 0.2 A 75 LYS CE C 13 43.0 0.2 A 75 LYS CG C 13 24.6 0.2 A 75 LYS N N 15 127.5 0.2 A 76 VAL H H 1 8.61 0.02 A 76 VAL HA H 1 5.34 0.02 A 76 VAL HB H 1 1.67 0.02 A 76 VAL HG1% H 1 0.13 0.02 A 76 VAL HG2% H 1 0.79 0.02 A 76 VAL C C 13 171.4 0.2 A 76 VAL CA C 13 58.0 0.2 A 76 VAL CB C 13 36.4 0.2 A 76 VAL CG1 C 13 20.5 0.2 A 76 VAL CG2 C 13 23.6 0.2 A 76 VAL N N 15 120.1 0.2 A 77 TYR H H 1 9.11 0.02 A 77 TYR HA H 1 6.15 0.02 A 77 TYR HBx H 1 2.77 0.02 A 77 TYR HBy H 1 2.89 0.02 A 77 TYR HDx H 1 6.57 0.02 A 77 TYR HEx H 1 6.51 0.02 A 77 TYR C C 13 173.6 0.2 A 77 TYR CA C 13 56.2 0.2 A 77 TYR CB C 13 44.0 0.2 A 77 TYR CDx C 13 133.4 0.2 A 77 TYR CEx C 13 118.0 0.2 A 77 TYR N N 15 121.3 0.2 A 78 PHE H H 1 8.19 0.02 A 78 PHE HA H 1 5.13 0.02 A 78 PHE HBx H 1 2.99 0.02 A 78 PHE HBy H 1 3.25 0.02 A 78 PHE HDx H 1 6.92 0.02 A 78 PHE HEx H 1 6.49 0.02 A 78 PHE HZ H 1 6.67 0.02 A 78 PHE C C 13 173.6 0.2 A 78 PHE CA C 13 55.9 0.2 A 78 PHE CB C 13 42.5 0.2 A 78 PHE CDx C 13 133.3 0.2 A 78 PHE CEx C 13 130.2 0.2 A 78 PHE CZ C 13 128.7 0.2 A 78 PHE N N 15 112.7 0.2 A 79 GLU H H 1 8.92 0.02 A 79 GLU HA H 1 5.39 0.02 A 79 GLU HBx H 1 2.00 0.02 A 79 GLU HBy H 1 2.15 0.02 A 79 GLU HGx H 1 2.23 0.02 A 79 GLU HGy H 1 2.38 0.02 A 79 GLU C C 13 177.0 0.2 A 79 GLU CA C 13 54.9 0.2 A 79 GLU CB C 13 33.6 0.2 A 79 GLU CG C 13 37.7 0.2 A 79 GLU N N 15 120.5 0.2 A 80 THR H H 1 8.97 0.02 A 80 THR HA H 1 4.70 0.02 A 80 THR HB H 1 4.89 0.02 A 80 THR HG1 H 1 6.08 0.02 A 80 THR HG2% H 1 0.99 0.02 A 80 THR C C 13 177.0 0.2 A 80 THR CA C 13 61.3 0.2 A 80 THR CB C 13 70.5 0.2 A 80 THR CG2 C 13 22.6 0.2 A 80 THR N N 15 113.2 0.2 A 81 LEU H H 1 8.61 0.02 A 81 LEU HA H 1 4.23 0.02 A 81 LEU HBx H 1 1.64 0.02 A 81 LEU HBy H 1 1.68 0.02 A 81 LEU HD1% H 1 0.93 0.02 A 81 LEU HD2% H 1 0.92 0.02 A 81 LEU HG H 1 1.71 0.02 A 81 LEU C C 13 177.4 0.2 A 81 LEU CA C 13 57.7 0.2 A 81 LEU CB C 13 42.4 0.2 A 81 LEU CD1 C 13 25.0 0.2 A 81 LEU CD2 C 13 23.9 0.2 A 81 LEU CG C 13 27.4 0.2 A 81 LEU N N 15 120.9 0.2 A 82 ASP H H 1 8.85 0.02 A 82 ASP HA H 1 4.67 0.02 A 82 ASP HBx H 1 2.59 0.02 A 82 ASP HBy H 1 3.03 0.02 A 82 ASP C C 13 174.1 0.2 A 82 ASP CA C 13 52.7 0.2 A 82 ASP CB C 13 37.9 0.2 A 82 ASP N N 15 112.3 0.2 A 83 ASN H H 1 7.79 0.02 A 83 ASN HA H 1 4.27 0.02 A 83 ASN HBx H 1 2.80 0.02 A 83 ASN HBy H 1 3.00 0.02 A 83 ASN HD2x H 1 6.67 0.02 A 83 ASN HD2y H 1 7.47 0.02 A 83 ASN C C 13 176.1 0.2 A 83 ASN CA C 13 55.3 0.2 A 83 ASN CB C 13 36.9 0.2 A 83 ASN N N 15 113.0 0.2 A 83 ASN ND2 N 15 111.6 0.2 A 84 VAL H H 1 7.66 0.02 A 84 VAL HA H 1 4.27 0.02 A 84 VAL HB H 1 1.93 0.02 A 84 VAL HG1% H 1 0.62 0.02 A 84 VAL HG2% H 1 0.69 0.02 A 84 VAL C C 13 175.8 0.2 A 84 VAL CA C 13 61.5 0.2 A 84 VAL CB C 13 33.5 0.2 A 84 VAL CG1 C 13 20.8 0.2 A 84 VAL CG2 C 13 22.3 0.2 A 84 VAL N N 15 119.7 0.2 A 85 ARG H H 1 8.18 0.02 A 85 ARG HA H 1 4.87 0.02 A 85 ARG HBx H 1 1.17 0.02 A 85 ARG HBy H 1 1.51 0.02 A 85 ARG HDx H 1 1.99 0.02 A 85 ARG HDy H 1 2.35 0.02 A 85 ARG HE H 1 7.05 0.02 A 85 ARG HGx H 1 1.19 0.02 A 85 ARG HGy H 1 1.66 0.02 A 85 ARG C C 13 174.0 0.2 A 85 ARG CA C 13 55.7 0.2 A 85 ARG CB C 13 32.6 0.2 A 85 ARG CD C 13 43.4 0.2 A 85 ARG CG C 13 27.8 0.2 A 85 ARG N N 15 124.8 0.2 A 85 ARG NE N 15 83.4 0.2 A 86 VAL H H 1 8.57 0.02 A 86 VAL HA H 1 4.58 0.02 A 86 VAL HB H 1 0.29 0.02 A 86 VAL HG1% H 1 0.56 0.02 A 86 VAL HG2% H 1 0.35 0.02 A 86 VAL C C 13 175.7 0.2 A 86 VAL CA C 13 61.7 0.2 A 86 VAL CB C 13 30.9 0.2 A 86 VAL CG1 C 13 22.7 0.2 A 86 VAL CG2 C 13 21.4 0.2 A 86 VAL N N 15 127.3 0.2 A 87 VAL H H 1 8.79 0.02 A 87 VAL HA H 1 5.01 0.02 A 87 VAL HB H 1 1.00 0.02 A 87 VAL HG1% H 1 0.84 0.02 A 87 VAL HG2% H 1 0.52 0.02 A 87 VAL C C 13 175.5 0.2 A 87 VAL CA C 13 61.9 0.2 A 87 VAL CB C 13 36.3 0.2 A 87 VAL CG1 C 13 23.3 0.2 A 87 VAL CG2 C 13 21.6 0.2 A 87 VAL N N 15 125.7 0.2 A 88 THR H H 1 8.35 0.02 A 88 THR HA H 1 4.62 0.02 A 88 THR HB H 1 3.59 0.02 A 88 THR HG1 H 1 5.26 0.02 A 88 THR HG2% H 1 -0.16 0.02 A 88 THR C C 13 173.3 0.2 A 88 THR CA C 13 61.7 0.2 A 88 THR CB C 13 70.4 0.2 A 88 THR CG2 C 13 17.9 0.2 A 88 THR N N 15 117.5 0.2 A 89 ASP H H 1 7.70 0.02 A 89 ASP HA H 1 4.48 0.02 A 89 ASP HBx H 1 2.61 0.02 A 89 ASP HBy H 1 2.66 0.02 A 89 ASP C C 13 175.9 0.2 A 89 ASP CA C 13 55.9 0.2 A 89 ASP CB C 13 43.9 0.2 A 89 ASP N N 15 120.8 0.2 A 90 TYR H H 1 8.24 0.02 A 90 TYR HA H 1 3.92 0.02 A 90 TYR HBx H 1 2.57 0.02 A 90 TYR HBy H 1 2.72 0.02 A 90 TYR HDx H 1 6.84 0.02 A 90 TYR HEx H 1 6.76 0.02 A 90 TYR C C 13 176.4 0.2 A 90 TYR CA C 13 62.3 0.2 A 90 TYR CB C 13 39.5 0.2 A 90 TYR CDx C 13 133.0 0.2 A 90 TYR CEx C 13 118.4 0.2 A 90 TYR N N 15 126.1 0.2 A 91 SER H H 1 9.16 0.02 A 91 SER HA H 1 4.00 0.02 A 91 SER HBx H 1 3.89 0.02 A 91 SER HBy H 1 4.04 0.02 A 91 SER C C 13 178.0 0.2 A 91 SER CA C 13 62.6 0.2 A 91 SER CB C 13 62.2 0.2 A 91 SER N N 15 116.6 0.2 A 92 GLU H H 1 8.59 0.02 A 92 GLU HA H 1 4.05 0.02 A 92 GLU HBx H 1 1.87 0.02 A 92 GLU HBy H 1 2.08 0.02 A 92 GLU HGx H 1 2.35 0.02 A 92 GLU HGy H 1 2.43 0.02 A 92 GLU C C 13 179.4 0.2 A 92 GLU CA C 13 58.9 0.2 A 92 GLU CB C 13 30.6 0.2 A 92 GLU CG C 13 36.2 0.2 A 92 GLU N N 15 120.2 0.2 A 93 PHE H H 1 7.87 0.02 A 93 PHE HA H 1 4.05 0.02 A 93 PHE HBx H 1 2.82 0.02 A 93 PHE HBy H 1 2.86 0.02 A 93 PHE HDx H 1 6.87 0.02 A 93 PHE HEx H 1 6.94 0.02 A 93 PHE HZ H 1 6.01 0.02 A 93 PHE C C 13 176.5 0.2 A 93 PHE CA C 13 62.2 0.2 A 93 PHE CB C 13 39.7 0.2 A 93 PHE CDx C 13 131.4 0.2 A 93 PHE CEx C 13 131.4 0.2 A 93 PHE CZ C 13 129.7 0.2 A 93 PHE N N 15 120.2 0.2 A 94 GLN H H 1 8.19 0.02 A 94 GLN HA H 1 3.39 0.02 A 94 GLN HBx H 1 1.75 0.02 A 94 GLN HBy H 1 1.80 0.02 A 94 GLN HE2x H 1 6.20 0.02 A 94 GLN HE2y H 1 6.66 0.02 A 94 GLN HGx H 1 1.77 0.02 A 94 GLN HGy H 1 1.87 0.02 A 94 GLN C C 13 178.6 0.2 A 94 GLN CA C 13 58.8 0.2 A 94 GLN CB C 13 28.4 0.2 A 94 GLN CG C 13 33.6 0.2 A 94 GLN N N 15 116.8 0.2 A 94 GLN NE2 N 15 110.6 0.2 A 95 LYS H H 1 7.06 0.02 A 95 LYS HA H 1 3.78 0.02 A 95 LYS HBx H 1 1.80 0.02 A 95 LYS HBy H 1 1.85 0.02 A 95 LYS HDx H 1 1.60 0.02 A 95 LYS HDy H 1 1.64 0.02 A 95 LYS HEx H 1 2.85 0.02 A 95 LYS HEy H 1 2.86 0.02 A 95 LYS HGx H 1 1.29 0.02 A 95 LYS HGy H 1 1.57 0.02 A 95 LYS C C 13 179.3 0.2 A 95 LYS CA C 13 59.9 0.2 A 95 LYS CB C 13 32.7 0.2 A 95 LYS CD C 13 29.8 0.2 A 95 LYS CE C 13 42.3 0.2 A 95 LYS CG C 13 25.6 0.2 A 95 LYS N N 15 117.5 0.2 A 96 ILE H H 1 7.24 0.02 A 96 ILE HA H 1 3.42 0.02 A 96 ILE HB H 1 1.67 0.02 A 96 ILE HD1% H 1 0.73 0.02 A 96 ILE HG1x H 1 1.11 0.02 A 96 ILE HG1y H 1 1.45 0.02 A 96 ILE HG2% H 1 0.31 0.02 A 96 ILE C C 13 177.8 0.2 A 96 ILE CA C 13 64.3 0.2 A 96 ILE CB C 13 37.4 0.2 A 96 ILE CD1 C 13 13.3 0.2 A 96 ILE CG1 C 13 28.7 0.2 A 96 ILE CG2 C 13 17.2 0.2 A 96 ILE N N 15 120.7 0.2 A 97 LEU H H 1 7.69 0.02 A 97 LEU HA H 1 3.58 0.02 A 97 LEU HBx H 1 1.12 0.02 A 97 LEU HBy H 1 1.23 0.02 A 97 LEU HD1% H 1 0.64 0.02 A 97 LEU HD2% H 1 0.61 0.02 A 97 LEU HG H 1 0.97 0.02 A 97 LEU C C 13 179.9 0.2 A 97 LEU CA C 13 58.1 0.2 A 97 LEU CB C 13 41.5 0.2 A 97 LEU CD1 C 13 25.4 0.2 A 97 LEU CD2 C 13 23.9 0.2 A 97 LEU CG C 13 26.3 0.2 A 97 LEU N N 15 120.0 0.2 A 98 LYS H H 1 7.51 0.02 A 98 LYS HA H 1 3.95 0.02 A 98 LYS HBx H 1 1.75 0.02 A 98 LYS HBy H 1 1.79 0.02 A 98 LYS HDx H 1 1.55 0.02 A 98 LYS HDy H 1 1.58 0.02 A 98 LYS HEx H 1 2.87 0.02 A 98 LYS HEy H 1 2.89 0.02 A 98 LYS HGx H 1 1.35 0.02 A 98 LYS HGy H 1 1.43 0.02 A 98 LYS C C 13 178.7 0.2 A 98 LYS CA C 13 58.7 0.2 A 98 LYS CB C 13 32.5 0.2 A 98 LYS CD C 13 29.1 0.2 A 98 LYS CE C 13 42.5 0.2 A 98 LYS CG C 13 25.3 0.2 A 98 LYS N N 15 117.3 0.2 A 99 LYS H H 1 7.47 0.02 A 99 LYS HA H 1 4.08 0.02 A 99 LYS HBx H 1 1.79 0.02 A 99 LYS HBy H 1 1.82 0.02 A 99 LYS HDx H 1 1.57 0.02 A 99 LYS HDy H 1 1.59 0.02 A 99 LYS HEx H 1 2.86 0.02 A 99 LYS HEy H 1 2.88 0.02 A 99 LYS HGx H 1 1.37 0.02 A 99 LYS HGy H 1 1.45 0.02 A 99 LYS C C 13 178.1 0.2 A 99 LYS CA C 13 58.4 0.2 A 99 LYS CB C 13 33.0 0.2 A 99 LYS CD C 13 29.4 0.2 A 99 LYS CE C 13 42.4 0.2 A 99 LYS CG C 13 25.3 0.2 A 99 LYS N N 15 119.0 0.2 A 100 ARG H H 1 8.02 0.02 A 100 ARG HA H 1 4.21 0.02 A 100 ARG HBx H 1 1.60 0.02 A 100 ARG HBy H 1 1.89 0.02 A 100 ARG HDx H 1 2.90 0.02 A 100 ARG HDy H 1 3.00 0.02 A 100 ARG HGx H 1 1.32 0.02 A 100 ARG HGy H 1 1.51 0.02 A 100 ARG C C 13 177.5 0.2 A 100 ARG CA C 13 56.7 0.2 A 100 ARG CB C 13 30.5 0.2 A 100 ARG CD C 13 42.9 0.2 A 100 ARG CG C 13 27.2 0.2 A 100 ARG N N 15 117.3 0.2 A 101 GLY H H 1 7.91 0.02 A 101 GLY HAx H 1 3.98 0.02 A 101 GLY HAy H 1 4.02 0.02 A 101 GLY C C 13 174.4 0.2 A 101 GLY CA C 13 46.0 0.2 A 101 GLY N N 15 108.0 0.2 A 102 THR H H 1 7.88 0.02 A 102 THR HA H 1 4.36 0.02 A 102 THR HB H 1 4.19 0.02 A 102 THR HG2% H 1 1.22 0.02 A 102 THR C C 13 174.4 0.2 A 102 THR CA C 13 62.1 0.2 A 102 THR CB C 13 70.5 0.2 A 102 THR CG2 C 13 21.9 0.2 A 102 THR N N 15 113.9 0.2 A 103 LYS H H 1 8.44 0.02 A 103 LYS C C 13 176.4 0.2 A 103 LYS CA C 13 56.6 0.2 A 103 LYS CB C 13 33.3 0.2 A 103 LYS N N 15 124.0 0.2 A 104 LEU H H 1 8.18 0.02 A 104 LEU HA H 1 4.27 0.02 A 104 LEU HBx H 1 1.48 0.02 A 104 LEU HBy H 1 1.52 0.02 A 104 LEU HD1% H 1 0.84 0.02 A 104 LEU HD2% H 1 0.79 0.02 A 104 LEU HG H 1 1.50 0.02 A 104 LEU C C 13 177.1 0.2 A 104 LEU CA C 13 55.5 0.2 A 104 LEU CB C 13 42.5 0.2 A 104 LEU CD1 C 13 25.2 0.2 A 104 LEU CD2 C 13 24.0 0.2 A 104 LEU CG C 13 27.2 0.2 A 104 LEU N N 15 123.5 0.2 A 105 GLU H H 1 8.27 0.02 A 105 GLU CA C 13 56.7 0.2 A 105 GLU CB C 13 30.8 0.2 A 105 GLU N N 15 121.7 0.2 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 3 SER H A 4 GLU H 1.0 1.8 5.0 2 2 A 4 GLU H A 5 VAL H 1.0 1.8 3.5 3 3 A 5 VAL H A 6 ILE H 1.0 1.8 3.5 4 4 A 6 ILE H A 7 LYS H 1.0 1.8 3.5 5 5 A 8 GLU H A 9 PHE H 1.0 1.8 5.0 6 6 A 9 PHE H A 10 LEU H 1.0 1.8 5.0 7 7 A 13 ILE H A 12 ASP H 1.0 1.8 5.0 8 8 A 13 ILE H A 14 GLY H 1.0 1.8 2.9 9 9 A 15 GLU H A 14 GLY H 1.0 1.8 3.5 10 10 A 15 GLU H A 16 ASP H 1.0 1.8 5.0 11 11 A 16 ASP H A 17 TYR H 1.0 1.8 5.0 12 12 A 17 TYR H A 18 ILE H 1.0 1.8 5.0 13 13 A 18 ILE H A 19 GLU H 1.0 1.8 5.0 14 14 A 22 ASN H A 23 GLU H 1.0 1.8 3.5 15 15 A 29 GLU H A 30 VAL H 1.0 1.8 3.5 16 16 A 30 VAL H A 31 PHE H 1.0 1.8 3.5 17 17 A 32 TYR H A 31 PHE H 1.0 1.8 3.5 18 18 A 32 TYR H A 33 GLU H 1.0 1.8 3.5 19 19 A 33 GLU H A 34 VAL H 1.0 1.8 3.5 20 20 A 34 VAL H A 35 TRP H 1.0 1.8 3.5 21 21 A 36 LYS H A 35 TRP H 1.0 1.8 3.5 22 22 A 36 LYS H A 37 TYR H 1.0 1.8 3.5 23 23 A 39 GLY H A 38 VAL H 1.0 1.8 3.5 24 24 A 39 GLY H A 40 GLU H 1.0 1.8 3.5 25 25 A 53 VAL H A 52 ILE H 1.0 1.8 5.0 26 26 A 56 GLY H A 57 GLU H 1.0 1.8 5.0 27 27 A 57 GLU H A 58 TYR H 1.0 1.8 5.0 28 28 A 66 THR H A 67 ASN H 1.0 1.8 5.0 29 29 A 81 LEU H A 80 THR H 1.0 1.8 5.0 30 30 A 81 LEU H A 82 ASP H 1.0 1.8 3.5 31 31 A 82 ASP H A 83 ASN H 1.0 1.8 3.5 32 32 A 83 ASN H A 84 VAL H 1.0 1.8 3.5 33 33 A 89 ASP H A 88 THR H 1.0 1.8 5.0 34 34 A 89 ASP H A 90 TYR H 1.0 1.8 5.0 35 35 A 90 TYR H A 91 SER H 1.0 1.8 5.0 36 36 A 91 SER H A 92 GLU H 1.0 1.8 5.0 37 37 A 92 GLU H A 93 PHE H 1.0 1.8 3.5 38 38 A 93 PHE H A 94 GLN H 1.0 1.8 3.5 39 39 A 94 GLN H A 95 LYS H 1.0 1.8 3.5 40 40 A 95 LYS H A 96 ILE H 1.0 1.8 3.5 41 41 A 96 ILE H A 97 LEU H 1.0 1.8 3.5 42 42 A 97 LEU H A 98 LYS H 1.0 1.8 3.5 43 43 A 98 LYS H A 99 LYS H 1.0 1.8 2.9 44 44 A 99 LYS H A 100 ARG H 1.0 1.8 5.0 45 45 A 100 ARG H A 101 GLY H 1.0 1.8 3.5 46 46 A 102 THR H A 101 GLY H 1.0 1.8 3.5 47 47 A 13 ILE H A 15 GLU H 1.0 1.8 5.5 48 48 A 37 TYR H A 39 GLY H 1.0 1.8 5.5 49 49 A 82 ASP H A 84 VAL H 1.0 1.8 5.0 50 50 A 16 ASP H A 15 GLU HA 1.0 1.8 3.5 51 51 A 18 ILE H A 17 TYR HA 1.0 1.8 3.5 52 52 A 19 GLU H A 18 ILE HA 1.0 1.8 2.9 53 53 A 19 GLU HA A 20 LEU H 1.0 1.8 2.9 54 54 A 20 LEU HA A 21 GLU H 1.0 1.8 2.9 55 55 A 22 ASN H A 21 GLU HA 1.0 1.8 2.9 56 56 A 23 GLU H A 22 ASN HA 1.0 1.8 3.5 57 57 A 23 GLU HA A 24 ILE H 1.0 1.8 3.5 58 58 A 24 ILE HA A 25 HIS H 1.0 1.8 2.9 59 59 A 25 HIS HA A 26 LEU H 1.0 1.8 3.5 60 60 A 26 LEU HA A 27 LYS H 1.0 1.8 3.5 61 61 A 41 PRO HA A 42 GLU H 1.0 1.8 2.9 62 62 A 43 LEU HA A 44 LYS H 1.0 1.8 2.9 63 63 A 45 THR HA A 46 TYR H 1.0 1.8 3.5 64 64 A 46 TYR HA A 47 VAL H 1.0 1.8 3.5 65 65 A 47 VAL HA A 48 ILE H 1.0 1.8 3.5 66 66 A 48 ILE HA A 49 GLU H 1.0 1.8 3.5 67 67 A 72 LYS HA A 73 ILE H 1.0 1.8 3.5 68 68 A 75 LYS HA A 76 VAL H 1.0 1.8 3.5 69 69 A 76 VAL HA A 77 TYR H 1.0 1.8 3.5 70 70 A 77 TYR HA A 78 PHE H 1.0 1.8 3.5 71 71 A 78 PHE HA A 79 GLU H 1.0 1.8 2.9 72 72 A 79 GLU HA A 80 THR H 1.0 1.8 2.9 73 73 A 83 ASN H A 82 ASP HA 1.0 1.8 3.5 74 74 A 84 VAL H A 83 ASN HA 1.0 1.8 3.5 75 75 A 84 VAL HA A 85 ARG H 1.0 1.8 3.5 76 76 A 85 ARG HA A 86 VAL H 1.0 1.8 2.9 77 77 A 86 VAL HA A 87 VAL H 1.0 1.8 2.9 78 78 A 87 VAL HA A 88 THR H 1.0 1.8 2.9 79 79 A 89 ASP H A 88 THR HA 1.0 1.8 2.9 80 80 A 90 TYR H A 89 ASP HA 1.0 1.8 3.5 81 81 A 98 LYS HA A 99 LYS H 1.0 1.8 3.5 82 82 A 5 VAL H A 3 SER HA 1.0 1.8 5.0 83 83 A 23 GLU H A 21 GLU HA 1.0 1.8 5.0 84 84 A 83 ASN H A 81 LEU HA 1.0 1.8 5.0 85 85 A 95 LYS HA A 97 LEU H 1.0 1.8 5.0 86 86 A 97 LEU HA A 99 LYS H 1.0 1.8 5.0 87 87 A 98 LYS HA A 100 ARG H 1.0 1.8 5.0 88 88 A 6 ILE H A 3 SER HA 1.0 1.8 5.0 89 89 A 4 GLU HA A 7 LYS H 1.0 1.8 5.0 90 90 A 5 VAL HA A 8 GLU H 1.0 1.8 5.0 91 91 A 6 ILE HA A 9 PHE H 1.0 1.8 5.0 92 92 A 7 LYS HA A 10 LEU H 1.0 1.8 5.0 93 93 A 8 GLU HA A 11 GLU H 1.0 1.8 5.0 94 94 A 9 PHE HA A 12 ASP H 1.0 1.8 5.0 95 95 A 13 ILE H A 10 LEU HA 1.0 1.8 5.0 96 96 A 11 GLU HA A 14 GLY H 1.0 1.8 5.0 97 97 A 28 PRO HA A 31 PHE H 1.0 1.8 5.0 98 98 A 32 TYR H A 29 GLU HA 1.0 1.8 5.0 99 99 A 33 GLU H A 30 VAL HA 1.0 1.8 5.0 100 100 A 31 PHE HA A 34 VAL H 1.0 1.8 5.0 101 101 A 32 TYR HA A 35 TRP H 1.0 1.8 5.0 102 102 A 36 LYS H A 33 GLU HA 1.0 1.8 5.0 103 103 A 37 TYR H A 34 VAL HA 1.0 1.8 5.0 104 104 A 39 GLY H A 36 LYS HA 1.0 1.8 5.0 105 105 A 90 TYR HA A 93 PHE H 1.0 1.8 5.0 106 106 A 91 SER HA A 94 GLN H 1.0 1.8 5.0 107 107 A 92 GLU HA A 95 LYS H 1.0 1.8 5.0 108 108 A 93 PHE HA A 96 ILE H 1.0 1.8 5.0 109 109 A 94 GLN HA A 97 LEU H 1.0 1.8 5.0 110 110 A 95 LYS HA A 98 LYS H 1.0 1.8 5.0 111 111 A 96 ILE HA A 99 LYS H 1.0 1.8 5.0 112 112 A 97 LEU HA A 100 ARG H 1.0 1.8 5.0 113 113 A 3 SER HA A 7 LYS H 1.0 1.8 5.0 114 114 A 5 VAL HA A 9 PHE H 1.0 1.8 5.0 115 115 A 6 ILE HA A 10 LEU H 1.0 1.8 5.0 116 116 A 7 LYS HA A 11 GLU H 1.0 1.8 5.0 117 117 A 8 GLU HA A 12 ASP H 1.0 1.8 5.0 118 118 A 10 LEU HA A 14 GLY H 1.0 1.8 5.0 119 119 A 15 GLU H A 11 GLU HA 1.0 1.8 5.0 120 120 A 23 GLU H A 19 GLU HA 1.0 1.8 5.0 121 121 A 30 VAL HA A 34 VAL H 1.0 1.8 5.0 122 122 A 31 PHE HA A 35 TRP H 1.0 1.8 5.0 123 123 A 34 VAL HA A 38 VAL H 1.0 1.8 5.0 124 124 A 90 TYR HA A 94 GLN H 1.0 1.8 5.0 125 125 A 92 GLU HA A 96 ILE H 1.0 1.8 5.0 126 126 A 93 PHE HA A 97 LEU H 1.0 1.8 5.0 127 127 A 94 GLN HA A 98 LYS H 1.0 1.8 5.0 128 128 A 95 LYS HA A 99 LYS H 1.0 1.8 5.0 129 129 A 96 ILE HA A 100 ARG H 1.0 1.8 5.0 130 130 A 97 LEU HA A 101 GLY H 1.0 1.8 5.0 131 131 A 6 ILE H A 5 VAL HB 1.0 1.8 5.0 132 132 A 6 ILE HB A 7 LYS H 1.0 1.8 5.0 133 133 A 8 GLU H A 7 LYS HBx 1.0 1.8 4.5 134 133 A 7 LYS HBy A 8 GLU H 1.0 1.8 4.5 135 134 A 11 GLU HBy A 12 ASP H 1.0 1.8 4.5 136 134 A 12 ASP H A 11 GLU HBx 1.0 1.8 4.5 137 135 A 13 ILE HB A 14 GLY H 1.0 1.8 5.0 138 136 A 19 GLU H A 18 ILE HB 1.0 1.8 5.0 139 137 A 25 HIS H A 24 ILE HB 1.0 1.8 5.0 140 138 A 27 LYS H A 26 LEU HBx 1.0 1.8 4.5 141 138 A 27 LYS H A 26 LEU HBy 1.0 1.8 4.5 142 139 A 30 VAL HB A 31 PHE H 1.0 1.8 3.5 143 140 A 34 VAL HB A 35 TRP H 1.0 1.8 5.0 144 141 A 39 GLY H A 38 VAL HB 1.0 1.8 5.0 145 142 A 45 THR HB A 46 TYR H 1.0 1.8 3.5 146 143 A 47 VAL HB A 48 ILE H 1.0 1.8 5.0 147 144 A 49 GLU H A 48 ILE HB 1.0 1.8 5.0 148 145 A 76 VAL HB A 77 TYR H 1.0 1.8 5.0 149 146 A 79 GLU H A 78 PHE HBy 1.0 1.8 4.0 150 147 A 79 GLU H A 78 PHE HBx 1.0 1.8 4.0 151 148 A 89 ASP H A 88 THR HB 1.0 1.8 5.0 152 149 A 93 PHE HBy A 94 GLN H 1.0 1.8 4.5 153 149 A 94 GLN H A 93 PHE HBx 1.0 1.8 4.5 154 150 A 96 ILE HB A 97 LEU H 1.0 1.8 3.5 155 151 A 99 LYS HBy A 100 ARG H 1.0 1.8 4.5 156 151 A 100 ARG H A 99 LYS HBx 1.0 1.8 4.5 157 152 A 6 ILE H A 5 VAL HG1% 1.0 1.8 5.5 158 153 A 6 ILE H A 5 VAL HG2% 1.0 1.8 5.5 159 154 A 6 ILE HD1% A 7 LYS H 1.0 1.8 5.5 160 155 A 6 ILE HG1y A 7 LYS H 1.0 1.8 5.5 161 155 A 7 LYS H A 6 ILE HG1x 1.0 1.8 5.5 162 156 A 6 ILE HG2% A 7 LYS H 1.0 1.8 5.5 163 157 A 9 PHE HD% A 10 LEU H 1.0 1.8 5.5 164 158 A 10 LEU HD1% A 11 GLU H 1.0 1.8 5.5 165 159 A 10 LEU HD2% A 11 GLU H 1.0 1.8 5.5 166 160 A 11 GLU HGy A 12 ASP H 1.0 1.8 5.5 167 160 A 12 ASP H A 11 GLU HGx 1.0 1.8 5.5 168 161 A 13 ILE HD1% A 14 GLY H 1.0 1.8 5.5 169 162 A 14 GLY H A 13 ILE HG1x 1.0 1.8 5.0 170 162 A 13 ILE HG1y A 14 GLY H 1.0 1.8 5.0 171 163 A 13 ILE HG2% A 14 GLY H 1.0 1.8 5.5 172 164 A 18 ILE H A 17 TYR HD% 1.0 1.8 5.5 173 165 A 19 GLU H A 18 ILE HD1% 1.0 1.8 5.5 174 166 A 19 GLU H A 18 ILE HG1x 1.0 1.8 5.0 175 166 A 19 GLU H A 18 ILE HG1y 1.0 1.8 5.0 176 167 A 19 GLU H A 18 ILE HG2% 1.0 1.8 5.0 177 168 A 20 LEU H A 19 GLU HGx 1.0 1.8 5.0 178 168 A 20 LEU H A 19 GLU HGy 1.0 1.8 5.0 179 169 A 21 GLU H A 20 LEU HD1% 1.0 1.8 5.5 180 170 A 21 GLU H A 20 LEU HD2% 1.0 1.8 5.5 181 171 A 23 GLU HGy A 24 ILE H 1.0 1.8 5.0 182 171 A 24 ILE H A 23 GLU HGx 1.0 1.8 5.0 183 172 A 25 HIS H A 24 ILE HG2% 1.0 1.8 5.5 184 173 A 27 LYS H A 26 LEU HD1% 1.0 1.8 5.5 185 174 A 27 LYS H A 26 LEU HD2% 1.0 1.8 5.5 186 175 A 29 GLU H A 28 PRO HDx 1.0 1.8 5.0 187 175 A 29 GLU H A 28 PRO HDy 1.0 1.8 5.0 188 176 A 29 GLU H A 28 PRO HGx 1.0 1.8 5.0 189 176 A 29 GLU H A 28 PRO HGy 1.0 1.8 5.0 190 177 A 30 VAL H A 29 GLU HGy 1.0 1.8 5.5 191 177 A 30 VAL H A 29 GLU HGx 1.0 1.8 5.5 192 178 A 30 VAL HG1% A 31 PHE H 1.0 1.8 5.5 193 179 A 30 VAL HG2% A 31 PHE H 1.0 1.8 5.5 194 180 A 32 TYR H A 31 PHE HD% 1.0 1.8 5.5 195 181 A 34 VAL H A 33 GLU HGx 1.0 1.8 5.5 196 181 A 33 GLU HGy A 34 VAL H 1.0 1.8 5.5 197 182 A 34 VAL HG1% A 35 TRP H 1.0 1.8 5.5 198 183 A 34 VAL HG2% A 35 TRP H 1.0 1.8 5.5 199 184 A 36 LYS H A 35 TRP HE3 1.0 1.8 5.0 200 185 A 37 TYR H A 36 LYS HGy 1.0 1.8 5.5 201 185 A 37 TYR H A 36 LYS HGx 1.0 1.8 5.5 202 186 A 37 TYR HD% A 38 VAL H 1.0 1.8 5.5 203 187 A 39 GLY H A 38 VAL HG1% 1.0 1.8 5.5 204 188 A 39 GLY H A 38 VAL HG2% 1.0 1.8 5.5 205 189 A 43 LEU HD2% A 44 LYS H 1.0 1.8 5.5 206 190 A 43 LEU HD1% A 44 LYS H 1.0 1.8 5.5 207 191 A 43 LEU HG A 44 LYS H 1.0 1.8 5.5 208 192 A 45 THR H A 44 LYS HGx 1.0 1.8 5.5 209 192 A 44 LYS HGy A 45 THR H 1.0 1.8 5.5 210 193 A 45 THR HG2% A 46 TYR H 1.0 1.8 5.5 211 194 A 47 VAL H A 46 TYR HD% 1.0 1.8 5.5 212 195 A 47 VAL HG1% A 48 ILE H 1.0 1.8 5.5 213 196 A 47 VAL HG2% A 48 ILE H 1.0 1.8 5.5 214 197 A 49 GLU H A 48 ILE HG2% 1.0 1.8 5.5 215 198 A 74 LYS HGy A 75 LYS H 1.0 1.8 5.0 216 198 A 75 LYS H A 74 LYS HGx 1.0 1.8 5.0 217 199 A 75 LYS HDy A 76 VAL H 1.0 1.8 5.5 218 199 A 76 VAL H A 75 LYS HDx 1.0 1.8 5.5 219 200 A 75 LYS HGy A 76 VAL H 1.0 1.8 5.5 220 200 A 76 VAL H A 75 LYS HGx 1.0 1.8 5.5 221 201 A 76 VAL HG1% A 77 TYR H 1.0 1.8 5.5 222 202 A 76 VAL HG2% A 77 TYR H 1.0 1.8 5.5 223 203 A 77 TYR HD% A 78 PHE H 1.0 1.8 5.5 224 204 A 79 GLU H A 78 PHE HD% 1.0 1.8 5.5 225 205 A 79 GLU HGy A 80 THR H 1.0 1.8 5.0 226 205 A 80 THR H A 79 GLU HGx 1.0 1.8 5.0 227 206 A 82 ASP H A 81 LEU HD1% 1.0 1.8 5.5 228 207 A 84 VAL HG1% A 85 ARG H 1.0 1.8 5.5 229 208 A 84 VAL HG2% A 85 ARG H 1.0 1.8 5.5 230 209 A 86 VAL H A 85 ARG HGx 1.0 1.8 5.5 231 209 A 85 ARG HGy A 86 VAL H 1.0 1.8 5.5 232 210 A 86 VAL HG1% A 87 VAL H 1.0 1.8 5.5 233 211 A 86 VAL HG2% A 87 VAL H 1.0 1.8 5.5 234 212 A 87 VAL HG1% A 88 THR H 1.0 1.8 5.5 235 213 A 87 VAL HG2% A 88 THR H 1.0 1.8 5.5 236 214 A 89 ASP H A 88 THR HG1 1.0 1.8 5.0 237 215 A 89 ASP H A 88 THR HG2% 1.0 1.8 5.5 238 216 A 91 SER H A 90 TYR HD% 1.0 1.8 5.5 239 217 A 93 PHE H A 92 GLU HGx 1.0 1.8 5.5 240 217 A 92 GLU HGy A 93 PHE H 1.0 1.8 5.5 241 218 A 93 PHE HD% A 94 GLN H 1.0 1.8 5.5 242 219 A 95 LYS H A 94 GLN HGx 1.0 1.8 5.0 243 219 A 94 GLN HGy A 95 LYS H 1.0 1.8 5.0 244 220 A 96 ILE H A 95 LYS HDx 1.0 1.8 5.5 245 220 A 95 LYS HDy A 96 ILE H 1.0 1.8 5.5 246 221 A 95 LYS HGy A 96 ILE H 1.0 1.8 5.5 247 221 A 96 ILE H A 95 LYS HGx 1.0 1.8 5.5 248 222 A 96 ILE HG1y A 97 LEU H 1.0 1.8 5.5 249 222 A 97 LEU H A 96 ILE HG1x 1.0 1.8 5.5 250 223 A 96 ILE HG2% A 97 LEU H 1.0 1.8 5.5 251 224 A 97 LEU HD1% A 98 LYS H 1.0 1.8 5.5 252 225 A 97 LEU HD2% A 98 LYS H 1.0 1.8 5.5 253 226 A 97 LEU HG A 98 LYS H 1.0 1.8 5.0 254 227 A 98 LYS HGx A 99 LYS H 1.0 1.8 5.0 255 227 A 99 LYS H A 98 LYS HGy 1.0 1.8 5.0 256 228 A 100 ARG HGy A 101 GLY H 1.0 1.8 5.0 257 228 A 101 GLY H A 100 ARG HGx 1.0 1.8 5.0 258 229 A 102 THR HG2% A 103 LYS H 1.0 1.8 5.5 259 230 A 4 GLU H A 2 ASN HBx 1.0 1.8 4.5 260 230 A 4 GLU H A 2 ASN HBy 1.0 1.8 4.5 261 231 A 29 GLU H A 27 LYS HBx 1.0 1.8 5.5 262 231 A 29 GLU H A 27 LYS HBy 1.0 1.8 5.5 263 232 A 82 ASP H A 80 THR HB 1.0 1.8 3.5 264 233 A 84 VAL H A 82 ASP HBx 1.0 1.8 5.5 265 233 A 84 VAL H A 82 ASP HBy 1.0 1.8 5.5 266 234 A 95 LYS H A 93 PHE HBx 1.0 1.8 5.5 267 234 A 93 PHE HBy A 95 LYS H 1.0 1.8 5.5 268 235 A 97 LEU HBy A 99 LYS H 1.0 1.8 5.5 269 235 A 99 LYS H A 97 LEU HBx 1.0 1.8 5.5 270 236 A 101 GLY H A 99 LYS HBx 1.0 1.8 5.5 271 236 A 99 LYS HBy A 101 GLY H 1.0 1.8 5.5 272 237 A 5 VAL HG1% A 7 LYS H 1.0 1.8 5.5 273 238 A 15 GLU H A 13 ILE HD1% 1.0 1.8 5.5 274 239 A 15 GLU H A 13 ILE HG1x 1.0 1.8 5.0 275 239 A 15 GLU H A 13 ILE HG1y 1.0 1.8 5.0 276 240 A 19 GLU H A 17 TYR HD% 1.0 1.8 5.5 277 241 A 19 GLU H A 17 TYR HE% 1.0 1.8 5.5 278 242 A 21 GLU H A 19 GLU HGx 1.0 1.8 5.5 279 242 A 21 GLU H A 19 GLU HGy 1.0 1.8 5.5 280 243 A 24 ILE HG2% A 26 LEU H 1.0 1.8 5.5 281 244 A 32 TYR H A 30 VAL HG1% 1.0 1.8 5.5 282 245 A 40 GLU H A 38 VAL HG2% 1.0 1.8 5.5 283 246 A 50 ASP H A 48 ILE HG1x 1.0 1.8 5.5 284 246 A 48 ILE HG1y A 50 ASP H 1.0 1.8 5.5 285 247 A 76 VAL HG2% A 78 PHE H 1.0 1.8 5.5 286 248 A 82 ASP H A 80 THR HG1 1.0 1.8 4.0 287 249 A 83 ASN H A 81 LEU HD1% 1.0 1.8 5.5 288 250 A 89 ASP H A 87 VAL HG1% 1.0 1.8 5.5 289 251 A 5 VAL H A 2 ASN HBx 1.0 1.8 5.5 290 251 A 5 VAL H A 2 ASN HBy 1.0 1.8 5.5 291 252 A 23 GLU H A 20 LEU HBy 1.0 1.8 5.0 292 253 A 23 GLU H A 20 LEU HBx 1.0 1.8 5.0 293 254 A 30 VAL H A 27 LYS HBx 1.0 1.8 4.5 294 254 A 30 VAL H A 27 LYS HBy 1.0 1.8 4.5 295 255 A 92 GLU H A 89 ASP HBx 1.0 1.8 5.5 296 255 A 92 GLU H A 89 ASP HBy 1.0 1.8 5.5 297 256 A 5 VAL HG1% A 8 GLU H 1.0 1.8 5.5 298 257 A 6 ILE HG2% A 9 PHE H 1.0 1.8 5.5 299 258 A 13 ILE H A 10 LEU HD2% 1.0 1.8 5.5 300 259 A 22 ASN H A 19 GLU HGx 1.0 1.8 5.5 301 259 A 22 ASN H A 19 GLU HGy 1.0 1.8 5.5 302 260 A 33 GLU H A 30 VAL HG1% 1.0 1.8 5.5 303 261 A 37 TYR H A 34 VAL HG1% 1.0 1.8 5.5 304 262 A 37 TYR H A 34 VAL HG2% 1.0 1.8 5.5 305 263 A 83 ASN H A 80 THR HG1 1.0 1.8 5.0 306 264 A 90 TYR H A 87 VAL HG1% 1.0 1.8 5.5 307 265 A 4 GLU HGy A 8 GLU H 1.0 1.8 5.5 308 265 A 8 GLU H A 4 GLU HGx 1.0 1.8 5.5 309 266 A 5 VAL HG1% A 9 PHE H 1.0 1.8 5.5 310 267 A 23 GLU H A 19 GLU HGx 1.0 1.8 5.5 311 267 A 23 GLU H A 19 GLU HGy 1.0 1.8 5.5 312 268 A 84 VAL H A 80 THR HG1 1.0 1.8 5.0 313 269 A 84 VAL H A 80 THR HG2% 1.0 1.8 5.5 314 270 A 90 TYR HD% A 94 GLN H 1.0 1.8 5.5 315 271 A 96 ILE HG2% A 100 ARG H 1.0 1.8 5.5 316 272 A 3 SER HA A 6 ILE HB 1.0 1.8 5.0 317 273 A 4 GLU HA A 7 LYS HBx 1.0 1.8 5.0 318 273 A 4 GLU HA A 7 LYS HBy 1.0 1.8 5.0 319 274 A 5 VAL HA A 8 GLU HBx 1.0 1.8 5.0 320 274 A 5 VAL HA A 8 GLU HBy 1.0 1.8 5.0 321 275 A 6 ILE HA A 9 PHE HBx 1.0 1.8 5.0 322 275 A 6 ILE HA A 9 PHE HBy 1.0 1.8 5.0 323 276 A 7 LYS HA A 10 LEU HBx 1.0 1.8 5.0 324 276 A 7 LYS HA A 10 LEU HBy 1.0 1.8 5.0 325 277 A 9 PHE HA A 12 ASP HBx 1.0 1.8 5.0 326 277 A 9 PHE HA A 12 ASP HBy 1.0 1.8 5.0 327 278 A 29 GLU HA A 32 TYR HBx 1.0 1.8 5.0 328 278 A 29 GLU HA A 32 TYR HBy 1.0 1.8 5.0 329 279 A 30 VAL HA A 33 GLU HBx 1.0 1.8 5.0 330 279 A 30 VAL HA A 33 GLU HBy 1.0 1.8 5.0 331 280 A 31 PHE HA A 34 VAL HB 1.0 1.8 5.0 332 281 A 33 GLU HA A 36 LYS HBx 1.0 1.8 5.0 333 281 A 33 GLU HA A 36 LYS HBy 1.0 1.8 5.0 334 282 A 34 VAL HA A 37 TYR HBy 1.0 1.8 5.0 335 283 A 34 VAL HA A 37 TYR HBx 1.0 1.8 5.0 336 284 A 90 TYR HA A 93 PHE HBx 1.0 1.8 5.0 337 284 A 90 TYR HA A 93 PHE HBy 1.0 1.8 5.0 338 285 A 91 SER HA A 94 GLN HBx 1.0 1.8 5.0 339 285 A 91 SER HA A 94 GLN HBy 1.0 1.8 5.0 340 286 A 92 GLU HA A 95 LYS HBx 1.0 1.8 5.0 341 286 A 92 GLU HA A 95 LYS HBy 1.0 1.8 5.0 342 287 A 93 PHE HA A 96 ILE HB 1.0 1.8 5.0 343 288 A 94 GLN HA A 97 LEU HBx 1.0 1.8 5.0 344 288 A 94 GLN HA A 97 LEU HBy 1.0 1.8 5.0 345 289 A 95 LYS HA A 98 LYS HBx 1.0 1.8 5.0 346 289 A 95 LYS HA A 98 LYS HBy 1.0 1.8 5.0 347 290 A 96 ILE HA A 99 LYS HBx 1.0 1.8 5.0 348 290 A 96 ILE HA A 99 LYS HBy 1.0 1.8 5.0 349 291 A 97 LEU HA A 100 ARG HBx 1.0 1.8 5.0 350 291 A 97 LEU HA A 100 ARG HBy 1.0 1.8 5.0 351 292 A 3 SER HA A 6 ILE HD1% 1.0 1.8 5.0 352 293 A 3 SER HA A 6 ILE HG1x 1.0 1.8 5.5 353 293 A 3 SER HA A 6 ILE HG1y 1.0 1.8 5.5 354 294 A 3 SER HA A 6 ILE HG2% 1.0 1.8 5.0 355 295 A 4 GLU HA A 7 LYS HEy 1.0 1.8 5.0 356 296 A 4 GLU HA A 7 LYS HEx 1.0 1.8 5.0 357 297 A 4 GLU HA A 7 LYS HGx 1.0 1.8 5.5 358 297 A 4 GLU HA A 7 LYS HGy 1.0 1.8 5.5 359 298 A 6 ILE HA A 9 PHE HD% 1.0 1.8 5.5 360 299 A 7 LYS HA A 10 LEU HD1% 1.0 1.8 5.0 361 300 A 10 LEU HA A 13 ILE HD1% 1.0 1.8 5.0 362 301 A 10 LEU HA A 13 ILE HG1y 1.0 1.8 5.0 363 302 A 10 LEU HA A 13 ILE HG1x 1.0 1.8 5.0 364 303 A 10 LEU HA A 13 ILE HG2% 1.0 1.8 5.5 365 304 A 30 VAL HA A 33 GLU HGx 1.0 1.8 5.0 366 304 A 30 VAL HA A 33 GLU HGy 1.0 1.8 5.0 367 305 A 31 PHE HA A 34 VAL HG1% 1.0 1.8 5.5 368 306 A 31 PHE HA A 34 VAL HG2% 1.0 1.8 5.5 369 307 A 33 GLU HA A 36 LYS HGy 1.0 1.8 5.5 370 307 A 33 GLU HA A 36 LYS HGx 1.0 1.8 5.5 371 308 A 34 VAL HA A 37 TYR HD% 1.0 1.8 5.5 372 309 A 38 VAL HG2% A 35 TRP HA 1.0 1.8 5.0 373 310 A 90 TYR HA A 93 PHE HD% 1.0 1.8 5.5 374 311 A 92 GLU HA A 95 LYS HDx 1.0 1.8 5.5 375 311 A 92 GLU HA A 95 LYS HDy 1.0 1.8 5.5 376 312 A 92 GLU HA A 95 LYS HGx 1.0 1.8 5.5 377 312 A 92 GLU HA A 95 LYS HGy 1.0 1.8 5.5 378 313 A 93 PHE HA A 96 ILE HD1% 1.0 1.8 5.0 379 314 A 93 PHE HA A 96 ILE HG2% 1.0 1.8 5.5 380 315 A 94 GLN HA A 97 LEU HD1% 1.0 1.8 5.0 381 316 A 94 GLN HA A 97 LEU HD2% 1.0 1.8 5.0 382 317 A 94 GLN HA A 97 LEU HG 1.0 1.8 5.0 383 318 A 95 LYS HA A 98 LYS HDx 1.0 1.8 5.5 384 318 A 95 LYS HA A 98 LYS HDy 1.0 1.8 5.5 385 319 A 95 LYS HA A 98 LYS HEx 1.0 1.8 5.5 386 319 A 95 LYS HA A 98 LYS HEy 1.0 1.8 5.5 387 320 A 95 LYS HA A 98 LYS HGy 1.0 1.8 5.5 388 320 A 95 LYS HA A 98 LYS HGx 1.0 1.8 5.5 389 321 A 96 ILE HA A 99 LYS HGy 1.0 1.8 5.0 390 322 A 96 ILE HA A 99 LYS HGx 1.0 1.8 5.0 391 323 A 3 SER H A 82 ASP H 1.0 1.8 5.0 392 324 A 18 ILE H A 25 HIS H 1.0 1.8 5.0 393 325 A 23 GLU H A 20 LEU H 1.0 1.8 5.0 394 326 A 85 ARG H A 24 ILE H 1.0 1.8 5.0 395 327 A 87 VAL H A 24 ILE H 1.0 1.8 5.5 396 328 A 25 HIS H A 87 VAL H 1.0 1.8 5.5 397 329 A 77 TYR H A 44 LYS H 1.0 1.8 5.0 398 330 A 75 LYS H A 46 TYR H 1.0 1.8 5.0 399 331 A 73 ILE H A 48 ILE H 1.0 1.8 5.0 400 332 A 88 THR H A 76 VAL H 1.0 1.8 5.0 401 333 A 90 TYR H A 76 VAL H 1.0 1.8 5.0 402 334 A 86 VAL H A 78 PHE H 1.0 1.8 5.0 403 335 A 83 ASN H A 80 THR H 1.0 1.8 5.5 404 336 A 84 VAL H A 80 THR H 1.0 1.8 3.5 405 337 A 82 ASP H A 2 ASN HA 1.0 1.8 5.0 406 338 A 15 GLU H A 10 LEU HA 1.0 1.8 5.0 407 339 A 19 GLU HA A 25 HIS H 1.0 1.8 5.0 408 340 A 23 GLU HA A 85 ARG H 1.0 1.8 5.0 409 341 A 24 ILE HA A 87 VAL H 1.0 1.8 5.5 410 342 A 25 HIS HA A 87 VAL H 1.0 1.8 5.0 411 343 A 40 GLU H A 35 TRP HA 1.0 1.8 5.0 412 344 A 43 LEU HA A 77 TYR H 1.0 1.8 5.5 413 345 A 45 THR HA A 77 TYR H 1.0 1.8 5.0 414 346 A 47 VAL HA A 75 LYS H 1.0 1.8 5.0 415 347 A 75 LYS HA A 88 THR H 1.0 1.8 5.5 416 348 A 90 TYR H A 75 LYS HA 1.0 1.8 3.5 417 349 A 77 TYR HA A 86 VAL H 1.0 1.8 5.5 418 350 A 77 TYR HA A 88 THR H 1.0 1.8 5.0 419 351 A 84 VAL H A 79 GLU HA 1.0 1.8 5.5 420 352 A 79 GLU HA A 86 VAL H 1.0 1.8 5.0 421 353 A 20 LEU H A 24 ILE HA 1.0 1.8 5.0 422 354 A 86 VAL HA A 24 ILE H 1.0 1.8 3.5 423 355 A 88 THR HA A 26 LEU H 1.0 1.8 5.0 424 356 A 76 VAL HA A 44 LYS H 1.0 1.8 5.5 425 357 A 78 PHE HA A 44 LYS H 1.0 1.8 5.0 426 358 A 74 LYS HA A 46 TYR H 1.0 1.8 5.5 427 359 A 76 VAL HA A 46 TYR H 1.0 1.8 5.0 428 360 A 87 VAL HA A 76 VAL H 1.0 1.8 5.5 429 361 A 89 ASP HA A 76 VAL H 1.0 1.8 5.0 430 362 A 85 ARG HA A 78 PHE H 1.0 1.8 5.5 431 363 A 87 VAL HA A 78 PHE H 1.0 1.8 5.0 432 364 A 79 GLU H A 85 ARG HA 1.0 1.8 5.5 433 365 A 83 ASN HA A 80 THR H 1.0 1.8 5.0 434 366 A 85 ARG HA A 80 THR H 1.0 1.8 5.0 435 367 A 19 GLU HA A 24 ILE HA 1.0 1.8 5.0 436 368 A 45 THR HA A 76 VAL HA 1.0 1.8 5.0 437 369 A 77 TYR HA A 87 VAL HA 1.0 1.8 5.0 438 370 A 79 GLU HA A 85 ARG HA 1.0 1.8 5.0 439 371 A 6 ILE H A 1 MET HBx 1.0 1.8 5.5 440 371 A 6 ILE H A 1 MET HBy 1.0 1.8 5.5 441 372 A 84 VAL H A 3 SER HBx 1.0 1.8 5.5 442 372 A 84 VAL H A 3 SER HBy 1.0 1.8 5.5 443 373 A 25 HIS H A 18 ILE HB 1.0 1.8 5.0 444 374 A 25 HIS H A 18 ILE HG2% 1.0 1.8 5.5 445 375 A 22 ASN HBy A 85 ARG H 1.0 1.8 5.5 446 375 A 85 ARG H A 22 ASN HBx 1.0 1.8 5.5 447 376 A 24 ILE HB A 87 VAL H 1.0 1.8 5.0 448 377 A 24 ILE HG1y A 85 ARG H 1.0 1.8 5.5 449 377 A 85 ARG H A 24 ILE HG1x 1.0 1.8 5.5 450 378 A 24 ILE HG2% A 87 VAL H 1.0 1.8 5.5 451 379 A 26 LEU HBy A 31 PHE H 1.0 1.8 4.5 452 379 A 31 PHE H A 26 LEU HBx 1.0 1.8 4.5 453 380 A 87 VAL H A 26 LEU HBx 1.0 1.8 5.5 454 380 A 26 LEU HBy A 87 VAL H 1.0 1.8 5.5 455 381 A 26 LEU HD1% A 31 PHE H 1.0 1.8 5.5 456 382 A 26 LEU HD1% A 34 VAL H 1.0 1.8 5.5 457 383 A 93 PHE H A 28 PRO HBx 1.0 1.8 5.5 458 383 A 28 PRO HBy A 93 PHE H 1.0 1.8 5.5 459 384 A 89 ASP H A 28 PRO HGx 1.0 1.8 5.0 460 384 A 89 ASP H A 28 PRO HGy 1.0 1.8 5.0 461 385 A 40 GLU H A 35 TRP HD1 1.0 1.8 5.0 462 386 A 43 LEU H A 35 TRP HE1 1.0 1.8 5.0 463 387 A 43 LEU HBy A 77 TYR H 1.0 1.8 5.5 464 387 A 77 TYR H A 43 LEU HBx 1.0 1.8 5.5 465 388 A 43 LEU HD2% A 77 TYR H 1.0 1.8 5.5 466 389 A 43 LEU HD2% A 78 PHE H 1.0 1.8 5.5 467 390 A 45 THR HG2% A 75 LYS H 1.0 1.8 5.5 468 391 A 45 THR HG2% A 77 TYR H 1.0 1.8 5.5 469 392 A 47 VAL HG1% A 73 ILE H 1.0 1.8 5.5 470 393 A 47 VAL HG2% A 74 LYS H 1.0 1.8 5.5 471 394 A 73 ILE H A 48 ILE HG1x 1.0 1.8 5.0 472 394 A 48 ILE HG1y A 73 ILE H 1.0 1.8 5.0 473 395 A 90 TYR H A 75 LYS HDx 1.0 1.8 5.5 474 395 A 90 TYR H A 75 LYS HDy 1.0 1.8 5.5 475 396 A 90 TYR H A 76 VAL HB 1.0 1.8 5.0 476 397 A 76 VAL HG1% A 88 THR H 1.0 1.8 5.5 477 398 A 90 TYR H A 76 VAL HG1% 1.0 1.8 5.5 478 399 A 76 VAL HG1% A 93 PHE H 1.0 1.8 5.5 479 400 A 86 VAL H A 77 TYR HBx 1.0 1.8 5.0 480 400 A 77 TYR HBy A 86 VAL H 1.0 1.8 5.0 481 401 A 87 VAL H A 77 TYR HBx 1.0 1.8 5.5 482 401 A 77 TYR HBy A 87 VAL H 1.0 1.8 5.5 483 402 A 77 TYR HBy A 88 THR H 1.0 1.8 5.5 484 402 A 88 THR H A 77 TYR HBx 1.0 1.8 5.5 485 403 A 77 TYR HD% A 86 VAL H 1.0 1.8 5.0 486 404 A 78 PHE HE% A 86 VAL H 1.0 1.8 5.0 487 405 A 88 THR HG2% A 93 PHE H 1.0 1.8 5.5 488 406 A 102 THR H A 97 LEU HBx 1.0 1.8 5.5 489 406 A 102 THR H A 97 LEU HBy 1.0 1.8 5.5 490 407 A 3 SER H A 6 ILE HD1% 1.0 1.8 5.5 491 408 A 3 SER H A 80 THR HG1 1.0 1.8 5.0 492 409 A 3 SER H A 80 THR HG2% 1.0 1.8 5.5 493 410 A 3 SER H A 84 VAL HB 1.0 1.8 5.0 494 411 A 3 SER H A 84 VAL HG2% 1.0 1.8 5.5 495 412 A 4 GLU H A 7 LYS HBx 1.0 1.8 5.5 496 412 A 4 GLU H A 7 LYS HBy 1.0 1.8 5.5 497 413 A 4 GLU H A 7 LYS HDx 1.0 1.8 5.5 498 413 A 4 GLU H A 7 LYS HDy 1.0 1.8 5.5 499 414 A 24 ILE HD1% A 7 LYS H 1.0 1.8 5.5 500 415 A 16 ASP H A 30 VAL HG2% 1.0 1.8 5.5 501 416 A 18 ILE H A 24 ILE HG2% 1.0 1.8 5.5 502 417 A 18 ILE H A 25 HIS HBx 1.0 1.8 5.0 503 417 A 18 ILE H A 25 HIS HBy 1.0 1.8 5.0 504 418 A 18 ILE H A 26 LEU HD2% 1.0 1.8 5.0 505 419 A 20 LEU H A 23 GLU HBy 1.0 1.8 5.5 506 419 A 20 LEU H A 23 GLU HBx 1.0 1.8 5.5 507 420 A 20 LEU H A 25 HIS HD2 1.0 1.8 5.0 508 421 A 22 ASN H A 84 VAL HG2% 1.0 1.8 5.5 509 422 A 23 GLU H A 84 VAL HG1% 1.0 1.8 5.5 510 423 A 84 VAL HG1% A 24 ILE H 1.0 1.8 5.5 511 424 A 86 VAL HG1% A 24 ILE H 1.0 1.8 5.5 512 425 A 86 VAL HG2% A 24 ILE H 1.0 1.8 5.5 513 426 A 87 VAL HG2% A 24 ILE H 1.0 1.8 5.5 514 427 A 31 PHE HBy A 26 LEU H 1.0 1.8 5.5 515 427 A 26 LEU H A 31 PHE HBx 1.0 1.8 5.5 516 428 A 86 VAL HG1% A 26 LEU H 1.0 1.8 5.5 517 429 A 88 THR HB A 26 LEU H 1.0 1.8 5.0 518 430 A 27 LYS H A 30 VAL HB 1.0 1.8 3.5 519 431 A 27 LYS H A 30 VAL HG2% 1.0 1.8 5.5 520 432 A 29 GLU H A 96 ILE HD1% 1.0 1.8 5.5 521 433 A 88 THR HG2% A 31 PHE H 1.0 1.8 5.5 522 434 A 32 TYR H A 93 PHE HD% 1.0 1.8 5.5 523 435 A 32 TYR H A 93 PHE HE% 1.0 1.8 5.5 524 436 A 32 TYR H A 96 ILE HD1% 1.0 1.8 5.5 525 437 A 32 TYR H A 96 ILE HG2% 1.0 1.8 5.5 526 438 A 39 GLY H A 41 PRO HDx 1.0 1.8 5.0 527 438 A 39 GLY H A 41 PRO HDy 1.0 1.8 5.0 528 439 A 76 VAL HG2% A 44 LYS H 1.0 1.8 5.5 529 440 A 74 LYS HGy A 46 TYR H 1.0 1.8 5.0 530 440 A 46 TYR H A 74 LYS HGx 1.0 1.8 5.0 531 441 A 75 LYS HBy A 46 TYR H 1.0 1.8 5.5 532 441 A 46 TYR H A 75 LYS HBx 1.0 1.8 5.5 533 442 A 77 TYR HE% A 46 TYR H 1.0 1.8 5.5 534 443 A 47 VAL H A 74 LYS HGx 1.0 1.8 5.5 535 443 A 47 VAL H A 74 LYS HGy 1.0 1.8 5.5 536 444 A 87 VAL HG1% A 76 VAL H 1.0 1.8 5.5 537 445 A 88 THR HG2% A 76 VAL H 1.0 1.8 5.5 538 446 A 90 TYR HBy A 76 VAL H 1.0 1.8 5.5 539 446 A 76 VAL H A 90 TYR HBx 1.0 1.8 5.5 540 447 A 90 TYR HD% A 76 VAL H 1.0 1.8 5.5 541 448 A 86 VAL HB A 78 PHE H 1.0 1.8 5.0 542 449 A 86 VAL HG1% A 78 PHE H 1.0 1.8 5.5 543 450 A 86 VAL HG2% A 78 PHE H 1.0 1.8 5.5 544 451 A 87 VAL HG2% A 78 PHE H 1.0 1.8 5.5 545 452 A 84 VAL HG2% A 80 THR H 1.0 1.8 5.5 546 453 A 86 VAL HG2% A 80 THR H 1.0 1.8 5.5 547 454 A 82 ASP H A 84 VAL HB 1.0 1.8 5.0 548 455 A 82 ASP H A 84 VAL HG2% 1.0 1.8 5.5 549 456 A 5 VAL HG2% A 1 MET HA 1.0 1.8 5.5 550 457 A 1 MET HE% A 38 VAL HA 1.0 1.8 5.5 551 458 A 3 SER HA A 1 MET HE% 1.0 1.8 5.5 552 459 A 80 THR HB A 2 ASN HA 1.0 1.8 5.0 553 460 A 80 THR HG2% A 2 ASN HA 1.0 1.8 5.0 554 461 A 81 LEU HD1% A 2 ASN HA 1.0 1.8 5.5 555 462 A 3 SER HA A 24 ILE HD1% 1.0 1.8 5.0 556 463 A 3 SER HA A 80 THR HG2% 1.0 1.8 5.5 557 464 A 6 ILE HA A 34 VAL HG1% 1.0 1.8 5.5 558 465 A 6 ILE HA A 34 VAL HG2% 1.0 1.8 5.5 559 466 A 34 VAL HA A 6 ILE HG2% 1.0 1.8 5.5 560 467 A 7 LYS HA A 17 TYR HD% 1.0 1.8 5.5 561 468 A 17 TYR HA A 24 ILE HG2% 1.0 1.8 5.5 562 469 A 17 TYR HA A 26 LEU HD2% 1.0 1.8 5.0 563 470 A 19 GLU HA A 24 ILE HG1x 1.0 1.8 5.0 564 470 A 19 GLU HA A 24 ILE HG1y 1.0 1.8 5.0 565 471 A 19 GLU HA A 24 ILE HG2% 1.0 1.8 5.0 566 472 A 22 ASN HA A 84 VAL HG1% 1.0 1.8 5.0 567 473 A 22 ASN HA A 84 VAL HG2% 1.0 1.8 5.0 568 474 A 84 VAL HA A 22 ASN HBx 1.0 1.8 5.0 569 474 A 84 VAL HA A 22 ASN HBy 1.0 1.8 5.0 570 475 A 23 GLU HA A 84 VAL HG1% 1.0 1.8 5.0 571 476 A 23 GLU HA A 85 ARG HBy 1.0 1.8 5.5 572 476 A 23 GLU HA A 85 ARG HBx 1.0 1.8 5.5 573 477 A 23 GLU HA A 87 VAL HG2% 1.0 1.8 5.0 574 478 A 26 LEU HA A 24 ILE HG2% 1.0 1.8 5.5 575 479 A 25 HIS HA A 86 VAL HG1% 1.0 1.8 5.5 576 480 A 25 HIS HA A 87 VAL HB 1.0 1.8 5.0 577 481 A 25 HIS HA A 87 VAL HG2% 1.0 1.8 5.0 578 482 A 31 PHE HA A 26 LEU HD1% 1.0 1.8 5.0 579 483 A 28 PRO HA A 88 THR HG2% 1.0 1.8 5.0 580 484 A 93 PHE HA A 28 PRO HBx 1.0 1.8 5.0 581 484 A 93 PHE HA A 28 PRO HBy 1.0 1.8 5.0 582 485 A 29 GLU HA A 96 ILE HD1% 1.0 1.8 5.5 583 486 A 29 GLU HA A 96 ILE HG2% 1.0 1.8 5.5 584 487 A 97 LEU HA A 32 TYR HE% 1.0 1.8 5.5 585 488 A 34 VAL HA A 38 VAL HG1% 1.0 1.8 5.5 586 489 A 35 TRP HA A 41 PRO HDx 1.0 1.8 5.5 587 489 A 35 TRP HA A 41 PRO HDy 1.0 1.8 5.5 588 490 A 35 TRP HA A 78 PHE HE% 1.0 1.8 5.0 589 491 A 35 TRP HA A 78 PHE HZ 1.0 1.8 5.5 590 492 A 35 TRP HD1 A 40 GLU HA 1.0 1.8 5.0 591 493 A 40 GLU HA A 35 TRP HE1 1.0 1.8 5.0 592 494 A 43 LEU HA A 76 VAL HG2% 1.0 1.8 5.0 593 495 A 78 PHE HA A 43 LEU HD2% 1.0 1.8 5.0 594 496 A 45 THR HA A 76 VAL HB 1.0 1.8 5.0 595 497 A 45 THR HA A 76 VAL HG2% 1.0 1.8 5.0 596 498 A 45 THR HA A 77 TYR HD% 1.0 1.8 5.5 597 499 A 76 VAL HA A 45 THR HG2% 1.0 1.8 5.5 598 500 A 72 LYS HA A 47 VAL HG1% 1.0 1.8 5.0 599 501 A 75 LYS HA A 87 VAL HG1% 1.0 1.8 5.0 600 502 A 76 VAL HA A 90 TYR HD% 1.0 1.8 5.5 601 503 A 90 TYR HA A 76 VAL HB 1.0 1.8 5.0 602 504 A 90 TYR HA A 76 VAL HG1% 1.0 1.8 5.0 603 505 A 90 TYR HA A 76 VAL HG2% 1.0 1.8 5.5 604 506 A 77 TYR HA A 87 VAL HG1% 1.0 1.8 5.5 605 507 A 77 TYR HA A 87 VAL HG2% 1.0 1.8 5.5 606 508 A 35 TRP HA A 78 PHE HZ 1.0 1.8 5.0 607 509 A 79 GLU HA A 85 ARG HGx 1.0 1.8 5.5 608 509 A 79 GLU HA A 85 ARG HGy 1.0 1.8 5.5 609 510 A 90 TYR HA A 94 GLN HBx 1.0 1.8 5.0 610 510 A 90 TYR HA A 94 GLN HBy 1.0 1.8 5.0 611 511 A 90 TYR HA A 94 GLN HGx 1.0 1.8 5.0 612 511 A 90 TYR HA A 94 GLN HGy 1.0 1.8 5.0 613 512 A 97 LEU HA A 102 THR HB 1.0 1.8 5.0 614 513 A 5 VAL HG1% A 1 MET HBx 1.0 1.8 5.5 615 513 A 5 VAL HG1% A 1 MET HBy 1.0 1.8 5.5 616 514 A 38 VAL HG1% A 1 MET HGx 1.0 1.8 5.0 617 514 A 38 VAL HG1% A 1 MET HGy 1.0 1.8 5.0 618 515 A 38 VAL HG2% A 1 MET HGx 1.0 1.8 5.0 619 515 A 38 VAL HG2% A 1 MET HGy 1.0 1.8 5.0 620 516 A 34 VAL HG1% A 1 MET HE% 1.0 1.8 5.5 621 517 A 37 TYR HD% A 1 MET HE% 1.0 1.8 5.5 622 518 A 38 VAL HG2% A 1 MET HE% 1.0 1.8 5.0 623 519 A 5 VAL HG1% A 1 MET HE% 1.0 1.8 5.5 624 520 A 6 ILE HD1% A 1 MET HE% 1.0 1.8 5.0 625 521 A 78 PHE HD% A 1 MET HE% 1.0 1.8 5.0 626 522 A 78 PHE HE% A 1 MET HE% 1.0 1.8 5.0 627 523 A 34 VAL HG1% A 1 MET HGx 1.0 1.8 5.5 628 523 A 34 VAL HG1% A 1 MET HGy 1.0 1.8 5.5 629 524 A 5 VAL HG1% A 1 MET HGx 1.0 1.8 5.5 630 524 A 5 VAL HG1% A 1 MET HGy 1.0 1.8 5.5 631 525 A 38 VAL HB A 1 MET HGx 1.0 1.8 5.5 632 525 A 38 VAL HB A 1 MET HGy 1.0 1.8 5.5 633 526 A 5 VAL HB A 1 MET HGx 1.0 1.8 5.5 634 526 A 5 VAL HB A 1 MET HGy 1.0 1.8 5.5 635 527 A 5 VAL HG2% A 2 ASN HBx 1.0 1.8 5.5 636 527 A 5 VAL HG2% A 2 ASN HBy 1.0 1.8 5.5 637 528 A 5 VAL HB A 2 ASN HBx 1.0 1.8 5.5 638 528 A 5 VAL HB A 2 ASN HBy 1.0 1.8 5.5 639 529 A 81 LEU HD1% A 2 ASN HBx 1.0 1.8 5.5 640 529 A 81 LEU HD1% A 2 ASN HBy 1.0 1.8 5.5 641 530 A 2 ASN HD2y A 4 GLU HBx 1.0 1.8 5.0 642 530 A 2 ASN HD2x A 4 GLU HBx 1.0 1.8 5.0 643 530 A 4 GLU HBy A 2 ASN HD2x 1.0 1.8 5.0 644 530 A 2 ASN HD2y A 4 GLU HBy 1.0 1.8 5.0 645 531 A 5 VAL HG2% A 2 ASN HD2x 1.0 1.8 5.0 646 531 A 5 VAL HG2% A 2 ASN HD2y 1.0 1.8 5.0 647 532 A 81 LEU HD1% A 2 ASN HD2x 1.0 1.8 5.0 648 532 A 81 LEU HD1% A 2 ASN HD2y 1.0 1.8 5.0 649 533 A 84 VAL HG2% A 3 SER HBx 1.0 1.8 5.0 650 533 A 84 VAL HG2% A 3 SER HBy 1.0 1.8 5.0 651 534 A 84 VAL HG1% A 3 SER HBx 1.0 1.8 5.0 652 534 A 84 VAL HG1% A 3 SER HBy 1.0 1.8 5.0 653 535 A 24 ILE HD1% A 3 SER HBx 1.0 1.8 5.0 654 535 A 3 SER HBy A 24 ILE HD1% 1.0 1.8 5.0 655 536 A 80 THR HG2% A 3 SER HBx 1.0 1.8 5.5 656 536 A 80 THR HG2% A 3 SER HBy 1.0 1.8 5.5 657 537 A 84 VAL HB A 3 SER HBx 1.0 1.8 5.5 658 537 A 3 SER HBy A 84 VAL HB 1.0 1.8 5.5 659 538 A 5 VAL HG1% A 37 TYR HD% 1.0 1.8 5.0 660 539 A 5 VAL HG1% A 37 TYR HE% 1.0 1.8 5.0 661 540 A 5 VAL HG2% A 8 GLU HBx 1.0 1.8 5.5 662 540 A 5 VAL HG2% A 8 GLU HBy 1.0 1.8 5.5 663 541 A 5 VAL HG2% A 8 GLU HGx 1.0 1.8 5.5 664 541 A 5 VAL HG2% A 8 GLU HGy 1.0 1.8 5.5 665 542 A 6 ILE HB A 24 ILE HD1% 1.0 1.8 5.5 666 543 A 6 ILE HB A 86 VAL HG2% 1.0 1.8 5.5 667 544 A 6 ILE HD1% A 34 VAL HG1% 1.0 1.8 5.0 668 545 A 6 ILE HD1% A 38 VAL HG2% 1.0 1.8 5.0 669 546 A 6 ILE HD1% A 78 PHE HD% 1.0 1.8 5.5 670 547 A 6 ILE HD1% A 78 PHE HE% 1.0 1.8 5.0 671 548 A 6 ILE HD1% A 78 PHE HZ 1.0 1.8 5.0 672 549 A 6 ILE HD1% A 80 THR HG2% 1.0 1.8 5.0 673 550 A 6 ILE HD1% A 86 VAL HB 1.0 1.8 5.5 674 551 A 6 ILE HD1% A 86 VAL HG1% 1.0 1.8 5.0 675 552 A 6 ILE HD1% A 86 VAL HG2% 1.0 1.8 5.0 676 553 A 34 VAL HG1% A 6 ILE HG1x 1.0 1.8 5.5 677 553 A 6 ILE HG1y A 34 VAL HG1% 1.0 1.8 5.5 678 554 A 6 ILE HG2% A 10 LEU HD1% 1.0 1.8 5.0 679 555 A 6 ILE HG2% A 24 ILE HD1% 1.0 1.8 5.0 680 556 A 6 ILE HG2% A 34 VAL HG1% 1.0 1.8 5.0 681 557 A 6 ILE HG2% A 34 VAL HG2% 1.0 1.8 5.0 682 558 A 6 ILE HG2% A 78 PHE HE% 1.0 1.8 5.5 683 559 A 6 ILE HG2% A 78 PHE HZ 1.0 1.8 5.5 684 560 A 6 ILE HG2% A 86 VAL HG1% 1.0 1.8 5.0 685 561 A 6 ILE HG2% A 86 VAL HG2% 1.0 1.8 5.0 686 562 A 6 ILE HG2% A 9 PHE HD% 1.0 1.8 5.5 687 563 A 24 ILE HD1% A 7 LYS HDx 1.0 1.8 5.5 688 563 A 7 LYS HDy A 24 ILE HD1% 1.0 1.8 5.5 689 564 A 17 TYR HE% A 7 LYS HEx 1.0 1.8 5.5 690 564 A 17 TYR HE% A 7 LYS HEy 1.0 1.8 5.5 691 565 A 24 ILE HD1% A 7 LYS HEx 1.0 1.8 5.5 692 565 A 24 ILE HD1% A 7 LYS HEy 1.0 1.8 5.5 693 566 A 84 VAL HG2% A 7 LYS HEx 1.0 1.8 5.5 694 566 A 84 VAL HG2% A 7 LYS HEy 1.0 1.8 5.5 695 567 A 24 ILE HD1% A 7 LYS HGx 1.0 1.8 5.5 696 567 A 7 LYS HGy A 24 ILE HD1% 1.0 1.8 5.5 697 568 A 8 GLU HBy A 12 ASP HBx 1.0 1.8 5.5 698 568 A 12 ASP HBy A 8 GLU HBx 1.0 1.8 5.5 699 568 A 8 GLU HBy A 12 ASP HBy 1.0 1.8 5.5 700 568 A 8 GLU HBx A 12 ASP HBx 1.0 1.8 5.5 701 569 A 9 PHE HD% A 13 ILE HD1% 1.0 1.8 5.5 702 570 A 9 PHE HD% A 13 ILE HG1x 1.0 1.8 5.5 703 570 A 9 PHE HD% A 13 ILE HG1y 1.0 1.8 5.5 704 571 A 9 PHE HD% A 13 ILE HG2% 1.0 1.8 5.5 705 572 A 9 PHE HD% A 30 VAL HG1% 1.0 1.8 5.5 706 573 A 9 PHE HD% A 34 VAL HG2% 1.0 1.8 5.0 707 574 A 13 ILE HD1% A 9 PHE HE% 1.0 1.8 5.5 708 575 A 9 PHE HE% A 13 ILE HG1x 1.0 1.8 5.5 709 575 A 13 ILE HG1y A 9 PHE HE% 1.0 1.8 5.5 710 576 A 13 ILE HG2% A 9 PHE HE% 1.0 1.8 5.5 711 577 A 30 VAL HG1% A 9 PHE HE% 1.0 1.8 5.5 712 578 A 9 PHE HE% A 33 GLU HBx 1.0 1.8 5.5 713 578 A 33 GLU HBy A 9 PHE HE% 1.0 1.8 5.5 714 579 A 34 VAL HG2% A 9 PHE HE% 1.0 1.8 5.0 715 580 A 13 ILE HD1% A 9 PHE HZ 1.0 1.8 5.5 716 581 A 13 ILE HG2% A 9 PHE HZ 1.0 1.8 5.5 717 582 A 9 PHE HZ A 33 GLU HBx 1.0 1.8 5.0 718 582 A 33 GLU HBy A 9 PHE HZ 1.0 1.8 5.0 719 583 A 34 VAL HG2% A 9 PHE HZ 1.0 1.8 5.5 720 584 A 17 TYR HD% A 10 LEU HBx 1.0 1.8 5.5 721 584 A 17 TYR HD% A 10 LEU HBy 1.0 1.8 5.5 722 585 A 13 ILE HD1% A 10 LEU HBx 1.0 1.8 5.5 723 585 A 13 ILE HD1% A 10 LEU HBy 1.0 1.8 5.5 724 586 A 10 LEU HBx A 13 ILE HG1x 1.0 1.8 5.5 725 586 A 10 LEU HBy A 13 ILE HG1x 1.0 1.8 5.5 726 586 A 13 ILE HG1y A 10 LEU HBx 1.0 1.8 5.5 727 586 A 13 ILE HG1y A 10 LEU HBy 1.0 1.8 5.5 728 587 A 26 LEU HD2% A 10 LEU HBx 1.0 1.8 5.5 729 587 A 26 LEU HD2% A 10 LEU HBy 1.0 1.8 5.5 730 588 A 30 VAL HG1% A 10 LEU HBx 1.0 1.8 5.5 731 588 A 30 VAL HG1% A 10 LEU HBy 1.0 1.8 5.5 732 589 A 10 LEU HD1% A 17 TYR HBx 1.0 1.8 5.0 733 589 A 10 LEU HD1% A 17 TYR HBy 1.0 1.8 5.0 734 590 A 10 LEU HD1% A 17 TYR HD% 1.0 1.8 5.0 735 591 A 10 LEU HD1% A 17 TYR HE% 1.0 1.8 5.0 736 592 A 10 LEU HD1% A 24 ILE HG2% 1.0 1.8 5.0 737 593 A 10 LEU HD1% A 26 LEU HD1% 1.0 1.8 5.0 738 594 A 10 LEU HD1% A 26 LEU HD2% 1.0 1.8 5.0 739 595 A 10 LEU HD2% A 15 GLU HBx 1.0 1.8 5.0 740 595 A 10 LEU HD2% A 15 GLU HBy 1.0 1.8 5.0 741 596 A 10 LEU HD2% A 15 GLU HGx 1.0 1.8 5.0 742 596 A 10 LEU HD2% A 15 GLU HGy 1.0 1.8 5.0 743 597 A 10 LEU HD2% A 17 TYR HBx 1.0 1.8 5.5 744 597 A 10 LEU HD2% A 17 TYR HBy 1.0 1.8 5.5 745 598 A 10 LEU HD2% A 30 VAL HG1% 1.0 1.8 5.0 746 599 A 10 LEU HD2% A 34 VAL HG2% 1.0 1.8 5.0 747 600 A 30 VAL HG1% A 10 LEU HG 1.0 1.8 5.5 748 601 A 30 VAL HG2% A 15 GLU HBx 1.0 1.8 5.5 749 601 A 30 VAL HG2% A 15 GLU HBy 1.0 1.8 5.5 750 602 A 13 ILE HD1% A 15 GLU HBx 1.0 1.8 5.0 751 602 A 13 ILE HD1% A 15 GLU HBy 1.0 1.8 5.0 752 603 A 13 ILE HD1% A 15 GLU HGx 1.0 1.8 5.0 753 603 A 13 ILE HD1% A 15 GLU HGy 1.0 1.8 5.0 754 604 A 30 VAL HB A 13 ILE HD1% 1.0 1.8 5.5 755 605 A 13 ILE HD1% A 30 VAL HG1% 1.0 1.8 5.0 756 606 A 13 ILE HD1% A 30 VAL HG2% 1.0 1.8 5.0 757 607 A 30 VAL HG2% A 15 GLU HGx 1.0 1.8 5.0 758 607 A 30 VAL HG2% A 15 GLU HGy 1.0 1.8 5.0 759 608 A 24 ILE HG2% A 17 TYR HBx 1.0 1.8 5.0 760 608 A 24 ILE HG2% A 17 TYR HBy 1.0 1.8 5.0 761 609 A 26 LEU HD2% A 17 TYR HBx 1.0 1.8 5.0 762 609 A 26 LEU HD2% A 17 TYR HBy 1.0 1.8 5.0 763 610 A 17 TYR HD% A 19 GLU HBx 1.0 1.8 5.5 764 610 A 17 TYR HD% A 19 GLU HBy 1.0 1.8 5.5 765 611 A 17 TYR HD% A 24 ILE HD1% 1.0 1.8 5.5 766 612 A 17 TYR HD% A 24 ILE HG1x 1.0 1.8 5.5 767 612 A 17 TYR HD% A 24 ILE HG1y 1.0 1.8 5.5 768 613 A 17 TYR HD% A 24 ILE HG2% 1.0 1.8 5.0 769 614 A 17 TYR HD% A 26 LEU HD2% 1.0 1.8 5.0 770 615 A 17 TYR HE% A 19 GLU HBx 1.0 1.8 5.5 771 615 A 17 TYR HE% A 19 GLU HBy 1.0 1.8 5.5 772 616 A 17 TYR HE% A 19 GLU HGx 1.0 1.8 5.5 773 616 A 19 GLU HGy A 17 TYR HE% 1.0 1.8 5.5 774 617 A 17 TYR HE% A 24 ILE HD1% 1.0 1.8 5.5 775 618 A 24 ILE HG2% A 17 TYR HE% 1.0 1.8 5.0 776 619 A 18 ILE HB A 24 ILE HG2% 1.0 1.8 5.5 777 620 A 18 ILE HB A 25 HIS HBx 1.0 1.8 5.0 778 620 A 18 ILE HB A 25 HIS HBy 1.0 1.8 5.0 779 621 A 18 ILE HD1% A 25 HIS HBy 1.0 1.8 5.5 780 622 A 18 ILE HD1% A 25 HIS HBx 1.0 1.8 5.5 781 623 A 18 ILE HG2% A 20 LEU HD1% 1.0 1.8 5.0 782 624 A 18 ILE HG2% A 25 HIS HBx 1.0 1.8 5.0 783 624 A 18 ILE HG2% A 25 HIS HBy 1.0 1.8 5.0 784 625 A 18 ILE HG2% A 25 HIS HD2 1.0 1.8 5.0 785 626 A 24 ILE HD1% A 19 GLU HGx 1.0 1.8 5.5 786 626 A 19 GLU HGy A 24 ILE HD1% 1.0 1.8 5.5 787 627 A 19 GLU HGy A 24 ILE HG1x 1.0 1.8 5.5 788 627 A 19 GLU HGx A 24 ILE HG1x 1.0 1.8 5.5 789 627 A 24 ILE HG1y A 19 GLU HGx 1.0 1.8 5.5 790 627 A 19 GLU HGy A 24 ILE HG1y 1.0 1.8 5.5 791 628 A 20 LEU HBy A 23 GLU HBy 1.0 1.8 5.5 792 628 A 23 GLU HBx A 20 LEU HBy 1.0 1.8 5.5 793 628 A 23 GLU HBx A 20 LEU HBx 1.0 1.8 5.5 794 628 A 20 LEU HBx A 23 GLU HBy 1.0 1.8 5.5 795 629 A 25 HIS HD2 A 20 LEU HBy 1.0 1.8 5.0 796 629 A 25 HIS HD2 A 20 LEU HBx 1.0 1.8 5.0 797 630 A 20 LEU HD1% A 23 GLU HBy 1.0 1.8 5.5 798 630 A 20 LEU HD1% A 23 GLU HBx 1.0 1.8 5.5 799 631 A 20 LEU HD1% A 25 HIS HD2 1.0 1.8 5.0 800 632 A 84 VAL HG2% A 22 ASN HBx 1.0 1.8 5.0 801 632 A 84 VAL HG2% A 22 ASN HBy 1.0 1.8 5.0 802 633 A 22 ASN HBy A 83 ASN HBx 1.0 1.8 5.5 803 633 A 22 ASN HBx A 83 ASN HBx 1.0 1.8 5.5 804 633 A 83 ASN HBy A 22 ASN HBx 1.0 1.8 5.5 805 633 A 22 ASN HBy A 83 ASN HBy 1.0 1.8 5.5 806 634 A 25 HIS HD2 A 23 GLU HBy 1.0 1.8 5.0 807 635 A 23 GLU HBx A 25 HIS HD2 1.0 1.8 5.0 808 636 A 87 VAL HG2% A 23 GLU HBy 1.0 1.8 5.0 809 636 A 87 VAL HG2% A 23 GLU HBx 1.0 1.8 5.0 810 637 A 23 GLU HGx A 85 ARG HBy 1.0 1.8 5.5 811 637 A 23 GLU HGy A 85 ARG HBy 1.0 1.8 5.5 812 637 A 85 ARG HBx A 23 GLU HGx 1.0 1.8 5.5 813 637 A 23 GLU HGy A 85 ARG HBx 1.0 1.8 5.5 814 638 A 87 VAL HG2% A 23 GLU HGx 1.0 1.8 5.5 815 638 A 23 GLU HGy A 87 VAL HG2% 1.0 1.8 5.5 816 639 A 24 ILE HB A 26 LEU HD2% 1.0 1.8 5.5 817 640 A 24 ILE HB A 86 VAL HG1% 1.0 1.8 5.5 818 641 A 24 ILE HB A 86 VAL HG2% 1.0 1.8 5.5 819 642 A 84 VAL HB A 24 ILE HD1% 1.0 1.8 5.5 820 643 A 84 VAL HG1% A 24 ILE HD1% 1.0 1.8 5.0 821 644 A 86 VAL HG2% A 24 ILE HD1% 1.0 1.8 5.0 822 645 A 84 VAL HG1% A 24 ILE HG1x 1.0 1.8 5.5 823 645 A 84 VAL HG1% A 24 ILE HG1y 1.0 1.8 5.5 824 646 A 24 ILE HG2% A 26 LEU HBx 1.0 1.8 5.5 825 646 A 26 LEU HBy A 24 ILE HG2% 1.0 1.8 5.5 826 647 A 24 ILE HG2% A 26 LEU HD2% 1.0 1.8 5.0 827 648 A 24 ILE HG2% A 26 LEU HG 1.0 1.8 5.5 828 649 A 24 ILE HG2% A 86 VAL HG1% 1.0 1.8 5.0 829 650 A 24 ILE HG2% A 86 VAL HG2% 1.0 1.8 5.0 830 651 A 25 HIS HD2 A 87 VAL HB 1.0 1.8 5.0 831 652 A 87 VAL HG2% A 25 HIS HD2 1.0 1.8 5.0 832 653 A 87 VAL HG1% A 25 HIS HE1 1.0 1.8 5.5 833 654 A 26 LEU HBx A 31 PHE HBx 1.0 1.8 5.5 834 654 A 26 LEU HBy A 31 PHE HBx 1.0 1.8 5.5 835 654 A 31 PHE HBy A 26 LEU HBx 1.0 1.8 5.5 836 654 A 26 LEU HBy A 31 PHE HBy 1.0 1.8 5.5 837 655 A 31 PHE HD% A 26 LEU HBx 1.0 1.8 5.5 838 655 A 26 LEU HBy A 31 PHE HD% 1.0 1.8 5.5 839 656 A 86 VAL HG1% A 26 LEU HBx 1.0 1.8 5.5 840 656 A 26 LEU HBy A 86 VAL HG1% 1.0 1.8 5.5 841 657 A 88 THR HB A 26 LEU HBx 1.0 1.8 5.5 842 657 A 26 LEU HBy A 88 THR HB 1.0 1.8 5.5 843 658 A 88 THR HG2% A 26 LEU HBx 1.0 1.8 5.5 844 658 A 26 LEU HBy A 88 THR HG2% 1.0 1.8 5.5 845 659 A 30 VAL HB A 26 LEU HD1% 1.0 1.8 5.5 846 660 A 26 LEU HD1% A 30 VAL HG1% 1.0 1.8 5.0 847 661 A 26 LEU HD1% A 31 PHE HBx 1.0 1.8 5.5 848 661 A 26 LEU HD1% A 31 PHE HBy 1.0 1.8 5.5 849 662 A 26 LEU HD1% A 31 PHE HD% 1.0 1.8 5.0 850 663 A 26 LEU HD1% A 34 VAL HG1% 1.0 1.8 5.0 851 664 A 26 LEU HD1% A 34 VAL HG2% 1.0 1.8 5.0 852 665 A 26 LEU HD1% A 86 VAL HG1% 1.0 1.8 5.0 853 666 A 30 VAL HB A 26 LEU HD2% 1.0 1.8 5.5 854 667 A 34 VAL HG2% A 26 LEU HG 1.0 1.8 5.5 855 668 A 86 VAL HG1% A 26 LEU HG 1.0 1.8 5.5 856 669 A 30 VAL HG2% A 27 LYS HBx 1.0 1.8 5.0 857 669 A 30 VAL HG2% A 27 LYS HBy 1.0 1.8 5.0 858 670 A 30 VAL HG2% A 27 LYS HDx 1.0 1.8 5.0 859 670 A 30 VAL HG2% A 27 LYS HDy 1.0 1.8 5.0 860 671 A 30 VAL HG2% A 27 LYS HGx 1.0 1.8 5.0 861 671 A 30 VAL HG2% A 27 LYS HGy 1.0 1.8 5.0 862 672 A 30 VAL HB A 27 LYS HDx 1.0 1.8 5.5 863 672 A 30 VAL HB A 27 LYS HDy 1.0 1.8 5.5 864 673 A 30 VAL HG2% A 27 LYS HEx 1.0 1.8 5.0 865 673 A 30 VAL HG2% A 27 LYS HEy 1.0 1.8 5.0 866 674 A 88 THR HG2% A 28 PRO HBx 1.0 1.8 5.0 867 674 A 88 THR HG2% A 28 PRO HBy 1.0 1.8 5.0 868 675 A 28 PRO HBy A 89 ASP HBx 1.0 1.8 5.0 869 675 A 28 PRO HBx A 89 ASP HBx 1.0 1.8 5.0 870 675 A 89 ASP HBy A 28 PRO HBx 1.0 1.8 5.0 871 675 A 89 ASP HBy A 28 PRO HBy 1.0 1.8 5.0 872 676 A 96 ILE HD1% A 28 PRO HBx 1.0 1.8 5.5 873 676 A 96 ILE HD1% A 28 PRO HBy 1.0 1.8 5.5 874 677 A 28 PRO HGy A 89 ASP HBx 1.0 1.8 5.5 875 677 A 89 ASP HBy A 28 PRO HGx 1.0 1.8 5.5 876 677 A 28 PRO HGy A 89 ASP HBy 1.0 1.8 5.5 877 677 A 28 PRO HGx A 89 ASP HBx 1.0 1.8 5.5 878 678 A 28 PRO HGy A 92 GLU HBy 1.0 1.8 5.0 879 678 A 28 PRO HGx A 92 GLU HBy 1.0 1.8 5.0 880 678 A 92 GLU HBx A 28 PRO HGx 1.0 1.8 5.0 881 678 A 28 PRO HGy A 92 GLU HBx 1.0 1.8 5.0 882 679 A 96 ILE HD1% A 28 PRO HGx 1.0 1.8 5.5 883 679 A 28 PRO HGy A 96 ILE HD1% 1.0 1.8 5.5 884 680 A 96 ILE HD1% A 29 GLU HBy 1.0 1.8 5.5 885 681 A 96 ILE HD1% A 29 GLU HBx 1.0 1.8 5.5 886 682 A 96 ILE HG2% A 29 GLU HBy 1.0 1.8 5.5 887 682 A 96 ILE HG2% A 29 GLU HBx 1.0 1.8 5.5 888 683 A 96 ILE HD1% A 29 GLU HGy 1.0 1.8 5.5 889 684 A 29 GLU HGx A 96 ILE HD1% 1.0 1.8 5.5 890 685 A 96 ILE HG2% A 29 GLU HGy 1.0 1.8 5.5 891 685 A 29 GLU HGx A 96 ILE HG2% 1.0 1.8 5.5 892 686 A 30 VAL HG1% A 33 GLU HBx 1.0 1.8 5.5 893 686 A 30 VAL HG1% A 33 GLU HBy 1.0 1.8 5.5 894 687 A 30 VAL HG1% A 33 GLU HGx 1.0 1.8 5.5 895 687 A 30 VAL HG1% A 33 GLU HGy 1.0 1.8 5.5 896 688 A 88 THR HG2% A 31 PHE HBx 1.0 1.8 5.0 897 688 A 88 THR HG2% A 31 PHE HBy 1.0 1.8 5.0 898 689 A 88 THR HB A 31 PHE HBx 1.0 1.8 5.5 899 689 A 88 THR HB A 31 PHE HBy 1.0 1.8 5.5 900 690 A 31 PHE HD% A 43 LEU HD2% 1.0 1.8 5.0 901 691 A 31 PHE HD% A 76 VAL HG1% 1.0 1.8 5.5 902 692 A 31 PHE HD% A 86 VAL HB 1.0 1.8 5.5 903 693 A 31 PHE HD% A 86 VAL HG1% 1.0 1.8 5.0 904 694 A 88 THR HB A 31 PHE HD% 1.0 1.8 5.5 905 695 A 31 PHE HD% A 88 THR HG2% 1.0 1.8 5.0 906 696 A 31 PHE HD% A 93 PHE HD% 1.0 1.8 5.5 907 697 A 31 PHE HD% A 93 PHE HE% 1.0 1.8 5.5 908 698 A 93 PHE HE% A 32 TYR HBx 1.0 1.8 5.5 909 698 A 32 TYR HBy A 93 PHE HE% 1.0 1.8 5.5 910 699 A 93 PHE HD% A 32 TYR HBx 1.0 1.8 5.5 911 699 A 93 PHE HD% A 32 TYR HBy 1.0 1.8 5.5 912 700 A 96 ILE HD1% A 32 TYR HBx 1.0 1.8 5.5 913 700 A 32 TYR HBy A 96 ILE HD1% 1.0 1.8 5.5 914 701 A 96 ILE HG2% A 32 TYR HBx 1.0 1.8 5.5 915 701 A 96 ILE HG2% A 32 TYR HBy 1.0 1.8 5.5 916 702 A 32 TYR HD% A 36 LYS HDx 1.0 1.8 5.5 917 702 A 32 TYR HD% A 36 LYS HDy 1.0 1.8 5.5 918 703 A 32 TYR HD% A 36 LYS HGy 1.0 1.8 5.5 919 703 A 36 LYS HGx A 32 TYR HD% 1.0 1.8 5.5 920 704 A 93 PHE HD% A 32 TYR HD% 1.0 1.8 5.5 921 705 A 93 PHE HE% A 32 TYR HD% 1.0 1.8 5.5 922 706 A 96 ILE HB A 32 TYR HD% 1.0 1.8 5.5 923 707 A 96 ILE HG2% A 32 TYR HD% 1.0 1.8 5.5 924 708 A 97 LEU HD2% A 32 TYR HD% 1.0 1.8 5.0 925 709 A 32 TYR HE% A 100 ARG HBx 1.0 1.8 5.5 926 709 A 100 ARG HBy A 32 TYR HE% 1.0 1.8 5.5 927 710 A 32 TYR HE% A 100 ARG HDx 1.0 1.8 5.5 928 710 A 32 TYR HE% A 100 ARG HDy 1.0 1.8 5.5 929 711 A 35 TRP HE3 A 32 TYR HE% 1.0 1.8 5.5 930 712 A 32 TYR HE% A 36 LYS HDx 1.0 1.8 5.0 931 712 A 32 TYR HE% A 36 LYS HDy 1.0 1.8 5.0 932 713 A 32 TYR HE% A 36 LYS HEx 1.0 1.8 5.0 933 713 A 32 TYR HE% A 36 LYS HEy 1.0 1.8 5.0 934 714 A 32 TYR HE% A 36 LYS HGy 1.0 1.8 5.0 935 714 A 36 LYS HGx A 32 TYR HE% 1.0 1.8 5.0 936 715 A 96 ILE HG2% A 32 TYR HE% 1.0 1.8 5.5 937 716 A 97 LEU HD1% A 32 TYR HE% 1.0 1.8 5.0 938 717 A 97 LEU HD2% A 32 TYR HE% 1.0 1.8 5.0 939 718 A 34 VAL HB A 86 VAL HG1% 1.0 1.8 5.5 940 719 A 34 VAL HG1% A 38 VAL HG2% 1.0 1.8 5.0 941 720 A 34 VAL HG1% A 78 PHE HE% 1.0 1.8 5.0 942 721 A 34 VAL HG1% A 78 PHE HZ 1.0 1.8 5.0 943 722 A 34 VAL HG1% A 86 VAL HG1% 1.0 1.8 5.0 944 723 A 34 VAL HG2% A 37 TYR HBy 1.0 1.8 5.5 945 723 A 34 VAL HG2% A 37 TYR HBx 1.0 1.8 5.5 946 724 A 34 VAL HG2% A 37 TYR HD% 1.0 1.8 5.5 947 725 A 34 VAL HG2% A 78 PHE HZ 1.0 1.8 5.5 948 726 A 34 VAL HG2% A 86 VAL HG1% 1.0 1.8 5.5 949 727 A 78 PHE HE% A 35 TRP HBx 1.0 1.8 5.5 950 727 A 78 PHE HE% A 35 TRP HBy 1.0 1.8 5.5 951 728 A 38 VAL HG2% A 35 TRP HD1 1.0 1.8 5.0 952 729 A 35 TRP HD1 A 41 PRO HDy 1.0 1.8 5.0 953 730 A 35 TRP HD1 A 41 PRO HDx 1.0 1.8 5.0 954 731 A 35 TRP HD1 A 41 PRO HGx 1.0 1.8 5.0 955 731 A 35 TRP HD1 A 41 PRO HGy 1.0 1.8 5.0 956 732 A 43 LEU HD2% A 35 TRP HD1 1.0 1.8 5.0 957 733 A 78 PHE HD% A 35 TRP HD1 1.0 1.8 5.5 958 734 A 35 TRP HD1 A 78 PHE HE% 1.0 1.8 5.5 959 735 A 41 PRO HGy A 35 TRP HE1 1.0 1.8 5.5 960 735 A 35 TRP HE1 A 41 PRO HGx 1.0 1.8 5.5 961 736 A 41 PRO HDy A 35 TRP HE1 1.0 1.8 5.5 962 736 A 35 TRP HE1 A 41 PRO HDx 1.0 1.8 5.5 963 737 A 43 LEU HD2% A 35 TRP HE1 1.0 1.8 5.0 964 738 A 43 LEU HD1% A 35 TRP HE1 1.0 1.8 5.0 965 739 A 43 LEU HG A 35 TRP HE1 1.0 1.8 5.0 966 740 A 35 TRP HE3 A 93 PHE HZ 1.0 1.8 5.0 967 741 A 35 TRP HE3 A 93 PHE HE% 1.0 1.8 5.5 968 742 A 35 TRP HE3 A 97 LEU HD2% 1.0 1.8 5.0 969 743 A 102 THR HG2% A 35 TRP HH2 1.0 1.8 5.0 970 744 A 35 TRP HH2 A 40 GLU HBx 1.0 1.8 5.5 971 744 A 35 TRP HH2 A 40 GLU HBy 1.0 1.8 5.5 972 745 A 97 LEU HD1% A 35 TRP HH2 1.0 1.8 5.0 973 746 A 97 LEU HD2% A 35 TRP HH2 1.0 1.8 5.0 974 747 A 35 TRP HZ2 A 40 GLU HBx 1.0 1.8 5.0 975 747 A 40 GLU HBy A 35 TRP HZ2 1.0 1.8 5.0 976 748 A 43 LEU HD2% A 35 TRP HZ2 1.0 1.8 5.5 977 749 A 43 LEU HD1% A 35 TRP HZ2 1.0 1.8 5.5 978 750 A 102 THR HG2% A 35 TRP HZ3 1.0 1.8 5.0 979 751 A 97 LEU HD1% A 35 TRP HZ3 1.0 1.8 5.0 980 752 A 97 LEU HD2% A 35 TRP HZ3 1.0 1.8 5.0 981 753 A 38 VAL HG2% A 41 PRO HGx 1.0 1.8 5.0 982 753 A 38 VAL HG2% A 41 PRO HGy 1.0 1.8 5.0 983 754 A 38 VAL HG2% A 41 PRO HDx 1.0 1.8 5.0 984 754 A 38 VAL HG2% A 41 PRO HDy 1.0 1.8 5.0 985 755 A 38 VAL HG2% A 78 PHE HD% 1.0 1.8 5.5 986 756 A 38 VAL HG2% A 78 PHE HE% 1.0 1.8 5.0 987 757 A 38 VAL HG2% A 78 PHE HZ 1.0 1.8 5.0 988 758 A 41 PRO HBy A 78 PHE HBy 1.0 1.8 5.5 989 758 A 41 PRO HBx A 78 PHE HBy 1.0 1.8 5.5 990 758 A 78 PHE HBx A 41 PRO HBx 1.0 1.8 5.5 991 758 A 41 PRO HBy A 78 PHE HBx 1.0 1.8 5.5 992 759 A 41 PRO HGy A 78 PHE HBy 1.0 1.8 5.0 993 759 A 41 PRO HGx A 78 PHE HBy 1.0 1.8 5.0 994 759 A 78 PHE HBx A 41 PRO HGx 1.0 1.8 5.0 995 759 A 41 PRO HGy A 78 PHE HBx 1.0 1.8 5.0 996 760 A 78 PHE HD% A 41 PRO HGx 1.0 1.8 5.5 997 760 A 78 PHE HD% A 41 PRO HGy 1.0 1.8 5.5 998 761 A 76 VAL HG2% A 43 LEU HBx 1.0 1.8 5.5 999 761 A 76 VAL HG2% A 43 LEU HBy 1.0 1.8 5.5 1000 762 A 43 LEU HD2% A 76 VAL HG1% 1.0 1.8 5.5 1001 763 A 43 LEU HD2% A 76 VAL HG2% 1.0 1.8 5.0 1002 764 A 43 LEU HD2% A 78 PHE HBy 1.0 1.8 5.0 1003 764 A 43 LEU HD2% A 78 PHE HBx 1.0 1.8 5.0 1004 765 A 43 LEU HD2% A 78 PHE HD% 1.0 1.8 5.0 1005 766 A 43 LEU HD2% A 78 PHE HE% 1.0 1.8 5.0 1006 767 A 43 LEU HD1% A 76 VAL HG1% 1.0 1.8 5.0 1007 768 A 43 LEU HD1% A 76 VAL HG2% 1.0 1.8 5.0 1008 769 A 43 LEU HD1% A 93 PHE HE% 1.0 1.8 5.0 1009 770 A 43 LEU HD1% A 93 PHE HZ 1.0 1.8 5.0 1010 771 A 43 LEU HG A 76 VAL HG2% 1.0 1.8 5.5 1011 772 A 77 TYR HE% A 44 LYS HBy 1.0 1.8 5.5 1012 773 A 77 TYR HE% A 44 LYS HBx 1.0 1.8 5.5 1013 774 A 77 TYR HE% A 44 LYS HBx 1.0 1.8 5.0 1014 774 A 77 TYR HE% A 44 LYS HBy 1.0 1.8 5.0 1015 775 A 77 TYR HE% A 44 LYS HDy 1.0 1.8 5.5 1016 776 A 77 TYR HE% A 44 LYS HDx 1.0 1.8 5.5 1017 777 A 77 TYR HE% A 44 LYS HDx 1.0 1.8 5.0 1018 777 A 77 TYR HE% A 44 LYS HDy 1.0 1.8 5.0 1019 778 A 77 TYR HE% A 44 LYS HEx 1.0 1.8 5.0 1020 778 A 77 TYR HE% A 44 LYS HEy 1.0 1.8 5.0 1021 779 A 45 THR HB A 74 LYS HDx 1.0 1.8 5.0 1022 779 A 45 THR HB A 74 LYS HDy 1.0 1.8 5.0 1023 780 A 45 THR HB A 74 LYS HGx 1.0 1.8 5.0 1024 780 A 45 THR HB A 74 LYS HGy 1.0 1.8 5.0 1025 781 A 45 THR HB A 74 LYS HEx 1.0 1.8 5.0 1026 781 A 45 THR HB A 74 LYS HEy 1.0 1.8 5.0 1027 782 A 45 THR HB A 76 VAL HG2% 1.0 1.8 5.0 1028 783 A 76 VAL HB A 45 THR HG2% 1.0 1.8 5.5 1029 784 A 45 THR HG2% A 90 TYR HBx 1.0 1.8 5.5 1030 784 A 45 THR HG2% A 90 TYR HBy 1.0 1.8 5.5 1031 785 A 45 THR HG2% A 90 TYR HD% 1.0 1.8 5.0 1032 786 A 45 THR HG2% A 90 TYR HE% 1.0 1.8 5.0 1033 787 A 77 TYR HE% A 46 TYR HBx 1.0 1.8 5.5 1034 787 A 77 TYR HE% A 46 TYR HBy 1.0 1.8 5.5 1035 788 A 46 TYR HD% A 48 ILE HD1% 1.0 1.8 5.5 1036 789 A 46 TYR HD% A 48 ILE HG2% 1.0 1.8 5.5 1037 790 A 46 TYR HD% A 75 LYS HBx 1.0 1.8 5.5 1038 790 A 46 TYR HD% A 75 LYS HBy 1.0 1.8 5.5 1039 791 A 46 TYR HD% A 77 TYR HD% 1.0 1.8 5.5 1040 792 A 46 TYR HD% A 77 TYR HE% 1.0 1.8 5.5 1041 793 A 48 ILE HB A 46 TYR HE% 1.0 1.8 5.5 1042 794 A 48 ILE HD1% A 46 TYR HE% 1.0 1.8 5.5 1043 795 A 46 TYR HE% A 48 ILE HG1x 1.0 1.8 5.5 1044 795 A 48 ILE HG1y A 46 TYR HE% 1.0 1.8 5.5 1045 796 A 48 ILE HG2% A 46 TYR HE% 1.0 1.8 5.5 1046 797 A 77 TYR HD% A 46 TYR HE% 1.0 1.8 5.5 1047 798 A 87 VAL HG1% A 46 TYR HE% 1.0 1.8 5.0 1048 799 A 87 VAL HG2% A 46 TYR HE% 1.0 1.8 5.0 1049 800 A 47 VAL HG1% A 72 LYS HBx 1.0 1.8 5.0 1050 800 A 47 VAL HG1% A 72 LYS HBy 1.0 1.8 5.0 1051 801 A 47 VAL HG1% A 72 LYS HDx 1.0 1.8 5.0 1052 801 A 47 VAL HG1% A 72 LYS HDy 1.0 1.8 5.0 1053 802 A 47 VAL HG1% A 72 LYS HGy 1.0 1.8 5.0 1054 802 A 47 VAL HG1% A 72 LYS HGx 1.0 1.8 5.0 1055 803 A 47 VAL HG1% A 72 LYS HGx 1.0 1.8 5.5 1056 804 A 47 VAL HG2% A 74 LYS HBx 1.0 1.8 5.5 1057 804 A 47 VAL HG2% A 74 LYS HBy 1.0 1.8 5.5 1058 805 A 47 VAL HG2% A 74 LYS HDx 1.0 1.8 5.5 1059 805 A 47 VAL HG2% A 74 LYS HDy 1.0 1.8 5.5 1060 806 A 47 VAL HG2% A 74 LYS HEx 1.0 1.8 5.5 1061 806 A 47 VAL HG2% A 74 LYS HEy 1.0 1.8 5.5 1062 807 A 47 VAL HG2% A 74 LYS HGx 1.0 1.8 5.5 1063 807 A 47 VAL HG2% A 74 LYS HGy 1.0 1.8 5.5 1064 808 A 48 ILE HD1% A 75 LYS HBx 1.0 1.8 5.5 1065 808 A 75 LYS HBy A 48 ILE HD1% 1.0 1.8 5.5 1066 809 A 48 ILE HD1% A 75 LYS HEx 1.0 1.8 5.5 1067 809 A 48 ILE HD1% A 75 LYS HEy 1.0 1.8 5.5 1068 810 A 48 ILE HG2% A 75 LYS HBx 1.0 1.8 5.5 1069 810 A 48 ILE HG2% A 75 LYS HBy 1.0 1.8 5.5 1070 811 A 74 LYS HBy A 90 TYR HBx 1.0 1.8 5.0 1071 811 A 74 LYS HBx A 90 TYR HBx 1.0 1.8 5.0 1072 811 A 90 TYR HBy A 74 LYS HBx 1.0 1.8 5.0 1073 811 A 90 TYR HBy A 74 LYS HBy 1.0 1.8 5.0 1074 812 A 90 TYR HD% A 74 LYS HBx 1.0 1.8 5.0 1075 812 A 90 TYR HD% A 74 LYS HBy 1.0 1.8 5.0 1076 813 A 90 TYR HE% A 74 LYS HDx 1.0 1.8 5.5 1077 813 A 74 LYS HDy A 90 TYR HE% 1.0 1.8 5.5 1078 814 A 90 TYR HD% A 74 LYS HEx 1.0 1.8 5.5 1079 814 A 90 TYR HD% A 74 LYS HEy 1.0 1.8 5.5 1080 815 A 90 TYR HE% A 74 LYS HEx 1.0 1.8 5.5 1081 815 A 74 LYS HEy A 90 TYR HE% 1.0 1.8 5.5 1082 816 A 74 LYS HGx A 90 TYR HBx 1.0 1.8 5.0 1083 816 A 74 LYS HGy A 90 TYR HBx 1.0 1.8 5.0 1084 816 A 90 TYR HBy A 74 LYS HGx 1.0 1.8 5.0 1085 816 A 74 LYS HGy A 90 TYR HBy 1.0 1.8 5.0 1086 817 A 87 VAL HG1% A 75 LYS HBx 1.0 1.8 5.0 1087 817 A 87 VAL HG1% A 75 LYS HBy 1.0 1.8 5.0 1088 818 A 87 VAL HG1% A 75 LYS HDx 1.0 1.8 5.0 1089 818 A 75 LYS HDy A 87 VAL HG1% 1.0 1.8 5.0 1090 819 A 76 VAL HB A 90 TYR HBx 1.0 1.8 5.0 1091 819 A 76 VAL HB A 90 TYR HBy 1.0 1.8 5.0 1092 820 A 76 VAL HB A 90 TYR HD% 1.0 1.8 5.0 1093 821 A 76 VAL HG1% A 88 THR HG2% 1.0 1.8 5.0 1094 822 A 76 VAL HG1% A 90 TYR HBx 1.0 1.8 5.0 1095 822 A 76 VAL HG1% A 90 TYR HBy 1.0 1.8 5.0 1096 823 A 76 VAL HG1% A 90 TYR HD% 1.0 1.8 5.0 1097 824 A 76 VAL HG1% A 93 PHE HBx 1.0 1.8 5.0 1098 824 A 93 PHE HBy A 76 VAL HG1% 1.0 1.8 5.0 1099 825 A 76 VAL HG1% A 93 PHE HD% 1.0 1.8 5.5 1100 826 A 76 VAL HG1% A 93 PHE HE% 1.0 1.8 5.5 1101 827 A 76 VAL HG2% A 88 THR HG2% 1.0 1.8 5.5 1102 828 A 76 VAL HG2% A 90 TYR HD% 1.0 1.8 5.0 1103 829 A 76 VAL HG2% A 90 TYR HE% 1.0 1.8 5.0 1104 830 A 76 VAL HG2% A 93 PHE HD% 1.0 1.8 5.5 1105 831 A 76 VAL HG2% A 93 PHE HE% 1.0 1.8 5.5 1106 832 A 87 VAL HG1% A 77 TYR HBx 1.0 1.8 5.5 1107 832 A 87 VAL HG1% A 77 TYR HBy 1.0 1.8 5.5 1108 833 A 87 VAL HG2% A 77 TYR HBx 1.0 1.8 5.0 1109 833 A 87 VAL HG2% A 77 TYR HBy 1.0 1.8 5.0 1110 834 A 77 TYR HD% A 79 GLU HGx 1.0 1.8 5.5 1111 834 A 77 TYR HD% A 79 GLU HGy 1.0 1.8 5.5 1112 835 A 77 TYR HD% A 85 ARG HBy 1.0 1.8 5.0 1113 835 A 77 TYR HD% A 85 ARG HBx 1.0 1.8 5.0 1114 836 A 77 TYR HD% A 85 ARG HDx 1.0 1.8 5.5 1115 836 A 77 TYR HD% A 85 ARG HDy 1.0 1.8 5.5 1116 837 A 77 TYR HD% A 85 ARG HGx 1.0 1.8 5.5 1117 837 A 77 TYR HD% A 85 ARG HGy 1.0 1.8 5.5 1118 838 A 77 TYR HD% A 87 VAL HG1% 1.0 1.8 5.5 1119 839 A 77 TYR HD% A 87 VAL HG2% 1.0 1.8 5.0 1120 840 A 77 TYR HE% A 79 GLU HBx 1.0 1.8 5.0 1121 840 A 77 TYR HE% A 79 GLU HBy 1.0 1.8 5.0 1122 841 A 77 TYR HE% A 79 GLU HGx 1.0 1.8 5.0 1123 841 A 79 GLU HGy A 77 TYR HE% 1.0 1.8 5.0 1124 842 A 77 TYR HE% A 85 ARG HBy 1.0 1.8 5.5 1125 842 A 77 TYR HE% A 85 ARG HBx 1.0 1.8 5.5 1126 843 A 77 TYR HE% A 85 ARG HDx 1.0 1.8 5.5 1127 843 A 77 TYR HE% A 85 ARG HDy 1.0 1.8 5.5 1128 844 A 77 TYR HE% A 85 ARG HGx 1.0 1.8 5.5 1129 844 A 85 ARG HGy A 77 TYR HE% 1.0 1.8 5.5 1130 845 A 78 PHE HD% A 80 THR HG2% 1.0 1.8 5.5 1131 846 A 78 PHE HD% A 86 VAL HB 1.0 1.8 5.5 1132 847 A 78 PHE HD% A 86 VAL HG1% 1.0 1.8 5.0 1133 848 A 78 PHE HD% A 86 VAL HG2% 1.0 1.8 5.5 1134 849 A 78 PHE HE% A 86 VAL HB 1.0 1.8 5.0 1135 850 A 86 VAL HG1% A 78 PHE HE% 1.0 1.8 5.0 1136 851 A 86 VAL HG2% A 78 PHE HE% 1.0 1.8 5.0 1137 852 A 86 VAL HB A 78 PHE HZ 1.0 1.8 5.0 1138 853 A 86 VAL HG1% A 78 PHE HZ 1.0 1.8 5.0 1139 854 A 86 VAL HG2% A 78 PHE HZ 1.0 1.8 5.0 1140 855 A 79 GLU HGy A 85 ARG HGx 1.0 1.8 5.0 1141 855 A 85 ARG HGy A 79 GLU HGx 1.0 1.8 5.0 1142 855 A 79 GLU HGy A 85 ARG HGy 1.0 1.8 5.0 1143 855 A 79 GLU HGx A 85 ARG HGx 1.0 1.8 5.0 1144 856 A 84 VAL HG2% A 80 THR HG1 1.0 1.8 5.5 1145 857 A 80 THR HG2% A 84 VAL HB 1.0 1.8 5.5 1146 858 A 84 VAL HG1% A 80 THR HG2% 1.0 1.8 5.0 1147 859 A 86 VAL HG2% A 80 THR HG2% 1.0 1.8 5.0 1148 860 A 84 VAL HG2% A 82 ASP HBx 1.0 1.8 5.5 1149 860 A 84 VAL HG2% A 82 ASP HBy 1.0 1.8 5.5 1150 861 A 86 VAL HG2% A 84 VAL HB 1.0 1.8 5.5 1151 862 A 84 VAL HG1% A 86 VAL HG2% 1.0 1.8 5.5 1152 863 A 87 VAL HG2% A 85 ARG HBy 1.0 1.8 5.0 1153 864 A 87 VAL HG2% A 85 ARG HBx 1.0 1.8 5.0 1154 865 A 87 VAL HG2% A 85 ARG HDx 1.0 1.8 5.0 1155 865 A 87 VAL HG2% A 85 ARG HDy 1.0 1.8 5.0 1156 866 A 87 VAL HG2% A 85 ARG HGx 1.0 1.8 5.5 1157 866 A 85 ARG HGy A 87 VAL HG2% 1.0 1.8 5.5 1158 867 A 86 VAL HG1% A 88 THR HG2% 1.0 1.8 5.5 1159 868 A 88 THR HG2% A 93 PHE HBx 1.0 1.8 5.0 1160 868 A 93 PHE HBy A 88 THR HG2% 1.0 1.8 5.0 1161 869 A 88 THR HG2% A 93 PHE HD% 1.0 1.8 5.0 1162 870 A 89 ASP HBy A 92 GLU HBy 1.0 1.8 5.0 1163 870 A 89 ASP HBx A 92 GLU HBy 1.0 1.8 5.0 1164 871 A 92 GLU HBx A 89 ASP HBx 1.0 1.8 5.0 1165 871 A 89 ASP HBy A 92 GLU HBx 1.0 1.8 5.0 1166 872 A 90 TYR HD% A 94 GLN HGx 1.0 1.8 5.0 1167 872 A 90 TYR HD% A 94 GLN HGy 1.0 1.8 5.0 1168 873 A 90 TYR HE% A 94 GLN HGx 1.0 1.8 5.0 1169 873 A 94 GLN HGy A 90 TYR HE% 1.0 1.8 5.0 1170 874 A 92 GLU HGy A 95 LYS HBx 1.0 1.8 5.5 1171 874 A 92 GLU HGx A 95 LYS HBx 1.0 1.8 5.5 1172 874 A 95 LYS HBy A 92 GLU HGx 1.0 1.8 5.5 1173 874 A 92 GLU HGy A 95 LYS HBy 1.0 1.8 5.5 1174 875 A 96 ILE HD1% A 92 GLU HGx 1.0 1.8 5.5 1175 875 A 92 GLU HGy A 96 ILE HD1% 1.0 1.8 5.5 1176 876 A 93 PHE HD% A 96 ILE HD1% 1.0 1.8 5.5 1177 877 A 93 PHE HD% A 96 ILE HG2% 1.0 1.8 5.5 1178 878 A 93 PHE HD% A 97 LEU HD2% 1.0 1.8 5.0 1179 879 A 97 LEU HD2% A 93 PHE HE% 1.0 1.8 5.0 1180 880 A 97 LEU HD2% A 93 PHE HZ 1.0 1.8 5.0 1181 881 A 94 GLN HBy A 97 LEU HBx 1.0 1.8 5.5 1182 881 A 94 GLN HBx A 97 LEU HBx 1.0 1.8 5.5 1183 881 A 97 LEU HBy A 94 GLN HBx 1.0 1.8 5.5 1184 881 A 97 LEU HBy A 94 GLN HBy 1.0 1.8 5.5 1185 882 A 96 ILE HG2% A 100 ARG HDx 1.0 1.8 5.5 1186 882 A 96 ILE HG2% A 100 ARG HDy 1.0 1.8 5.5 1187 883 A 96 ILE HG2% A 100 ARG HGx 1.0 1.8 5.5 1188 883 A 96 ILE HG2% A 100 ARG HGy 1.0 1.8 5.5 1189 884 A 96 ILE HG2% A 99 LYS HBx 1.0 1.8 5.5 1190 884 A 99 LYS HBy A 96 ILE HG2% 1.0 1.8 5.5 1191 885 A 97 LEU HD1% A 102 THR HG2% 1.0 1.8 5.0 1192 886 A 97 LEU HD2% A 102 THR HB 1.0 1.8 5.0 1193 887 A 97 LEU HD2% A 102 THR HG2% 1.0 1.8 5.0 1194 888 A 1 MET HA A 1 MET HE% 1.0 1.8 5.5 1195 889 A 1 MET HE% A 1 MET HGx 1.0 1.8 5.5 1196 889 A 1 MET HE% A 1 MET HGy 1.0 1.8 5.5 1197 890 A 2 ASN HBx A 2 ASN HD2x 1.0 1.8 5.5 1198 890 A 2 ASN HBy A 2 ASN HD2x 1.0 1.8 5.5 1199 890 A 2 ASN HD2y A 2 ASN HBx 1.0 1.8 5.5 1200 890 A 2 ASN HBy A 2 ASN HD2y 1.0 1.8 5.5 1201 891 A 4 GLU H A 4 GLU HGx 1.0 1.8 5.5 1202 891 A 4 GLU H A 4 GLU HGy 1.0 1.8 5.5 1203 892 A 5 VAL H A 5 VAL HB 1.0 1.8 3.5 1204 893 A 5 VAL H A 5 VAL HG1% 1.0 1.8 5.5 1205 894 A 5 VAL H A 5 VAL HG2% 1.0 1.8 5.5 1206 895 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 5.5 1207 896 A 6 ILE HG1y A 6 ILE HG2% 1.0 1.8 5.5 1208 897 A 6 ILE HG2% A 6 ILE HG1x 1.0 1.8 5.5 1209 898 A 6 ILE H A 6 ILE HB 1.0 1.8 3.5 1210 899 A 6 ILE H A 6 ILE HD1% 1.0 1.8 5.5 1211 900 A 7 LYS HDy A 7 LYS H 1.0 1.8 5.5 1212 900 A 7 LYS H A 7 LYS HDx 1.0 1.8 5.5 1213 901 A 7 LYS HEy A 7 LYS H 1.0 1.8 5.5 1214 901 A 7 LYS H A 7 LYS HEx 1.0 1.8 5.5 1215 902 A 7 LYS HGy A 7 LYS H 1.0 1.8 5.0 1216 902 A 7 LYS H A 7 LYS HGx 1.0 1.8 5.0 1217 903 A 8 GLU HGy A 8 GLU H 1.0 1.8 5.5 1218 903 A 8 GLU H A 8 GLU HGx 1.0 1.8 5.5 1219 904 A 9 PHE HA A 9 PHE HD% 1.0 1.8 5.5 1220 905 A 9 PHE HD% A 9 PHE H 1.0 1.8 5.5 1221 906 A 10 LEU HA A 10 LEU HD2% 1.0 1.8 5.5 1222 907 A 10 LEU HD1% A 10 LEU H 1.0 1.8 5.5 1223 908 A 10 LEU HD2% A 10 LEU H 1.0 1.8 5.5 1224 909 A 10 LEU HG A 10 LEU H 1.0 1.8 5.0 1225 910 A 11 GLU HBy A 11 GLU H 1.0 1.8 3.9 1226 910 A 11 GLU H A 11 GLU HBx 1.0 1.8 3.9 1227 911 A 11 GLU HGy A 11 GLU H 1.0 1.8 5.0 1228 911 A 11 GLU H A 11 GLU HGx 1.0 1.8 5.0 1229 912 A 12 ASP HBy A 12 ASP H 1.0 1.8 3.5 1230 912 A 12 ASP H A 12 ASP HBx 1.0 1.8 3.5 1231 913 A 13 ILE HD1% A 13 ILE HA 1.0 1.8 5.5 1232 914 A 13 ILE H A 13 ILE HD1% 1.0 1.8 5.5 1233 915 A 13 ILE H A 13 ILE HG1x 1.0 1.8 5.0 1234 915 A 13 ILE H A 13 ILE HG1y 1.0 1.8 5.0 1235 916 A 16 ASP H A 16 ASP HBx 1.0 1.8 3.5 1236 916 A 16 ASP H A 16 ASP HBy 1.0 1.8 3.5 1237 917 A 17 TYR HA A 17 TYR HD% 1.0 1.8 5.5 1238 918 A 17 TYR H A 17 TYR HD% 1.0 1.8 5.5 1239 919 A 18 ILE HA A 18 ILE HD1% 1.0 1.8 5.5 1240 920 A 18 ILE HG1y A 18 ILE HG2% 1.0 1.8 5.5 1241 921 A 18 ILE HG2% A 18 ILE HG1x 1.0 1.8 5.5 1242 922 A 18 ILE H A 18 ILE HB 1.0 1.8 3.5 1243 923 A 18 ILE H A 18 ILE HD1% 1.0 1.8 5.5 1244 924 A 18 ILE H A 18 ILE HG1x 1.0 1.8 5.0 1245 924 A 18 ILE H A 18 ILE HG1y 1.0 1.8 5.0 1246 925 A 19 GLU H A 19 GLU HBx 1.0 1.8 3.5 1247 925 A 19 GLU H A 19 GLU HBy 1.0 1.8 3.5 1248 926 A 20 LEU HA A 20 LEU HD2% 1.0 1.8 5.5 1249 927 A 20 LEU HD1% A 20 LEU HBy 1.0 1.8 5.5 1250 927 A 20 LEU HD1% A 20 LEU HBx 1.0 1.8 5.5 1251 928 A 20 LEU HD2% A 20 LEU HBy 1.0 1.8 5.5 1252 928 A 20 LEU HD2% A 20 LEU HBx 1.0 1.8 5.5 1253 929 A 20 LEU H A 20 LEU HD1% 1.0 1.8 5.5 1254 930 A 20 LEU H A 20 LEU HD2% 1.0 1.8 5.5 1255 931 A 20 LEU H A 20 LEU HG 1.0 1.8 5.0 1256 932 A 21 GLU H A 21 GLU HGx 1.0 1.8 5.5 1257 932 A 21 GLU H A 21 GLU HGy 1.0 1.8 5.5 1258 933 A 22 ASN HBx A 22 ASN HD2x 1.0 1.8 5.0 1259 933 A 22 ASN HBy A 22 ASN HD2x 1.0 1.8 5.0 1260 933 A 22 ASN HD2y A 22 ASN HBx 1.0 1.8 5.0 1261 933 A 22 ASN HBy A 22 ASN HD2y 1.0 1.8 5.0 1262 934 A 22 ASN H A 22 ASN HA 1.0 1.8 2.9 1263 935 A 22 ASN H A 22 ASN HD2x 1.0 1.8 5.5 1264 935 A 22 ASN H A 22 ASN HD2y 1.0 1.8 5.5 1265 936 A 23 GLU H A 23 GLU HGx 1.0 1.8 5.0 1266 936 A 23 GLU H A 23 GLU HGy 1.0 1.8 5.0 1267 937 A 24 ILE HD1% A 24 ILE H 1.0 1.8 5.5 1268 938 A 24 ILE HG1y A 24 ILE H 1.0 1.8 5.5 1269 938 A 24 ILE H A 24 ILE HG1x 1.0 1.8 5.5 1270 939 A 25 HIS HD2 A 25 HIS HBx 1.0 1.8 5.0 1271 939 A 25 HIS HBy A 25 HIS HD2 1.0 1.8 5.0 1272 940 A 25 HIS H A 25 HIS HD2 1.0 1.8 5.0 1273 941 A 26 LEU HA A 26 LEU HD1% 1.0 1.8 5.5 1274 942 A 26 LEU HA A 26 LEU HD2% 1.0 1.8 4.0 1275 943 A 26 LEU HD1% A 26 LEU H 1.0 1.8 5.5 1276 944 A 26 LEU HD2% A 26 LEU H 1.0 1.8 5.5 1277 945 A 26 LEU HG A 26 LEU H 1.0 1.8 5.0 1278 946 A 27 LYS HBx A 27 LYS HDx 1.0 1.8 5.5 1279 946 A 27 LYS HBy A 27 LYS HDx 1.0 1.8 5.5 1280 946 A 27 LYS HDy A 27 LYS HBx 1.0 1.8 5.5 1281 946 A 27 LYS HBy A 27 LYS HDy 1.0 1.8 5.5 1282 947 A 27 LYS HBy A 27 LYS HEx 1.0 1.8 5.5 1283 947 A 27 LYS HBx A 27 LYS HEx 1.0 1.8 5.5 1284 947 A 27 LYS HEy A 27 LYS HBx 1.0 1.8 5.5 1285 947 A 27 LYS HBy A 27 LYS HEy 1.0 1.8 5.5 1286 948 A 27 LYS H A 27 LYS HDx 1.0 1.8 5.0 1287 948 A 27 LYS H A 27 LYS HDy 1.0 1.8 5.0 1288 949 A 27 LYS H A 27 LYS HGx 1.0 1.8 5.5 1289 949 A 27 LYS H A 27 LYS HGy 1.0 1.8 5.5 1290 950 A 29 GLU H A 29 GLU HBy 1.0 1.8 3.5 1291 950 A 29 GLU H A 29 GLU HBx 1.0 1.8 3.5 1292 951 A 29 GLU H A 29 GLU HGy 1.0 1.8 5.0 1293 951 A 29 GLU H A 29 GLU HGx 1.0 1.8 5.0 1294 952 A 30 VAL H A 30 VAL HB 1.0 1.8 3.5 1295 953 A 30 VAL H A 30 VAL HG1% 1.0 1.8 5.5 1296 954 A 30 VAL H A 30 VAL HG2% 1.0 1.8 5.5 1297 955 A 31 PHE HA A 31 PHE HD% 1.0 1.8 5.5 1298 956 A 31 PHE HD% A 31 PHE H 1.0 1.8 5.5 1299 957 A 32 TYR HE% A 32 TYR HBx 1.0 1.8 5.5 1300 957 A 32 TYR HBy A 32 TYR HE% 1.0 1.8 5.5 1301 958 A 32 TYR H A 32 TYR HD% 1.0 1.8 5.5 1302 959 A 33 GLU H A 33 GLU HGx 1.0 1.8 5.0 1303 959 A 33 GLU H A 33 GLU HGy 1.0 1.8 5.0 1304 960 A 34 VAL HB A 34 VAL H 1.0 1.8 3.5 1305 961 A 34 VAL HG1% A 34 VAL H 1.0 1.8 5.5 1306 962 A 34 VAL HG2% A 34 VAL H 1.0 1.8 5.5 1307 963 A 35 TRP HA A 35 TRP HD1 1.0 1.8 5.0 1308 964 A 35 TRP HE3 A 35 TRP HBx 1.0 1.8 5.0 1309 964 A 35 TRP HE3 A 35 TRP HBy 1.0 1.8 5.0 1310 965 A 35 TRP HD1 A 35 TRP HBx 1.0 1.8 5.5 1311 965 A 35 TRP HD1 A 35 TRP HBy 1.0 1.8 5.5 1312 966 A 35 TRP HZ3 A 35 TRP HBx 1.0 1.8 5.5 1313 966 A 35 TRP HBy A 35 TRP HZ3 1.0 1.8 5.5 1314 967 A 35 TRP HE3 A 35 TRP H 1.0 1.8 5.0 1315 968 A 36 LYS HA A 36 LYS HDx 1.0 1.8 5.0 1316 968 A 36 LYS HA A 36 LYS HDy 1.0 1.8 5.0 1317 969 A 36 LYS HBy A 36 LYS HEy 1.0 1.8 5.5 1318 969 A 36 LYS HBy A 36 LYS HEx 1.0 1.8 5.5 1319 970 A 36 LYS HEy A 36 LYS HBx 1.0 1.8 5.5 1320 970 A 36 LYS HBx A 36 LYS HEx 1.0 1.8 5.5 1321 971 A 36 LYS HEy A 36 LYS HGy 1.0 1.8 5.5 1322 971 A 36 LYS HEx A 36 LYS HGy 1.0 1.8 5.5 1323 972 A 36 LYS HGx A 36 LYS HEx 1.0 1.8 5.5 1324 972 A 36 LYS HGx A 36 LYS HEy 1.0 1.8 5.5 1325 973 A 36 LYS H A 36 LYS HDx 1.0 1.8 5.0 1326 973 A 36 LYS H A 36 LYS HDy 1.0 1.8 5.0 1327 974 A 36 LYS H A 36 LYS HGy 1.0 1.8 5.5 1328 974 A 36 LYS H A 36 LYS HGx 1.0 1.8 5.5 1329 975 A 37 TYR HD% A 37 TYR HA 1.0 1.8 5.5 1330 976 A 37 TYR HE% A 37 TYR HA 1.0 1.8 5.5 1331 977 A 37 TYR H A 37 TYR HD% 1.0 1.8 5.5 1332 978 A 38 VAL HG1% A 38 VAL HA 1.0 1.8 3.5 1333 979 A 38 VAL HG1% A 38 VAL H 1.0 1.8 5.5 1334 980 A 38 VAL HG2% A 38 VAL H 1.0 1.8 5.5 1335 981 A 40 GLU H A 40 GLU HGx 1.0 1.8 5.0 1336 981 A 40 GLU H A 40 GLU HGy 1.0 1.8 5.0 1337 982 A 43 LEU HA A 43 LEU HD2% 1.0 1.8 3.5 1338 983 A 43 LEU HD1% A 43 LEU H 1.0 1.8 5.5 1339 984 A 43 LEU HG A 43 LEU H 1.0 1.8 5.0 1340 985 A 44 LYS HBy A 44 LYS HDx 1.0 1.8 5.5 1341 985 A 44 LYS HBx A 44 LYS HDx 1.0 1.8 5.5 1342 985 A 44 LYS HDy A 44 LYS HBx 1.0 1.8 5.5 1343 985 A 44 LYS HBy A 44 LYS HDy 1.0 1.8 5.5 1344 986 A 44 LYS HBx A 44 LYS HEx 1.0 1.8 5.5 1345 986 A 44 LYS HBy A 44 LYS HEx 1.0 1.8 5.5 1346 986 A 44 LYS HEy A 44 LYS HBx 1.0 1.8 5.5 1347 986 A 44 LYS HBy A 44 LYS HEy 1.0 1.8 5.5 1348 987 A 44 LYS HGy A 44 LYS H 1.0 1.8 5.5 1349 987 A 44 LYS H A 44 LYS HGx 1.0 1.8 5.5 1350 988 A 45 THR H A 45 THR HG2% 1.0 1.8 5.5 1351 989 A 46 TYR HA A 46 TYR HD% 1.0 1.8 5.5 1352 990 A 46 TYR HD% A 46 TYR HBx 1.0 1.8 5.5 1353 990 A 46 TYR HD% A 46 TYR HBy 1.0 1.8 5.5 1354 991 A 46 TYR HE% A 46 TYR HBx 1.0 1.8 5.5 1355 991 A 46 TYR HBy A 46 TYR HE% 1.0 1.8 5.5 1356 992 A 46 TYR HD% A 46 TYR H 1.0 1.8 5.5 1357 993 A 47 VAL H A 47 VAL HB 1.0 1.8 3.5 1358 994 A 47 VAL H A 47 VAL HG1% 1.0 1.8 5.5 1359 995 A 47 VAL H A 47 VAL HG2% 1.0 1.8 5.5 1360 996 A 48 ILE HD1% A 48 ILE H 1.0 1.8 5.5 1361 997 A 48 ILE HG1y A 48 ILE H 1.0 1.8 5.0 1362 997 A 48 ILE H A 48 ILE HG1x 1.0 1.8 5.0 1363 998 A 66 THR H A 66 THR HG2% 1.0 1.8 5.5 1364 999 A 72 LYS HBx A 72 LYS HDx 1.0 1.8 5.5 1365 999 A 72 LYS HBy A 72 LYS HDx 1.0 1.8 5.5 1366 999 A 72 LYS HDy A 72 LYS HBx 1.0 1.8 5.5 1367 999 A 72 LYS HBy A 72 LYS HDy 1.0 1.8 5.5 1368 1000 A 72 LYS H A 72 LYS HDx 1.0 1.8 5.5 1369 1000 A 72 LYS HDy A 72 LYS H 1.0 1.8 5.5 1370 1001 A 72 LYS H A 72 LYS HGy 1.0 1.8 5.0 1371 1001 A 72 LYS HGx A 72 LYS H 1.0 1.8 5.0 1372 1002 A 74 LYS HEy A 74 LYS HBy 1.0 1.8 5.5 1373 1002 A 74 LYS HBy A 74 LYS HEx 1.0 1.8 5.5 1374 1003 A 74 LYS HEy A 74 LYS HBx 1.0 1.8 5.5 1375 1003 A 74 LYS HBx A 74 LYS HEx 1.0 1.8 5.5 1376 1004 A 74 LYS HBx A 74 LYS HDx 1.0 1.8 5.5 1377 1004 A 74 LYS HBy A 74 LYS HDx 1.0 1.8 5.5 1378 1004 A 74 LYS HDy A 74 LYS HBx 1.0 1.8 5.5 1379 1004 A 74 LYS HDy A 74 LYS HBy 1.0 1.8 5.5 1380 1005 A 74 LYS H A 74 LYS HDx 1.0 1.8 5.5 1381 1005 A 74 LYS H A 74 LYS HDy 1.0 1.8 5.5 1382 1006 A 74 LYS H A 74 LYS HGx 1.0 1.8 5.5 1383 1006 A 74 LYS HGy A 74 LYS H 1.0 1.8 5.5 1384 1007 A 75 LYS HA A 75 LYS HDx 1.0 1.8 5.5 1385 1007 A 75 LYS HA A 75 LYS HDy 1.0 1.8 5.5 1386 1008 A 75 LYS HBx A 75 LYS HDx 1.0 1.8 5.0 1387 1008 A 75 LYS HBy A 75 LYS HDx 1.0 1.8 5.0 1388 1008 A 75 LYS HDy A 75 LYS HBx 1.0 1.8 5.0 1389 1008 A 75 LYS HDy A 75 LYS HBy 1.0 1.8 5.0 1390 1009 A 76 VAL HG1% A 76 VAL H 1.0 1.8 5.5 1391 1010 A 76 VAL HG2% A 76 VAL H 1.0 1.8 5.5 1392 1011 A 77 TYR HA A 77 TYR HD% 1.0 1.8 5.5 1393 1012 A 77 TYR HE% A 77 TYR HBx 1.0 1.8 5.5 1394 1012 A 77 TYR HBy A 77 TYR HE% 1.0 1.8 5.5 1395 1013 A 77 TYR HD% A 77 TYR H 1.0 1.8 5.5 1396 1014 A 77 TYR HE% A 77 TYR H 1.0 1.8 5.5 1397 1015 A 78 PHE HA A 78 PHE HD% 1.0 1.8 5.5 1398 1016 A 78 PHE HD% A 78 PHE H 1.0 1.8 5.5 1399 1017 A 79 GLU H A 79 GLU HBx 1.0 1.8 3.5 1400 1017 A 79 GLU H A 79 GLU HBy 1.0 1.8 3.5 1401 1018 A 79 GLU H A 79 GLU HGx 1.0 1.8 5.5 1402 1018 A 79 GLU H A 79 GLU HGy 1.0 1.8 5.5 1403 1019 A 80 THR HG1 A 80 THR HG2% 1.0 1.8 5.5 1404 1020 A 80 THR HG1 A 80 THR H 1.0 1.8 5.0 1405 1021 A 80 THR HG2% A 80 THR H 1.0 1.8 5.5 1406 1022 A 81 LEU HA A 81 LEU HD1% 1.0 1.8 5.5 1407 1023 A 81 LEU HA A 81 LEU HD2% 1.0 1.8 5.5 1408 1024 A 81 LEU H A 81 LEU HD1% 1.0 1.8 5.5 1409 1025 A 81 LEU H A 81 LEU HD2% 1.0 1.8 5.5 1410 1026 A 81 LEU H A 81 LEU HG 1.0 1.8 5.0 1411 1027 A 83 ASN HA A 83 ASN HD2x 1.0 1.8 5.0 1412 1027 A 83 ASN HA A 83 ASN HD2y 1.0 1.8 5.0 1413 1028 A 83 ASN HBx A 83 ASN HD2x 1.0 1.8 5.0 1414 1028 A 83 ASN HBy A 83 ASN HD2x 1.0 1.8 5.0 1415 1028 A 83 ASN HD2y A 83 ASN HBx 1.0 1.8 5.0 1416 1028 A 83 ASN HBy A 83 ASN HD2y 1.0 1.8 5.0 1417 1029 A 83 ASN H A 83 ASN HA 1.0 1.8 2.9 1418 1030 A 84 VAL H A 84 VAL HB 1.0 1.8 3.5 1419 1031 A 84 VAL H A 84 VAL HG1% 1.0 1.8 5.5 1420 1032 A 84 VAL H A 84 VAL HG2% 1.0 1.8 5.5 1421 1033 A 85 ARG HE A 85 ARG HGx 1.0 1.8 5.0 1422 1033 A 85 ARG HGy A 85 ARG HE 1.0 1.8 5.0 1423 1034 A 85 ARG HGy A 85 ARG H 1.0 1.8 5.0 1424 1034 A 85 ARG H A 85 ARG HGx 1.0 1.8 5.0 1425 1035 A 86 VAL HG1% A 86 VAL H 1.0 1.8 5.5 1426 1036 A 86 VAL HG2% A 86 VAL H 1.0 1.8 5.5 1427 1037 A 87 VAL HB A 87 VAL H 1.0 1.8 3.5 1428 1038 A 87 VAL HG1% A 87 VAL H 1.0 1.8 5.5 1429 1039 A 87 VAL HG2% A 87 VAL H 1.0 1.8 5.5 1430 1040 A 88 THR HG1 A 88 THR HG2% 1.0 1.8 5.5 1431 1041 A 88 THR HG1 A 88 THR H 1.0 1.8 5.0 1432 1042 A 88 THR HG2% A 88 THR H 1.0 1.8 5.5 1433 1043 A 90 TYR HA A 90 TYR HD% 1.0 1.8 5.5 1434 1044 A 90 TYR HD% A 90 TYR HBx 1.0 1.8 5.5 1435 1044 A 90 TYR HD% A 90 TYR HBy 1.0 1.8 5.5 1436 1045 A 92 GLU H A 92 GLU HGx 1.0 1.8 5.0 1437 1045 A 92 GLU H A 92 GLU HGy 1.0 1.8 5.0 1438 1046 A 93 PHE HA A 93 PHE HD% 1.0 1.8 5.5 1439 1047 A 93 PHE HD% A 93 PHE HBx 1.0 1.8 5.5 1440 1047 A 93 PHE HBy A 93 PHE HD% 1.0 1.8 5.5 1441 1048 A 93 PHE HE% A 93 PHE HBx 1.0 1.8 5.5 1442 1048 A 93 PHE HBy A 93 PHE HE% 1.0 1.8 5.5 1443 1049 A 93 PHE HD% A 93 PHE H 1.0 1.8 5.5 1444 1050 A 94 GLN HE2y A 94 GLN HGx 1.0 1.8 5.5 1445 1050 A 94 GLN HE2x A 94 GLN HGx 1.0 1.8 5.5 1446 1050 A 94 GLN HGy A 94 GLN HE2x 1.0 1.8 5.5 1447 1050 A 94 GLN HGy A 94 GLN HE2y 1.0 1.8 5.5 1448 1051 A 94 GLN HGy A 94 GLN H 1.0 1.8 5.0 1449 1051 A 94 GLN H A 94 GLN HGx 1.0 1.8 5.0 1450 1052 A 95 LYS HA A 95 LYS HDx 1.0 1.8 5.5 1451 1052 A 95 LYS HA A 95 LYS HDy 1.0 1.8 5.5 1452 1053 A 95 LYS HBx A 95 LYS HDx 1.0 1.8 5.5 1453 1053 A 95 LYS HBy A 95 LYS HDx 1.0 1.8 5.5 1454 1053 A 95 LYS HDy A 95 LYS HBx 1.0 1.8 5.5 1455 1053 A 95 LYS HDy A 95 LYS HBy 1.0 1.8 5.5 1456 1054 A 95 LYS HBy A 95 LYS H 1.0 1.8 3.5 1457 1054 A 95 LYS H A 95 LYS HBx 1.0 1.8 3.5 1458 1055 A 95 LYS HDy A 95 LYS H 1.0 1.8 5.5 1459 1055 A 95 LYS H A 95 LYS HDx 1.0 1.8 5.5 1460 1056 A 95 LYS HGy A 95 LYS H 1.0 1.8 5.0 1461 1056 A 95 LYS H A 95 LYS HGx 1.0 1.8 5.0 1462 1057 A 96 ILE HA A 96 ILE HD1% 1.0 1.8 5.5 1463 1058 A 96 ILE HB A 96 ILE H 1.0 1.8 3.5 1464 1059 A 96 ILE HD1% A 96 ILE H 1.0 1.8 5.5 1465 1060 A 96 ILE HG1y A 96 ILE H 1.0 1.8 5.0 1466 1060 A 96 ILE H A 96 ILE HG1x 1.0 1.8 5.0 1467 1061 A 97 LEU HA A 97 LEU HD1% 1.0 1.8 5.5 1468 1062 A 97 LEU HA A 97 LEU HD2% 1.0 1.8 5.5 1469 1063 A 97 LEU HD1% A 97 LEU HBx 1.0 1.8 5.0 1470 1063 A 97 LEU HD1% A 97 LEU HBy 1.0 1.8 5.0 1471 1064 A 97 LEU HA A 97 LEU HD2% 1.0 1.8 3.5 1472 1065 A 97 LEU HBy A 97 LEU H 1.0 1.8 3.5 1473 1065 A 97 LEU H A 97 LEU HBx 1.0 1.8 3.5 1474 1066 A 97 LEU HD1% A 97 LEU H 1.0 1.8 5.5 1475 1067 A 97 LEU HD2% A 97 LEU H 1.0 1.8 5.5 1476 1068 A 97 LEU HG A 97 LEU H 1.0 1.8 5.0 1477 1069 A 98 LYS HA A 98 LYS HDx 1.0 1.8 5.5 1478 1069 A 98 LYS HA A 98 LYS HDy 1.0 1.8 5.5 1479 1070 A 98 LYS HBy A 98 LYS HDx 1.0 1.8 5.5 1480 1070 A 98 LYS HBx A 98 LYS HDx 1.0 1.8 5.5 1481 1070 A 98 LYS HDy A 98 LYS HBx 1.0 1.8 5.5 1482 1070 A 98 LYS HBy A 98 LYS HDy 1.0 1.8 5.5 1483 1071 A 98 LYS HBy A 98 LYS H 1.0 1.8 3.9 1484 1071 A 98 LYS H A 98 LYS HBx 1.0 1.8 3.9 1485 1072 A 98 LYS HDy A 98 LYS H 1.0 1.8 5.5 1486 1072 A 98 LYS H A 98 LYS HDx 1.0 1.8 5.5 1487 1073 A 98 LYS H A 98 LYS HGy 1.0 1.8 5.0 1488 1074 A 98 LYS HGx A 98 LYS H 1.0 1.8 5.0 1489 1075 A 99 LYS HA A 99 LYS HDx 1.0 1.8 5.5 1490 1075 A 99 LYS HA A 99 LYS HDy 1.0 1.8 5.5 1491 1076 A 99 LYS HBy A 99 LYS HDx 1.0 1.8 5.5 1492 1076 A 99 LYS HBx A 99 LYS HDx 1.0 1.8 5.5 1493 1076 A 99 LYS HDy A 99 LYS HBx 1.0 1.8 5.5 1494 1076 A 99 LYS HBy A 99 LYS HDy 1.0 1.8 5.5 1495 1077 A 99 LYS HBy A 99 LYS H 1.0 1.8 3.9 1496 1077 A 99 LYS H A 99 LYS HBx 1.0 1.8 3.9 1497 1078 A 100 ARG HA A 100 ARG HDx 1.0 1.8 5.0 1498 1078 A 100 ARG HDy A 100 ARG HA 1.0 1.8 5.0 1499 1079 A 100 ARG HDy A 100 ARG H 1.0 1.8 5.5 1500 1079 A 100 ARG H A 100 ARG HDx 1.0 1.8 5.5 1501 1080 A 100 ARG HGy A 100 ARG H 1.0 1.8 5.0 1502 1080 A 100 ARG H A 100 ARG HGx 1.0 1.8 5.0 1503 1081 A 102 THR H A 102 THR HG2% 1.0 1.8 5.5 1504 1082 A 104 LEU HA A 104 LEU HD1% 1.0 1.8 5.5 1505 1083 A 104 LEU HA A 104 LEU HD2% 1.0 1.8 5.5 1506 1084 A 104 LEU HD1% A 104 LEU HBx 1.0 1.8 5.5 1507 1084 A 104 LEU HD1% A 104 LEU HBy 1.0 1.8 5.5 1508 1085 A 104 LEU HD1% A 104 LEU H 1.0 1.8 5.5 1509 1086 A 27 LYS HBx A 28 PRO HDx 1.0 1.8 5.0 1510 1086 A 27 LYS HBy A 28 PRO HDx 1.0 1.8 5.0 1511 1086 A 28 PRO HDy A 27 LYS HBx 1.0 1.8 5.0 1512 1086 A 28 PRO HDy A 27 LYS HBy 1.0 1.8 5.0 1513 1087 A 30 VAL HG2% A 29 GLU HGy 1.0 1.8 5.0 1514 1087 A 29 GLU HGx A 30 VAL HG2% 1.0 1.8 5.0 1515 1088 A 32 TYR HD% A 33 GLU HGx 1.0 1.8 5.5 1516 1088 A 33 GLU HGy A 32 TYR HD% 1.0 1.8 5.5 1517 1089 A 34 VAL HG2% A 33 GLU HBx 1.0 1.8 5.5 1518 1089 A 34 VAL HG2% A 33 GLU HBy 1.0 1.8 5.5 1519 1090 A 34 VAL HG2% A 33 GLU HGx 1.0 1.8 5.5 1520 1090 A 33 GLU HGy A 34 VAL HG2% 1.0 1.8 5.5 1521 1091 A 35 TRP HE3 A 36 LYS HDx 1.0 1.8 5.5 1522 1091 A 35 TRP HE3 A 36 LYS HDy 1.0 1.8 5.5 1523 1092 A 35 TRP HE3 A 36 LYS HGy 1.0 1.8 5.5 1524 1092 A 35 TRP HE3 A 36 LYS HGx 1.0 1.8 5.5 1525 1093 A 35 TRP HZ3 A 36 LYS HDx 1.0 1.8 5.0 1526 1093 A 36 LYS HDy A 35 TRP HZ3 1.0 1.8 5.0 1527 1094 A 35 TRP HZ3 A 36 LYS HEx 1.0 1.8 5.0 1528 1094 A 36 LYS HEy A 35 TRP HZ3 1.0 1.8 5.0 1529 1095 A 35 TRP HZ3 A 36 LYS HGy 1.0 1.8 5.0 1530 1095 A 36 LYS HGx A 35 TRP HZ3 1.0 1.8 5.0 1531 1096 A 37 TYR HD% A 38 VAL HG1% 1.0 1.8 5.0 1532 1097 A 38 VAL HG1% A 37 TYR HE% 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 3 SER O A 7 LYS N 1.0 2.7 3.3 2 2 A 3 SER O A 7 LYS H 1.0 1.7 2.3 3 3 A 4 GLU O A 8 GLU N 1.0 2.7 3.3 4 4 A 4 GLU O A 8 GLU H 1.0 1.7 2.3 5 5 A 5 VAL O A 9 PHE N 1.0 2.7 3.3 6 6 A 5 VAL O A 9 PHE H 1.0 1.7 2.3 7 7 A 6 ILE O A 10 LEU N 1.0 2.7 3.3 8 8 A 6 ILE O A 10 LEU H 1.0 1.7 2.3 9 9 A 7 LYS O A 11 GLU N 1.0 2.7 3.3 10 10 A 7 LYS O A 11 GLU H 1.0 1.7 2.3 11 11 A 8 GLU O A 12 ASP N 1.0 2.7 3.3 12 12 A 8 GLU O A 12 ASP H 1.0 1.7 2.3 13 13 A 10 LEU O A 14 GLY N 1.0 2.7 3.3 14 14 A 10 LEU O A 14 GLY H 1.0 1.7 2.3 15 15 A 22 ASN O A 85 ARG N 1.0 2.7 3.3 16 16 A 22 ASN O A 85 ARG H 1.0 1.7 2.3 17 17 A 24 ILE O A 87 VAL N 1.0 2.7 3.3 18 18 A 24 ILE O A 87 VAL H 1.0 1.7 2.3 19 19 A 27 LYS O A 31 PHE N 1.0 2.7 3.3 20 20 A 27 LYS O A 31 PHE H 1.0 1.7 2.3 21 21 A 30 VAL O A 34 VAL N 1.0 2.7 3.3 22 22 A 30 VAL O A 34 VAL H 1.0 1.7 2.3 23 23 A 31 PHE O A 35 TRP N 1.0 2.7 3.3 24 24 A 31 PHE O A 35 TRP H 1.0 1.7 2.3 25 25 A 34 VAL O A 38 VAL N 1.0 2.7 3.3 26 26 A 34 VAL O A 38 VAL H 1.0 1.7 2.3 27 27 A 44 LYS O A 77 TYR N 1.0 2.7 3.3 28 28 A 44 LYS O A 77 TYR H 1.0 1.7 2.3 29 29 A 46 TYR O A 75 LYS N 1.0 2.7 3.3 30 30 A 46 TYR O A 75 LYS H 1.0 1.7 2.3 31 31 A 48 ILE O A 73 ILE N 1.0 2.7 3.3 32 32 A 48 ILE O A 73 ILE H 1.0 1.7 2.3 33 33 A 69 LYS O A 52 ILE N 1.0 2.7 3.3 34 34 A 69 LYS O A 52 ILE H 1.0 1.7 2.3 35 35 A 73 ILE O A 48 ILE N 1.0 2.7 3.3 36 36 A 73 ILE O A 48 ILE H 1.0 1.7 2.3 37 37 A 75 LYS O A 46 TYR N 1.0 2.7 3.3 38 38 A 75 LYS O A 46 TYR H 1.0 1.7 2.3 39 39 A 76 VAL O A 88 THR N 1.0 2.7 3.3 40 40 A 76 VAL O A 88 THR H 1.0 1.7 2.3 41 41 A 77 TYR O A 44 LYS N 1.0 2.7 3.3 42 42 A 77 TYR O A 44 LYS H 1.0 1.7 2.3 43 43 A 78 PHE O A 86 VAL N 1.0 2.7 3.3 44 44 A 78 PHE O A 86 VAL H 1.0 1.7 2.3 45 45 A 84 VAL O A 80 THR N 1.0 2.7 3.3 46 46 A 84 VAL O A 80 THR H 1.0 1.7 2.3 47 47 A 85 ARG O A 24 ILE N 1.0 2.7 3.3 48 48 A 85 ARG O A 24 ILE H 1.0 1.7 2.3 49 49 A 86 VAL O A 78 PHE N 1.0 2.7 3.3 50 50 A 86 VAL O A 78 PHE H 1.0 1.7 2.3 51 51 A 87 VAL O A 26 LEU N 1.0 2.7 3.3 52 52 A 87 VAL O A 26 LEU H 1.0 1.7 2.3 53 53 A 88 THR O A 76 VAL N 1.0 2.7 3.3 54 54 A 88 THR O A 76 VAL H 1.0 1.7 2.3 55 55 A 89 ASP O A 93 PHE N 1.0 2.7 3.3 56 56 A 89 ASP O A 93 PHE H 1.0 1.7 2.3 57 57 A 90 TYR O A 94 GLN N 1.0 2.7 3.3 58 58 A 90 TYR O A 94 GLN H 1.0 1.7 2.3 59 59 A 91 SER O A 95 LYS N 1.0 2.7 3.3 60 60 A 91 SER O A 95 LYS H 1.0 1.7 2.3 61 61 A 92 GLU O A 96 ILE N 1.0 2.7 3.3 62 62 A 92 GLU O A 96 ILE H 1.0 1.7 2.3 63 63 A 93 PHE O A 97 LEU N 1.0 2.7 3.3 64 64 A 93 PHE O A 97 LEU H 1.0 1.7 2.3 65 65 A 94 GLN O A 98 LYS N 1.0 2.7 3.3 66 66 A 94 GLN O A 98 LYS H 1.0 1.7 2.3 67 67 A 95 LYS O A 99 LYS N 1.0 2.7 3.3 68 68 A 95 LYS O A 99 LYS H 1.0 1.7 2.3 69 69 A 96 ILE O A 100 ARG N 1.0 2.7 3.3 70 70 A 96 ILE O A 100 ARG H 1.0 1.7 2.3 71 71 A 97 LEU O A 101 GLY N 1.0 2.7 3.3 72 72 A 97 LEU O A 101 GLY H 1.0 1.7 2.3 73 73 A 41 PRO O A 35 TRP NE1 1.0 2.7 3.3 74 74 A 41 PRO O A 35 TRP HE1 1.0 1.7 2.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 2 ASN C A 3 SER N A 3 SER CA A 3 SER C 1.0 -89.08 -29.08 PHI 2 2 A 3 SER N A 3 SER CA A 3 SER C A 4 GLU N 1.0 -76.52 3.48 PSI 3 3 A 3 SER C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -95.00 -35.00 PHI 4 4 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 VAL N 1.0 -82.36 -2.36 PSI 5 5 A 4 GLU C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -94.49 -34.49 PHI 6 6 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 ILE N 1.0 -80.88 -0.88 PSI 7 7 A 5 VAL C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -95.88 -35.88 PHI 8 8 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 LYS N 1.0 -82.79 -2.79 PSI 9 9 A 6 ILE C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -91.53 -31.53 PHI 10 10 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLU N 1.0 -83.11 -3.11 PSI 11 11 A 7 LYS C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -95.11 -35.11 PHI 12 12 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 PHE N 1.0 -83.52 -3.52 PSI 13 13 A 8 GLU C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -92.60 -32.60 PHI 14 14 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 LEU N 1.0 -85.84 -5.84 PSI 15 15 A 9 PHE C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -95.17 -35.17 PHI 16 16 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 GLU N 1.0 -72.69 7.31 PSI 17 17 A 11 GLU C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -92.84 -32.84 PHI 18 18 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -77.45 2.55 PSI 19 19 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -119.29 -59.29 PHI 20 20 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 GLY N 1.0 -41.65 38.35 PSI 21 21 A 14 GLY C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -136.33 -76.33 PHI 22 22 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ASP N 1.0 109.81 189.81 PSI 23 23 A 17 TYR C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -144.93 -84.93 PHI 24 24 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 GLU N 1.0 91.93 171.93 PSI 25 25 A 18 ILE C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -128.61 -68.61 PHI 26 26 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LEU N 1.0 90.23 170.23 PSI 27 27 A 22 ASN C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -168.96 -108.96 PHI 28 28 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 ILE N 1.0 113.92 193.92 PSI 29 29 A 23 GLU C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -145.36 -85.36 PHI 30 30 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 HIS N 1.0 90.11 170.11 PSI 31 31 A 24 ILE C A 25 HIS N A 25 HIS CA A 25 HIS C 1.0 -140.57 -80.57 PHI 32 32 A 25 HIS N A 25 HIS CA A 25 HIS C A 26 LEU N 1.0 103.15 183.15 PSI 33 33 A 25 HIS C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -155.30 -95.30 PHI 34 34 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LYS N 1.0 106.93 186.93 PSI 35 35 A 28 PRO C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -92.53 -32.53 PHI 36 36 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 VAL N 1.0 -82.46 -2.46 PSI 37 37 A 29 GLU C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -95.01 -35.01 PHI 38 38 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 PHE N 1.0 -84.09 -4.09 PSI 39 39 A 30 VAL C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -91.88 -31.88 PHI 40 40 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 TYR N 1.0 -83.56 -3.56 PSI 41 41 A 31 PHE C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -91.71 -31.71 PHI 42 42 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 GLU N 1.0 -82.56 -2.56 PSI 43 43 A 32 TYR C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -96.46 -36.46 PHI 44 44 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 VAL N 1.0 -79.07 0.93 PSI 45 45 A 33 GLU C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -96.18 -36.18 PHI 46 46 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 TRP N 1.0 -85.27 -5.27 PSI 47 47 A 34 VAL C A 35 TRP N A 35 TRP CA A 35 TRP C 1.0 -93.24 -33.24 PHI 48 48 A 35 TRP N A 35 TRP CA A 35 TRP C A 36 LYS N 1.0 -84.60 -4.60 PSI 49 49 A 35 TRP C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -91.79 -31.79 PHI 50 50 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 TYR N 1.0 -73.63 6.37 PSI 51 51 A 36 LYS C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -96.36 -36.36 PHI 52 52 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 VAL N 1.0 -72.60 7.40 PSI 53 53 A 37 TYR C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -117.25 -57.25 PHI 54 54 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 GLY N 1.0 -40.30 39.70 PSI 55 55 A 42 GLU C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -133.32 -73.32 PHI 56 56 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 LYS N 1.0 86.19 166.19 PSI 57 57 A 43 LEU C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -142.63 -82.63 PHI 58 58 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 THR N 1.0 118.26 198.26 PSI 59 59 A 44 LYS C A 45 THR N A 45 THR CA A 45 THR C 1.0 -150.81 -90.81 PHI 60 60 A 45 THR N A 45 THR CA A 45 THR C A 46 TYR N 1.0 116.31 196.31 PSI 61 61 A 45 THR C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -178.55 -118.55 PHI 62 62 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 VAL N 1.0 114.36 194.36 PSI 63 63 A 46 TYR C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -147.51 -87.51 PHI 64 64 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 ILE N 1.0 105.19 185.19 PSI 65 65 A 47 VAL C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -152.96 -92.96 PHI 66 66 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 GLU N 1.0 101.41 181.41 PSI 67 67 A 48 ILE C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -132.62 -72.62 PHI 68 68 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 ASP N 1.0 88.06 168.06 PSI 69 69 A 49 GLU C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -153.10 -93.10 PHI 70 70 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 GLU N 1.0 100.66 180.66 PSI 71 71 A 52 ILE C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -150.54 -90.54 PHI 72 72 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 GLU N 1.0 90.01 170.01 PSI 73 73 A 53 VAL C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -147.51 -87.51 PHI 74 74 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 PRO N 1.0 101.48 181.48 PSI 75 75 A 55 PRO C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -195.48 -135.48 PHI 76 76 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 GLU N 1.0 -36.24 43.76 PSI 77 77 A 68 VAL C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -152.18 -92.18 PHI 78 78 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 LYS N 1.0 107.68 187.68 PSI 79 79 A 69 LYS C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -129.46 -69.46 PHI 80 80 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 VAL N 1.0 95.69 175.69 PSI 81 81 A 70 LYS C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -152.48 -92.48 PHI 82 82 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 LYS N 1.0 100.30 180.30 PSI 83 83 A 72 LYS C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -151.03 -91.03 PHI 84 84 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 LYS N 1.0 88.57 168.57 PSI 85 85 A 73 ILE C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -138.83 -78.83 PHI 86 86 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 LYS N 1.0 81.26 161.26 PSI 87 87 A 74 LYS C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -148.12 -88.12 PHI 88 88 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 VAL N 1.0 87.04 167.04 PSI 89 89 A 75 LYS C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -162.52 -102.52 PHI 90 90 A 76 VAL N A 76 VAL CA A 76 VAL C A 77 TYR N 1.0 109.36 189.36 PSI 91 91 A 76 VAL C A 77 TYR N A 77 TYR CA A 77 TYR C 1.0 -155.03 -95.03 PHI 92 92 A 77 TYR N A 77 TYR CA A 77 TYR C A 78 PHE N 1.0 103.44 183.44 PSI 93 93 A 77 TYR C A 78 PHE N A 78 PHE CA A 78 PHE C 1.0 -165.42 -105.42 PHI 94 94 A 78 PHE N A 78 PHE CA A 78 PHE C A 79 GLU N 1.0 108.80 188.80 PSI 95 95 A 78 PHE C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -162.06 -102.06 PHI 96 96 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 THR N 1.0 106.51 186.51 PSI 97 97 A 79 GLU C A 80 THR N A 80 THR CA A 80 THR C 1.0 -111.71 -51.71 PHI 98 98 A 80 THR N A 80 THR CA A 80 THR C A 81 LEU N 1.0 130.21 210.21 PSI 99 99 A 80 THR C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -96.67 -36.67 PHI 100 100 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 ASP N 1.0 -57.86 22.14 PSI 101 101 A 84 VAL C A 85 ARG N A 85 ARG CA A 85 ARG C 1.0 -135.71 -75.71 PHI 102 102 A 85 ARG N A 85 ARG CA A 85 ARG C A 86 VAL N 1.0 82.24 162.24 PSI 103 103 A 85 ARG C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -136.42 -76.42 PHI 104 104 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 VAL N 1.0 86.63 166.63 PSI 105 105 A 86 VAL C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -146.49 -86.49 PHI 106 106 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 THR N 1.0 101.35 181.35 PSI 107 107 A 88 THR C A 89 ASP N A 89 ASP CA A 89 ASP C 1.0 -101.80 -41.80 PHI 108 108 A 89 ASP N A 89 ASP CA A 89 ASP C A 90 TYR N 1.0 80.55 160.55 PSI 109 109 A 89 ASP C A 90 TYR N A 90 TYR CA A 90 TYR C 1.0 -89.31 -29.31 PHI 110 110 A 90 TYR N A 90 TYR CA A 90 TYR C A 91 SER N 1.0 -87.45 -7.45 PSI 111 111 A 90 TYR C A 91 SER N A 91 SER CA A 91 SER C 1.0 -91.31 -31.31 PHI 112 112 A 91 SER N A 91 SER CA A 91 SER C A 92 GLU N 1.0 -81.95 -1.95 PSI 113 113 A 91 SER C A 92 GLU N A 92 GLU CA A 92 GLU C 1.0 -97.41 -37.41 PHI 114 114 A 92 GLU N A 92 GLU CA A 92 GLU C A 93 PHE N 1.0 -79.19 0.81 PSI 115 115 A 92 GLU C A 93 PHE N A 93 PHE CA A 93 PHE C 1.0 -94.70 -34.70 PHI 116 116 A 93 PHE N A 93 PHE CA A 93 PHE C A 94 GLN N 1.0 -84.07 -4.07 PSI 117 117 A 93 PHE C A 94 GLN N A 94 GLN CA A 94 GLN C 1.0 -93.00 -33.00 PHI 118 118 A 94 GLN N A 94 GLN CA A 94 GLN C A 95 LYS N 1.0 -79.03 0.97 PSI 119 119 A 94 GLN C A 95 LYS N A 95 LYS CA A 95 LYS C 1.0 -92.81 -32.81 PHI 120 120 A 95 LYS N A 95 LYS CA A 95 LYS C A 96 ILE N 1.0 -77.89 2.11 PSI 121 121 A 95 LYS C A 96 ILE N A 96 ILE CA A 96 ILE C 1.0 -97.29 -37.29 PHI 122 122 A 96 ILE N A 96 ILE CA A 96 ILE C A 97 LEU N 1.0 -84.88 -4.88 PSI 123 123 A 96 ILE C A 97 LEU N A 97 LEU CA A 97 LEU C 1.0 -90.64 -30.64 PHI 124 124 A 97 LEU N A 97 LEU CA A 97 LEU C A 98 LYS N 1.0 -81.78 -1.78 PSI 125 125 A 97 LEU C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -95.77 -35.77 PHI 126 126 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 LYS N 1.0 -77.24 2.76 PSI 127 127 A 98 LYS C A 99 LYS N A 99 LYS CA A 99 LYS C 1.0 -99.41 -39.41 PHI 128 128 A 99 LYS N A 99 LYS CA A 99 LYS C A 100 ARG N 1.0 -75.63 4.37 PSI 129 129 A 99 LYS C A 100 ARG N A 100 ARG CA A 100 ARG C 1.0 -116.18 -56.18 PHI 130 130 A 100 ARG N A 100 ARG CA A 100 ARG C A 101 GLY N 1.0 -54.70 25.30 PSI stop_ save_