data_nef_c16338_2kjr 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 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 GLY middle . false 12 A 12 LYS middle . . 13 A 13 SER middle . . 14 A 14 ASP middle . . 15 A 15 PHE middle . . 16 A 16 ILE middle . . 17 A 17 LYS middle . . 18 A 18 VAL middle . . 19 A 19 ASN middle . . 20 A 20 VAL middle . . 21 A 21 SER middle . . 22 A 22 ASN middle . . 23 A 23 SER middle . . 24 A 24 HIS middle . . 25 A 25 ASN middle . . 26 A 26 ASP middle . . 27 A 27 ALA middle . . 28 A 28 VAL middle . . 29 A 29 ALA middle . . 30 A 30 PHE middle . . 31 A 31 GLU middle . . 32 A 32 VAL middle . . 33 A 33 LYS middle . . 34 A 34 LEU middle . . 35 A 35 ALA middle . . 36 A 36 LYS middle . . 37 A 37 ASP middle . . 38 A 38 LEU middle . . 39 A 39 THR middle . . 40 A 40 VAL middle . . 41 A 41 ALA middle . . 42 A 42 GLN middle . . 43 A 43 LEU middle . . 44 A 44 LYS middle . . 45 A 45 THR middle . . 46 A 46 LYS middle . . 47 A 47 LEU middle . . 48 A 48 GLU middle . . 49 A 49 ILE middle . . 50 A 50 LEU middle . . 51 A 51 THR middle . . 52 A 52 GLY middle . false 53 A 53 GLY middle . false 54 A 54 CYS middle . . 55 A 55 ALA middle . . 56 A 56 GLY middle . false 57 A 57 THR middle . . 58 A 58 MET middle . . 59 A 59 LYS middle . . 60 A 60 VAL middle . . 61 A 61 GLN middle . . 62 A 62 VAL middle . . 63 A 63 PHE middle . . 64 A 64 LYS middle . . 65 A 65 GLY middle . false 66 A 66 ASP middle . . 67 A 67 THR middle . . 68 A 68 CYS middle . . 69 A 69 VAL middle . . 70 A 70 SER middle . . 71 A 71 THR middle . . 72 A 72 MET middle . . 73 A 73 ASP middle . . 74 A 74 ASN middle . . 75 A 75 ASN middle . . 76 A 76 ASP middle . . 77 A 77 ALA middle . . 78 A 78 GLN middle . . 79 A 79 LEU middle . . 80 A 80 GLY middle . false 81 A 81 TYR middle . . 82 A 82 TYR middle . . 83 A 83 ALA middle . . 84 A 84 ASN middle . . 85 A 85 SER middle . . 86 A 86 ASP middle . . 87 A 87 GLY middle . false 88 A 88 LEU middle . . 89 A 89 ARG middle . . 90 A 90 LEU middle . . 91 A 91 HIS middle . . 92 A 92 VAL middle . . 93 A 93 VAL middle . . 94 A 94 ASP middle . . 95 A 95 SER 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 11 GLY C C 13 174.1 0.2 A 11 GLY CA C 13 45.3 0.2 A 12 LYS H H 1 8.18 0.02 A 12 LYS HA H 1 4.32 0.02 A 12 LYS HBx H 1 1.72 0.02 A 12 LYS HBy H 1 1.81 0.02 A 12 LYS HDx H 1 1.63 0.02 A 12 LYS HDy H 1 1.63 0.02 A 12 LYS HEx H 1 2.91 0.02 A 12 LYS HEy H 1 2.91 0.02 A 12 LYS HGx H 1 1.35 0.02 A 12 LYS HGy H 1 1.40 0.02 A 12 LYS C C 13 176.7 0.2 A 12 LYS CA C 13 56.4 0.2 A 12 LYS CB C 13 33.2 0.2 A 12 LYS CD C 13 29.1 0.2 A 12 LYS CE C 13 42.1 0.2 A 12 LYS CG C 13 24.7 0.2 A 12 LYS N N 15 120.6 0.2 A 13 SER H H 1 8.36 0.02 A 13 SER HA H 1 4.45 0.02 A 13 SER HBx H 1 3.71 0.02 A 13 SER HBy H 1 3.71 0.02 A 13 SER C C 13 173.8 0.2 A 13 SER CA C 13 58.0 0.2 A 13 SER CB C 13 63.9 0.2 A 13 SER N N 15 116.3 0.2 A 14 ASP H H 1 8.45 0.02 A 14 ASP HA H 1 4.67 0.02 A 14 ASP HBx H 1 2.47 0.02 A 14 ASP HBy H 1 2.59 0.02 A 14 ASP C C 13 175.1 0.2 A 14 ASP CA C 13 54.4 0.2 A 14 ASP CB C 13 41.5 0.2 A 14 ASP N N 15 122.4 0.2 A 15 PHE H H 1 8.11 0.02 A 15 PHE HA H 1 5.29 0.02 A 15 PHE HBx H 1 2.79 0.02 A 15 PHE HBy H 1 2.79 0.02 A 15 PHE HDx H 1 6.99 0.02 A 15 PHE HDy H 1 6.99 0.02 A 15 PHE HEx H 1 7.32 0.02 A 15 PHE HEy H 1 7.32 0.02 A 15 PHE HZ H 1 7.31 0.02 A 15 PHE C C 13 175.0 0.2 A 15 PHE CA C 13 56.6 0.2 A 15 PHE CB C 13 42.6 0.2 A 15 PHE CDx C 13 131.8 0.02 A 15 PHE CDy C 13 131.8 0.02 A 15 PHE CEx C 13 131.8 0.02 A 15 PHE CEy C 13 131.8 0.02 A 15 PHE CZ C 13 130.0 0.2 A 15 PHE N N 15 118.5 0.2 A 16 ILE H H 1 9.16 0.02 A 16 ILE HA H 1 4.71 0.02 A 16 ILE HB H 1 1.58 0.02 A 16 ILE HD1% H 1 0.64 0.02 A 16 ILE HG1x H 1 0.97 0.02 A 16 ILE HG1y H 1 1.34 0.02 A 16 ILE HG2% H 1 0.67 0.02 A 16 ILE C C 13 173.4 0.2 A 16 ILE CA C 13 59.3 0.2 A 16 ILE CB C 13 42.1 0.2 A 16 ILE CD1 C 13 14.3 0.2 A 16 ILE CG1 C 13 25.9 0.2 A 16 ILE CG2 C 13 17.5 0.2 A 16 ILE N N 15 116.7 0.2 A 17 LYS H H 1 8.53 0.02 A 17 LYS HA H 1 5.22 0.02 A 17 LYS HBx H 1 1.45 0.02 A 17 LYS HBy H 1 1.55 0.02 A 17 LYS HDx H 1 1.60 0.02 A 17 LYS HDy H 1 1.60 0.02 A 17 LYS HEx H 1 2.89 0.02 A 17 LYS HEy H 1 2.89 0.02 A 17 LYS HGx H 1 1.12 0.02 A 17 LYS HGy H 1 1.32 0.02 A 17 LYS C C 13 176.4 0.2 A 17 LYS CA C 13 54.9 0.2 A 17 LYS CB C 13 34.1 0.2 A 17 LYS CD C 13 29.6 0.2 A 17 LYS CE C 13 41.7 0.2 A 17 LYS CG C 13 25.1 0.2 A 17 LYS N N 15 123.2 0.2 A 18 VAL H H 1 8.90 0.02 A 18 VAL HA H 1 4.99 0.02 A 18 VAL HB H 1 2.23 0.02 A 18 VAL HG1% H 1 0.79 0.02 A 18 VAL HG2% H 1 0.64 0.02 A 18 VAL C C 13 174.3 0.2 A 18 VAL CA C 13 58.6 0.2 A 18 VAL CB C 13 35.6 0.2 A 18 VAL CG1 C 13 22.0 0.02 A 18 VAL CG2 C 13 18.9 0.02 A 18 VAL N N 15 117.5 0.2 A 19 ASN H H 1 7.83 0.02 A 19 ASN HA H 1 5.78 0.02 A 19 ASN HBx H 1 2.43 0.02 A 19 ASN HBy H 1 2.43 0.02 A 19 ASN HD21 H 1 7.78 0.02 A 19 ASN HD22 H 1 7.12 0.02 A 19 ASN C C 13 175.3 0.2 A 19 ASN CA C 13 51.0 0.2 A 19 ASN CB C 13 39.5 0.2 A 19 ASN CG C 13 175.8 0.2 A 19 ASN N N 15 117.7 0.2 A 19 ASN ND2 N 15 113.0 0.2 A 20 VAL H H 1 9.14 0.02 A 20 VAL HA H 1 5.48 0.02 A 20 VAL HB H 1 1.85 0.02 A 20 VAL HG1% H 1 0.88 0.02 A 20 VAL HG2% H 1 0.75 0.02 A 20 VAL C C 13 174.9 0.2 A 20 VAL CA C 13 61.1 0.2 A 20 VAL CB C 13 35.0 0.2 A 20 VAL CG1 C 13 22.0 0.02 A 20 VAL CG2 C 13 21.2 0.02 A 20 VAL N N 15 120.6 0.2 A 21 SER H H 1 9.70 0.02 A 21 SER HA H 1 4.93 0.02 A 21 SER HBx H 1 3.51 0.02 A 21 SER HBy H 1 4.49 0.02 A 21 SER C C 13 172.9 0.2 A 21 SER CA C 13 57.3 0.2 A 21 SER CB C 13 66.9 0.2 A 21 SER N N 15 125.6 0.2 A 22 ASN H H 1 9.80 0.02 A 22 ASN HA H 1 5.24 0.02 A 22 ASN HBx H 1 2.45 0.02 A 22 ASN HBy H 1 2.65 0.02 A 22 ASN HD2y H 1 7.36 0.02 A 22 ASN HD2x H 1 7.27 0.02 A 22 ASN C C 13 174.2 0.2 A 22 ASN CA C 13 53.5 0.2 A 22 ASN CB C 13 43.0 0.2 A 22 ASN CG C 13 175.5 0.2 A 22 ASN N N 15 116.1 0.2 A 22 ASN ND2 N 15 114.5 0.2 A 23 SER H H 1 8.20 0.02 A 23 SER HA H 1 4.37 0.02 A 23 SER HBx H 1 3.74 0.02 A 23 SER HBy H 1 4.28 0.02 A 23 SER CA C 13 59.7 0.2 A 23 SER CB C 13 64.5 0.2 A 23 SER N N 15 111.8 0.2 A 24 HIS H H 1 9.07 0.02 A 24 HIS HA H 1 4.79 0.02 A 24 HIS HBx H 1 3.09 0.02 A 24 HIS HBy H 1 3.25 0.02 A 24 HIS HD2 H 1 7.00 0.02 A 24 HIS HE1 H 1 7.14 0.02 A 24 HIS C C 13 175.1 0.2 A 24 HIS CA C 13 57.0 0.2 A 24 HIS CB C 13 31.3 0.2 A 24 HIS CD2 C 13 119.2 0.2 A 24 HIS CE1 C 13 137.7 0.2 A 24 HIS N N 15 121.9 0.2 A 24 HIS NE2 N 15 175.8 0.2 A 25 ASN H H 1 8.42 0.02 A 25 ASN HA H 1 4.71 0.02 A 25 ASN HBx H 1 2.92 0.02 A 25 ASN HBy H 1 3.05 0.02 A 25 ASN HD21 H 1 7.67 0.02 A 25 ASN HD22 H 1 7.14 0.02 A 25 ASN C C 13 173.9 0.2 A 25 ASN CA C 13 52.8 0.2 A 25 ASN CB C 13 39.5 0.2 A 25 ASN CG C 13 176.6 0.2 A 25 ASN N N 15 119.3 0.2 A 25 ASN ND2 N 15 114.4 0.2 A 26 ASP H H 1 8.13 0.02 A 26 ASP HA H 1 4.66 0.02 A 26 ASP HBx H 1 2.71 0.02 A 26 ASP HBy H 1 2.71 0.02 A 26 ASP C C 13 176.3 0.2 A 26 ASP CA C 13 53.6 0.2 A 26 ASP CB C 13 40.9 0.2 A 26 ASP N N 15 115.8 0.2 A 27 ALA H H 1 8.33 0.02 A 27 ALA HA H 1 4.21 0.02 A 27 ALA HB% H 1 1.28 0.02 A 27 ALA C C 13 178.5 0.2 A 27 ALA CA C 13 53.1 0.2 A 27 ALA CB C 13 19.2 0.2 A 27 ALA N N 15 124.5 0.2 A 28 VAL H H 1 8.31 0.02 A 28 VAL HA H 1 4.36 0.02 A 28 VAL HB H 1 1.59 0.02 A 28 VAL HG1% H 1 0.20 0.02 A 28 VAL HG2% H 1 0.75 0.02 A 28 VAL CA C 13 61.0 0.2 A 28 VAL CB C 13 35.0 0.2 A 28 VAL CG1 C 13 20.8 0.02 A 28 VAL CG2 C 13 21.6 0.02 A 28 VAL N N 15 124.5 0.2 A 29 ALA H H 1 8.46 0.02 A 29 ALA HA H 1 4.59 0.02 A 29 ALA HB% H 1 1.23 0.02 A 29 ALA C C 13 175.8 0.2 A 29 ALA CA C 13 50.4 0.2 A 29 ALA CB C 13 20.1 0.2 A 30 PHE H H 1 8.64 0.02 A 30 PHE HA H 1 4.87 0.02 A 30 PHE HBx H 1 2.85 0.02 A 30 PHE HBy H 1 3.02 0.02 A 30 PHE HD1 H 1 7.21 0.02 A 30 PHE HD2 H 1 7.21 0.02 A 30 PHE HE1 H 1 7.21 0.02 A 30 PHE HE2 H 1 7.21 0.02 A 30 PHE HZ H 1 7.21 0.02 A 30 PHE C C 13 175.8 0.2 A 30 PHE CA C 13 57.3 0.2 A 30 PHE CB C 13 41.6 0.2 A 30 PHE CD1 C 13 131.8 0.02 A 30 PHE CD2 C 13 131.8 0.02 A 30 PHE CE1 C 13 131.8 0.02 A 30 PHE CE2 C 13 131.8 0.02 A 30 PHE CZ C 13 129.8 0.2 A 30 PHE N N 15 122.1 0.2 A 31 GLU H H 1 8.67 0.02 A 31 GLU HA H 1 3.53 0.02 A 31 GLU HBx H 1 1.97 0.02 A 31 GLU HBy H 1 2.05 0.02 A 31 GLU HGx H 1 2.06 0.02 A 31 GLU HGy H 1 2.14 0.02 A 31 GLU C C 13 174.7 0.2 A 31 GLU CA C 13 57.2 0.2 A 31 GLU CB C 13 27.6 0.2 A 31 GLU CG C 13 37.2 0.2 A 31 GLU N N 15 118.9 0.2 A 32 VAL H H 1 9.10 0.02 A 32 VAL HA H 1 3.77 0.02 A 32 VAL HB H 1 1.91 0.02 A 32 VAL HG1% H 1 0.77 0.02 A 32 VAL HG2% H 1 0.69 0.02 A 32 VAL C C 13 175.4 0.2 A 32 VAL CA C 13 62.9 0.2 A 32 VAL CB C 13 32.2 0.2 A 32 VAL CG1 C 13 22.0 0.02 A 32 VAL CG2 C 13 20.8 0.02 A 32 VAL N N 15 122.3 0.2 A 33 LYS H H 1 8.33 0.02 A 33 LYS HA H 1 4.98 0.02 A 33 LYS HBx H 1 1.51 0.02 A 33 LYS HBy H 1 1.51 0.02 A 33 LYS HDx H 1 1.24 0.02 A 33 LYS HDy H 1 1.24 0.02 A 33 LYS HEx H 1 2.26 0.02 A 33 LYS HEy H 1 2.26 0.02 A 33 LYS HGy H 1 1.21 0.02 A 33 LYS HGx H 1 0.97 0.02 A 33 LYS C C 13 176.3 0.2 A 33 LYS CA C 13 55.7 0.2 A 33 LYS CB C 13 33.5 0.2 A 33 LYS CD C 13 29.4 0.2 A 33 LYS CE C 13 41.3 0.2 A 33 LYS CG C 13 25.4 0.2 A 33 LYS N N 15 128.3 0.2 A 34 LEU H H 1 9.14 0.02 A 34 LEU HA H 1 4.75 0.02 A 34 LEU HBx H 1 1.19 0.02 A 34 LEU HBy H 1 1.43 0.02 A 34 LEU HD1% H 1 0.59 0.02 A 34 LEU HD2% H 1 0.70 0.02 A 34 LEU HG H 1 1.41 0.02 A 34 LEU C C 13 175.0 0.2 A 34 LEU CA C 13 52.9 0.2 A 34 LEU CB C 13 46.7 0.2 A 34 LEU CD1 C 13 27.5 0.02 A 34 LEU CD2 C 13 23.0 0.02 A 34 LEU CG C 13 26.1 0.2 A 34 LEU N N 15 126.7 0.2 A 35 ALA H H 1 8.65 0.02 A 35 ALA HA H 1 4.10 0.02 A 35 ALA HB% H 1 1.34 0.02 A 35 ALA C C 13 178.0 0.2 A 35 ALA CA C 13 52.3 0.2 A 35 ALA CB C 13 19.1 0.2 A 35 ALA N N 15 126.6 0.2 A 36 LYS H H 1 8.23 0.02 A 36 LYS HA H 1 3.71 0.02 A 36 LYS HBx H 1 1.61 0.02 A 36 LYS HBy H 1 1.77 0.02 A 36 LYS HDx H 1 1.63 0.02 A 36 LYS HDy H 1 1.63 0.02 A 36 LYS HEx H 1 2.71 0.02 A 36 LYS HEy H 1 2.71 0.02 A 36 LYS HGx H 1 1.23 0.02 A 36 LYS HGy H 1 1.28 0.02 A 36 LYS C C 13 176.0 0.2 A 36 LYS CA C 13 59.8 0.2 A 36 LYS CB C 13 33.2 0.2 A 36 LYS CD C 13 29.8 0.2 A 36 LYS CE C 13 42.3 0.2 A 36 LYS CG C 13 27.9 0.2 A 36 LYS N N 15 119.2 0.2 A 37 ASP H H 1 8.06 0.02 A 37 ASP HA H 1 4.47 0.02 A 37 ASP HBx H 1 2.42 0.02 A 37 ASP HBy H 1 2.84 0.02 A 37 ASP C C 13 176.8 0.2 A 37 ASP CA C 13 53.0 0.2 A 37 ASP CB C 13 39.7 0.2 A 37 ASP N N 15 112.7 0.2 A 38 LEU H H 1 7.17 0.02 A 38 LEU HA H 1 4.28 0.02 A 38 LEU HBx H 1 1.63 0.02 A 38 LEU HBy H 1 1.70 0.02 A 38 LEU HD1% H 1 0.99 0.02 A 38 LEU HD2% H 1 0.87 0.02 A 38 LEU HG H 1 2.03 0.02 A 38 LEU C C 13 177.6 0.2 A 38 LEU CA C 13 55.8 0.2 A 38 LEU CB C 13 43.9 0.2 A 38 LEU CD1 C 13 26.6 0.02 A 38 LEU CD2 C 13 24.6 0.02 A 38 LEU CG C 13 26.8 0.2 A 38 LEU N N 15 122.1 0.2 A 39 THR H H 1 8.43 0.02 A 39 THR HA H 1 5.01 0.02 A 39 THR HB H 1 4.68 0.02 A 39 THR HG1 H 1 5.71 0.02 A 39 THR HG2% H 1 1.26 0.02 A 39 THR C C 13 176.5 0.2 A 39 THR CA C 13 60.9 0.2 A 39 THR CB C 13 71.2 0.2 A 39 THR CG2 C 13 22.2 0.2 A 39 THR N N 15 112.8 0.2 A 40 VAL H H 1 8.74 0.02 A 40 VAL HA H 1 3.53 0.02 A 40 VAL HB H 1 2.45 0.02 A 40 VAL HG1% H 1 0.85 0.02 A 40 VAL HG2% H 1 1.14 0.02 A 40 VAL C C 13 178.2 0.2 A 40 VAL CA C 13 67.3 0.2 A 40 VAL CB C 13 31.6 0.2 A 40 VAL CG1 C 13 21.7 0.02 A 40 VAL CG2 C 13 24.6 0.02 A 40 VAL N N 15 123.6 0.2 A 41 ALA H H 1 8.52 0.02 A 41 ALA HA H 1 3.95 0.02 A 41 ALA HB% H 1 1.40 0.02 A 41 ALA C C 13 180.7 0.2 A 41 ALA CA C 13 56.1 0.2 A 41 ALA CB C 13 18.8 0.2 A 41 ALA N N 15 121.4 0.2 A 42 GLN H H 1 7.74 0.02 A 42 GLN HA H 1 4.06 0.02 A 42 GLN HBx H 1 1.95 0.02 A 42 GLN HBy H 1 2.43 0.02 A 42 GLN HE21 H 1 7.49 0.02 A 42 GLN HE22 H 1 6.86 0.02 A 42 GLN HGx H 1 2.41 0.02 A 42 GLN HGy H 1 2.45 0.02 A 42 GLN C C 13 180.3 0.2 A 42 GLN CA C 13 58.6 0.2 A 42 GLN CB C 13 29.2 0.2 A 42 GLN CD C 13 180.0 0.2 A 42 GLN CG C 13 34.6 0.2 A 42 GLN N N 15 117.5 0.2 A 42 GLN NE2 N 15 111.1 0.2 A 43 LEU H H 1 9.21 0.02 A 43 LEU HA H 1 3.94 0.02 A 43 LEU HBx H 1 1.42 0.02 A 43 LEU HBy H 1 2.51 0.02 A 43 LEU HD1% H 1 0.84 0.02 A 43 LEU HD2% H 1 0.96 0.02 A 43 LEU HG H 1 1.44 0.02 A 43 LEU C C 13 178.3 0.2 A 43 LEU CA C 13 57.9 0.2 A 43 LEU CB C 13 41.3 0.2 A 43 LEU CD1 C 13 24.5 0.02 A 43 LEU CD2 C 13 27.8 0.02 A 43 LEU CG C 13 27.2 0.2 A 43 LEU N N 15 123.0 0.2 A 44 LYS H H 1 8.74 0.02 A 44 LYS HA H 1 3.86 0.02 A 44 LYS HBx H 1 1.89 0.02 A 44 LYS HBy H 1 2.00 0.02 A 44 LYS HDx H 1 1.61 0.02 A 44 LYS HDy H 1 1.89 0.02 A 44 LYS HEx H 1 2.69 0.02 A 44 LYS HEy H 1 2.69 0.02 A 44 LYS HGx H 1 1.10 0.02 A 44 LYS HGy H 1 1.74 0.02 A 44 LYS C C 13 178.3 0.2 A 44 LYS CA C 13 61.1 0.2 A 44 LYS CB C 13 32.8 0.2 A 44 LYS CD C 13 30.1 0.2 A 44 LYS CE C 13 42.5 0.2 A 44 LYS CG C 13 26.7 0.2 A 44 LYS N N 15 119.3 0.2 A 45 THR H H 1 7.44 0.02 A 45 THR HA H 1 3.93 0.02 A 45 THR HB H 1 4.23 0.02 A 45 THR HG2% H 1 1.27 0.02 A 45 THR C C 13 176.7 0.2 A 45 THR CA C 13 67.1 0.2 A 45 THR CB C 13 68.8 0.2 A 45 THR CG2 C 13 22.1 0.2 A 45 THR N N 15 114.0 0.2 A 46 LYS H H 1 7.50 0.02 A 46 LYS HA H 1 4.10 0.02 A 46 LYS HBx H 1 1.86 0.02 A 46 LYS HBy H 1 2.02 0.02 A 46 LYS HDx H 1 1.60 0.02 A 46 LYS HDy H 1 1.60 0.02 A 46 LYS HEx H 1 2.90 0.02 A 46 LYS HEy H 1 3.01 0.02 A 46 LYS HGx H 1 1.48 0.02 A 46 LYS HGy H 1 1.57 0.02 A 46 LYS C C 13 179.7 0.2 A 46 LYS CA C 13 59.4 0.2 A 46 LYS CB C 13 32.1 0.2 A 46 LYS CD C 13 29.2 0.2 A 46 LYS CE C 13 41.9 0.2 A 46 LYS CG C 13 25.1 0.2 A 46 LYS N N 15 121.7 0.2 A 47 LEU H H 1 9.01 0.02 A 47 LEU HA H 1 4.04 0.02 A 47 LEU HBx H 1 1.16 0.02 A 47 LEU HBy H 1 1.90 0.02 A 47 LEU HD1% H 1 0.72 0.02 A 47 LEU HD2% H 1 0.70 0.02 A 47 LEU HG H 1 1.87 0.02 A 47 LEU C C 13 180.0 0.2 A 47 LEU CA C 13 57.2 0.2 A 47 LEU CB C 13 40.7 0.2 A 47 LEU CD1 C 13 26.8 0.02 A 47 LEU CD2 C 13 22.3 0.02 A 47 LEU CG C 13 26.2 0.2 A 47 LEU N N 15 118.0 0.2 A 48 GLU H H 1 8.45 0.02 A 48 GLU HA H 1 4.05 0.02 A 48 GLU HBx H 1 2.18 0.02 A 48 GLU HBy H 1 2.18 0.02 A 48 GLU HGx H 1 2.05 0.02 A 48 GLU HGy H 1 2.57 0.02 A 48 GLU C C 13 178.8 0.2 A 48 GLU CA C 13 59.7 0.2 A 48 GLU CB C 13 29.4 0.2 A 48 GLU CG C 13 36.0 0.2 A 48 GLU N N 15 126.3 0.2 A 49 ILE H H 1 7.18 0.02 A 49 ILE HA H 1 3.78 0.02 A 49 ILE HB H 1 1.99 0.02 A 49 ILE HD1% H 1 0.88 0.02 A 49 ILE HG1x H 1 1.25 0.02 A 49 ILE HG1y H 1 1.72 0.02 A 49 ILE HG2% H 1 0.91 0.02 A 49 ILE C C 13 178.0 0.2 A 49 ILE CA C 13 64.0 0.2 A 49 ILE CB C 13 38.1 0.2 A 49 ILE CD1 C 13 13.0 0.2 A 49 ILE CG1 C 13 28.9 0.2 A 49 ILE CG2 C 13 17.3 0.2 A 49 ILE N N 15 119.6 0.2 A 50 LEU H H 1 7.52 0.02 A 50 LEU HA H 1 4.16 0.02 A 50 LEU HBx H 1 1.48 0.02 A 50 LEU HBy H 1 1.71 0.02 A 50 LEU HD1% H 1 0.82 0.02 A 50 LEU HD2% H 1 0.80 0.02 A 50 LEU HG H 1 1.65 0.02 A 50 LEU C C 13 178.4 0.2 A 50 LEU CA C 13 57.5 0.2 A 50 LEU CB C 13 44.3 0.2 A 50 LEU CD1 C 13 25.0 0.02 A 50 LEU CD2 C 13 23.9 0.02 A 50 LEU CG C 13 27.0 0.2 A 50 LEU N N 15 116.8 0.2 A 51 THR H H 1 8.16 0.02 A 51 THR HA H 1 4.49 0.02 A 51 THR HB H 1 4.13 0.02 A 51 THR HG2% H 1 1.12 0.02 A 51 THR C C 13 175.6 0.2 A 51 THR CA C 13 62.4 0.2 A 51 THR CB C 13 72.9 0.2 A 51 THR CG2 C 13 21.5 0.2 A 51 THR N N 15 104.1 0.2 A 52 GLY H H 1 8.08 0.02 A 52 GLY HAx H 1 3.83 0.02 A 52 GLY HAy H 1 4.25 0.02 A 52 GLY C C 13 174.8 0.2 A 52 GLY CA C 13 45.5 0.2 A 52 GLY N N 15 112.1 0.2 A 53 GLY H H 1 7.88 0.02 A 53 GLY HAx H 1 3.22 0.02 A 53 GLY HAy H 1 4.04 0.02 A 53 GLY C C 13 170.9 0.2 A 53 GLY CA C 13 44.3 0.2 A 53 GLY N N 15 107.0 0.2 A 54 CYS H H 1 8.69 0.02 A 54 CYS HA H 1 4.43 0.02 A 54 CYS HBx H 1 2.85 0.02 A 54 CYS HBy H 1 2.98 0.02 A 54 CYS C C 13 176.1 0.2 A 54 CYS CA C 13 57.9 0.2 A 54 CYS CB C 13 27.8 0.2 A 54 CYS N N 15 120.2 0.2 A 55 ALA H H 1 10.10 0.02 A 55 ALA HA H 1 3.89 0.02 A 55 ALA HB% H 1 1.34 0.02 A 55 ALA C C 13 178.9 0.2 A 55 ALA CA C 13 55.7 0.2 A 55 ALA CB C 13 18.5 0.2 A 55 ALA N N 15 133.9 0.2 A 56 GLY H H 1 8.38 0.02 A 56 GLY HAx H 1 3.91 0.02 A 56 GLY HAy H 1 3.91 0.02 A 56 GLY C C 13 174.6 0.2 A 56 GLY CA C 13 45.9 0.2 A 56 GLY N N 15 104.3 0.2 A 57 THR H H 1 7.31 0.02 A 57 THR HA H 1 4.52 0.02 A 57 THR HB H 1 4.38 0.02 A 57 THR HG2% H 1 1.04 0.02 A 57 THR C C 13 175.5 0.2 A 57 THR CA C 13 61.4 0.2 A 57 THR CB C 13 69.9 0.2 A 57 THR CG2 C 13 21.6 0.2 A 57 THR N N 15 107.7 0.2 A 58 MET H H 1 7.91 0.02 A 58 MET HA H 1 4.54 0.02 A 58 MET HBx H 1 1.78 0.02 A 58 MET HBy H 1 2.11 0.02 A 58 MET HE% H 1 1.50 0.02 A 58 MET HGx H 1 1.86 0.02 A 58 MET HGy H 1 2.71 0.02 A 58 MET C C 13 175.1 0.2 A 58 MET CA C 13 56.9 0.2 A 58 MET CB C 13 33.7 0.2 A 58 MET CE C 13 13.8 0.2 A 58 MET CG C 13 29.2 0.2 A 58 MET N N 15 120.7 0.2 A 59 LYS H H 1 8.78 0.02 A 59 LYS HA H 1 4.61 0.02 A 59 LYS HBx H 1 1.63 0.02 A 59 LYS HBy H 1 1.63 0.02 A 59 LYS HDx H 1 1.63 0.02 A 59 LYS HDy H 1 1.63 0.02 A 59 LYS HEx H 1 2.88 0.02 A 59 LYS HEy H 1 2.88 0.02 A 59 LYS HGx H 1 1.29 0.02 A 59 LYS HGy H 1 1.40 0.02 A 59 LYS C C 13 174.5 0.2 A 59 LYS CA C 13 54.5 0.2 A 59 LYS CB C 13 34.7 0.2 A 59 LYS CD C 13 29.3 0.2 A 59 LYS CE C 13 42.0 0.2 A 59 LYS CG C 13 24.9 0.2 A 59 LYS N N 15 122.4 0.2 A 60 VAL H H 1 8.74 0.02 A 60 VAL HA H 1 4.70 0.02 A 60 VAL HB H 1 1.81 0.02 A 60 VAL HG1% H 1 0.75 0.02 A 60 VAL HG2% H 1 0.66 0.02 A 60 VAL C C 13 175.0 0.2 A 60 VAL CA C 13 61.3 0.2 A 60 VAL CB C 13 33.4 0.2 A 60 VAL CG1 C 13 22.6 0.02 A 60 VAL CG2 C 13 21.4 0.02 A 60 VAL N N 15 122.1 0.2 A 61 GLN H H 1 9.25 0.02 A 61 GLN HA H 1 4.79 0.02 A 61 GLN HBx H 1 2.05 0.02 A 61 GLN HBy H 1 2.49 0.02 A 61 GLN HE21 H 1 7.14 0.02 A 61 GLN HE22 H 1 6.53 0.02 A 61 GLN HGx H 1 2.21 0.02 A 61 GLN HGy H 1 2.36 0.02 A 61 GLN C C 13 174.7 0.2 A 61 GLN CA C 13 54.2 0.2 A 61 GLN CB C 13 32.8 0.2 A 61 GLN CD C 13 178.3 0.2 A 61 GLN CG C 13 34.4 0.2 A 61 GLN N N 15 126.4 0.2 A 61 GLN NE2 N 15 108.3 0.2 A 62 VAL H H 1 8.69 0.02 A 62 VAL HA H 1 4.65 0.02 A 62 VAL HB H 1 2.09 0.02 A 62 VAL HG1% H 1 0.81 0.02 A 62 VAL HG2% H 1 0.62 0.02 A 62 VAL C C 13 174.7 0.2 A 62 VAL CA C 13 61.8 0.2 A 62 VAL CB C 13 32.5 0.2 A 62 VAL CG1 C 13 22.5 0.02 A 62 VAL CG2 C 13 22.3 0.02 A 62 VAL N N 15 121.7 0.2 A 63 PHE H H 1 10.02 0.02 A 63 PHE HA H 1 5.17 0.02 A 63 PHE HBx H 1 2.81 0.02 A 63 PHE HBy H 1 2.90 0.02 A 63 PHE HDx H 1 6.77 0.02 A 63 PHE HDy H 1 6.77 0.02 A 63 PHE HEx H 1 7.21 0.02 A 63 PHE HEy H 1 7.21 0.02 A 63 PHE HZ H 1 7.09 0.02 A 63 PHE C C 13 175.1 0.2 A 63 PHE CA C 13 56.8 0.2 A 63 PHE CB C 13 42.9 0.2 A 63 PHE CDx C 13 130.7 0.02 A 63 PHE CDy C 13 130.7 0.02 A 63 PHE CEx C 13 131.7 0.02 A 63 PHE CEy C 13 131.7 0.02 A 63 PHE CZ C 13 129.4 0.2 A 63 PHE N N 15 127.1 0.2 A 64 LYS H H 1 8.71 0.02 A 64 LYS HA H 1 4.65 0.02 A 64 LYS HBx H 1 1.38 0.02 A 64 LYS HBy H 1 1.86 0.02 A 64 LYS HDx H 1 1.62 0.02 A 64 LYS HDy H 1 1.62 0.02 A 64 LYS HEx H 1 2.92 0.02 A 64 LYS HEy H 1 2.92 0.02 A 64 LYS HGx H 1 1.28 0.02 A 64 LYS HGy H 1 1.39 0.02 A 64 LYS C C 13 176.9 0.2 A 64 LYS CA C 13 55.1 0.2 A 64 LYS CB C 13 34.1 0.2 A 64 LYS CD C 13 29.5 0.2 A 64 LYS CE C 13 42.2 0.2 A 64 LYS CG C 13 25.0 0.2 A 64 LYS N N 15 123.9 0.2 A 65 GLY H H 1 9.16 0.02 A 65 GLY HAx H 1 3.68 0.02 A 65 GLY HAy H 1 4.05 0.02 A 65 GLY C C 13 174.6 0.2 A 65 GLY CA C 13 47.2 0.2 A 65 GLY N N 15 118.8 0.2 A 66 ASP H H 1 8.76 0.02 A 66 ASP HA H 1 4.70 0.02 A 66 ASP HBx H 1 2.64 0.02 A 66 ASP HBy H 1 2.82 0.02 A 66 ASP C C 13 176.0 0.2 A 66 ASP CA C 13 54.3 0.2 A 66 ASP CB C 13 41.3 0.2 A 66 ASP N N 15 126.4 0.2 A 67 THR H H 1 8.02 0.02 A 67 THR HA H 1 4.30 0.02 A 67 THR HB H 1 4.11 0.02 A 67 THR HG2% H 1 1.05 0.02 A 67 THR C C 13 172.1 0.2 A 67 THR CA C 13 62.4 0.2 A 67 THR CB C 13 70.7 0.2 A 67 THR CG2 C 13 21.5 0.2 A 67 THR N N 15 117.5 0.2 A 68 CYS H H 1 8.94 0.02 A 68 CYS HA H 1 3.40 0.02 A 68 CYS HBx H 1 1.97 0.02 A 68 CYS HBy H 1 2.39 0.02 A 68 CYS C C 13 174.9 0.2 A 68 CYS CA C 13 58.7 0.2 A 68 CYS CB C 13 25.6 0.2 A 68 CYS N N 15 129.5 0.2 A 69 VAL H H 1 9.09 0.02 A 69 VAL HA H 1 4.15 0.02 A 69 VAL HB H 1 2.10 0.02 A 69 VAL HG1% H 1 0.91 0.02 A 69 VAL HG2% H 1 0.82 0.02 A 69 VAL C C 13 176.3 0.2 A 69 VAL CA C 13 62.9 0.2 A 69 VAL CB C 13 32.8 0.2 A 69 VAL CG1 C 13 22.2 0.02 A 69 VAL CG2 C 13 19.6 0.02 A 69 VAL N N 15 127.5 0.2 A 70 SER H H 1 7.64 0.02 A 70 SER HA H 1 4.55 0.02 A 70 SER HBx H 1 3.88 0.02 A 70 SER HBy H 1 4.01 0.02 A 70 SER C C 13 172.3 0.2 A 70 SER CA C 13 58.7 0.2 A 70 SER CB C 13 65.1 0.2 A 70 SER N N 15 113.4 0.2 A 71 THR H H 1 8.22 0.02 A 71 THR HA H 1 4.58 0.02 A 71 THR HB H 1 3.88 0.02 A 71 THR HG2% H 1 1.00 0.02 A 71 THR C C 13 174.0 0.2 A 71 THR CA C 13 61.8 0.2 A 71 THR CB C 13 70.5 0.2 A 71 THR CG2 C 13 21.6 0.2 A 71 THR N N 15 114.5 0.2 A 72 MET H H 1 8.26 0.02 A 72 MET HA H 1 2.99 0.02 A 72 MET HBx H 1 1.21 0.02 A 72 MET HBy H 1 1.74 0.02 A 72 MET HE% H 1 1.73 0.02 A 72 MET HGx H 1 1.27 0.02 A 72 MET HGy H 1 1.88 0.02 A 72 MET C C 13 175.7 0.2 A 72 MET CA C 13 55.1 0.2 A 72 MET CB C 13 30.2 0.2 A 72 MET CE C 13 20.2 0.2 A 72 MET CG C 13 32.6 0.2 A 72 MET N N 15 121.8 0.2 A 73 ASP H H 1 7.83 0.02 A 73 ASP HA H 1 4.37 0.02 A 73 ASP HBx H 1 2.59 0.02 A 73 ASP HBy H 1 2.64 0.02 A 73 ASP C C 13 175.1 0.2 A 73 ASP CA C 13 55.8 0.2 A 73 ASP CB C 13 41.8 0.2 A 73 ASP N N 15 125.1 0.2 A 74 ASN H H 1 7.48 0.02 A 74 ASN HA H 1 4.89 0.02 A 74 ASN HBx H 1 2.69 0.02 A 74 ASN HBy H 1 3.19 0.02 A 74 ASN HD21 H 1 7.42 0.02 A 74 ASN HD22 H 1 6.99 0.02 A 74 ASN C C 13 175.8 0.2 A 74 ASN CA C 13 51.6 0.2 A 74 ASN CB C 13 38.8 0.2 A 74 ASN CG C 13 180.1 0.2 A 74 ASN N N 15 116.4 0.2 A 74 ASN ND2 N 15 110.6 0.2 A 75 ASN H H 1 8.87 0.02 A 75 ASN HA H 1 4.39 0.02 A 75 ASN HBx H 1 2.71 0.02 A 75 ASN HBy H 1 2.71 0.02 A 75 ASN HD21 H 1 7.62 0.02 A 75 ASN HD22 H 1 7.16 0.02 A 75 ASN C C 13 175.7 0.2 A 75 ASN CA C 13 55.6 0.2 A 75 ASN CB C 13 39.2 0.2 A 75 ASN CG C 13 175.8 0.2 A 75 ASN N N 15 123.6 0.2 A 75 ASN ND2 N 15 112.3 0.2 A 76 ASP H H 1 8.06 0.02 A 76 ASP HA H 1 4.75 0.02 A 76 ASP HBx H 1 2.55 0.02 A 76 ASP HBy H 1 2.76 0.02 A 76 ASP C C 13 176.2 0.2 A 76 ASP CA C 13 54.2 0.2 A 76 ASP CB C 13 41.7 0.2 A 76 ASP N N 15 115.1 0.2 A 77 ALA H H 1 7.14 0.02 A 77 ALA HA H 1 4.16 0.02 A 77 ALA HB% H 1 1.43 0.02 A 77 ALA C C 13 176.1 0.2 A 77 ALA CA C 13 51.4 0.2 A 77 ALA CB C 13 20.1 0.2 A 77 ALA N N 15 122.6 0.2 A 78 GLN H H 1 8.09 0.02 A 78 GLN HA H 1 4.75 0.02 A 78 GLN HBx H 1 1.83 0.02 A 78 GLN HBy H 1 2.45 0.02 A 78 GLN HE21 H 1 7.49 0.02 A 78 GLN HE22 H 1 6.86 0.02 A 78 GLN HGx H 1 2.19 0.02 A 78 GLN HGy H 1 2.46 0.02 A 78 GLN C C 13 177.9 0.2 A 78 GLN CA C 13 55.2 0.2 A 78 GLN CB C 13 29.5 0.2 A 78 GLN CD C 13 180.0 0.2 A 78 GLN CG C 13 34.6 0.2 A 78 GLN N N 15 116.5 0.2 A 78 GLN NE2 N 15 111.1 0.2 A 79 LEU H H 1 9.38 0.02 A 79 LEU HA H 1 4.06 0.02 A 79 LEU HBx H 1 1.47 0.02 A 79 LEU HBy H 1 1.98 0.02 A 79 LEU HD1% H 1 0.93 0.02 A 79 LEU HD2% H 1 0.88 0.02 A 79 LEU HG H 1 1.70 0.02 A 79 LEU C C 13 179.2 0.2 A 79 LEU CA C 13 58.9 0.2 A 79 LEU CB C 13 42.0 0.2 A 79 LEU CD1 C 13 25.9 0.02 A 79 LEU CD2 C 13 28.3 0.02 A 79 LEU CG C 13 27.4 0.2 A 79 LEU N N 15 123.8 0.2 A 80 GLY H H 1 9.13 0.02 A 80 GLY HAx H 1 3.75 0.02 A 80 GLY HAy H 1 4.16 0.02 A 80 GLY C C 13 174.1 0.2 A 80 GLY CA C 13 45.6 0.2 A 80 GLY N N 15 104.0 0.2 A 81 TYR H H 1 7.90 0.02 A 81 TYR HA H 1 4.00 0.02 A 81 TYR HBx H 1 2.75 0.02 A 81 TYR HBy H 1 3.03 0.02 A 81 TYR HDx H 1 6.11 0.02 A 81 TYR HDy H 1 6.11 0.02 A 81 TYR HEx H 1 6.56 0.02 A 81 TYR HEy H 1 6.56 0.02 A 81 TYR C C 13 176.3 0.2 A 81 TYR CA C 13 60.6 0.2 A 81 TYR CB C 13 38.7 0.2 A 81 TYR CDx C 13 132.9 0.02 A 81 TYR CDy C 13 132.9 0.02 A 81 TYR CEx C 13 117.8 0.02 A 81 TYR CEy C 13 117.8 0.02 A 81 TYR N N 15 120.3 0.2 A 82 TYR H H 1 7.43 0.02 A 82 TYR HA H 1 4.34 0.02 A 82 TYR HBx H 1 2.64 0.02 A 82 TYR HBy H 1 3.05 0.02 A 82 TYR HDx H 1 7.15 0.02 A 82 TYR HDy H 1 7.15 0.02 A 82 TYR HEx H 1 7.05 0.02 A 82 TYR HEy H 1 7.05 0.02 A 82 TYR C C 13 175.5 0.2 A 82 TYR CA C 13 58.7 0.2 A 82 TYR CB C 13 41.5 0.2 A 82 TYR CDx C 13 133.7 0.02 A 82 TYR CDy C 13 133.7 0.02 A 82 TYR CEx C 13 119.4 0.02 A 82 TYR CEy C 13 119.4 0.02 A 82 TYR N N 15 114.0 0.2 A 83 ALA H H 1 8.43 0.02 A 83 ALA HA H 1 4.38 0.02 A 83 ALA HB% H 1 1.01 0.02 A 83 ALA C C 13 173.4 0.2 A 83 ALA CA C 13 51.0 0.2 A 83 ALA CB C 13 19.5 0.2 A 83 ALA N N 15 122.9 0.2 A 84 ASN H H 1 8.05 0.02 A 84 ASN HA H 1 4.76 0.02 A 84 ASN HBx H 1 2.67 0.02 A 84 ASN HBy H 1 2.90 0.02 A 84 ASN HD21 H 1 7.36 0.02 A 84 ASN HD22 H 1 6.71 0.02 A 84 ASN C C 13 174.6 0.2 A 84 ASN CA C 13 52.2 0.2 A 84 ASN CB C 13 39.3 0.2 A 84 ASN CG C 13 177.5 0.2 A 84 ASN N N 15 117.3 0.2 A 84 ASN ND2 N 15 111.9 0.2 A 85 SER H H 1 7.18 0.02 A 85 SER HA H 1 4.67 0.02 A 85 SER HBx H 1 3.72 0.02 A 85 SER HBy H 1 3.81 0.02 A 85 SER C C 13 172.0 0.2 A 85 SER CA C 13 56.9 0.2 A 85 SER CB C 13 66.0 0.2 A 85 SER N N 15 112.2 0.2 A 86 ASP H H 1 8.32 0.02 A 86 ASP HA H 1 4.92 0.02 A 86 ASP HBx H 1 2.55 0.02 A 86 ASP HBy H 1 2.78 0.02 A 86 ASP C C 13 178.1 0.2 A 86 ASP CA C 13 55.0 0.2 A 86 ASP CB C 13 42.0 0.2 A 86 ASP N N 15 119.1 0.2 A 87 GLY H H 1 8.91 0.02 A 87 GLY HAx H 1 3.85 0.02 A 87 GLY HAy H 1 4.11 0.02 A 87 GLY C C 13 175.4 0.2 A 87 GLY CA C 13 46.1 0.2 A 87 GLY N N 15 107.9 0.2 A 88 LEU H H 1 8.29 0.02 A 88 LEU HA H 1 4.74 0.02 A 88 LEU HBx H 1 1.30 0.02 A 88 LEU HBy H 1 1.88 0.02 A 88 LEU HD1% H 1 0.90 0.02 A 88 LEU HD2% H 1 0.78 0.02 A 88 LEU HG H 1 1.59 0.02 A 88 LEU C C 13 175.0 0.2 A 88 LEU CA C 13 54.5 0.2 A 88 LEU CB C 13 43.2 0.2 A 88 LEU CD1 C 13 26.7 0.02 A 88 LEU CD2 C 13 22.0 0.02 A 88 LEU CG C 13 26.5 0.2 A 88 LEU N N 15 120.3 0.2 A 89 ARG H H 1 8.88 0.02 A 89 ARG HA H 1 5.30 0.02 A 89 ARG HBx H 1 1.69 0.02 A 89 ARG HBy H 1 1.92 0.02 A 89 ARG HDx H 1 2.97 0.02 A 89 ARG HDy H 1 3.18 0.02 A 89 ARG HE H 1 7.40 0.02 A 89 ARG HGx H 1 1.15 0.02 A 89 ARG HGy H 1 1.27 0.02 A 89 ARG C C 13 174.9 0.2 A 89 ARG CA C 13 53.6 0.2 A 89 ARG CB C 13 34.3 0.2 A 89 ARG CD C 13 43.1 0.2 A 89 ARG CG C 13 27.5 0.2 A 89 ARG CZ C 13 158.5 0.2 A 89 ARG N N 15 121.2 0.2 A 89 ARG NE N 15 112.9 0.2 A 90 LEU H H 1 9.25 0.02 A 90 LEU HA H 1 5.27 0.02 A 90 LEU HBx H 1 1.12 0.02 A 90 LEU HBy H 1 1.89 0.02 A 90 LEU HD1% H 1 0.75 0.02 A 90 LEU HD2% H 1 0.72 0.02 A 90 LEU HG H 1 1.65 0.02 A 90 LEU C C 13 173.7 0.2 A 90 LEU CA C 13 52.9 0.2 A 90 LEU CB C 13 42.0 0.2 A 90 LEU CD1 C 13 26.8 0.02 A 90 LEU CD2 C 13 23.7 0.02 A 90 LEU CG C 13 27.2 0.2 A 90 LEU N N 15 125.5 0.2 A 91 HIS H H 1 9.60 0.02 A 91 HIS HA H 1 5.28 0.02 A 91 HIS HBx H 1 2.38 0.02 A 91 HIS HBy H 1 3.22 0.02 A 91 HIS HD2 H 1 7.00 0.02 A 91 HIS HE1 H 1 7.85 0.02 A 91 HIS C C 13 174.3 0.2 A 91 HIS CA C 13 54.5 0.2 A 91 HIS CB C 13 35.2 0.2 A 91 HIS CD2 C 13 118.0 0.2 A 91 HIS CE1 C 13 137.2 0.2 A 91 HIS N N 15 124.8 0.2 A 91 HIS ND1 N 15 242.2 0.2 A 91 HIS NE2 N 15 163.2 0.2 A 92 VAL H H 1 8.30 0.02 A 92 VAL HA H 1 4.11 0.02 A 92 VAL HB H 1 1.93 0.02 A 92 VAL HG1% H 1 0.92 0.02 A 92 VAL HG2% H 1 0.99 0.02 A 92 VAL C C 13 174.2 0.2 A 92 VAL CA C 13 62.9 0.2 A 92 VAL CB C 13 32.6 0.2 A 92 VAL CG1 C 13 21.0 0.02 A 92 VAL CG2 C 13 23.5 0.02 A 92 VAL N N 15 128.4 0.2 A 93 VAL H H 1 8.95 0.02 A 93 VAL HA H 1 4.17 0.02 A 93 VAL HB H 1 2.00 0.02 A 93 VAL HG1% H 1 0.90 0.02 A 93 VAL HG2% H 1 0.83 0.02 A 93 VAL C C 13 175.6 0.2 A 93 VAL CA C 13 61.1 0.2 A 93 VAL CB C 13 33.3 0.2 A 93 VAL CG1 C 13 21.3 0.02 A 93 VAL CG2 C 13 21.3 0.02 A 93 VAL N N 15 127.8 0.2 A 94 ASP H H 1 8.28 0.02 A 94 ASP HA H 1 4.85 0.02 A 94 ASP HBx H 1 2.36 0.02 A 94 ASP HBy H 1 2.54 0.02 A 94 ASP C C 13 174.7 0.2 A 94 ASP CA C 13 53.8 0.2 A 94 ASP CB C 13 42.5 0.2 A 94 ASP N N 15 127.1 0.2 A 95 SER H H 1 7.85 0.02 A 95 SER HA H 1 4.16 0.02 A 95 SER HBx H 1 3.79 0.02 A 95 SER HBy H 1 3.79 0.02 A 95 SER CA C 13 60.0 0.2 A 95 SER CB C 13 64.7 0.2 A 95 SER N N 15 120.7 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 12 LYS HA A 12 LYS HDx 1.0 1.8 4.74 2 1 A 12 LYS HA A 12 LYS HDy 1.0 1.8 4.74 3 2 A 13 SER HA A 15 PHE H 1.0 1.8 5.56 4 3 A 15 PHE HE% A 13 SER HBx 1.0 1.8 5.09 5 3 A 13 SER HBy A 15 PHE HE% 1.0 1.8 5.09 6 4 A 15 PHE H A 13 SER HBx 1.0 1.8 4.48 7 4 A 15 PHE H A 13 SER HBy 1.0 1.8 4.48 8 5 A 14 ASP HA A 15 PHE HD% 1.0 1.8 5.73 9 6 A 15 PHE H A 14 ASP HA 1.0 1.8 3.22 10 7 A 14 ASP HA A 35 ALA HA 1.0 1.8 6.05 11 8 A 15 PHE HD% A 14 ASP HBx 1.0 1.8 5.16 12 8 A 15 PHE HD% A 14 ASP HBy 1.0 1.8 5.16 13 9 A 15 PHE H A 14 ASP HBx 1.0 1.8 4.53 14 9 A 15 PHE H A 14 ASP HBy 1.0 1.8 4.53 15 10 A 15 PHE HD% A 15 PHE HA 1.0 1.8 4.65 16 11 A 15 PHE HA A 16 ILE HG2% 1.0 1.8 4.84 17 12 A 15 PHE HA A 16 ILE H 1.0 1.8 3.32 18 13 A 35 ALA HA A 15 PHE HA 1.0 1.8 3.59 19 14 A 15 PHE HA A 35 ALA HB% 1.0 1.8 4.17 20 15 A 15 PHE HA A 36 LYS HDx 1.0 1.8 5.22 21 15 A 15 PHE HA A 36 LYS HDy 1.0 1.8 5.22 22 16 A 15 PHE HA A 36 LYS H 1.0 1.8 3.73 23 17 A 16 ILE HA A 15 PHE HBx 1.0 1.8 5.19 24 17 A 15 PHE HBy A 16 ILE HA 1.0 1.8 5.19 25 18 A 16 ILE HG2% A 15 PHE HBx 1.0 1.8 4.96 26 18 A 16 ILE HG2% A 15 PHE HBy 1.0 1.8 4.96 27 19 A 16 ILE H A 15 PHE HBx 1.0 1.8 3.69 28 19 A 16 ILE H A 15 PHE HBy 1.0 1.8 3.69 29 20 A 15 PHE HBy A 33 LYS HBx 1.0 1.8 4.65 30 20 A 33 LYS HBy A 15 PHE HBx 1.0 1.8 4.65 31 20 A 15 PHE HBy A 33 LYS HBy 1.0 1.8 4.65 32 20 A 15 PHE HBx A 33 LYS HBx 1.0 1.8 4.65 33 21 A 15 PHE HBx A 33 LYS HDx 1.0 1.8 4.70 34 21 A 15 PHE HBy A 33 LYS HDx 1.0 1.8 4.70 35 21 A 33 LYS HDy A 15 PHE HBx 1.0 1.8 4.70 36 21 A 15 PHE HBy A 33 LYS HDy 1.0 1.8 4.70 37 22 A 15 PHE HBy A 33 LYS HGx 1.0 1.8 4.79 38 22 A 15 PHE HBx A 33 LYS HGx 1.0 1.8 4.79 39 23 A 33 LYS HGy A 15 PHE HBx 1.0 1.8 4.79 40 23 A 15 PHE HBy A 33 LYS HGy 1.0 1.8 4.79 41 24 A 34 LEU HA A 15 PHE HBx 1.0 1.8 5.71 42 24 A 15 PHE HBy A 34 LEU HA 1.0 1.8 5.71 43 25 A 34 LEU H A 15 PHE HBx 1.0 1.8 4.63 44 25 A 15 PHE HBy A 34 LEU H 1.0 1.8 4.63 45 26 A 35 ALA HA A 15 PHE HBx 1.0 1.8 4.53 46 26 A 35 ALA HA A 15 PHE HBy 1.0 1.8 4.53 47 27 A 36 LYS H A 15 PHE HBx 1.0 1.8 5.90 48 27 A 36 LYS H A 15 PHE HBy 1.0 1.8 5.90 49 28 A 15 PHE HD% A 15 PHE HZ 1.0 1.8 4.47 50 29 A 15 PHE HD% A 16 ILE H 1.0 1.8 4.85 51 30 A 15 PHE HD% A 33 LYS HBx 1.0 1.8 5.15 52 30 A 15 PHE HD% A 33 LYS HBy 1.0 1.8 5.15 53 31 A 15 PHE HD% A 33 LYS HDx 1.0 1.8 5.41 54 31 A 15 PHE HD% A 33 LYS HDy 1.0 1.8 5.41 55 32 A 15 PHE HD% A 33 LYS HEx 1.0 1.8 4.95 56 32 A 15 PHE HD% A 33 LYS HEy 1.0 1.8 4.95 57 33 A 15 PHE HD% A 33 LYS HGx 1.0 1.8 4.74 58 33 A 15 PHE HD% A 33 LYS HGy 1.0 1.8 4.74 59 34 A 15 PHE HD% A 34 LEU H 1.0 1.8 5.57 60 35 A 15 PHE HD% A 35 ALA HA 1.0 1.8 4.53 61 36 A 15 PHE HD% A 35 ALA HB% 1.0 1.8 4.89 62 37 A 15 PHE HD% A 35 ALA H 1.0 1.8 5.12 63 38 A 15 PHE HE% A 33 LYS HBx 1.0 1.8 6.01 64 38 A 15 PHE HE% A 33 LYS HBy 1.0 1.8 6.01 65 39 A 15 PHE HE% A 33 LYS HDx 1.0 1.8 6.05 66 39 A 15 PHE HE% A 33 LYS HDy 1.0 1.8 6.05 67 40 A 15 PHE HE% A 33 LYS HEx 1.0 1.8 5.87 68 40 A 15 PHE HE% A 33 LYS HEy 1.0 1.8 5.87 69 41 A 15 PHE HE% A 35 ALA HA 1.0 1.8 5.81 70 42 A 15 PHE HE% A 35 ALA HB% 1.0 1.8 4.41 71 43 A 15 PHE HE% A 35 ALA H 1.0 1.8 5.51 72 44 A 15 PHE H A 15 PHE HBx 1.0 1.8 3.47 73 44 A 15 PHE H A 15 PHE HBy 1.0 1.8 3.47 74 45 A 15 PHE H A 15 PHE HD% 1.0 1.8 3.94 75 46 A 15 PHE H A 16 ILE H 1.0 1.8 4.98 76 47 A 15 PHE H A 35 ALA HA 1.0 1.8 5.56 77 48 A 15 PHE H A 35 ALA HB% 1.0 1.8 6.00 78 49 A 35 ALA HB% A 15 PHE HZ 1.0 1.8 4.89 79 50 A 16 ILE HG2% A 16 ILE HA 1.0 1.8 3.44 80 51 A 16 ILE HA A 17 LYS H 1.0 1.8 3.17 81 52 A 16 ILE HA A 86 ASP HBx 1.0 1.8 4.41 82 52 A 16 ILE HA A 86 ASP HBy 1.0 1.8 4.41 83 53 A 16 ILE HB A 16 ILE HD1% 1.0 1.8 3.62 84 54 A 17 LYS H A 16 ILE HB 1.0 1.8 3.72 85 55 A 16 ILE HB A 86 ASP HA 1.0 1.8 4.53 86 56 A 17 LYS H A 16 ILE HD1% 1.0 1.8 5.44 87 57 A 16 ILE HD1% A 36 LYS HA 1.0 1.8 4.70 88 58 A 16 ILE HD1% A 36 LYS HEx 1.0 1.8 5.91 89 58 A 16 ILE HD1% A 36 LYS HEy 1.0 1.8 5.91 90 59 A 16 ILE HD1% A 36 LYS HGy 1.0 1.8 5.12 91 59 A 16 ILE HD1% A 36 LYS HGx 1.0 1.8 5.12 92 60 A 36 LYS H A 16 ILE HD1% 1.0 1.8 5.90 93 61 A 16 ILE HD1% A 80 GLY HAy 1.0 1.8 6.05 94 61 A 16 ILE HD1% A 80 GLY HAx 1.0 1.8 6.05 95 62 A 16 ILE HD1% A 83 ALA HA 1.0 1.8 5.70 96 63 A 16 ILE HD1% A 83 ALA HB% 1.0 1.8 3.63 97 64 A 16 ILE HD1% A 84 ASN HA 1.0 1.8 4.06 98 65 A 16 ILE HD1% A 84 ASN HBx 1.0 1.8 5.87 99 65 A 16 ILE HD1% A 84 ASN HBy 1.0 1.8 5.87 100 66 A 16 ILE HD1% A 84 ASN H 1.0 1.8 5.03 101 67 A 16 ILE HD1% A 85 SER HA 1.0 1.8 5.39 102 68 A 16 ILE HD1% A 85 SER H 1.0 1.8 4.71 103 69 A 16 ILE HD1% A 86 ASP HA 1.0 1.8 5.37 104 70 A 16 ILE HD1% A 87 GLY H 1.0 1.8 5.53 105 71 A 16 ILE HD1% A 88 LEU HBy 1.0 1.8 5.28 106 71 A 16 ILE HD1% A 88 LEU HBx 1.0 1.8 5.28 107 72 A 16 ILE HD1% A 88 LEU H 1.0 1.8 5.80 108 73 A 35 ALA HA A 16 ILE HG1y 1.0 1.8 5.95 109 73 A 35 ALA HA A 16 ILE HG1x 1.0 1.8 5.95 110 74 A 36 LYS HA A 16 ILE HG1y 1.0 1.8 5.41 111 74 A 36 LYS HA A 16 ILE HG1x 1.0 1.8 5.41 112 75 A 36 LYS H A 16 ILE HG1y 1.0 1.8 6.02 113 75 A 36 LYS H A 16 ILE HG1x 1.0 1.8 6.02 114 76 A 86 ASP HA A 16 ILE HG1y 1.0 1.8 5.24 115 76 A 86 ASP HA A 16 ILE HG1x 1.0 1.8 5.24 116 77 A 17 LYS H A 16 ILE HG1y 1.0 1.8 5.54 117 78 A 34 LEU H A 16 ILE HG1y 1.0 1.8 5.25 118 79 A 17 LYS H A 16 ILE HG1x 1.0 1.8 5.54 119 80 A 34 LEU H A 16 ILE HG1x 1.0 1.8 5.25 120 81 A 16 ILE HG2% A 16 ILE HG1y 1.0 1.8 3.89 121 82 A 16 ILE HG2% A 16 ILE HG1x 1.0 1.8 3.89 122 83 A 16 ILE HG2% A 17 LYS H 1.0 1.8 4.35 123 84 A 35 ALA HA A 16 ILE HG2% 1.0 1.8 5.64 124 85 A 16 ILE HG2% A 36 LYS HA 1.0 1.8 5.48 125 86 A 16 ILE HG2% A 36 LYS HDx 1.0 1.8 3.75 126 86 A 16 ILE HG2% A 36 LYS HDy 1.0 1.8 3.75 127 87 A 16 ILE HG2% A 36 LYS HEx 1.0 1.8 3.67 128 87 A 16 ILE HG2% A 36 LYS HEy 1.0 1.8 3.67 129 88 A 16 ILE HG2% A 36 LYS HGy 1.0 1.8 4.06 130 88 A 16 ILE HG2% A 36 LYS HGx 1.0 1.8 4.06 131 89 A 16 ILE HG2% A 36 LYS H 1.0 1.8 5.22 132 90 A 16 ILE HG2% A 80 GLY HAy 1.0 1.8 6.05 133 90 A 16 ILE HG2% A 80 GLY HAx 1.0 1.8 6.05 134 91 A 16 ILE HG2% A 85 SER HA 1.0 1.8 4.84 135 92 A 16 ILE HG2% A 85 SER H 1.0 1.8 5.67 136 93 A 16 ILE HG2% A 86 ASP HA 1.0 1.8 5.05 137 94 A 16 ILE H A 16 ILE HD1% 1.0 1.8 4.65 138 95 A 16 ILE H A 16 ILE HG1y 1.0 1.8 4.04 139 96 A 16 ILE H A 16 ILE HG1x 1.0 1.8 4.04 140 97 A 16 ILE HG2% A 16 ILE H 1.0 1.8 3.77 141 98 A 16 ILE H A 17 LYS H 1.0 1.8 5.17 142 99 A 16 ILE H A 33 LYS HA 1.0 1.8 4.99 143 100 A 35 ALA HA A 16 ILE H 1.0 1.8 4.68 144 101 A 16 ILE H A 36 LYS HBy 1.0 1.8 5.87 145 101 A 16 ILE H A 36 LYS HBx 1.0 1.8 5.87 146 102 A 16 ILE H A 36 LYS HDx 1.0 1.8 5.83 147 102 A 16 ILE H A 36 LYS HDy 1.0 1.8 5.83 148 103 A 16 ILE H A 36 LYS HEx 1.0 1.8 6.05 149 103 A 16 ILE H A 36 LYS HEy 1.0 1.8 6.05 150 104 A 16 ILE H A 36 LYS HGy 1.0 1.8 5.87 151 104 A 16 ILE H A 36 LYS HGx 1.0 1.8 5.87 152 105 A 16 ILE H A 36 LYS H 1.0 1.8 5.28 153 106 A 16 ILE H A 79 LEU HD2% 1.0 1.8 5.92 154 107 A 17 LYS HA A 17 LYS HDx 1.0 1.8 4.71 155 107 A 17 LYS HA A 17 LYS HDy 1.0 1.8 4.71 156 108 A 17 LYS HA A 17 LYS HEx 1.0 1.8 5.47 157 108 A 17 LYS HA A 17 LYS HEy 1.0 1.8 5.47 158 109 A 17 LYS HA A 17 LYS HGy 1.0 1.8 4.10 159 110 A 17 LYS HA A 17 LYS HGx 1.0 1.8 4.10 160 111 A 17 LYS HA A 18 VAL HG2% 1.0 1.8 4.15 161 112 A 17 LYS HA A 18 VAL H 1.0 1.8 3.18 162 113 A 17 LYS HA A 32 VAL HG1% 1.0 1.8 4.99 163 114 A 17 LYS HA A 32 VAL H 1.0 1.8 5.06 164 115 A 33 LYS HA A 17 LYS HA 1.0 1.8 3.75 165 116 A 17 LYS HA A 33 LYS HBx 1.0 1.8 5.60 166 116 A 33 LYS HBy A 17 LYS HA 1.0 1.8 5.60 167 117 A 17 LYS HA A 33 LYS HDx 1.0 1.8 6.05 168 117 A 33 LYS HDy A 17 LYS HA 1.0 1.8 6.05 169 118 A 34 LEU H A 17 LYS HA 1.0 1.8 4.69 170 119 A 32 VAL H A 17 LYS HBy 1.0 1.8 6.05 171 119 A 32 VAL H A 17 LYS HBx 1.0 1.8 6.05 172 120 A 33 LYS HA A 17 LYS HBy 1.0 1.8 5.41 173 120 A 33 LYS HA A 17 LYS HBx 1.0 1.8 5.41 174 121 A 17 LYS HEy A 17 LYS HBy 1.0 1.8 4.64 175 121 A 17 LYS HBy A 17 LYS HEx 1.0 1.8 4.64 176 122 A 18 VAL H A 17 LYS HBy 1.0 1.8 4.83 177 123 A 31 GLU HA A 17 LYS HBy 1.0 1.8 5.73 178 124 A 17 LYS HEy A 17 LYS HBx 1.0 1.8 4.64 179 124 A 17 LYS HBx A 17 LYS HEx 1.0 1.8 4.64 180 125 A 18 VAL H A 17 LYS HBx 1.0 1.8 4.83 181 126 A 17 LYS HBx A 31 GLU HA 1.0 1.8 5.73 182 127 A 18 VAL H A 17 LYS HDx 1.0 1.8 5.59 183 127 A 17 LYS HDy A 18 VAL H 1.0 1.8 5.59 184 128 A 31 GLU HA A 17 LYS HDx 1.0 1.8 5.20 185 128 A 17 LYS HDy A 31 GLU HA 1.0 1.8 5.20 186 129 A 17 LYS HDx A 31 GLU HBy 1.0 1.8 4.72 187 129 A 17 LYS HDy A 31 GLU HBy 1.0 1.8 4.72 188 130 A 31 GLU HBx A 17 LYS HDx 1.0 1.8 4.72 189 130 A 17 LYS HDy A 31 GLU HBx 1.0 1.8 4.72 190 131 A 17 LYS HDy A 31 GLU HGy 1.0 1.8 4.62 191 131 A 31 GLU HGx A 17 LYS HDx 1.0 1.8 4.62 192 131 A 17 LYS HDy A 31 GLU HGx 1.0 1.8 4.62 193 131 A 17 LYS HDx A 31 GLU HGy 1.0 1.8 4.62 194 132 A 31 GLU H A 17 LYS HDx 1.0 1.8 5.79 195 132 A 17 LYS HDy A 31 GLU H 1.0 1.8 5.79 196 133 A 32 VAL H A 17 LYS HDx 1.0 1.8 6.05 197 133 A 17 LYS HDy A 32 VAL H 1.0 1.8 6.05 198 134 A 17 LYS HEy A 31 GLU HGy 1.0 1.8 4.60 199 134 A 17 LYS HEx A 31 GLU HGy 1.0 1.8 4.60 200 134 A 31 GLU HGx A 17 LYS HEx 1.0 1.8 4.60 201 134 A 17 LYS HEy A 31 GLU HGx 1.0 1.8 4.60 202 135 A 18 VAL H A 17 LYS HGy 1.0 1.8 4.50 203 135 A 18 VAL H A 17 LYS HGx 1.0 1.8 4.50 204 136 A 31 GLU HA A 17 LYS HGy 1.0 1.8 4.76 205 136 A 31 GLU HA A 17 LYS HGx 1.0 1.8 4.76 206 137 A 17 LYS HGy A 31 GLU HGy 1.0 1.8 5.00 207 137 A 17 LYS HGx A 31 GLU HGy 1.0 1.8 5.00 208 137 A 31 GLU HGx A 17 LYS HGy 1.0 1.8 5.00 209 137 A 31 GLU HGx A 17 LYS HGx 1.0 1.8 5.00 210 138 A 33 LYS HA A 17 LYS HGy 1.0 1.8 5.87 211 138 A 33 LYS HA A 17 LYS HGx 1.0 1.8 5.87 212 139 A 17 LYS H A 17 LYS HBy 1.0 1.8 4.03 213 140 A 17 LYS H A 17 LYS HBx 1.0 1.8 4.03 214 141 A 17 LYS H A 17 LYS HDx 1.0 1.8 5.50 215 141 A 17 LYS H A 17 LYS HDy 1.0 1.8 5.50 216 142 A 17 LYS H A 17 LYS HGy 1.0 1.8 4.52 217 142 A 17 LYS H A 17 LYS HGx 1.0 1.8 4.52 218 143 A 17 LYS H A 18 VAL HG1% 1.0 1.8 4.83 219 144 A 17 LYS H A 18 VAL H 1.0 1.8 5.33 220 145 A 17 LYS H A 86 ASP HA 1.0 1.8 4.30 221 146 A 17 LYS H A 86 ASP HBy 1.0 1.8 5.29 222 147 A 17 LYS H A 86 ASP HBx 1.0 1.8 5.29 223 148 A 17 LYS H A 87 GLY H 1.0 1.8 5.69 224 149 A 18 VAL HG1% A 18 VAL HA 1.0 1.8 3.33 225 150 A 18 VAL HG2% A 18 VAL HA 1.0 1.8 4.07 226 151 A 18 VAL HA A 19 ASN H 1.0 1.8 3.39 227 152 A 18 VAL HA A 88 LEU HBy 1.0 1.8 5.71 228 152 A 88 LEU HBx A 18 VAL HA 1.0 1.8 5.71 229 153 A 88 LEU H A 18 VAL HA 1.0 1.8 5.18 230 154 A 18 VAL HA A 89 ARG HA 1.0 1.8 5.46 231 155 A 19 ASN H A 18 VAL HB 1.0 1.8 3.62 232 156 A 87 GLY H A 18 VAL HB 1.0 1.8 6.05 233 157 A 89 ARG HA A 18 VAL HB 1.0 1.8 4.49 234 158 A 18 VAL HB A 90 LEU HD1% 1.0 1.8 5.07 235 159 A 18 VAL HB A 90 LEU HG 1.0 1.8 4.32 236 160 A 18 VAL HB A 90 LEU H 1.0 1.8 4.62 237 161 A 18 VAL HG1% A 19 ASN H 1.0 1.8 4.19 238 162 A 34 LEU H A 18 VAL HG1% 1.0 1.8 5.82 239 163 A 86 ASP HA A 18 VAL HG1% 1.0 1.8 4.63 240 164 A 87 GLY H A 18 VAL HG1% 1.0 1.8 3.97 241 165 A 18 VAL HG1% A 88 LEU HBy 1.0 1.8 3.82 242 165 A 88 LEU HBx A 18 VAL HG1% 1.0 1.8 3.82 243 166 A 88 LEU H A 18 VAL HG1% 1.0 1.8 3.95 244 167 A 18 VAL HG2% A 19 ASN HA 1.0 1.8 5.64 245 168 A 18 VAL HG2% A 19 ASN H 1.0 1.8 4.41 246 169 A 18 VAL HG2% A 32 VAL H 1.0 1.8 4.29 247 170 A 34 LEU H A 18 VAL HG2% 1.0 1.8 5.17 248 171 A 87 GLY H A 18 VAL HG2% 1.0 1.8 6.05 249 172 A 88 LEU H A 18 VAL HG2% 1.0 1.8 6.05 250 173 A 18 VAL HG2% A 90 LEU HG 1.0 1.8 3.82 251 174 A 18 VAL HG2% A 18 VAL H 1.0 1.8 3.27 252 175 A 18 VAL H A 19 ASN H 1.0 1.8 5.07 253 176 A 18 VAL H A 31 GLU HA 1.0 1.8 5.16 254 177 A 18 VAL H A 32 VAL HB 1.0 1.8 5.51 255 178 A 18 VAL H A 32 VAL HG1% 1.0 1.8 4.89 256 179 A 18 VAL H A 32 VAL H 1.0 1.8 3.83 257 180 A 33 LYS HA A 18 VAL H 1.0 1.8 5.13 258 181 A 34 LEU H A 18 VAL H 1.0 1.8 5.59 259 182 A 19 ASN HA A 20 VAL HB 1.0 1.8 5.68 260 183 A 19 ASN HA A 20 VAL HG2% 1.0 1.8 4.61 261 184 A 19 ASN HA A 20 VAL H 1.0 1.8 3.62 262 185 A 19 ASN HA A 28 VAL HG1% 1.0 1.8 5.33 263 186 A 19 ASN HA A 29 ALA HB% 1.0 1.8 5.44 264 187 A 19 ASN HA A 30 PHE HA 1.0 1.8 4.46 265 188 A 31 GLU HA A 19 ASN HA 1.0 1.8 5.49 266 189 A 31 GLU H A 19 ASN HA 1.0 1.8 4.27 267 190 A 19 ASN HA A 32 VAL HB 1.0 1.8 6.05 268 191 A 32 VAL HG1% A 19 ASN HA 1.0 1.8 4.71 269 192 A 32 VAL H A 19 ASN HA 1.0 1.8 4.62 270 193 A 20 VAL HG2% A 19 ASN HBx 1.0 1.8 5.30 271 193 A 20 VAL HG2% A 19 ASN HBy 1.0 1.8 5.30 272 194 A 28 VAL HG1% A 19 ASN HBx 1.0 1.8 4.53 273 194 A 28 VAL HG1% A 19 ASN HBy 1.0 1.8 4.53 274 195 A 30 PHE HA A 19 ASN HBx 1.0 1.8 5.22 275 195 A 30 PHE HA A 19 ASN HBy 1.0 1.8 5.22 276 196 A 89 ARG HA A 19 ASN HBx 1.0 1.8 5.02 277 196 A 89 ARG HA A 19 ASN HBy 1.0 1.8 5.02 278 197 A 19 ASN HBy A 89 ARG HBy 1.0 1.8 5.71 279 197 A 89 ARG HBy A 19 ASN HBx 1.0 1.8 5.71 280 198 A 19 ASN HBy A 89 ARG HBx 1.0 1.8 5.71 281 198 A 19 ASN HBx A 89 ARG HBx 1.0 1.8 5.71 282 199 A 19 ASN HBx A 89 ARG HDx 1.0 1.8 4.77 283 199 A 19 ASN HBy A 89 ARG HDx 1.0 1.8 4.77 284 199 A 89 ARG HDy A 19 ASN HBx 1.0 1.8 4.77 285 199 A 19 ASN HBy A 89 ARG HDy 1.0 1.8 4.77 286 200 A 19 ASN HBx A 89 ARG HGy 1.0 1.8 4.55 287 200 A 19 ASN HBy A 89 ARG HGy 1.0 1.8 4.55 288 200 A 89 ARG HGx A 19 ASN HBx 1.0 1.8 4.55 289 200 A 19 ASN HBy A 89 ARG HGx 1.0 1.8 4.55 290 201 A 19 ASN H A 88 LEU HBy 1.0 1.8 6.05 291 201 A 88 LEU HBx A 19 ASN H 1.0 1.8 6.05 292 202 A 19 ASN H A 89 ARG HA 1.0 1.8 3.96 293 203 A 19 ASN H A 89 ARG HBx 1.0 1.8 5.72 294 203 A 19 ASN H A 89 ARG HBy 1.0 1.8 5.72 295 204 A 19 ASN H A 90 LEU HBy 1.0 1.8 6.05 296 204 A 19 ASN H A 90 LEU HBx 1.0 1.8 6.05 297 205 A 19 ASN H A 90 LEU HG 1.0 1.8 6.05 298 206 A 19 ASN H A 90 LEU H 1.0 1.8 4.66 299 207 A 20 VAL HA A 20 VAL HG1% 1.0 1.8 3.47 300 208 A 20 VAL HG2% A 20 VAL HA 1.0 1.8 3.56 301 209 A 20 VAL HA A 21 SER H 1.0 1.8 3.37 302 210 A 89 ARG HA A 20 VAL HA 1.0 1.8 5.64 303 211 A 20 VAL HA A 90 LEU HBy 1.0 1.8 4.85 304 212 A 90 LEU HBx A 20 VAL HA 1.0 1.8 4.85 305 213 A 90 LEU HG A 20 VAL HA 1.0 1.8 5.47 306 214 A 90 LEU H A 20 VAL HA 1.0 1.8 3.96 307 215 A 20 VAL HA A 91 HIS HA 1.0 1.8 5.24 308 216 A 20 VAL HA A 92 VAL HG2% 1.0 1.8 5.69 309 217 A 20 VAL HB A 21 SER H 1.0 1.8 6.05 310 218 A 20 VAL HB A 29 ALA HA 1.0 1.8 6.05 311 219 A 20 VAL HB A 29 ALA HB% 1.0 1.8 3.54 312 220 A 20 VAL HB A 29 ALA H 1.0 1.8 5.59 313 221 A 20 VAL HG1% A 21 SER H 1.0 1.8 3.84 314 222 A 90 LEU H A 20 VAL HG1% 1.0 1.8 5.97 315 223 A 20 VAL HG2% A 21 SER H 1.0 1.8 4.63 316 224 A 89 ARG HA A 20 VAL HG2% 1.0 1.8 6.05 317 225 A 20 VAL HG2% A 90 LEU HA 1.0 1.8 6.05 318 226 A 20 VAL HG2% A 90 LEU HBy 1.0 1.8 3.62 319 226 A 20 VAL HG2% A 90 LEU HBx 1.0 1.8 3.62 320 227 A 90 LEU H A 20 VAL HG2% 1.0 1.8 4.76 321 228 A 20 VAL HG2% A 20 VAL H 1.0 1.8 4.13 322 229 A 20 VAL H A 28 VAL HG1% 1.0 1.8 4.99 323 230 A 20 VAL H A 29 ALA HB% 1.0 1.8 4.49 324 231 A 20 VAL H A 29 ALA H 1.0 1.8 5.08 325 232 A 20 VAL H A 30 PHE HA 1.0 1.8 5.87 326 233 A 28 VAL HG1% A 21 SER HA 1.0 1.8 5.25 327 234 A 21 SER HA A 28 VAL HG2% 1.0 1.8 4.32 328 235 A 29 ALA H A 21 SER HA 1.0 1.8 5.64 329 236 A 22 ASN H A 21 SER HBx 1.0 1.8 4.40 330 236 A 21 SER HBy A 22 ASN H 1.0 1.8 4.40 331 237 A 28 VAL HG1% A 21 SER HBx 1.0 1.8 4.83 332 237 A 28 VAL HG1% A 21 SER HBy 1.0 1.8 4.83 333 238 A 21 SER HBy A 89 ARG HDx 1.0 1.8 4.98 334 238 A 21 SER HBx A 89 ARG HDx 1.0 1.8 4.98 335 238 A 89 ARG HDy A 21 SER HBx 1.0 1.8 4.98 336 238 A 89 ARG HDy A 21 SER HBy 1.0 1.8 4.98 337 239 A 28 VAL HG2% A 21 SER HBy 1.0 1.8 5.31 338 240 A 28 VAL HG2% A 21 SER HBx 1.0 1.8 5.31 339 241 A 21 SER H A 90 LEU HBy 1.0 1.8 6.05 340 241 A 90 LEU HBx A 21 SER H 1.0 1.8 6.05 341 242 A 90 LEU H A 21 SER H 1.0 1.8 5.84 342 243 A 21 SER H A 91 HIS HA 1.0 1.8 4.21 343 244 A 21 SER H A 92 VAL H 1.0 1.8 5.40 344 245 A 22 ASN HA A 23 SER HA 1.0 1.8 5.67 345 246 A 22 ASN HA A 23 SER H 1.0 1.8 3.79 346 247 A 22 ASN HA A 51 THR HG2% 1.0 1.8 4.88 347 248 A 22 ASN HA A 91 HIS HE1 1.0 1.8 4.40 348 249 A 22 ASN HA A 92 VAL HA 1.0 1.8 5.96 349 250 A 22 ASN HA A 92 VAL HB 1.0 1.8 4.20 350 251 A 22 ASN HA A 92 VAL HG1% 1.0 1.8 4.70 351 252 A 92 VAL HG2% A 22 ASN HA 1.0 1.8 4.50 352 253 A 92 VAL H A 22 ASN HA 1.0 1.8 3.63 353 254 A 23 SER H A 22 ASN HBy 1.0 1.8 3.71 354 254 A 23 SER H A 22 ASN HBx 1.0 1.8 3.71 355 255 A 51 THR HA A 22 ASN HBy 1.0 1.8 5.47 356 255 A 22 ASN HBx A 51 THR HA 1.0 1.8 5.47 357 256 A 51 THR HB A 22 ASN HBy 1.0 1.8 4.57 358 256 A 22 ASN HBx A 51 THR HB 1.0 1.8 4.57 359 257 A 51 THR HG2% A 22 ASN HBy 1.0 1.8 3.73 360 257 A 51 THR HG2% A 22 ASN HBx 1.0 1.8 3.73 361 258 A 92 VAL HB A 22 ASN HBy 1.0 1.8 4.22 362 258 A 92 VAL HB A 22 ASN HBx 1.0 1.8 4.22 363 259 A 92 VAL HG2% A 22 ASN HBy 1.0 1.8 4.43 364 259 A 92 VAL HG2% A 22 ASN HBx 1.0 1.8 4.43 365 260 A 92 VAL H A 22 ASN HBy 1.0 1.8 4.93 366 260 A 92 VAL H A 22 ASN HBx 1.0 1.8 4.93 367 261 A 92 VAL HG1% A 22 ASN HBy 1.0 1.8 5.27 368 262 A 92 VAL HG1% A 22 ASN HBx 1.0 1.8 5.27 369 263 A 25 ASN H A 22 ASN HD2x 1.0 1.8 5.87 370 263 A 22 ASN HD2y A 25 ASN H 1.0 1.8 5.87 371 264 A 27 ALA HB% A 22 ASN HD2x 1.0 1.8 4.29 372 264 A 22 ASN HD2y A 27 ALA HB% 1.0 1.8 4.29 373 265 A 27 ALA H A 22 ASN HD2x 1.0 1.8 4.89 374 265 A 22 ASN HD2y A 27 ALA H 1.0 1.8 4.89 375 266 A 51 THR HA A 22 ASN HD2x 1.0 1.8 5.20 376 266 A 51 THR HA A 22 ASN HD2y 1.0 1.8 5.20 377 267 A 51 THR HB A 22 ASN HD2x 1.0 1.8 5.41 378 267 A 51 THR HB A 22 ASN HD2y 1.0 1.8 5.41 379 268 A 51 THR HG2% A 22 ASN HD2x 1.0 1.8 4.87 380 268 A 51 THR HG2% A 22 ASN HD2y 1.0 1.8 4.87 381 269 A 23 SER HA A 91 HIS HE1 1.0 1.8 3.85 382 270 A 91 HIS HE1 A 23 SER HBx 1.0 1.8 4.69 383 270 A 91 HIS HE1 A 23 SER HBy 1.0 1.8 4.69 384 271 A 93 VAL HA A 23 SER HBx 1.0 1.8 4.28 385 271 A 23 SER HBy A 93 VAL HA 1.0 1.8 4.28 386 272 A 93 VAL HG1% A 23 SER HBx 1.0 1.8 4.29 387 272 A 23 SER HBy A 93 VAL HG1% 1.0 1.8 4.29 388 273 A 94 ASP H A 23 SER HBx 1.0 1.8 4.95 389 273 A 23 SER HBy A 94 ASP H 1.0 1.8 4.95 390 274 A 23 SER H A 23 SER HBx 1.0 1.8 3.77 391 274 A 23 SER H A 23 SER HBy 1.0 1.8 3.77 392 275 A 23 SER H A 24 HIS H 1.0 1.8 5.10 393 276 A 23 SER H A 91 HIS HE1 1.0 1.8 6.06 394 277 A 23 SER H A 92 VAL HB 1.0 1.8 4.87 395 278 A 23 SER H A 92 VAL HG1% 1.0 1.8 5.08 396 279 A 23 SER H A 93 VAL HA 1.0 1.8 4.88 397 280 A 24 HIS HBy A 95 SER HBx 1.0 1.8 5.73 398 280 A 24 HIS HBx A 95 SER HBx 1.0 1.8 5.73 399 280 A 95 SER HBy A 24 HIS HBx 1.0 1.8 5.73 400 280 A 24 HIS HBy A 95 SER HBy 1.0 1.8 5.73 401 281 A 93 VAL HG1% A 24 HIS HE1 1.0 1.8 5.38 402 282 A 24 HIS HE1 A 95 SER HA 1.0 1.8 5.38 403 283 A 25 ASN H A 24 HIS H 1.0 1.8 4.62 404 284 A 25 ASN HBx A 25 ASN HD22 1.0 1.8 3.51 405 284 A 25 ASN HBy A 25 ASN HD22 1.0 1.8 3.51 406 284 A 25 ASN HD21 A 25 ASN HBy 1.0 1.8 3.51 407 284 A 25 ASN HBx A 25 ASN HD21 1.0 1.8 3.51 408 285 A 27 ALA H A 25 ASN HBy 1.0 1.8 4.40 409 285 A 27 ALA H A 25 ASN HBx 1.0 1.8 4.40 410 286 A 26 ASP H A 25 ASN HBy 1.0 1.8 4.43 411 287 A 25 ASN HBx A 26 ASP H 1.0 1.8 4.43 412 288 A 27 ALA HB% A 25 ASN HD22 1.0 1.8 4.46 413 288 A 27 ALA HB% A 25 ASN HD21 1.0 1.8 4.46 414 289 A 27 ALA HB% A 26 ASP HBx 1.0 1.8 5.57 415 289 A 27 ALA HB% A 26 ASP HBy 1.0 1.8 5.57 416 290 A 28 VAL HG2% A 26 ASP HBx 1.0 1.8 5.65 417 290 A 28 VAL HG2% A 26 ASP HBy 1.0 1.8 5.65 418 291 A 27 ALA H A 26 ASP H 1.0 1.8 4.03 419 292 A 27 ALA HA A 28 VAL HB 1.0 1.8 5.25 420 293 A 28 VAL HG2% A 27 ALA HA 1.0 1.8 4.47 421 294 A 27 ALA HA A 28 VAL H 1.0 1.8 3.27 422 295 A 27 ALA HB% A 27 ALA H 1.0 1.8 3.09 423 296 A 28 VAL HG1% A 28 VAL HA 1.0 1.8 4.49 424 297 A 28 VAL HG2% A 28 VAL HA 1.0 1.8 3.77 425 298 A 28 VAL HB A 30 PHE HE% 1.0 1.8 5.07 426 299 A 28 VAL HB A 30 PHE HZ 1.0 1.8 4.42 427 300 A 28 VAL HG1% A 29 ALA HA 1.0 1.8 5.59 428 301 A 28 VAL HG1% A 29 ALA HB% 1.0 1.8 5.30 429 302 A 28 VAL HG1% A 29 ALA H 1.0 1.8 4.77 430 303 A 28 VAL HG1% A 30 PHE HE% 1.0 1.8 5.12 431 304 A 28 VAL HG1% A 30 PHE HZ 1.0 1.8 4.95 432 305 A 29 ALA H A 28 VAL HG2% 1.0 1.8 4.65 433 306 A 28 VAL HG2% A 30 PHE HE% 1.0 1.8 4.94 434 307 A 28 VAL HG2% A 30 PHE HZ 1.0 1.8 4.99 435 308 A 28 VAL HG2% A 28 VAL H 1.0 1.8 4.15 436 309 A 29 ALA HA A 30 PHE HBy 1.0 1.8 5.15 437 309 A 29 ALA HA A 30 PHE HBx 1.0 1.8 5.15 438 310 A 29 ALA HA A 30 PHE HD% 1.0 1.8 5.64 439 311 A 29 ALA HA A 30 PHE H 1.0 1.8 3.22 440 312 A 29 ALA HB% A 30 PHE H 1.0 1.8 3.97 441 313 A 29 ALA HB% A 50 LEU HD1% 1.0 1.8 3.54 442 314 A 29 ALA HB% A 50 LEU HD2% 1.0 1.8 2.92 443 315 A 30 PHE HA A 30 PHE HD% 1.0 1.8 4.70 444 316 A 30 PHE HA A 31 GLU HGy 1.0 1.8 5.74 445 317 A 31 GLU HGx A 30 PHE HA 1.0 1.8 5.74 446 318 A 31 GLU H A 30 PHE HA 1.0 1.8 3.33 447 319 A 30 PHE HBx A 31 GLU HBy 1.0 1.8 5.59 448 319 A 30 PHE HBy A 31 GLU HBy 1.0 1.8 5.59 449 319 A 31 GLU HBx A 30 PHE HBy 1.0 1.8 5.59 450 319 A 30 PHE HBx A 31 GLU HBx 1.0 1.8 5.59 451 320 A 30 PHE HBy A 31 GLU HGy 1.0 1.8 4.81 452 320 A 30 PHE HBx A 31 GLU HGy 1.0 1.8 4.81 453 320 A 31 GLU HGx A 30 PHE HBy 1.0 1.8 4.81 454 320 A 31 GLU HGx A 30 PHE HBx 1.0 1.8 4.81 455 321 A 31 GLU HGx A 30 PHE HBy 1.0 1.8 4.94 456 321 A 30 PHE HBy A 31 GLU HGy 1.0 1.8 4.94 457 322 A 31 GLU H A 30 PHE HBy 1.0 1.8 4.88 458 323 A 31 GLU HGx A 30 PHE HBx 1.0 1.8 4.94 459 323 A 30 PHE HBx A 31 GLU HGy 1.0 1.8 4.94 460 324 A 31 GLU H A 30 PHE HBx 1.0 1.8 4.88 461 325 A 31 GLU H A 30 PHE HD% 1.0 1.8 5.35 462 326 A 30 PHE HD% A 30 PHE H 1.0 1.8 4.54 463 327 A 31 GLU HA A 31 GLU HGy 1.0 1.8 4.38 464 328 A 31 GLU HA A 31 GLU HGx 1.0 1.8 4.38 465 329 A 32 VAL HG1% A 31 GLU HA 1.0 1.8 5.47 466 330 A 32 VAL H A 31 GLU HA 1.0 1.8 3.51 467 331 A 32 VAL H A 31 GLU HBy 1.0 1.8 6.05 468 332 A 32 VAL H A 31 GLU HBx 1.0 1.8 6.05 469 333 A 32 VAL H A 31 GLU HGy 1.0 1.8 5.90 470 334 A 32 VAL H A 31 GLU HGx 1.0 1.8 5.90 471 335 A 31 GLU H A 31 GLU HGy 1.0 1.8 4.64 472 336 A 31 GLU HGx A 31 GLU H 1.0 1.8 4.64 473 337 A 32 VAL H A 31 GLU H 1.0 1.8 3.82 474 338 A 32 VAL HG1% A 32 VAL HA 1.0 1.8 3.70 475 339 A 32 VAL HA A 32 VAL HG2% 1.0 1.8 3.56 476 340 A 32 VAL HA A 33 LYS HBx 1.0 1.8 4.60 477 340 A 33 LYS HBy A 32 VAL HA 1.0 1.8 4.60 478 341 A 32 VAL HA A 33 LYS H 1.0 1.8 3.11 479 342 A 32 VAL HB A 34 LEU HD1% 1.0 1.8 5.06 480 343 A 32 VAL HB A 34 LEU HG 1.0 1.8 5.32 481 344 A 32 VAL HG2% A 33 LYS H 1.0 1.8 4.19 482 345 A 32 VAL HG2% A 34 LEU HG 1.0 1.8 3.47 483 346 A 32 VAL H A 32 VAL HB 1.0 1.8 3.25 484 347 A 32 VAL HG1% A 32 VAL H 1.0 1.8 3.71 485 348 A 32 VAL H A 32 VAL HG2% 1.0 1.8 4.30 486 349 A 32 VAL H A 33 LYS H 1.0 1.8 5.27 487 350 A 33 LYS HA A 33 LYS HDx 1.0 1.8 4.63 488 350 A 33 LYS HDy A 33 LYS HA 1.0 1.8 4.63 489 351 A 33 LYS HA A 33 LYS HGx 1.0 1.8 3.85 490 351 A 33 LYS HGy A 33 LYS HA 1.0 1.8 3.85 491 352 A 33 LYS HA A 34 LEU HBy 1.0 1.8 5.74 492 352 A 33 LYS HA A 34 LEU HBx 1.0 1.8 5.74 493 353 A 33 LYS HA A 34 LEU HG 1.0 1.8 5.32 494 354 A 34 LEU H A 33 LYS HA 1.0 1.8 3.13 495 355 A 33 LYS HBx A 33 LYS HDx 1.0 1.8 3.65 496 355 A 33 LYS HBy A 33 LYS HDx 1.0 1.8 3.65 497 355 A 33 LYS HDy A 33 LYS HBx 1.0 1.8 3.65 498 355 A 33 LYS HBy A 33 LYS HDy 1.0 1.8 3.65 499 356 A 33 LYS HBx A 33 LYS HEx 1.0 1.8 4.28 500 356 A 33 LYS HBy A 33 LYS HEx 1.0 1.8 4.28 501 356 A 33 LYS HEy A 33 LYS HBx 1.0 1.8 4.28 502 356 A 33 LYS HBy A 33 LYS HEy 1.0 1.8 4.28 503 357 A 34 LEU HD2% A 33 LYS HBx 1.0 1.8 5.73 504 357 A 33 LYS HBy A 34 LEU HD2% 1.0 1.8 5.73 505 358 A 34 LEU H A 33 LYS HBx 1.0 1.8 4.47 506 358 A 33 LYS HBy A 34 LEU H 1.0 1.8 4.47 507 359 A 34 LEU H A 33 LYS HDx 1.0 1.8 6.05 508 359 A 33 LYS HDy A 34 LEU H 1.0 1.8 6.05 509 360 A 34 LEU H A 33 LYS HEx 1.0 1.8 6.05 510 360 A 34 LEU H A 33 LYS HEy 1.0 1.8 6.05 511 361 A 33 LYS HEy A 33 LYS HGx 1.0 1.8 3.29 512 361 A 33 LYS HGy A 33 LYS HEx 1.0 1.8 3.29 513 361 A 33 LYS HEy A 33 LYS HGy 1.0 1.8 3.29 514 361 A 33 LYS HEx A 33 LYS HGx 1.0 1.8 3.29 515 362 A 34 LEU H A 33 LYS HGx 1.0 1.8 4.51 516 362 A 34 LEU H A 33 LYS HGy 1.0 1.8 4.51 517 363 A 33 LYS H A 33 LYS HBx 1.0 1.8 3.27 518 363 A 33 LYS HBy A 33 LYS H 1.0 1.8 3.27 519 364 A 33 LYS H A 33 LYS HDx 1.0 1.8 5.21 520 364 A 33 LYS HDy A 33 LYS H 1.0 1.8 5.21 521 365 A 33 LYS H A 33 LYS HEx 1.0 1.8 5.97 522 365 A 33 LYS HEy A 33 LYS H 1.0 1.8 5.97 523 366 A 33 LYS H A 33 LYS HGx 1.0 1.8 5.26 524 367 A 33 LYS HGy A 33 LYS H 1.0 1.8 5.26 525 368 A 33 LYS H A 34 LEU HD2% 1.0 1.8 5.91 526 369 A 34 LEU H A 33 LYS H 1.0 1.8 4.99 527 370 A 34 LEU HA A 34 LEU HD1% 1.0 1.8 4.69 528 371 A 34 LEU HA A 34 LEU HD2% 1.0 1.8 3.18 529 372 A 34 LEU HA A 38 LEU HD1% 1.0 1.8 4.69 530 373 A 34 LEU HA A 79 LEU HD2% 1.0 1.8 4.82 531 374 A 34 LEU HD2% A 34 LEU HBy 1.0 1.8 3.73 532 374 A 34 LEU HBx A 34 LEU HD2% 1.0 1.8 3.73 533 375 A 43 LEU HD1% A 34 LEU HBy 1.0 1.8 4.47 534 375 A 34 LEU HBx A 43 LEU HD1% 1.0 1.8 4.47 535 376 A 34 LEU HD1% A 34 LEU HBy 1.0 1.8 3.50 536 377 A 35 ALA H A 34 LEU HBy 1.0 1.8 5.52 537 378 A 79 LEU HD2% A 34 LEU HBy 1.0 1.8 3.53 538 379 A 34 LEU HD1% A 34 LEU HBx 1.0 1.8 3.50 539 380 A 35 ALA H A 34 LEU HBx 1.0 1.8 5.52 540 381 A 79 LEU HD2% A 34 LEU HBx 1.0 1.8 3.53 541 382 A 35 ALA H A 34 LEU HD1% 1.0 1.8 6.00 542 383 A 35 ALA H A 34 LEU HD2% 1.0 1.8 4.17 543 384 A 34 LEU HD2% A 46 LYS HDx 1.0 1.8 3.61 544 384 A 34 LEU HD2% A 46 LYS HDy 1.0 1.8 3.61 545 385 A 34 LEU HD2% A 46 LYS HEx 1.0 1.8 4.61 546 385 A 34 LEU HD2% A 46 LYS HEy 1.0 1.8 4.61 547 386 A 35 ALA H A 34 LEU HG 1.0 1.8 5.68 548 387 A 34 LEU H A 34 LEU HBy 1.0 1.8 3.82 549 387 A 34 LEU H A 34 LEU HBx 1.0 1.8 3.82 550 388 A 34 LEU H A 34 LEU HD1% 1.0 1.8 4.71 551 389 A 34 LEU H A 34 LEU HD2% 1.0 1.8 4.70 552 390 A 34 LEU H A 34 LEU HG 1.0 1.8 4.21 553 391 A 34 LEU H A 79 LEU HD2% 1.0 1.8 6.05 554 392 A 35 ALA HA A 36 LYS HBy 1.0 1.8 5.87 555 392 A 35 ALA HA A 36 LYS HBx 1.0 1.8 5.87 556 393 A 35 ALA HA A 36 LYS HDx 1.0 1.8 6.05 557 393 A 35 ALA HA A 36 LYS HDy 1.0 1.8 6.05 558 394 A 35 ALA HA A 36 LYS H 1.0 1.8 3.21 559 395 A 35 ALA HA A 37 ASP H 1.0 1.8 4.57 560 396 A 35 ALA HA A 38 LEU HD1% 1.0 1.8 6.05 561 397 A 35 ALA HA A 38 LEU H 1.0 1.8 5.22 562 398 A 35 ALA HA A 79 LEU HD2% 1.0 1.8 5.16 563 399 A 35 ALA HB% A 36 LYS HA 1.0 1.8 5.22 564 400 A 35 ALA HB% A 36 LYS H 1.0 1.8 3.88 565 401 A 35 ALA HB% A 37 ASP H 1.0 1.8 3.34 566 402 A 35 ALA HB% A 38 LEU HG 1.0 1.8 3.49 567 403 A 35 ALA HB% A 38 LEU H 1.0 1.8 3.63 568 404 A 35 ALA HB% A 35 ALA H 1.0 1.8 3.04 569 405 A 36 LYS H A 35 ALA H 1.0 1.8 5.15 570 406 A 35 ALA H A 37 ASP H 1.0 1.8 6.05 571 407 A 35 ALA H A 38 LEU HBy 1.0 1.8 6.05 572 407 A 35 ALA H A 38 LEU HBx 1.0 1.8 6.05 573 408 A 35 ALA H A 38 LEU HD1% 1.0 1.8 4.79 574 409 A 35 ALA H A 38 LEU HD2% 1.0 1.8 6.05 575 410 A 35 ALA H A 38 LEU HG 1.0 1.8 4.66 576 411 A 35 ALA H A 43 LEU HD1% 1.0 1.8 6.05 577 412 A 35 ALA H A 46 LYS HDx 1.0 1.8 6.05 578 412 A 35 ALA H A 46 LYS HDy 1.0 1.8 6.05 579 413 A 35 ALA H A 79 LEU HD2% 1.0 1.8 4.33 580 414 A 36 LYS HA A 36 LYS HDx 1.0 1.8 4.81 581 414 A 36 LYS HDy A 36 LYS HA 1.0 1.8 4.81 582 415 A 36 LYS HA A 36 LYS HEx 1.0 1.8 6.05 583 415 A 36 LYS HA A 36 LYS HEy 1.0 1.8 6.05 584 416 A 36 LYS HA A 36 LYS HGy 1.0 1.8 3.97 585 416 A 36 LYS HA A 36 LYS HGx 1.0 1.8 3.97 586 417 A 36 LYS HA A 37 ASP HA 1.0 1.8 5.91 587 418 A 36 LYS HA A 38 LEU H 1.0 1.8 4.55 588 419 A 36 LYS HA A 79 LEU HBx 1.0 1.8 3.74 589 419 A 36 LYS HA A 79 LEU HBy 1.0 1.8 3.74 590 420 A 36 LYS HA A 79 LEU HD1% 1.0 1.8 5.78 591 421 A 36 LYS HA A 79 LEU HD2% 1.0 1.8 3.71 592 422 A 36 LYS HA A 79 LEU HG 1.0 1.8 4.69 593 423 A 36 LYS HA A 79 LEU H 1.0 1.8 5.02 594 424 A 36 LYS HA A 80 GLY H 1.0 1.8 4.41 595 425 A 36 LYS HBy A 36 LYS HEx 1.0 1.8 4.95 596 425 A 36 LYS HBx A 36 LYS HEx 1.0 1.8 4.95 597 425 A 36 LYS HEy A 36 LYS HBy 1.0 1.8 4.95 598 425 A 36 LYS HEy A 36 LYS HBx 1.0 1.8 4.95 599 426 A 37 ASP H A 36 LYS HBy 1.0 1.8 4.39 600 426 A 36 LYS HBx A 37 ASP H 1.0 1.8 4.39 601 427 A 36 LYS HBy A 80 GLY HAy 1.0 1.8 4.40 602 427 A 36 LYS HBx A 80 GLY HAy 1.0 1.8 4.40 603 428 A 80 GLY HAx A 36 LYS HBx 1.0 1.8 4.40 604 428 A 80 GLY HAx A 36 LYS HBy 1.0 1.8 4.40 605 429 A 80 GLY H A 36 LYS HBy 1.0 1.8 4.06 606 429 A 36 LYS HBx A 80 GLY H 1.0 1.8 4.06 607 430 A 37 ASP H A 36 LYS HDx 1.0 1.8 5.52 608 430 A 36 LYS HDy A 37 ASP H 1.0 1.8 5.52 609 431 A 36 LYS HDy A 80 GLY HAy 1.0 1.8 5.69 610 431 A 36 LYS HDx A 80 GLY HAy 1.0 1.8 5.69 611 431 A 80 GLY HAx A 36 LYS HDx 1.0 1.8 5.69 612 431 A 36 LYS HDy A 80 GLY HAx 1.0 1.8 5.69 613 432 A 36 LYS HEy A 36 LYS HGy 1.0 1.8 3.59 614 432 A 36 LYS HEx A 36 LYS HGy 1.0 1.8 3.59 615 432 A 36 LYS HGx A 36 LYS HEx 1.0 1.8 3.59 616 432 A 36 LYS HEy A 36 LYS HGx 1.0 1.8 3.59 617 433 A 36 LYS HGx A 80 GLY HAy 1.0 1.8 5.03 618 433 A 36 LYS HGy A 80 GLY HAy 1.0 1.8 5.03 619 433 A 80 GLY HAx A 36 LYS HGy 1.0 1.8 5.03 620 433 A 36 LYS HGx A 80 GLY HAx 1.0 1.8 5.03 621 434 A 80 GLY HAx A 36 LYS HGy 1.0 1.8 6.05 622 434 A 36 LYS HGy A 80 GLY HAy 1.0 1.8 6.05 623 435 A 80 GLY H A 36 LYS HGy 1.0 1.8 6.05 624 436 A 36 LYS HGx A 80 GLY HAx 1.0 1.8 6.05 625 436 A 36 LYS HGx A 80 GLY HAy 1.0 1.8 6.05 626 437 A 36 LYS HGx A 80 GLY H 1.0 1.8 6.05 627 438 A 36 LYS H A 36 LYS HBy 1.0 1.8 4.03 628 439 A 36 LYS H A 36 LYS HBx 1.0 1.8 4.03 629 440 A 36 LYS H A 36 LYS HDx 1.0 1.8 4.11 630 440 A 36 LYS HDy A 36 LYS H 1.0 1.8 4.11 631 441 A 36 LYS H A 36 LYS HEx 1.0 1.8 4.91 632 441 A 36 LYS H A 36 LYS HEy 1.0 1.8 4.91 633 442 A 36 LYS H A 36 LYS HGy 1.0 1.8 3.90 634 442 A 36 LYS H A 36 LYS HGx 1.0 1.8 3.90 635 443 A 36 LYS H A 37 ASP H 1.0 1.8 3.41 636 444 A 36 LYS H A 79 LEU HD2% 1.0 1.8 5.10 637 445 A 37 ASP HA A 78 GLN HBy 1.0 1.8 5.17 638 446 A 37 ASP HA A 78 GLN HBx 1.0 1.8 5.17 639 447 A 37 ASP HA A 78 GLN HE21 1.0 1.8 5.39 640 448 A 37 ASP HA A 78 GLN HE22 1.0 1.8 5.39 641 449 A 37 ASP HA A 78 GLN HGy 1.0 1.8 5.41 642 449 A 37 ASP HA A 78 GLN HGx 1.0 1.8 5.41 643 450 A 37 ASP HA A 79 LEU H 1.0 1.8 5.65 644 451 A 37 ASP HA A 80 GLY H 1.0 1.8 5.25 645 452 A 38 LEU H A 37 ASP HBx 1.0 1.8 4.29 646 452 A 38 LEU H A 37 ASP HBy 1.0 1.8 4.29 647 453 A 78 GLN HE21 A 37 ASP HBy 1.0 1.8 4.38 648 453 A 78 GLN HE22 A 37 ASP HBx 1.0 1.8 4.38 649 453 A 78 GLN HE21 A 37 ASP HBx 1.0 1.8 4.38 650 453 A 78 GLN HE22 A 37 ASP HBy 1.0 1.8 4.38 651 454 A 37 ASP H A 37 ASP HBx 1.0 1.8 3.45 652 454 A 37 ASP H A 37 ASP HBy 1.0 1.8 3.45 653 455 A 37 ASP H A 38 LEU HD2% 1.0 1.8 6.05 654 456 A 37 ASP H A 38 LEU H 1.0 1.8 3.28 655 457 A 79 LEU HD2% A 37 ASP H 1.0 1.8 6.05 656 458 A 38 LEU HD1% A 38 LEU HA 1.0 1.8 4.30 657 459 A 38 LEU HD2% A 38 LEU HA 1.0 1.8 3.41 658 460 A 38 LEU HG A 38 LEU HA 1.0 1.8 4.23 659 461 A 38 LEU HA A 39 THR HG2% 1.0 1.8 4.55 660 462 A 38 LEU HA A 39 THR H 1.0 1.8 3.13 661 463 A 38 LEU HA A 42 GLN HBy 1.0 1.8 4.70 662 463 A 38 LEU HA A 42 GLN HBx 1.0 1.8 4.70 663 464 A 38 LEU HD2% A 38 LEU HBy 1.0 1.8 3.36 664 464 A 38 LEU HBx A 38 LEU HD2% 1.0 1.8 3.36 665 465 A 38 LEU HBx A 79 LEU HBx 1.0 1.8 4.18 666 465 A 38 LEU HBy A 79 LEU HBx 1.0 1.8 4.18 667 465 A 79 LEU HBy A 38 LEU HBy 1.0 1.8 4.18 668 465 A 38 LEU HBx A 79 LEU HBy 1.0 1.8 4.18 669 466 A 38 LEU HD1% A 38 LEU HBy 1.0 1.8 3.60 670 467 A 39 THR H A 38 LEU HBy 1.0 1.8 4.75 671 468 A 42 GLN HBx A 38 LEU HBy 1.0 1.8 5.04 672 468 A 38 LEU HBy A 42 GLN HBy 1.0 1.8 5.04 673 469 A 43 LEU H A 38 LEU HBy 1.0 1.8 6.05 674 470 A 79 LEU H A 38 LEU HBy 1.0 1.8 6.01 675 471 A 38 LEU HD1% A 38 LEU HBx 1.0 1.8 3.60 676 472 A 38 LEU HBx A 39 THR H 1.0 1.8 4.75 677 473 A 38 LEU HBx A 42 GLN HBx 1.0 1.8 5.04 678 473 A 38 LEU HBx A 42 GLN HBy 1.0 1.8 5.04 679 474 A 38 LEU HBx A 43 LEU H 1.0 1.8 6.05 680 475 A 38 LEU HBx A 79 LEU H 1.0 1.8 6.01 681 476 A 38 LEU HD1% A 39 THR H 1.0 1.8 4.84 682 477 A 38 LEU HD1% A 42 GLN HBy 1.0 1.8 4.40 683 477 A 38 LEU HD1% A 42 GLN HBx 1.0 1.8 4.40 684 478 A 38 LEU HD1% A 43 LEU HA 1.0 1.8 4.15 685 479 A 38 LEU HD1% A 46 LYS HEx 1.0 1.8 5.08 686 479 A 38 LEU HD1% A 46 LYS HEy 1.0 1.8 5.08 687 480 A 38 LEU HD2% A 39 THR H 1.0 1.8 4.03 688 481 A 38 LEU HD2% A 42 GLN HBy 1.0 1.8 4.58 689 482 A 38 LEU HD2% A 42 GLN HBx 1.0 1.8 4.58 690 483 A 38 LEU HD2% A 42 GLN HE21 1.0 1.8 5.35 691 483 A 38 LEU HD2% A 42 GLN HE22 1.0 1.8 5.35 692 484 A 38 LEU HD2% A 42 GLN HGy 1.0 1.8 5.18 693 485 A 38 LEU HD2% A 42 GLN HGx 1.0 1.8 5.18 694 486 A 38 LEU HD2% A 42 GLN H 1.0 1.8 6.05 695 487 A 38 LEU HD2% A 46 LYS HEx 1.0 1.8 4.26 696 487 A 46 LYS HEy A 38 LEU HD2% 1.0 1.8 4.26 697 488 A 38 LEU HG A 39 THR H 1.0 1.8 5.90 698 489 A 38 LEU HG A 42 GLN HBy 1.0 1.8 6.05 699 489 A 38 LEU HG A 42 GLN HBx 1.0 1.8 6.05 700 490 A 38 LEU H A 38 LEU HBy 1.0 1.8 4.07 701 491 A 38 LEU H A 38 LEU HBx 1.0 1.8 4.07 702 492 A 38 LEU HD1% A 38 LEU H 1.0 1.8 4.14 703 493 A 38 LEU H A 38 LEU HD2% 1.0 1.8 4.02 704 494 A 38 LEU H A 38 LEU HG 1.0 1.8 3.41 705 495 A 38 LEU H A 39 THR H 1.0 1.8 5.16 706 496 A 38 LEU H A 79 LEU HBx 1.0 1.8 4.84 707 496 A 38 LEU H A 79 LEU HBy 1.0 1.8 4.84 708 497 A 79 LEU HD2% A 38 LEU H 1.0 1.8 5.12 709 498 A 38 LEU H A 79 LEU H 1.0 1.8 4.79 710 499 A 39 THR HG2% A 39 THR HA 1.0 1.8 3.48 711 500 A 39 THR HA A 40 VAL HA 1.0 1.8 5.27 712 501 A 39 THR HA A 40 VAL HB 1.0 1.8 5.52 713 502 A 39 THR HA A 40 VAL HG2% 1.0 1.8 5.17 714 503 A 39 THR HA A 40 VAL H 1.0 1.8 3.50 715 504 A 39 THR HA A 41 ALA HB% 1.0 1.8 5.96 716 505 A 39 THR HA A 41 ALA H 1.0 1.8 5.14 717 506 A 39 THR HA A 42 GLN HBy 1.0 1.8 5.81 718 506 A 42 GLN HBx A 39 THR HA 1.0 1.8 5.81 719 507 A 42 GLN H A 39 THR HA 1.0 1.8 5.31 720 508 A 39 THR HA A 78 GLN HBy 1.0 1.8 6.05 721 508 A 39 THR HA A 78 GLN HBx 1.0 1.8 6.05 722 509 A 39 THR HA A 78 GLN HGy 1.0 1.8 5.39 723 510 A 78 GLN HGx A 39 THR HA 1.0 1.8 5.39 724 511 A 39 THR HA A 78 GLN H 1.0 1.8 5.29 725 512 A 79 LEU H A 39 THR HA 1.0 1.8 4.11 726 513 A 40 VAL HB A 39 THR HB 1.0 1.8 5.41 727 514 A 40 VAL HG2% A 39 THR HB 1.0 1.8 5.07 728 515 A 40 VAL H A 39 THR HB 1.0 1.8 4.07 729 516 A 41 ALA H A 39 THR HB 1.0 1.8 3.88 730 517 A 42 GLN H A 39 THR HB 1.0 1.8 4.66 731 518 A 41 ALA HB% A 39 THR HG1 1.0 1.8 4.85 732 519 A 42 GLN H A 39 THR HG1 1.0 1.8 4.95 733 520 A 39 THR HG2% A 39 THR HG1 1.0 1.8 4.42 734 521 A 39 THR HG2% A 40 VAL H 1.0 1.8 4.57 735 522 A 39 THR HG2% A 41 ALA H 1.0 1.8 4.83 736 523 A 39 THR HG2% A 42 GLN HBy 1.0 1.8 5.37 737 523 A 39 THR HG2% A 42 GLN HBx 1.0 1.8 5.37 738 524 A 39 THR HG2% A 42 GLN HE21 1.0 1.8 5.57 739 525 A 39 THR HG2% A 42 GLN HE22 1.0 1.8 5.57 740 526 A 39 THR HG2% A 42 GLN HGy 1.0 1.8 4.81 741 526 A 39 THR HG2% A 42 GLN HGx 1.0 1.8 4.81 742 527 A 39 THR HG2% A 42 GLN H 1.0 1.8 5.04 743 528 A 39 THR HG2% A 77 ALA H 1.0 1.8 5.62 744 529 A 78 GLN HE21 A 39 THR HG2% 1.0 1.8 5.87 745 529 A 78 GLN HE22 A 39 THR HG2% 1.0 1.8 5.87 746 530 A 39 THR HG2% A 78 GLN HGy 1.0 1.8 5.16 747 531 A 78 GLN HGx A 39 THR HG2% 1.0 1.8 5.16 748 532 A 79 LEU H A 39 THR HG2% 1.0 1.8 5.18 749 533 A 39 THR HG2% A 39 THR H 1.0 1.8 3.32 750 534 A 39 THR H A 41 ALA HB% 1.0 1.8 6.05 751 535 A 39 THR H A 42 GLN HA 1.0 1.8 5.60 752 536 A 39 THR H A 42 GLN HBy 1.0 1.8 4.05 753 537 A 39 THR H A 42 GLN HBx 1.0 1.8 4.05 754 538 A 39 THR H A 42 GLN HGy 1.0 1.8 4.99 755 538 A 39 THR H A 42 GLN HGx 1.0 1.8 4.99 756 539 A 39 THR H A 42 GLN H 1.0 1.8 4.43 757 540 A 39 THR H A 43 LEU HBy 1.0 1.8 6.05 758 540 A 39 THR H A 43 LEU HBx 1.0 1.8 6.05 759 541 A 39 THR H A 43 LEU H 1.0 1.8 4.92 760 542 A 40 VAL HA A 40 VAL HG1% 1.0 1.8 3.54 761 543 A 40 VAL HA A 40 VAL HG2% 1.0 1.8 3.40 762 544 A 42 GLN H A 40 VAL HA 1.0 1.8 5.16 763 545 A 40 VAL HA A 43 LEU HBy 1.0 1.8 4.38 764 546 A 40 VAL HA A 43 LEU HBx 1.0 1.8 4.38 765 547 A 43 LEU HD1% A 40 VAL HA 1.0 1.8 6.03 766 548 A 40 VAL HA A 43 LEU HD2% 1.0 1.8 4.13 767 549 A 43 LEU H A 40 VAL HA 1.0 1.8 4.10 768 550 A 40 VAL HA A 44 LYS H 1.0 1.8 4.84 769 551 A 40 VAL HB A 41 ALA HA 1.0 1.8 5.17 770 552 A 40 VAL HB A 41 ALA HB% 1.0 1.8 4.75 771 553 A 40 VAL HB A 41 ALA H 1.0 1.8 3.72 772 554 A 40 VAL HB A 72 MET HBy 1.0 1.8 5.08 773 554 A 40 VAL HB A 72 MET HBx 1.0 1.8 5.08 774 555 A 40 VAL HB A 75 ASN HA 1.0 1.8 4.11 775 556 A 40 VAL HB A 77 ALA H 1.0 1.8 4.71 776 557 A 40 VAL HG1% A 41 ALA HA 1.0 1.8 4.66 777 558 A 41 ALA H A 40 VAL HG1% 1.0 1.8 4.21 778 559 A 42 GLN H A 40 VAL HG1% 1.0 1.8 6.05 779 560 A 43 LEU H A 40 VAL HG1% 1.0 1.8 5.46 780 561 A 40 VAL HG1% A 44 LYS HDx 1.0 1.8 5.26 781 561 A 40 VAL HG1% A 44 LYS HDy 1.0 1.8 5.26 782 562 A 40 VAL HG1% A 44 LYS HEx 1.0 1.8 3.42 783 562 A 40 VAL HG1% A 44 LYS HEy 1.0 1.8 3.42 784 563 A 40 VAL HG1% A 44 LYS H 1.0 1.8 4.92 785 564 A 40 VAL HG1% A 72 MET HA 1.0 1.8 5.16 786 565 A 40 VAL HG1% A 72 MET HBy 1.0 1.8 4.38 787 566 A 40 VAL HG1% A 72 MET HBx 1.0 1.8 4.38 788 567 A 40 VAL HG1% A 72 MET H 1.0 1.8 5.75 789 568 A 40 VAL HG1% A 75 ASN HA 1.0 1.8 3.63 790 569 A 40 VAL HG1% A 75 ASN HBx 1.0 1.8 5.17 791 569 A 40 VAL HG1% A 75 ASN HBy 1.0 1.8 5.17 792 570 A 40 VAL HG1% A 75 ASN H 1.0 1.8 6.02 793 571 A 40 VAL HG1% A 82 TYR HD% 1.0 1.8 5.52 794 572 A 40 VAL HG2% A 41 ALA H 1.0 1.8 4.60 795 573 A 40 VAL HG2% A 74 ASN H 1.0 1.8 4.99 796 574 A 40 VAL HG2% A 75 ASN HA 1.0 1.8 4.08 797 575 A 40 VAL HG2% A 77 ALA H 1.0 1.8 4.14 798 576 A 40 VAL HG2% A 78 GLN HA 1.0 1.8 5.47 799 577 A 40 VAL HG2% A 79 LEU HA 1.0 1.8 4.25 800 578 A 79 LEU H A 40 VAL HG2% 1.0 1.8 5.35 801 579 A 40 VAL HG2% A 82 TYR HD% 1.0 1.8 3.65 802 580 A 40 VAL HG2% A 82 TYR HE% 1.0 1.8 3.49 803 581 A 40 VAL HB A 40 VAL H 1.0 1.8 3.52 804 582 A 40 VAL H A 40 VAL HG1% 1.0 1.8 4.50 805 583 A 40 VAL HG2% A 40 VAL H 1.0 1.8 3.42 806 584 A 40 VAL H A 41 ALA HB% 1.0 1.8 5.26 807 585 A 40 VAL H A 41 ALA H 1.0 1.8 4.23 808 586 A 42 GLN H A 40 VAL H 1.0 1.8 5.30 809 587 A 40 VAL H A 75 ASN HA 1.0 1.8 4.63 810 588 A 40 VAL H A 77 ALA HB% 1.0 1.8 5.08 811 589 A 40 VAL H A 77 ALA H 1.0 1.8 4.70 812 590 A 79 LEU H A 40 VAL H 1.0 1.8 5.42 813 591 A 41 ALA HA A 44 LYS HBy 1.0 1.8 4.28 814 591 A 41 ALA HA A 44 LYS HBx 1.0 1.8 4.28 815 592 A 41 ALA HA A 44 LYS HDx 1.0 1.8 4.25 816 592 A 41 ALA HA A 44 LYS HDy 1.0 1.8 4.25 817 593 A 41 ALA HA A 44 LYS HEx 1.0 1.8 5.78 818 593 A 41 ALA HA A 44 LYS HEy 1.0 1.8 5.78 819 594 A 41 ALA HA A 44 LYS HGx 1.0 1.8 5.03 820 594 A 41 ALA HA A 44 LYS HGy 1.0 1.8 5.03 821 595 A 44 LYS H A 41 ALA HA 1.0 1.8 4.47 822 596 A 41 ALA HB% A 42 GLN HBy 1.0 1.8 5.30 823 596 A 42 GLN HBx A 41 ALA HB% 1.0 1.8 5.30 824 597 A 42 GLN H A 41 ALA HB% 1.0 1.8 3.42 825 598 A 43 LEU H A 41 ALA HB% 1.0 1.8 5.52 826 599 A 41 ALA HB% A 44 LYS H 1.0 1.8 5.81 827 600 A 41 ALA HB% A 75 ASN HA 1.0 1.8 4.57 828 601 A 41 ALA HB% A 75 ASN HBx 1.0 1.8 3.27 829 601 A 41 ALA HB% A 75 ASN HBy 1.0 1.8 3.27 830 602 A 41 ALA HB% A 75 ASN HD21 1.0 1.8 5.22 831 603 A 41 ALA HB% A 75 ASN HD22 1.0 1.8 5.22 832 604 A 41 ALA HB% A 75 ASN H 1.0 1.8 6.05 833 605 A 41 ALA HB% A 41 ALA H 1.0 1.8 3.18 834 606 A 42 GLN H A 41 ALA H 1.0 1.8 3.82 835 607 A 43 LEU H A 41 ALA H 1.0 1.8 5.10 836 608 A 41 ALA H A 75 ASN HA 1.0 1.8 4.36 837 609 A 41 ALA H A 75 ASN HBx 1.0 1.8 4.73 838 609 A 41 ALA H A 75 ASN HBy 1.0 1.8 4.73 839 610 A 42 GLN HA A 42 GLN HGy 1.0 1.8 3.92 840 611 A 42 GLN HGx A 42 GLN HA 1.0 1.8 3.92 841 612 A 42 GLN HA A 45 THR HG2% 1.0 1.8 4.47 842 613 A 42 GLN HA A 45 THR H 1.0 1.8 4.71 843 614 A 42 GLN HBy A 43 LEU HBy 1.0 1.8 5.79 844 614 A 42 GLN HBx A 43 LEU HBy 1.0 1.8 5.79 845 614 A 43 LEU HBx A 42 GLN HBy 1.0 1.8 5.79 846 614 A 42 GLN HBx A 43 LEU HBx 1.0 1.8 5.79 847 615 A 43 LEU H A 42 GLN HBy 1.0 1.8 4.30 848 615 A 42 GLN HBx A 43 LEU H 1.0 1.8 4.30 849 616 A 42 GLN HE21 A 42 GLN HGx 1.0 1.8 3.87 850 616 A 42 GLN HE22 A 42 GLN HGy 1.0 1.8 3.87 851 616 A 42 GLN HE22 A 42 GLN HGx 1.0 1.8 3.87 852 616 A 42 GLN HE21 A 42 GLN HGy 1.0 1.8 3.87 853 617 A 43 LEU H A 42 GLN HGy 1.0 1.8 5.46 854 617 A 43 LEU H A 42 GLN HGx 1.0 1.8 5.46 855 618 A 42 GLN H A 42 GLN HBy 1.0 1.8 4.10 856 619 A 42 GLN HBx A 42 GLN H 1.0 1.8 4.10 857 620 A 42 GLN H A 42 GLN HGy 1.0 1.8 3.62 858 620 A 42 GLN H A 42 GLN HGx 1.0 1.8 3.62 859 621 A 43 LEU H A 42 GLN H 1.0 1.8 3.58 860 622 A 42 GLN H A 44 LYS H 1.0 1.8 5.65 861 623 A 43 LEU HD1% A 43 LEU HA 1.0 1.8 3.26 862 624 A 43 LEU HA A 43 LEU HD2% 1.0 1.8 4.58 863 625 A 43 LEU HA A 46 LYS HBy 1.0 1.8 5.42 864 626 A 43 LEU HA A 46 LYS HBx 1.0 1.8 5.42 865 627 A 43 LEU HA A 46 LYS HDx 1.0 1.8 4.25 866 627 A 46 LYS HDy A 43 LEU HA 1.0 1.8 4.25 867 628 A 43 LEU HA A 46 LYS H 1.0 1.8 4.30 868 629 A 43 LEU HA A 47 LEU HG 1.0 1.8 5.87 869 630 A 43 LEU HA A 47 LEU H 1.0 1.8 5.36 870 631 A 47 LEU HD1% A 43 LEU HBy 1.0 1.8 5.15 871 631 A 43 LEU HBx A 47 LEU HD1% 1.0 1.8 5.15 872 632 A 43 LEU HD1% A 43 LEU HBy 1.0 1.8 3.81 873 633 A 43 LEU HD2% A 43 LEU HBy 1.0 1.8 3.62 874 634 A 44 LYS H A 43 LEU HBy 1.0 1.8 4.89 875 635 A 43 LEU HD1% A 43 LEU HBx 1.0 1.8 3.81 876 636 A 43 LEU HBx A 43 LEU HD2% 1.0 1.8 3.62 877 637 A 43 LEU HBx A 44 LYS H 1.0 1.8 4.89 878 638 A 43 LEU HD1% A 44 LYS H 1.0 1.8 5.48 879 639 A 43 LEU HD1% A 46 LYS HDx 1.0 1.8 3.70 880 639 A 43 LEU HD1% A 46 LYS HDy 1.0 1.8 3.70 881 640 A 43 LEU HD1% A 46 LYS H 1.0 1.8 4.64 882 641 A 43 LEU HD1% A 47 LEU HG 1.0 1.8 3.51 883 642 A 43 LEU HD1% A 47 LEU H 1.0 1.8 4.74 884 643 A 43 LEU HD2% A 44 LYS H 1.0 1.8 4.77 885 644 A 43 LEU HD2% A 47 LEU HD1% 1.0 1.8 3.19 886 645 A 43 LEU HD2% A 47 LEU HG 1.0 1.8 5.12 887 646 A 43 LEU HD2% A 72 MET HE% 1.0 1.8 3.45 888 647 A 44 LYS H A 43 LEU HG 1.0 1.8 4.13 889 648 A 47 LEU HD1% A 43 LEU HG 1.0 1.8 3.52 890 649 A 47 LEU HG A 43 LEU HG 1.0 1.8 4.40 891 650 A 43 LEU H A 43 LEU HBy 1.0 1.8 3.56 892 651 A 43 LEU H A 43 LEU HBx 1.0 1.8 3.56 893 652 A 43 LEU HD1% A 43 LEU H 1.0 1.8 4.82 894 653 A 43 LEU H A 43 LEU HD2% 1.0 1.8 4.77 895 654 A 43 LEU H A 43 LEU HG 1.0 1.8 5.62 896 655 A 43 LEU H A 44 LYS H 1.0 1.8 3.82 897 656 A 43 LEU H A 45 THR H 1.0 1.8 5.41 898 657 A 44 LYS HA A 44 LYS HGx 1.0 1.8 3.50 899 657 A 44 LYS HGy A 44 LYS HA 1.0 1.8 3.50 900 658 A 44 LYS HA A 47 LEU HBy 1.0 1.8 4.93 901 659 A 44 LYS HA A 47 LEU HBx 1.0 1.8 4.93 902 660 A 47 LEU HD1% A 44 LYS HA 1.0 1.8 3.71 903 661 A 47 LEU HG A 44 LYS HA 1.0 1.8 5.50 904 662 A 47 LEU H A 44 LYS HA 1.0 1.8 4.50 905 663 A 44 LYS HA A 48 GLU H 1.0 1.8 5.36 906 664 A 44 LYS HBy A 44 LYS HEx 1.0 1.8 5.06 907 664 A 44 LYS HBx A 44 LYS HEx 1.0 1.8 5.06 908 664 A 44 LYS HEy A 44 LYS HBy 1.0 1.8 5.06 909 664 A 44 LYS HEy A 44 LYS HBx 1.0 1.8 5.06 910 665 A 55 ALA HA A 44 LYS HBy 1.0 1.8 4.97 911 665 A 44 LYS HBx A 55 ALA HA 1.0 1.8 4.97 912 666 A 45 THR H A 44 LYS HBy 1.0 1.8 4.22 913 667 A 44 LYS HBx A 45 THR H 1.0 1.8 4.22 914 668 A 60 VAL HG2% A 44 LYS HDx 1.0 1.8 4.95 915 668 A 44 LYS HDy A 60 VAL HG2% 1.0 1.8 4.95 916 669 A 60 VAL H A 44 LYS HDx 1.0 1.8 6.05 917 669 A 44 LYS HDy A 60 VAL H 1.0 1.8 6.05 918 670 A 60 VAL HG2% A 44 LYS HEx 1.0 1.8 3.86 919 670 A 44 LYS HEy A 60 VAL HG2% 1.0 1.8 3.86 920 671 A 60 VAL H A 44 LYS HEx 1.0 1.8 5.17 921 671 A 44 LYS HEy A 60 VAL H 1.0 1.8 5.17 922 672 A 55 ALA HA A 44 LYS HGx 1.0 1.8 5.80 923 672 A 44 LYS HGy A 55 ALA HA 1.0 1.8 5.80 924 673 A 44 LYS HGx A 58 MET HGx 1.0 1.8 5.76 925 673 A 44 LYS HGy A 58 MET HGx 1.0 1.8 5.76 926 673 A 58 MET HGy A 44 LYS HGx 1.0 1.8 5.76 927 673 A 44 LYS HGy A 58 MET HGy 1.0 1.8 5.76 928 674 A 60 VAL HG2% A 44 LYS HGx 1.0 1.8 4.35 929 674 A 44 LYS HGy A 60 VAL HG2% 1.0 1.8 4.35 930 675 A 44 LYS H A 44 LYS HBy 1.0 1.8 3.50 931 675 A 44 LYS H A 44 LYS HBx 1.0 1.8 3.50 932 676 A 44 LYS H A 44 LYS HEx 1.0 1.8 5.30 933 676 A 44 LYS H A 44 LYS HEy 1.0 1.8 5.30 934 677 A 44 LYS H A 45 THR H 1.0 1.8 3.96 935 678 A 44 LYS H A 47 LEU HD1% 1.0 1.8 4.93 936 679 A 45 THR HG2% A 45 THR HA 1.0 1.8 3.63 937 680 A 47 LEU H A 45 THR HA 1.0 1.8 5.80 938 681 A 45 THR HA A 48 GLU HBx 1.0 1.8 4.21 939 681 A 45 THR HA A 48 GLU HBy 1.0 1.8 4.21 940 682 A 45 THR HA A 48 GLU HGy 1.0 1.8 5.31 941 683 A 45 THR HA A 48 GLU HGx 1.0 1.8 5.31 942 684 A 48 GLU H A 45 THR HA 1.0 1.8 4.33 943 685 A 45 THR HA A 49 ILE H 1.0 1.8 5.72 944 686 A 45 THR HA A 55 ALA HB% 1.0 1.8 4.05 945 687 A 46 LYS H A 45 THR HB 1.0 1.8 4.69 946 688 A 45 THR HG2% A 46 LYS H 1.0 1.8 4.36 947 689 A 45 THR H A 45 THR HB 1.0 1.8 3.41 948 690 A 45 THR HG2% A 45 THR H 1.0 1.8 3.84 949 691 A 45 THR H A 47 LEU H 1.0 1.8 5.38 950 692 A 45 THR H A 55 ALA HB% 1.0 1.8 4.54 951 693 A 46 LYS HA A 46 LYS HDx 1.0 1.8 4.62 952 693 A 46 LYS HDy A 46 LYS HA 1.0 1.8 4.62 953 694 A 46 LYS HA A 46 LYS HGy 1.0 1.8 4.29 954 695 A 46 LYS HA A 46 LYS HGx 1.0 1.8 4.29 955 696 A 46 LYS HA A 49 ILE HB 1.0 1.8 4.42 956 697 A 46 LYS HA A 49 ILE HD1% 1.0 1.8 4.44 957 698 A 46 LYS HA A 49 ILE HG1y 1.0 1.8 5.72 958 699 A 46 LYS HA A 49 ILE HG1x 1.0 1.8 5.72 959 700 A 49 ILE H A 46 LYS HA 1.0 1.8 4.68 960 701 A 47 LEU H A 46 LYS HBy 1.0 1.8 4.02 961 701 A 47 LEU H A 46 LYS HBx 1.0 1.8 4.02 962 702 A 46 LYS HDy A 46 LYS HBy 1.0 1.8 4.18 963 702 A 46 LYS HBy A 46 LYS HDx 1.0 1.8 4.18 964 703 A 46 LYS HDy A 46 LYS HBx 1.0 1.8 4.18 965 703 A 46 LYS HBx A 46 LYS HDx 1.0 1.8 4.18 966 704 A 47 LEU H A 46 LYS HGy 1.0 1.8 5.13 967 704 A 47 LEU H A 46 LYS HGx 1.0 1.8 5.13 968 705 A 46 LYS H A 46 LYS HBy 1.0 1.8 4.19 969 706 A 46 LYS H A 46 LYS HBx 1.0 1.8 4.19 970 707 A 46 LYS H A 46 LYS HDx 1.0 1.8 4.58 971 707 A 46 LYS HDy A 46 LYS H 1.0 1.8 4.58 972 708 A 46 LYS H A 46 LYS HGy 1.0 1.8 4.42 973 709 A 46 LYS H A 46 LYS HGx 1.0 1.8 4.42 974 710 A 46 LYS H A 47 LEU HD1% 1.0 1.8 6.05 975 711 A 46 LYS H A 47 LEU HD2% 1.0 1.8 5.82 976 712 A 46 LYS H A 47 LEU H 1.0 1.8 3.66 977 713 A 46 LYS H A 48 GLU H 1.0 1.8 5.03 978 714 A 46 LYS H A 49 ILE HG1y 1.0 1.8 6.15 979 714 A 46 LYS H A 49 ILE HG1x 1.0 1.8 6.15 980 715 A 46 LYS H A 58 MET HE% 1.0 1.8 6.05 981 716 A 47 LEU HD1% A 47 LEU HA 1.0 1.8 4.55 982 717 A 47 LEU HD2% A 47 LEU HA 1.0 1.8 3.16 983 718 A 49 ILE H A 47 LEU HA 1.0 1.8 5.51 984 719 A 47 LEU HA A 50 LEU HBy 1.0 1.8 4.21 985 720 A 47 LEU HA A 50 LEU HBx 1.0 1.8 4.21 986 721 A 47 LEU HA A 50 LEU H 1.0 1.8 4.03 987 722 A 47 LEU HA A 51 THR H 1.0 1.8 4.92 988 723 A 47 LEU HD2% A 47 LEU HBy 1.0 1.8 3.34 989 723 A 47 LEU HD2% A 47 LEU HBx 1.0 1.8 3.34 990 724 A 50 LEU H A 47 LEU HBy 1.0 1.8 6.05 991 724 A 50 LEU H A 47 LEU HBx 1.0 1.8 6.05 992 725 A 92 VAL HG2% A 47 LEU HBy 1.0 1.8 4.22 993 725 A 92 VAL HG2% A 47 LEU HBx 1.0 1.8 4.22 994 726 A 47 LEU HD1% A 47 LEU HBy 1.0 1.8 3.72 995 727 A 48 GLU H A 47 LEU HBy 1.0 1.8 4.66 996 728 A 58 MET HE% A 47 LEU HBy 1.0 1.8 3.85 997 729 A 47 LEU HD1% A 47 LEU HBx 1.0 1.8 3.72 998 730 A 48 GLU H A 47 LEU HBx 1.0 1.8 4.66 999 731 A 58 MET HE% A 47 LEU HBx 1.0 1.8 3.85 1000 732 A 47 LEU HD1% A 48 GLU H 1.0 1.8 5.71 1001 733 A 47 LEU HD1% A 58 MET HE% 1.0 1.8 3.87 1002 734 A 92 VAL HA A 47 LEU HD1% 1.0 1.8 5.38 1003 735 A 92 VAL HG2% A 47 LEU HD1% 1.0 1.8 2.99 1004 736 A 48 GLU H A 47 LEU HD2% 1.0 1.8 5.68 1005 737 A 47 LEU HD2% A 50 LEU H 1.0 1.8 6.05 1006 738 A 92 VAL HG2% A 47 LEU HG 1.0 1.8 5.78 1007 739 A 47 LEU H A 47 LEU HBy 1.0 1.8 4.16 1008 740 A 47 LEU H A 47 LEU HBx 1.0 1.8 4.16 1009 741 A 47 LEU H A 47 LEU HD1% 1.0 1.8 4.68 1010 742 A 47 LEU H A 47 LEU HD2% 1.0 1.8 4.30 1011 743 A 47 LEU HG A 47 LEU H 1.0 1.8 3.84 1012 744 A 47 LEU H A 48 GLU HBx 1.0 1.8 5.37 1013 744 A 47 LEU H A 48 GLU HBy 1.0 1.8 5.37 1014 745 A 47 LEU H A 48 GLU H 1.0 1.8 3.75 1015 746 A 47 LEU H A 58 MET HE% 1.0 1.8 4.59 1016 747 A 48 GLU HA A 48 GLU HGy 1.0 1.8 4.31 1017 748 A 48 GLU HA A 48 GLU HGx 1.0 1.8 4.31 1018 749 A 51 THR H A 48 GLU HA 1.0 1.8 5.32 1019 750 A 48 GLU HA A 52 GLY H 1.0 1.8 4.22 1020 751 A 48 GLU HA A 53 GLY H 1.0 1.8 4.64 1021 752 A 58 MET HE% A 48 GLU HA 1.0 1.8 3.71 1022 753 A 49 ILE HD1% A 48 GLU HBx 1.0 1.8 6.05 1023 753 A 48 GLU HBy A 49 ILE HD1% 1.0 1.8 6.05 1024 754 A 49 ILE HG2% A 48 GLU HBx 1.0 1.8 6.05 1025 754 A 48 GLU HBy A 49 ILE HG2% 1.0 1.8 6.05 1026 755 A 49 ILE H A 48 GLU HBx 1.0 1.8 3.98 1027 755 A 48 GLU HBy A 49 ILE H 1.0 1.8 3.98 1028 756 A 50 LEU H A 48 GLU HBx 1.0 1.8 5.76 1029 756 A 48 GLU HBy A 50 LEU H 1.0 1.8 5.76 1030 757 A 54 CYS HA A 48 GLU HBx 1.0 1.8 5.00 1031 757 A 48 GLU HBy A 54 CYS HA 1.0 1.8 5.00 1032 758 A 55 ALA HA A 48 GLU HBx 1.0 1.8 4.82 1033 758 A 55 ALA HA A 48 GLU HBy 1.0 1.8 4.82 1034 759 A 55 ALA HB% A 48 GLU HBx 1.0 1.8 4.44 1035 759 A 48 GLU HBy A 55 ALA HB% 1.0 1.8 4.44 1036 760 A 55 ALA H A 48 GLU HBx 1.0 1.8 4.37 1037 760 A 48 GLU HBy A 55 ALA H 1.0 1.8 4.37 1038 761 A 49 ILE HD1% A 48 GLU HGy 1.0 1.8 6.05 1039 761 A 49 ILE HD1% A 48 GLU HGx 1.0 1.8 6.05 1040 762 A 55 ALA HA A 48 GLU HGy 1.0 1.8 5.06 1041 762 A 55 ALA HA A 48 GLU HGx 1.0 1.8 5.06 1042 763 A 49 ILE H A 48 GLU HGy 1.0 1.8 5.37 1043 764 A 54 CYS HA A 48 GLU HGy 1.0 1.8 5.32 1044 765 A 55 ALA HB% A 48 GLU HGy 1.0 1.8 4.91 1045 766 A 55 ALA H A 48 GLU HGy 1.0 1.8 5.07 1046 767 A 58 MET HE% A 48 GLU HGy 1.0 1.8 5.20 1047 768 A 49 ILE H A 48 GLU HGx 1.0 1.8 5.37 1048 769 A 54 CYS HA A 48 GLU HGx 1.0 1.8 5.32 1049 770 A 55 ALA HB% A 48 GLU HGx 1.0 1.8 4.91 1050 771 A 55 ALA H A 48 GLU HGx 1.0 1.8 5.07 1051 772 A 58 MET HE% A 48 GLU HGx 1.0 1.8 5.20 1052 773 A 48 GLU H A 48 GLU HBx 1.0 1.8 3.22 1053 773 A 48 GLU H A 48 GLU HBy 1.0 1.8 3.22 1054 774 A 48 GLU H A 48 GLU HGy 1.0 1.8 4.39 1055 774 A 48 GLU H A 48 GLU HGx 1.0 1.8 4.39 1056 775 A 48 GLU H A 49 ILE H 1.0 1.8 3.88 1057 776 A 48 GLU H A 50 LEU H 1.0 1.8 5.28 1058 777 A 48 GLU H A 55 ALA HB% 1.0 1.8 4.74 1059 778 A 48 GLU H A 58 MET HE% 1.0 1.8 3.89 1060 779 A 49 ILE HD1% A 49 ILE HA 1.0 1.8 4.43 1061 780 A 49 ILE HA A 49 ILE HG1y 1.0 1.8 3.96 1062 781 A 49 ILE HG1x A 49 ILE HA 1.0 1.8 3.96 1063 782 A 49 ILE HG2% A 49 ILE HA 1.0 1.8 3.31 1064 783 A 51 THR H A 49 ILE HA 1.0 1.8 5.06 1065 784 A 49 ILE HB A 49 ILE HD1% 1.0 1.8 3.37 1066 785 A 49 ILE HB A 50 LEU HBy 1.0 1.8 5.32 1067 785 A 49 ILE HB A 50 LEU HBx 1.0 1.8 5.32 1068 786 A 49 ILE HB A 50 LEU H 1.0 1.8 3.64 1069 787 A 49 ILE HD1% A 50 LEU H 1.0 1.8 5.37 1070 788 A 50 LEU H A 49 ILE HG1y 1.0 1.8 5.49 1071 789 A 49 ILE HG1x A 50 LEU H 1.0 1.8 5.49 1072 790 A 49 ILE HG2% A 49 ILE HG1y 1.0 1.8 3.55 1073 791 A 49 ILE HG1x A 49 ILE HG2% 1.0 1.8 3.55 1074 792 A 49 ILE HG2% A 50 LEU HA 1.0 1.8 5.03 1075 793 A 50 LEU H A 49 ILE HG2% 1.0 1.8 4.44 1076 794 A 51 THR H A 49 ILE HG2% 1.0 1.8 5.81 1077 795 A 52 GLY H A 49 ILE HG2% 1.0 1.8 6.05 1078 796 A 49 ILE H A 49 ILE HB 1.0 1.8 3.26 1079 797 A 49 ILE H A 49 ILE HD1% 1.0 1.8 4.28 1080 798 A 49 ILE H A 49 ILE HG1y 1.0 1.8 3.87 1081 799 A 49 ILE H A 49 ILE HG1x 1.0 1.8 3.87 1082 800 A 49 ILE H A 49 ILE HG2% 1.0 1.8 4.29 1083 801 A 49 ILE H A 50 LEU HBy 1.0 1.8 5.51 1084 801 A 49 ILE H A 50 LEU HBx 1.0 1.8 5.51 1085 802 A 49 ILE H A 50 LEU H 1.0 1.8 3.56 1086 803 A 49 ILE H A 58 MET HE% 1.0 1.8 5.44 1087 804 A 50 LEU HD1% A 50 LEU HA 1.0 1.8 4.31 1088 805 A 50 LEU HD2% A 50 LEU HA 1.0 1.8 4.22 1089 806 A 50 LEU HD1% A 50 LEU HBy 1.0 1.8 3.42 1090 806 A 50 LEU HD1% A 50 LEU HBx 1.0 1.8 3.42 1091 807 A 52 GLY H A 50 LEU HBy 1.0 1.8 6.05 1092 807 A 52 GLY H A 50 LEU HBx 1.0 1.8 6.05 1093 808 A 50 LEU HD2% A 50 LEU HBy 1.0 1.8 3.50 1094 809 A 51 THR HG2% A 50 LEU HBy 1.0 1.8 4.84 1095 810 A 51 THR H A 50 LEU HBy 1.0 1.8 4.29 1096 811 A 50 LEU HD2% A 50 LEU HBx 1.0 1.8 3.50 1097 812 A 51 THR HG2% A 50 LEU HBx 1.0 1.8 4.84 1098 813 A 51 THR H A 50 LEU HBx 1.0 1.8 4.29 1099 814 A 50 LEU HD1% A 51 THR H 1.0 1.8 5.47 1100 815 A 51 THR H A 50 LEU HG 1.0 1.8 5.57 1101 816 A 50 LEU H A 50 LEU HBy 1.0 1.8 3.85 1102 817 A 50 LEU H A 50 LEU HBx 1.0 1.8 3.85 1103 818 A 50 LEU HD1% A 50 LEU H 1.0 1.8 4.26 1104 819 A 50 LEU HD2% A 50 LEU H 1.0 1.8 4.80 1105 820 A 50 LEU H A 50 LEU HG 1.0 1.8 4.74 1106 821 A 51 THR HG2% A 50 LEU H 1.0 1.8 4.76 1107 822 A 50 LEU H A 51 THR H 1.0 1.8 3.70 1108 823 A 50 LEU H A 52 GLY H 1.0 1.8 4.77 1109 824 A 51 THR HG2% A 51 THR HA 1.0 1.8 3.34 1110 825 A 51 THR HA A 53 GLY H 1.0 1.8 5.30 1111 826 A 51 THR HB A 53 GLY H 1.0 1.8 4.87 1112 827 A 92 VAL HG1% A 51 THR HB 1.0 1.8 5.07 1113 828 A 51 THR HG2% A 52 GLY H 1.0 1.8 4.51 1114 829 A 51 THR HG2% A 53 GLY H 1.0 1.8 4.77 1115 830 A 51 THR HG2% A 92 VAL HB 1.0 1.8 3.74 1116 831 A 92 VAL H A 51 THR HG2% 1.0 1.8 5.22 1117 832 A 51 THR HG2% A 51 THR H 1.0 1.8 3.63 1118 833 A 52 GLY H A 53 GLY H 1.0 1.8 3.74 1119 834 A 58 MET HE% A 52 GLY H 1.0 1.8 5.16 1120 835 A 54 CYS H A 53 GLY HAy 1.0 1.8 3.79 1121 836 A 58 MET HE% A 53 GLY HAy 1.0 1.8 5.62 1122 837 A 92 VAL HG1% A 53 GLY HAy 1.0 1.8 6.05 1123 837 A 92 VAL HG1% A 53 GLY HAx 1.0 1.8 6.05 1124 838 A 54 CYS H A 53 GLY HAx 1.0 1.8 3.79 1125 839 A 58 MET HE% A 53 GLY HAx 1.0 1.8 5.62 1126 840 A 53 GLY H A 54 CYS H 1.0 1.8 5.07 1127 841 A 58 MET HE% A 53 GLY H 1.0 1.8 4.79 1128 842 A 54 CYS HA A 55 ALA H 1.0 1.8 3.19 1129 843 A 54 CYS HA A 56 GLY H 1.0 1.8 5.28 1130 844 A 58 MET HE% A 54 CYS HA 1.0 1.8 5.00 1131 845 A 55 ALA H A 54 CYS HBx 1.0 1.8 4.49 1132 845 A 55 ALA H A 54 CYS HBy 1.0 1.8 4.49 1133 846 A 57 THR HG2% A 54 CYS HBx 1.0 1.8 4.75 1134 846 A 54 CYS HBy A 57 THR HG2% 1.0 1.8 4.75 1135 847 A 57 THR H A 54 CYS HBx 1.0 1.8 4.20 1136 847 A 54 CYS HBy A 57 THR H 1.0 1.8 4.20 1137 848 A 58 MET H A 54 CYS HBx 1.0 1.8 5.33 1138 848 A 54 CYS HBy A 58 MET H 1.0 1.8 5.33 1139 849 A 54 CYS H A 54 CYS HBx 1.0 1.8 3.42 1140 849 A 54 CYS H A 54 CYS HBy 1.0 1.8 3.42 1141 850 A 55 ALA H A 54 CYS H 1.0 1.8 5.08 1142 851 A 54 CYS H A 57 THR H 1.0 1.8 5.78 1143 852 A 54 CYS H A 58 MET HBy 1.0 1.8 5.54 1144 852 A 54 CYS H A 58 MET HBx 1.0 1.8 5.54 1145 853 A 58 MET HE% A 54 CYS H 1.0 1.8 5.00 1146 854 A 54 CYS H A 58 MET H 1.0 1.8 5.73 1147 855 A 54 CYS H A 94 ASP HBx 1.0 1.8 5.53 1148 855 A 54 CYS H A 94 ASP HBy 1.0 1.8 5.53 1149 856 A 55 ALA HA A 58 MET HE% 1.0 1.8 4.22 1150 857 A 55 ALA HA A 58 MET HGy 1.0 1.8 4.76 1151 858 A 55 ALA HA A 58 MET HGx 1.0 1.8 4.76 1152 859 A 55 ALA HA A 58 MET H 1.0 1.8 4.97 1153 860 A 55 ALA HB% A 56 GLY HAx 1.0 1.8 4.74 1154 860 A 55 ALA HB% A 56 GLY HAy 1.0 1.8 4.74 1155 861 A 55 ALA HB% A 56 GLY H 1.0 1.8 4.08 1156 862 A 55 ALA HB% A 57 THR H 1.0 1.8 5.30 1157 863 A 55 ALA HB% A 58 MET HGx 1.0 1.8 5.56 1158 863 A 58 MET HGy A 55 ALA HB% 1.0 1.8 5.56 1159 864 A 55 ALA HB% A 55 ALA H 1.0 1.8 3.27 1160 865 A 55 ALA H A 56 GLY H 1.0 1.8 4.48 1161 866 A 58 MET HE% A 55 ALA H 1.0 1.8 4.46 1162 867 A 58 MET H A 56 GLY HAx 1.0 1.8 5.36 1163 867 A 58 MET H A 56 GLY HAy 1.0 1.8 5.36 1164 868 A 56 GLY H A 57 THR H 1.0 1.8 4.20 1165 869 A 57 THR HG2% A 57 THR HA 1.0 1.8 3.09 1166 870 A 58 MET H A 57 THR HB 1.0 1.8 4.99 1167 871 A 57 THR HG2% A 58 MET H 1.0 1.8 4.84 1168 872 A 57 THR HG2% A 57 THR H 1.0 1.8 3.66 1169 873 A 57 THR H A 58 MET HBy 1.0 1.8 6.05 1170 874 A 57 THR H A 58 MET HBx 1.0 1.8 6.05 1171 875 A 57 THR H A 58 MET H 1.0 1.8 3.27 1172 876 A 58 MET HA A 59 LYS H 1.0 1.8 3.32 1173 877 A 92 VAL HG1% A 58 MET HA 1.0 1.8 4.55 1174 878 A 58 MET HA A 93 VAL H 1.0 1.8 5.49 1175 879 A 58 MET HA A 94 ASP HBx 1.0 1.8 4.31 1176 879 A 94 ASP HBy A 58 MET HA 1.0 1.8 4.31 1177 880 A 59 LYS HA A 58 MET HBy 1.0 1.8 5.40 1178 880 A 58 MET HBx A 59 LYS HA 1.0 1.8 5.40 1179 881 A 92 VAL HG1% A 58 MET HBy 1.0 1.8 3.93 1180 881 A 92 VAL HG1% A 58 MET HBx 1.0 1.8 3.93 1181 882 A 93 VAL H A 58 MET HBy 1.0 1.8 5.56 1182 882 A 58 MET HBx A 93 VAL H 1.0 1.8 5.56 1183 883 A 58 MET HBy A 94 ASP HBx 1.0 1.8 5.00 1184 883 A 58 MET HBx A 94 ASP HBx 1.0 1.8 5.00 1185 883 A 94 ASP HBy A 58 MET HBy 1.0 1.8 5.00 1186 883 A 58 MET HBx A 94 ASP HBy 1.0 1.8 5.00 1187 884 A 59 LYS H A 58 MET HBy 1.0 1.8 4.76 1188 885 A 58 MET HBx A 59 LYS H 1.0 1.8 4.76 1189 886 A 92 VAL HG1% A 58 MET HE% 1.0 1.8 3.25 1190 887 A 92 VAL HG2% A 58 MET HE% 1.0 1.8 4.03 1191 888 A 58 MET HE% A 58 MET HGx 1.0 1.8 3.64 1192 888 A 58 MET HGy A 58 MET HE% 1.0 1.8 3.64 1193 889 A 60 VAL H A 58 MET HGx 1.0 1.8 6.05 1194 889 A 60 VAL H A 58 MET HGy 1.0 1.8 6.05 1195 890 A 58 MET HGy A 59 LYS H 1.0 1.8 5.73 1196 891 A 92 VAL HG1% A 58 MET HGy 1.0 1.8 4.97 1197 892 A 59 LYS H A 58 MET HGx 1.0 1.8 5.73 1198 893 A 92 VAL HG1% A 58 MET HGx 1.0 1.8 4.97 1199 894 A 58 MET HE% A 58 MET H 1.0 1.8 4.95 1200 895 A 58 MET H A 59 LYS H 1.0 1.8 5.25 1201 896 A 59 LYS HA A 59 LYS HGy 1.0 1.8 4.31 1202 897 A 59 LYS HA A 59 LYS HGx 1.0 1.8 4.31 1203 898 A 59 LYS HA A 60 VAL HB 1.0 1.8 5.90 1204 899 A 60 VAL HG2% A 59 LYS HA 1.0 1.8 4.37 1205 900 A 60 VAL H A 59 LYS HA 1.0 1.8 3.19 1206 901 A 59 LYS HA A 71 THR HG2% 1.0 1.8 5.21 1207 902 A 59 LYS HA A 93 VAL HG2% 1.0 1.8 5.86 1208 903 A 59 LYS HBx A 59 LYS HEx 1.0 1.8 4.43 1209 903 A 59 LYS HBy A 59 LYS HEx 1.0 1.8 4.43 1210 903 A 59 LYS HEy A 59 LYS HBx 1.0 1.8 4.43 1211 903 A 59 LYS HBy A 59 LYS HEy 1.0 1.8 4.43 1212 904 A 60 VAL H A 59 LYS HBx 1.0 1.8 4.31 1213 904 A 60 VAL H A 59 LYS HBy 1.0 1.8 4.31 1214 905 A 59 LYS HBx A 61 GLN HGy 1.0 1.8 5.06 1215 905 A 59 LYS HBy A 61 GLN HGy 1.0 1.8 5.06 1216 905 A 61 GLN HGx A 59 LYS HBx 1.0 1.8 5.06 1217 905 A 59 LYS HBy A 61 GLN HGx 1.0 1.8 5.06 1218 906 A 71 THR HG2% A 59 LYS HBx 1.0 1.8 4.94 1219 906 A 71 THR HG2% A 59 LYS HBy 1.0 1.8 4.94 1220 907 A 93 VAL HA A 59 LYS HBx 1.0 1.8 5.30 1221 907 A 93 VAL HA A 59 LYS HBy 1.0 1.8 5.30 1222 908 A 93 VAL HB A 59 LYS HBx 1.0 1.8 3.51 1223 908 A 59 LYS HBy A 93 VAL HB 1.0 1.8 3.51 1224 909 A 93 VAL HG2% A 59 LYS HBx 1.0 1.8 3.90 1225 909 A 93 VAL HG2% A 59 LYS HBy 1.0 1.8 3.90 1226 910 A 93 VAL H A 59 LYS HBx 1.0 1.8 4.65 1227 910 A 93 VAL H A 59 LYS HBy 1.0 1.8 4.65 1228 911 A 93 VAL HB A 59 LYS HEx 1.0 1.8 4.79 1229 911 A 59 LYS HEy A 93 VAL HB 1.0 1.8 4.79 1230 912 A 93 VAL HG1% A 59 LYS HEx 1.0 1.8 4.20 1231 912 A 93 VAL HG1% A 59 LYS HEy 1.0 1.8 4.20 1232 913 A 93 VAL HG2% A 59 LYS HEx 1.0 1.8 4.52 1233 913 A 93 VAL HG2% A 59 LYS HEy 1.0 1.8 4.52 1234 914 A 59 LYS H A 59 LYS HBx 1.0 1.8 3.69 1235 914 A 59 LYS H A 59 LYS HBy 1.0 1.8 3.69 1236 915 A 59 LYS H A 59 LYS HGy 1.0 1.8 4.94 1237 915 A 59 LYS H A 59 LYS HGx 1.0 1.8 4.94 1238 916 A 92 VAL HA A 59 LYS H 1.0 1.8 5.44 1239 917 A 92 VAL HG1% A 59 LYS H 1.0 1.8 4.53 1240 918 A 59 LYS H A 93 VAL HB 1.0 1.8 4.58 1241 919 A 59 LYS H A 93 VAL H 1.0 1.8 4.10 1242 920 A 59 LYS H A 94 ASP HA 1.0 1.8 5.21 1243 921 A 59 LYS H A 94 ASP HBx 1.0 1.8 5.59 1244 921 A 94 ASP HBy A 59 LYS H 1.0 1.8 5.59 1245 922 A 60 VAL HA A 60 VAL HG1% 1.0 1.8 3.64 1246 923 A 60 VAL HG2% A 60 VAL HA 1.0 1.8 3.74 1247 924 A 60 VAL HA A 61 GLN H 1.0 1.8 3.39 1248 925 A 92 VAL HA A 60 VAL HA 1.0 1.8 4.10 1249 926 A 92 VAL HG2% A 60 VAL HA 1.0 1.8 4.73 1250 927 A 93 VAL H A 60 VAL HA 1.0 1.8 5.02 1251 928 A 60 VAL HB A 61 GLN H 1.0 1.8 5.75 1252 929 A 72 MET H A 60 VAL HB 1.0 1.8 5.50 1253 930 A 60 VAL HG1% A 61 GLN H 1.0 1.8 3.93 1254 931 A 72 MET HE% A 60 VAL HG1% 1.0 1.8 2.86 1255 932 A 72 MET H A 60 VAL HG1% 1.0 1.8 4.82 1256 933 A 60 VAL HG1% A 90 LEU HBy 1.0 1.8 3.56 1257 933 A 90 LEU HBx A 60 VAL HG1% 1.0 1.8 3.56 1258 934 A 60 VAL HG1% A 91 HIS H 1.0 1.8 4.46 1259 935 A 92 VAL HA A 60 VAL HG1% 1.0 1.8 5.89 1260 936 A 60 VAL HG2% A 61 GLN HGy 1.0 1.8 6.05 1261 936 A 60 VAL HG2% A 61 GLN HGx 1.0 1.8 6.05 1262 937 A 60 VAL HG2% A 61 GLN H 1.0 1.8 4.94 1263 938 A 92 VAL HA A 60 VAL HG2% 1.0 1.8 4.60 1264 939 A 60 VAL HG2% A 93 VAL H 1.0 1.8 5.48 1265 940 A 60 VAL H A 60 VAL HB 1.0 1.8 3.71 1266 941 A 60 VAL HG2% A 60 VAL H 1.0 1.8 3.63 1267 942 A 60 VAL H A 61 GLN HGy 1.0 1.8 5.48 1268 942 A 60 VAL H A 61 GLN HGx 1.0 1.8 5.48 1269 943 A 60 VAL H A 61 GLN H 1.0 1.8 5.02 1270 944 A 60 VAL H A 71 THR HG2% 1.0 1.8 4.50 1271 945 A 60 VAL H A 72 MET HBy 1.0 1.8 5.83 1272 945 A 72 MET HBx A 60 VAL H 1.0 1.8 5.83 1273 946 A 72 MET H A 60 VAL H 1.0 1.8 5.14 1274 947 A 61 GLN HA A 62 VAL H 1.0 1.8 3.49 1275 948 A 61 GLN HA A 71 THR HA 1.0 1.8 3.60 1276 949 A 91 HIS HD2 A 61 GLN HBy 1.0 1.8 4.89 1277 949 A 61 GLN HBx A 91 HIS HD2 1.0 1.8 4.89 1278 950 A 63 PHE HE% A 61 GLN HBy 1.0 1.8 4.21 1279 951 A 91 HIS HBy A 61 GLN HBy 1.0 1.8 5.25 1280 951 A 61 GLN HBy A 91 HIS HBx 1.0 1.8 5.25 1281 952 A 61 GLN HBx A 63 PHE HE% 1.0 1.8 4.21 1282 953 A 61 GLN HBx A 91 HIS HBy 1.0 1.8 5.25 1283 953 A 61 GLN HBx A 91 HIS HBx 1.0 1.8 5.25 1284 954 A 71 THR HG2% A 61 GLN HE21 1.0 1.8 4.41 1285 954 A 71 THR HG2% A 61 GLN HE22 1.0 1.8 4.41 1286 955 A 93 VAL HG2% A 61 GLN HE21 1.0 1.8 5.36 1287 956 A 93 VAL HG2% A 61 GLN HE22 1.0 1.8 5.36 1288 957 A 61 GLN HGx A 61 GLN HE21 1.0 1.8 3.93 1289 957 A 61 GLN HE21 A 61 GLN HGy 1.0 1.8 3.93 1290 957 A 61 GLN HGx A 61 GLN HE22 1.0 1.8 3.93 1291 957 A 61 GLN HE22 A 61 GLN HGy 1.0 1.8 3.93 1292 958 A 62 VAL H A 61 GLN HGy 1.0 1.8 5.44 1293 958 A 61 GLN HGx A 62 VAL H 1.0 1.8 5.44 1294 959 A 71 THR HA A 61 GLN HGy 1.0 1.8 4.84 1295 959 A 61 GLN HGx A 71 THR HA 1.0 1.8 4.84 1296 960 A 71 THR HG2% A 61 GLN HGy 1.0 1.8 4.58 1297 961 A 93 VAL HG2% A 61 GLN HGy 1.0 1.8 4.87 1298 962 A 71 THR HG2% A 61 GLN HGx 1.0 1.8 4.58 1299 963 A 93 VAL HG2% A 61 GLN HGx 1.0 1.8 4.87 1300 964 A 61 GLN H A 61 GLN HGy 1.0 1.8 4.64 1301 965 A 61 GLN HGx A 61 GLN H 1.0 1.8 4.64 1302 966 A 61 GLN H A 62 VAL H 1.0 1.8 5.51 1303 967 A 71 THR HG2% A 61 GLN H 1.0 1.8 5.12 1304 968 A 72 MET HE% A 61 GLN H 1.0 1.8 5.72 1305 969 A 61 GLN H A 90 LEU HBy 1.0 1.8 5.69 1306 969 A 90 LEU HBx A 61 GLN H 1.0 1.8 5.69 1307 970 A 61 GLN H A 90 LEU HD2% 1.0 1.8 5.27 1308 971 A 61 GLN H A 91 HIS HBy 1.0 1.8 5.62 1309 972 A 61 GLN H A 91 HIS HBx 1.0 1.8 5.62 1310 973 A 61 GLN H A 91 HIS H 1.0 1.8 4.38 1311 974 A 92 VAL HA A 61 GLN H 1.0 1.8 5.22 1312 975 A 93 VAL HG2% A 61 GLN H 1.0 1.8 5.81 1313 976 A 93 VAL H A 61 GLN H 1.0 1.8 5.73 1314 977 A 62 VAL HA A 62 VAL HG1% 1.0 1.8 3.58 1315 978 A 62 VAL HA A 62 VAL HG2% 1.0 1.8 3.58 1316 979 A 62 VAL HA A 63 PHE HD% 1.0 1.8 5.12 1317 980 A 62 VAL HA A 63 PHE H 1.0 1.8 3.40 1318 981 A 62 VAL HA A 69 VAL HG2% 1.0 1.8 5.29 1319 982 A 90 LEU HA A 62 VAL HA 1.0 1.8 3.95 1320 983 A 90 LEU HD2% A 62 VAL HA 1.0 1.8 3.90 1321 984 A 91 HIS H A 62 VAL HA 1.0 1.8 5.30 1322 985 A 62 VAL HB A 63 PHE HA 1.0 1.8 5.61 1323 986 A 63 PHE H A 62 VAL HB 1.0 1.8 5.51 1324 987 A 62 VAL HB A 69 VAL H 1.0 1.8 4.53 1325 988 A 62 VAL HB A 70 SER HBy 1.0 1.8 5.16 1326 989 A 62 VAL HB A 70 SER HBx 1.0 1.8 5.16 1327 990 A 62 VAL HB A 70 SER H 1.0 1.8 3.42 1328 991 A 62 VAL HB A 82 TYR HBy 1.0 1.8 5.87 1329 991 A 62 VAL HB A 82 TYR HBx 1.0 1.8 5.87 1330 992 A 90 LEU HD2% A 62 VAL HB 1.0 1.8 5.56 1331 993 A 62 VAL HG1% A 63 PHE HD% 1.0 1.8 6.05 1332 994 A 62 VAL HG1% A 63 PHE H 1.0 1.8 3.79 1333 995 A 62 VAL HG1% A 64 LYS H 1.0 1.8 5.21 1334 996 A 83 ALA HA A 62 VAL HG1% 1.0 1.8 4.29 1335 997 A 62 VAL HG1% A 83 ALA H 1.0 1.8 5.76 1336 998 A 62 VAL HG2% A 63 PHE H 1.0 1.8 4.79 1337 999 A 62 VAL HG2% A 70 SER HBy 1.0 1.8 4.82 1338 1000 A 62 VAL HG2% A 70 SER HBx 1.0 1.8 4.82 1339 1001 A 62 VAL HG2% A 70 SER H 1.0 1.8 4.92 1340 1002 A 72 MET HE% A 62 VAL HG2% 1.0 1.8 3.20 1341 1003 A 62 VAL HG2% A 72 MET HGx 1.0 1.8 4.54 1342 1003 A 62 VAL HG2% A 72 MET HGy 1.0 1.8 4.54 1343 1004 A 72 MET H A 62 VAL HG2% 1.0 1.8 4.61 1344 1005 A 62 VAL HG2% A 82 TYR HA 1.0 1.8 4.95 1345 1006 A 62 VAL HG2% A 82 TYR HBy 1.0 1.8 3.65 1346 1006 A 62 VAL HG2% A 82 TYR HBx 1.0 1.8 3.65 1347 1007 A 82 TYR HD% A 62 VAL HG2% 1.0 1.8 4.65 1348 1008 A 83 ALA HA A 62 VAL HG2% 1.0 1.8 4.69 1349 1009 A 83 ALA HB% A 62 VAL HG2% 1.0 1.8 3.90 1350 1010 A 62 VAL HG2% A 83 ALA H 1.0 1.8 4.84 1351 1011 A 90 LEU HA A 62 VAL HG2% 1.0 1.8 5.03 1352 1012 A 62 VAL H A 62 VAL HB 1.0 1.8 3.70 1353 1013 A 62 VAL H A 62 VAL HG1% 1.0 1.8 4.22 1354 1014 A 62 VAL H A 62 VAL HG2% 1.0 1.8 3.72 1355 1015 A 62 VAL H A 63 PHE H 1.0 1.8 5.52 1356 1016 A 62 VAL H A 69 VAL H 1.0 1.8 5.62 1357 1017 A 62 VAL H A 70 SER H 1.0 1.8 4.47 1358 1018 A 62 VAL H A 71 THR HA 1.0 1.8 4.65 1359 1019 A 71 THR HG2% A 62 VAL H 1.0 1.8 5.05 1360 1020 A 72 MET HE% A 62 VAL H 1.0 1.8 5.17 1361 1021 A 63 PHE HD% A 63 PHE HA 1.0 1.8 4.25 1362 1022 A 63 PHE HA A 64 LYS H 1.0 1.8 3.41 1363 1023 A 63 PHE HA A 68 CYS HA 1.0 1.8 3.73 1364 1024 A 63 PHE HA A 69 VAL HG1% 1.0 1.8 5.91 1365 1025 A 69 VAL HG2% A 63 PHE HA 1.0 1.8 4.05 1366 1026 A 63 PHE HA A 69 VAL H 1.0 1.8 3.94 1367 1027 A 63 PHE HA A 70 SER H 1.0 1.8 5.36 1368 1028 A 63 PHE HBy A 89 ARG HBx 1.0 1.8 5.32 1369 1028 A 63 PHE HBx A 89 ARG HBx 1.0 1.8 5.32 1370 1028 A 89 ARG HBy A 63 PHE HBy 1.0 1.8 5.32 1371 1028 A 89 ARG HBy A 63 PHE HBx 1.0 1.8 5.32 1372 1029 A 89 ARG H A 63 PHE HBy 1.0 1.8 5.29 1373 1029 A 63 PHE HBx A 89 ARG H 1.0 1.8 5.29 1374 1030 A 64 LYS H A 63 PHE HBy 1.0 1.8 4.96 1375 1031 A 89 ARG HBy A 63 PHE HBy 1.0 1.8 4.64 1376 1031 A 63 PHE HBy A 89 ARG HBx 1.0 1.8 4.64 1377 1032 A 64 LYS H A 63 PHE HBx 1.0 1.8 4.96 1378 1033 A 89 ARG HBy A 63 PHE HBx 1.0 1.8 4.64 1379 1033 A 63 PHE HBx A 89 ARG HBx 1.0 1.8 4.64 1380 1034 A 63 PHE HD% A 63 PHE HZ 1.0 1.8 4.38 1381 1035 A 63 PHE HD% A 64 LYS H 1.0 1.8 4.86 1382 1036 A 63 PHE HD% A 66 ASP HA 1.0 1.8 5.62 1383 1037 A 63 PHE HD% A 67 THR HA 1.0 1.8 5.86 1384 1038 A 63 PHE HD% A 67 THR H 1.0 1.8 4.69 1385 1039 A 63 PHE HD% A 68 CYS HA 1.0 1.8 4.81 1386 1040 A 63 PHE HD% A 69 VAL HG2% 1.0 1.8 6.05 1387 1041 A 91 HIS HBy A 63 PHE HD% 1.0 1.8 4.33 1388 1042 A 63 PHE HD% A 91 HIS HBx 1.0 1.8 4.33 1389 1043 A 91 HIS H A 63 PHE HD% 1.0 1.8 4.97 1390 1044 A 63 PHE HE% A 68 CYS HBy 1.0 1.8 4.46 1391 1044 A 63 PHE HE% A 68 CYS HBx 1.0 1.8 4.46 1392 1045 A 63 PHE HE% A 68 CYS H 1.0 1.8 5.63 1393 1046 A 63 PHE HE% A 91 HIS HBy 1.0 1.8 4.77 1394 1047 A 63 PHE HE% A 91 HIS HBx 1.0 1.8 4.77 1395 1048 A 63 PHE HD% A 63 PHE H 1.0 1.8 4.17 1396 1049 A 63 PHE H A 64 LYS H 1.0 1.8 5.97 1397 1050 A 63 PHE H A 69 VAL HG2% 1.0 1.8 5.59 1398 1051 A 63 PHE H A 88 LEU HBy 1.0 1.8 5.62 1399 1051 A 88 LEU HBx A 63 PHE H 1.0 1.8 5.62 1400 1052 A 89 ARG HBy A 63 PHE H 1.0 1.8 6.05 1401 1053 A 63 PHE H A 89 ARG HBx 1.0 1.8 6.05 1402 1054 A 63 PHE H A 89 ARG HGy 1.0 1.8 5.87 1403 1054 A 89 ARG HGx A 63 PHE H 1.0 1.8 5.87 1404 1055 A 63 PHE H A 89 ARG H 1.0 1.8 4.33 1405 1056 A 90 LEU HA A 63 PHE H 1.0 1.8 4.98 1406 1057 A 90 LEU HD2% A 63 PHE H 1.0 1.8 4.87 1407 1058 A 90 LEU HG A 63 PHE H 1.0 1.8 6.05 1408 1059 A 91 HIS H A 63 PHE H 1.0 1.8 5.75 1409 1060 A 63 PHE HZ A 68 CYS HBy 1.0 1.8 4.53 1410 1060 A 63 PHE HZ A 68 CYS HBx 1.0 1.8 4.53 1411 1061 A 64 LYS HA A 64 LYS HDx 1.0 1.8 4.64 1412 1061 A 64 LYS HA A 64 LYS HDy 1.0 1.8 4.64 1413 1062 A 64 LYS HA A 64 LYS HGx 1.0 1.8 3.65 1414 1062 A 64 LYS HA A 64 LYS HGy 1.0 1.8 3.65 1415 1063 A 69 VAL HG2% A 64 LYS HA 1.0 1.8 5.70 1416 1064 A 64 LYS HA A 88 LEU HD2% 1.0 1.8 3.99 1417 1065 A 89 ARG H A 64 LYS HA 1.0 1.8 4.96 1418 1066 A 64 LYS HBy A 64 LYS HDx 1.0 1.8 3.93 1419 1066 A 64 LYS HBx A 64 LYS HDx 1.0 1.8 3.93 1420 1066 A 64 LYS HDy A 64 LYS HBy 1.0 1.8 3.93 1421 1066 A 64 LYS HDy A 64 LYS HBx 1.0 1.8 3.93 1422 1067 A 67 THR HB A 64 LYS HBy 1.0 1.8 5.04 1423 1067 A 64 LYS HBx A 67 THR HB 1.0 1.8 5.04 1424 1068 A 67 THR H A 64 LYS HBy 1.0 1.8 5.21 1425 1068 A 67 THR H A 64 LYS HBx 1.0 1.8 5.21 1426 1069 A 69 VAL HG2% A 64 LYS HBy 1.0 1.8 3.92 1427 1070 A 69 VAL HG2% A 64 LYS HBx 1.0 1.8 3.92 1428 1071 A 69 VAL HG2% A 64 LYS HDx 1.0 1.8 4.20 1429 1071 A 69 VAL HG2% A 64 LYS HDy 1.0 1.8 4.20 1430 1072 A 69 VAL HG1% A 64 LYS HEx 1.0 1.8 5.42 1431 1072 A 69 VAL HG1% A 64 LYS HEy 1.0 1.8 5.42 1432 1073 A 69 VAL HG2% A 64 LYS HEx 1.0 1.8 5.42 1433 1073 A 69 VAL HG2% A 64 LYS HEy 1.0 1.8 5.42 1434 1074 A 88 LEU HD2% A 64 LYS HEx 1.0 1.8 4.28 1435 1074 A 88 LEU HD2% A 64 LYS HEy 1.0 1.8 4.28 1436 1075 A 64 LYS HEx A 64 LYS HGx 1.0 1.8 3.18 1437 1075 A 64 LYS HEy A 64 LYS HGx 1.0 1.8 3.18 1438 1075 A 64 LYS HGy A 64 LYS HEx 1.0 1.8 3.18 1439 1075 A 64 LYS HGy A 64 LYS HEy 1.0 1.8 3.18 1440 1076 A 64 LYS H A 64 LYS HBy 1.0 1.8 4.07 1441 1077 A 64 LYS H A 64 LYS HBx 1.0 1.8 4.07 1442 1078 A 64 LYS H A 67 THR HB 1.0 1.8 5.46 1443 1079 A 64 LYS H A 67 THR H 1.0 1.8 5.15 1444 1080 A 64 LYS H A 68 CYS HA 1.0 1.8 4.79 1445 1081 A 69 VAL H A 64 LYS H 1.0 1.8 4.51 1446 1082 A 67 THR H A 65 GLY HAy 1.0 1.8 5.30 1447 1083 A 67 THR H A 65 GLY HAx 1.0 1.8 5.30 1448 1084 A 66 ASP HA A 67 THR HB 1.0 1.8 6.05 1449 1085 A 67 THR H A 66 ASP H 1.0 1.8 4.07 1450 1086 A 67 THR HA A 67 THR HG2% 1.0 1.8 3.38 1451 1087 A 67 THR HA A 68 CYS HBy 1.0 1.8 4.97 1452 1087 A 67 THR HA A 68 CYS HBx 1.0 1.8 4.97 1453 1088 A 67 THR HA A 68 CYS H 1.0 1.8 3.72 1454 1089 A 68 CYS H A 67 THR HB 1.0 1.8 4.82 1455 1090 A 68 CYS H A 67 THR HG2% 1.0 1.8 4.16 1456 1091 A 69 VAL H A 67 THR HG2% 1.0 1.8 5.24 1457 1092 A 67 THR H A 67 THR HB 1.0 1.8 3.27 1458 1093 A 67 THR H A 67 THR HG2% 1.0 1.8 4.43 1459 1094 A 67 THR H A 68 CYS H 1.0 1.8 5.26 1460 1095 A 69 VAL HG2% A 68 CYS HA 1.0 1.8 4.86 1461 1096 A 69 VAL H A 68 CYS HA 1.0 1.8 3.21 1462 1097 A 70 SER H A 68 CYS HA 1.0 1.8 4.40 1463 1098 A 69 VAL H A 68 CYS HBy 1.0 1.8 5.43 1464 1099 A 69 VAL H A 68 CYS HBx 1.0 1.8 5.43 1465 1100 A 69 VAL H A 68 CYS H 1.0 1.8 5.70 1466 1101 A 69 VAL HG1% A 69 VAL HA 1.0 1.8 3.31 1467 1102 A 69 VAL HG2% A 69 VAL HA 1.0 1.8 3.73 1468 1103 A 69 VAL HA A 70 SER HA 1.0 1.8 5.35 1469 1104 A 70 SER H A 69 VAL HG1% 1.0 1.8 4.87 1470 1105 A 69 VAL HG2% A 70 SER H 1.0 1.8 4.00 1471 1106 A 69 VAL H A 69 VAL HG1% 1.0 1.8 4.13 1472 1107 A 69 VAL HG2% A 69 VAL H 1.0 1.8 3.21 1473 1108 A 69 VAL H A 70 SER H 1.0 1.8 3.42 1474 1109 A 70 SER HA A 71 THR H 1.0 1.8 3.47 1475 1110 A 71 THR H A 70 SER HBx 1.0 1.8 3.55 1476 1110 A 71 THR H A 70 SER HBy 1.0 1.8 3.55 1477 1111 A 82 TYR HD% A 70 SER HBx 1.0 1.8 3.88 1478 1111 A 82 TYR HD% A 70 SER HBy 1.0 1.8 3.88 1479 1112 A 70 SER H A 71 THR H 1.0 1.8 5.44 1480 1113 A 71 THR HG2% A 71 THR HA 1.0 1.8 3.38 1481 1114 A 71 THR HA A 72 MET HGy 1.0 1.8 5.65 1482 1115 A 71 THR HA A 72 MET HGx 1.0 1.8 5.65 1483 1116 A 72 MET H A 71 THR HA 1.0 1.8 3.26 1484 1117 A 71 THR HA A 73 ASP H 1.0 1.8 5.79 1485 1118 A 72 MET H A 71 THR HB 1.0 1.8 4.61 1486 1119 A 72 MET HA A 71 THR HG2% 1.0 1.8 5.19 1487 1120 A 72 MET H A 71 THR HG2% 1.0 1.8 3.52 1488 1121 A 71 THR HG2% A 73 ASP HBx 1.0 1.8 4.75 1489 1121 A 71 THR HG2% A 73 ASP HBy 1.0 1.8 4.75 1490 1122 A 71 THR HG2% A 73 ASP H 1.0 1.8 4.96 1491 1123 A 71 THR H A 71 THR HB 1.0 1.8 4.02 1492 1124 A 71 THR HG2% A 71 THR H 1.0 1.8 4.43 1493 1125 A 72 MET HA A 72 MET HGy 1.0 1.8 4.27 1494 1126 A 72 MET HA A 72 MET HGx 1.0 1.8 4.27 1495 1127 A 72 MET HA A 73 ASP H 1.0 1.8 3.50 1496 1128 A 72 MET HA A 74 ASN H 1.0 1.8 4.88 1497 1129 A 72 MET HA A 82 TYR HE% 1.0 1.8 4.37 1498 1130 A 82 TYR HD% A 72 MET HBy 1.0 1.8 5.83 1499 1131 A 72 MET HBx A 82 TYR HD% 1.0 1.8 5.83 1500 1132 A 79 LEU HA A 72 MET HE% 1.0 1.8 4.58 1501 1133 A 79 LEU HD1% A 72 MET HE% 1.0 1.8 2.64 1502 1134 A 72 MET HE% A 82 TYR HBy 1.0 1.8 3.60 1503 1135 A 72 MET HE% A 82 TYR HBx 1.0 1.8 3.60 1504 1136 A 82 TYR HD% A 72 MET HE% 1.0 1.8 3.98 1505 1137 A 72 MET HE% A 82 TYR H 1.0 1.8 4.83 1506 1138 A 83 ALA HA A 72 MET HE% 1.0 1.8 5.79 1507 1139 A 83 ALA HB% A 72 MET HE% 1.0 1.8 3.49 1508 1140 A 72 MET HE% A 83 ALA H 1.0 1.8 4.65 1509 1141 A 90 LEU HA A 72 MET HE% 1.0 1.8 5.27 1510 1142 A 72 MET HE% A 90 LEU HD2% 1.0 1.8 3.15 1511 1143 A 72 MET HGx A 82 TYR HBy 1.0 1.8 4.19 1512 1143 A 72 MET HGy A 82 TYR HBy 1.0 1.8 4.19 1513 1143 A 82 TYR HBx A 72 MET HGx 1.0 1.8 4.19 1514 1143 A 82 TYR HBx A 72 MET HGy 1.0 1.8 4.19 1515 1144 A 72 MET HE% A 72 MET HGy 1.0 1.8 3.47 1516 1145 A 82 TYR HD% A 72 MET HGy 1.0 1.8 5.28 1517 1146 A 72 MET HE% A 72 MET HGx 1.0 1.8 3.47 1518 1147 A 82 TYR HD% A 72 MET HGx 1.0 1.8 5.28 1519 1148 A 72 MET H A 72 MET HE% 1.0 1.8 4.76 1520 1149 A 72 MET H A 72 MET HGy 1.0 1.8 3.84 1521 1150 A 72 MET H A 72 MET HGx 1.0 1.8 3.84 1522 1151 A 72 MET H A 73 ASP H 1.0 1.8 5.09 1523 1152 A 73 ASP H A 73 ASP HBx 1.0 1.8 3.77 1524 1152 A 73 ASP H A 73 ASP HBy 1.0 1.8 3.77 1525 1153 A 74 ASN H A 73 ASP H 1.0 1.8 4.15 1526 1154 A 82 TYR HE% A 73 ASP H 1.0 1.8 4.75 1527 1155 A 75 ASN H A 74 ASN HA 1.0 1.8 3.56 1528 1156 A 77 ALA H A 74 ASN HA 1.0 1.8 5.83 1529 1157 A 74 ASN HBx A 74 ASN HD22 1.0 1.8 3.54 1530 1157 A 74 ASN HBy A 74 ASN HD22 1.0 1.8 3.54 1531 1157 A 74 ASN HD21 A 74 ASN HBx 1.0 1.8 3.54 1532 1157 A 74 ASN HBy A 74 ASN HD21 1.0 1.8 3.54 1533 1158 A 77 ALA HB% A 74 ASN HBx 1.0 1.8 3.33 1534 1158 A 77 ALA HB% A 74 ASN HBy 1.0 1.8 3.33 1535 1159 A 77 ALA H A 74 ASN HBx 1.0 1.8 4.39 1536 1159 A 77 ALA H A 74 ASN HBy 1.0 1.8 4.39 1537 1160 A 82 TYR HE% A 74 ASN HBx 1.0 1.8 4.40 1538 1160 A 82 TYR HE% A 74 ASN HBy 1.0 1.8 4.40 1539 1161 A 77 ALA HB% A 74 ASN HD22 1.0 1.8 4.37 1540 1161 A 77 ALA HB% A 74 ASN HD21 1.0 1.8 4.37 1541 1162 A 74 ASN H A 74 ASN HBx 1.0 1.8 3.58 1542 1162 A 74 ASN H A 74 ASN HBy 1.0 1.8 3.58 1543 1163 A 74 ASN H A 82 TYR HE% 1.0 1.8 4.59 1544 1164 A 77 ALA H A 75 ASN HA 1.0 1.8 4.52 1545 1165 A 77 ALA H A 75 ASN HBx 1.0 1.8 5.69 1546 1165 A 77 ALA H A 75 ASN HBy 1.0 1.8 5.69 1547 1166 A 75 ASN H A 75 ASN HBx 1.0 1.8 3.79 1548 1166 A 75 ASN HBy A 75 ASN H 1.0 1.8 3.79 1549 1167 A 75 ASN H A 76 ASP H 1.0 1.8 4.11 1550 1168 A 75 ASN H A 77 ALA HB% 1.0 1.8 6.05 1551 1169 A 77 ALA H A 76 ASP HBx 1.0 1.8 4.29 1552 1169 A 77 ALA H A 76 ASP HBy 1.0 1.8 4.29 1553 1170 A 76 ASP H A 76 ASP HBx 1.0 1.8 3.00 1554 1170 A 76 ASP H A 76 ASP HBy 1.0 1.8 3.00 1555 1171 A 77 ALA HB% A 76 ASP H 1.0 1.8 4.65 1556 1172 A 77 ALA H A 76 ASP H 1.0 1.8 3.12 1557 1173 A 77 ALA HA A 78 GLN HGy 1.0 1.8 4.86 1558 1173 A 78 GLN HGx A 77 ALA HA 1.0 1.8 4.86 1559 1174 A 78 GLN H A 77 ALA HA 1.0 1.8 3.17 1560 1175 A 77 ALA HA A 81 TYR HBy 1.0 1.8 5.38 1561 1175 A 77 ALA HA A 81 TYR HBx 1.0 1.8 5.38 1562 1176 A 78 GLN H A 77 ALA HB% 1.0 1.8 3.39 1563 1177 A 77 ALA HB% A 81 TYR HBy 1.0 1.8 3.69 1564 1177 A 77 ALA HB% A 81 TYR HBx 1.0 1.8 3.69 1565 1178 A 77 ALA HB% A 81 TYR HD% 1.0 1.8 4.19 1566 1179 A 77 ALA HB% A 81 TYR HE% 1.0 1.8 4.91 1567 1180 A 77 ALA HB% A 81 TYR H 1.0 1.8 5.21 1568 1181 A 82 TYR HD% A 77 ALA HB% 1.0 1.8 4.32 1569 1182 A 82 TYR HE% A 77 ALA HB% 1.0 1.8 3.42 1570 1183 A 77 ALA H A 77 ALA HB% 1.0 1.8 3.03 1571 1184 A 78 GLN H A 77 ALA H 1.0 1.8 5.22 1572 1185 A 78 GLN HA A 78 GLN HGy 1.0 1.8 4.02 1573 1186 A 78 GLN HGx A 78 GLN HA 1.0 1.8 4.02 1574 1187 A 79 LEU H A 78 GLN HA 1.0 1.8 3.34 1575 1188 A 80 GLY H A 78 GLN HA 1.0 1.8 5.02 1576 1189 A 79 LEU H A 78 GLN HBy 1.0 1.8 4.36 1577 1190 A 80 GLY H A 78 GLN HBy 1.0 1.8 5.42 1578 1191 A 81 TYR H A 78 GLN HBy 1.0 1.8 5.12 1579 1192 A 79 LEU H A 78 GLN HBx 1.0 1.8 4.36 1580 1193 A 80 GLY H A 78 GLN HBx 1.0 1.8 5.42 1581 1194 A 78 GLN HBx A 81 TYR H 1.0 1.8 5.12 1582 1195 A 78 GLN HE21 A 78 GLN HGx 1.0 1.8 3.89 1583 1195 A 78 GLN HE21 A 78 GLN HGy 1.0 1.8 3.89 1584 1195 A 78 GLN HE22 A 78 GLN HGx 1.0 1.8 3.89 1585 1195 A 78 GLN HE22 A 78 GLN HGy 1.0 1.8 3.89 1586 1196 A 79 LEU H A 78 GLN HGy 1.0 1.8 5.41 1587 1197 A 79 LEU H A 78 GLN HGx 1.0 1.8 5.41 1588 1198 A 78 GLN H A 78 GLN HGy 1.0 1.8 4.25 1589 1199 A 78 GLN HGx A 78 GLN H 1.0 1.8 4.25 1590 1200 A 79 LEU H A 78 GLN H 1.0 1.8 5.20 1591 1201 A 78 GLN H A 81 TYR HBy 1.0 1.8 4.29 1592 1201 A 78 GLN H A 81 TYR HBx 1.0 1.8 4.29 1593 1202 A 79 LEU HD1% A 79 LEU HA 1.0 1.8 3.41 1594 1203 A 79 LEU HD2% A 79 LEU HA 1.0 1.8 5.42 1595 1204 A 79 LEU HA A 81 TYR H 1.0 1.8 5.33 1596 1205 A 79 LEU HA A 82 TYR HBy 1.0 1.8 5.19 1597 1205 A 79 LEU HA A 82 TYR HBx 1.0 1.8 5.19 1598 1206 A 82 TYR HD% A 79 LEU HA 1.0 1.8 4.32 1599 1207 A 79 LEU HA A 82 TYR H 1.0 1.8 4.97 1600 1208 A 79 LEU HA A 83 ALA H 1.0 1.8 4.94 1601 1209 A 79 LEU HD1% A 79 LEU HBx 1.0 1.8 3.64 1602 1209 A 79 LEU HBy A 79 LEU HD1% 1.0 1.8 3.64 1603 1210 A 79 LEU HD2% A 79 LEU HBx 1.0 1.8 3.25 1604 1210 A 79 LEU HD2% A 79 LEU HBy 1.0 1.8 3.25 1605 1211 A 80 GLY H A 79 LEU HBx 1.0 1.8 3.77 1606 1211 A 79 LEU HBy A 80 GLY H 1.0 1.8 3.77 1607 1212 A 79 LEU HD1% A 80 GLY HAy 1.0 1.8 6.05 1608 1213 A 80 GLY HAx A 79 LEU HD1% 1.0 1.8 6.05 1609 1214 A 79 LEU HD1% A 80 GLY H 1.0 1.8 5.31 1610 1215 A 79 LEU HD1% A 82 TYR HD% 1.0 1.8 4.65 1611 1216 A 79 LEU HD1% A 82 TYR H 1.0 1.8 5.20 1612 1217 A 79 LEU HD1% A 83 ALA H 1.0 1.8 4.55 1613 1218 A 79 LEU HD2% A 80 GLY H 1.0 1.8 5.80 1614 1219 A 79 LEU HG A 80 GLY H 1.0 1.8 5.09 1615 1220 A 79 LEU HG A 83 ALA H 1.0 1.8 5.14 1616 1221 A 79 LEU HD1% A 79 LEU H 1.0 1.8 5.02 1617 1222 A 79 LEU HD2% A 79 LEU H 1.0 1.8 4.99 1618 1223 A 79 LEU HG A 79 LEU H 1.0 1.8 5.07 1619 1224 A 79 LEU H A 80 GLY H 1.0 1.8 3.96 1620 1225 A 79 LEU H A 81 TYR H 1.0 1.8 5.43 1621 1226 A 83 ALA H A 80 GLY HAy 1.0 1.8 5.24 1622 1227 A 84 ASN HBy A 80 GLY HAy 1.0 1.8 5.01 1623 1227 A 80 GLY HAy A 84 ASN HBx 1.0 1.8 5.01 1624 1228 A 80 GLY HAx A 83 ALA H 1.0 1.8 5.24 1625 1229 A 80 GLY HAx A 84 ASN HBy 1.0 1.8 5.01 1626 1229 A 80 GLY HAx A 84 ASN HBx 1.0 1.8 5.01 1627 1230 A 80 GLY H A 81 TYR H 1.0 1.8 4.19 1628 1231 A 81 TYR HD% A 81 TYR HA 1.0 1.8 3.87 1629 1232 A 82 TYR H A 81 TYR HBy 1.0 1.8 4.04 1630 1232 A 82 TYR H A 81 TYR HBx 1.0 1.8 4.04 1631 1233 A 82 TYR HD% A 81 TYR HD% 1.0 1.8 4.70 1632 1234 A 82 TYR HE% A 81 TYR HD% 1.0 1.8 4.08 1633 1235 A 82 TYR H A 81 TYR HD% 1.0 1.8 4.50 1634 1236 A 82 TYR HE% A 81 TYR HE% 1.0 1.8 4.30 1635 1237 A 81 TYR H A 81 TYR HBy 1.0 1.8 3.54 1636 1238 A 81 TYR HBx A 81 TYR H 1.0 1.8 3.54 1637 1239 A 81 TYR HD% A 81 TYR H 1.0 1.8 4.63 1638 1240 A 82 TYR HD% A 81 TYR H 1.0 1.8 5.29 1639 1241 A 82 TYR H A 81 TYR H 1.0 1.8 3.48 1640 1242 A 83 ALA H A 81 TYR H 1.0 1.8 4.58 1641 1243 A 82 TYR HD% A 82 TYR HA 1.0 1.8 3.58 1642 1244 A 83 ALA HA A 82 TYR HBy 1.0 1.8 5.87 1643 1244 A 83 ALA HA A 82 TYR HBx 1.0 1.8 5.87 1644 1245 A 83 ALA HB% A 82 TYR HBy 1.0 1.8 4.15 1645 1245 A 83 ALA HB% A 82 TYR HBx 1.0 1.8 4.15 1646 1246 A 83 ALA H A 82 TYR HBy 1.0 1.8 3.60 1647 1246 A 82 TYR HBx A 83 ALA H 1.0 1.8 3.60 1648 1247 A 82 TYR HD% A 83 ALA H 1.0 1.8 5.24 1649 1248 A 82 TYR H A 82 TYR HBy 1.0 1.8 3.53 1650 1248 A 82 TYR HBx A 82 TYR H 1.0 1.8 3.53 1651 1249 A 82 TYR HD% A 82 TYR H 1.0 1.8 3.97 1652 1250 A 83 ALA HB% A 82 TYR H 1.0 1.8 4.87 1653 1251 A 83 ALA H A 82 TYR H 1.0 1.8 3.13 1654 1252 A 83 ALA HA A 84 ASN HBx 1.0 1.8 5.79 1655 1252 A 83 ALA HA A 84 ASN HBy 1.0 1.8 5.79 1656 1253 A 83 ALA HA A 84 ASN H 1.0 1.8 3.30 1657 1254 A 83 ALA HA A 85 SER H 1.0 1.8 4.47 1658 1255 A 83 ALA HA A 88 LEU HD1% 1.0 1.8 3.85 1659 1256 A 83 ALA HA A 88 LEU HG 1.0 1.8 5.73 1660 1257 A 83 ALA HB% A 84 ASN H 1.0 1.8 3.97 1661 1258 A 83 ALA HB% A 85 SER H 1.0 1.8 4.83 1662 1259 A 83 ALA HB% A 83 ALA H 1.0 1.8 3.23 1663 1260 A 84 ASN H A 83 ALA H 1.0 1.8 5.35 1664 1261 A 84 ASN HBy A 84 ASN HD22 1.0 1.8 3.52 1665 1261 A 84 ASN HBx A 84 ASN HD22 1.0 1.8 3.52 1666 1261 A 84 ASN HD21 A 84 ASN HBx 1.0 1.8 3.52 1667 1261 A 84 ASN HBy A 84 ASN HD21 1.0 1.8 3.52 1668 1262 A 84 ASN H A 84 ASN HBx 1.0 1.8 3.76 1669 1262 A 84 ASN HBy A 84 ASN H 1.0 1.8 3.76 1670 1263 A 84 ASN H A 85 SER H 1.0 1.8 3.83 1671 1264 A 84 ASN H A 88 LEU HD1% 1.0 1.8 3.75 1672 1265 A 85 SER HA A 86 ASP H 1.0 1.8 3.36 1673 1266 A 86 ASP H A 85 SER HBx 1.0 1.8 3.70 1674 1266 A 86 ASP H A 85 SER HBy 1.0 1.8 3.70 1675 1267 A 88 LEU HD1% A 85 SER HBx 1.0 1.8 4.08 1676 1267 A 88 LEU HD1% A 85 SER HBy 1.0 1.8 4.08 1677 1268 A 88 LEU HG A 85 SER HBx 1.0 1.8 4.23 1678 1268 A 88 LEU HG A 85 SER HBy 1.0 1.8 4.23 1679 1269 A 88 LEU HD2% A 85 SER HBy 1.0 1.8 4.55 1680 1270 A 88 LEU HD2% A 85 SER HBx 1.0 1.8 4.55 1681 1271 A 85 SER H A 86 ASP H 1.0 1.8 5.70 1682 1272 A 85 SER H A 88 LEU HD1% 1.0 1.8 3.30 1683 1273 A 85 SER H A 88 LEU HG 1.0 1.8 4.66 1684 1274 A 86 ASP HA A 87 GLY HAy 1.0 1.8 5.27 1685 1275 A 86 ASP HA A 87 GLY HAx 1.0 1.8 5.27 1686 1276 A 86 ASP HA A 87 GLY H 1.0 1.8 3.20 1687 1277 A 86 ASP HA A 88 LEU H 1.0 1.8 4.42 1688 1278 A 86 ASP HBy A 87 GLY H 1.0 1.8 4.72 1689 1279 A 87 GLY H A 86 ASP HBx 1.0 1.8 4.72 1690 1280 A 87 GLY H A 86 ASP H 1.0 1.8 5.81 1691 1281 A 87 GLY H A 88 LEU HG 1.0 1.8 4.70 1692 1282 A 87 GLY H A 88 LEU H 1.0 1.8 3.69 1693 1283 A 88 LEU HD1% A 88 LEU HA 1.0 1.8 4.40 1694 1284 A 88 LEU HD2% A 88 LEU HA 1.0 1.8 3.16 1695 1285 A 89 ARG H A 88 LEU HA 1.0 1.8 3.33 1696 1286 A 88 LEU HD2% A 88 LEU HBy 1.0 1.8 3.76 1697 1286 A 88 LEU HBx A 88 LEU HD2% 1.0 1.8 3.76 1698 1287 A 88 LEU HD1% A 88 LEU HBy 1.0 1.8 3.83 1699 1288 A 89 ARG H A 88 LEU HBy 1.0 1.8 4.38 1700 1289 A 88 LEU HBx A 88 LEU HD1% 1.0 1.8 3.83 1701 1290 A 88 LEU HBx A 89 ARG H 1.0 1.8 4.38 1702 1291 A 89 ARG H A 88 LEU HD1% 1.0 1.8 5.74 1703 1292 A 89 ARG H A 88 LEU HD2% 1.0 1.8 4.13 1704 1293 A 88 LEU H A 88 LEU HBy 1.0 1.8 4.10 1705 1294 A 88 LEU HBx A 88 LEU H 1.0 1.8 4.10 1706 1295 A 88 LEU H A 88 LEU HD1% 1.0 1.8 4.27 1707 1296 A 88 LEU H A 88 LEU HD2% 1.0 1.8 4.40 1708 1297 A 88 LEU H A 88 LEU HG 1.0 1.8 3.58 1709 1298 A 88 LEU H A 89 ARG H 1.0 1.8 5.52 1710 1299 A 89 ARG HA A 89 ARG HDx 1.0 1.8 5.00 1711 1299 A 89 ARG HA A 89 ARG HDy 1.0 1.8 5.00 1712 1300 A 89 ARG HA A 89 ARG HGy 1.0 1.8 4.57 1713 1301 A 89 ARG HA A 89 ARG HGx 1.0 1.8 4.57 1714 1302 A 89 ARG HA A 90 LEU HG 1.0 1.8 5.78 1715 1303 A 89 ARG HA A 90 LEU H 1.0 1.8 3.32 1716 1304 A 89 ARG HE A 89 ARG HBx 1.0 1.8 5.74 1717 1304 A 89 ARG HBy A 89 ARG HE 1.0 1.8 5.74 1718 1305 A 90 LEU HA A 89 ARG HDx 1.0 1.8 5.87 1719 1305 A 89 ARG HDy A 90 LEU HA 1.0 1.8 5.87 1720 1306 A 89 ARG HGy A 91 HIS HBx 1.0 1.8 5.87 1721 1306 A 89 ARG HGx A 91 HIS HBx 1.0 1.8 5.87 1722 1306 A 91 HIS HBy A 89 ARG HGy 1.0 1.8 5.87 1723 1306 A 89 ARG HGx A 91 HIS HBy 1.0 1.8 5.87 1724 1307 A 90 LEU H A 89 ARG HGy 1.0 1.8 4.64 1725 1308 A 90 LEU H A 89 ARG HGx 1.0 1.8 4.64 1726 1309 A 90 LEU H A 89 ARG H 1.0 1.8 5.12 1727 1310 A 90 LEU HD1% A 90 LEU HA 1.0 1.8 4.79 1728 1311 A 90 LEU HA A 90 LEU HD2% 1.0 1.8 3.28 1729 1312 A 90 LEU HA A 91 HIS H 1.0 1.8 3.34 1730 1313 A 90 LEU HD1% A 90 LEU HBy 1.0 1.8 3.97 1731 1314 A 90 LEU HD2% A 90 LEU HBy 1.0 1.8 4.04 1732 1315 A 91 HIS H A 90 LEU HBy 1.0 1.8 5.10 1733 1316 A 90 LEU HD1% A 90 LEU HBx 1.0 1.8 3.97 1734 1317 A 90 LEU HBx A 90 LEU HD2% 1.0 1.8 4.04 1735 1318 A 90 LEU HBx A 91 HIS H 1.0 1.8 5.10 1736 1319 A 91 HIS H A 90 LEU HD2% 1.0 1.8 4.40 1737 1320 A 90 LEU H A 90 LEU HBy 1.0 1.8 3.92 1738 1320 A 90 LEU H A 90 LEU HBx 1.0 1.8 3.92 1739 1321 A 90 LEU HD1% A 90 LEU H 1.0 1.8 5.14 1740 1322 A 90 LEU H A 90 LEU HD2% 1.0 1.8 5.25 1741 1323 A 90 LEU HG A 90 LEU H 1.0 1.8 3.98 1742 1324 A 91 HIS HA A 92 VAL HA 1.0 1.8 6.05 1743 1325 A 91 HIS HA A 92 VAL HG2% 1.0 1.8 4.63 1744 1326 A 91 HIS HA A 92 VAL H 1.0 1.8 3.39 1745 1327 A 93 VAL HG2% A 91 HIS HBx 1.0 1.8 5.36 1746 1327 A 93 VAL HG2% A 91 HIS HBy 1.0 1.8 5.36 1747 1328 A 92 VAL H A 91 HIS HBy 1.0 1.8 5.81 1748 1329 A 92 VAL H A 91 HIS HBx 1.0 1.8 5.81 1749 1330 A 93 VAL HG1% A 91 HIS HD2 1.0 1.8 5.10 1750 1331 A 93 VAL HG2% A 91 HIS HD2 1.0 1.8 3.55 1751 1332 A 91 HIS HE1 A 93 VAL HG2% 1.0 1.8 4.91 1752 1333 A 92 VAL H A 91 HIS H 1.0 1.8 5.62 1753 1334 A 92 VAL HA A 92 VAL HG1% 1.0 1.8 3.81 1754 1335 A 92 VAL HG2% A 92 VAL HA 1.0 1.8 3.44 1755 1336 A 92 VAL HA A 93 VAL H 1.0 1.8 3.17 1756 1337 A 92 VAL HB A 93 VAL H 1.0 1.8 4.92 1757 1338 A 92 VAL HG1% A 93 VAL H 1.0 1.8 4.06 1758 1339 A 92 VAL HG1% A 94 ASP HBx 1.0 1.8 4.00 1759 1339 A 92 VAL HG1% A 94 ASP HBy 1.0 1.8 4.00 1760 1340 A 92 VAL HG1% A 94 ASP H 1.0 1.8 4.49 1761 1341 A 92 VAL HG2% A 93 VAL H 1.0 1.8 4.73 1762 1342 A 92 VAL H A 92 VAL HB 1.0 1.8 3.74 1763 1343 A 92 VAL HG2% A 92 VAL H 1.0 1.8 3.62 1764 1344 A 92 VAL H A 93 VAL HG2% 1.0 1.8 5.15 1765 1345 A 92 VAL H A 93 VAL H 1.0 1.8 5.12 1766 1346 A 93 VAL HA A 93 VAL HG1% 1.0 1.8 3.45 1767 1347 A 93 VAL HA A 93 VAL HG2% 1.0 1.8 3.62 1768 1348 A 93 VAL HA A 94 ASP HBx 1.0 1.8 5.87 1769 1348 A 93 VAL HA A 94 ASP HBy 1.0 1.8 5.87 1770 1349 A 93 VAL HA A 94 ASP H 1.0 1.8 3.34 1771 1350 A 94 ASP H A 93 VAL HB 1.0 1.8 5.06 1772 1351 A 93 VAL HG1% A 94 ASP H 1.0 1.8 3.85 1773 1352 A 93 VAL HG1% A 95 SER H 1.0 1.8 5.30 1774 1353 A 94 ASP H A 93 VAL HG2% 1.0 1.8 5.53 1775 1354 A 93 VAL H A 93 VAL HB 1.0 1.8 3.79 1776 1355 A 93 VAL H A 93 VAL HG2% 1.0 1.8 3.66 1777 1356 A 94 ASP H A 93 VAL H 1.0 1.8 5.22 1778 1357 A 94 ASP HA A 95 SER H 1.0 1.8 3.55 1779 1358 A 95 SER HA A 94 ASP HBx 1.0 1.8 5.87 1780 1358 A 95 SER HA A 94 ASP HBy 1.0 1.8 5.87 1781 1359 A 95 SER H A 94 ASP HBx 1.0 1.8 4.28 1782 1359 A 94 ASP HBy A 95 SER H 1.0 1.8 4.28 1783 1360 A 94 ASP H A 94 ASP HBy 1.0 1.8 4.29 1784 1361 A 94 ASP H A 94 ASP HBx 1.0 1.8 4.29 1785 1362 A 94 ASP H A 95 SER H 1.0 1.8 4.70 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 19 ASN H A 88 LEU O 1.0 1.7 2.3 2 2 A 88 LEU O A 19 ASN N 1.0 2.7 3.3 3 3 A 20 VAL H A 29 ALA O 1.0 1.7 2.3 4 4 A 29 ALA O A 20 VAL N 1.0 2.7 3.3 5 5 A 21 SER H A 90 LEU O 1.0 1.7 2.3 6 6 A 90 LEU O A 21 SER N 1.0 2.7 3.3 7 7 A 23 SER H A 92 VAL O 1.0 1.7 2.3 8 8 A 92 VAL O A 23 SER N 1.0 2.7 3.3 9 9 A 29 ALA H A 20 VAL O 1.0 1.7 2.3 10 10 A 20 VAL O A 29 ALA N 1.0 2.7 3.3 11 11 A 32 VAL H A 18 VAL O 1.0 1.7 2.3 12 12 A 18 VAL O A 32 VAL N 1.0 2.7 3.3 13 13 A 36 LYS H A 14 ASP O 1.0 1.7 2.3 14 14 A 14 ASP O A 36 LYS N 1.0 2.7 3.3 15 15 A 38 LEU H A 35 ALA O 1.0 1.7 2.3 16 16 A 35 ALA O A 38 LEU N 1.0 2.7 3.3 17 17 A 43 LEU H A 39 THR O 1.0 1.7 2.3 18 18 A 39 THR O A 43 LEU N 1.0 2.7 3.3 19 19 A 44 LYS H A 40 VAL O 1.0 1.7 2.3 20 20 A 40 VAL O A 44 LYS N 1.0 2.7 3.3 21 21 A 45 THR H A 41 ALA O 1.0 1.7 2.3 22 22 A 41 ALA O A 45 THR N 1.0 2.7 3.3 23 23 A 46 LYS H A 42 GLN O 1.0 1.7 2.3 24 24 A 42 GLN O A 46 LYS N 1.0 2.7 3.3 25 25 A 47 LEU H A 43 LEU O 1.0 1.7 2.3 26 26 A 43 LEU O A 47 LEU N 1.0 2.7 3.3 27 27 A 48 GLU H A 44 LYS O 1.0 1.7 2.3 28 28 A 44 LYS O A 48 GLU N 1.0 2.7 3.3 29 29 A 49 ILE H A 45 THR O 1.0 1.7 2.3 30 30 A 45 THR O A 49 ILE N 1.0 2.7 3.3 31 31 A 50 LEU H A 46 LYS O 1.0 1.7 2.3 32 32 A 46 LYS O A 50 LEU N 1.0 2.7 3.3 33 33 A 59 LYS H A 93 VAL O 1.0 1.7 2.3 34 34 A 93 VAL O A 59 LYS N 1.0 2.7 3.3 35 35 A 61 GLN H A 91 HIS O 1.0 1.7 2.3 36 36 A 91 HIS O A 61 GLN N 1.0 2.7 3.3 37 37 A 62 VAL H A 70 SER O 1.0 1.7 2.3 38 38 A 70 SER O A 62 VAL N 1.0 2.7 3.3 39 39 A 63 PHE H A 89 ARG O 1.0 1.7 2.3 40 40 A 89 ARG O A 63 PHE N 1.0 2.7 3.3 41 41 A 64 LYS H A 67 THR O 1.0 1.7 2.3 42 42 A 67 THR O A 64 LYS N 1.0 2.7 3.3 43 43 A 77 ALA H A 74 ASN O 1.0 1.7 2.3 44 44 A 74 ASN O A 77 ALA N 1.0 2.7 3.3 45 45 A 79 LEU H A 38 LEU O 1.0 1.7 2.3 46 46 A 38 LEU O A 79 LEU N 1.0 2.7 3.3 47 47 A 80 GLY H A 36 LYS O 1.0 1.7 2.3 48 48 A 36 LYS O A 80 GLY N 1.0 2.7 3.3 49 49 A 83 ALA H A 79 LEU O 1.0 1.7 2.3 50 50 A 79 LEU O A 83 ALA N 1.0 2.7 3.3 51 51 A 87 GLY H A 17 LYS O 1.0 1.7 2.3 52 52 A 17 LYS O A 87 GLY N 1.0 2.7 3.3 53 53 A 89 ARG H A 63 PHE O 1.0 1.7 2.3 54 54 A 63 PHE O A 89 ARG N 1.0 2.7 3.3 55 55 A 90 LEU H A 19 ASN O 1.0 1.7 2.3 56 56 A 19 ASN O A 90 LEU N 1.0 2.7 3.3 57 57 A 91 HIS H A 61 GLN O 1.0 1.7 2.3 58 58 A 61 GLN O A 91 HIS N 1.0 2.7 3.3 59 59 A 92 VAL H A 21 SER O 1.0 1.7 2.3 60 60 A 21 SER O A 92 VAL N 1.0 2.7 3.3 61 61 A 93 VAL H A 59 LYS O 1.0 1.7 2.3 62 62 A 59 LYS O A 93 VAL N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 14 ASP C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -160.69 -100.69 PHI 2 2 A 15 PHE N A 15 PHE CA A 15 PHE C A 16 ILE N 1.0 127.67 187.67 PSI 3 3 A 15 PHE C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -162.07 -102.07 PHI 4 4 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 LYS N 1.0 120.99 180.99 PSI 5 5 A 16 ILE C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -142.00 -82.00 PHI 6 6 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 VAL N 1.0 102.99 162.99 PSI 7 7 A 17 LYS C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -164.85 -104.85 PHI 8 8 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 ASN N 1.0 132.64 192.64 PSI 9 9 A 18 VAL C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -142.73 -82.73 PHI 10 10 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 VAL N 1.0 111.02 171.02 PSI 11 11 A 19 ASN C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -155.74 -95.74 PHI 12 12 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 SER N 1.0 95.11 155.11 PSI 13 13 A 20 VAL C A 21 SER N A 21 SER CA A 21 SER C 1.0 -149.81 -89.81 PHI 14 14 A 21 SER N A 21 SER CA A 21 SER C A 22 ASN N 1.0 126.06 186.06 PSI 15 15 A 21 SER C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -151.76 -91.76 PHI 16 16 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 SER N 1.0 132.32 192.32 PSI 17 17 A 26 ASP C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -104.40 -44.40 PHI 18 18 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 VAL N 1.0 107.34 167.34 PSI 19 19 A 27 ALA C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -146.36 -86.36 PHI 20 20 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 ALA N 1.0 102.72 162.72 PSI 21 21 A 28 VAL C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -135.48 -75.48 PHI 22 22 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 PHE N 1.0 95.58 155.58 PSI 23 23 A 31 GLU C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -114.51 -54.51 PHI 24 24 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 LYS N 1.0 99.60 159.60 PSI 25 25 A 32 VAL C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -130.67 -70.67 PHI 26 26 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 LEU N 1.0 98.27 158.27 PSI 27 27 A 33 LYS C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -151.26 -91.26 PHI 28 28 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ALA N 1.0 108.45 168.45 PSI 29 29 A 35 ALA C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -87.96 -27.96 PHI 30 30 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 ASP N 1.0 -58.36 1.64 PSI 31 31 A 36 LYS C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -121.34 -61.34 PHI 32 32 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 LEU N 1.0 -31.01 28.99 PSI 33 33 A 38 LEU C A 39 THR N A 39 THR CA A 39 THR C 1.0 -121.10 -61.10 PHI 34 34 A 39 THR N A 39 THR CA A 39 THR C A 40 VAL N 1.0 133.46 193.46 PSI 35 35 A 39 THR C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -90.49 -30.49 PHI 36 36 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 ALA N 1.0 -67.01 -7.01 PSI 37 37 A 40 VAL C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -90.74 -30.74 PHI 38 38 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 GLN N 1.0 -71.28 -11.28 PSI 39 39 A 41 ALA C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -95.55 -35.55 PHI 40 40 A 42 GLN N A 42 GLN CA A 42 GLN C A 43 LEU N 1.0 -68.56 -8.56 PSI 41 41 A 42 GLN C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -95.53 -35.53 PHI 42 42 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 LYS N 1.0 -73.19 -13.19 PSI 43 43 A 43 LEU C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -89.33 -29.33 PHI 44 44 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 THR N 1.0 -70.50 -10.50 PSI 45 45 A 44 LYS C A 45 THR N A 45 THR CA A 45 THR C 1.0 -94.88 -34.88 PHI 46 46 A 45 THR N A 45 THR CA A 45 THR C A 46 LYS N 1.0 -71.97 -11.97 PSI 47 47 A 45 THR C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -95.45 -35.45 PHI 48 48 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 LEU N 1.0 -75.49 -15.49 PSI 49 49 A 46 LYS C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -94.62 -34.62 PHI 50 50 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 GLU N 1.0 -67.71 -7.71 PSI 51 51 A 47 LEU C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -95.15 -35.15 PHI 52 52 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 ILE N 1.0 -72.36 -12.36 PSI 53 53 A 48 GLU C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -95.06 -35.06 PHI 54 54 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 LEU N 1.0 -69.11 -9.11 PSI 55 55 A 49 ILE C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -111.93 -51.93 PHI 56 56 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 THR N 1.0 -63.63 -3.63 PSI 57 57 A 50 LEU C A 51 THR N A 51 THR CA A 51 THR C 1.0 -139.28 -79.28 PHI 58 58 A 51 THR N A 51 THR CA A 51 THR C A 52 GLY N 1.0 -45.20 14.80 PSI 59 59 A 51 THR C A 52 GLY N A 52 GLY CA A 52 GLY C 1.0 54.38 114.38 PHI 60 60 A 52 GLY N A 52 GLY CA A 52 GLY C A 53 GLY N 1.0 -21.10 38.90 PSI 61 61 A 54 CYS C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -94.46 -34.46 PHI 62 62 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 GLY N 1.0 -53.38 6.62 PSI 63 63 A 55 ALA C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -95.89 -35.89 PHI 64 64 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 THR N 1.0 -54.87 5.13 PSI 65 65 A 58 MET C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -143.12 -83.12 PHI 66 66 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 VAL N 1.0 108.43 168.43 PSI 67 67 A 59 LYS C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -131.44 -71.44 PHI 68 68 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 GLN N 1.0 98.30 158.30 PSI 69 69 A 60 VAL C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -153.49 -93.49 PHI 70 70 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 VAL N 1.0 116.96 176.96 PSI 71 71 A 61 GLN C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -134.89 -74.89 PHI 72 72 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 PHE N 1.0 96.68 156.68 PSI 73 73 A 62 VAL C A 63 PHE N A 63 PHE CA A 63 PHE C 1.0 -143.04 -83.04 PHI 74 74 A 63 PHE N A 63 PHE CA A 63 PHE C A 64 LYS N 1.0 97.46 157.46 PSI 75 75 A 63 PHE C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -156.89 -96.89 PHI 76 76 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 GLY N 1.0 80.95 140.95 PSI 77 77 A 64 LYS C A 65 GLY N A 65 GLY CA A 65 GLY C 1.0 41.08 101.08 PHI 78 78 A 65 GLY N A 65 GLY CA A 65 GLY C A 66 ASP N 1.0 -152.94 -92.94 PSI 79 79 A 66 ASP C A 67 THR N A 67 THR CA A 67 THR C 1.0 -147.19 -87.19 PHI 80 80 A 67 THR N A 67 THR CA A 67 THR C A 68 CYS N 1.0 98.90 158.90 PSI 81 81 A 67 THR C A 68 CYS N A 68 CYS CA A 68 CYS C 1.0 -123.88 -63.88 PHI 82 82 A 68 CYS N A 68 CYS CA A 68 CYS C A 69 VAL N 1.0 93.24 153.24 PSI 83 83 A 68 CYS C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -125.19 -65.19 PHI 84 84 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 SER N 1.0 -69.21 -9.21 PSI 85 85 A 73 ASP C A 74 ASN N A 74 ASN CA A 74 ASN C 1.0 -126.91 -66.91 PHI 86 86 A 74 ASN N A 74 ASN CA A 74 ASN C A 75 ASN N 1.0 105.62 165.62 PSI 87 87 A 74 ASN C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 -94.66 -34.66 PHI 88 88 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 ASP N 1.0 -57.06 2.94 PSI 89 89 A 75 ASN C A 76 ASP N A 76 ASP CA A 76 ASP C 1.0 -117.48 -57.48 PHI 90 90 A 76 ASP N A 76 ASP CA A 76 ASP C A 77 ALA N 1.0 -35.60 24.40 PSI 91 91 A 76 ASP C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -127.49 -67.49 PHI 92 92 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 GLN N 1.0 111.74 171.74 PSI 93 93 A 77 ALA C A 78 GLN N A 78 GLN CA A 78 GLN C 1.0 -119.82 -59.82 PHI 94 94 A 78 GLN N A 78 GLN CA A 78 GLN C A 79 LEU N 1.0 125.09 185.09 PSI 95 95 A 78 GLN C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -85.77 -25.77 PHI 96 96 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 GLY N 1.0 -67.23 -7.23 PSI 97 97 A 79 LEU C A 80 GLY N A 80 GLY CA A 80 GLY C 1.0 -110.79 -50.79 PHI 98 98 A 80 GLY N A 80 GLY CA A 80 GLY C A 81 TYR N 1.0 -52.19 7.81 PSI 99 99 A 87 GLY C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -121.50 -61.50 PHI 100 100 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 ARG N 1.0 118.87 178.87 PSI 101 101 A 88 LEU C A 89 ARG N A 89 ARG CA A 89 ARG C 1.0 -156.31 -96.31 PHI 102 102 A 89 ARG N A 89 ARG CA A 89 ARG C A 90 LEU N 1.0 104.25 164.25 PSI 103 103 A 89 ARG C A 90 LEU N A 90 LEU CA A 90 LEU C 1.0 -137.33 -77.33 PHI 104 104 A 90 LEU N A 90 LEU CA A 90 LEU C A 91 HIS N 1.0 96.52 156.52 PSI 105 105 A 90 LEU C A 91 HIS N A 91 HIS CA A 91 HIS C 1.0 -147.65 -87.65 PHI 106 106 A 91 HIS N A 91 HIS CA A 91 HIS C A 92 VAL N 1.0 100.27 160.27 PSI 107 107 A 91 HIS C A 92 VAL N A 92 VAL CA A 92 VAL C 1.0 -133.76 -73.76 PHI 108 108 A 92 VAL N A 92 VAL CA A 92 VAL C A 93 VAL N 1.0 94.15 154.15 PSI 109 109 A 92 VAL C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -140.51 -80.51 PHI 110 110 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 ASP N 1.0 98.06 158.06 PSI 111 111 A 93 VAL C A 94 ASP N A 94 ASP CA A 94 ASP C 1.0 -127.21 -67.21 PHI 112 112 A 94 ASP N A 94 ASP CA A 94 ASP C A 95 SER N 1.0 86.98 146.98 PSI stop_ save_ save_Nnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2756.8 2 1H 9861.2 3 1H 15243.9 stop_ save_ save_Cnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 14963.6 2 1H 9861.2 3 1H 15243.9 stop_ save_ save_Cnoesy_arom_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_arom_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 5344.7 2 1H 9861.2 3 1H 15243.9 stop_ save_