data_nef_c17754_2lfi 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 . . . 2 A 2 ILE . . . 3 A 3 GLU . . . 4 A 4 PRO . . . 5 A 5 ILE . . . 6 A 6 LYS . . . 7 A 7 ARG . . . 8 A 8 THR . . . 9 A 9 GLN . . . 10 A 10 VAL . . . 11 A 11 VAL . . . 12 A 12 THR . . . 13 A 13 GLN . . . 14 A 14 THR . . . 15 A 15 ILE . . . 16 A 16 HIS . . . 17 A 17 TYR . . . 18 A 18 ARG . . . 19 A 19 TYR . . . 20 A 20 GLU . . . 21 A 21 ASP . . . 22 A 22 GLY . . . 23 A 23 ALA . . . 24 A 24 VAL . . . 25 A 25 ALA . . . 26 A 26 HIS . . . 27 A 27 ASP . . . 28 A 28 ASP . . . 29 A 29 HIS . . . 30 A 30 VAL . . . 31 A 31 VAL . . . 32 A 32 SER . . . 33 A 33 LEU . . . 34 A 34 ILE . . . 35 A 35 PHE . . . 36 A 36 THR . . . 37 A 37 GLN . . . 38 A 38 SER . . . 39 A 39 GLY . . . 40 A 40 LYS . . . 41 A 41 ARG . . . 42 A 42 ASP . . . 43 A 43 LEU . . . 44 A 44 THR . . . 45 A 45 ASN . . . 46 A 46 GLY . . . 47 A 47 LYS . . . 48 A 48 GLU . . . 49 A 49 ILE . . . 50 A 50 TRP . . . 51 A 51 ASP . . . 52 A 52 SER . . . 53 A 53 LYS . . . 54 A 54 TRP . . . 55 A 55 SER . . . 56 A 56 LEU . . . 57 A 57 THR . . . 58 A 58 GLN . . . 59 A 59 THR . . . 60 A 60 PHE . . . 61 A 61 GLU . . . 62 A 62 ALA . . . 63 A 63 LEU . . . 64 A 64 PRO . . . 65 A 65 SER . . . 66 A 66 PRO . . . 67 A 67 VAL . . . 68 A 68 ILE . . . 69 A 69 ILE . . . 70 A 70 GLY . . . 71 A 71 TYR . . . 72 A 72 THR . . . 73 A 73 ALA . . . 74 A 74 ASP . . . 75 A 75 LYS . . . 76 A 76 PRO . . . 77 A 77 MET . . . 78 A 78 VAL . . . 79 A 79 GLY . . . 80 A 80 PRO . . . 81 A 81 ASP . . . 82 A 82 GLU . . . 83 A 83 VAL . . . 84 A 84 THR . . . 85 A 85 VAL . . . 86 A 86 ASP . . . 87 A 87 SER . . . 88 A 88 LYS . . . 89 A 89 ASN . . . 90 A 90 PHE . . . 91 A 91 LEU . . . 92 A 92 ASP . . . 93 A 93 LYS . . . 94 A 94 GLN . . . 95 A 95 ASN . . . 96 A 96 ARG . . . 97 A 97 GLU . . . 98 A 98 GLU . . . 99 A 99 THR . . . 100 A 100 VAL . . . 101 A 101 ILE . . . 102 A 102 TYR . . . 103 A 103 SER . . . 104 A 104 ALA . . . 105 A 105 ASN . . . 106 A 106 THR . . . 107 A 107 ILE . . . 108 A 108 THR . . . 109 A 109 GLN . . . 110 A 110 ASN . . . 111 A 111 LYS . . . 112 A 112 LYS . . . 113 A 113 ASP . . . 114 A 114 GLY . . . 115 A 115 LEU . . . 116 A 116 GLU . . . 117 A 117 HIS . . . 118 A 118 HIS . . . 119 A 119 HIS . . . 120 A 120 HIS . . . 121 A 121 HIS . . . 122 A 122 HIS . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.07 0.02 A 1 MET HBx H 1 2.09 0.02 A 1 MET HBy H 1 2.09 0.02 A 1 MET HGx H 1 2.56 0.02 A 1 MET HGy H 1 2.56 0.02 A 1 MET C C 13 172.2 0.2 A 1 MET CA C 13 55.2 0.2 A 1 MET CB C 13 33.8 0.2 A 1 MET CG C 13 31.4 0.2 A 2 ILE H H 1 8.43 0.02 A 2 ILE HA H 1 5.05 0.02 A 2 ILE HB H 1 1.70 0.02 A 2 ILE HD1% H 1 0.70 0.02 A 2 ILE HG1x H 1 1.12 0.02 A 2 ILE HG1y H 1 1.40 0.02 A 2 ILE HG2% H 1 0.72 0.02 A 2 ILE C C 13 175.5 0.2 A 2 ILE CA C 13 58.9 0.2 A 2 ILE CB C 13 40.3 0.2 A 2 ILE CD1 C 13 12.6 0.2 A 2 ILE CG1 C 13 27.0 0.2 A 2 ILE CG2 C 13 18.7 0.2 A 2 ILE N N 15 121.5 0.2 A 3 GLU H H 1 9.00 0.02 A 3 GLU HA H 1 4.99 0.02 A 3 GLU HBx H 1 1.93 0.02 A 3 GLU HBy H 1 1.93 0.02 A 3 GLU HGx H 1 2.16 0.02 A 3 GLU HGy H 1 2.16 0.02 A 3 GLU CA C 13 52.5 0.2 A 3 GLU CB C 13 32.5 0.2 A 3 GLU CG C 13 35.4 0.2 A 3 GLU N N 15 125.5 0.2 A 4 PRO HA H 1 4.70 0.02 A 4 PRO HBy H 1 2.27 0.02 A 4 PRO HBx H 1 1.96 0.02 A 4 PRO HDx H 1 3.76 0.02 A 4 PRO HDy H 1 3.76 0.02 A 4 PRO HGx H 1 1.99 0.02 A 4 PRO HGy H 1 2.14 0.02 A 4 PRO C C 13 176.2 0.2 A 4 PRO CA C 13 62.8 0.2 A 4 PRO CB C 13 32.2 0.2 A 4 PRO CD C 13 50.9 0.2 A 4 PRO CG C 13 27.3 0.2 A 5 ILE H H 1 7.77 0.02 A 5 ILE HA H 1 4.68 0.02 A 5 ILE HB H 1 1.81 0.02 A 5 ILE HD1% H 1 -0.05 0.02 A 5 ILE HG1y H 1 0.36 0.02 A 5 ILE HG1x H 1 0.08 0.02 A 5 ILE HG2% H 1 0.64 0.02 A 5 ILE C C 13 174.8 0.2 A 5 ILE CA C 13 60.0 0.2 A 5 ILE CB C 13 42.9 0.2 A 5 ILE CD1 C 13 14.1 0.2 A 5 ILE CG1 C 13 24.8 0.2 A 5 ILE CG2 C 13 18.7 0.2 A 5 ILE N N 15 116.0 0.2 A 6 LYS H H 1 8.44 0.02 A 6 LYS HA H 1 5.48 0.02 A 6 LYS HBx H 1 1.50 0.02 A 6 LYS HBy H 1 1.63 0.02 A 6 LYS HDx H 1 1.43 0.02 A 6 LYS HDy H 1 1.48 0.02 A 6 LYS HEx H 1 2.81 0.02 A 6 LYS HEy H 1 2.85 0.02 A 6 LYS HGx H 1 1.24 0.02 A 6 LYS HGy H 1 1.29 0.02 A 6 LYS C C 13 175.0 0.2 A 6 LYS CA C 13 55.5 0.2 A 6 LYS CB C 13 37.1 0.2 A 6 LYS CD C 13 29.6 0.2 A 6 LYS CE C 13 42.3 0.2 A 6 LYS CG C 13 24.5 0.2 A 6 LYS N N 15 119.1 0.2 A 7 ARG H H 1 8.75 0.02 A 7 ARG HA H 1 4.77 0.02 A 7 ARG HBx H 1 1.62 0.02 A 7 ARG HBy H 1 1.62 0.02 A 7 ARG C C 13 173.7 0.2 A 7 ARG CA C 13 54.8 0.2 A 7 ARG CB C 13 32.1 0.2 A 7 ARG N N 15 117.8 0.2 A 8 THR H H 1 8.59 0.02 A 8 THR HA H 1 5.52 0.02 A 8 THR HB H 1 3.70 0.02 A 8 THR HG2% H 1 1.07 0.02 A 8 THR C C 13 173.2 0.2 A 8 THR CA C 13 62.0 0.2 A 8 THR CB C 13 72.7 0.2 A 8 THR CG2 C 13 23.0 0.2 A 8 THR N N 15 116.5 0.2 A 9 GLN H H 1 9.47 0.02 A 9 GLN HA H 1 4.78 0.02 A 9 GLN HBx H 1 1.19 0.02 A 9 GLN HBy H 1 1.30 0.02 A 9 GLN HE21 H 1 6.32 0.02 A 9 GLN HE22 H 1 7.09 0.02 A 9 GLN HGx H 1 1.67 0.02 A 9 GLN HGy H 1 2.04 0.02 A 9 GLN C C 13 173.5 0.2 A 9 GLN CA C 13 54.0 0.2 A 9 GLN CB C 13 32.4 0.2 A 9 GLN CG C 13 33.3 0.2 A 9 GLN N N 15 129.2 0.2 A 9 GLN NE2 N 15 111.0 0.2 A 10 VAL H H 1 8.46 0.02 A 10 VAL HA H 1 4.90 0.02 A 10 VAL HB H 1 1.93 0.02 A 10 VAL HG1% H 1 0.90 0.02 A 10 VAL HG2% H 1 0.82 0.02 A 10 VAL C C 13 175.5 0.2 A 10 VAL CA C 13 61.2 0.2 A 10 VAL CB C 13 33.5 0.2 A 10 VAL CG1 C 13 21.1 0.2 A 10 VAL CG2 C 13 21.2 0.2 A 10 VAL N N 15 128.3 0.2 A 11 VAL H H 1 9.18 0.02 A 11 VAL HA H 1 4.61 0.02 A 11 VAL HB H 1 1.96 0.02 A 11 VAL HG1% H 1 1.05 0.02 A 11 VAL HG2% H 1 0.60 0.02 A 11 VAL C C 13 175.3 0.2 A 11 VAL CA C 13 61.2 0.2 A 11 VAL CB C 13 33.5 0.2 A 11 VAL CG1 C 13 21.8 0.2 A 11 VAL CG2 C 13 20.8 0.2 A 11 VAL N N 15 128.4 0.2 A 12 THR H H 1 8.75 0.02 A 12 THR HA H 1 5.40 0.02 A 12 THR HB H 1 3.76 0.02 A 12 THR HG2% H 1 1.04 0.02 A 12 THR C C 13 172.9 0.2 A 12 THR CA C 13 60.9 0.2 A 12 THR CB C 13 71.7 0.2 A 12 THR CG2 C 13 21.8 0.2 A 12 THR N N 15 121.7 0.2 A 13 GLN H H 1 8.90 0.02 A 13 GLN HA H 1 4.62 0.02 A 13 GLN HBx H 1 1.25 0.02 A 13 GLN HBy H 1 1.25 0.02 A 13 GLN HGx H 1 1.28 0.02 A 13 GLN HGy H 1 1.28 0.02 A 13 GLN C C 13 174.7 0.2 A 13 GLN CA C 13 54.5 0.2 A 13 GLN CB C 13 30.4 0.2 A 13 GLN CG C 13 33.8 0.2 A 13 GLN N N 15 124.8 0.2 A 14 THR H H 1 8.32 0.02 A 14 THR HA H 1 4.97 0.02 A 14 THR HB H 1 3.64 0.02 A 14 THR HG2% H 1 0.53 0.02 A 14 THR C C 13 172.1 0.2 A 14 THR CA C 13 61.7 0.2 A 14 THR CB C 13 70.1 0.2 A 14 THR CG2 C 13 20.6 0.2 A 14 THR N N 15 127.5 0.2 A 15 ILE H H 1 9.04 0.02 A 15 ILE HA H 1 4.43 0.02 A 15 ILE HB H 1 1.69 0.02 A 15 ILE HD1% H 1 0.44 0.02 A 15 ILE HG1x H 1 0.22 0.02 A 15 ILE HG1y H 1 0.22 0.02 A 15 ILE HG2% H 1 0.46 0.02 A 15 ILE C C 13 174.6 0.2 A 15 ILE CA C 13 58.3 0.2 A 15 ILE CB C 13 38.1 0.2 A 15 ILE CD1 C 13 11.5 0.2 A 15 ILE CG1 C 13 18.0 0.2 A 15 ILE CG2 C 13 13.1 0.2 A 15 ILE N N 15 126.6 0.2 A 16 HIS H H 1 8.64 0.02 A 16 HIS HA H 1 5.16 0.02 A 16 HIS HBx H 1 3.24 0.02 A 16 HIS HBy H 1 3.28 0.02 A 16 HIS HD2 H 1 6.89 0.02 A 16 HIS C C 13 173.5 0.2 A 16 HIS CA C 13 52.3 0.2 A 16 HIS CB C 13 30.3 0.2 A 16 HIS CD2 C 13 121.2 0.2 A 16 HIS N N 15 121.8 0.2 A 17 TYR H H 1 9.84 0.02 A 17 TYR HA H 1 5.48 0.02 A 17 TYR HBx H 1 2.95 0.02 A 17 TYR HBy H 1 3.00 0.02 A 17 TYR HEx H 1 6.67 0.02 A 17 TYR HEy H 1 6.67 0.02 A 17 TYR C C 13 176.3 0.2 A 17 TYR CA C 13 57.1 0.2 A 17 TYR CB C 13 40.9 0.2 A 17 TYR CEx C 13 117.9 0.2 A 17 TYR CEy C 13 117.9 0.2 A 17 TYR N N 15 121.5 0.2 A 18 ARG H H 1 9.65 0.02 A 18 ARG HA H 1 5.24 0.02 A 18 ARG HBx H 1 1.56 0.02 A 18 ARG HBy H 1 1.59 0.02 A 18 ARG HDx H 1 2.99 0.02 A 18 ARG HDy H 1 3.14 0.02 A 18 ARG HE H 1 7.37 0.02 A 18 ARG HGx H 1 1.40 0.02 A 18 ARG HGy H 1 1.60 0.02 A 18 ARG HH1x H 1 6.13 0.02 A 18 ARG HH1y H 1 6.13 0.02 A 18 ARG C C 13 175.5 0.2 A 18 ARG CA C 13 53.7 0.2 A 18 ARG CB C 13 35.2 0.2 A 18 ARG CD C 13 43.5 0.2 A 18 ARG CG C 13 27.4 0.2 A 18 ARG N N 15 125.3 0.2 A 18 ARG NE N 15 113.7 0.2 A 18 ARG NHx N 15 107.7 0.2 A 19 TYR H H 1 8.98 0.02 A 19 TYR HA H 1 5.15 0.02 A 19 TYR HBx H 1 2.90 0.02 A 19 TYR HBy H 1 3.46 0.02 A 19 TYR HDx H 1 6.66 0.02 A 19 TYR HDy H 1 6.66 0.02 A 19 TYR HEx H 1 5.71 0.02 A 19 TYR HEy H 1 5.71 0.02 A 19 TYR C C 13 178.9 0.2 A 19 TYR CA C 13 58.8 0.2 A 19 TYR CB C 13 40.1 0.2 A 19 TYR CDx C 13 132.9 0.2 A 19 TYR CDy C 13 132.9 0.2 A 19 TYR CEx C 13 118.2 0.2 A 19 TYR CEy C 13 118.2 0.2 A 19 TYR N N 15 119.2 0.2 A 20 GLU H H 1 8.96 0.02 A 20 GLU HA H 1 3.94 0.02 A 20 GLU HBx H 1 2.19 0.02 A 20 GLU HBy H 1 2.19 0.02 A 20 GLU HGx H 1 2.34 0.02 A 20 GLU HGy H 1 2.51 0.02 A 20 GLU C C 13 176.3 0.2 A 20 GLU CA C 13 59.9 0.2 A 20 GLU CB C 13 30.1 0.2 A 20 GLU CG C 13 37.1 0.2 A 20 GLU N N 15 121.5 0.2 A 21 ASP H H 1 7.97 0.02 A 21 ASP HA H 1 4.52 0.02 A 21 ASP HBy H 1 3.03 0.02 A 21 ASP HBx H 1 2.64 0.02 A 21 ASP C C 13 177.0 0.2 A 21 ASP CA C 13 53.7 0.2 A 21 ASP CB C 13 40.1 0.2 A 21 ASP N N 15 115.6 0.2 A 22 GLY H H 1 8.09 0.02 A 22 GLY HAx H 1 3.58 0.02 A 22 GLY HAy H 1 4.42 0.02 A 22 GLY C C 13 174.1 0.2 A 22 GLY CA C 13 44.9 0.2 A 22 GLY N N 15 108.5 0.2 A 23 ALA H H 1 8.06 0.02 A 23 ALA HA H 1 4.33 0.02 A 23 ALA HB% H 1 1.52 0.02 A 23 ALA C C 13 177.0 0.2 A 23 ALA CA C 13 52.2 0.2 A 23 ALA CB C 13 19.6 0.2 A 23 ALA N N 15 123.8 0.2 A 24 VAL H H 1 8.63 0.02 A 24 VAL HA H 1 3.77 0.02 A 24 VAL HB H 1 1.98 0.02 A 24 VAL HG1% H 1 0.93 0.02 A 24 VAL HG2% H 1 1.06 0.02 A 24 VAL C C 13 176.0 0.2 A 24 VAL CA C 13 65.3 0.2 A 24 VAL CB C 13 32.3 0.2 A 24 VAL CG1 C 13 21.5 0.2 A 24 VAL CG2 C 13 22.0 0.2 A 24 VAL N N 15 121.4 0.2 A 25 ALA H H 1 8.67 0.02 A 25 ALA HA H 1 4.15 0.02 A 25 ALA HB% H 1 -0.11 0.02 A 25 ALA C C 13 176.2 0.2 A 25 ALA CA C 13 52.3 0.2 A 25 ALA CB C 13 19.0 0.2 A 25 ALA N N 15 129.5 0.2 A 26 HIS H H 1 7.48 0.02 A 26 HIS HA H 1 4.28 0.02 A 26 HIS HBx H 1 2.67 0.02 A 26 HIS HBy H 1 2.67 0.02 A 26 HIS C C 13 171.9 0.2 A 26 HIS CA C 13 55.3 0.2 A 26 HIS CB C 13 31.0 0.2 A 26 HIS N N 15 116.0 0.2 A 27 ASP H H 1 8.31 0.02 A 27 ASP HA H 1 4.48 0.02 A 27 ASP HBx H 1 2.34 0.02 A 27 ASP HBy H 1 2.75 0.02 A 27 ASP C C 13 176.5 0.2 A 27 ASP CA C 13 55.7 0.2 A 27 ASP CB C 13 41.1 0.2 A 27 ASP N N 15 125.1 0.2 A 28 ASP H H 1 8.94 0.02 A 28 ASP HA H 1 5.17 0.02 A 28 ASP HBx H 1 2.21 0.02 A 28 ASP HBy H 1 2.54 0.02 A 28 ASP C C 13 176.5 0.2 A 28 ASP CA C 13 54.9 0.2 A 28 ASP CB C 13 41.3 0.2 A 28 ASP N N 15 119.8 0.2 A 29 HIS H H 1 9.15 0.02 A 29 HIS HA H 1 4.92 0.02 A 29 HIS HBx H 1 3.12 0.02 A 29 HIS HBy H 1 3.52 0.02 A 29 HIS HD2 H 1 7.48 0.02 A 29 HIS C C 13 173.8 0.2 A 29 HIS CA C 13 56.4 0.2 A 29 HIS CB C 13 31.0 0.2 A 29 HIS CD2 C 13 122.0 0.2 A 29 HIS N N 15 121.4 0.2 A 30 VAL H H 1 8.52 0.02 A 30 VAL HA H 1 5.15 0.02 A 30 VAL HB H 1 1.76 0.02 A 30 VAL HGx% H 1 0.73 0.02 A 30 VAL HGy% H 1 0.83 0.02 A 30 VAL C C 13 174.9 0.2 A 30 VAL CA C 13 61.7 0.2 A 30 VAL CB C 13 34.9 0.2 A 30 VAL CG1 C 13 20.9 0.2 A 30 VAL CG2 C 13 21.3 0.2 A 30 VAL N N 15 128.2 0.2 A 31 VAL H H 1 8.35 0.02 A 31 VAL HA H 1 4.50 0.02 A 31 VAL HB H 1 2.18 0.02 A 31 VAL HG1% H 1 1.20 0.02 A 31 VAL HG2% H 1 1.24 0.02 A 31 VAL C C 13 173.6 0.2 A 31 VAL CA C 13 61.0 0.2 A 31 VAL CB C 13 36.0 0.2 A 31 VAL CG1 C 13 21.6 0.2 A 31 VAL CG2 C 13 21.7 0.2 A 31 VAL N N 15 125.8 0.2 A 32 SER H H 1 8.59 0.02 A 32 SER HA H 1 5.62 0.02 A 32 SER HBx H 1 3.51 0.02 A 32 SER HBy H 1 3.59 0.02 A 32 SER C C 13 172.8 0.2 A 32 SER CA C 13 57.6 0.2 A 32 SER CB C 13 65.8 0.2 A 32 SER N N 15 119.0 0.2 A 33 LEU H H 1 9.40 0.02 A 33 LEU HA H 1 4.51 0.02 A 33 LEU HBx H 1 0.69 0.02 A 33 LEU HBy H 1 1.44 0.02 A 33 LEU HD1% H 1 -0.41 0.02 A 33 LEU HD2% H 1 0.48 0.02 A 33 LEU HG H 1 1.11 0.02 A 33 LEU C C 13 174.8 0.2 A 33 LEU CA C 13 53.5 0.2 A 33 LEU CB C 13 46.4 0.2 A 33 LEU CD1 C 13 24.3 0.2 A 33 LEU CD2 C 13 21.9 0.2 A 33 LEU CG C 13 26.3 0.2 A 33 LEU N N 15 125.1 0.2 A 34 ILE H H 1 8.63 0.02 A 34 ILE HA H 1 4.54 0.02 A 34 ILE HB H 1 1.68 0.02 A 34 ILE HD1% H 1 0.75 0.02 A 34 ILE HG1x H 1 1.09 0.02 A 34 ILE HG1y H 1 1.41 0.02 A 34 ILE HG2% H 1 0.78 0.02 A 34 ILE C C 13 176.1 0.2 A 34 ILE CA C 13 60.9 0.2 A 34 ILE CB C 13 39.5 0.2 A 34 ILE CD1 C 13 13.1 0.2 A 34 ILE CG1 C 13 27.9 0.2 A 34 ILE CG2 C 13 18.5 0.2 A 34 ILE N N 15 121.4 0.2 A 35 PHE H H 1 9.27 0.02 A 35 PHE HA H 1 4.75 0.02 A 35 PHE HBx H 1 2.90 0.02 A 35 PHE HBy H 1 3.28 0.02 A 35 PHE HDx H 1 7.22 0.02 A 35 PHE HDy H 1 7.22 0.02 A 35 PHE HEx H 1 7.16 0.02 A 35 PHE HEy H 1 7.16 0.02 A 35 PHE C C 13 174.0 0.2 A 35 PHE CA C 13 56.5 0.2 A 35 PHE CB C 13 41.2 0.2 A 35 PHE CDx C 13 133.5 0.2 A 35 PHE CDy C 13 133.5 0.2 A 35 PHE CEx C 13 132.2 0.2 A 35 PHE CEy C 13 132.2 0.2 A 35 PHE N N 15 127.5 0.2 A 36 THR H H 1 8.79 0.02 A 36 THR HA H 1 5.31 0.02 A 36 THR HB H 1 3.85 0.02 A 36 THR HG2% H 1 1.00 0.02 A 36 THR C C 13 172.1 0.2 A 36 THR CA C 13 61.7 0.2 A 36 THR CB C 13 70.4 0.2 A 36 THR CG2 C 13 22.3 0.2 A 36 THR N N 15 121.6 0.2 A 37 GLN H H 1 8.76 0.02 A 37 GLN HA H 1 3.30 0.02 A 37 GLN HBx H 1 -0.34 0.02 A 37 GLN HBy H 1 0.63 0.02 A 37 GLN HE2x H 1 6.96 0.02 A 37 GLN HE2y H 1 6.96 0.02 A 37 GLN HGy H 1 2.20 0.02 A 37 GLN HGx H 1 1.02 0.02 A 37 GLN C C 13 174.3 0.2 A 37 GLN CA C 13 53.9 0.2 A 37 GLN CB C 13 30.4 0.2 A 37 GLN CG C 13 33.0 0.2 A 37 GLN N N 15 129.9 0.2 A 37 GLN NE2 N 15 107.8 0.2 A 38 SER H H 1 8.32 0.02 A 38 SER HA H 1 5.21 0.02 A 38 SER HBx H 1 3.94 0.02 A 38 SER HBy H 1 3.94 0.02 A 38 SER C C 13 173.3 0.2 A 38 SER CA C 13 58.0 0.2 A 38 SER CB C 13 65.2 0.2 A 38 SER N N 15 120.9 0.2 A 39 GLY H H 1 8.36 0.02 A 39 GLY HAx H 1 3.12 0.02 A 39 GLY HAy H 1 4.22 0.02 A 39 GLY C C 13 172.8 0.2 A 39 GLY CA C 13 45.3 0.2 A 39 GLY N N 15 109.9 0.2 A 40 LYS H H 1 8.00 0.02 A 40 LYS HA H 1 4.83 0.02 A 40 LYS HBx H 1 1.35 0.02 A 40 LYS HBy H 1 1.46 0.02 A 40 LYS HDx H 1 1.40 0.02 A 40 LYS HDy H 1 1.52 0.02 A 40 LYS HEx H 1 2.80 0.02 A 40 LYS HEy H 1 2.80 0.02 A 40 LYS HGx H 1 1.15 0.02 A 40 LYS HGy H 1 1.15 0.02 A 40 LYS C C 13 173.2 0.2 A 40 LYS CA C 13 54.4 0.2 A 40 LYS CB C 13 36.9 0.2 A 40 LYS CD C 13 29.5 0.2 A 40 LYS CE C 13 42.3 0.2 A 40 LYS CG C 13 24.9 0.2 A 40 LYS N N 15 120.1 0.2 A 41 ARG H H 1 9.07 0.02 A 41 ARG HA H 1 4.85 0.02 A 41 ARG HBx H 1 1.45 0.02 A 41 ARG HBy H 1 1.66 0.02 A 41 ARG HDx H 1 3.07 0.02 A 41 ARG HDy H 1 3.13 0.02 A 41 ARG HE H 1 7.24 0.02 A 41 ARG HGx H 1 1.18 0.02 A 41 ARG HGy H 1 1.18 0.02 A 41 ARG C C 13 174.4 0.2 A 41 ARG CA C 13 54.0 0.2 A 41 ARG CB C 13 33.5 0.2 A 41 ARG CD C 13 43.3 0.2 A 41 ARG CG C 13 26.9 0.2 A 41 ARG N N 15 122.3 0.2 A 41 ARG NE N 15 112.4 0.2 A 42 ASP H H 1 8.78 0.02 A 42 ASP HA H 1 4.67 0.02 A 42 ASP HBx H 1 2.21 0.02 A 42 ASP HBy H 1 3.46 0.02 A 42 ASP C C 13 176.9 0.2 A 42 ASP CA C 13 53.4 0.2 A 42 ASP CB C 13 41.3 0.2 A 42 ASP N N 15 127.0 0.2 A 43 LEU H H 1 8.66 0.02 A 43 LEU HA H 1 4.06 0.02 A 43 LEU HBx H 1 1.56 0.02 A 43 LEU HBy H 1 1.77 0.02 A 43 LEU HD1% H 1 0.79 0.02 A 43 LEU HD2% H 1 0.75 0.02 A 43 LEU HG H 1 1.57 0.02 A 43 LEU C C 13 179.0 0.2 A 43 LEU CA C 13 56.7 0.2 A 43 LEU CB C 13 41.4 0.2 A 43 LEU CD1 C 13 25.3 0.2 A 43 LEU CD2 C 13 22.7 0.2 A 43 LEU CG C 13 27.5 0.2 A 43 LEU N N 15 126.1 0.2 A 44 THR H H 1 8.88 0.02 A 44 THR HA H 1 4.10 0.02 A 44 THR HB H 1 4.11 0.02 A 44 THR HG2% H 1 1.19 0.02 A 44 THR C C 13 175.9 0.2 A 44 THR CA C 13 64.9 0.2 A 44 THR CB C 13 69.0 0.2 A 44 THR CG2 C 13 22.0 0.2 A 44 THR N N 15 113.8 0.2 A 45 ASN H H 1 7.20 0.02 A 45 ASN HA H 1 4.75 0.02 A 45 ASN HBx H 1 2.64 0.02 A 45 ASN HBy H 1 2.96 0.02 A 45 ASN HD21 H 1 6.55 0.02 A 45 ASN HD22 H 1 7.33 0.02 A 45 ASN C C 13 176.5 0.2 A 45 ASN CA C 13 52.5 0.2 A 45 ASN CB C 13 39.4 0.2 A 45 ASN CG C 13 175.7 0.2 A 45 ASN N N 15 115.6 0.2 A 45 ASN ND2 N 15 109.7 0.2 A 46 GLY H H 1 8.46 0.02 A 46 GLY HAx H 1 3.61 0.02 A 46 GLY HAy H 1 4.04 0.02 A 46 GLY C C 13 174.3 0.2 A 46 GLY CA C 13 46.2 0.2 A 46 GLY N N 15 110.4 0.2 A 47 LYS H H 1 8.07 0.02 A 47 LYS HA H 1 4.10 0.02 A 47 LYS HBx H 1 1.67 0.02 A 47 LYS HBy H 1 1.67 0.02 A 47 LYS HDx H 1 1.61 0.02 A 47 LYS HDy H 1 1.61 0.02 A 47 LYS HEx H 1 2.88 0.02 A 47 LYS HEy H 1 2.88 0.02 A 47 LYS HGx H 1 1.22 0.02 A 47 LYS HGy H 1 1.22 0.02 A 47 LYS C C 13 175.6 0.2 A 47 LYS CA C 13 57.1 0.2 A 47 LYS CB C 13 33.4 0.2 A 47 LYS CD C 13 29.1 0.2 A 47 LYS CE C 13 42.3 0.2 A 47 LYS CG C 13 25.4 0.2 A 47 LYS N N 15 121.2 0.2 A 48 GLU H H 1 8.38 0.02 A 48 GLU HA H 1 4.34 0.02 A 48 GLU HBx H 1 1.12 0.02 A 48 GLU HBy H 1 1.81 0.02 A 48 GLU HGx H 1 1.73 0.02 A 48 GLU HGy H 1 2.33 0.02 A 48 GLU C C 13 175.5 0.2 A 48 GLU CA C 13 55.3 0.2 A 48 GLU CB C 13 30.6 0.2 A 48 GLU CG C 13 36.7 0.2 A 48 GLU N N 15 122.3 0.2 A 49 ILE H H 1 8.58 0.02 A 49 ILE HA H 1 4.01 0.02 A 49 ILE HB H 1 1.50 0.02 A 49 ILE HD1% H 1 0.68 0.02 A 49 ILE HG1x H 1 0.89 0.02 A 49 ILE HG1y H 1 1.22 0.02 A 49 ILE HG2% H 1 0.73 0.02 A 49 ILE C C 13 175.0 0.2 A 49 ILE CA C 13 60.5 0.2 A 49 ILE CB C 13 39.5 0.2 A 49 ILE CD1 C 13 13.7 0.2 A 49 ILE CG1 C 13 27.1 0.2 A 49 ILE CG2 C 13 17.9 0.2 A 49 ILE N N 15 124.1 0.2 A 50 TRP H H 1 8.47 0.02 A 50 TRP HA H 1 4.69 0.02 A 50 TRP HBx H 1 2.68 0.02 A 50 TRP HBy H 1 2.92 0.02 A 50 TRP HD1 H 1 6.98 0.02 A 50 TRP HE1 H 1 9.93 0.02 A 50 TRP HH2 H 1 6.35 0.02 A 50 TRP HZ2 H 1 7.12 0.02 A 50 TRP HZ3 H 1 6.33 0.02 A 50 TRP C C 13 176.5 0.2 A 50 TRP CA C 13 54.9 0.2 A 50 TRP CB C 13 31.0 0.2 A 50 TRP CD1 C 13 127.4 0.2 A 50 TRP CH2 C 13 123.2 0.2 A 50 TRP CZ2 C 13 114.8 0.2 A 50 TRP CZ3 C 13 120.6 0.2 A 50 TRP N N 15 130.1 0.2 A 50 TRP NE1 N 15 128.9 0.2 A 51 ASP H H 1 8.68 0.02 A 51 ASP HA H 1 4.49 0.02 A 51 ASP HBx H 1 2.75 0.02 A 51 ASP HBy H 1 2.75 0.02 A 51 ASP C C 13 178.3 0.2 A 51 ASP CA C 13 55.5 0.2 A 51 ASP CB C 13 41.2 0.2 A 51 ASP N N 15 123.1 0.2 A 52 SER H H 1 8.77 0.02 A 52 SER HA H 1 4.35 0.02 A 52 SER HBx H 1 4.05 0.02 A 52 SER HBy H 1 4.10 0.02 A 52 SER C C 13 175.6 0.2 A 52 SER CA C 13 60.7 0.2 A 52 SER CB C 13 63.6 0.2 A 52 SER N N 15 124.1 0.2 A 53 LYS H H 1 8.57 0.02 A 53 LYS HA H 1 4.48 0.02 A 53 LYS HBx H 1 1.85 0.02 A 53 LYS HBy H 1 2.00 0.02 A 53 LYS HDx H 1 1.63 0.02 A 53 LYS HDy H 1 1.69 0.02 A 53 LYS HEx H 1 2.94 0.02 A 53 LYS HEy H 1 3.00 0.02 A 53 LYS HGx H 1 1.41 0.02 A 53 LYS HGy H 1 1.48 0.02 A 53 LYS C C 13 176.1 0.2 A 53 LYS CA C 13 55.6 0.2 A 53 LYS CB C 13 32.0 0.2 A 53 LYS CD C 13 29.1 0.2 A 53 LYS CE C 13 42.1 0.2 A 53 LYS CG C 13 25.0 0.2 A 53 LYS N N 15 121.7 0.2 A 54 TRP H H 1 7.42 0.02 A 54 TRP HA H 1 4.40 0.02 A 54 TRP HBx H 1 3.35 0.02 A 54 TRP HBy H 1 3.35 0.02 A 54 TRP HD1 H 1 7.51 0.02 A 54 TRP HE1 H 1 10.20 0.02 A 54 TRP HH2 H 1 6.85 0.02 A 54 TRP HZ2 H 1 7.32 0.02 A 54 TRP C C 13 175.3 0.2 A 54 TRP CA C 13 59.5 0.2 A 54 TRP CB C 13 29.9 0.2 A 54 TRP CD1 C 13 127.5 0.2 A 54 TRP CH2 C 13 123.1 0.2 A 54 TRP CZ2 C 13 114.9 0.2 A 54 TRP N N 15 122.1 0.2 A 54 TRP NE1 N 15 130.4 0.2 A 55 SER H H 1 6.99 0.02 A 55 SER HA H 1 3.85 0.02 A 55 SER HBx H 1 3.43 0.02 A 55 SER HBy H 1 3.49 0.02 A 55 SER C C 13 171.7 0.2 A 55 SER CA C 13 57.9 0.2 A 55 SER CB C 13 64.1 0.2 A 55 SER N N 15 120.6 0.2 A 56 LEU H H 1 8.52 0.02 A 56 LEU HA H 1 4.50 0.02 A 56 LEU HBx H 1 1.26 0.02 A 56 LEU HBy H 1 1.75 0.02 A 56 LEU HD1% H 1 1.08 0.02 A 56 LEU HD2% H 1 1.08 0.02 A 56 LEU HG H 1 1.20 0.02 A 56 LEU C C 13 173.5 0.2 A 56 LEU CA C 13 54.9 0.2 A 56 LEU CB C 13 46.3 0.2 A 56 LEU CD1 C 13 22.8 0.2 A 56 LEU CD2 C 13 22.9 0.2 A 56 LEU CG C 13 26.9 0.2 A 56 LEU N N 15 127.2 0.2 A 57 THR H H 1 8.53 0.02 A 57 THR HA H 1 5.65 0.02 A 57 THR HB H 1 3.67 0.02 A 57 THR HG2% H 1 0.99 0.02 A 57 THR C C 13 174.5 0.2 A 57 THR CA C 13 61.3 0.2 A 57 THR CB C 13 70.8 0.2 A 57 THR CG2 C 13 21.5 0.2 A 57 THR N N 15 124.4 0.2 A 58 GLN H H 1 9.32 0.02 A 58 GLN HA H 1 4.62 0.02 A 58 GLN HE21 H 1 6.45 0.02 A 58 GLN HE22 H 1 8.20 0.02 A 58 GLN HGx H 1 1.98 0.02 A 58 GLN HGy H 1 2.09 0.02 A 58 GLN C C 13 172.8 0.2 A 58 GLN CA C 13 54.6 0.2 A 58 GLN CG C 13 33.5 0.2 A 58 GLN N N 15 124.1 0.2 A 58 GLN NE2 N 15 114.2 0.2 A 59 THR H H 1 8.42 0.02 A 59 THR HA H 1 4.70 0.02 A 59 THR HB H 1 3.70 0.02 A 59 THR HG2% H 1 0.89 0.02 A 59 THR C C 13 174.5 0.2 A 59 THR CA C 13 62.3 0.2 A 59 THR CB C 13 71.8 0.2 A 59 THR CG2 C 13 21.9 0.2 A 59 THR N N 15 116.0 0.2 A 60 PHE H H 1 8.88 0.02 A 60 PHE HA H 1 4.72 0.02 A 60 PHE HBx H 1 2.87 0.02 A 60 PHE HBy H 1 3.13 0.02 A 60 PHE HDx H 1 7.07 0.02 A 60 PHE HDy H 1 7.07 0.02 A 60 PHE HEx H 1 7.16 0.02 A 60 PHE HEy H 1 7.16 0.02 A 60 PHE C C 13 175.4 0.2 A 60 PHE CA C 13 57.9 0.2 A 60 PHE CB C 13 38.5 0.2 A 60 PHE CEx C 13 132.2 0.2 A 60 PHE CEy C 13 132.2 0.2 A 60 PHE N N 15 126.1 0.2 A 61 GLU H H 1 8.71 0.02 A 61 GLU HA H 1 3.99 0.02 A 61 GLU HBx H 1 1.93 0.02 A 61 GLU HBy H 1 2.06 0.02 A 61 GLU HGx H 1 2.33 0.02 A 61 GLU HGy H 1 2.37 0.02 A 61 GLU C C 13 176.4 0.2 A 61 GLU CA C 13 56.2 0.2 A 61 GLU CB C 13 30.2 0.2 A 61 GLU CG C 13 36.1 0.2 A 61 GLU N N 15 125.9 0.2 A 62 ALA H H 1 8.84 0.02 A 62 ALA HA H 1 4.08 0.02 A 62 ALA HB% H 1 1.12 0.02 A 62 ALA C C 13 176.8 0.2 A 62 ALA CA C 13 53.1 0.2 A 62 ALA CB C 13 18.5 0.2 A 62 ALA N N 15 124.2 0.2 A 63 LEU H H 1 8.67 0.02 A 63 LEU HA H 1 4.88 0.02 A 63 LEU HBx H 1 1.18 0.02 A 63 LEU HBy H 1 1.52 0.02 A 63 LEU HD1% H 1 0.34 0.02 A 63 LEU HD2% H 1 0.28 0.02 A 63 LEU HG H 1 1.11 0.02 A 63 LEU CA C 13 51.1 0.2 A 63 LEU CB C 13 44.8 0.2 A 63 LEU CD1 C 13 23.4 0.2 A 63 LEU CD2 C 13 25.2 0.2 A 63 LEU CG C 13 26.2 0.2 A 63 LEU N N 15 125.3 0.2 A 64 PRO HA H 1 4.87 0.02 A 64 PRO HBy H 1 2.23 0.02 A 64 PRO HBx H 1 1.84 0.02 A 64 PRO HDx H 1 3.65 0.02 A 64 PRO HDy H 1 3.71 0.02 A 64 PRO HGx H 1 1.87 0.02 A 64 PRO HGy H 1 2.07 0.02 A 64 PRO C C 13 176.8 0.2 A 64 PRO CA C 13 62.2 0.2 A 64 PRO CB C 13 31.9 0.2 A 64 PRO CD C 13 51.6 0.2 A 64 PRO CG C 13 27.4 0.2 A 65 SER H H 1 8.52 0.02 A 65 SER HA H 1 4.66 0.02 A 65 SER HBx H 1 3.66 0.02 A 65 SER HBy H 1 4.15 0.02 A 65 SER HG H 1 5.46 0.02 A 65 SER CA C 13 56.6 0.2 A 65 SER CB C 13 61.6 0.2 A 65 SER N N 15 123.2 0.2 A 66 PRO HA H 1 4.08 0.02 A 66 PRO HBy H 1 1.74 0.02 A 66 PRO HBx H 1 1.08 0.02 A 66 PRO HDx H 1 3.07 0.02 A 66 PRO HDy H 1 3.13 0.02 A 66 PRO HGx H 1 0.26 0.02 A 66 PRO HGy H 1 0.77 0.02 A 66 PRO C C 13 176.6 0.2 A 66 PRO CA C 13 63.0 0.2 A 66 PRO CB C 13 31.5 0.2 A 66 PRO CD C 13 50.4 0.2 A 66 PRO CG C 13 25.8 0.2 A 67 VAL H H 1 8.76 0.02 A 67 VAL HA H 1 4.08 0.02 A 67 VAL HB H 1 1.91 0.02 A 67 VAL HG1% H 1 0.89 0.02 A 67 VAL HG2% H 1 0.98 0.02 A 67 VAL C C 13 175.6 0.2 A 67 VAL CA C 13 63.1 0.2 A 67 VAL CB C 13 32.3 0.2 A 67 VAL CG1 C 13 21.1 0.2 A 67 VAL CG2 C 13 21.4 0.2 A 67 VAL N N 15 127.1 0.2 A 68 ILE H H 1 9.46 0.02 A 68 ILE HA H 1 4.12 0.02 A 68 ILE HB H 1 1.32 0.02 A 68 ILE HD1% H 1 -0.48 0.02 A 68 ILE HG1x H 1 0.49 0.02 A 68 ILE HG1y H 1 0.74 0.02 A 68 ILE HG2% H 1 0.73 0.02 A 68 ILE C C 13 175.7 0.2 A 68 ILE CA C 13 60.7 0.2 A 68 ILE CB C 13 38.9 0.2 A 68 ILE CD1 C 13 11.6 0.2 A 68 ILE CG1 C 13 27.1 0.2 A 68 ILE CG2 C 13 17.3 0.2 A 68 ILE N N 15 132.8 0.2 A 69 ILE H H 1 8.45 0.02 A 69 ILE HA H 1 3.86 0.02 A 69 ILE HB H 1 1.81 0.02 A 69 ILE HD1% H 1 0.87 0.02 A 69 ILE HG1x H 1 1.30 0.02 A 69 ILE HG1y H 1 1.60 0.02 A 69 ILE HG2% H 1 0.91 0.02 A 69 ILE C C 13 177.5 0.2 A 69 ILE CA C 13 63.3 0.2 A 69 ILE CB C 13 37.1 0.2 A 69 ILE CD1 C 13 12.2 0.2 A 69 ILE CG1 C 13 28.3 0.2 A 69 ILE CG2 C 13 17.2 0.2 A 69 ILE N N 15 128.0 0.2 A 70 GLY H H 1 8.95 0.02 A 70 GLY HAx H 1 3.55 0.02 A 70 GLY HAy H 1 4.24 0.02 A 70 GLY C C 13 173.9 0.2 A 70 GLY CA C 13 45.0 0.2 A 70 GLY N N 15 114.4 0.2 A 71 TYR H H 1 8.53 0.02 A 71 TYR HA H 1 5.15 0.02 A 71 TYR HBx H 1 2.95 0.02 A 71 TYR HBy H 1 2.95 0.02 A 71 TYR HDx H 1 6.94 0.02 A 71 TYR HDy H 1 6.94 0.02 A 71 TYR HEx H 1 6.84 0.02 A 71 TYR HEy H 1 6.84 0.02 A 71 TYR C C 13 175.6 0.2 A 71 TYR CA C 13 57.4 0.2 A 71 TYR CB C 13 43.9 0.2 A 71 TYR CDx C 13 133.1 0.2 A 71 TYR CDy C 13 133.1 0.2 A 71 TYR CEx C 13 118.5 0.2 A 71 TYR CEy C 13 118.5 0.2 A 71 TYR N N 15 120.1 0.2 A 72 THR H H 1 9.28 0.02 A 72 THR HA H 1 4.60 0.02 A 72 THR HB H 1 3.95 0.02 A 72 THR HG2% H 1 1.21 0.02 A 72 THR C C 13 173.4 0.2 A 72 THR CA C 13 61.9 0.2 A 72 THR CB C 13 72.2 0.2 A 72 THR CG2 C 13 21.5 0.2 A 72 THR N N 15 116.2 0.2 A 73 ALA H H 1 8.97 0.02 A 73 ALA HA H 1 3.95 0.02 A 73 ALA HB% H 1 0.66 0.02 A 73 ALA C C 13 177.2 0.2 A 73 ALA CA C 13 50.9 0.2 A 73 ALA CB C 13 18.8 0.2 A 73 ALA N N 15 131.2 0.2 A 74 ASP H H 1 9.06 0.02 A 74 ASP HA H 1 4.14 0.02 A 74 ASP HBx H 1 2.72 0.02 A 74 ASP HBy H 1 2.86 0.02 A 74 ASP C C 13 177.4 0.2 A 74 ASP CA C 13 55.7 0.2 A 74 ASP CB C 13 38.5 0.2 A 74 ASP N N 15 123.0 0.2 A 75 LYS H H 1 7.05 0.02 A 75 LYS HA H 1 4.74 0.02 A 75 LYS HBx H 1 1.55 0.02 A 75 LYS HBy H 1 1.55 0.02 A 75 LYS HDx H 1 1.19 0.02 A 75 LYS HDy H 1 1.34 0.02 A 75 LYS HEx H 1 2.93 0.02 A 75 LYS HEy H 1 2.93 0.02 A 75 LYS HGx H 1 1.56 0.02 A 75 LYS HGy H 1 1.66 0.02 A 75 LYS CA C 13 52.8 0.2 A 75 LYS CB C 13 33.6 0.2 A 75 LYS CD C 13 24.1 0.2 A 75 LYS CE C 13 42.3 0.2 A 75 LYS CG C 13 30.0 0.2 A 75 LYS N N 15 120.1 0.2 A 76 PRO HA H 1 4.10 0.02 A 76 PRO HBy H 1 2.34 0.02 A 76 PRO HBx H 1 1.96 0.02 A 76 PRO HDx H 1 3.42 0.02 A 76 PRO HDy H 1 3.82 0.02 A 76 PRO HGx H 1 1.97 0.02 A 76 PRO HGy H 1 1.97 0.02 A 76 PRO C C 13 176.0 0.2 A 76 PRO CA C 13 64.1 0.2 A 76 PRO CB C 13 32.0 0.2 A 76 PRO CD C 13 50.9 0.2 A 76 PRO CG C 13 27.3 0.2 A 77 MET H H 1 7.57 0.02 A 77 MET HA H 1 4.69 0.02 A 77 MET HBx H 1 1.79 0.02 A 77 MET HBy H 1 1.86 0.02 A 77 MET HE% H 1 1.92 0.02 A 77 MET HGx H 1 1.95 0.02 A 77 MET HGy H 1 2.28 0.02 A 77 MET C C 13 174.2 0.2 A 77 MET CA C 13 54.2 0.2 A 77 MET CB C 13 35.3 0.2 A 77 MET CE C 13 16.9 0.2 A 77 MET CG C 13 31.1 0.2 A 77 MET N N 15 117.1 0.2 A 78 VAL H H 1 7.91 0.02 A 78 VAL HA H 1 3.93 0.02 A 78 VAL HB H 1 1.92 0.02 A 78 VAL HG1% H 1 0.82 0.02 A 78 VAL HG2% H 1 0.70 0.02 A 78 VAL C C 13 175.6 0.2 A 78 VAL CA C 13 62.9 0.2 A 78 VAL CB C 13 32.1 0.2 A 78 VAL CGx C 13 20.5 0.2 A 78 VAL CGy C 13 21.7 0.2 A 78 VAL N N 15 129.3 0.2 A 79 GLY H H 1 8.53 0.02 A 79 GLY HAx H 1 3.77 0.02 A 79 GLY HAy H 1 4.00 0.02 A 79 GLY CA C 13 45.1 0.2 A 79 GLY N N 15 113.7 0.2 A 80 PRO HA H 1 4.70 0.02 A 80 PRO HBy H 1 2.21 0.02 A 80 PRO HBx H 1 1.82 0.02 A 80 PRO HDx H 1 3.55 0.02 A 80 PRO HDy H 1 3.55 0.02 A 80 PRO HGx H 1 1.61 0.02 A 80 PRO HGy H 1 1.69 0.02 A 80 PRO C C 13 176.6 0.2 A 80 PRO CA C 13 62.7 0.2 A 80 PRO CB C 13 32.2 0.2 A 80 PRO CD C 13 50.0 0.2 A 80 PRO CG C 13 29.2 0.2 A 81 ASP H H 1 8.52 0.02 A 81 ASP HA H 1 4.91 0.02 A 81 ASP HBx H 1 2.48 0.02 A 81 ASP HBy H 1 2.85 0.02 A 81 ASP C C 13 174.1 0.2 A 81 ASP CA C 13 53.0 0.2 A 81 ASP CB C 13 44.4 0.2 A 81 ASP N N 15 122.6 0.2 A 82 GLU H H 1 8.55 0.02 A 82 GLU HA H 1 4.39 0.02 A 82 GLU HBx H 1 1.73 0.02 A 82 GLU HBy H 1 1.84 0.02 A 82 GLU HGx H 1 2.03 0.02 A 82 GLU HGy H 1 2.03 0.02 A 82 GLU C C 13 175.1 0.2 A 82 GLU CA C 13 56.9 0.2 A 82 GLU CB C 13 31.5 0.2 A 82 GLU CG C 13 37.0 0.2 A 82 GLU N N 15 126.4 0.2 A 83 VAL H H 1 9.10 0.02 A 83 VAL HA H 1 4.32 0.02 A 83 VAL HB H 1 1.86 0.02 A 83 VAL HG1% H 1 0.56 0.02 A 83 VAL HG2% H 1 0.78 0.02 A 83 VAL C C 13 174.1 0.2 A 83 VAL CA C 13 61.0 0.2 A 83 VAL CB C 13 34.5 0.2 A 83 VAL CG1 C 13 22.0 0.2 A 83 VAL CG2 C 13 21.7 0.2 A 83 VAL N N 15 126.4 0.2 A 84 THR H H 1 8.93 0.02 A 84 THR HA H 1 5.08 0.02 A 84 THR HB H 1 3.67 0.02 A 84 THR HG2% H 1 0.83 0.02 A 84 THR C C 13 173.7 0.2 A 84 THR CA C 13 61.8 0.2 A 84 THR CB C 13 70.9 0.2 A 84 THR CG2 C 13 21.3 0.2 A 84 THR N N 15 124.0 0.2 A 85 VAL H H 1 8.36 0.02 A 85 VAL HA H 1 4.20 0.02 A 85 VAL HB H 1 1.28 0.02 A 85 VAL HG1% H 1 0.77 0.02 A 85 VAL HG2% H 1 -0.59 0.02 A 85 VAL C C 13 172.0 0.2 A 85 VAL CA C 13 60.5 0.2 A 85 VAL CB C 13 33.6 0.2 A 85 VAL CG1 C 13 23.0 0.2 A 85 VAL CG2 C 13 19.4 0.2 A 85 VAL N N 15 130.1 0.2 A 86 ASP H H 1 9.05 0.02 A 86 ASP HA H 1 4.85 0.02 A 86 ASP HBx H 1 2.39 0.02 A 86 ASP HBy H 1 2.42 0.02 A 86 ASP C C 13 176.2 0.2 A 86 ASP CA C 13 51.9 0.2 A 86 ASP CB C 13 43.5 0.2 A 86 ASP N N 15 124.9 0.2 A 87 SER H H 1 7.86 0.02 A 87 SER HA H 1 4.23 0.02 A 87 SER HBx H 1 4.14 0.02 A 87 SER HBy H 1 4.14 0.02 A 87 SER C C 13 176.2 0.2 A 87 SER CA C 13 61.6 0.2 A 87 SER CB C 13 64.2 0.2 A 87 SER N N 15 109.7 0.2 A 88 LYS H H 1 8.39 0.02 A 88 LYS HA H 1 4.28 0.02 A 88 LYS HBx H 1 1.89 0.02 A 88 LYS HBy H 1 1.89 0.02 A 88 LYS HDx H 1 1.68 0.02 A 88 LYS HDy H 1 1.68 0.02 A 88 LYS HEx H 1 2.99 0.02 A 88 LYS HEy H 1 2.99 0.02 A 88 LYS HGx H 1 1.40 0.02 A 88 LYS HGy H 1 1.46 0.02 A 88 LYS C C 13 178.3 0.2 A 88 LYS CA C 13 58.3 0.2 A 88 LYS CB C 13 32.6 0.2 A 88 LYS CD C 13 29.1 0.2 A 88 LYS CE C 13 41.1 0.2 A 88 LYS CG C 13 25.1 0.2 A 88 LYS N N 15 119.5 0.2 A 89 ASN H H 1 8.53 0.02 A 89 ASN HA H 1 4.74 0.02 A 89 ASN HBx H 1 2.69 0.02 A 89 ASN HBy H 1 3.26 0.02 A 89 ASN HD21 H 1 6.25 0.02 A 89 ASN HD22 H 1 7.32 0.02 A 89 ASN C C 13 178.2 0.2 A 89 ASN CA C 13 52.2 0.2 A 89 ASN CB C 13 38.9 0.2 A 89 ASN CG C 13 176.6 0.2 A 89 ASN N N 15 119.0 0.2 A 89 ASN ND2 N 15 107.0 0.2 A 90 PHE H H 1 7.26 0.02 A 90 PHE HA H 1 3.65 0.02 A 90 PHE HBx H 1 2.56 0.02 A 90 PHE HBy H 1 3.30 0.02 A 90 PHE HDx H 1 6.78 0.02 A 90 PHE HDy H 1 6.78 0.02 A 90 PHE HEx H 1 6.81 0.02 A 90 PHE HEy H 1 6.81 0.02 A 90 PHE C C 13 175.0 0.2 A 90 PHE CA C 13 63.7 0.2 A 90 PHE CB C 13 41.0 0.2 A 90 PHE CDx C 13 132.0 0.2 A 90 PHE CDy C 13 132.0 0.2 A 90 PHE CEx C 13 129.9 0.2 A 90 PHE CEy C 13 129.9 0.2 A 90 PHE N N 15 120.9 0.2 A 91 LEU H H 1 7.92 0.02 A 91 LEU HA H 1 3.98 0.02 A 91 LEU HBx H 1 1.61 0.02 A 91 LEU HBy H 1 1.68 0.02 A 91 LEU HD1% H 1 0.93 0.02 A 91 LEU HD2% H 1 0.89 0.02 A 91 LEU HG H 1 1.68 0.02 A 91 LEU C C 13 177.9 0.2 A 91 LEU CA C 13 54.9 0.2 A 91 LEU CB C 13 41.7 0.2 A 91 LEU CD1 C 13 25.5 0.2 A 91 LEU CD2 C 13 22.7 0.2 A 91 LEU CG C 13 27.2 0.2 A 91 LEU N N 15 111.1 0.2 A 92 ASP H H 1 8.11 0.02 A 92 ASP HA H 1 4.40 0.02 A 92 ASP HBx H 1 2.46 0.02 A 92 ASP HBy H 1 2.73 0.02 A 92 ASP C C 13 175.8 0.2 A 92 ASP CA C 13 54.5 0.2 A 92 ASP CB C 13 40.2 0.2 A 92 ASP N N 15 122.4 0.2 A 93 LYS H H 1 8.44 0.02 A 93 LYS HA H 1 4.18 0.02 A 93 LYS HBx H 1 1.80 0.02 A 93 LYS HBy H 1 1.80 0.02 A 93 LYS HDx H 1 1.62 0.02 A 93 LYS HDy H 1 1.62 0.02 A 93 LYS HEx H 1 2.94 0.02 A 93 LYS HEy H 1 2.94 0.02 A 93 LYS HGx H 1 1.46 0.02 A 93 LYS HGy H 1 1.54 0.02 A 93 LYS C C 13 177.3 0.2 A 93 LYS CA C 13 56.3 0.2 A 93 LYS CB C 13 32.1 0.2 A 93 LYS CD C 13 28.3 0.2 A 93 LYS CE C 13 42.3 0.2 A 93 LYS CG C 13 24.9 0.2 A 93 LYS N N 15 122.9 0.2 A 94 GLN H H 1 8.93 0.02 A 94 GLN HA H 1 4.69 0.02 A 94 GLN HBx H 1 1.84 0.02 A 94 GLN HBy H 1 1.84 0.02 A 94 GLN HGx H 1 2.06 0.02 A 94 GLN HGy H 1 2.16 0.02 A 94 GLN C C 13 174.5 0.2 A 94 GLN CA C 13 54.5 0.2 A 94 GLN CB C 13 30.0 0.2 A 94 GLN CG C 13 36.0 0.2 A 94 GLN N N 15 122.6 0.2 A 95 ASN H H 1 7.72 0.02 A 95 ASN HA H 1 4.87 0.02 A 95 ASN HBx H 1 2.65 0.02 A 95 ASN HBy H 1 2.80 0.02 A 95 ASN HD21 H 1 7.29 0.02 A 95 ASN HD22 H 1 7.82 0.02 A 95 ASN C C 13 175.3 0.2 A 95 ASN CA C 13 54.8 0.2 A 95 ASN CB C 13 38.5 0.2 A 95 ASN CG C 13 177.0 0.2 A 95 ASN N N 15 118.0 0.2 A 95 ASN ND2 N 15 114.7 0.2 A 96 ARG H H 1 8.95 0.02 A 96 ARG HA H 1 4.70 0.02 A 96 ARG HBx H 1 1.46 0.02 A 96 ARG HBy H 1 1.95 0.02 A 96 ARG HDx H 1 3.02 0.02 A 96 ARG HDy H 1 3.21 0.02 A 96 ARG HE H 1 8.08 0.02 A 96 ARG HGx H 1 1.57 0.02 A 96 ARG HGy H 1 1.57 0.02 A 96 ARG C C 13 175.8 0.2 A 96 ARG CA C 13 54.0 0.2 A 96 ARG CB C 13 33.5 0.2 A 96 ARG CD C 13 43.4 0.2 A 96 ARG CG C 13 27.5 0.2 A 96 ARG N N 15 120.0 0.2 A 96 ARG NE N 15 115.6 0.2 A 97 GLU H H 1 8.75 0.02 A 97 GLU HA H 1 5.31 0.02 A 97 GLU HBx H 1 1.77 0.02 A 97 GLU HBy H 1 1.90 0.02 A 97 GLU HGx H 1 2.02 0.02 A 97 GLU HGy H 1 2.13 0.02 A 97 GLU C C 13 174.2 0.2 A 97 GLU CA C 13 55.2 0.2 A 97 GLU CB C 13 32.7 0.2 A 97 GLU CG C 13 35.9 0.2 A 97 GLU N N 15 126.0 0.2 A 98 GLU H H 1 8.33 0.02 A 98 GLU HA H 1 4.70 0.02 A 98 GLU HBx H 1 1.74 0.02 A 98 GLU HBy H 1 1.86 0.02 A 98 GLU HGx H 1 1.96 0.02 A 98 GLU HGy H 1 1.96 0.02 A 98 GLU C C 13 174.0 0.2 A 98 GLU CA C 13 54.2 0.2 A 98 GLU CB C 13 33.6 0.2 A 98 GLU CG C 13 35.0 0.2 A 98 GLU N N 15 123.5 0.2 A 99 THR H H 1 8.97 0.02 A 99 THR HA H 1 4.85 0.02 A 99 THR HB H 1 3.82 0.02 A 99 THR HG2% H 1 0.94 0.02 A 99 THR C C 13 172.5 0.2 A 99 THR CA C 13 62.5 0.2 A 99 THR CB C 13 71.3 0.2 A 99 THR CG2 C 13 21.9 0.2 A 99 THR N N 15 118.2 0.2 A 100 VAL H H 1 9.09 0.02 A 100 VAL HA H 1 4.15 0.02 A 100 VAL HB H 1 2.18 0.02 A 100 VAL HG1% H 1 0.73 0.02 A 100 VAL HG2% H 1 0.80 0.02 A 100 VAL C C 13 173.6 0.2 A 100 VAL CA C 13 61.9 0.2 A 100 VAL CB C 13 33.7 0.2 A 100 VAL CG1 C 13 20.9 0.2 A 100 VAL CG2 C 13 21.6 0.2 A 100 VAL N N 15 132.6 0.2 A 101 ILE H H 1 9.13 0.02 A 101 ILE HA H 1 5.07 0.02 A 101 ILE HB H 1 1.59 0.02 A 101 ILE HD1% H 1 0.69 0.02 A 101 ILE HG1x H 1 0.95 0.02 A 101 ILE HG1y H 1 1.40 0.02 A 101 ILE HG2% H 1 0.67 0.02 A 101 ILE C C 13 176.7 0.2 A 101 ILE CA C 13 58.4 0.2 A 101 ILE CB C 13 39.0 0.2 A 101 ILE CD1 C 13 12.5 0.2 A 101 ILE CG1 C 13 27.7 0.2 A 101 ILE CG2 C 13 17.6 0.2 A 101 ILE N N 15 128.7 0.2 A 102 TYR H H 1 9.31 0.02 A 102 TYR HA H 1 4.78 0.02 A 102 TYR HBx H 1 2.40 0.02 A 102 TYR HBy H 1 2.40 0.02 A 102 TYR HDx H 1 6.67 0.02 A 102 TYR HDy H 1 6.67 0.02 A 102 TYR HEx H 1 6.74 0.02 A 102 TYR HEy H 1 6.74 0.02 A 102 TYR C C 13 175.4 0.2 A 102 TYR CA C 13 57.8 0.2 A 102 TYR CB C 13 40.2 0.2 A 102 TYR CDx C 13 132.3 0.2 A 102 TYR CDy C 13 132.3 0.2 A 102 TYR CEx C 13 118.1 0.2 A 102 TYR CEy C 13 118.1 0.2 A 102 TYR N N 15 128.3 0.2 A 103 SER H H 1 8.75 0.02 A 103 SER HA H 1 5.03 0.02 A 103 SER HBx H 1 3.76 0.02 A 103 SER HBy H 1 3.88 0.02 A 103 SER C C 13 178.0 0.2 A 103 SER CA C 13 57.0 0.2 A 103 SER CB C 13 65.4 0.2 A 103 SER N N 15 118.4 0.2 A 104 ALA H H 1 9.22 0.02 A 104 ALA HA H 1 3.63 0.02 A 104 ALA HB% H 1 1.18 0.02 A 104 ALA C C 13 174.0 0.2 A 104 ALA CA C 13 53.0 0.2 A 104 ALA CB C 13 18.6 0.2 A 104 ALA N N 15 128.9 0.2 A 105 ASN H H 1 8.21 0.02 A 105 ASN HA H 1 4.57 0.02 A 105 ASN HBx H 1 2.56 0.02 A 105 ASN HBy H 1 2.71 0.02 A 105 ASN HD21 H 1 6.62 0.02 A 105 ASN HD22 H 1 7.48 0.02 A 105 ASN C C 13 175.8 0.2 A 105 ASN CA C 13 52.9 0.2 A 105 ASN CB C 13 37.8 0.2 A 105 ASN CG C 13 176.7 0.2 A 105 ASN N N 15 121.4 0.2 A 105 ASN ND2 N 15 109.2 0.2 A 106 THR H H 1 8.10 0.02 A 106 THR HA H 1 4.23 0.02 A 106 THR HB H 1 4.12 0.02 A 106 THR HG2% H 1 1.13 0.02 A 106 THR C C 13 174.5 0.2 A 106 THR CA C 13 62.2 0.2 A 106 THR CB C 13 69.8 0.2 A 106 THR CG2 C 13 21.7 0.2 A 106 THR N N 15 114.5 0.2 A 107 ILE H H 1 8.20 0.02 A 107 ILE HA H 1 4.16 0.02 A 107 ILE HB H 1 1.85 0.02 A 107 ILE HD1% H 1 0.82 0.02 A 107 ILE HG1x H 1 1.15 0.02 A 107 ILE HG1y H 1 1.43 0.02 A 107 ILE HG2% H 1 0.86 0.02 A 107 ILE C C 13 176.6 0.2 A 107 ILE CA C 13 61.5 0.2 A 107 ILE CB C 13 38.6 0.2 A 107 ILE CD1 C 13 12.9 0.2 A 107 ILE CG1 C 13 27.4 0.2 A 107 ILE CG2 C 13 17.5 0.2 A 107 ILE N N 15 123.0 0.2 A 108 THR H H 1 8.14 0.02 A 108 THR HA H 1 4.23 0.02 A 108 THR HB H 1 4.14 0.02 A 108 THR HG2% H 1 1.14 0.02 A 108 THR C C 13 174.5 0.2 A 108 THR CA C 13 62.2 0.2 A 108 THR CB C 13 69.7 0.2 A 108 THR CG2 C 13 21.7 0.2 A 108 THR N N 15 118.3 0.2 A 109 GLN H H 1 8.36 0.02 A 109 GLN HA H 1 4.24 0.02 A 109 GLN HBx H 1 1.93 0.02 A 109 GLN HBy H 1 2.04 0.02 A 109 GLN HE21 H 1 6.85 0.02 A 109 GLN HE22 H 1 7.51 0.02 A 109 GLN HGx H 1 2.29 0.02 A 109 GLN HGy H 1 2.29 0.02 A 109 GLN C C 13 175.7 0.2 A 109 GLN CA C 13 56.2 0.2 A 109 GLN CB C 13 29.4 0.2 A 109 GLN CD C 13 180.3 0.2 A 109 GLN CG C 13 33.7 0.2 A 109 GLN N N 15 122.5 0.2 A 109 GLN NE2 N 15 112.6 0.2 A 110 ASN H H 1 8.42 0.02 A 110 ASN HA H 1 4.61 0.02 A 110 ASN HBx H 1 2.71 0.02 A 110 ASN HBy H 1 2.79 0.02 A 110 ASN HD21 H 1 6.92 0.02 A 110 ASN HD22 H 1 7.59 0.02 A 110 ASN C C 13 175.2 0.2 A 110 ASN CA C 13 53.5 0.2 A 110 ASN CB C 13 38.8 0.2 A 110 ASN CG C 13 176.7 0.2 A 110 ASN N N 15 119.8 0.2 A 110 ASN ND2 N 15 112.9 0.2 A 111 LYS H H 1 8.28 0.02 A 111 LYS HA H 1 4.24 0.02 A 111 LYS HBx H 1 1.71 0.02 A 111 LYS HBy H 1 1.79 0.02 A 111 LYS HDx H 1 1.61 0.02 A 111 LYS HDy H 1 1.61 0.02 A 111 LYS HEx H 1 2.95 0.02 A 111 LYS HEy H 1 2.95 0.02 A 111 LYS HGx H 1 1.33 0.02 A 111 LYS HGy H 1 1.38 0.02 A 111 LYS C C 13 176.8 0.2 A 111 LYS CA C 13 56.7 0.2 A 111 LYS CB C 13 32.9 0.2 A 111 LYS CD C 13 29.1 0.2 A 111 LYS CG C 13 24.7 0.2 A 111 LYS N N 15 122.0 0.2 A 112 LYS H H 1 8.36 0.02 A 112 LYS HA H 1 4.24 0.02 A 112 LYS HBx H 1 1.71 0.02 A 112 LYS HBy H 1 1.79 0.02 A 112 LYS HDx H 1 1.61 0.02 A 112 LYS HDy H 1 1.61 0.02 A 112 LYS HEx H 1 2.95 0.02 A 112 LYS HEy H 1 2.95 0.02 A 112 LYS HGx H 1 1.33 0.02 A 112 LYS HGy H 1 1.38 0.02 A 112 LYS C C 13 176.5 0.2 A 112 LYS CA C 13 56.7 0.2 A 112 LYS CB C 13 32.9 0.2 A 112 LYS CD C 13 29.1 0.2 A 112 LYS CG C 13 24.7 0.2 A 112 LYS N N 15 122.4 0.2 A 113 ASP H H 1 8.27 0.02 A 113 ASP HA H 1 4.54 0.02 A 113 ASP HBx H 1 2.65 0.02 A 113 ASP HBy H 1 2.65 0.02 A 113 ASP C C 13 176.7 0.2 A 113 ASP CA C 13 54.6 0.2 A 113 ASP CB C 13 41.3 0.2 A 113 ASP N N 15 120.8 0.2 A 114 GLY H H 1 8.32 0.02 A 114 GLY HAx H 1 3.91 0.02 A 114 GLY HAy H 1 3.91 0.02 A 114 GLY C C 13 174.4 0.2 A 114 GLY CA C 13 45.6 0.2 A 114 GLY N N 15 109.0 0.2 A 115 LEU H H 1 8.08 0.02 A 115 LEU HA H 1 4.24 0.02 A 115 LEU HBx H 1 1.45 0.02 A 115 LEU HBy H 1 1.57 0.02 A 115 LEU HD1% H 1 0.85 0.02 A 115 LEU HD2% H 1 0.79 0.02 A 115 LEU HG H 1 1.50 0.02 A 115 LEU C C 13 177.5 0.2 A 115 LEU CA C 13 55.3 0.2 A 115 LEU CB C 13 42.3 0.2 A 115 LEU CD1 C 13 25.1 0.2 A 115 LEU CD2 C 13 23.3 0.2 A 115 LEU CG C 13 27.0 0.2 A 115 LEU N N 15 121.2 0.2 A 116 GLU H H 1 8.41 0.02 A 116 GLU HA H 1 4.11 0.02 A 116 GLU HBy H 1 1.84 0.02 A 116 GLU HBx H 1 1.80 0.02 A 116 GLU HGx H 1 2.06 0.02 A 116 GLU HGy H 1 2.16 0.02 A 116 GLU C C 13 176.3 0.2 A 116 GLU CA C 13 56.8 0.2 A 116 GLU CB C 13 30.2 0.2 A 116 GLU CG C 13 36.1 0.2 A 116 GLU N N 15 120.7 0.2 A 117 HIS H H 1 8.26 0.02 A 117 HIS HA H 1 4.53 0.02 A 117 HIS HBx H 1 3.08 0.02 A 117 HIS HBy H 1 3.08 0.02 A 117 HIS C C 13 173.8 0.2 A 117 HIS CA C 13 55.9 0.2 A 117 HIS CB C 13 30.1 0.2 A 117 HIS N N 15 119.6 0.2 A 118 HIS H H 1 8.15 0.02 A 118 HIS N N 15 125.3 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 1 MET HA A 2 ILE HA 1.0 1.8 5.0 2 2 A 1 MET HA A 2 ILE HB 1.0 1.8 5.0 3 3 A 1 MET HA A 2 ILE HD1% 1.0 1.8 5.0 4 4 A 1 MET HA A 2 ILE HG1x 1.0 1.8 5.0 5 5 A 2 ILE HG1x A 1 MET HBx 1.0 1.8 6.0 6 5 A 2 ILE HG1x A 1 MET HBy 1.0 1.8 6.0 7 6 A 43 LEU HBy A 1 MET HBx 1.0 1.8 5.0 8 6 A 1 MET HBy A 43 LEU HBy 1.0 1.8 5.0 9 7 A 43 LEU HBx A 1 MET HBx 1.0 1.8 5.0 10 7 A 1 MET HBy A 43 LEU HBx 1.0 1.8 5.0 11 8 A 43 LEU HD1% A 1 MET HBx 1.0 1.8 3.5 12 8 A 1 MET HBy A 43 LEU HD1% 1.0 1.8 3.5 13 9 A 43 LEU HG A 1 MET HBx 1.0 1.8 5.0 14 9 A 1 MET HBy A 43 LEU HG 1.0 1.8 5.0 15 10 A 44 THR HG2% A 1 MET HBx 1.0 1.8 5.0 16 10 A 1 MET HBy A 44 THR HG2% 1.0 1.8 5.0 17 11 A 2 ILE HA A 1 MET HGx 1.0 1.8 5.0 18 11 A 2 ILE HA A 1 MET HGy 1.0 1.8 5.0 19 12 A 3 GLU HA A 1 MET HGx 1.0 1.8 5.0 20 12 A 1 MET HGy A 3 GLU HA 1.0 1.8 5.0 21 13 A 43 LEU HD1% A 1 MET HGx 1.0 1.8 3.5 22 13 A 43 LEU HD1% A 1 MET HGy 1.0 1.8 3.5 23 14 A 43 LEU HD2% A 1 MET HGx 1.0 1.8 5.0 24 14 A 1 MET HGy A 43 LEU HD2% 1.0 1.8 5.0 25 15 A 2 ILE HA A 2 ILE HD1% 1.0 1.8 3.5 26 16 A 2 ILE HA A 2 ILE HG2% 1.0 1.8 3.5 27 17 A 2 ILE HA A 3 GLU HBx 1.0 1.8 5.0 28 17 A 2 ILE HA A 3 GLU HBy 1.0 1.8 5.0 29 18 A 2 ILE HA A 3 GLU HGx 1.0 1.8 5.0 30 18 A 2 ILE HA A 3 GLU HGy 1.0 1.8 5.0 31 19 A 2 ILE HA A 3 GLU H 1.0 1.8 2.7 32 20 A 2 ILE HA A 41 ARG H 1.0 1.8 5.0 33 21 A 2 ILE HA A 42 ASP HA 1.0 1.8 5.0 34 22 A 2 ILE HA A 43 LEU HD2% 1.0 1.8 5.0 35 23 A 2 ILE HA A 43 LEU HG 1.0 1.8 5.0 36 24 A 2 ILE HA A 43 LEU H 1.0 1.8 5.0 37 25 A 2 ILE HA A 44 THR HG2% 1.0 1.8 6.0 38 26 A 2 ILE HB A 2 ILE HD1% 1.0 1.8 3.5 39 27 A 2 ILE HB A 3 GLU H 1.0 1.8 5.0 40 28 A 2 ILE HB A 40 LYS HBx 1.0 1.8 5.0 41 29 A 2 ILE HD1% A 3 GLU H 1.0 1.8 5.0 42 30 A 2 ILE HD1% A 40 LYS HDx 1.0 1.8 5.0 43 31 A 2 ILE HD1% A 40 LYS HEx 1.0 1.8 3.5 44 31 A 2 ILE HD1% A 40 LYS HEy 1.0 1.8 3.5 45 32 A 2 ILE HD1% A 42 ASP HA 1.0 1.8 3.5 46 33 A 2 ILE HD1% A 42 ASP HBy 1.0 1.8 5.0 47 34 A 2 ILE HD1% A 42 ASP HBx 1.0 1.8 5.0 48 35 A 2 ILE HD1% A 42 ASP H 1.0 1.8 5.0 49 36 A 2 ILE HD1% A 43 LEU H 1.0 1.8 5.0 50 37 A 3 GLU H A 2 ILE HG1y 1.0 1.8 6.0 51 38 A 2 ILE HG1x A 42 ASP HA 1.0 1.8 5.0 52 39 A 2 ILE HG1x A 43 LEU H 1.0 1.8 5.0 53 40 A 2 ILE HG2% A 2 ILE HG1y 1.0 1.8 2.7 54 41 A 2 ILE HG1x A 2 ILE HG2% 1.0 1.8 3.5 55 42 A 3 GLU HA A 2 ILE HG2% 1.0 1.8 5.0 56 43 A 2 ILE HG2% A 3 GLU HBx 1.0 1.8 5.0 57 43 A 2 ILE HG2% A 3 GLU HBy 1.0 1.8 5.0 58 44 A 2 ILE HG2% A 3 GLU HGx 1.0 1.8 5.0 59 44 A 2 ILE HG2% A 3 GLU HGy 1.0 1.8 5.0 60 45 A 2 ILE HG2% A 3 GLU H 1.0 1.8 3.5 61 46 A 2 ILE HG2% A 4 PRO HA 1.0 1.8 5.0 62 47 A 2 ILE HG2% A 4 PRO HDx 1.0 1.8 5.0 63 47 A 2 ILE HG2% A 4 PRO HDy 1.0 1.8 5.0 64 48 A 2 ILE HG2% A 40 LYS HBy 1.0 1.8 5.0 65 49 A 2 ILE HG2% A 40 LYS HBx 1.0 1.8 3.5 66 50 A 2 ILE HG2% A 40 LYS HDy 1.0 1.8 3.5 67 51 A 2 ILE HG2% A 40 LYS HDx 1.0 1.8 5.0 68 52 A 2 ILE HG2% A 40 LYS HEx 1.0 1.8 5.0 69 52 A 2 ILE HG2% A 40 LYS HEy 1.0 1.8 5.0 70 53 A 2 ILE HG2% A 40 LYS HGx 1.0 1.8 5.0 71 53 A 2 ILE HG2% A 40 LYS HGy 1.0 1.8 5.0 72 54 A 2 ILE HG2% A 41 ARG H 1.0 1.8 3.5 73 55 A 2 ILE HG2% A 42 ASP HA 1.0 1.8 5.0 74 56 A 2 ILE HD1% A 2 ILE H 1.0 1.8 6.0 75 57 A 2 ILE HG1y A 2 ILE H 1.0 1.8 6.0 76 58 A 2 ILE HG1x A 2 ILE H 1.0 1.8 5.0 77 59 A 3 GLU H A 2 ILE H 1.0 1.8 5.0 78 60 A 43 LEU H A 2 ILE H 1.0 1.8 5.0 79 61 A 3 GLU HA A 3 GLU HGx 1.0 1.8 3.5 80 61 A 3 GLU HA A 3 GLU HGy 1.0 1.8 3.5 81 62 A 3 GLU HA A 4 PRO HDx 1.0 1.8 3.5 82 62 A 3 GLU HA A 4 PRO HDy 1.0 1.8 3.5 83 63 A 3 GLU HA A 4 PRO HGy 1.0 1.8 5.0 84 64 A 3 GLU HA A 4 PRO HGx 1.0 1.8 5.0 85 65 A 43 LEU HD1% A 3 GLU HA 1.0 1.8 5.0 86 66 A 3 GLU HBy A 4 PRO HDx 1.0 1.8 3.5 87 66 A 3 GLU HBx A 4 PRO HDx 1.0 1.8 3.5 88 66 A 4 PRO HDy A 3 GLU HBx 1.0 1.8 3.5 89 66 A 3 GLU HBy A 4 PRO HDy 1.0 1.8 3.5 90 67 A 41 ARG HDx A 3 GLU HBx 1.0 1.8 5.0 91 67 A 3 GLU HBy A 41 ARG HDx 1.0 1.8 5.0 92 68 A 41 ARG HE A 3 GLU HBx 1.0 1.8 6.0 93 68 A 3 GLU HBy A 41 ARG HE 1.0 1.8 6.0 94 69 A 41 ARG H A 3 GLU HBx 1.0 1.8 5.0 95 69 A 3 GLU HBy A 41 ARG H 1.0 1.8 5.0 96 70 A 43 LEU HD1% A 3 GLU HBx 1.0 1.8 3.5 97 70 A 43 LEU HD1% A 3 GLU HBy 1.0 1.8 3.5 98 71 A 43 LEU HD2% A 3 GLU HBx 1.0 1.8 3.5 99 71 A 43 LEU HD2% A 3 GLU HBy 1.0 1.8 3.5 100 72 A 3 GLU HGx A 4 PRO HDx 1.0 1.8 5.0 101 72 A 3 GLU HGy A 4 PRO HDx 1.0 1.8 5.0 102 72 A 4 PRO HDy A 3 GLU HGx 1.0 1.8 5.0 103 72 A 3 GLU HGy A 4 PRO HDy 1.0 1.8 5.0 104 73 A 5 ILE HD1% A 3 GLU HGx 1.0 1.8 5.0 105 73 A 3 GLU HGy A 5 ILE HD1% 1.0 1.8 5.0 106 74 A 5 ILE HG2% A 3 GLU HGx 1.0 1.8 3.5 107 74 A 3 GLU HGy A 5 ILE HG2% 1.0 1.8 3.5 108 75 A 5 ILE H A 3 GLU HGx 1.0 1.8 5.0 109 75 A 3 GLU HGy A 5 ILE H 1.0 1.8 5.0 110 76 A 41 ARG HBy A 3 GLU HGx 1.0 1.8 5.0 111 76 A 3 GLU HGy A 41 ARG HBy 1.0 1.8 5.0 112 77 A 41 ARG HBx A 3 GLU HGx 1.0 1.8 5.0 113 77 A 3 GLU HGy A 41 ARG HBx 1.0 1.8 5.0 114 78 A 41 ARG HDy A 3 GLU HGx 1.0 1.8 5.0 115 78 A 3 GLU HGy A 41 ARG HDy 1.0 1.8 5.0 116 79 A 41 ARG HDx A 3 GLU HGx 1.0 1.8 5.0 117 79 A 3 GLU HGy A 41 ARG HDx 1.0 1.8 5.0 118 80 A 41 ARG HE A 3 GLU HGx 1.0 1.8 5.0 119 80 A 3 GLU HGy A 41 ARG HE 1.0 1.8 5.0 120 81 A 41 ARG H A 3 GLU HGx 1.0 1.8 5.0 121 81 A 3 GLU HGy A 41 ARG H 1.0 1.8 5.0 122 82 A 43 LEU HD1% A 3 GLU HGx 1.0 1.8 5.0 123 82 A 43 LEU HD1% A 3 GLU HGy 1.0 1.8 5.0 124 83 A 43 LEU HD2% A 3 GLU HGx 1.0 1.8 3.5 125 83 A 43 LEU HD2% A 3 GLU HGy 1.0 1.8 3.5 126 84 A 3 GLU H A 3 GLU HBx 1.0 1.8 3.5 127 84 A 3 GLU HBy A 3 GLU H 1.0 1.8 3.5 128 85 A 3 GLU H A 3 GLU HGx 1.0 1.8 3.5 129 85 A 3 GLU HGy A 3 GLU H 1.0 1.8 3.5 130 86 A 3 GLU H A 4 PRO HDx 1.0 1.8 5.0 131 86 A 3 GLU H A 4 PRO HDy 1.0 1.8 5.0 132 87 A 3 GLU H A 41 ARG HBy 1.0 1.8 5.0 133 88 A 3 GLU H A 41 ARG HBx 1.0 1.8 6.0 134 89 A 3 GLU H A 41 ARG H 1.0 1.8 3.5 135 90 A 3 GLU H A 42 ASP HA 1.0 1.8 5.0 136 91 A 3 GLU H A 42 ASP H 1.0 1.8 6.0 137 92 A 3 GLU H A 43 LEU HA 1.0 1.8 6.0 138 93 A 43 LEU HD1% A 3 GLU H 1.0 1.8 5.0 139 94 A 43 LEU HG A 3 GLU H 1.0 1.8 5.0 140 95 A 3 GLU H A 43 LEU H 1.0 1.8 5.0 141 96 A 4 PRO HA A 5 ILE HG2% 1.0 1.8 5.0 142 97 A 4 PRO HA A 5 ILE H 1.0 1.8 3.5 143 98 A 4 PRO HA A 39 GLY H 1.0 1.8 6.0 144 99 A 41 ARG H A 4 PRO HA 1.0 1.8 5.0 145 100 A 5 ILE H A 4 PRO HBx 1.0 1.8 5.0 146 101 A 4 PRO HBy A 5 ILE HA 1.0 1.8 5.0 147 102 A 5 ILE H A 4 PRO HBy 1.0 1.8 5.0 148 103 A 5 ILE H A 4 PRO HDx 1.0 1.8 6.0 149 103 A 4 PRO HDy A 5 ILE H 1.0 1.8 6.0 150 104 A 5 ILE HD1% A 5 ILE HA 1.0 1.8 5.0 151 105 A 5 ILE HG2% A 5 ILE HA 1.0 1.8 3.5 152 106 A 5 ILE HA A 6 LYS HA 1.0 1.8 5.0 153 107 A 5 ILE HA A 6 LYS HDx 1.0 1.8 5.0 154 108 A 5 ILE HA A 6 LYS H 1.0 1.8 3.5 155 109 A 39 GLY H A 5 ILE HA 1.0 1.8 6.0 156 110 A 5 ILE HD1% A 5 ILE HB 1.0 1.8 3.5 157 111 A 6 LYS H A 5 ILE HB 1.0 1.8 3.5 158 112 A 5 ILE HB A 40 LYS H 1.0 1.8 6.0 159 113 A 5 ILE HD1% A 6 LYS HA 1.0 1.8 5.0 160 114 A 5 ILE HD1% A 6 LYS H 1.0 1.8 5.0 161 115 A 5 ILE HD1% A 39 GLY HAy 1.0 1.8 5.0 162 116 A 5 ILE HD1% A 39 GLY H 1.0 1.8 5.0 163 117 A 5 ILE HD1% A 40 LYS H 1.0 1.8 5.0 164 118 A 5 ILE HD1% A 41 ARG HA 1.0 1.8 5.0 165 119 A 5 ILE HD1% A 41 ARG HBy 1.0 1.8 5.0 166 120 A 5 ILE HD1% A 41 ARG HBx 1.0 1.8 5.0 167 121 A 5 ILE HD1% A 41 ARG HDy 1.0 1.8 6.0 168 122 A 41 ARG HDx A 5 ILE HD1% 1.0 1.8 6.0 169 123 A 41 ARG HE A 5 ILE HD1% 1.0 1.8 5.0 170 124 A 5 ILE HD1% A 41 ARG HGx 1.0 1.8 6.0 171 124 A 5 ILE HD1% A 41 ARG HGy 1.0 1.8 6.0 172 125 A 41 ARG H A 5 ILE HD1% 1.0 1.8 5.0 173 126 A 42 ASP H A 5 ILE HD1% 1.0 1.8 5.0 174 127 A 5 ILE HD1% A 48 GLU HA 1.0 1.8 5.0 175 128 A 5 ILE HD1% A 48 GLU HBy 1.0 1.8 5.0 176 129 A 5 ILE HD1% A 48 GLU HBx 1.0 1.8 5.0 177 130 A 5 ILE HD1% A 48 GLU HGy 1.0 1.8 3.5 178 131 A 5 ILE HD1% A 48 GLU HGx 1.0 1.8 5.0 179 132 A 5 ILE HD1% A 49 ILE H 1.0 1.8 5.0 180 133 A 5 ILE HD1% A 50 TRP HE1 1.0 1.8 5.0 181 134 A 5 ILE HD1% A 50 TRP HH2 1.0 1.8 5.0 182 135 A 5 ILE HD1% A 50 TRP HZ2 1.0 1.8 5.0 183 136 A 5 ILE HD1% A 50 TRP HZ3 1.0 1.8 5.0 184 137 A 6 LYS H A 5 ILE HG1x 1.0 1.8 5.0 185 138 A 39 GLY H A 5 ILE HG1x 1.0 1.8 5.0 186 139 A 40 LYS H A 5 ILE HG1x 1.0 1.8 5.0 187 140 A 41 ARG H A 5 ILE HG1x 1.0 1.8 5.0 188 141 A 41 ARG HBy A 5 ILE HG1y 1.0 1.8 6.0 189 142 A 5 ILE HD1% A 5 ILE HG2% 1.0 1.8 3.5 190 143 A 5 ILE HG2% A 5 ILE HG1y 1.0 1.8 5.0 191 144 A 5 ILE HG2% A 6 LYS H 1.0 1.8 3.5 192 145 A 5 ILE HG2% A 41 ARG HBy 1.0 1.8 5.0 193 146 A 5 ILE HG2% A 41 ARG HDy 1.0 1.8 5.0 194 147 A 41 ARG HDx A 5 ILE HG2% 1.0 1.8 5.0 195 148 A 41 ARG HE A 5 ILE HG2% 1.0 1.8 5.0 196 149 A 5 ILE HG2% A 41 ARG HGx 1.0 1.8 3.5 197 149 A 5 ILE HG2% A 41 ARG HGy 1.0 1.8 3.5 198 150 A 5 ILE HG2% A 48 GLU HGy 1.0 1.8 5.0 199 151 A 5 ILE HG2% A 48 GLU HGx 1.0 1.8 5.0 200 152 A 5 ILE HG2% A 50 TRP HH2 1.0 1.8 5.0 201 153 A 5 ILE HD1% A 5 ILE H 1.0 1.8 5.0 202 154 A 5 ILE H A 5 ILE HG1x 1.0 1.8 5.0 203 155 A 5 ILE H A 5 ILE HG1y 1.0 1.8 6.0 204 156 A 5 ILE H A 6 LYS HBy 1.0 1.8 6.0 205 157 A 5 ILE H A 6 LYS H 1.0 1.8 5.0 206 158 A 5 ILE H A 38 SER HA 1.0 1.8 6.0 207 159 A 5 ILE H A 39 GLY HAx 1.0 1.8 6.0 208 160 A 5 ILE H A 39 GLY H 1.0 1.8 5.0 209 161 A 5 ILE H A 40 LYS HA 1.0 1.8 5.0 210 162 A 40 LYS HBy A 5 ILE H 1.0 1.8 5.0 211 163 A 5 ILE H A 40 LYS H 1.0 1.8 5.0 212 164 A 5 ILE H A 41 ARG HBx 1.0 1.8 6.0 213 165 A 41 ARG H A 5 ILE H 1.0 1.8 5.0 214 166 A 6 LYS HA A 6 LYS HDy 1.0 1.8 6.0 215 167 A 6 LYS HA A 6 LYS HDx 1.0 1.8 5.0 216 168 A 6 LYS HA A 6 LYS HEy 1.0 1.8 5.0 217 168 A 6 LYS HA A 6 LYS HEx 1.0 1.8 5.0 218 169 A 6 LYS HA A 7 ARG HA 1.0 1.8 5.0 219 170 A 6 LYS HA A 7 ARG H 1.0 1.8 3.5 220 171 A 6 LYS HA A 36 THR HG2% 1.0 1.8 5.0 221 172 A 6 LYS HA A 38 SER HA 1.0 1.8 5.0 222 173 A 6 LYS HA A 38 SER HBx 1.0 1.8 5.0 223 173 A 6 LYS HA A 38 SER HBy 1.0 1.8 5.0 224 174 A 39 GLY H A 6 LYS HA 1.0 1.8 5.0 225 175 A 6 LYS HA A 50 TRP HH2 1.0 1.8 6.0 226 176 A 6 LYS HA A 50 TRP HZ3 1.0 1.8 5.0 227 177 A 6 LYS HBy A 6 LYS HEy 1.0 1.8 5.0 228 177 A 6 LYS HBy A 6 LYS HEx 1.0 1.8 5.0 229 178 A 6 LYS HBy A 7 ARG H 1.0 1.8 5.0 230 179 A 6 LYS HBy A 36 THR HG2% 1.0 1.8 5.0 231 180 A 6 LYS HBy A 38 SER HA 1.0 1.8 5.0 232 181 A 39 GLY H A 6 LYS HBy 1.0 1.8 6.0 233 182 A 6 LYS HBx A 6 LYS HEy 1.0 1.8 5.0 234 182 A 6 LYS HEx A 6 LYS HBx 1.0 1.8 5.0 235 183 A 7 ARG HA A 6 LYS HBx 1.0 1.8 6.0 236 184 A 7 ARG H A 6 LYS HBx 1.0 1.8 5.0 237 185 A 36 THR HG2% A 6 LYS HBx 1.0 1.8 3.5 238 186 A 38 SER HA A 6 LYS HBx 1.0 1.8 5.0 239 187 A 6 LYS HBx A 38 SER HBx 1.0 1.8 5.0 240 187 A 38 SER HBy A 6 LYS HBx 1.0 1.8 5.0 241 188 A 39 GLY H A 6 LYS HBx 1.0 1.8 5.0 242 189 A 6 LYS HDy A 36 THR HG2% 1.0 1.8 5.0 243 190 A 6 LYS HDx A 6 LYS HEy 1.0 1.8 2.7 244 190 A 6 LYS HDx A 6 LYS HEx 1.0 1.8 2.7 245 191 A 6 LYS HDx A 7 ARG H 1.0 1.8 6.0 246 192 A 6 LYS HDx A 38 SER HBx 1.0 1.8 6.0 247 192 A 6 LYS HDx A 38 SER HBy 1.0 1.8 6.0 248 193 A 36 THR HG2% A 6 LYS HEy 1.0 1.8 5.0 249 193 A 6 LYS HEx A 36 THR HG2% 1.0 1.8 5.0 250 194 A 6 LYS HEy A 38 SER HBx 1.0 1.8 5.0 251 194 A 6 LYS HEx A 38 SER HBx 1.0 1.8 5.0 252 194 A 38 SER HBy A 6 LYS HEy 1.0 1.8 5.0 253 194 A 6 LYS HEx A 38 SER HBy 1.0 1.8 5.0 254 195 A 6 LYS HGy A 6 LYS HEy 1.0 1.8 3.5 255 195 A 6 LYS HEx A 6 LYS HGy 1.0 1.8 3.5 256 196 A 7 ARG H A 6 LYS HGy 1.0 1.8 5.0 257 197 A 6 LYS HGy A 36 THR HA 1.0 1.8 5.0 258 198 A 38 SER HA A 6 LYS HGy 1.0 1.8 5.0 259 199 A 6 LYS HGy A 38 SER HBx 1.0 1.8 6.0 260 199 A 38 SER HBy A 6 LYS HGy 1.0 1.8 6.0 261 200 A 6 LYS HGx A 6 LYS HEy 1.0 1.8 5.0 262 200 A 6 LYS HEx A 6 LYS HGx 1.0 1.8 5.0 263 201 A 7 ARG H A 6 LYS HGx 1.0 1.8 5.0 264 202 A 38 SER HA A 6 LYS HGx 1.0 1.8 5.0 265 203 A 50 TRP HH2 A 6 LYS HGx 1.0 1.8 6.0 266 204 A 6 LYS HDx A 6 LYS H 1.0 1.8 3.5 267 205 A 6 LYS H A 6 LYS HEy 1.0 1.8 5.0 268 205 A 6 LYS H A 6 LYS HEx 1.0 1.8 5.0 269 206 A 6 LYS H A 6 LYS HEy 1.0 1.8 6.0 270 207 A 6 LYS H A 6 LYS HEx 1.0 1.8 6.0 271 208 A 6 LYS H A 6 LYS HGy 1.0 1.8 5.0 272 209 A 6 LYS H A 6 LYS HGx 1.0 1.8 5.0 273 210 A 6 LYS H A 36 THR HG2% 1.0 1.8 6.0 274 211 A 6 LYS H A 38 SER HA 1.0 1.8 5.0 275 212 A 6 LYS H A 50 TRP HH2 1.0 1.8 5.0 276 213 A 7 ARG HA A 8 THR HA 1.0 1.8 5.0 277 214 A 7 ARG HA A 8 THR H 1.0 1.8 3.5 278 215 A 7 ARG HBy A 9 GLN HBx 1.0 1.8 5.0 279 216 A 7 ARG HBy A 90 PHE HE% 1.0 1.8 5.0 280 217 A 7 ARG HBx A 7 ARG HE 1.0 1.8 5.0 281 218 A 90 PHE HE% A 7 ARG HE 1.0 1.8 5.0 282 219 A 7 ARG H A 8 THR H 1.0 1.8 6.0 283 220 A 7 ARG H A 36 THR HG2% 1.0 1.8 5.0 284 221 A 7 ARG H A 37 GLN HBy 1.0 1.8 5.0 285 221 A 7 ARG H A 37 GLN HBx 1.0 1.8 5.0 286 222 A 7 ARG H A 37 GLN HGy 1.0 1.8 6.0 287 222 A 7 ARG H A 37 GLN HGx 1.0 1.8 6.0 288 223 A 38 SER HA A 7 ARG H 1.0 1.8 5.0 289 224 A 39 GLY H A 7 ARG H 1.0 1.8 6.0 290 225 A 7 ARG H A 50 TRP HE3 1.0 1.8 6.0 291 226 A 50 TRP HH2 A 7 ARG H 1.0 1.8 5.0 292 227 A 50 TRP HZ3 A 7 ARG H 1.0 1.8 5.0 293 228 A 7 ARG H A 90 PHE HE% 1.0 1.8 6.0 294 229 A 8 THR HA A 8 THR HG2% 1.0 1.8 3.5 295 230 A 8 THR HA A 9 GLN HA 1.0 1.8 6.0 296 231 A 8 THR HA A 9 GLN HBx 1.0 1.8 6.0 297 232 A 8 THR HA A 9 GLN H 1.0 1.8 3.5 298 233 A 8 THR HA A 35 PHE H 1.0 1.8 5.0 299 234 A 36 THR HA A 8 THR HA 1.0 1.8 5.0 300 235 A 8 THR HA A 36 THR HB 1.0 1.8 6.0 301 236 A 36 THR HG2% A 8 THR HA 1.0 1.8 5.0 302 237 A 8 THR HA A 37 GLN H 1.0 1.8 5.0 303 238 A 8 THR HA A 90 PHE HE% 1.0 1.8 5.0 304 239 A 9 GLN H A 8 THR HB 1.0 1.8 5.0 305 240 A 8 THR HB A 10 VAL HG1% 1.0 1.8 5.0 306 241 A 8 THR HB A 34 ILE HG2% 1.0 1.8 5.0 307 242 A 8 THR HG2% A 9 GLN H 1.0 1.8 3.5 308 243 A 8 THR HG2% A 10 VAL H 1.0 1.8 5.0 309 244 A 8 THR HG2% A 34 ILE HG1y 1.0 1.8 5.0 310 245 A 8 THR HG2% A 34 ILE HG1x 1.0 1.8 5.0 311 246 A 8 THR HG2% A 34 ILE HG2% 1.0 1.8 2.7 312 247 A 8 THR HG2% A 35 PHE HBy 1.0 1.8 6.0 313 247 A 8 THR HG2% A 35 PHE HBx 1.0 1.8 6.0 314 248 A 8 THR HG2% A 35 PHE H 1.0 1.8 5.0 315 249 A 36 THR HA A 8 THR HG2% 1.0 1.8 5.0 316 250 A 8 THR H A 8 THR HB 1.0 1.8 3.5 317 251 A 8 THR H A 8 THR HG2% 1.0 1.8 5.0 318 252 A 8 THR H A 9 GLN H 1.0 1.8 5.0 319 253 A 8 THR H A 37 GLN H 1.0 1.8 6.0 320 254 A 8 THR H A 90 PHE HE% 1.0 1.8 5.0 321 255 A 9 GLN HA A 10 VAL H 1.0 1.8 3.5 322 256 A 10 VAL H A 9 GLN HBy 1.0 1.8 5.0 323 257 A 9 GLN HBy A 35 PHE HBy 1.0 1.8 6.0 324 257 A 35 PHE HBx A 9 GLN HBy 1.0 1.8 6.0 325 258 A 9 GLN HBy A 35 PHE HD% 1.0 1.8 5.0 326 259 A 35 PHE H A 9 GLN HBy 1.0 1.8 5.0 327 260 A 9 GLN HBx A 90 PHE HD% 1.0 1.8 5.0 328 261 A 9 GLN HBx A 90 PHE HE% 1.0 1.8 5.0 329 262 A 90 PHE HD% A 9 GLN HE21 1.0 1.8 5.0 330 262 A 90 PHE HD% A 9 GLN HE22 1.0 1.8 5.0 331 263 A 91 LEU HA A 9 GLN HE21 1.0 1.8 5.0 332 263 A 91 LEU HA A 9 GLN HE22 1.0 1.8 5.0 333 264 A 91 LEU HD1% A 9 GLN HE21 1.0 1.8 5.0 334 264 A 91 LEU HD1% A 9 GLN HE22 1.0 1.8 5.0 335 265 A 92 ASP H A 9 GLN HE21 1.0 1.8 5.0 336 265 A 92 ASP H A 9 GLN HE22 1.0 1.8 5.0 337 266 A 90 PHE HD% A 9 GLN HE21 1.0 1.8 6.0 338 267 A 90 PHE HE% A 9 GLN HE21 1.0 1.8 6.0 339 268 A 91 LEU HA A 9 GLN HE21 1.0 1.8 5.0 340 269 A 91 LEU HD1% A 9 GLN HE21 1.0 1.8 5.0 341 270 A 90 PHE HD% A 9 GLN HE22 1.0 1.8 6.0 342 271 A 90 PHE HE% A 9 GLN HE22 1.0 1.8 6.0 343 272 A 91 LEU HA A 9 GLN HE22 1.0 1.8 5.0 344 273 A 91 LEU HD1% A 9 GLN HE22 1.0 1.8 5.0 345 274 A 10 VAL H A 9 GLN HGy 1.0 1.8 5.0 346 275 A 35 PHE HD% A 9 GLN HGy 1.0 1.8 5.0 347 276 A 9 GLN HGy A 85 VAL HG2% 1.0 1.8 6.0 348 277 A 9 GLN HGx A 11 VAL HG2% 1.0 1.8 5.0 349 278 A 35 PHE HD% A 9 GLN HGx 1.0 1.8 6.0 350 279 A 85 VAL HG2% A 9 GLN HGx 1.0 1.8 5.0 351 280 A 9 GLN HGx A 90 PHE HA 1.0 1.8 5.0 352 281 A 9 GLN HGx A 90 PHE HBx 1.0 1.8 6.0 353 282 A 90 PHE HD% A 9 GLN HGx 1.0 1.8 5.0 354 283 A 9 GLN H A 9 GLN HGx 1.0 1.8 5.0 355 284 A 9 GLN H A 10 VAL HG1% 1.0 1.8 5.0 356 285 A 9 GLN H A 10 VAL H 1.0 1.8 5.0 357 286 A 9 GLN H A 34 ILE HG2% 1.0 1.8 5.0 358 287 A 9 GLN H A 35 PHE HBy 1.0 1.8 5.0 359 287 A 9 GLN H A 35 PHE HBx 1.0 1.8 5.0 360 288 A 9 GLN H A 35 PHE H 1.0 1.8 5.0 361 289 A 36 THR HA A 9 GLN H 1.0 1.8 5.0 362 290 A 9 GLN H A 37 GLN H 1.0 1.8 5.0 363 291 A 90 PHE HE% A 9 GLN H 1.0 1.8 5.0 364 292 A 10 VAL HG1% A 10 VAL HA 1.0 1.8 3.5 365 293 A 10 VAL HA A 10 VAL HG2% 1.0 1.8 3.5 366 294 A 11 VAL HG2% A 10 VAL HA 1.0 1.8 5.0 367 295 A 10 VAL HA A 11 VAL H 1.0 1.8 3.5 368 296 A 10 VAL HA A 33 LEU H 1.0 1.8 5.0 369 297 A 10 VAL HA A 34 ILE HA 1.0 1.8 5.0 370 298 A 34 ILE HG1y A 10 VAL HA 1.0 1.8 5.0 371 299 A 34 ILE HG2% A 10 VAL HA 1.0 1.8 5.0 372 300 A 35 PHE H A 10 VAL HA 1.0 1.8 5.0 373 301 A 10 VAL HB A 11 VAL HA 1.0 1.8 6.0 374 302 A 11 VAL H A 10 VAL HB 1.0 1.8 5.0 375 303 A 34 ILE HG1y A 10 VAL HB 1.0 1.8 6.0 376 304 A 34 ILE HG2% A 10 VAL HB 1.0 1.8 6.0 377 305 A 10 VAL HG1% A 11 VAL H 1.0 1.8 5.0 378 306 A 10 VAL HG1% A 33 LEU HA 1.0 1.8 6.0 379 307 A 10 VAL HG1% A 34 ILE HB 1.0 1.8 5.0 380 308 A 10 VAL HG1% A 34 ILE HG1x 1.0 1.8 3.5 381 309 A 10 VAL HG2% A 11 VAL HA 1.0 1.8 5.0 382 310 A 10 VAL HG2% A 12 THR HA 1.0 1.8 5.0 383 311 A 10 VAL HG2% A 12 THR H 1.0 1.8 5.0 384 312 A 10 VAL HG2% A 32 SER HA 1.0 1.8 5.0 385 313 A 10 VAL HG2% A 32 SER HBx 1.0 1.8 3.5 386 313 A 10 VAL HG2% A 32 SER HBy 1.0 1.8 3.5 387 314 A 10 VAL HG2% A 33 LEU H 1.0 1.8 5.0 388 315 A 34 ILE HG1y A 10 VAL HG2% 1.0 1.8 5.0 389 316 A 10 VAL HG1% A 10 VAL H 1.0 1.8 3.5 390 317 A 10 VAL H A 11 VAL HG2% 1.0 1.8 5.0 391 318 A 10 VAL H A 11 VAL H 1.0 1.8 5.0 392 319 A 11 VAL HA A 11 VAL HG1% 1.0 1.8 3.5 393 320 A 11 VAL HA A 12 THR HA 1.0 1.8 6.0 394 321 A 11 VAL HA A 12 THR H 1.0 1.8 3.5 395 322 A 11 VAL HB A 33 LEU HBx 1.0 1.8 6.0 396 323 A 11 VAL HB A 33 LEU HD2% 1.0 1.8 6.0 397 324 A 33 LEU H A 11 VAL HB 1.0 1.8 5.0 398 325 A 35 PHE HD% A 11 VAL HB 1.0 1.8 5.0 399 326 A 11 VAL HB A 35 PHE HZ 1.0 1.8 6.0 400 327 A 11 VAL HB A 60 PHE HE% 1.0 1.8 5.0 401 328 A 12 THR H A 11 VAL HG1% 1.0 1.8 3.5 402 329 A 11 VAL HG1% A 13 GLN H 1.0 1.8 5.0 403 330 A 11 VAL HG1% A 33 LEU HBx 1.0 1.8 6.0 404 331 A 11 VAL HG1% A 33 LEU HD1% 1.0 1.8 5.0 405 332 A 33 LEU H A 11 VAL HG1% 1.0 1.8 5.0 406 333 A 11 VAL HG1% A 60 PHE HD% 1.0 1.8 5.0 407 334 A 11 VAL HG1% A 60 PHE HE% 1.0 1.8 5.0 408 335 A 11 VAL HG1% A 60 PHE HZ 1.0 1.8 3.5 409 336 A 11 VAL HG1% A 93 LYS HBx 1.0 1.8 5.0 410 336 A 11 VAL HG1% A 93 LYS HBy 1.0 1.8 5.0 411 337 A 11 VAL HG1% A 94 GLN HGx 1.0 1.8 3.5 412 337 A 11 VAL HG1% A 94 GLN HGy 1.0 1.8 3.5 413 338 A 11 VAL HG1% A 94 GLN H 1.0 1.8 5.0 414 339 A 11 VAL HG1% A 95 ASN HBy 1.0 1.8 5.0 415 339 A 11 VAL HG1% A 95 ASN HBx 1.0 1.8 5.0 416 340 A 11 VAL HG1% A 95 ASN HBy 1.0 1.8 6.0 417 341 A 11 VAL HG1% A 95 ASN HBx 1.0 1.8 6.0 418 342 A 11 VAL HG1% A 95 ASN H 1.0 1.8 5.0 419 343 A 11 VAL HG1% A 96 ARG H 1.0 1.8 5.0 420 344 A 11 VAL HG2% A 12 THR H 1.0 1.8 5.0 421 345 A 11 VAL HG2% A 33 LEU HD1% 1.0 1.8 5.0 422 346 A 35 PHE HD% A 11 VAL HG2% 1.0 1.8 5.0 423 347 A 11 VAL HG2% A 35 PHE HE% 1.0 1.8 5.0 424 348 A 35 PHE H A 11 VAL HG2% 1.0 1.8 6.0 425 349 A 11 VAL HG2% A 35 PHE HZ 1.0 1.8 5.0 426 350 A 11 VAL HG2% A 60 PHE HE% 1.0 1.8 5.0 427 351 A 11 VAL HG2% A 60 PHE HZ 1.0 1.8 5.0 428 352 A 85 VAL HG2% A 11 VAL HG2% 1.0 1.8 5.0 429 353 A 11 VAL HG2% A 93 LYS HA 1.0 1.8 5.0 430 354 A 11 VAL HG2% A 93 LYS HBx 1.0 1.8 5.0 431 354 A 11 VAL HG2% A 93 LYS HBy 1.0 1.8 5.0 432 355 A 11 VAL HG2% A 94 GLN HE2x 1.0 1.8 5.0 433 356 A 11 VAL HG2% A 94 GLN HGx 1.0 1.8 5.0 434 356 A 11 VAL HG2% A 94 GLN HGy 1.0 1.8 5.0 435 357 A 11 VAL HG2% A 94 GLN H 1.0 1.8 5.0 436 358 A 11 VAL HG2% A 95 ASN H 1.0 1.8 5.0 437 359 A 11 VAL H A 11 VAL HG1% 1.0 1.8 5.0 438 360 A 11 VAL HG2% A 11 VAL H 1.0 1.8 5.0 439 361 A 11 VAL H A 12 THR H 1.0 1.8 5.0 440 362 A 11 VAL H A 33 LEU HA 1.0 1.8 5.0 441 363 A 11 VAL H A 33 LEU HBy 1.0 1.8 5.0 442 364 A 11 VAL H A 33 LEU HD1% 1.0 1.8 5.0 443 365 A 11 VAL H A 33 LEU H 1.0 1.8 5.0 444 366 A 11 VAL H A 34 ILE HA 1.0 1.8 5.0 445 367 A 34 ILE HG1y A 11 VAL H 1.0 1.8 6.0 446 368 A 35 PHE HD% A 11 VAL H 1.0 1.8 5.0 447 369 A 11 VAL H A 35 PHE HE% 1.0 1.8 6.0 448 370 A 12 THR HA A 12 THR HG2% 1.0 1.8 3.5 449 371 A 12 THR HA A 13 GLN HA 1.0 1.8 6.0 450 372 A 12 THR HA A 30 VAL HGx% 1.0 1.8 5.0 451 373 A 12 THR HA A 31 VAL HG1% 1.0 1.8 5.0 452 374 A 12 THR HA A 32 SER HA 1.0 1.8 5.0 453 375 A 12 THR HA A 32 SER HBy 1.0 1.8 5.0 454 376 A 12 THR HA A 32 SER HBx 1.0 1.8 5.0 455 377 A 12 THR HA A 32 SER H 1.0 1.8 6.0 456 378 A 33 LEU H A 12 THR HA 1.0 1.8 5.0 457 379 A 13 GLN H A 12 THR HB 1.0 1.8 5.0 458 380 A 30 VAL HGx% A 12 THR HB 1.0 1.8 5.0 459 381 A 13 GLN H A 12 THR HG2% 1.0 1.8 5.0 460 382 A 12 THR HG2% A 14 THR HG2% 1.0 1.8 5.0 461 383 A 12 THR HG2% A 30 VAL HA 1.0 1.8 6.0 462 384 A 12 THR HG2% A 30 VAL HB 1.0 1.8 5.0 463 385 A 12 THR HG2% A 30 VAL HGx% 1.0 1.8 2.7 464 386 A 12 THR HG2% A 31 VAL H 1.0 1.8 5.0 465 387 A 32 SER HA A 12 THR HG2% 1.0 1.8 5.0 466 388 A 12 THR HG2% A 32 SER HBx 1.0 1.8 3.5 467 388 A 32 SER HBy A 12 THR HG2% 1.0 1.8 3.5 468 389 A 32 SER HBy A 12 THR HG2% 1.0 1.8 5.0 469 390 A 12 THR HG2% A 32 SER HBx 1.0 1.8 5.0 470 391 A 12 THR HG2% A 32 SER H 1.0 1.8 5.0 471 392 A 12 THR H A 13 GLN H 1.0 1.8 5.0 472 393 A 13 GLN HA A 14 THR H 1.0 1.8 3.5 473 394 A 13 GLN HA A 31 VAL HG1% 1.0 1.8 5.0 474 395 A 96 ARG H A 13 GLN HA 1.0 1.8 5.0 475 396 A 15 ILE H A 13 GLN HBx 1.0 1.8 6.0 476 396 A 13 GLN HBy A 15 ILE H 1.0 1.8 6.0 477 397 A 30 VAL HA A 13 GLN HBx 1.0 1.8 5.0 478 397 A 30 VAL HA A 13 GLN HBy 1.0 1.8 5.0 479 398 A 31 VAL H A 13 GLN HBx 1.0 1.8 5.0 480 398 A 31 VAL H A 13 GLN HBy 1.0 1.8 5.0 481 399 A 14 THR H A 13 GLN HGx 1.0 1.8 6.0 482 399 A 14 THR H A 13 GLN HGy 1.0 1.8 6.0 483 400 A 13 GLN H A 30 VAL HA 1.0 1.8 5.0 484 401 A 13 GLN H A 30 VAL HGx% 1.0 1.8 5.0 485 402 A 13 GLN H A 31 VAL H 1.0 1.8 5.0 486 403 A 32 SER HA A 13 GLN H 1.0 1.8 5.0 487 404 A 13 GLN H A 32 SER H 1.0 1.8 5.0 488 405 A 33 LEU H A 13 GLN H 1.0 1.8 5.0 489 406 A 13 GLN H A 60 PHE HZ 1.0 1.8 5.0 490 407 A 15 ILE H A 14 THR HA 1.0 1.8 3.5 491 408 A 30 VAL HA A 14 THR HA 1.0 1.8 5.0 492 409 A 30 VAL HB A 14 THR HA 1.0 1.8 5.0 493 410 A 14 THR HA A 30 VAL HGy% 1.0 1.8 5.0 494 411 A 31 VAL H A 14 THR HA 1.0 1.8 5.0 495 412 A 14 THR HB A 97 GLU HA 1.0 1.8 6.0 496 413 A 14 THR HB A 97 GLU HGx 1.0 1.8 5.0 497 413 A 14 THR HB A 97 GLU HGy 1.0 1.8 5.0 498 414 A 14 THR HG2% A 15 ILE H 1.0 1.8 5.0 499 415 A 14 THR HG2% A 29 HIS H 1.0 1.8 6.0 500 416 A 14 THR HG2% A 30 VAL HA 1.0 1.8 5.0 501 417 A 14 THR HG2% A 30 VAL HB 1.0 1.8 5.0 502 418 A 14 THR HG2% A 30 VAL HGy% 1.0 1.8 3.5 503 419 A 14 THR HG2% A 30 VAL H 1.0 1.8 6.0 504 420 A 14 THR HG2% A 31 VAL H 1.0 1.8 6.0 505 421 A 14 THR HG2% A 97 GLU HGx 1.0 1.8 5.0 506 421 A 14 THR HG2% A 97 GLU HGy 1.0 1.8 5.0 507 422 A 14 THR HG2% A 97 GLU HGy 1.0 1.8 5.0 508 423 A 14 THR HG2% A 97 GLU HGx 1.0 1.8 5.0 509 424 A 14 THR HG2% A 14 THR H 1.0 1.8 5.0 510 425 A 14 THR H A 15 ILE H 1.0 1.8 5.0 511 426 A 14 THR H A 96 ARG HBy 1.0 1.8 5.0 512 426 A 14 THR H A 96 ARG HBx 1.0 1.8 5.0 513 427 A 14 THR H A 96 ARG HBy 1.0 1.8 6.0 514 428 A 14 THR H A 96 ARG HBx 1.0 1.8 6.0 515 429 A 96 ARG H A 14 THR H 1.0 1.8 5.0 516 430 A 14 THR H A 97 GLU HA 1.0 1.8 5.0 517 431 A 14 THR H A 97 GLU HBx 1.0 1.8 6.0 518 431 A 14 THR H A 97 GLU HBy 1.0 1.8 6.0 519 432 A 15 ILE HA A 98 GLU HBx 1.0 1.8 6.0 520 433 A 15 ILE HA A 98 GLU H 1.0 1.8 5.0 521 434 A 15 ILE HB A 63 LEU HG 1.0 1.8 5.0 522 435 A 15 ILE HD1% A 16 HIS H 1.0 1.8 5.0 523 436 A 30 VAL HA A 15 ILE HD1% 1.0 1.8 6.0 524 437 A 15 ILE HD1% A 63 LEU HBx 1.0 1.8 5.0 525 437 A 15 ILE HD1% A 63 LEU HBy 1.0 1.8 5.0 526 438 A 15 ILE HD1% A 63 LEU HBy 1.0 1.8 5.0 527 439 A 15 ILE HD1% A 63 LEU HBx 1.0 1.8 5.0 528 440 A 63 LEU HG A 15 ILE HD1% 1.0 1.8 5.0 529 441 A 15 ILE HD1% A 78 VAL HB 1.0 1.8 5.0 530 442 A 15 ILE HD1% A 78 VAL HG1% 1.0 1.8 3.5 531 443 A 15 ILE HD1% A 78 VAL HG2% 1.0 1.8 3.5 532 444 A 15 ILE HD1% A 98 GLU HBy 1.0 1.8 5.0 533 445 A 98 GLU HBx A 15 ILE HD1% 1.0 1.8 3.5 534 446 A 15 ILE HD1% A 98 GLU HGx 1.0 1.8 5.0 535 446 A 15 ILE HD1% A 98 GLU HGy 1.0 1.8 5.0 536 447 A 98 GLU H A 15 ILE HD1% 1.0 1.8 5.0 537 448 A 15 ILE HD1% A 99 THR H 1.0 1.8 6.0 538 449 A 16 HIS H A 15 ILE HG1x 1.0 1.8 5.0 539 449 A 16 HIS H A 15 ILE HG1y 1.0 1.8 5.0 540 450 A 17 TYR HE% A 15 ILE HG1x 1.0 1.8 5.0 541 450 A 15 ILE HG1y A 17 TYR HE% 1.0 1.8 5.0 542 451 A 63 LEU HG A 15 ILE HG1x 1.0 1.8 5.0 543 451 A 63 LEU HG A 15 ILE HG1y 1.0 1.8 5.0 544 452 A 78 VAL HB A 15 ILE HG1x 1.0 1.8 5.0 545 452 A 78 VAL HB A 15 ILE HG1y 1.0 1.8 5.0 546 453 A 78 VAL HG2% A 15 ILE HG1x 1.0 1.8 5.0 547 453 A 78 VAL HG2% A 15 ILE HG1y 1.0 1.8 5.0 548 454 A 98 GLU HBy A 15 ILE HG1x 1.0 1.8 5.0 549 454 A 98 GLU HBy A 15 ILE HG1y 1.0 1.8 5.0 550 455 A 98 GLU HBx A 15 ILE HG1x 1.0 1.8 5.0 551 455 A 98 GLU HBx A 15 ILE HG1y 1.0 1.8 5.0 552 456 A 15 ILE HG1x A 98 GLU HGx 1.0 1.8 5.0 553 456 A 15 ILE HG1y A 98 GLU HGx 1.0 1.8 5.0 554 456 A 98 GLU HGy A 15 ILE HG1x 1.0 1.8 5.0 555 456 A 98 GLU HGy A 15 ILE HG1y 1.0 1.8 5.0 556 457 A 98 GLU H A 15 ILE HG1x 1.0 1.8 5.0 557 457 A 98 GLU H A 15 ILE HG1y 1.0 1.8 5.0 558 458 A 100 VAL HG1% A 15 ILE HG1x 1.0 1.8 5.0 559 458 A 15 ILE HG1y A 100 VAL HG1% 1.0 1.8 5.0 560 459 A 100 VAL H A 15 ILE HG1x 1.0 1.8 5.0 561 459 A 15 ILE HG1y A 100 VAL H 1.0 1.8 5.0 562 460 A 15 ILE HG2% A 15 ILE HG1x 1.0 1.8 3.5 563 460 A 15 ILE HG1y A 15 ILE HG2% 1.0 1.8 3.5 564 461 A 16 HIS H A 15 ILE HG2% 1.0 1.8 5.0 565 462 A 17 TYR HE% A 15 ILE HG2% 1.0 1.8 6.0 566 463 A 15 ILE HG2% A 29 HIS HBx 1.0 1.8 5.0 567 463 A 15 ILE HG2% A 29 HIS HBy 1.0 1.8 5.0 568 464 A 30 VAL HA A 15 ILE HG2% 1.0 1.8 6.0 569 465 A 15 ILE H A 15 ILE HD1% 1.0 1.8 5.0 570 466 A 15 ILE H A 15 ILE HG1x 1.0 1.8 5.0 571 466 A 15 ILE H A 15 ILE HG1y 1.0 1.8 5.0 572 467 A 30 VAL HA A 15 ILE H 1.0 1.8 5.0 573 468 A 31 VAL H A 15 ILE H 1.0 1.8 5.0 574 469 A 16 HIS HA A 17 TYR HBx 1.0 1.8 5.0 575 470 A 16 HIS HA A 17 TYR H 1.0 1.8 3.5 576 471 A 16 HIS HA A 27 ASP HA 1.0 1.8 5.0 577 472 A 16 HIS HA A 27 ASP HBy 1.0 1.8 6.0 578 472 A 16 HIS HA A 27 ASP HBx 1.0 1.8 6.0 579 473 A 16 HIS HA A 27 ASP H 1.0 1.8 6.0 580 474 A 99 THR HG2% A 16 HIS HBx 1.0 1.8 5.0 581 474 A 16 HIS HBy A 99 THR HG2% 1.0 1.8 5.0 582 475 A 16 HIS HD2 A 97 GLU HBx 1.0 1.8 6.0 583 475 A 97 GLU HBy A 16 HIS HD2 1.0 1.8 6.0 584 476 A 16 HIS HD2 A 97 GLU HGx 1.0 1.8 5.0 585 476 A 97 GLU HGy A 16 HIS HD2 1.0 1.8 5.0 586 477 A 97 GLU HGy A 16 HIS HD2 1.0 1.8 5.0 587 478 A 16 HIS HD2 A 97 GLU HGx 1.0 1.8 5.0 588 479 A 16 HIS H A 16 HIS HD2 1.0 1.8 5.0 589 480 A 16 HIS H A 17 TYR H 1.0 1.8 6.0 590 481 A 16 HIS H A 100 VAL H 1.0 1.8 5.0 591 482 A 17 TYR HA A 25 ALA HB% 1.0 1.8 5.0 592 483 A 99 THR HG2% A 17 TYR HA 1.0 1.8 5.0 593 484 A 17 TYR HA A 100 VAL HB 1.0 1.8 6.0 594 485 A 100 VAL HG1% A 17 TYR HA 1.0 1.8 5.0 595 486 A 100 VAL H A 17 TYR HA 1.0 1.8 5.0 596 487 A 17 TYR HA A 102 TYR HE% 1.0 1.8 5.0 597 488 A 25 ALA HB% A 17 TYR HBy 1.0 1.8 5.0 598 489 A 17 TYR HBy A 100 VAL HG2% 1.0 1.8 5.0 599 490 A 100 VAL H A 17 TYR HBy 1.0 1.8 6.0 600 491 A 102 TYR HE% A 17 TYR HBy 1.0 1.8 5.0 601 492 A 17 TYR HBx A 25 ALA HB% 1.0 1.8 5.0 602 493 A 17 TYR HBx A 26 HIS H 1.0 1.8 5.0 603 494 A 17 TYR HBx A 100 VAL HG2% 1.0 1.8 5.0 604 495 A 17 TYR HE% A 29 HIS HBx 1.0 1.8 3.5 605 495 A 17 TYR HE% A 29 HIS HBy 1.0 1.8 3.5 606 496 A 17 TYR HE% A 29 HIS HBy 1.0 1.8 5.0 607 497 A 17 TYR HE% A 29 HIS HBx 1.0 1.8 5.0 608 498 A 17 TYR HE% A 65 SER HBx 1.0 1.8 5.0 609 498 A 17 TYR HE% A 65 SER HBy 1.0 1.8 5.0 610 499 A 17 TYR HE% A 66 PRO HDy 1.0 1.8 6.0 611 500 A 17 TYR HE% A 66 PRO HDx 1.0 1.8 5.0 612 501 A 17 TYR HE% A 100 VAL HG1% 1.0 1.8 5.0 613 502 A 17 TYR HE% A 100 VAL HG2% 1.0 1.8 5.0 614 503 A 17 TYR H A 18 ARG H 1.0 1.8 6.0 615 504 A 17 TYR H A 24 VAL HG1% 1.0 1.8 6.0 616 505 A 17 TYR H A 25 ALA H 1.0 1.8 6.0 617 506 A 17 TYR H A 26 HIS H 1.0 1.8 5.0 618 507 A 17 TYR H A 99 THR HG2% 1.0 1.8 6.0 619 508 A 18 ARG HA A 18 ARG HDy 1.0 1.8 5.0 620 509 A 18 ARG HA A 18 ARG HDx 1.0 1.8 5.0 621 510 A 18 ARG HA A 19 TYR HBx 1.0 1.8 5.0 622 511 A 18 ARG HA A 19 TYR HD% 1.0 1.8 5.0 623 512 A 18 ARG HA A 19 TYR H 1.0 1.8 3.5 624 513 A 18 ARG HA A 23 ALA HB% 1.0 1.8 5.0 625 514 A 18 ARG HA A 24 VAL HA 1.0 1.8 5.0 626 515 A 18 ARG HA A 24 VAL HB 1.0 1.8 6.0 627 516 A 24 VAL HG1% A 18 ARG HA 1.0 1.8 5.0 628 517 A 18 ARG HA A 24 VAL HG2% 1.0 1.8 5.0 629 518 A 25 ALA HB% A 18 ARG HA 1.0 1.8 5.0 630 519 A 25 ALA H A 18 ARG HA 1.0 1.8 5.0 631 520 A 26 HIS H A 18 ARG HA 1.0 1.8 5.0 632 521 A 18 ARG HA A 101 ILE HD1% 1.0 1.8 5.0 633 522 A 18 ARG HDx A 18 ARG HBy 1.0 1.8 5.0 634 523 A 18 ARG HBy A 18 ARG HE 1.0 1.8 5.0 635 524 A 19 TYR HBx A 18 ARG HBy 1.0 1.8 6.0 636 525 A 19 TYR H A 18 ARG HBy 1.0 1.8 5.0 637 526 A 25 ALA H A 18 ARG HBy 1.0 1.8 5.0 638 527 A 99 THR HG2% A 18 ARG HBx 1.0 1.8 5.0 639 528 A 101 ILE HD1% A 18 ARG HBx 1.0 1.8 5.0 640 529 A 18 ARG HDy A 24 VAL HA 1.0 1.8 5.0 641 530 A 24 VAL HG1% A 18 ARG HDy 1.0 1.8 5.0 642 531 A 18 ARG HDy A 24 VAL HG2% 1.0 1.8 5.0 643 532 A 18 ARG HDx A 19 TYR H 1.0 1.8 5.0 644 533 A 18 ARG HDx A 22 GLY HAx 1.0 1.8 6.0 645 534 A 18 ARG HDx A 24 VAL HA 1.0 1.8 5.0 646 535 A 24 VAL HG1% A 18 ARG HDx 1.0 1.8 5.0 647 536 A 18 ARG HDx A 24 VAL HG2% 1.0 1.8 3.5 648 537 A 25 ALA H A 18 ARG HDx 1.0 1.8 5.0 649 538 A 24 VAL HG1% A 18 ARG HE 1.0 1.8 6.0 650 539 A 24 VAL HG2% A 18 ARG HE 1.0 1.8 5.0 651 540 A 18 ARG HH1% A 18 ARG HGx 1.0 1.8 5.0 652 540 A 18 ARG HGy A 18 ARG HH1% 1.0 1.8 5.0 653 541 A 19 TYR H A 18 ARG HGx 1.0 1.8 5.0 654 541 A 19 TYR H A 18 ARG HGy 1.0 1.8 5.0 655 542 A 24 VAL HA A 18 ARG HGx 1.0 1.8 5.0 656 542 A 24 VAL HA A 18 ARG HGy 1.0 1.8 5.0 657 543 A 24 VAL HG1% A 18 ARG HGx 1.0 1.8 5.0 658 543 A 24 VAL HG1% A 18 ARG HGy 1.0 1.8 5.0 659 544 A 25 ALA H A 18 ARG HGx 1.0 1.8 6.0 660 544 A 25 ALA H A 18 ARG HGy 1.0 1.8 6.0 661 545 A 99 THR HG2% A 18 ARG HGx 1.0 1.8 3.5 662 545 A 99 THR HG2% A 18 ARG HGy 1.0 1.8 3.5 663 546 A 18 ARG H A 19 TYR H 1.0 1.8 5.0 664 547 A 25 ALA HB% A 18 ARG H 1.0 1.8 5.0 665 548 A 99 THR HG2% A 18 ARG H 1.0 1.8 5.0 666 549 A 100 VAL H A 18 ARG H 1.0 1.8 5.0 667 550 A 18 ARG H A 101 ILE HA 1.0 1.8 5.0 668 551 A 102 TYR HE% A 18 ARG H 1.0 1.8 5.0 669 552 A 18 ARG H A 102 TYR H 1.0 1.8 5.0 670 553 A 19 TYR HD% A 19 TYR HA 1.0 1.8 3.5 671 554 A 19 TYR HA A 20 GLU HA 1.0 1.8 5.0 672 555 A 19 TYR HA A 20 GLU HBx 1.0 1.8 5.0 673 555 A 19 TYR HA A 20 GLU HBy 1.0 1.8 5.0 674 556 A 19 TYR HA A 20 GLU HGy 1.0 1.8 6.0 675 557 A 19 TYR HA A 20 GLU HGx 1.0 1.8 5.0 676 558 A 19 TYR HA A 20 GLU H 1.0 1.8 3.5 677 559 A 19 TYR HA A 21 ASP H 1.0 1.8 5.0 678 560 A 23 ALA HB% A 19 TYR HA 1.0 1.8 5.0 679 561 A 19 TYR HA A 23 ALA H 1.0 1.8 6.0 680 562 A 25 ALA HB% A 19 TYR HA 1.0 1.8 5.0 681 563 A 101 ILE HD1% A 19 TYR HA 1.0 1.8 5.0 682 564 A 19 TYR HA A 101 ILE HG2% 1.0 1.8 5.0 683 565 A 19 TYR HA A 102 TYR HBx 1.0 1.8 5.0 684 565 A 19 TYR HA A 102 TYR HBy 1.0 1.8 5.0 685 566 A 19 TYR HA A 102 TYR HD% 1.0 1.8 5.0 686 567 A 102 TYR H A 19 TYR HA 1.0 1.8 5.0 687 568 A 20 GLU H A 19 TYR HBy 1.0 1.8 5.0 688 569 A 21 ASP H A 19 TYR HBy 1.0 1.8 5.0 689 570 A 19 TYR HBy A 22 GLY H 1.0 1.8 6.0 690 571 A 23 ALA HB% A 19 TYR HBy 1.0 1.8 5.0 691 572 A 23 ALA H A 19 TYR HBy 1.0 1.8 5.0 692 573 A 19 TYR HBx A 20 GLU H 1.0 1.8 5.0 693 574 A 19 TYR HBx A 21 ASP H 1.0 1.8 5.0 694 575 A 19 TYR HBx A 23 ALA HA 1.0 1.8 6.0 695 576 A 19 TYR HBx A 23 ALA HB% 1.0 1.8 5.0 696 577 A 19 TYR HBx A 23 ALA H 1.0 1.8 5.0 697 578 A 19 TYR HD% A 20 GLU H 1.0 1.8 5.0 698 579 A 19 TYR HD% A 21 ASP H 1.0 1.8 5.0 699 580 A 19 TYR HD% A 23 ALA HB% 1.0 1.8 3.5 700 581 A 19 TYR HD% A 23 ALA H 1.0 1.8 5.0 701 582 A 19 TYR HD% A 24 VAL H 1.0 1.8 5.0 702 583 A 19 TYR HD% A 25 ALA HA 1.0 1.8 5.0 703 584 A 25 ALA HB% A 19 TYR HD% 1.0 1.8 3.5 704 585 A 25 ALA H A 19 TYR HD% 1.0 1.8 6.0 705 586 A 19 TYR HD% A 68 ILE HG2% 1.0 1.8 5.0 706 587 A 19 TYR HD% A 71 TYR HD% 1.0 1.8 5.0 707 588 A 19 TYR HD% A 71 TYR HE% 1.0 1.8 3.5 708 589 A 19 TYR HD% A 102 TYR HBx 1.0 1.8 5.0 709 589 A 19 TYR HD% A 102 TYR HBy 1.0 1.8 5.0 710 590 A 19 TYR HD% A 102 TYR H 1.0 1.8 5.0 711 591 A 23 ALA HB% A 19 TYR HE% 1.0 1.8 5.0 712 592 A 24 VAL H A 19 TYR HE% 1.0 1.8 5.0 713 593 A 25 ALA HA A 19 TYR HE% 1.0 1.8 3.5 714 594 A 25 ALA HB% A 19 TYR HE% 1.0 1.8 3.5 715 595 A 25 ALA H A 19 TYR HE% 1.0 1.8 5.0 716 596 A 26 HIS H A 19 TYR HE% 1.0 1.8 6.0 717 597 A 19 TYR HE% A 68 ILE HD1% 1.0 1.8 5.0 718 598 A 68 ILE HG2% A 19 TYR HE% 1.0 1.8 5.0 719 599 A 19 TYR HE% A 71 TYR HBx 1.0 1.8 5.0 720 599 A 19 TYR HE% A 71 TYR HBy 1.0 1.8 5.0 721 600 A 71 TYR HD% A 19 TYR HE% 1.0 1.8 5.0 722 601 A 71 TYR HE% A 19 TYR HE% 1.0 1.8 5.0 723 602 A 19 TYR HD% A 19 TYR H 1.0 1.8 5.0 724 603 A 19 TYR H A 22 GLY H 1.0 1.8 5.0 725 604 A 19 TYR H A 23 ALA HB% 1.0 1.8 5.0 726 605 A 19 TYR H A 23 ALA H 1.0 1.8 5.0 727 606 A 19 TYR H A 24 VAL HA 1.0 1.8 5.0 728 607 A 24 VAL HG1% A 19 TYR H 1.0 1.8 6.0 729 608 A 19 TYR H A 24 VAL H 1.0 1.8 5.0 730 609 A 25 ALA HB% A 19 TYR H 1.0 1.8 5.0 731 610 A 25 ALA H A 19 TYR H 1.0 1.8 5.0 732 611 A 19 TYR H A 102 TYR H 1.0 1.8 5.0 733 612 A 20 GLU HA A 21 ASP HA 1.0 1.8 6.0 734 613 A 20 GLU HA A 22 GLY H 1.0 1.8 5.0 735 614 A 20 GLU HA A 101 ILE HB 1.0 1.8 5.0 736 615 A 101 ILE HD1% A 20 GLU HA 1.0 1.8 3.5 737 616 A 20 GLU HA A 101 ILE HG2% 1.0 1.8 3.5 738 617 A 21 ASP HA A 20 GLU HBx 1.0 1.8 5.0 739 617 A 20 GLU HBy A 21 ASP HA 1.0 1.8 5.0 740 618 A 22 GLY H A 20 GLU HBx 1.0 1.8 5.0 741 618 A 20 GLU HBy A 22 GLY H 1.0 1.8 5.0 742 619 A 101 ILE HG2% A 20 GLU HBx 1.0 1.8 3.5 743 619 A 20 GLU HBy A 101 ILE HG2% 1.0 1.8 3.5 744 620 A 102 TYR H A 20 GLU HBx 1.0 1.8 5.0 745 620 A 102 TYR H A 20 GLU HBy 1.0 1.8 5.0 746 621 A 103 SER HA A 20 GLU HBx 1.0 1.8 5.0 747 621 A 20 GLU HBy A 103 SER HA 1.0 1.8 5.0 748 622 A 104 ALA H A 20 GLU HBx 1.0 1.8 5.0 749 622 A 20 GLU HBy A 104 ALA H 1.0 1.8 5.0 750 623 A 20 GLU HGy A 21 ASP H 1.0 1.8 5.0 751 624 A 20 GLU HGy A 22 GLY H 1.0 1.8 5.0 752 625 A 20 GLU HGy A 101 ILE HG2% 1.0 1.8 5.0 753 626 A 20 GLU HGy A 103 SER HA 1.0 1.8 5.0 754 627 A 20 GLU HGy A 103 SER HBx 1.0 1.8 5.0 755 627 A 20 GLU HGy A 103 SER HBy 1.0 1.8 5.0 756 628 A 20 GLU HGy A 104 ALA H 1.0 1.8 5.0 757 629 A 20 GLU HGx A 21 ASP H 1.0 1.8 5.0 758 630 A 20 GLU HGx A 22 GLY H 1.0 1.8 6.0 759 631 A 20 GLU HGx A 101 ILE HG2% 1.0 1.8 5.0 760 632 A 20 GLU HGx A 102 TYR HA 1.0 1.8 6.0 761 633 A 20 GLU HGx A 103 SER HA 1.0 1.8 5.0 762 634 A 20 GLU HGx A 103 SER HBx 1.0 1.8 5.0 763 634 A 20 GLU HGx A 103 SER HBy 1.0 1.8 5.0 764 635 A 20 GLU HGx A 103 SER HBy 1.0 1.8 5.0 765 636 A 20 GLU HGx A 103 SER HBx 1.0 1.8 5.0 766 637 A 20 GLU HGx A 103 SER H 1.0 1.8 5.0 767 638 A 20 GLU HGx A 104 ALA HB% 1.0 1.8 5.0 768 639 A 20 GLU HGx A 104 ALA H 1.0 1.8 5.0 769 640 A 20 GLU H A 20 GLU HBx 1.0 1.8 3.5 770 640 A 20 GLU HBy A 20 GLU H 1.0 1.8 3.5 771 641 A 20 GLU HGy A 20 GLU H 1.0 1.8 3.5 772 642 A 20 GLU HGx A 20 GLU H 1.0 1.8 3.5 773 643 A 20 GLU H A 21 ASP HBx 1.0 1.8 5.0 774 643 A 20 GLU H A 21 ASP HBy 1.0 1.8 5.0 775 644 A 20 GLU H A 21 ASP H 1.0 1.8 3.5 776 645 A 20 GLU H A 22 GLY H 1.0 1.8 5.0 777 646 A 23 ALA HB% A 20 GLU H 1.0 1.8 6.0 778 647 A 20 GLU H A 101 ILE HG2% 1.0 1.8 5.0 779 648 A 20 GLU H A 102 TYR HA 1.0 1.8 6.0 780 649 A 102 TYR H A 20 GLU H 1.0 1.8 5.0 781 650 A 20 GLU H A 103 SER HA 1.0 1.8 5.0 782 651 A 20 GLU H A 104 ALA H 1.0 1.8 6.0 783 652 A 21 ASP HA A 22 GLY HAy 1.0 1.8 5.0 784 653 A 22 GLY H A 21 ASP HA 1.0 1.8 3.5 785 654 A 23 ALA H A 21 ASP HA 1.0 1.8 5.0 786 655 A 22 GLY HAy A 21 ASP HBx 1.0 1.8 6.0 787 655 A 21 ASP HBy A 22 GLY HAy 1.0 1.8 6.0 788 656 A 23 ALA HB% A 21 ASP HBx 1.0 1.8 5.0 789 656 A 23 ALA HB% A 21 ASP HBy 1.0 1.8 5.0 790 657 A 23 ALA H A 21 ASP HBx 1.0 1.8 5.0 791 657 A 23 ALA H A 21 ASP HBy 1.0 1.8 5.0 792 658 A 22 GLY H A 21 ASP HBx 1.0 1.8 5.0 793 659 A 22 GLY H A 21 ASP HBy 1.0 1.8 5.0 794 660 A 21 ASP H A 21 ASP HBx 1.0 1.8 3.5 795 660 A 21 ASP H A 21 ASP HBy 1.0 1.8 3.5 796 661 A 21 ASP H A 22 GLY H 1.0 1.8 2.7 797 662 A 23 ALA HB% A 21 ASP H 1.0 1.8 5.0 798 663 A 21 ASP H A 23 ALA H 1.0 1.8 5.0 799 664 A 21 ASP H A 101 ILE HG2% 1.0 1.8 5.0 800 665 A 23 ALA HB% A 22 GLY HAy 1.0 1.8 5.0 801 666 A 23 ALA HB% A 22 GLY H 1.0 1.8 5.0 802 667 A 101 ILE HD1% A 22 GLY H 1.0 1.8 6.0 803 668 A 101 ILE HG2% A 22 GLY H 1.0 1.8 6.0 804 669 A 24 VAL HA A 23 ALA HA 1.0 1.8 5.0 805 670 A 24 VAL HB A 23 ALA HA 1.0 1.8 5.0 806 671 A 24 VAL HG2% A 23 ALA HA 1.0 1.8 3.5 807 672 A 23 ALA HA A 24 VAL H 1.0 1.8 3.5 808 673 A 23 ALA HB% A 24 VAL HA 1.0 1.8 5.0 809 674 A 23 ALA HB% A 24 VAL HG2% 1.0 1.8 5.0 810 675 A 23 ALA HB% A 24 VAL H 1.0 1.8 3.5 811 676 A 25 ALA HB% A 23 ALA HB% 1.0 1.8 5.0 812 677 A 23 ALA HB% A 23 ALA H 1.0 1.8 2.7 813 678 A 24 VAL HG2% A 23 ALA H 1.0 1.8 6.0 814 679 A 23 ALA H A 24 VAL H 1.0 1.8 5.0 815 680 A 24 VAL HG1% A 24 VAL HA 1.0 1.8 3.5 816 681 A 24 VAL HA A 24 VAL HG2% 1.0 1.8 3.5 817 682 A 24 VAL HA A 25 ALA HA 1.0 1.8 5.0 818 683 A 25 ALA HB% A 24 VAL HA 1.0 1.8 5.0 819 684 A 26 HIS H A 24 VAL HA 1.0 1.8 5.0 820 685 A 24 VAL HA A 27 ASP HBy 1.0 1.8 6.0 821 685 A 27 ASP HBx A 24 VAL HA 1.0 1.8 6.0 822 686 A 25 ALA H A 24 VAL HB 1.0 1.8 5.0 823 687 A 24 VAL HG1% A 25 ALA HA 1.0 1.8 5.0 824 688 A 25 ALA HB% A 24 VAL HG1% 1.0 1.8 5.0 825 689 A 24 VAL HG1% A 25 ALA H 1.0 1.8 3.5 826 690 A 26 HIS H A 24 VAL HG1% 1.0 1.8 3.5 827 691 A 27 ASP HA A 24 VAL HG1% 1.0 1.8 5.0 828 692 A 24 VAL HG1% A 27 ASP HBy 1.0 1.8 5.0 829 692 A 27 ASP HBx A 24 VAL HG1% 1.0 1.8 5.0 830 693 A 25 ALA H A 24 VAL HG2% 1.0 1.8 5.0 831 694 A 24 VAL HG2% A 27 ASP HBy 1.0 1.8 5.0 832 694 A 27 ASP HBx A 24 VAL HG2% 1.0 1.8 5.0 833 695 A 24 VAL HB A 24 VAL H 1.0 1.8 3.5 834 696 A 24 VAL HG1% A 24 VAL H 1.0 1.8 5.0 835 697 A 24 VAL HG2% A 24 VAL H 1.0 1.8 3.5 836 698 A 25 ALA HA A 68 ILE HD1% 1.0 1.8 5.0 837 699 A 25 ALA HB% A 26 HIS HA 1.0 1.8 5.0 838 700 A 25 ALA HB% A 26 HIS HBx 1.0 1.8 5.0 839 700 A 25 ALA HB% A 26 HIS HBy 1.0 1.8 5.0 840 701 A 25 ALA HB% A 26 HIS H 1.0 1.8 3.5 841 702 A 25 ALA HB% A 66 PRO HBy 1.0 1.8 5.0 842 703 A 25 ALA HB% A 66 PRO HDx 1.0 1.8 5.0 843 704 A 25 ALA HB% A 66 PRO HGx 1.0 1.8 3.5 844 704 A 25 ALA HB% A 66 PRO HGy 1.0 1.8 3.5 845 705 A 25 ALA HB% A 68 ILE HD1% 1.0 1.8 3.5 846 706 A 25 ALA HB% A 68 ILE HG2% 1.0 1.8 5.0 847 707 A 25 ALA HB% A 102 TYR HBx 1.0 1.8 5.0 848 707 A 25 ALA HB% A 102 TYR HBy 1.0 1.8 5.0 849 708 A 25 ALA HB% A 102 TYR HD% 1.0 1.8 5.0 850 709 A 25 ALA HB% A 102 TYR HE% 1.0 1.8 5.0 851 710 A 25 ALA HB% A 102 TYR H 1.0 1.8 6.0 852 711 A 25 ALA HB% A 25 ALA H 1.0 1.8 3.5 853 712 A 25 ALA H A 26 HIS HBx 1.0 1.8 6.0 854 712 A 25 ALA H A 26 HIS HBy 1.0 1.8 6.0 855 713 A 26 HIS H A 25 ALA H 1.0 1.8 3.5 856 714 A 26 HIS HA A 27 ASP HBy 1.0 1.8 5.0 857 714 A 27 ASP HBx A 26 HIS HA 1.0 1.8 5.0 858 715 A 27 ASP H A 26 HIS HA 1.0 1.8 3.5 859 716 A 27 ASP H A 26 HIS H 1.0 1.8 5.0 860 717 A 27 ASP HA A 28 ASP HBy 1.0 1.8 5.0 861 717 A 27 ASP HA A 28 ASP HBx 1.0 1.8 5.0 862 718 A 27 ASP HA A 28 ASP H 1.0 1.8 3.5 863 719 A 29 HIS H A 27 ASP HA 1.0 1.8 5.0 864 720 A 28 ASP HA A 27 ASP HBy 1.0 1.8 6.0 865 720 A 27 ASP HBx A 28 ASP HA 1.0 1.8 6.0 866 721 A 28 ASP H A 27 ASP HBy 1.0 1.8 5.0 867 722 A 27 ASP HBx A 28 ASP H 1.0 1.8 5.0 868 723 A 27 ASP H A 27 ASP HBy 1.0 1.8 3.5 869 723 A 27 ASP HBx A 27 ASP H 1.0 1.8 3.5 870 724 A 27 ASP H A 28 ASP H 1.0 1.8 5.0 871 725 A 29 HIS H A 28 ASP HA 1.0 1.8 3.5 872 726 A 30 VAL HGy% A 28 ASP HA 1.0 1.8 5.0 873 727 A 30 VAL H A 28 ASP HBy 1.0 1.8 6.0 874 727 A 30 VAL H A 28 ASP HBx 1.0 1.8 6.0 875 728 A 29 HIS H A 28 ASP HBy 1.0 1.8 5.0 876 729 A 29 HIS H A 28 ASP HBx 1.0 1.8 5.0 877 730 A 28 ASP H A 28 ASP HBy 1.0 1.8 3.5 878 730 A 28 ASP HBx A 28 ASP H 1.0 1.8 3.5 879 731 A 29 HIS H A 28 ASP H 1.0 1.8 5.0 880 732 A 30 VAL HGy% A 28 ASP H 1.0 1.8 5.0 881 733 A 29 HIS HA A 29 HIS HD2 1.0 1.8 5.0 882 734 A 30 VAL H A 29 HIS HA 1.0 1.8 3.5 883 735 A 30 VAL H A 29 HIS HBy 1.0 1.8 5.0 884 736 A 30 VAL H A 29 HIS HBx 1.0 1.8 5.0 885 737 A 30 VAL HGy% A 29 HIS H 1.0 1.8 5.0 886 738 A 29 HIS H A 30 VAL H 1.0 1.8 5.0 887 739 A 30 VAL HGx% A 30 VAL HA 1.0 1.8 3.5 888 740 A 30 VAL HA A 30 VAL HGy% 1.0 1.8 3.5 889 741 A 30 VAL HA A 31 VAL HA 1.0 1.8 5.0 890 742 A 30 VAL HA A 31 VAL H 1.0 1.8 3.5 891 743 A 30 VAL HB A 31 VAL H 1.0 1.8 5.0 892 744 A 30 VAL HGx% A 31 VAL HA 1.0 1.8 5.0 893 745 A 30 VAL HGx% A 31 VAL HG1% 1.0 1.8 5.0 894 746 A 30 VAL HGx% A 31 VAL H 1.0 1.8 3.5 895 747 A 31 VAL H A 30 VAL HGy% 1.0 1.8 5.0 896 748 A 30 VAL HB A 30 VAL H 1.0 1.8 3.5 897 749 A 30 VAL HGx% A 30 VAL H 1.0 1.8 5.0 898 750 A 30 VAL HGy% A 30 VAL H 1.0 1.8 3.5 899 751 A 31 VAL H A 30 VAL H 1.0 1.8 5.0 900 752 A 31 VAL HA A 31 VAL HG2% 1.0 1.8 3.5 901 753 A 31 VAL HA A 32 SER HBx 1.0 1.8 5.0 902 753 A 32 SER HBy A 31 VAL HA 1.0 1.8 5.0 903 754 A 32 SER H A 31 VAL HA 1.0 1.8 2.7 904 755 A 32 SER H A 31 VAL HB 1.0 1.8 5.0 905 756 A 32 SER HA A 31 VAL HG1% 1.0 1.8 5.0 906 757 A 33 LEU HD1% A 31 VAL HG1% 1.0 1.8 5.0 907 758 A 33 LEU H A 31 VAL HG1% 1.0 1.8 5.0 908 759 A 60 PHE HD% A 31 VAL HG1% 1.0 1.8 5.0 909 760 A 60 PHE HE% A 31 VAL HG1% 1.0 1.8 3.5 910 761 A 31 VAL HG1% A 63 LEU HD1% 1.0 1.8 6.0 911 762 A 31 VAL HG1% A 63 LEU HD2% 1.0 1.8 5.0 912 763 A 31 VAL HG2% A 32 SER HBx 1.0 1.8 5.0 913 763 A 32 SER HBy A 31 VAL HG2% 1.0 1.8 5.0 914 764 A 32 SER H A 31 VAL HG2% 1.0 1.8 3.5 915 765 A 33 LEU HA A 31 VAL HG2% 1.0 1.8 6.0 916 766 A 31 VAL HG2% A 63 LEU HD1% 1.0 1.8 5.0 917 767 A 31 VAL HG2% A 63 LEU HD2% 1.0 1.8 5.0 918 768 A 31 VAL H A 31 VAL HB 1.0 1.8 3.5 919 769 A 31 VAL HG1% A 31 VAL H 1.0 1.8 5.0 920 770 A 32 SER H A 31 VAL H 1.0 1.8 5.0 921 771 A 31 VAL H A 63 LEU HD2% 1.0 1.8 5.0 922 772 A 33 LEU H A 32 SER HA 1.0 1.8 3.5 923 773 A 32 SER HA A 60 PHE HZ 1.0 1.8 5.0 924 774 A 33 LEU HA A 32 SER HBx 1.0 1.8 6.0 925 774 A 33 LEU HA A 32 SER HBy 1.0 1.8 6.0 926 775 A 34 ILE HD1% A 32 SER HBx 1.0 1.8 5.0 927 775 A 32 SER HBy A 34 ILE HD1% 1.0 1.8 5.0 928 776 A 32 SER H A 32 SER HBx 1.0 1.8 3.5 929 776 A 32 SER HBy A 32 SER H 1.0 1.8 3.5 930 777 A 33 LEU HD2% A 32 SER H 1.0 1.8 6.0 931 778 A 33 LEU H A 32 SER H 1.0 1.8 5.0 932 779 A 33 LEU HA A 33 LEU HD1% 1.0 1.8 5.0 933 780 A 33 LEU HA A 33 LEU HD2% 1.0 1.8 3.5 934 781 A 33 LEU HA A 34 ILE HB 1.0 1.8 5.0 935 782 A 33 LEU HA A 34 ILE HD1% 1.0 1.8 3.5 936 783 A 33 LEU HA A 34 ILE H 1.0 1.8 3.5 937 784 A 33 LEU HD1% A 33 LEU HBy 1.0 1.8 3.5 938 785 A 33 LEU HD2% A 33 LEU HBy 1.0 1.8 3.5 939 786 A 33 LEU HBy A 34 ILE HD1% 1.0 1.8 6.0 940 787 A 33 LEU HBy A 34 ILE H 1.0 1.8 3.5 941 788 A 35 PHE HE% A 33 LEU HBy 1.0 1.8 5.0 942 789 A 33 LEU HBx A 33 LEU HD1% 1.0 1.8 3.5 943 790 A 33 LEU HD1% A 34 ILE H 1.0 1.8 5.0 944 791 A 33 LEU HD1% A 35 PHE HE% 1.0 1.8 5.0 945 792 A 35 PHE HZ A 33 LEU HD1% 1.0 1.8 5.0 946 793 A 33 LEU HD1% A 58 GLN HA 1.0 1.8 5.0 947 794 A 33 LEU HD1% A 58 GLN HE22 1.0 1.8 5.0 948 794 A 33 LEU HD1% A 58 GLN HE21 1.0 1.8 5.0 949 795 A 33 LEU HD1% A 58 GLN H 1.0 1.8 5.0 950 796 A 33 LEU HD1% A 59 THR H 1.0 1.8 5.0 951 797 A 33 LEU HD1% A 60 PHE HD% 1.0 1.8 5.0 952 798 A 60 PHE HE% A 33 LEU HD1% 1.0 1.8 5.0 953 799 A 33 LEU HD1% A 60 PHE H 1.0 1.8 5.0 954 800 A 33 LEU HD1% A 60 PHE HZ 1.0 1.8 5.0 955 801 A 33 LEU HD1% A 61 GLU H 1.0 1.8 5.0 956 802 A 33 LEU HD1% A 83 VAL HB 1.0 1.8 5.0 957 803 A 33 LEU HD1% A 83 VAL HG1% 1.0 1.8 5.0 958 804 A 33 LEU HD1% A 83 VAL HG2% 1.0 1.8 5.0 959 805 A 33 LEU HD1% A 83 VAL H 1.0 1.8 5.0 960 806 A 34 ILE HA A 33 LEU HD2% 1.0 1.8 6.0 961 807 A 33 LEU HD2% A 35 PHE HE% 1.0 1.8 5.0 962 808 A 33 LEU HD2% A 35 PHE HZ 1.0 1.8 6.0 963 809 A 33 LEU HD2% A 58 GLN HA 1.0 1.8 5.0 964 810 A 33 LEU HD2% A 58 GLN HE22 1.0 1.8 5.0 965 810 A 33 LEU HD2% A 58 GLN HE21 1.0 1.8 5.0 966 811 A 33 LEU HD2% A 59 THR HB 1.0 1.8 5.0 967 812 A 33 LEU HD2% A 59 THR H 1.0 1.8 5.0 968 813 A 33 LEU HD2% A 60 PHE HD% 1.0 1.8 6.0 969 814 A 33 LEU HD2% A 61 GLU H 1.0 1.8 6.0 970 815 A 60 PHE HD% A 33 LEU HG 1.0 1.8 5.0 971 816 A 60 PHE HE% A 33 LEU HG 1.0 1.8 6.0 972 817 A 60 PHE HZ A 33 LEU HG 1.0 1.8 6.0 973 818 A 33 LEU H A 33 LEU HD1% 1.0 1.8 5.0 974 819 A 33 LEU H A 33 LEU HD2% 1.0 1.8 5.0 975 820 A 33 LEU H A 33 LEU HG 1.0 1.8 5.0 976 821 A 33 LEU H A 34 ILE HD1% 1.0 1.8 5.0 977 822 A 34 ILE HG1y A 33 LEU H 1.0 1.8 6.0 978 823 A 33 LEU H A 34 ILE H 1.0 1.8 5.0 979 824 A 33 LEU H A 35 PHE HE% 1.0 1.8 5.0 980 825 A 33 LEU H A 60 PHE HE% 1.0 1.8 6.0 981 826 A 33 LEU H A 60 PHE HZ 1.0 1.8 5.0 982 827 A 34 ILE HG2% A 34 ILE HA 1.0 1.8 3.5 983 828 A 35 PHE HD% A 34 ILE HA 1.0 1.8 5.0 984 829 A 35 PHE H A 34 ILE HA 1.0 1.8 3.5 985 830 A 34 ILE HB A 34 ILE HD1% 1.0 1.8 3.5 986 831 A 35 PHE HD% A 34 ILE HB 1.0 1.8 6.0 987 832 A 35 PHE H A 34 ILE HB 1.0 1.8 5.0 988 833 A 35 PHE H A 34 ILE HG1y 1.0 1.8 5.0 989 834 A 35 PHE H A 34 ILE HG1x 1.0 1.8 6.0 990 835 A 34 ILE HG2% A 34 ILE HG1y 1.0 1.8 5.0 991 836 A 34 ILE HG2% A 34 ILE HG1x 1.0 1.8 3.5 992 837 A 35 PHE H A 34 ILE HG2% 1.0 1.8 3.5 993 838 A 36 THR HB A 34 ILE HG2% 1.0 1.8 5.0 994 839 A 34 ILE HG2% A 36 THR H 1.0 1.8 5.0 995 840 A 34 ILE HB A 34 ILE H 1.0 1.8 3.5 996 841 A 34 ILE HD1% A 34 ILE H 1.0 1.8 3.5 997 842 A 34 ILE HG1y A 34 ILE H 1.0 1.8 5.0 998 843 A 34 ILE HG1x A 34 ILE H 1.0 1.8 5.0 999 844 A 35 PHE H A 34 ILE H 1.0 1.8 5.0 1000 845 A 34 ILE H A 58 GLN HE22 1.0 1.8 5.0 1001 845 A 34 ILE H A 58 GLN HE21 1.0 1.8 5.0 1002 846 A 36 THR H A 35 PHE HA 1.0 1.8 3.5 1003 847 A 85 VAL HG2% A 35 PHE HBy 1.0 1.8 5.0 1004 847 A 35 PHE HBx A 85 VAL HG2% 1.0 1.8 5.0 1005 848 A 36 THR H A 35 PHE HBy 1.0 1.8 5.0 1006 849 A 56 LEU HD2% A 35 PHE HBy 1.0 1.8 6.0 1007 849 A 35 PHE HBy A 56 LEU HD1% 1.0 1.8 6.0 1008 850 A 35 PHE HBx A 36 THR H 1.0 1.8 5.0 1009 851 A 35 PHE HBx A 56 LEU HD2% 1.0 1.8 6.0 1010 851 A 35 PHE HBx A 56 LEU HD1% 1.0 1.8 6.0 1011 852 A 35 PHE HD% A 36 THR H 1.0 1.8 5.0 1012 853 A 35 PHE HD% A 56 LEU HBy 1.0 1.8 5.0 1013 854 A 35 PHE HD% A 56 LEU HD1% 1.0 1.8 3.5 1014 854 A 35 PHE HD% A 56 LEU HD2% 1.0 1.8 3.5 1015 855 A 35 PHE HD% A 56 LEU HG 1.0 1.8 6.0 1016 856 A 35 PHE HD% A 56 LEU H 1.0 1.8 5.0 1017 857 A 35 PHE HD% A 58 GLN HE22 1.0 1.8 5.0 1018 857 A 35 PHE HD% A 58 GLN HE21 1.0 1.8 5.0 1019 858 A 35 PHE HD% A 85 VAL HG1% 1.0 1.8 5.0 1020 859 A 35 PHE HD% A 85 VAL HG2% 1.0 1.8 5.0 1021 860 A 35 PHE HE% A 58 GLN HE22 1.0 1.8 6.0 1022 860 A 35 PHE HE% A 58 GLN HE21 1.0 1.8 6.0 1023 861 A 35 PHE HE% A 58 GLN H 1.0 1.8 5.0 1024 862 A 35 PHE HE% A 83 VAL HA 1.0 1.8 6.0 1025 863 A 35 PHE HE% A 83 VAL HB 1.0 1.8 6.0 1026 864 A 35 PHE HE% A 83 VAL HG1% 1.0 1.8 5.0 1027 865 A 85 VAL HG2% A 35 PHE HE% 1.0 1.8 5.0 1028 866 A 35 PHE H A 35 PHE HD% 1.0 1.8 5.0 1029 867 A 35 PHE H A 35 PHE HE% 1.0 1.8 5.0 1030 868 A 35 PHE H A 36 THR H 1.0 1.8 5.0 1031 869 A 35 PHE HZ A 83 VAL HG1% 1.0 1.8 5.0 1032 870 A 35 PHE HZ A 83 VAL HG2% 1.0 1.8 5.0 1033 871 A 85 VAL HG2% A 35 PHE HZ 1.0 1.8 5.0 1034 872 A 35 PHE HZ A 94 GLN HGx 1.0 1.8 6.0 1035 872 A 35 PHE HZ A 94 GLN HGy 1.0 1.8 6.0 1036 873 A 36 THR HG2% A 36 THR HA 1.0 1.8 3.5 1037 874 A 36 THR HA A 37 GLN HA 1.0 1.8 5.0 1038 875 A 36 THR HA A 37 GLN HBy 1.0 1.8 6.0 1039 875 A 36 THR HA A 37 GLN HBx 1.0 1.8 6.0 1040 876 A 36 THR HA A 90 PHE HE% 1.0 1.8 6.0 1041 877 A 36 THR HB A 37 GLN H 1.0 1.8 5.0 1042 878 A 36 THR HG2% A 37 GLN H 1.0 1.8 3.5 1043 879 A 38 SER HA A 36 THR HG2% 1.0 1.8 5.0 1044 880 A 36 THR HG2% A 38 SER H 1.0 1.8 5.0 1045 881 A 36 THR HB A 36 THR H 1.0 1.8 3.5 1046 882 A 36 THR H A 56 LEU HD1% 1.0 1.8 5.0 1047 882 A 36 THR H A 56 LEU HD2% 1.0 1.8 5.0 1048 883 A 37 GLN HA A 38 SER HBx 1.0 1.8 5.0 1049 883 A 38 SER HBy A 37 GLN HA 1.0 1.8 5.0 1050 884 A 37 GLN HA A 38 SER H 1.0 1.8 3.5 1051 885 A 37 GLN HA A 54 TRP HE1 1.0 1.8 5.0 1052 886 A 37 GLN HA A 56 LEU HD1% 1.0 1.8 5.0 1053 886 A 56 LEU HD2% A 37 GLN HA 1.0 1.8 5.0 1054 887 A 90 PHE HE% A 37 GLN HBy 1.0 1.8 5.0 1055 887 A 90 PHE HE% A 37 GLN HBx 1.0 1.8 5.0 1056 888 A 38 SER H A 37 GLN HBy 1.0 1.8 5.0 1057 889 A 37 GLN HBx A 38 SER H 1.0 1.8 5.0 1058 890 A 54 TRP HE1 A 37 GLN HE2y 1.0 1.8 6.0 1059 890 A 54 TRP HE1 A 37 GLN HE2x 1.0 1.8 6.0 1060 891 A 38 SER H A 37 GLN HGy 1.0 1.8 5.0 1061 891 A 37 GLN HGx A 38 SER H 1.0 1.8 5.0 1062 892 A 90 PHE HE% A 37 GLN H 1.0 1.8 5.0 1063 893 A 39 GLY H A 38 SER HA 1.0 1.8 3.5 1064 894 A 50 TRP HZ3 A 38 SER HA 1.0 1.8 5.0 1065 895 A 39 GLY HAx A 38 SER HBx 1.0 1.8 5.0 1066 895 A 39 GLY HAx A 38 SER HBy 1.0 1.8 5.0 1067 896 A 39 GLY H A 38 SER HBx 1.0 1.8 3.5 1068 896 A 39 GLY H A 38 SER HBy 1.0 1.8 3.5 1069 897 A 38 SER H A 38 SER HBx 1.0 1.8 3.5 1070 897 A 38 SER HBy A 38 SER H 1.0 1.8 3.5 1071 898 A 38 SER H A 54 TRP HE1 1.0 1.8 5.0 1072 899 A 40 LYS H A 39 GLY HAy 1.0 1.8 3.5 1073 900 A 39 GLY HAy A 49 ILE H 1.0 1.8 6.0 1074 901 A 39 GLY HAy A 50 TRP HZ3 1.0 1.8 5.0 1075 902 A 39 GLY HAy A 51 ASP H 1.0 1.8 6.0 1076 903 A 39 GLY HAx A 40 LYS HGx 1.0 1.8 5.0 1077 903 A 40 LYS HGy A 39 GLY HAx 1.0 1.8 5.0 1078 904 A 40 LYS H A 39 GLY HAx 1.0 1.8 3.5 1079 905 A 39 GLY HAx A 51 ASP HBx 1.0 1.8 6.0 1080 905 A 39 GLY HAx A 51 ASP HBy 1.0 1.8 6.0 1081 906 A 39 GLY HAx A 51 ASP H 1.0 1.8 5.0 1082 907 A 39 GLY H A 40 LYS HA 1.0 1.8 5.0 1083 908 A 39 GLY H A 40 LYS H 1.0 1.8 5.0 1084 909 A 39 GLY H A 50 TRP HZ3 1.0 1.8 5.0 1085 910 A 41 ARG H A 40 LYS HA 1.0 1.8 3.5 1086 911 A 41 ARG H A 40 LYS HBy 1.0 1.8 5.0 1087 912 A 40 LYS HBy A 49 ILE HG2% 1.0 1.8 6.0 1088 913 A 41 ARG H A 40 LYS HBx 1.0 1.8 5.0 1089 914 A 41 ARG H A 40 LYS HDy 1.0 1.8 5.0 1090 915 A 42 ASP H A 40 LYS HDy 1.0 1.8 5.0 1091 916 A 40 LYS HDx A 40 LYS HEx 1.0 1.8 3.5 1092 916 A 40 LYS HDx A 40 LYS HEy 1.0 1.8 3.5 1093 917 A 40 LYS HDx A 48 GLU HA 1.0 1.8 6.0 1094 918 A 40 LYS HDx A 49 ILE HG2% 1.0 1.8 5.0 1095 919 A 40 LYS HDx A 49 ILE H 1.0 1.8 5.0 1096 920 A 49 ILE HB A 40 LYS HEx 1.0 1.8 3.5 1097 920 A 40 LYS HEy A 49 ILE HB 1.0 1.8 3.5 1098 921 A 49 ILE HD1% A 40 LYS HEx 1.0 1.8 5.0 1099 921 A 40 LYS HEy A 49 ILE HD1% 1.0 1.8 5.0 1100 922 A 49 ILE HG1y A 40 LYS HEx 1.0 1.8 5.0 1101 922 A 40 LYS HEy A 49 ILE HG1y 1.0 1.8 5.0 1102 923 A 49 ILE HG2% A 40 LYS HEx 1.0 1.8 3.5 1103 923 A 40 LYS HEy A 49 ILE HG2% 1.0 1.8 3.5 1104 924 A 40 LYS HEx A 40 LYS HGx 1.0 1.8 2.7 1105 924 A 40 LYS HEy A 40 LYS HGx 1.0 1.8 2.7 1106 924 A 40 LYS HGy A 40 LYS HEx 1.0 1.8 2.7 1107 924 A 40 LYS HEy A 40 LYS HGy 1.0 1.8 2.7 1108 925 A 41 ARG H A 40 LYS HGx 1.0 1.8 5.0 1109 925 A 41 ARG H A 40 LYS HGy 1.0 1.8 5.0 1110 926 A 49 ILE HG2% A 40 LYS HGx 1.0 1.8 3.5 1111 926 A 40 LYS HGy A 49 ILE HG2% 1.0 1.8 3.5 1112 927 A 49 ILE H A 40 LYS HGx 1.0 1.8 5.0 1113 927 A 40 LYS HGy A 49 ILE H 1.0 1.8 5.0 1114 928 A 40 LYS HBy A 40 LYS H 1.0 1.8 3.5 1115 929 A 40 LYS HDx A 40 LYS H 1.0 1.8 5.0 1116 930 A 40 LYS H A 40 LYS HGx 1.0 1.8 3.5 1117 930 A 40 LYS HGy A 40 LYS H 1.0 1.8 3.5 1118 931 A 41 ARG HBx A 40 LYS H 1.0 1.8 6.0 1119 932 A 41 ARG H A 40 LYS H 1.0 1.8 5.0 1120 933 A 40 LYS H A 48 GLU HA 1.0 1.8 6.0 1121 934 A 40 LYS H A 49 ILE HB 1.0 1.8 5.0 1122 935 A 40 LYS H A 49 ILE HG2% 1.0 1.8 5.0 1123 936 A 40 LYS H A 49 ILE H 1.0 1.8 5.0 1124 937 A 40 LYS H A 50 TRP HA 1.0 1.8 5.0 1125 938 A 40 LYS H A 50 TRP HE3 1.0 1.8 5.0 1126 939 A 42 ASP HBx A 41 ARG HA 1.0 1.8 5.0 1127 940 A 42 ASP H A 41 ARG HA 1.0 1.8 3.5 1128 941 A 41 ARG HA A 48 GLU HA 1.0 1.8 5.0 1129 942 A 41 ARG HA A 49 ILE H 1.0 1.8 5.0 1130 943 A 41 ARG HBy A 41 ARG HDy 1.0 1.8 5.0 1131 944 A 41 ARG HDx A 41 ARG HBy 1.0 1.8 5.0 1132 945 A 41 ARG HE A 41 ARG HBy 1.0 1.8 5.0 1133 946 A 42 ASP H A 41 ARG HBy 1.0 1.8 5.0 1134 947 A 41 ARG HBy A 48 GLU HGx 1.0 1.8 6.0 1135 948 A 41 ARG HBx A 41 ARG HDy 1.0 1.8 5.0 1136 949 A 41 ARG HE A 41 ARG HBx 1.0 1.8 5.0 1137 950 A 42 ASP H A 41 ARG HBx 1.0 1.8 5.0 1138 951 A 41 ARG HBx A 48 GLU HA 1.0 1.8 6.0 1139 952 A 41 ARG HBx A 48 GLU HGx 1.0 1.8 5.0 1140 953 A 41 ARG HBx A 50 TRP HZ2 1.0 1.8 6.0 1141 954 A 43 LEU HD2% A 41 ARG HDy 1.0 1.8 3.5 1142 955 A 41 ARG HDy A 46 GLY HAy 1.0 1.8 5.0 1143 956 A 41 ARG HDy A 46 GLY HAx 1.0 1.8 6.0 1144 957 A 41 ARG HDy A 46 GLY H 1.0 1.8 6.0 1145 958 A 41 ARG HDx A 43 LEU HA 1.0 1.8 5.0 1146 959 A 43 LEU HD2% A 41 ARG HDx 1.0 1.8 3.5 1147 960 A 41 ARG HDx A 46 GLY HAy 1.0 1.8 6.0 1148 961 A 41 ARG HDx A 46 GLY HAx 1.0 1.8 5.0 1149 962 A 43 LEU HD2% A 41 ARG HE 1.0 1.8 5.0 1150 963 A 41 ARG HE A 48 GLU HGx 1.0 1.8 6.0 1151 964 A 41 ARG HE A 41 ARG HGx 1.0 1.8 3.5 1152 964 A 41 ARG HE A 41 ARG HGy 1.0 1.8 3.5 1153 965 A 42 ASP H A 41 ARG HGx 1.0 1.8 5.0 1154 965 A 42 ASP H A 41 ARG HGy 1.0 1.8 5.0 1155 966 A 46 GLY HAy A 41 ARG HGx 1.0 1.8 5.0 1156 966 A 41 ARG HGy A 46 GLY HAy 1.0 1.8 5.0 1157 967 A 46 GLY HAx A 41 ARG HGx 1.0 1.8 5.0 1158 967 A 41 ARG HGy A 46 GLY HAx 1.0 1.8 5.0 1159 968 A 46 GLY H A 41 ARG HGx 1.0 1.8 5.0 1160 968 A 41 ARG HGy A 46 GLY H 1.0 1.8 5.0 1161 969 A 48 GLU HA A 41 ARG HGx 1.0 1.8 5.0 1162 969 A 41 ARG HGy A 48 GLU HA 1.0 1.8 5.0 1163 970 A 48 GLU HGy A 41 ARG HGx 1.0 1.8 5.0 1164 970 A 41 ARG HGy A 48 GLU HGy 1.0 1.8 5.0 1165 971 A 41 ARG H A 41 ARG HBy 1.0 1.8 3.5 1166 972 A 41 ARG H A 41 ARG HBx 1.0 1.8 3.5 1167 973 A 41 ARG H A 41 ARG HGx 1.0 1.8 5.0 1168 973 A 41 ARG H A 41 ARG HGy 1.0 1.8 5.0 1169 974 A 41 ARG H A 42 ASP H 1.0 1.8 5.0 1170 975 A 42 ASP HA A 43 LEU H 1.0 1.8 3.5 1171 976 A 42 ASP HA A 44 THR H 1.0 1.8 5.0 1172 977 A 42 ASP HA A 45 ASN H 1.0 1.8 5.0 1173 978 A 42 ASP HA A 47 LYS HDx 1.0 1.8 6.0 1174 978 A 42 ASP HA A 47 LYS HDy 1.0 1.8 6.0 1175 979 A 43 LEU H A 42 ASP HBy 1.0 1.8 5.0 1176 980 A 44 THR HG2% A 42 ASP HBy 1.0 1.8 5.0 1177 981 A 42 ASP HBy A 44 THR H 1.0 1.8 5.0 1178 982 A 42 ASP HBy A 45 ASN H 1.0 1.8 5.0 1179 983 A 42 ASP HBy A 46 GLY H 1.0 1.8 5.0 1180 984 A 42 ASP HBy A 47 LYS HBx 1.0 1.8 5.0 1181 984 A 42 ASP HBy A 47 LYS HBy 1.0 1.8 5.0 1182 985 A 42 ASP HBy A 47 LYS HGx 1.0 1.8 5.0 1183 985 A 42 ASP HBy A 47 LYS HGy 1.0 1.8 5.0 1184 986 A 42 ASP HBy A 47 LYS H 1.0 1.8 5.0 1185 987 A 43 LEU H A 42 ASP HBx 1.0 1.8 5.0 1186 988 A 44 THR HG2% A 42 ASP HBx 1.0 1.8 5.0 1187 989 A 42 ASP HBx A 44 THR H 1.0 1.8 5.0 1188 990 A 42 ASP HBx A 45 ASN HBy 1.0 1.8 5.0 1189 990 A 42 ASP HBx A 45 ASN HBx 1.0 1.8 5.0 1190 991 A 42 ASP HBx A 45 ASN H 1.0 1.8 5.0 1191 992 A 42 ASP HBx A 46 GLY H 1.0 1.8 5.0 1192 993 A 42 ASP HBx A 47 LYS HBx 1.0 1.8 5.0 1193 993 A 42 ASP HBx A 47 LYS HBy 1.0 1.8 5.0 1194 994 A 42 ASP HBx A 47 LYS HDx 1.0 1.8 5.0 1195 994 A 42 ASP HBx A 47 LYS HDy 1.0 1.8 5.0 1196 995 A 42 ASP HBx A 47 LYS HGx 1.0 1.8 5.0 1197 995 A 42 ASP HBx A 47 LYS HGy 1.0 1.8 5.0 1198 996 A 42 ASP HBx A 47 LYS H 1.0 1.8 5.0 1199 997 A 42 ASP HBx A 49 ILE HD1% 1.0 1.8 5.0 1200 998 A 42 ASP H A 45 ASN H 1.0 1.8 6.0 1201 999 A 42 ASP H A 46 GLY H 1.0 1.8 5.0 1202 1000 A 42 ASP H A 47 LYS HBx 1.0 1.8 5.0 1203 1000 A 42 ASP H A 47 LYS HBy 1.0 1.8 5.0 1204 1001 A 42 ASP H A 47 LYS HGx 1.0 1.8 5.0 1205 1001 A 42 ASP H A 47 LYS HGy 1.0 1.8 5.0 1206 1002 A 42 ASP H A 47 LYS H 1.0 1.8 5.0 1207 1003 A 42 ASP H A 48 GLU HA 1.0 1.8 5.0 1208 1004 A 42 ASP H A 49 ILE HD1% 1.0 1.8 5.0 1209 1005 A 42 ASP H A 49 ILE H 1.0 1.8 5.0 1210 1006 A 43 LEU HD1% A 43 LEU HA 1.0 1.8 5.0 1211 1007 A 43 LEU HD2% A 43 LEU HA 1.0 1.8 2.7 1212 1008 A 43 LEU HA A 46 GLY HAx 1.0 1.8 5.0 1213 1009 A 43 LEU HA A 46 GLY H 1.0 1.8 5.0 1214 1010 A 43 LEU HBy A 43 LEU HD1% 1.0 1.8 3.5 1215 1011 A 43 LEU HBy A 43 LEU HD2% 1.0 1.8 3.5 1216 1012 A 43 LEU HBy A 44 THR HA 1.0 1.8 5.0 1217 1013 A 43 LEU HBy A 44 THR HB 1.0 1.8 6.0 1218 1014 A 43 LEU HBy A 44 THR H 1.0 1.8 5.0 1219 1015 A 43 LEU HBx A 43 LEU HD1% 1.0 1.8 3.5 1220 1016 A 43 LEU HBx A 43 LEU HD2% 1.0 1.8 3.5 1221 1017 A 43 LEU HBx A 44 THR HA 1.0 1.8 6.0 1222 1018 A 43 LEU HBx A 44 THR HG2% 1.0 1.8 6.0 1223 1019 A 43 LEU HBx A 44 THR H 1.0 1.8 5.0 1224 1020 A 43 LEU HD2% A 44 THR H 1.0 1.8 5.0 1225 1021 A 43 LEU HD2% A 46 GLY H 1.0 1.8 6.0 1226 1022 A 43 LEU HG A 44 THR H 1.0 1.8 6.0 1227 1023 A 43 LEU HBx A 43 LEU H 1.0 1.8 3.5 1228 1024 A 43 LEU HD1% A 43 LEU H 1.0 1.8 5.0 1229 1025 A 43 LEU HD2% A 43 LEU H 1.0 1.8 3.5 1230 1026 A 43 LEU HG A 43 LEU H 1.0 1.8 3.5 1231 1027 A 44 THR HG2% A 43 LEU H 1.0 1.8 5.0 1232 1028 A 43 LEU H A 44 THR H 1.0 1.8 3.5 1233 1029 A 43 LEU H A 45 ASN H 1.0 1.8 5.0 1234 1030 A 43 LEU H A 46 GLY H 1.0 1.8 5.0 1235 1031 A 44 THR HG2% A 44 THR HA 1.0 1.8 3.5 1236 1032 A 46 GLY H A 44 THR HA 1.0 1.8 6.0 1237 1033 A 45 ASN H A 44 THR HB 1.0 1.8 5.0 1238 1034 A 44 THR HG2% A 45 ASN HBy 1.0 1.8 5.0 1239 1034 A 44 THR HG2% A 45 ASN HBx 1.0 1.8 5.0 1240 1035 A 44 THR HG2% A 45 ASN H 1.0 1.8 3.5 1241 1036 A 44 THR HG2% A 46 GLY H 1.0 1.8 5.0 1242 1037 A 44 THR H A 44 THR HB 1.0 1.8 3.5 1243 1038 A 44 THR HG2% A 44 THR H 1.0 1.8 3.5 1244 1039 A 44 THR H A 45 ASN H 1.0 1.8 3.5 1245 1040 A 46 GLY HAx A 44 THR H 1.0 1.8 6.0 1246 1041 A 46 GLY H A 44 THR H 1.0 1.8 3.5 1247 1042 A 44 THR H A 47 LYS H 1.0 1.8 6.0 1248 1043 A 45 ASN HBx A 47 LYS HBx 1.0 1.8 6.0 1249 1043 A 45 ASN HBy A 47 LYS HBx 1.0 1.8 6.0 1250 1043 A 47 LYS HBy A 45 ASN HBy 1.0 1.8 6.0 1251 1043 A 47 LYS HBy A 45 ASN HBx 1.0 1.8 6.0 1252 1044 A 45 ASN HBx A 47 LYS HDx 1.0 1.8 3.5 1253 1044 A 45 ASN HBy A 47 LYS HDx 1.0 1.8 3.5 1254 1044 A 47 LYS HDy A 45 ASN HBy 1.0 1.8 3.5 1255 1044 A 47 LYS HDy A 45 ASN HBx 1.0 1.8 3.5 1256 1045 A 45 ASN HBy A 47 LYS HGx 1.0 1.8 5.0 1257 1045 A 45 ASN HBx A 47 LYS HGx 1.0 1.8 5.0 1258 1045 A 47 LYS HGy A 45 ASN HBy 1.0 1.8 5.0 1259 1045 A 47 LYS HGy A 45 ASN HBx 1.0 1.8 5.0 1260 1046 A 46 GLY H A 45 ASN HBy 1.0 1.8 5.0 1261 1047 A 46 GLY H A 45 ASN HBx 1.0 1.8 5.0 1262 1048 A 45 ASN HD21 A 47 LYS HBx 1.0 1.8 5.0 1263 1048 A 47 LYS HBy A 45 ASN HD21 1.0 1.8 5.0 1264 1049 A 45 ASN HD21 A 47 LYS HDx 1.0 1.8 5.0 1265 1049 A 47 LYS HDy A 45 ASN HD21 1.0 1.8 5.0 1266 1050 A 45 ASN HD21 A 47 LYS HEx 1.0 1.8 5.0 1267 1050 A 45 ASN HD21 A 47 LYS HEy 1.0 1.8 5.0 1268 1051 A 45 ASN HD21 A 47 LYS HGx 1.0 1.8 5.0 1269 1051 A 47 LYS HGy A 45 ASN HD21 1.0 1.8 5.0 1270 1052 A 47 LYS H A 45 ASN HD21 1.0 1.8 5.0 1271 1053 A 45 ASN HD22 A 47 LYS HBx 1.0 1.8 5.0 1272 1053 A 47 LYS HBy A 45 ASN HD22 1.0 1.8 5.0 1273 1054 A 45 ASN HD22 A 47 LYS HDx 1.0 1.8 5.0 1274 1054 A 47 LYS HDy A 45 ASN HD22 1.0 1.8 5.0 1275 1055 A 45 ASN HD22 A 47 LYS HGx 1.0 1.8 5.0 1276 1055 A 47 LYS HGy A 45 ASN HD22 1.0 1.8 5.0 1277 1056 A 45 ASN H A 45 ASN HD21 1.0 1.8 5.0 1278 1057 A 45 ASN H A 45 ASN HD22 1.0 1.8 6.0 1279 1058 A 46 GLY HAy A 45 ASN H 1.0 1.8 5.0 1280 1059 A 46 GLY HAx A 45 ASN H 1.0 1.8 5.0 1281 1060 A 46 GLY H A 45 ASN H 1.0 1.8 2.7 1282 1061 A 45 ASN H A 47 LYS HBx 1.0 1.8 6.0 1283 1061 A 45 ASN H A 47 LYS HBy 1.0 1.8 6.0 1284 1062 A 45 ASN H A 47 LYS H 1.0 1.8 5.0 1285 1063 A 46 GLY HAy A 47 LYS HBx 1.0 1.8 6.0 1286 1063 A 46 GLY HAy A 47 LYS HBy 1.0 1.8 6.0 1287 1064 A 46 GLY HAx A 47 LYS HBx 1.0 1.8 6.0 1288 1064 A 46 GLY HAx A 47 LYS HBy 1.0 1.8 6.0 1289 1065 A 46 GLY H A 47 LYS HBx 1.0 1.8 5.0 1290 1065 A 46 GLY H A 47 LYS HBy 1.0 1.8 5.0 1291 1066 A 46 GLY H A 47 LYS HDx 1.0 1.8 6.0 1292 1066 A 46 GLY H A 47 LYS HDy 1.0 1.8 6.0 1293 1067 A 46 GLY H A 47 LYS H 1.0 1.8 3.5 1294 1068 A 47 LYS HA A 47 LYS HDx 1.0 1.8 5.0 1295 1068 A 47 LYS HDy A 47 LYS HA 1.0 1.8 5.0 1296 1069 A 47 LYS HA A 47 LYS HEx 1.0 1.8 5.0 1297 1069 A 47 LYS HEy A 47 LYS HA 1.0 1.8 5.0 1298 1070 A 47 LYS HA A 47 LYS HGx 1.0 1.8 3.5 1299 1070 A 47 LYS HGy A 47 LYS HA 1.0 1.8 3.5 1300 1071 A 48 GLU HGy A 47 LYS HA 1.0 1.8 5.0 1301 1072 A 47 LYS HA A 48 GLU H 1.0 1.8 2.7 1302 1073 A 47 LYS HBx A 47 LYS HEx 1.0 1.8 5.0 1303 1073 A 47 LYS HBy A 47 LYS HEx 1.0 1.8 5.0 1304 1073 A 47 LYS HEy A 47 LYS HBx 1.0 1.8 5.0 1305 1073 A 47 LYS HBy A 47 LYS HEy 1.0 1.8 5.0 1306 1074 A 48 GLU H A 47 LYS HBx 1.0 1.8 3.5 1307 1074 A 47 LYS HBy A 48 GLU H 1.0 1.8 3.5 1308 1075 A 49 ILE HD1% A 47 LYS HBx 1.0 1.8 3.5 1309 1075 A 49 ILE HD1% A 47 LYS HBy 1.0 1.8 3.5 1310 1076 A 49 ILE HD1% A 47 LYS HDx 1.0 1.8 3.5 1311 1076 A 49 ILE HD1% A 47 LYS HDy 1.0 1.8 3.5 1312 1077 A 49 ILE HA A 47 LYS HEx 1.0 1.8 6.0 1313 1077 A 47 LYS HEy A 49 ILE HA 1.0 1.8 6.0 1314 1078 A 49 ILE HG1x A 47 LYS HEx 1.0 1.8 5.0 1315 1078 A 47 LYS HEy A 49 ILE HG1x 1.0 1.8 5.0 1316 1079 A 47 LYS HEx A 47 LYS HGx 1.0 1.8 2.7 1317 1079 A 47 LYS HEy A 47 LYS HGx 1.0 1.8 2.7 1318 1079 A 47 LYS HGy A 47 LYS HEx 1.0 1.8 2.7 1319 1079 A 47 LYS HGy A 47 LYS HEy 1.0 1.8 2.7 1320 1080 A 48 GLU HA A 47 LYS HGx 1.0 1.8 5.0 1321 1080 A 48 GLU HA A 47 LYS HGy 1.0 1.8 5.0 1322 1081 A 48 GLU HBx A 47 LYS HGx 1.0 1.8 6.0 1323 1081 A 48 GLU HBx A 47 LYS HGy 1.0 1.8 6.0 1324 1082 A 48 GLU H A 47 LYS HGx 1.0 1.8 5.0 1325 1082 A 47 LYS HGy A 48 GLU H 1.0 1.8 5.0 1326 1083 A 49 ILE HD1% A 47 LYS HGx 1.0 1.8 2.7 1327 1083 A 49 ILE HD1% A 47 LYS HGy 1.0 1.8 2.7 1328 1084 A 49 ILE H A 47 LYS HGx 1.0 1.8 5.0 1329 1084 A 49 ILE H A 47 LYS HGy 1.0 1.8 5.0 1330 1085 A 47 LYS H A 47 LYS HBx 1.0 1.8 3.5 1331 1085 A 47 LYS HBy A 47 LYS H 1.0 1.8 3.5 1332 1086 A 47 LYS H A 47 LYS HDx 1.0 1.8 5.0 1333 1086 A 47 LYS HDy A 47 LYS H 1.0 1.8 5.0 1334 1087 A 47 LYS H A 47 LYS HEx 1.0 1.8 5.0 1335 1087 A 47 LYS H A 47 LYS HEy 1.0 1.8 5.0 1336 1088 A 47 LYS H A 47 LYS HGx 1.0 1.8 3.5 1337 1088 A 47 LYS HGy A 47 LYS H 1.0 1.8 3.5 1338 1089 A 48 GLU HA A 49 ILE HB 1.0 1.8 5.0 1339 1090 A 48 GLU HA A 49 ILE HD1% 1.0 1.8 5.0 1340 1091 A 48 GLU HA A 49 ILE H 1.0 1.8 3.5 1341 1092 A 48 GLU HA A 50 TRP HE1 1.0 1.8 5.0 1342 1093 A 48 GLU HBy A 50 TRP HE1 1.0 1.8 3.5 1343 1094 A 48 GLU HBx A 49 ILE H 1.0 1.8 5.0 1344 1095 A 48 GLU HBx A 50 TRP HE1 1.0 1.8 3.5 1345 1096 A 48 GLU HBx A 50 TRP HZ2 1.0 1.8 5.0 1346 1097 A 48 GLU HGy A 49 ILE H 1.0 1.8 5.0 1347 1098 A 48 GLU HGy A 50 TRP HE1 1.0 1.8 6.0 1348 1099 A 48 GLU HGx A 49 ILE H 1.0 1.8 5.0 1349 1100 A 48 GLU HGx A 50 TRP HE1 1.0 1.8 5.0 1350 1101 A 48 GLU HBx A 48 GLU H 1.0 1.8 2.7 1351 1102 A 48 GLU HGy A 48 GLU H 1.0 1.8 5.0 1352 1103 A 48 GLU HGx A 48 GLU H 1.0 1.8 5.0 1353 1104 A 49 ILE H A 48 GLU H 1.0 1.8 5.0 1354 1105 A 50 TRP HE1 A 48 GLU H 1.0 1.8 5.0 1355 1106 A 49 ILE HD1% A 49 ILE HA 1.0 1.8 3.5 1356 1107 A 49 ILE HG2% A 49 ILE HA 1.0 1.8 3.5 1357 1108 A 49 ILE HA A 50 TRP HBy 1.0 1.8 6.0 1358 1109 A 49 ILE HA A 50 TRP HBx 1.0 1.8 5.0 1359 1110 A 49 ILE HA A 50 TRP HD1 1.0 1.8 5.0 1360 1111 A 49 ILE HA A 50 TRP H 1.0 1.8 3.5 1361 1112 A 49 ILE HB A 49 ILE HD1% 1.0 1.8 3.5 1362 1113 A 49 ILE HB A 50 TRP H 1.0 1.8 5.0 1363 1114 A 49 ILE HD1% A 50 TRP H 1.0 1.8 5.0 1364 1115 A 49 ILE HG1y A 50 TRP H 1.0 1.8 5.0 1365 1116 A 49 ILE HG1x A 50 TRP H 1.0 1.8 6.0 1366 1117 A 49 ILE HG2% A 49 ILE HD1% 1.0 1.8 3.5 1367 1118 A 49 ILE HG2% A 49 ILE HG1y 1.0 1.8 3.5 1368 1119 A 49 ILE HG2% A 49 ILE HG1x 1.0 1.8 3.5 1369 1120 A 49 ILE HG2% A 50 TRP H 1.0 1.8 3.5 1370 1121 A 49 ILE H A 49 ILE HB 1.0 1.8 3.5 1371 1122 A 49 ILE H A 49 ILE HD1% 1.0 1.8 3.5 1372 1123 A 49 ILE H A 49 ILE HG1y 1.0 1.8 5.0 1373 1124 A 49 ILE H A 49 ILE HG1x 1.0 1.8 5.0 1374 1125 A 49 ILE H A 50 TRP H 1.0 1.8 5.0 1375 1126 A 50 TRP HA A 50 TRP HD1 1.0 1.8 5.0 1376 1127 A 51 ASP H A 50 TRP HA 1.0 1.8 3.5 1377 1128 A 51 ASP H A 50 TRP HBy 1.0 1.8 3.5 1378 1129 A 50 TRP HBx A 50 TRP HD1 1.0 1.8 5.0 1379 1130 A 50 TRP HE1 A 50 TRP HBx 1.0 1.8 5.0 1380 1131 A 51 ASP H A 50 TRP HBx 1.0 1.8 5.0 1381 1132 A 50 TRP HE3 A 51 ASP H 1.0 1.8 5.0 1382 1133 A 50 TRP HBx A 50 TRP H 1.0 1.8 3.5 1383 1134 A 50 TRP HD1 A 50 TRP H 1.0 1.8 5.0 1384 1135 A 50 TRP HE1 A 50 TRP H 1.0 1.8 6.0 1385 1136 A 50 TRP HE3 A 50 TRP H 1.0 1.8 6.0 1386 1137 A 51 ASP H A 50 TRP H 1.0 1.8 5.0 1387 1138 A 53 LYS H A 51 ASP HBx 1.0 1.8 6.0 1388 1138 A 51 ASP HBy A 53 LYS H 1.0 1.8 6.0 1389 1139 A 51 ASP HBx A 54 TRP HBx 1.0 1.8 6.0 1390 1139 A 51 ASP HBy A 54 TRP HBx 1.0 1.8 6.0 1391 1139 A 54 TRP HBy A 51 ASP HBx 1.0 1.8 6.0 1392 1139 A 51 ASP HBy A 54 TRP HBy 1.0 1.8 6.0 1393 1140 A 54 TRP H A 51 ASP HBx 1.0 1.8 5.0 1394 1140 A 51 ASP HBy A 54 TRP H 1.0 1.8 5.0 1395 1141 A 54 TRP H A 52 SER HA 1.0 1.8 5.0 1396 1142 A 52 SER HBy A 53 LYS HGy 1.0 1.8 5.0 1397 1142 A 53 LYS HGx A 52 SER HBx 1.0 1.8 5.0 1398 1142 A 52 SER HBy A 53 LYS HGx 1.0 1.8 5.0 1399 1142 A 52 SER HBx A 53 LYS HGy 1.0 1.8 5.0 1400 1143 A 53 LYS H A 52 SER HBy 1.0 1.8 5.0 1401 1144 A 53 LYS H A 52 SER HBx 1.0 1.8 5.0 1402 1145 A 52 SER H A 52 SER HBx 1.0 1.8 3.5 1403 1145 A 52 SER HBy A 52 SER H 1.0 1.8 3.5 1404 1146 A 53 LYS H A 52 SER H 1.0 1.8 5.0 1405 1147 A 54 TRP H A 52 SER H 1.0 1.8 5.0 1406 1148 A 53 LYS HA A 53 LYS HDy 1.0 1.8 6.0 1407 1149 A 53 LYS HA A 53 LYS HDx 1.0 1.8 6.0 1408 1150 A 53 LYS HA A 53 LYS HGy 1.0 1.8 3.5 1409 1151 A 53 LYS HGx A 53 LYS HA 1.0 1.8 3.5 1410 1152 A 54 TRP H A 53 LYS HA 1.0 1.8 3.5 1411 1153 A 53 LYS HA A 88 LYS HDx 1.0 1.8 6.0 1412 1153 A 53 LYS HA A 88 LYS HDy 1.0 1.8 6.0 1413 1154 A 54 TRP H A 53 LYS HBy 1.0 1.8 5.0 1414 1155 A 54 TRP H A 53 LYS HBx 1.0 1.8 5.0 1415 1156 A 53 LYS HEx A 53 LYS HGy 1.0 1.8 3.5 1416 1156 A 53 LYS HEy A 53 LYS HGy 1.0 1.8 3.5 1417 1156 A 53 LYS HGx A 53 LYS HEx 1.0 1.8 3.5 1418 1156 A 53 LYS HGx A 53 LYS HEy 1.0 1.8 3.5 1419 1157 A 54 TRP H A 53 LYS HGy 1.0 1.8 5.0 1420 1157 A 54 TRP H A 53 LYS HGx 1.0 1.8 5.0 1421 1158 A 53 LYS H A 53 LYS HBy 1.0 1.8 3.5 1422 1158 A 53 LYS H A 53 LYS HBx 1.0 1.8 3.5 1423 1159 A 53 LYS H A 53 LYS HDy 1.0 1.8 5.0 1424 1160 A 53 LYS H A 53 LYS HDx 1.0 1.8 5.0 1425 1161 A 53 LYS H A 53 LYS HEx 1.0 1.8 5.0 1426 1161 A 53 LYS H A 53 LYS HEy 1.0 1.8 5.0 1427 1162 A 53 LYS H A 53 LYS HGy 1.0 1.8 3.5 1428 1162 A 53 LYS H A 53 LYS HGx 1.0 1.8 3.5 1429 1163 A 53 LYS H A 54 TRP HBx 1.0 1.8 5.0 1430 1163 A 53 LYS H A 54 TRP HBy 1.0 1.8 5.0 1431 1164 A 53 LYS H A 54 TRP H 1.0 1.8 3.5 1432 1165 A 54 TRP HA A 54 TRP HD1 1.0 1.8 5.0 1433 1166 A 54 TRP HE1 A 54 TRP HA 1.0 1.8 6.0 1434 1167 A 54 TRP HA A 55 SER HBy 1.0 1.8 6.0 1435 1168 A 54 TRP HA A 55 SER HBx 1.0 1.8 6.0 1436 1169 A 54 TRP HA A 55 SER H 1.0 1.8 3.5 1437 1170 A 54 TRP HD1 A 54 TRP HBx 1.0 1.8 5.0 1438 1170 A 54 TRP HBy A 54 TRP HD1 1.0 1.8 5.0 1439 1171 A 55 SER HA A 54 TRP HBx 1.0 1.8 5.0 1440 1171 A 54 TRP HBy A 55 SER HA 1.0 1.8 5.0 1441 1172 A 54 TRP HBx A 87 SER HBx 1.0 1.8 5.0 1442 1172 A 54 TRP HBy A 87 SER HBx 1.0 1.8 5.0 1443 1172 A 87 SER HBy A 54 TRP HBx 1.0 1.8 5.0 1444 1172 A 54 TRP HBy A 87 SER HBy 1.0 1.8 5.0 1445 1173 A 54 TRP HD1 A 55 SER H 1.0 1.8 5.0 1446 1174 A 54 TRP HD1 A 56 LEU HD1% 1.0 1.8 5.0 1447 1174 A 56 LEU HD2% A 54 TRP HD1 1.0 1.8 5.0 1448 1175 A 54 TRP HE1 A 55 SER H 1.0 1.8 6.0 1449 1176 A 54 TRP HE1 A 56 LEU HA 1.0 1.8 6.0 1450 1177 A 54 TRP HE1 A 56 LEU HD1% 1.0 1.8 3.5 1451 1177 A 56 LEU HD2% A 54 TRP HE1 1.0 1.8 3.5 1452 1178 A 54 TRP H A 54 TRP HBx 1.0 1.8 3.5 1453 1178 A 54 TRP HBy A 54 TRP H 1.0 1.8 3.5 1454 1179 A 54 TRP H A 55 SER HBy 1.0 1.8 6.0 1455 1180 A 54 TRP H A 55 SER H 1.0 1.8 5.0 1456 1181 A 54 TRP H A 87 SER HBx 1.0 1.8 5.0 1457 1181 A 54 TRP H A 87 SER HBy 1.0 1.8 5.0 1458 1182 A 54 TRP HZ2 A 56 LEU HD1% 1.0 1.8 5.0 1459 1182 A 56 LEU HD2% A 54 TRP HZ2 1.0 1.8 5.0 1460 1183 A 56 LEU H A 55 SER HA 1.0 1.8 3.5 1461 1184 A 55 SER HA A 84 THR HG2% 1.0 1.8 5.0 1462 1185 A 55 SER HA A 86 ASP HA 1.0 1.8 5.0 1463 1186 A 55 SER HA A 86 ASP HBy 1.0 1.8 5.0 1464 1186 A 55 SER HA A 86 ASP HBx 1.0 1.8 5.0 1465 1187 A 55 SER HA A 86 ASP H 1.0 1.8 5.0 1466 1188 A 55 SER HA A 87 SER H 1.0 1.8 5.0 1467 1189 A 56 LEU H A 55 SER HBy 1.0 1.8 5.0 1468 1190 A 55 SER HBy A 84 THR HG2% 1.0 1.8 5.0 1469 1191 A 55 SER HBy A 86 ASP HBy 1.0 1.8 5.0 1470 1191 A 55 SER HBy A 86 ASP HBx 1.0 1.8 5.0 1471 1192 A 55 SER HBy A 87 SER H 1.0 1.8 5.0 1472 1193 A 56 LEU H A 55 SER HBx 1.0 1.8 5.0 1473 1194 A 55 SER HBx A 84 THR HG2% 1.0 1.8 5.0 1474 1195 A 55 SER HBx A 86 ASP HBy 1.0 1.8 5.0 1475 1195 A 55 SER HBx A 86 ASP HBx 1.0 1.8 5.0 1476 1196 A 55 SER HBx A 87 SER H 1.0 1.8 5.0 1477 1197 A 55 SER H A 56 LEU HBx 1.0 1.8 6.0 1478 1198 A 56 LEU H A 55 SER H 1.0 1.8 5.0 1479 1199 A 56 LEU HA A 56 LEU HD1% 1.0 1.8 3.5 1480 1199 A 56 LEU HD2% A 56 LEU HA 1.0 1.8 3.5 1481 1200 A 56 LEU HA A 57 THR HB 1.0 1.8 6.0 1482 1201 A 56 LEU HA A 57 THR H 1.0 1.8 3.5 1483 1202 A 56 LEU HA A 84 THR HG2% 1.0 1.8 5.0 1484 1203 A 56 LEU HBy A 57 THR H 1.0 1.8 5.0 1485 1204 A 56 LEU HBy A 58 GLN HE22 1.0 1.8 5.0 1486 1204 A 58 GLN HE21 A 56 LEU HBy 1.0 1.8 5.0 1487 1205 A 85 VAL HG2% A 56 LEU HBy 1.0 1.8 6.0 1488 1206 A 57 THR H A 56 LEU HD1% 1.0 1.8 3.5 1489 1206 A 56 LEU HD2% A 57 THR H 1.0 1.8 3.5 1490 1207 A 56 LEU HG A 57 THR H 1.0 1.8 5.0 1491 1208 A 56 LEU HG A 58 GLN HE22 1.0 1.8 5.0 1492 1208 A 58 GLN HE21 A 56 LEU HG 1.0 1.8 5.0 1493 1209 A 56 LEU H A 56 LEU HD1% 1.0 1.8 5.0 1494 1209 A 56 LEU HD2% A 56 LEU H 1.0 1.8 5.0 1495 1210 A 56 LEU HG A 56 LEU H 1.0 1.8 6.0 1496 1211 A 56 LEU H A 84 THR HA 1.0 1.8 6.0 1497 1212 A 56 LEU H A 84 THR HG2% 1.0 1.8 5.0 1498 1213 A 56 LEU H A 85 VAL H 1.0 1.8 5.0 1499 1214 A 56 LEU H A 86 ASP HBy 1.0 1.8 6.0 1500 1214 A 56 LEU H A 86 ASP HBx 1.0 1.8 6.0 1501 1215 A 56 LEU H A 86 ASP H 1.0 1.8 6.0 1502 1216 A 58 GLN H A 57 THR HA 1.0 1.8 3.5 1503 1217 A 84 THR HA A 57 THR HA 1.0 1.8 5.0 1504 1218 A 84 THR HG2% A 57 THR HA 1.0 1.8 5.0 1505 1219 A 85 VAL H A 57 THR HA 1.0 1.8 5.0 1506 1220 A 58 GLN HA A 57 THR HB 1.0 1.8 6.0 1507 1221 A 58 GLN H A 57 THR HB 1.0 1.8 5.0 1508 1222 A 57 THR HB A 82 GLU HBy 1.0 1.8 5.0 1509 1223 A 57 THR HB A 82 GLU HGx 1.0 1.8 6.0 1510 1223 A 57 THR HB A 82 GLU HGy 1.0 1.8 6.0 1511 1224 A 58 GLN H A 57 THR HG2% 1.0 1.8 3.5 1512 1225 A 82 GLU HBy A 57 THR HG2% 1.0 1.8 3.5 1513 1226 A 57 THR HG2% A 82 GLU HGx 1.0 1.8 3.5 1514 1226 A 82 GLU HGy A 57 THR HG2% 1.0 1.8 3.5 1515 1227 A 83 VAL H A 57 THR HG2% 1.0 1.8 5.0 1516 1228 A 84 THR HA A 57 THR HG2% 1.0 1.8 5.0 1517 1229 A 57 THR H A 57 THR HG2% 1.0 1.8 5.0 1518 1230 A 58 GLN H A 57 THR H 1.0 1.8 5.0 1519 1231 A 57 THR H A 84 THR HA 1.0 1.8 6.0 1520 1232 A 58 GLN HA A 59 THR HB 1.0 1.8 5.0 1521 1233 A 58 GLN HA A 59 THR H 1.0 1.8 3.5 1522 1234 A 58 GLN HA A 82 GLU HBy 1.0 1.8 6.0 1523 1235 A 58 GLN HA A 82 GLU HGx 1.0 1.8 6.0 1524 1235 A 58 GLN HA A 82 GLU HGy 1.0 1.8 6.0 1525 1236 A 58 GLN H A 59 THR H 1.0 1.8 5.0 1526 1237 A 58 GLN H A 82 GLU HGx 1.0 1.8 6.0 1527 1237 A 58 GLN H A 82 GLU HGy 1.0 1.8 6.0 1528 1238 A 58 GLN H A 83 VAL HG1% 1.0 1.8 5.0 1529 1239 A 58 GLN H A 83 VAL HG2% 1.0 1.8 5.0 1530 1240 A 58 GLN H A 83 VAL H 1.0 1.8 5.0 1531 1241 A 58 GLN H A 84 THR HA 1.0 1.8 5.0 1532 1242 A 58 GLN H A 84 THR HG2% 1.0 1.8 6.0 1533 1243 A 58 GLN H A 84 THR H 1.0 1.8 5.0 1534 1244 A 58 GLN H A 85 VAL H 1.0 1.8 5.0 1535 1245 A 60 PHE H A 59 THR HA 1.0 1.8 3.5 1536 1246 A 59 THR HA A 82 GLU HGx 1.0 1.8 5.0 1537 1246 A 82 GLU HGy A 59 THR HA 1.0 1.8 5.0 1538 1247 A 83 VAL H A 59 THR HA 1.0 1.8 5.0 1539 1248 A 60 PHE H A 59 THR HB 1.0 1.8 5.0 1540 1249 A 59 THR HB A 82 GLU HA 1.0 1.8 6.0 1541 1250 A 59 THR HB A 82 GLU HGx 1.0 1.8 5.0 1542 1250 A 59 THR HB A 82 GLU HGy 1.0 1.8 5.0 1543 1251 A 60 PHE H A 59 THR HG2% 1.0 1.8 5.0 1544 1252 A 59 THR HG2% A 61 GLU HA 1.0 1.8 5.0 1545 1253 A 59 THR HG2% A 61 GLU HGy 1.0 1.8 5.0 1546 1254 A 59 THR HG2% A 61 GLU HGx 1.0 1.8 5.0 1547 1255 A 61 GLU H A 59 THR HG2% 1.0 1.8 5.0 1548 1256 A 59 THR HG2% A 62 ALA H 1.0 1.8 6.0 1549 1257 A 82 GLU HA A 59 THR HG2% 1.0 1.8 5.0 1550 1258 A 59 THR HG2% A 82 GLU HGx 1.0 1.8 3.5 1551 1258 A 82 GLU HGy A 59 THR HG2% 1.0 1.8 3.5 1552 1259 A 59 THR H A 59 THR HB 1.0 1.8 3.5 1553 1260 A 59 THR H A 59 THR HG2% 1.0 1.8 5.0 1554 1261 A 59 THR H A 60 PHE H 1.0 1.8 5.0 1555 1262 A 59 THR H A 82 GLU HA 1.0 1.8 5.0 1556 1263 A 59 THR H A 82 GLU HBy 1.0 1.8 6.0 1557 1264 A 59 THR H A 82 GLU HGx 1.0 1.8 5.0 1558 1264 A 59 THR H A 82 GLU HGy 1.0 1.8 5.0 1559 1265 A 59 THR H A 83 VAL H 1.0 1.8 5.0 1560 1266 A 60 PHE HA A 61 GLU HBy 1.0 1.8 5.0 1561 1267 A 61 GLU HGx A 60 PHE HA 1.0 1.8 6.0 1562 1268 A 83 VAL HG2% A 60 PHE HBy 1.0 1.8 5.0 1563 1268 A 83 VAL HG2% A 60 PHE HBx 1.0 1.8 5.0 1564 1269 A 61 GLU H A 60 PHE HBy 1.0 1.8 5.0 1565 1270 A 61 GLU H A 60 PHE HBx 1.0 1.8 5.0 1566 1271 A 60 PHE HD% A 83 VAL HA 1.0 1.8 6.0 1567 1272 A 60 PHE HD% A 83 VAL HG1% 1.0 1.8 5.0 1568 1273 A 60 PHE HD% A 83 VAL HG2% 1.0 1.8 3.5 1569 1274 A 60 PHE HE% A 83 VAL HG2% 1.0 1.8 5.0 1570 1275 A 60 PHE H A 61 GLU HGx 1.0 1.8 5.0 1571 1276 A 60 PHE H A 61 GLU H 1.0 1.8 5.0 1572 1277 A 60 PHE H A 82 GLU HA 1.0 1.8 5.0 1573 1278 A 60 PHE H A 83 VAL HG2% 1.0 1.8 5.0 1574 1279 A 61 GLU HA A 62 ALA HB% 1.0 1.8 5.0 1575 1280 A 61 GLU HA A 62 ALA H 1.0 1.8 3.5 1576 1281 A 62 ALA H A 61 GLU HBy 1.0 1.8 5.0 1577 1282 A 61 GLU HBx A 62 ALA HA 1.0 1.8 5.0 1578 1283 A 62 ALA HB% A 61 GLU HBx 1.0 1.8 5.0 1579 1284 A 62 ALA H A 61 GLU HBx 1.0 1.8 5.0 1580 1285 A 61 GLU HGy A 62 ALA HB% 1.0 1.8 5.0 1581 1286 A 61 GLU HGy A 62 ALA H 1.0 1.8 5.0 1582 1287 A 61 GLU HGx A 62 ALA H 1.0 1.8 5.0 1583 1288 A 61 GLU H A 61 GLU HGy 1.0 1.8 5.0 1584 1289 A 61 GLU H A 61 GLU HGx 1.0 1.8 5.0 1585 1290 A 61 GLU H A 62 ALA H 1.0 1.8 5.0 1586 1291 A 62 ALA HA A 63 LEU H 1.0 1.8 3.5 1587 1292 A 62 ALA HA A 77 MET HE% 1.0 1.8 5.0 1588 1293 A 62 ALA HB% A 77 MET HE% 1.0 1.8 5.0 1589 1294 A 62 ALA H A 62 ALA HB% 1.0 1.8 3.5 1590 1295 A 62 ALA H A 63 LEU H 1.0 1.8 5.0 1591 1296 A 62 ALA H A 77 MET HE% 1.0 1.8 5.0 1592 1297 A 63 LEU HD1% A 63 LEU HA 1.0 1.8 3.5 1593 1298 A 63 LEU HA A 64 PRO HDx 1.0 1.8 3.5 1594 1299 A 63 LEU HA A 64 PRO HGx 1.0 1.8 5.0 1595 1299 A 63 LEU HA A 64 PRO HGy 1.0 1.8 5.0 1596 1300 A 63 LEU HA A 64 PRO HGy 1.0 1.8 5.0 1597 1301 A 63 LEU HA A 64 PRO HGx 1.0 1.8 5.0 1598 1302 A 63 LEU HD2% A 63 LEU HBx 1.0 1.8 3.5 1599 1302 A 63 LEU HBy A 63 LEU HD2% 1.0 1.8 3.5 1600 1303 A 64 PRO HDx A 63 LEU HBx 1.0 1.8 5.0 1601 1303 A 63 LEU HBy A 64 PRO HDx 1.0 1.8 5.0 1602 1304 A 78 VAL HB A 63 LEU HBx 1.0 1.8 5.0 1603 1304 A 63 LEU HBy A 78 VAL HB 1.0 1.8 5.0 1604 1305 A 78 VAL HG1% A 63 LEU HBx 1.0 1.8 5.0 1605 1305 A 63 LEU HBy A 78 VAL HG1% 1.0 1.8 5.0 1606 1306 A 63 LEU HD1% A 64 PRO HDy 1.0 1.8 5.0 1607 1307 A 63 LEU HD1% A 64 PRO HDx 1.0 1.8 3.5 1608 1308 A 63 LEU HD1% A 64 PRO HGy 1.0 1.8 5.0 1609 1309 A 63 LEU HD1% A 64 PRO HGx 1.0 1.8 5.0 1610 1310 A 63 LEU HD2% A 64 PRO HDx 1.0 1.8 5.0 1611 1311 A 78 VAL HG1% A 63 LEU HD2% 1.0 1.8 5.0 1612 1312 A 63 LEU H A 64 PRO HDx 1.0 1.8 5.0 1613 1313 A 63 LEU H A 77 MET HE% 1.0 1.8 5.0 1614 1314 A 64 PRO HA A 65 SER HA 1.0 1.8 6.0 1615 1315 A 64 PRO HA A 65 SER H 1.0 1.8 3.5 1616 1316 A 65 SER H A 64 PRO HBx 1.0 1.8 5.0 1617 1317 A 65 SER H A 64 PRO HBy 1.0 1.8 5.0 1618 1318 A 65 SER H A 64 PRO HGx 1.0 1.8 5.0 1619 1318 A 64 PRO HGy A 65 SER H 1.0 1.8 5.0 1620 1319 A 66 PRO HDx A 65 SER HBx 1.0 1.8 5.0 1621 1319 A 65 SER HBy A 66 PRO HDx 1.0 1.8 5.0 1622 1320 A 73 ALA HB% A 65 SER HBx 1.0 1.8 5.0 1623 1320 A 65 SER HBy A 73 ALA HB% 1.0 1.8 5.0 1624 1321 A 76 PRO HA A 65 SER HBx 1.0 1.8 5.0 1625 1321 A 65 SER HBy A 76 PRO HA 1.0 1.8 5.0 1626 1322 A 76 PRO HBx A 65 SER HBx 1.0 1.8 5.0 1627 1322 A 65 SER HBy A 76 PRO HBx 1.0 1.8 5.0 1628 1323 A 100 VAL HG2% A 65 SER HBx 1.0 1.8 5.0 1629 1323 A 100 VAL HG2% A 65 SER HBy 1.0 1.8 5.0 1630 1324 A 73 ALA HB% A 65 SER HG 1.0 1.8 5.0 1631 1325 A 76 PRO HA A 65 SER HG 1.0 1.8 5.0 1632 1326 A 65 SER H A 65 SER HG 1.0 1.8 5.0 1633 1327 A 66 PRO HA A 67 VAL H 1.0 1.8 3.5 1634 1328 A 67 VAL H A 66 PRO HBx 1.0 1.8 5.0 1635 1329 A 68 ILE HD1% A 66 PRO HBx 1.0 1.8 5.0 1636 1330 A 66 PRO HBx A 68 ILE HG1x 1.0 1.8 6.0 1637 1331 A 66 PRO HBy A 67 VAL H 1.0 1.8 5.0 1638 1332 A 68 ILE HD1% A 66 PRO HBy 1.0 1.8 5.0 1639 1333 A 66 PRO HBy A 68 ILE H 1.0 1.8 6.0 1640 1334 A 66 PRO HDx A 73 ALA HB% 1.0 1.8 6.0 1641 1335 A 102 TYR HE% A 66 PRO HDx 1.0 1.8 5.0 1642 1336 A 68 ILE HD1% A 66 PRO HGx 1.0 1.8 5.0 1643 1336 A 68 ILE HD1% A 66 PRO HGy 1.0 1.8 5.0 1644 1337 A 68 ILE HG1y A 66 PRO HGx 1.0 1.8 5.0 1645 1337 A 66 PRO HGy A 68 ILE HG1y 1.0 1.8 5.0 1646 1338 A 102 TYR HD% A 66 PRO HGx 1.0 1.8 5.0 1647 1338 A 102 TYR HD% A 66 PRO HGy 1.0 1.8 5.0 1648 1339 A 67 VAL HA A 67 VAL HG1% 1.0 1.8 3.5 1649 1340 A 67 VAL HA A 67 VAL HG2% 1.0 1.8 3.5 1650 1341 A 67 VAL HA A 68 ILE HB 1.0 1.8 5.0 1651 1342 A 68 ILE HG1y A 67 VAL HA 1.0 1.8 5.0 1652 1343 A 68 ILE HG1x A 67 VAL HA 1.0 1.8 6.0 1653 1344 A 68 ILE H A 67 VAL HA 1.0 1.8 3.5 1654 1345 A 102 TYR HE% A 67 VAL HA 1.0 1.8 6.0 1655 1346 A 68 ILE H A 67 VAL HB 1.0 1.8 5.0 1656 1347 A 67 VAL HG1% A 68 ILE HA 1.0 1.8 5.0 1657 1348 A 67 VAL HG1% A 68 ILE HB 1.0 1.8 6.0 1658 1349 A 68 ILE H A 67 VAL HG1% 1.0 1.8 3.5 1659 1350 A 67 VAL HG1% A 69 ILE HA 1.0 1.8 5.0 1660 1351 A 67 VAL H A 67 VAL HB 1.0 1.8 3.5 1661 1352 A 67 VAL H A 67 VAL HG1% 1.0 1.8 5.0 1662 1353 A 67 VAL H A 67 VAL HG2% 1.0 1.8 3.5 1663 1354 A 67 VAL H A 68 ILE H 1.0 1.8 5.0 1664 1355 A 68 ILE HD1% A 68 ILE HA 1.0 1.8 5.0 1665 1356 A 68 ILE HG2% A 68 ILE HA 1.0 1.8 3.5 1666 1357 A 68 ILE HA A 69 ILE HA 1.0 1.8 5.0 1667 1358 A 68 ILE HA A 69 ILE HB 1.0 1.8 5.0 1668 1359 A 68 ILE HA A 69 ILE HD1% 1.0 1.8 5.0 1669 1360 A 68 ILE HA A 69 ILE HG1x 1.0 1.8 5.0 1670 1361 A 68 ILE HA A 69 ILE H 1.0 1.8 3.5 1671 1362 A 68 ILE HD1% A 68 ILE HB 1.0 1.8 3.5 1672 1363 A 68 ILE HB A 69 ILE HD1% 1.0 1.8 6.0 1673 1364 A 68 ILE HB A 69 ILE H 1.0 1.8 5.0 1674 1365 A 68 ILE HB A 71 TYR HBx 1.0 1.8 6.0 1675 1365 A 71 TYR HBy A 68 ILE HB 1.0 1.8 6.0 1676 1366 A 71 TYR HD% A 68 ILE HB 1.0 1.8 6.0 1677 1367 A 68 ILE HB A 71 TYR H 1.0 1.8 5.0 1678 1368 A 102 TYR HD% A 68 ILE HB 1.0 1.8 6.0 1679 1369 A 102 TYR HE% A 68 ILE HB 1.0 1.8 5.0 1680 1370 A 68 ILE HD1% A 71 TYR HBx 1.0 1.8 5.0 1681 1370 A 68 ILE HD1% A 71 TYR HBy 1.0 1.8 5.0 1682 1371 A 71 TYR HD% A 68 ILE HD1% 1.0 1.8 5.0 1683 1372 A 71 TYR HE% A 68 ILE HD1% 1.0 1.8 5.0 1684 1373 A 68 ILE HD1% A 71 TYR H 1.0 1.8 6.0 1685 1374 A 68 ILE HD1% A 102 TYR HBx 1.0 1.8 5.0 1686 1374 A 102 TYR HBy A 68 ILE HD1% 1.0 1.8 5.0 1687 1375 A 102 TYR HD% A 68 ILE HD1% 1.0 1.8 3.5 1688 1376 A 68 ILE HG1y A 69 ILE H 1.0 1.8 6.0 1689 1377 A 102 TYR HD% A 68 ILE HG1y 1.0 1.8 5.0 1690 1378 A 102 TYR HE% A 68 ILE HG1y 1.0 1.8 6.0 1691 1379 A 68 ILE HG1x A 69 ILE H 1.0 1.8 5.0 1692 1380 A 102 TYR HE% A 68 ILE HG1x 1.0 1.8 6.0 1693 1381 A 68 ILE HG2% A 68 ILE HG1x 1.0 1.8 3.5 1694 1382 A 68 ILE HG2% A 69 ILE HA 1.0 1.8 5.0 1695 1383 A 68 ILE HG2% A 69 ILE HB 1.0 1.8 5.0 1696 1384 A 68 ILE HG2% A 69 ILE H 1.0 1.8 3.5 1697 1385 A 68 ILE HG2% A 70 GLY H 1.0 1.8 5.0 1698 1386 A 68 ILE HG2% A 71 TYR HA 1.0 1.8 5.0 1699 1387 A 68 ILE HG2% A 71 TYR HBx 1.0 1.8 5.0 1700 1387 A 68 ILE HG2% A 71 TYR HBy 1.0 1.8 5.0 1701 1388 A 68 ILE HG2% A 71 TYR HD% 1.0 1.8 3.5 1702 1389 A 68 ILE HG2% A 71 TYR HE% 1.0 1.8 5.0 1703 1390 A 68 ILE HG2% A 71 TYR H 1.0 1.8 5.0 1704 1391 A 102 TYR HD% A 68 ILE HG2% 1.0 1.8 5.0 1705 1392 A 68 ILE HD1% A 68 ILE H 1.0 1.8 5.0 1706 1393 A 68 ILE H A 68 ILE HG1y 1.0 1.8 3.5 1707 1394 A 68 ILE HG1x A 68 ILE H 1.0 1.8 5.0 1708 1395 A 68 ILE H A 69 ILE H 1.0 1.8 5.0 1709 1396 A 102 TYR HE% A 68 ILE H 1.0 1.8 5.0 1710 1397 A 69 ILE HA A 69 ILE HD1% 1.0 1.8 3.5 1711 1398 A 69 ILE HA A 69 ILE HG2% 1.0 1.8 3.5 1712 1399 A 69 ILE HA A 70 GLY HAy 1.0 1.8 5.0 1713 1400 A 69 ILE HA A 70 GLY HAx 1.0 1.8 5.0 1714 1401 A 69 ILE HA A 70 GLY H 1.0 1.8 3.5 1715 1402 A 69 ILE HA A 71 TYR H 1.0 1.8 3.5 1716 1403 A 69 ILE HB A 69 ILE HD1% 1.0 1.8 3.5 1717 1404 A 69 ILE HB A 70 GLY H 1.0 1.8 5.0 1718 1405 A 69 ILE HB A 71 TYR H 1.0 1.8 6.0 1719 1406 A 69 ILE HD1% A 70 GLY H 1.0 1.8 5.0 1720 1407 A 70 GLY H A 69 ILE HG1y 1.0 1.8 6.0 1721 1408 A 69 ILE HG1x A 70 GLY H 1.0 1.8 6.0 1722 1409 A 69 ILE HG2% A 69 ILE HG1y 1.0 1.8 3.5 1723 1410 A 69 ILE HG1x A 69 ILE HG2% 1.0 1.8 3.5 1724 1411 A 69 ILE HG2% A 70 GLY HAy 1.0 1.8 5.0 1725 1412 A 69 ILE HG2% A 70 GLY HAx 1.0 1.8 5.0 1726 1413 A 70 GLY H A 69 ILE HG2% 1.0 1.8 3.5 1727 1414 A 71 TYR HD% A 69 ILE HG2% 1.0 1.8 6.0 1728 1415 A 69 ILE HB A 69 ILE H 1.0 1.8 3.5 1729 1416 A 69 ILE HD1% A 69 ILE H 1.0 1.8 5.0 1730 1417 A 69 ILE H A 69 ILE HG1y 1.0 1.8 5.0 1731 1418 A 69 ILE HG1x A 69 ILE H 1.0 1.8 3.5 1732 1419 A 69 ILE H A 70 GLY H 1.0 1.8 5.0 1733 1420 A 71 TYR HE% A 69 ILE H 1.0 1.8 6.0 1734 1421 A 71 TYR HD% A 70 GLY HAy 1.0 1.8 5.0 1735 1422 A 71 TYR HE% A 70 GLY HAy 1.0 1.8 5.0 1736 1423 A 70 GLY HAy A 105 ASN HBy 1.0 1.8 6.0 1737 1423 A 70 GLY HAy A 105 ASN HBx 1.0 1.8 6.0 1738 1424 A 70 GLY HAy A 105 ASN H 1.0 1.8 5.0 1739 1425 A 71 TYR HD% A 70 GLY HAx 1.0 1.8 5.0 1740 1426 A 71 TYR HE% A 70 GLY HAx 1.0 1.8 6.0 1741 1427 A 71 TYR H A 70 GLY HAx 1.0 1.8 3.5 1742 1428 A 70 GLY HAx A 105 ASN HD21 1.0 1.8 5.0 1743 1428 A 70 GLY HAx A 105 ASN HD22 1.0 1.8 5.0 1744 1429 A 70 GLY HAx A 105 ASN HD21 1.0 1.8 5.0 1745 1430 A 70 GLY HAx A 105 ASN HD22 1.0 1.8 5.0 1746 1431 A 71 TYR H A 70 GLY H 1.0 1.8 3.5 1747 1432 A 70 GLY H A 105 ASN HD21 1.0 1.8 5.0 1748 1432 A 70 GLY H A 105 ASN HD22 1.0 1.8 5.0 1749 1433 A 71 TYR HD% A 71 TYR HA 1.0 1.8 5.0 1750 1434 A 71 TYR HE% A 71 TYR HA 1.0 1.8 5.0 1751 1435 A 71 TYR HA A 72 THR HA 1.0 1.8 6.0 1752 1436 A 71 TYR HA A 72 THR HB 1.0 1.8 6.0 1753 1437 A 71 TYR HA A 72 THR H 1.0 1.8 3.5 1754 1438 A 102 TYR HD% A 71 TYR HA 1.0 1.8 6.0 1755 1439 A 103 SER H A 71 TYR HA 1.0 1.8 5.0 1756 1440 A 71 TYR HA A 104 ALA HA 1.0 1.8 5.0 1757 1441 A 104 ALA HB% A 71 TYR HA 1.0 1.8 5.0 1758 1442 A 104 ALA H A 71 TYR HA 1.0 1.8 5.0 1759 1443 A 71 TYR HA A 105 ASN HA 1.0 1.8 6.0 1760 1444 A 71 TYR HA A 105 ASN HBy 1.0 1.8 5.0 1761 1444 A 71 TYR HA A 105 ASN HBx 1.0 1.8 5.0 1762 1445 A 71 TYR HA A 105 ASN H 1.0 1.8 3.5 1763 1446 A 72 THR H A 71 TYR HBx 1.0 1.8 3.5 1764 1446 A 71 TYR HBy A 72 THR H 1.0 1.8 3.5 1765 1447 A 71 TYR HBx A 102 TYR HBx 1.0 1.8 6.0 1766 1447 A 71 TYR HBy A 102 TYR HBx 1.0 1.8 6.0 1767 1447 A 102 TYR HBy A 71 TYR HBx 1.0 1.8 6.0 1768 1447 A 102 TYR HBy A 71 TYR HBy 1.0 1.8 6.0 1769 1448 A 102 TYR HD% A 71 TYR HBx 1.0 1.8 5.0 1770 1448 A 102 TYR HD% A 71 TYR HBy 1.0 1.8 5.0 1771 1449 A 103 SER H A 71 TYR HBx 1.0 1.8 5.0 1772 1449 A 71 TYR HBy A 103 SER H 1.0 1.8 5.0 1773 1450 A 104 ALA HA A 71 TYR HBx 1.0 1.8 5.0 1774 1450 A 71 TYR HBy A 104 ALA HA 1.0 1.8 5.0 1775 1451 A 71 TYR HBy A 105 ASN HBy 1.0 1.8 6.0 1776 1451 A 71 TYR HBx A 105 ASN HBy 1.0 1.8 6.0 1777 1451 A 105 ASN HBx A 71 TYR HBx 1.0 1.8 6.0 1778 1451 A 71 TYR HBy A 105 ASN HBx 1.0 1.8 6.0 1779 1452 A 105 ASN H A 71 TYR HBx 1.0 1.8 5.0 1780 1452 A 71 TYR HBy A 105 ASN H 1.0 1.8 5.0 1781 1453 A 71 TYR HD% A 72 THR H 1.0 1.8 5.0 1782 1454 A 71 TYR HD% A 102 TYR HA 1.0 1.8 5.0 1783 1455 A 71 TYR HD% A 102 TYR HBx 1.0 1.8 5.0 1784 1455 A 102 TYR HBy A 71 TYR HD% 1.0 1.8 5.0 1785 1456 A 71 TYR HD% A 103 SER HA 1.0 1.8 5.0 1786 1457 A 71 TYR HD% A 103 SER H 1.0 1.8 5.0 1787 1458 A 71 TYR HD% A 104 ALA HA 1.0 1.8 5.0 1788 1459 A 71 TYR HD% A 104 ALA HB% 1.0 1.8 5.0 1789 1460 A 71 TYR HD% A 104 ALA H 1.0 1.8 5.0 1790 1461 A 71 TYR HD% A 105 ASN H 1.0 1.8 5.0 1791 1462 A 71 TYR HE% A 103 SER HA 1.0 1.8 5.0 1792 1463 A 71 TYR HE% A 104 ALA HA 1.0 1.8 5.0 1793 1464 A 71 TYR HE% A 104 ALA HB% 1.0 1.8 5.0 1794 1465 A 71 TYR HE% A 104 ALA H 1.0 1.8 5.0 1795 1466 A 71 TYR H A 71 TYR HBx 1.0 1.8 3.5 1796 1466 A 71 TYR HBy A 71 TYR H 1.0 1.8 3.5 1797 1467 A 71 TYR HD% A 71 TYR H 1.0 1.8 3.5 1798 1468 A 71 TYR H A 72 THR H 1.0 1.8 5.0 1799 1469 A 71 TYR H A 102 TYR HBx 1.0 1.8 6.0 1800 1469 A 102 TYR HBy A 71 TYR H 1.0 1.8 6.0 1801 1470 A 71 TYR H A 104 ALA HA 1.0 1.8 5.0 1802 1471 A 71 TYR H A 105 ASN HBy 1.0 1.8 5.0 1803 1471 A 71 TYR H A 105 ASN HBx 1.0 1.8 5.0 1804 1472 A 71 TYR H A 105 ASN HD21 1.0 1.8 5.0 1805 1472 A 71 TYR H A 105 ASN HD22 1.0 1.8 5.0 1806 1473 A 71 TYR H A 105 ASN HD21 1.0 1.8 5.0 1807 1474 A 71 TYR H A 105 ASN HD22 1.0 1.8 5.0 1808 1475 A 71 TYR H A 105 ASN H 1.0 1.8 5.0 1809 1476 A 72 THR HA A 72 THR HG2% 1.0 1.8 3.5 1810 1477 A 72 THR HA A 73 ALA HA 1.0 1.8 5.0 1811 1478 A 73 ALA HB% A 72 THR HA 1.0 1.8 5.0 1812 1479 A 72 THR HA A 73 ALA H 1.0 1.8 3.5 1813 1480 A 72 THR HB A 73 ALA H 1.0 1.8 5.0 1814 1481 A 103 SER H A 72 THR HB 1.0 1.8 5.0 1815 1482 A 72 THR HG2% A 73 ALA HA 1.0 1.8 5.0 1816 1483 A 73 ALA HB% A 72 THR HG2% 1.0 1.8 5.0 1817 1484 A 72 THR HG2% A 73 ALA H 1.0 1.8 3.5 1818 1485 A 72 THR HG2% A 74 ASP HA 1.0 1.8 5.0 1819 1486 A 72 THR HG2% A 76 PRO HGx 1.0 1.8 5.0 1820 1486 A 72 THR HG2% A 76 PRO HGy 1.0 1.8 5.0 1821 1487 A 103 SER H A 72 THR HG2% 1.0 1.8 6.0 1822 1488 A 72 THR HG2% A 105 ASN HBy 1.0 1.8 6.0 1823 1489 A 105 ASN HBx A 72 THR HG2% 1.0 1.8 6.0 1824 1490 A 72 THR HB A 72 THR H 1.0 1.8 3.5 1825 1491 A 72 THR H A 72 THR HG2% 1.0 1.8 5.0 1826 1492 A 73 ALA HB% A 72 THR H 1.0 1.8 6.0 1827 1493 A 72 THR H A 73 ALA H 1.0 1.8 5.0 1828 1494 A 102 TYR HA A 72 THR H 1.0 1.8 5.0 1829 1495 A 102 TYR HD% A 72 THR H 1.0 1.8 5.0 1830 1496 A 103 SER HA A 72 THR H 1.0 1.8 5.0 1831 1497 A 72 THR H A 103 SER HBx 1.0 1.8 5.0 1832 1497 A 103 SER HBy A 72 THR H 1.0 1.8 5.0 1833 1498 A 103 SER HBy A 72 THR H 1.0 1.8 6.0 1834 1499 A 72 THR H A 103 SER HBx 1.0 1.8 6.0 1835 1500 A 103 SER H A 72 THR H 1.0 1.8 5.0 1836 1501 A 72 THR H A 104 ALA HA 1.0 1.8 5.0 1837 1502 A 72 THR H A 105 ASN HBy 1.0 1.8 5.0 1838 1502 A 105 ASN HBx A 72 THR H 1.0 1.8 5.0 1839 1503 A 105 ASN H A 72 THR H 1.0 1.8 5.0 1840 1504 A 73 ALA HA A 74 ASP HA 1.0 1.8 5.0 1841 1505 A 73 ALA HA A 74 ASP H 1.0 1.8 3.5 1842 1506 A 73 ALA HA A 75 LYS H 1.0 1.8 5.0 1843 1507 A 100 VAL HG2% A 73 ALA HA 1.0 1.8 5.0 1844 1508 A 103 SER H A 73 ALA HA 1.0 1.8 5.0 1845 1509 A 73 ALA HB% A 74 ASP HA 1.0 1.8 5.0 1846 1510 A 73 ALA HB% A 74 ASP H 1.0 1.8 3.5 1847 1511 A 73 ALA HB% A 75 LYS HGx 1.0 1.8 5.0 1848 1512 A 73 ALA HB% A 75 LYS H 1.0 1.8 3.5 1849 1513 A 73 ALA HB% A 76 PRO HA 1.0 1.8 3.5 1850 1514 A 73 ALA HB% A 76 PRO HBx 1.0 1.8 3.5 1851 1515 A 73 ALA HB% A 76 PRO HBy 1.0 1.8 5.0 1852 1516 A 73 ALA HB% A 76 PRO HDx 1.0 1.8 5.0 1853 1517 A 73 ALA HB% A 76 PRO HGx 1.0 1.8 5.0 1854 1517 A 73 ALA HB% A 76 PRO HGy 1.0 1.8 5.0 1855 1518 A 100 VAL HG2% A 73 ALA HB% 1.0 1.8 5.0 1856 1519 A 102 TYR HD% A 73 ALA HB% 1.0 1.8 5.0 1857 1520 A 102 TYR HE% A 73 ALA HB% 1.0 1.8 5.0 1858 1521 A 103 SER H A 73 ALA HB% 1.0 1.8 5.0 1859 1522 A 73 ALA HB% A 73 ALA H 1.0 1.8 3.5 1860 1523 A 73 ALA H A 75 LYS H 1.0 1.8 6.0 1861 1524 A 102 TYR HA A 73 ALA H 1.0 1.8 5.0 1862 1525 A 102 TYR HD% A 73 ALA H 1.0 1.8 5.0 1863 1526 A 102 TYR HE% A 73 ALA H 1.0 1.8 5.0 1864 1527 A 103 SER H A 73 ALA H 1.0 1.8 5.0 1865 1528 A 74 ASP HA A 75 LYS HDx 1.0 1.8 6.0 1866 1529 A 74 ASP HA A 75 LYS H 1.0 1.8 3.5 1867 1530 A 75 LYS HDx A 74 ASP HBx 1.0 1.8 6.0 1868 1530 A 75 LYS HDx A 74 ASP HBy 1.0 1.8 6.0 1869 1531 A 100 VAL HA A 74 ASP HBx 1.0 1.8 5.0 1870 1531 A 74 ASP HBy A 100 VAL HA 1.0 1.8 5.0 1871 1532 A 100 VAL HG2% A 74 ASP HBx 1.0 1.8 5.0 1872 1532 A 100 VAL HG2% A 74 ASP HBy 1.0 1.8 5.0 1873 1533 A 101 ILE H A 74 ASP HBx 1.0 1.8 5.0 1874 1533 A 74 ASP HBy A 101 ILE H 1.0 1.8 5.0 1875 1534 A 74 ASP H A 75 LYS HDx 1.0 1.8 5.0 1876 1535 A 74 ASP H A 75 LYS H 1.0 1.8 3.5 1877 1536 A 100 VAL HG2% A 74 ASP H 1.0 1.8 5.0 1878 1537 A 101 ILE HB A 74 ASP H 1.0 1.8 5.0 1879 1538 A 74 ASP H A 101 ILE H 1.0 1.8 3.5 1880 1539 A 102 TYR HA A 74 ASP H 1.0 1.8 5.0 1881 1540 A 103 SER H A 74 ASP H 1.0 1.8 6.0 1882 1541 A 75 LYS HA A 76 PRO HGx 1.0 1.8 5.0 1883 1541 A 76 PRO HGy A 75 LYS HA 1.0 1.8 5.0 1884 1542 A 75 LYS HBy A 75 LYS HEx 1.0 1.8 3.5 1885 1542 A 75 LYS HBx A 75 LYS HEx 1.0 1.8 3.5 1886 1542 A 75 LYS HEy A 75 LYS HBx 1.0 1.8 3.5 1887 1542 A 75 LYS HBy A 75 LYS HEy 1.0 1.8 3.5 1888 1543 A 76 PRO HDx A 75 LYS HBx 1.0 1.8 5.0 1889 1543 A 76 PRO HDx A 75 LYS HBy 1.0 1.8 5.0 1890 1544 A 75 LYS HBy A 76 PRO HGx 1.0 1.8 6.0 1891 1544 A 75 LYS HBx A 76 PRO HGx 1.0 1.8 6.0 1892 1544 A 76 PRO HGy A 75 LYS HBx 1.0 1.8 6.0 1893 1544 A 76 PRO HGy A 75 LYS HBy 1.0 1.8 6.0 1894 1545 A 77 MET HA A 75 LYS HBx 1.0 1.8 6.0 1895 1545 A 75 LYS HBy A 77 MET HA 1.0 1.8 6.0 1896 1546 A 77 MET H A 75 LYS HBx 1.0 1.8 5.0 1897 1546 A 75 LYS HBy A 77 MET H 1.0 1.8 5.0 1898 1547 A 78 VAL HG2% A 75 LYS HBx 1.0 1.8 5.0 1899 1547 A 78 VAL HG2% A 75 LYS HBy 1.0 1.8 5.0 1900 1548 A 75 LYS HDy A 75 LYS HEx 1.0 1.8 3.5 1901 1548 A 75 LYS HEy A 75 LYS HDy 1.0 1.8 3.5 1902 1549 A 100 VAL HG1% A 75 LYS HDy 1.0 1.8 5.0 1903 1550 A 100 VAL H A 75 LYS HDy 1.0 1.8 5.0 1904 1551 A 75 LYS HDx A 100 VAL HA 1.0 1.8 6.0 1905 1552 A 100 VAL HB A 75 LYS HDx 1.0 1.8 6.0 1906 1553 A 100 VAL HG1% A 75 LYS HDx 1.0 1.8 5.0 1907 1554 A 100 VAL HA A 75 LYS HEx 1.0 1.8 5.0 1908 1554 A 100 VAL HA A 75 LYS HEy 1.0 1.8 5.0 1909 1555 A 75 LYS HGy A 75 LYS HEx 1.0 1.8 3.5 1910 1555 A 75 LYS HEy A 75 LYS HGy 1.0 1.8 3.5 1911 1556 A 78 VAL HG2% A 75 LYS HGy 1.0 1.8 5.0 1912 1557 A 100 VAL HA A 75 LYS HGy 1.0 1.8 5.0 1913 1558 A 100 VAL HB A 75 LYS HGy 1.0 1.8 5.0 1914 1559 A 100 VAL HG1% A 75 LYS HGy 1.0 1.8 5.0 1915 1560 A 75 LYS HGx A 75 LYS HEx 1.0 1.8 3.5 1916 1560 A 75 LYS HGx A 75 LYS HEy 1.0 1.8 3.5 1917 1561 A 75 LYS HGx A 100 VAL HA 1.0 1.8 5.0 1918 1562 A 100 VAL HB A 75 LYS HGx 1.0 1.8 6.0 1919 1563 A 100 VAL HG1% A 75 LYS HGx 1.0 1.8 5.0 1920 1564 A 100 VAL HG2% A 75 LYS HGx 1.0 1.8 5.0 1921 1565 A 100 VAL H A 75 LYS HGx 1.0 1.8 5.0 1922 1566 A 75 LYS H A 75 LYS HDy 1.0 1.8 5.0 1923 1567 A 75 LYS H A 75 LYS HDx 1.0 1.8 5.0 1924 1568 A 75 LYS H A 75 LYS HEx 1.0 1.8 5.0 1925 1568 A 75 LYS H A 75 LYS HEy 1.0 1.8 5.0 1926 1569 A 75 LYS H A 75 LYS HGx 1.0 1.8 3.5 1927 1570 A 75 LYS H A 76 PRO HDy 1.0 1.8 5.0 1928 1571 A 75 LYS H A 76 PRO HDx 1.0 1.8 5.0 1929 1572 A 75 LYS H A 76 PRO HGx 1.0 1.8 6.0 1930 1572 A 76 PRO HGy A 75 LYS H 1.0 1.8 6.0 1931 1573 A 75 LYS H A 77 MET H 1.0 1.8 5.0 1932 1574 A 100 VAL HB A 75 LYS H 1.0 1.8 6.0 1933 1575 A 100 VAL HG2% A 75 LYS H 1.0 1.8 5.0 1934 1576 A 75 LYS H A 101 ILE H 1.0 1.8 5.0 1935 1577 A 76 PRO HA A 78 VAL H 1.0 1.8 6.0 1936 1578 A 100 VAL HG2% A 76 PRO HA 1.0 1.8 5.0 1937 1579 A 102 TYR HE% A 76 PRO HA 1.0 1.8 6.0 1938 1580 A 76 PRO HBx A 77 MET H 1.0 1.8 5.0 1939 1581 A 76 PRO HBy A 77 MET HBx 1.0 1.8 5.0 1940 1582 A 76 PRO HBy A 77 MET H 1.0 1.8 5.0 1941 1583 A 77 MET H A 76 PRO HDy 1.0 1.8 5.0 1942 1584 A 76 PRO HDx A 77 MET HBy 1.0 1.8 5.0 1943 1585 A 76 PRO HDx A 77 MET H 1.0 1.8 5.0 1944 1586 A 77 MET H A 76 PRO HGx 1.0 1.8 3.5 1945 1586 A 76 PRO HGy A 77 MET H 1.0 1.8 3.5 1946 1587 A 77 MET HA A 78 VAL H 1.0 1.8 3.5 1947 1588 A 78 VAL H A 77 MET HBx 1.0 1.8 5.0 1948 1589 A 78 VAL H A 77 MET HGy 1.0 1.8 5.0 1949 1589 A 78 VAL H A 77 MET HGx 1.0 1.8 5.0 1950 1590 A 79 GLY H A 77 MET HGy 1.0 1.8 6.0 1951 1590 A 77 MET HGx A 79 GLY H 1.0 1.8 6.0 1952 1591 A 78 VAL H A 77 MET HGy 1.0 1.8 5.0 1953 1592 A 78 VAL H A 77 MET HGx 1.0 1.8 5.0 1954 1593 A 77 MET H A 77 MET HBy 1.0 1.8 3.5 1955 1594 A 77 MET H A 77 MET HBx 1.0 1.8 3.5 1956 1595 A 77 MET H A 77 MET HGy 1.0 1.8 5.0 1957 1596 A 77 MET H A 77 MET HGx 1.0 1.8 5.0 1958 1597 A 78 VAL HG2% A 77 MET H 1.0 1.8 5.0 1959 1598 A 77 MET H A 78 VAL H 1.0 1.8 5.0 1960 1599 A 78 VAL HA A 79 GLY HAx 1.0 1.8 5.0 1961 1599 A 78 VAL HA A 79 GLY HAy 1.0 1.8 5.0 1962 1600 A 79 GLY H A 78 VAL HA 1.0 1.8 3.5 1963 1601 A 78 VAL HB A 79 GLY H 1.0 1.8 5.0 1964 1602 A 78 VAL HG1% A 79 GLY H 1.0 1.8 5.0 1965 1603 A 78 VAL HG2% A 79 GLY H 1.0 1.8 5.0 1966 1604 A 78 VAL HG2% A 98 GLU HGx 1.0 1.8 5.0 1967 1604 A 78 VAL HG2% A 98 GLU HGy 1.0 1.8 5.0 1968 1605 A 78 VAL HG1% A 78 VAL H 1.0 1.8 5.0 1969 1606 A 78 VAL HG2% A 78 VAL H 1.0 1.8 5.0 1970 1607 A 78 VAL H A 79 GLY H 1.0 1.8 5.0 1971 1608 A 79 GLY H A 80 PRO HDx 1.0 1.8 5.0 1972 1608 A 79 GLY H A 80 PRO HDy 1.0 1.8 5.0 1973 1609 A 80 PRO HA A 81 ASP H 1.0 1.8 3.5 1974 1610 A 81 ASP H A 80 PRO HDx 1.0 1.8 5.0 1975 1610 A 80 PRO HDy A 81 ASP H 1.0 1.8 5.0 1976 1611 A 81 ASP HBy A 82 GLU H 1.0 1.8 5.0 1977 1612 A 82 GLU H A 81 ASP HBx 1.0 1.8 5.0 1978 1613 A 83 VAL H A 82 GLU HBy 1.0 1.8 5.0 1979 1614 A 82 GLU HBx A 82 GLU HGx 1.0 1.8 2.7 1980 1614 A 82 GLU HGy A 82 GLU HBx 1.0 1.8 2.7 1981 1615 A 83 VAL H A 82 GLU HBx 1.0 1.8 5.0 1982 1616 A 83 VAL H A 82 GLU HGx 1.0 1.8 5.0 1983 1616 A 83 VAL H A 82 GLU HGy 1.0 1.8 5.0 1984 1617 A 82 GLU H A 82 GLU HBx 1.0 1.8 3.5 1985 1618 A 82 GLU H A 82 GLU HGx 1.0 1.8 5.0 1986 1618 A 82 GLU HGy A 82 GLU H 1.0 1.8 5.0 1987 1619 A 83 VAL H A 82 GLU H 1.0 1.8 5.0 1988 1620 A 83 VAL HG1% A 83 VAL HA 1.0 1.8 3.5 1989 1621 A 83 VAL HG2% A 83 VAL HA 1.0 1.8 3.5 1990 1622 A 83 VAL HA A 84 THR HB 1.0 1.8 5.0 1991 1623 A 83 VAL HA A 84 THR H 1.0 1.8 3.5 1992 1624 A 85 VAL HG2% A 83 VAL HB 1.0 1.8 5.0 1993 1625 A 83 VAL HG1% A 84 THR HA 1.0 1.8 5.0 1994 1626 A 83 VAL HG1% A 84 THR H 1.0 1.8 3.5 1995 1627 A 85 VAL HG2% A 83 VAL HG1% 1.0 1.8 3.5 1996 1628 A 83 VAL HG1% A 85 VAL H 1.0 1.8 5.0 1997 1629 A 94 GLN HE2x A 83 VAL HG1% 1.0 1.8 5.0 1998 1630 A 83 VAL HG1% A 94 GLN HE2y 1.0 1.8 5.0 1999 1631 A 83 VAL HG2% A 84 THR H 1.0 1.8 5.0 2000 1632 A 94 GLN HE2x A 83 VAL HG2% 1.0 1.8 6.0 2001 1633 A 83 VAL HG2% A 83 VAL H 1.0 1.8 5.0 2002 1634 A 83 VAL H A 84 THR H 1.0 1.8 5.0 2003 1635 A 85 VAL HG2% A 84 THR HA 1.0 1.8 5.0 2004 1636 A 84 THR HA A 85 VAL H 1.0 1.8 3.5 2005 1637 A 85 VAL H A 84 THR HB 1.0 1.8 5.0 2006 1638 A 84 THR HG2% A 85 VAL H 1.0 1.8 3.5 2007 1639 A 84 THR H A 84 THR HB 1.0 1.8 3.5 2008 1640 A 84 THR HG2% A 84 THR H 1.0 1.8 5.0 2009 1641 A 85 VAL HG2% A 84 THR H 1.0 1.8 5.0 2010 1642 A 85 VAL H A 84 THR H 1.0 1.8 5.0 2011 1643 A 86 ASP H A 85 VAL HA 1.0 1.8 3.5 2012 1644 A 85 VAL HA A 89 ASN HD21 1.0 1.8 5.0 2013 1645 A 85 VAL HA A 89 ASN HD22 1.0 1.8 5.0 2014 1646 A 94 GLN HE2y A 85 VAL HA 1.0 1.8 5.0 2015 1647 A 86 ASP H A 85 VAL HB 1.0 1.8 5.0 2016 1648 A 90 PHE HD% A 85 VAL HB 1.0 1.8 5.0 2017 1649 A 85 VAL HG1% A 86 ASP H 1.0 1.8 3.5 2018 1650 A 85 VAL HG1% A 89 ASN HD21 1.0 1.8 5.0 2019 1651 A 85 VAL HG1% A 89 ASN HD22 1.0 1.8 5.0 2020 1652 A 90 PHE HA A 85 VAL HG1% 1.0 1.8 5.0 2021 1653 A 90 PHE HBx A 85 VAL HG1% 1.0 1.8 5.0 2022 1654 A 90 PHE HD% A 85 VAL HG1% 1.0 1.8 3.5 2023 1655 A 90 PHE HE% A 85 VAL HG1% 1.0 1.8 5.0 2024 1656 A 85 VAL HG1% A 90 PHE H 1.0 1.8 5.0 2025 1657 A 92 ASP H A 85 VAL HG1% 1.0 1.8 6.0 2026 1658 A 94 GLN HE2x A 85 VAL HG1% 1.0 1.8 6.0 2027 1659 A 85 VAL HG1% A 94 GLN HE2y 1.0 1.8 5.0 2028 1660 A 85 VAL HG2% A 86 ASP H 1.0 1.8 5.0 2029 1661 A 85 VAL HG2% A 89 ASN HD21 1.0 1.8 5.0 2030 1662 A 85 VAL HG2% A 89 ASN HD22 1.0 1.8 5.0 2031 1663 A 85 VAL HG2% A 90 PHE HA 1.0 1.8 5.0 2032 1664 A 90 PHE HD% A 85 VAL HG2% 1.0 1.8 5.0 2033 1665 A 85 VAL HG2% A 94 GLN HBx 1.0 1.8 6.0 2034 1665 A 85 VAL HG2% A 94 GLN HBy 1.0 1.8 6.0 2035 1666 A 85 VAL HG2% A 94 GLN HE2x 1.0 1.8 5.0 2036 1667 A 85 VAL HG2% A 94 GLN HE2y 1.0 1.8 5.0 2037 1668 A 85 VAL HG2% A 94 GLN HGx 1.0 1.8 5.0 2038 1668 A 85 VAL HG2% A 94 GLN HGy 1.0 1.8 5.0 2039 1669 A 85 VAL HG2% A 85 VAL H 1.0 1.8 5.0 2040 1670 A 86 ASP H A 85 VAL H 1.0 1.8 5.0 2041 1671 A 88 LYS H A 86 ASP HBy 1.0 1.8 5.0 2042 1671 A 86 ASP HBx A 88 LYS H 1.0 1.8 5.0 2043 1672 A 87 SER H A 86 ASP HBy 1.0 1.8 5.0 2044 1673 A 86 ASP HBx A 87 SER H 1.0 1.8 5.0 2045 1674 A 86 ASP H A 87 SER H 1.0 1.8 5.0 2046 1675 A 86 ASP H A 88 LYS H 1.0 1.8 5.0 2047 1676 A 86 ASP H A 89 ASN HBx 1.0 1.8 6.0 2048 1677 A 86 ASP H A 89 ASN HD21 1.0 1.8 5.0 2049 1678 A 86 ASP H A 89 ASN HD22 1.0 1.8 5.0 2050 1679 A 86 ASP H A 89 ASN H 1.0 1.8 5.0 2051 1680 A 90 PHE HA A 86 ASP H 1.0 1.8 5.0 2052 1681 A 86 ASP H A 90 PHE H 1.0 1.8 5.0 2053 1682 A 86 ASP H A 94 GLN HE2y 1.0 1.8 6.0 2054 1683 A 87 SER HA A 90 PHE HBy 1.0 1.8 5.0 2055 1684 A 90 PHE HD% A 87 SER HA 1.0 1.8 5.0 2056 1685 A 90 PHE H A 87 SER HA 1.0 1.8 5.0 2057 1686 A 88 LYS H A 87 SER HBx 1.0 1.8 3.5 2058 1686 A 87 SER HBy A 88 LYS H 1.0 1.8 3.5 2059 1687 A 87 SER H A 87 SER HBx 1.0 1.8 3.5 2060 1687 A 87 SER HBy A 87 SER H 1.0 1.8 3.5 2061 1688 A 87 SER H A 88 LYS H 1.0 1.8 5.0 2062 1689 A 87 SER H A 89 ASN H 1.0 1.8 6.0 2063 1690 A 90 PHE HD% A 87 SER H 1.0 1.8 6.0 2064 1691 A 88 LYS HA A 88 LYS HDx 1.0 1.8 5.0 2065 1691 A 88 LYS HDy A 88 LYS HA 1.0 1.8 5.0 2066 1692 A 88 LYS HA A 88 LYS HGy 1.0 1.8 3.5 2067 1692 A 88 LYS HA A 88 LYS HGx 1.0 1.8 3.5 2068 1693 A 90 PHE H A 88 LYS HA 1.0 1.8 5.0 2069 1694 A 88 LYS HBx A 88 LYS HDx 1.0 1.8 5.0 2070 1694 A 88 LYS HBy A 88 LYS HDx 1.0 1.8 5.0 2071 1694 A 88 LYS HDy A 88 LYS HBx 1.0 1.8 5.0 2072 1694 A 88 LYS HDy A 88 LYS HBy 1.0 1.8 5.0 2073 1695 A 88 LYS HBy A 88 LYS HEx 1.0 1.8 5.0 2074 1695 A 88 LYS HBx A 88 LYS HEx 1.0 1.8 5.0 2075 1695 A 88 LYS HEy A 88 LYS HBx 1.0 1.8 5.0 2076 1695 A 88 LYS HBy A 88 LYS HEy 1.0 1.8 5.0 2077 1696 A 89 ASN HBy A 88 LYS HBx 1.0 1.8 5.0 2078 1696 A 88 LYS HBy A 89 ASN HBy 1.0 1.8 5.0 2079 1697 A 89 ASN H A 88 LYS HBx 1.0 1.8 3.5 2080 1697 A 89 ASN H A 88 LYS HBy 1.0 1.8 3.5 2081 1698 A 90 PHE H A 88 LYS HBx 1.0 1.8 5.0 2082 1698 A 90 PHE H A 88 LYS HBy 1.0 1.8 5.0 2083 1699 A 89 ASN H A 88 LYS HDx 1.0 1.8 5.0 2084 1699 A 88 LYS HDy A 89 ASN H 1.0 1.8 5.0 2085 1700 A 88 LYS HEx A 88 LYS HGy 1.0 1.8 3.5 2086 1700 A 88 LYS HEy A 88 LYS HGy 1.0 1.8 3.5 2087 1700 A 88 LYS HGx A 88 LYS HEx 1.0 1.8 3.5 2088 1700 A 88 LYS HGx A 88 LYS HEy 1.0 1.8 3.5 2089 1701 A 89 ASN H A 88 LYS HGy 1.0 1.8 5.0 2090 1701 A 89 ASN H A 88 LYS HGx 1.0 1.8 5.0 2091 1702 A 88 LYS H A 88 LYS HBx 1.0 1.8 2.7 2092 1702 A 88 LYS H A 88 LYS HBy 1.0 1.8 2.7 2093 1703 A 88 LYS H A 88 LYS HDx 1.0 1.8 5.0 2094 1703 A 88 LYS HDy A 88 LYS H 1.0 1.8 5.0 2095 1704 A 88 LYS H A 88 LYS HEx 1.0 1.8 5.0 2096 1704 A 88 LYS H A 88 LYS HEy 1.0 1.8 5.0 2097 1705 A 88 LYS H A 88 LYS HGy 1.0 1.8 3.5 2098 1705 A 88 LYS H A 88 LYS HGx 1.0 1.8 3.5 2099 1706 A 88 LYS H A 88 LYS HGy 1.0 1.8 5.0 2100 1707 A 88 LYS H A 88 LYS HGx 1.0 1.8 5.0 2101 1708 A 88 LYS H A 89 ASN H 1.0 1.8 3.5 2102 1709 A 90 PHE H A 88 LYS H 1.0 1.8 5.0 2103 1710 A 89 ASN HD21 A 89 ASN HA 1.0 1.8 5.0 2104 1711 A 92 ASP H A 89 ASN HA 1.0 1.8 5.0 2105 1712 A 90 PHE H A 89 ASN HBy 1.0 1.8 5.0 2106 1713 A 92 ASP H A 89 ASN HBx 1.0 1.8 5.0 2107 1714 A 89 ASN H A 89 ASN HBy 1.0 1.8 3.5 2108 1715 A 89 ASN HD22 A 89 ASN H 1.0 1.8 5.0 2109 1716 A 90 PHE HA A 89 ASN H 1.0 1.8 5.0 2110 1717 A 89 ASN H A 90 PHE HBy 1.0 1.8 5.0 2111 1718 A 90 PHE H A 89 ASN H 1.0 1.8 3.5 2112 1719 A 89 ASN H A 91 LEU H 1.0 1.8 6.0 2113 1720 A 90 PHE HD% A 90 PHE HA 1.0 1.8 5.0 2114 1721 A 91 LEU HD1% A 90 PHE HA 1.0 1.8 6.0 2115 1722 A 90 PHE HA A 91 LEU HD2% 1.0 1.8 6.0 2116 1723 A 92 ASP H A 90 PHE HA 1.0 1.8 5.0 2117 1724 A 91 LEU HD1% A 90 PHE HBy 1.0 1.8 5.0 2118 1725 A 90 PHE HBy A 91 LEU HD2% 1.0 1.8 5.0 2119 1726 A 90 PHE HBy A 91 LEU H 1.0 1.8 5.0 2120 1727 A 91 LEU HD1% A 90 PHE HBx 1.0 1.8 6.0 2121 1728 A 90 PHE HBx A 91 LEU HD2% 1.0 1.8 5.0 2122 1729 A 90 PHE HBx A 91 LEU H 1.0 1.8 5.0 2123 1730 A 90 PHE HD% A 91 LEU HA 1.0 1.8 5.0 2124 1731 A 90 PHE HD% A 91 LEU HD1% 1.0 1.8 3.5 2125 1732 A 90 PHE HD% A 91 LEU HD2% 1.0 1.8 3.5 2126 1733 A 90 PHE HD% A 91 LEU HG 1.0 1.8 6.0 2127 1734 A 90 PHE H A 90 PHE HBy 1.0 1.8 3.5 2128 1735 A 90 PHE HBx A 90 PHE H 1.0 1.8 3.5 2129 1736 A 90 PHE HD% A 90 PHE H 1.0 1.8 5.0 2130 1737 A 90 PHE H A 91 LEU HBx 1.0 1.8 5.0 2131 1738 A 90 PHE H A 91 LEU HD2% 1.0 1.8 5.0 2132 1739 A 90 PHE H A 91 LEU H 1.0 1.8 5.0 2133 1740 A 92 ASP H A 90 PHE H 1.0 1.8 5.0 2134 1741 A 91 LEU HA A 91 LEU HD1% 1.0 1.8 3.5 2135 1742 A 91 LEU HA A 91 LEU HD2% 1.0 1.8 3.5 2136 1743 A 91 LEU HD1% A 91 LEU HBy 1.0 1.8 3.5 2137 1744 A 91 LEU HD1% A 91 LEU HBx 1.0 1.8 3.5 2138 1745 A 91 LEU HD2% A 91 LEU HBx 1.0 1.8 3.5 2139 1746 A 92 ASP H A 91 LEU HBx 1.0 1.8 3.5 2140 1747 A 91 LEU HD1% A 92 ASP H 1.0 1.8 5.0 2141 1748 A 92 ASP H A 91 LEU HD2% 1.0 1.8 5.0 2142 1749 A 92 ASP H A 91 LEU HG 1.0 1.8 6.0 2143 1750 A 91 LEU H A 91 LEU HBx 1.0 1.8 3.5 2144 1751 A 91 LEU HD1% A 91 LEU H 1.0 1.8 3.5 2145 1752 A 91 LEU H A 91 LEU HD2% 1.0 1.8 3.5 2146 1753 A 91 LEU H A 91 LEU HG 1.0 1.8 5.0 2147 1754 A 91 LEU H A 92 ASP HBy 1.0 1.8 5.0 2148 1754 A 91 LEU H A 92 ASP HBx 1.0 1.8 5.0 2149 1755 A 92 ASP H A 91 LEU H 1.0 1.8 3.5 2150 1756 A 92 ASP HA A 93 LYS HBx 1.0 1.8 5.0 2151 1756 A 93 LYS HBy A 92 ASP HA 1.0 1.8 5.0 2152 1757 A 92 ASP HA A 93 LYS HGx 1.0 1.8 5.0 2153 1758 A 92 ASP HA A 93 LYS H 1.0 1.8 2.7 2154 1759 A 93 LYS HGy A 92 ASP HBy 1.0 1.8 6.0 2155 1759 A 92 ASP HBx A 93 LYS HGy 1.0 1.8 6.0 2156 1760 A 93 LYS H A 92 ASP HBy 1.0 1.8 3.5 2157 1760 A 92 ASP HBx A 93 LYS H 1.0 1.8 3.5 2158 1761 A 93 LYS H A 92 ASP HBy 1.0 1.8 5.0 2159 1762 A 92 ASP HBx A 93 LYS H 1.0 1.8 5.0 2160 1763 A 92 ASP H A 92 ASP HBy 1.0 1.8 3.5 2161 1763 A 92 ASP H A 92 ASP HBx 1.0 1.8 3.5 2162 1764 A 92 ASP H A 93 LYS H 1.0 1.8 5.0 2163 1765 A 93 LYS HA A 93 LYS HEx 1.0 1.8 6.0 2164 1765 A 93 LYS HA A 93 LYS HEy 1.0 1.8 6.0 2165 1766 A 94 GLN H A 93 LYS HA 1.0 1.8 3.5 2166 1767 A 93 LYS HBy A 93 LYS HEx 1.0 1.8 5.0 2167 1767 A 93 LYS HBx A 93 LYS HEx 1.0 1.8 5.0 2168 1767 A 93 LYS HEy A 93 LYS HBx 1.0 1.8 5.0 2169 1767 A 93 LYS HBy A 93 LYS HEy 1.0 1.8 5.0 2170 1768 A 94 GLN H A 93 LYS HBx 1.0 1.8 3.5 2171 1768 A 93 LYS HBy A 94 GLN H 1.0 1.8 3.5 2172 1769 A 95 ASN H A 93 LYS HBx 1.0 1.8 3.5 2173 1769 A 93 LYS HBy A 95 ASN H 1.0 1.8 3.5 2174 1770 A 93 LYS HGy A 94 GLN HA 1.0 1.8 5.0 2175 1771 A 94 GLN H A 93 LYS HGy 1.0 1.8 5.0 2176 1772 A 95 ASN H A 93 LYS HGy 1.0 1.8 5.0 2177 1773 A 93 LYS HGx A 93 LYS HEx 1.0 1.8 3.5 2178 1773 A 93 LYS HGx A 93 LYS HEy 1.0 1.8 3.5 2179 1774 A 93 LYS HGx A 94 GLN HA 1.0 1.8 6.0 2180 1775 A 94 GLN H A 93 LYS HGx 1.0 1.8 5.0 2181 1776 A 95 ASN H A 93 LYS HGx 1.0 1.8 5.0 2182 1777 A 93 LYS H A 93 LYS HBx 1.0 1.8 3.5 2183 1777 A 93 LYS HBy A 93 LYS H 1.0 1.8 3.5 2184 1778 A 93 LYS H A 93 LYS HGy 1.0 1.8 5.0 2185 1779 A 93 LYS HGx A 93 LYS H 1.0 1.8 3.5 2186 1780 A 94 GLN H A 93 LYS H 1.0 1.8 5.0 2187 1781 A 95 ASN H A 94 GLN HA 1.0 1.8 3.5 2188 1782 A 95 ASN H A 94 GLN HGx 1.0 1.8 5.0 2189 1782 A 94 GLN HGy A 95 ASN H 1.0 1.8 5.0 2190 1783 A 94 GLN H A 94 GLN HGx 1.0 1.8 3.5 2191 1783 A 94 GLN HGy A 94 GLN H 1.0 1.8 3.5 2192 1784 A 94 GLN H A 95 ASN HBy 1.0 1.8 5.0 2193 1784 A 94 GLN H A 95 ASN HBx 1.0 1.8 5.0 2194 1785 A 94 GLN H A 95 ASN H 1.0 1.8 3.5 2195 1786 A 96 ARG H A 95 ASN HA 1.0 1.8 3.5 2196 1787 A 95 ASN H A 95 ASN HBy 1.0 1.8 3.5 2197 1787 A 95 ASN HBx A 95 ASN H 1.0 1.8 3.5 2198 1788 A 95 ASN H A 95 ASN HD22 1.0 1.8 5.0 2199 1788 A 95 ASN H A 95 ASN HD21 1.0 1.8 5.0 2200 1789 A 95 ASN H A 96 ARG H 1.0 1.8 5.0 2201 1790 A 96 ARG HA A 96 ARG HDy 1.0 1.8 5.0 2202 1790 A 96 ARG HA A 96 ARG HDx 1.0 1.8 5.0 2203 1791 A 96 ARG HA A 96 ARG HDy 1.0 1.8 5.0 2204 1792 A 96 ARG HA A 96 ARG HDx 1.0 1.8 5.0 2205 1793 A 97 GLU HA A 96 ARG HA 1.0 1.8 6.0 2206 1794 A 96 ARG HA A 97 GLU H 1.0 1.8 3.5 2207 1795 A 96 ARG HBy A 96 ARG HDy 1.0 1.8 3.5 2208 1795 A 96 ARG HBx A 96 ARG HDy 1.0 1.8 3.5 2209 1795 A 96 ARG HDx A 96 ARG HBy 1.0 1.8 3.5 2210 1795 A 96 ARG HBx A 96 ARG HDx 1.0 1.8 3.5 2211 1796 A 96 ARG HE A 96 ARG HBy 1.0 1.8 5.0 2212 1796 A 96 ARG HBx A 96 ARG HE 1.0 1.8 5.0 2213 1797 A 97 GLU H A 96 ARG HBy 1.0 1.8 5.0 2214 1798 A 96 ARG HBx A 97 GLU H 1.0 1.8 5.0 2215 1799 A 97 GLU H A 96 ARG HDy 1.0 1.8 5.0 2216 1799 A 96 ARG HDx A 97 GLU H 1.0 1.8 5.0 2217 1800 A 97 GLU H A 96 ARG HDy 1.0 1.8 6.0 2218 1801 A 96 ARG HDx A 97 GLU H 1.0 1.8 6.0 2219 1802 A 97 GLU H A 96 ARG HE 1.0 1.8 5.0 2220 1803 A 96 ARG H A 96 ARG HDy 1.0 1.8 6.0 2221 1803 A 96 ARG H A 96 ARG HDx 1.0 1.8 6.0 2222 1804 A 96 ARG H A 97 GLU H 1.0 1.8 5.0 2223 1805 A 97 GLU HA A 98 GLU HA 1.0 1.8 6.0 2224 1806 A 97 GLU HA A 98 GLU H 1.0 1.8 3.5 2225 1807 A 98 GLU H A 97 GLU HGx 1.0 1.8 5.0 2226 1807 A 97 GLU HGy A 98 GLU H 1.0 1.8 5.0 2227 1808 A 97 GLU H A 97 GLU HBx 1.0 1.8 3.5 2228 1808 A 97 GLU HBy A 97 GLU H 1.0 1.8 3.5 2229 1809 A 98 GLU H A 97 GLU H 1.0 1.8 5.0 2230 1810 A 98 GLU HA A 98 GLU HGx 1.0 1.8 3.5 2231 1810 A 98 GLU HGy A 98 GLU HA 1.0 1.8 3.5 2232 1811 A 99 THR H A 98 GLU HA 1.0 1.8 3.5 2233 1812 A 98 GLU HBy A 99 THR H 1.0 1.8 5.0 2234 1813 A 98 GLU HBx A 99 THR H 1.0 1.8 5.0 2235 1814 A 99 THR HA A 98 GLU HGx 1.0 1.8 6.0 2236 1814 A 98 GLU HGy A 99 THR HA 1.0 1.8 6.0 2237 1815 A 99 THR H A 98 GLU HGx 1.0 1.8 5.0 2238 1815 A 98 GLU HGy A 99 THR H 1.0 1.8 5.0 2239 1816 A 98 GLU H A 98 GLU HGx 1.0 1.8 5.0 2240 1816 A 98 GLU H A 98 GLU HGy 1.0 1.8 5.0 2241 1817 A 98 GLU H A 99 THR H 1.0 1.8 5.0 2242 1818 A 100 VAL H A 99 THR HA 1.0 1.8 3.5 2243 1819 A 100 VAL H A 99 THR HB 1.0 1.8 5.0 2244 1820 A 101 ILE HD1% A 99 THR HB 1.0 1.8 5.0 2245 1821 A 100 VAL H A 99 THR HG2% 1.0 1.8 3.5 2246 1822 A 99 THR HG2% A 101 ILE HA 1.0 1.8 5.0 2247 1823 A 99 THR HG2% A 101 ILE HD1% 1.0 1.8 3.5 2248 1824 A 99 THR H A 99 THR HB 1.0 1.8 3.5 2249 1825 A 99 THR H A 99 THR HG2% 1.0 1.8 5.0 2250 1826 A 99 THR H A 100 VAL HG1% 1.0 1.8 5.0 2251 1827 A 99 THR H A 100 VAL H 1.0 1.8 5.0 2252 1828 A 101 ILE HB A 100 VAL HA 1.0 1.8 5.0 2253 1829 A 101 ILE HD1% A 100 VAL HA 1.0 1.8 5.0 2254 1830 A 100 VAL HA A 101 ILE HG1x 1.0 1.8 5.0 2255 1831 A 100 VAL HA A 101 ILE H 1.0 1.8 3.5 2256 1832 A 100 VAL HB A 101 ILE H 1.0 1.8 5.0 2257 1833 A 100 VAL HB A 102 TYR HE% 1.0 1.8 5.0 2258 1834 A 100 VAL HG2% A 101 ILE H 1.0 1.8 3.5 2259 1835 A 100 VAL HG2% A 102 TYR HD% 1.0 1.8 5.0 2260 1836 A 102 TYR HE% A 100 VAL HG2% 1.0 1.8 5.0 2261 1837 A 100 VAL HG2% A 102 TYR H 1.0 1.8 5.0 2262 1838 A 100 VAL HG1% A 100 VAL H 1.0 1.8 5.0 2263 1839 A 100 VAL H A 100 VAL HG2% 1.0 1.8 5.0 2264 1840 A 101 ILE HD1% A 101 ILE HA 1.0 1.8 3.5 2265 1841 A 101 ILE HA A 101 ILE HG2% 1.0 1.8 3.5 2266 1842 A 101 ILE HA A 102 TYR H 1.0 1.8 3.5 2267 1843 A 101 ILE HD1% A 101 ILE HB 1.0 1.8 3.5 2268 1844 A 101 ILE HB A 102 TYR HA 1.0 1.8 6.0 2269 1845 A 102 TYR H A 101 ILE HB 1.0 1.8 5.0 2270 1846 A 101 ILE HD1% A 102 TYR H 1.0 1.8 5.0 2271 1847 A 102 TYR H A 101 ILE HG1y 1.0 1.8 6.0 2272 1848 A 102 TYR H A 101 ILE HG1x 1.0 1.8 6.0 2273 1849 A 101 ILE HG2% A 101 ILE HG1y 1.0 1.8 3.5 2274 1850 A 101 ILE HG2% A 101 ILE HG1x 1.0 1.8 5.0 2275 1851 A 101 ILE HG2% A 102 TYR HA 1.0 1.8 5.0 2276 1852 A 101 ILE HG2% A 102 TYR HD% 1.0 1.8 5.0 2277 1853 A 102 TYR H A 101 ILE HG2% 1.0 1.8 5.0 2278 1854 A 101 ILE HG2% A 103 SER HBx 1.0 1.8 5.0 2279 1854 A 101 ILE HG2% A 103 SER HBy 1.0 1.8 5.0 2280 1855 A 101 ILE HG2% A 103 SER H 1.0 1.8 5.0 2281 1856 A 101 ILE HB A 101 ILE H 1.0 1.8 3.5 2282 1857 A 101 ILE HD1% A 101 ILE H 1.0 1.8 5.0 2283 1858 A 101 ILE H A 101 ILE HG1y 1.0 1.8 5.0 2284 1859 A 101 ILE H A 101 ILE HG1x 1.0 1.8 5.0 2285 1860 A 102 TYR H A 101 ILE H 1.0 1.8 5.0 2286 1861 A 102 TYR HD% A 102 TYR HA 1.0 1.8 5.0 2287 1862 A 103 SER HA A 102 TYR HA 1.0 1.8 5.0 2288 1863 A 102 TYR HA A 103 SER H 1.0 1.8 3.5 2289 1864 A 103 SER HA A 102 TYR HBx 1.0 1.8 6.0 2290 1864 A 102 TYR HBy A 103 SER HA 1.0 1.8 6.0 2291 1865 A 102 TYR HD% A 103 SER H 1.0 1.8 5.0 2292 1866 A 102 TYR H A 102 TYR HD% 1.0 1.8 5.0 2293 1867 A 102 TYR H A 103 SER H 1.0 1.8 5.0 2294 1868 A 103 SER HA A 104 ALA HA 1.0 1.8 5.0 2295 1869 A 103 SER HA A 104 ALA HB% 1.0 1.8 5.0 2296 1870 A 103 SER HA A 104 ALA H 1.0 1.8 3.5 2297 1871 A 104 ALA HB% A 103 SER HBx 1.0 1.8 5.0 2298 1871 A 103 SER HBy A 104 ALA HB% 1.0 1.8 5.0 2299 1872 A 104 ALA H A 103 SER HBx 1.0 1.8 3.5 2300 1872 A 104 ALA H A 103 SER HBy 1.0 1.8 3.5 2301 1873 A 103 SER H A 103 SER HBx 1.0 1.8 3.5 2302 1873 A 103 SER HBy A 103 SER H 1.0 1.8 3.5 2303 1874 A 104 ALA H A 103 SER H 1.0 1.8 5.0 2304 1875 A 104 ALA HA A 105 ASN HA 1.0 1.8 5.0 2305 1876 A 104 ALA HA A 105 ASN HBy 1.0 1.8 5.0 2306 1876 A 105 ASN HBx A 104 ALA HA 1.0 1.8 5.0 2307 1877 A 105 ASN H A 104 ALA HA 1.0 1.8 3.5 2308 1878 A 104 ALA HA A 108 THR H 1.0 1.8 6.0 2309 1879 A 104 ALA HB% A 105 ASN HA 1.0 1.8 5.0 2310 1880 A 104 ALA HB% A 105 ASN HBy 1.0 1.8 6.0 2311 1880 A 104 ALA HB% A 105 ASN HBx 1.0 1.8 6.0 2312 1881 A 104 ALA HB% A 105 ASN H 1.0 1.8 3.5 2313 1882 A 104 ALA HB% A 108 THR HB 1.0 1.8 5.0 2314 1883 A 104 ALA HB% A 108 THR H 1.0 1.8 5.0 2315 1884 A 104 ALA HB% A 109 GLN HGx 1.0 1.8 5.0 2316 1884 A 104 ALA HB% A 109 GLN HGy 1.0 1.8 5.0 2317 1885 A 104 ALA H A 104 ALA HB% 1.0 1.8 3.5 2318 1886 A 104 ALA H A 105 ASN H 1.0 1.8 5.0 2319 1887 A 105 ASN HD21 A 105 ASN HA 1.0 1.8 5.0 2320 1887 A 105 ASN HD22 A 105 ASN HA 1.0 1.8 5.0 2321 1888 A 105 ASN HA A 106 THR HA 1.0 1.8 5.0 2322 1889 A 105 ASN HA A 106 THR HG2% 1.0 1.8 5.0 2323 1890 A 105 ASN HA A 106 THR H 1.0 1.8 3.5 2324 1891 A 105 ASN HA A 107 ILE H 1.0 1.8 5.0 2325 1892 A 105 ASN HBx A 105 ASN HD22 1.0 1.8 3.5 2326 1892 A 105 ASN HD21 A 105 ASN HBy 1.0 1.8 3.5 2327 1892 A 105 ASN HBx A 105 ASN HD21 1.0 1.8 3.5 2328 1892 A 105 ASN HD22 A 105 ASN HBy 1.0 1.8 3.5 2329 1893 A 106 THR HA A 105 ASN HBy 1.0 1.8 5.0 2330 1893 A 105 ASN HBx A 106 THR HA 1.0 1.8 5.0 2331 1894 A 106 THR HG2% A 105 ASN HBy 1.0 1.8 3.5 2332 1894 A 105 ASN HBx A 106 THR HG2% 1.0 1.8 3.5 2333 1895 A 106 THR H A 105 ASN HBy 1.0 1.8 3.5 2334 1895 A 105 ASN HBx A 106 THR H 1.0 1.8 3.5 2335 1896 A 107 ILE HD1% A 105 ASN HBy 1.0 1.8 5.0 2336 1896 A 105 ASN HBx A 107 ILE HD1% 1.0 1.8 5.0 2337 1897 A 107 ILE H A 105 ASN HBy 1.0 1.8 5.0 2338 1897 A 105 ASN HBx A 107 ILE H 1.0 1.8 5.0 2339 1898 A 105 ASN HD22 A 105 ASN HBy 1.0 1.8 5.0 2340 1899 A 106 THR H A 105 ASN HBy 1.0 1.8 5.0 2341 1900 A 107 ILE H A 105 ASN HBy 1.0 1.8 5.0 2342 1901 A 105 ASN HBx A 105 ASN HD22 1.0 1.8 5.0 2343 1902 A 105 ASN HBx A 106 THR H 1.0 1.8 5.0 2344 1903 A 105 ASN HBx A 107 ILE H 1.0 1.8 5.0 2345 1904 A 105 ASN HD21 A 106 THR H 1.0 1.8 6.0 2346 1904 A 105 ASN HD22 A 106 THR H 1.0 1.8 6.0 2347 1905 A 105 ASN H A 105 ASN HBy 1.0 1.8 3.5 2348 1905 A 105 ASN HBx A 105 ASN H 1.0 1.8 3.5 2349 1906 A 105 ASN H A 105 ASN HD21 1.0 1.8 5.0 2350 1906 A 105 ASN H A 105 ASN HD22 1.0 1.8 5.0 2351 1907 A 105 ASN H A 105 ASN HD21 1.0 1.8 5.0 2352 1908 A 106 THR HA A 109 GLN HBy 1.0 1.8 5.0 2353 1909 A 106 THR HA A 109 GLN HBx 1.0 1.8 3.5 2354 1910 A 106 THR HA A 109 GLN HE21 1.0 1.8 5.0 2355 1910 A 106 THR HA A 109 GLN HE22 1.0 1.8 5.0 2356 1911 A 106 THR HA A 109 GLN HGx 1.0 1.8 3.5 2357 1911 A 109 GLN HGy A 106 THR HA 1.0 1.8 3.5 2358 1912 A 106 THR HA A 109 GLN H 1.0 1.8 5.0 2359 1913 A 109 GLN HBx A 106 THR HB 1.0 1.8 5.0 2360 1914 A 106 THR HG2% A 107 ILE HA 1.0 1.8 5.0 2361 1915 A 106 THR HG2% A 107 ILE H 1.0 1.8 2.7 2362 1916 A 106 THR H A 106 THR HB 1.0 1.8 3.5 2363 1917 A 106 THR HG2% A 106 THR H 1.0 1.8 3.5 2364 1918 A 106 THR H A 107 ILE HD1% 1.0 1.8 5.0 2365 1919 A 106 THR H A 107 ILE HG1x 1.0 1.8 5.0 2366 1919 A 106 THR H A 107 ILE HG1y 1.0 1.8 5.0 2367 1920 A 106 THR H A 107 ILE H 1.0 1.8 3.5 2368 1921 A 107 ILE HD1% A 107 ILE HA 1.0 1.8 5.0 2369 1922 A 107 ILE HA A 107 ILE HG1x 1.0 1.8 3.5 2370 1922 A 107 ILE HA A 107 ILE HG1y 1.0 1.8 3.5 2371 1923 A 107 ILE HA A 107 ILE HG2% 1.0 1.8 2.7 2372 1924 A 107 ILE HD1% A 107 ILE HB 1.0 1.8 3.5 2373 1925 A 107 ILE HB A 108 THR HA 1.0 1.8 5.0 2374 1926 A 108 THR H A 107 ILE HB 1.0 1.8 3.5 2375 1927 A 107 ILE HD1% A 109 GLN H 1.0 1.8 6.0 2376 1928 A 108 THR H A 107 ILE HG1x 1.0 1.8 5.0 2377 1928 A 108 THR H A 107 ILE HG1y 1.0 1.8 5.0 2378 1929 A 107 ILE HG2% A 107 ILE HG1x 1.0 1.8 2.7 2379 1929 A 107 ILE HG1y A 107 ILE HG2% 1.0 1.8 2.7 2380 1930 A 107 ILE HG1y A 107 ILE HG2% 1.0 1.8 3.5 2381 1931 A 107 ILE HG2% A 107 ILE HG1x 1.0 1.8 3.5 2382 1932 A 107 ILE HG2% A 108 THR HA 1.0 1.8 3.5 2383 1933 A 108 THR H A 107 ILE HG2% 1.0 1.8 3.5 2384 1934 A 109 GLN H A 107 ILE HG2% 1.0 1.8 5.0 2385 1935 A 107 ILE H A 107 ILE HB 1.0 1.8 3.5 2386 1936 A 107 ILE H A 107 ILE HD1% 1.0 1.8 3.5 2387 1937 A 107 ILE H A 107 ILE HG1x 1.0 1.8 3.5 2388 1937 A 107 ILE H A 107 ILE HG1y 1.0 1.8 3.5 2389 1938 A 108 THR HB A 109 GLN H 1.0 1.8 5.0 2390 1939 A 108 THR HG2% A 109 GLN HA 1.0 1.8 5.0 2391 1940 A 109 GLN HBx A 108 THR HG2% 1.0 1.8 5.0 2392 1941 A 109 GLN H A 108 THR HG2% 1.0 1.8 3.5 2393 1942 A 108 THR HG2% A 110 ASN H 1.0 1.8 6.0 2394 1943 A 108 THR H A 108 THR HB 1.0 1.8 2.7 2395 1944 A 108 THR H A 108 THR HG2% 1.0 1.8 2.7 2396 1945 A 108 THR H A 109 GLN HGx 1.0 1.8 5.0 2397 1945 A 108 THR H A 109 GLN HGy 1.0 1.8 5.0 2398 1946 A 108 THR H A 109 GLN H 1.0 1.8 3.5 2399 1947 A 109 GLN HA A 109 GLN HE21 1.0 1.8 5.0 2400 1947 A 109 GLN HA A 109 GLN HE22 1.0 1.8 5.0 2401 1948 A 109 GLN HA A 109 GLN HGx 1.0 1.8 3.5 2402 1948 A 109 GLN HGy A 109 GLN HA 1.0 1.8 3.5 2403 1949 A 109 GLN HA A 110 ASN HD21 1.0 1.8 5.0 2404 1950 A 109 GLN HA A 110 ASN H 1.0 1.8 3.5 2405 1951 A 109 GLN HBy A 109 GLN HGx 1.0 1.8 2.7 2406 1951 A 109 GLN HGy A 109 GLN HBy 1.0 1.8 2.7 2407 1952 A 109 GLN HBy A 110 ASN HA 1.0 1.8 5.0 2408 1953 A 109 GLN HBy A 110 ASN H 1.0 1.8 5.0 2409 1954 A 109 GLN HGy A 109 GLN HE21 1.0 1.8 3.5 2410 1954 A 109 GLN HE22 A 109 GLN HGx 1.0 1.8 3.5 2411 1954 A 109 GLN HGy A 109 GLN HE22 1.0 1.8 3.5 2412 1954 A 109 GLN HE21 A 109 GLN HGx 1.0 1.8 3.5 2413 1955 A 109 GLN HE21 A 109 GLN HGx 1.0 1.8 3.5 2414 1955 A 109 GLN HGy A 109 GLN HE21 1.0 1.8 3.5 2415 1956 A 109 GLN HE22 A 109 GLN HGx 1.0 1.8 3.5 2416 1956 A 109 GLN HGy A 109 GLN HE22 1.0 1.8 3.5 2417 1957 A 110 ASN H A 109 GLN HGx 1.0 1.8 5.0 2418 1957 A 109 GLN HGy A 110 ASN H 1.0 1.8 5.0 2419 1958 A 109 GLN HBx A 109 GLN H 1.0 1.8 3.5 2420 1959 A 109 GLN H A 109 GLN HGx 1.0 1.8 3.5 2421 1959 A 109 GLN HGy A 109 GLN H 1.0 1.8 3.5 2422 1960 A 110 ASN HD21 A 110 ASN HA 1.0 1.8 5.0 2423 1961 A 110 ASN HA A 110 ASN HD22 1.0 1.8 5.0 2424 1962 A 110 ASN HA A 111 LYS HDx 1.0 1.8 5.0 2425 1962 A 110 ASN HA A 111 LYS HDy 1.0 1.8 5.0 2426 1963 A 110 ASN HA A 111 LYS HGx 1.0 1.8 5.0 2427 1963 A 110 ASN HA A 111 LYS HGy 1.0 1.8 5.0 2428 1964 A 110 ASN HA A 111 LYS H 1.0 1.8 3.5 2429 1965 A 110 ASN HD21 A 110 ASN HBy 1.0 1.8 3.5 2430 1965 A 110 ASN HD21 A 110 ASN HBx 1.0 1.8 3.5 2431 1966 A 110 ASN HD22 A 110 ASN HBy 1.0 1.8 3.5 2432 1966 A 110 ASN HD22 A 110 ASN HBx 1.0 1.8 3.5 2433 1967 A 111 LYS HA A 110 ASN HBy 1.0 1.8 6.0 2434 1967 A 110 ASN HBx A 111 LYS HA 1.0 1.8 6.0 2435 1968 A 110 ASN HBx A 111 LYS HBx 1.0 1.8 5.0 2436 1968 A 110 ASN HBy A 111 LYS HBx 1.0 1.8 5.0 2437 1968 A 111 LYS HBy A 110 ASN HBy 1.0 1.8 5.0 2438 1968 A 110 ASN HBx A 111 LYS HBy 1.0 1.8 5.0 2439 1969 A 110 ASN HBy A 111 LYS HGx 1.0 1.8 5.0 2440 1969 A 110 ASN HBx A 111 LYS HGx 1.0 1.8 5.0 2441 1969 A 111 LYS HGy A 110 ASN HBy 1.0 1.8 5.0 2442 1969 A 111 LYS HGy A 110 ASN HBx 1.0 1.8 5.0 2443 1970 A 111 LYS H A 110 ASN HBy 1.0 1.8 3.5 2444 1970 A 111 LYS H A 110 ASN HBx 1.0 1.8 3.5 2445 1971 A 111 LYS H A 110 ASN HBy 1.0 1.8 5.0 2446 1972 A 111 LYS H A 110 ASN HBx 1.0 1.8 5.0 2447 1973 A 110 ASN H A 110 ASN HBy 1.0 1.8 3.5 2448 1973 A 110 ASN H A 110 ASN HBx 1.0 1.8 3.5 2449 1974 A 110 ASN H A 110 ASN HD21 1.0 1.8 5.0 2450 1975 A 110 ASN H A 110 ASN HD22 1.0 1.8 5.0 2451 1976 A 111 LYS HA A 111 LYS HDx 1.0 1.8 5.0 2452 1976 A 111 LYS HDy A 111 LYS HA 1.0 1.8 5.0 2453 1977 A 111 LYS HA A 112 LYS HGy 1.0 1.8 6.0 2454 1977 A 111 LYS HA A 112 LYS HGx 1.0 1.8 6.0 2455 1978 A 111 LYS HA A 112 LYS H 1.0 1.8 2.7 2456 1979 A 112 LYS H A 111 LYS HBx 1.0 1.8 3.5 2457 1979 A 111 LYS HBy A 112 LYS H 1.0 1.8 3.5 2458 1980 A 112 LYS H A 111 LYS HDx 1.0 1.8 5.0 2459 1980 A 111 LYS HDy A 112 LYS H 1.0 1.8 5.0 2460 1981 A 111 LYS H A 111 LYS HBx 1.0 1.8 3.5 2461 1981 A 111 LYS H A 111 LYS HBy 1.0 1.8 3.5 2462 1982 A 111 LYS H A 111 LYS HDx 1.0 1.8 5.0 2463 1982 A 111 LYS HDy A 111 LYS H 1.0 1.8 5.0 2464 1983 A 111 LYS H A 111 LYS HGx 1.0 1.8 3.5 2465 1983 A 111 LYS HGy A 111 LYS H 1.0 1.8 3.5 2466 1984 A 112 LYS HBx A 112 LYS HDx 1.0 1.8 2.7 2467 1984 A 112 LYS HBx A 112 LYS HDy 1.0 1.8 2.7 2468 1985 A 112 LYS HBx A 113 ASP HA 1.0 1.8 5.0 2469 1986 A 112 LYS HBx A 113 ASP H 1.0 1.8 3.5 2470 1987 A 113 ASP H A 112 LYS HDx 1.0 1.8 5.0 2471 1987 A 112 LYS HDy A 113 ASP H 1.0 1.8 5.0 2472 1988 A 113 ASP H A 112 LYS HGy 1.0 1.8 3.5 2473 1988 A 112 LYS HGx A 113 ASP H 1.0 1.8 3.5 2474 1989 A 113 ASP H A 112 LYS HGy 1.0 1.8 5.0 2475 1990 A 112 LYS HGx A 113 ASP H 1.0 1.8 5.0 2476 1991 A 112 LYS H A 112 LYS HDx 1.0 1.8 6.0 2477 1991 A 112 LYS H A 112 LYS HDy 1.0 1.8 6.0 2478 1992 A 112 LYS H A 112 LYS HGy 1.0 1.8 3.5 2479 1992 A 112 LYS HGx A 112 LYS H 1.0 1.8 3.5 2480 1993 A 112 LYS H A 113 ASP HBx 1.0 1.8 6.0 2481 1993 A 112 LYS H A 113 ASP HBy 1.0 1.8 6.0 2482 1994 A 112 LYS H A 113 ASP H 1.0 1.8 2.7 2483 1995 A 113 ASP HA A 114 GLY HAx 1.0 1.8 5.0 2484 1995 A 113 ASP HA A 114 GLY HAy 1.0 1.8 5.0 2485 1996 A 113 ASP HA A 114 GLY H 1.0 1.8 3.5 2486 1997 A 113 ASP HA A 115 LEU HD2% 1.0 1.8 5.0 2487 1998 A 114 GLY H A 113 ASP HBx 1.0 1.8 3.5 2488 1998 A 113 ASP HBy A 114 GLY H 1.0 1.8 3.5 2489 1999 A 115 LEU HD1% A 113 ASP HBx 1.0 1.8 5.0 2490 1999 A 113 ASP HBy A 115 LEU HD1% 1.0 1.8 5.0 2491 2000 A 115 LEU HG A 113 ASP HBx 1.0 1.8 5.0 2492 2000 A 113 ASP HBy A 115 LEU HG 1.0 1.8 5.0 2493 2001 A 113 ASP H A 113 ASP HBx 1.0 1.8 3.5 2494 2001 A 113 ASP H A 113 ASP HBy 1.0 1.8 3.5 2495 2002 A 115 LEU HA A 114 GLY HAx 1.0 1.8 5.0 2496 2002 A 114 GLY HAy A 115 LEU HA 1.0 1.8 5.0 2497 2003 A 115 LEU HG A 114 GLY HAx 1.0 1.8 5.0 2498 2003 A 114 GLY HAy A 115 LEU HG 1.0 1.8 5.0 2499 2004 A 115 LEU H A 114 GLY HAx 1.0 1.8 3.5 2500 2004 A 114 GLY HAy A 115 LEU H 1.0 1.8 3.5 2501 2005 A 114 GLY H A 114 GLY HAx 1.0 1.8 2.7 2502 2005 A 114 GLY HAy A 114 GLY H 1.0 1.8 2.7 2503 2006 A 114 GLY H A 115 LEU HD2% 1.0 1.8 5.0 2504 2007 A 114 GLY H A 115 LEU H 1.0 1.8 2.7 2505 2008 A 115 LEU HD1% A 115 LEU HA 1.0 1.8 5.0 2506 2009 A 115 LEU HD2% A 115 LEU HA 1.0 1.8 2.7 2507 2010 A 115 LEU HG A 115 LEU HA 1.0 1.8 3.5 2508 2011 A 115 LEU HD2% A 115 LEU HBy 1.0 1.8 3.5 2509 2012 A 115 LEU HBy A 116 GLU H 1.0 1.8 5.0 2510 2013 A 115 LEU HD1% A 115 LEU HBx 1.0 1.8 3.5 2511 2014 A 116 GLU H A 115 LEU HBx 1.0 1.8 3.5 2512 2015 A 115 LEU HD1% A 116 GLU H 1.0 1.8 5.0 2513 2016 A 115 LEU HD2% A 116 GLU H 1.0 1.8 5.0 2514 2017 A 115 LEU H A 115 LEU HBx 1.0 1.8 3.5 2515 2018 A 115 LEU HD1% A 115 LEU H 1.0 1.8 5.0 2516 2019 A 115 LEU HD2% A 115 LEU H 1.0 1.8 3.5 2517 2020 A 115 LEU HG A 115 LEU H 1.0 1.8 3.5 2518 2021 A 115 LEU H A 116 GLU H 1.0 1.8 3.5 2519 2022 A 116 GLU HA A 116 GLU HGx 1.0 1.8 3.5 2520 2022 A 116 GLU HA A 116 GLU HGy 1.0 1.8 3.5 2521 2023 A 116 GLU HA A 117 HIS H 1.0 1.8 3.5 2522 2024 A 117 HIS H A 116 GLU HGx 1.0 1.8 5.0 2523 2024 A 116 GLU HGy A 117 HIS H 1.0 1.8 5.0 2524 2025 A 116 GLU HGy A 117 HIS H 1.0 1.8 5.0 2525 2026 A 117 HIS H A 116 GLU HGx 1.0 1.8 5.0 2526 2027 A 116 GLU H A 116 GLU HBy 1.0 1.8 3.5 2527 2027 A 116 GLU H A 116 GLU HBx 1.0 1.8 3.5 2528 2028 A 116 GLU H A 116 GLU HGy 1.0 1.8 5.0 2529 2029 A 116 GLU H A 116 GLU HGx 1.0 1.8 5.0 2530 2030 A 117 HIS HA A 118 HIS H 1.0 1.8 3.5 2531 2031 A 118 HIS H A 117 HIS HBx 1.0 1.8 3.5 2532 2031 A 118 HIS H A 117 HIS HBy 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 GLU H A 41 ARG O 1.0 1.7 2.3 2 2 A 41 ARG O A 3 GLU N 1.0 2.7 3.3 3 3 A 5 ILE H A 39 GLY O 1.0 1.7 2.3 4 4 A 39 GLY O A 5 ILE N 1.0 2.7 3.3 5 5 A 7 ARG H A 37 GLN O 1.0 1.7 2.3 6 6 A 37 GLN O A 7 ARG N 1.0 2.7 3.3 7 7 A 9 GLN H A 35 PHE O 1.0 1.7 2.3 8 8 A 35 PHE O A 9 GLN N 1.0 2.7 3.3 9 9 A 11 VAL H A 33 LEU O 1.0 1.7 2.3 10 10 A 33 LEU O A 11 VAL N 1.0 2.7 3.3 11 11 A 13 GLN H A 31 VAL O 1.0 1.7 2.3 12 12 A 31 VAL O A 13 GLN N 1.0 2.7 3.3 13 13 A 15 ILE H A 29 HIS O 1.0 1.7 2.3 14 14 A 29 HIS O A 15 ILE N 1.0 2.7 3.3 15 15 A 16 HIS H A 98 GLU O 1.0 1.7 2.3 16 16 A 98 GLU O A 16 HIS N 1.0 2.7 3.3 17 17 A 17 TYR H A 26 HIS O 1.0 1.7 2.3 18 18 A 26 HIS O A 17 TYR N 1.0 2.7 3.3 19 19 A 18 ARG H A 100 VAL O 1.0 1.7 2.3 20 20 A 100 VAL O A 18 ARG N 1.0 2.7 3.3 21 21 A 19 TYR H A 23 ALA O 1.0 1.7 2.3 22 22 A 23 ALA O A 19 TYR N 1.0 2.7 3.3 23 23 A 20 GLU H A 102 TYR O 1.0 1.7 2.3 24 24 A 102 TYR O A 20 GLU N 1.0 2.7 3.3 25 25 A 22 GLY H A 19 TYR O 1.0 1.7 2.3 26 26 A 19 TYR O A 22 GLY N 1.0 2.7 3.3 27 27 A 25 ALA H A 17 TYR O 1.0 1.7 2.3 28 28 A 17 TYR O A 25 ALA N 1.0 2.7 3.3 29 29 A 29 HIS H A 15 ILE O 1.0 1.7 2.3 30 30 A 15 ILE O A 29 HIS N 1.0 2.7 3.3 31 31 A 31 VAL H A 13 GLN O 1.0 1.7 2.3 32 32 A 13 GLN O A 31 VAL N 1.0 2.7 3.3 33 33 A 33 LEU H A 11 VAL O 1.0 1.7 2.3 34 34 A 11 VAL O A 33 LEU N 1.0 2.7 3.3 35 35 A 35 PHE H A 9 GLN O 1.0 1.7 2.3 36 36 A 9 GLN O A 35 PHE N 1.0 2.7 3.3 37 37 A 37 GLN H A 7 ARG O 1.0 1.7 2.3 38 38 A 7 ARG O A 37 GLN N 1.0 2.7 3.3 39 39 A 39 GLY H A 5 ILE O 1.0 1.7 2.3 40 40 A 5 ILE O A 39 GLY N 1.0 2.7 3.3 41 41 A 40 LYS H A 49 ILE O 1.0 1.7 2.3 42 42 A 49 ILE O A 40 LYS N 1.0 2.7 3.3 43 43 A 41 ARG H A 3 GLU O 1.0 1.7 2.3 44 44 A 3 GLU O A 41 ARG N 1.0 2.7 3.3 45 45 A 42 ASP H A 47 LYS O 1.0 1.7 2.3 46 46 A 47 LYS O A 42 ASP N 1.0 2.7 3.3 47 47 A 43 LEU H A 1 MET O 1.0 1.7 2.3 48 48 A 1 MET O A 43 LEU N 1.0 2.7 3.3 49 49 A 46 GLY H A 42 ASP O 1.0 1.7 2.3 50 50 A 42 ASP O A 46 GLY N 1.0 2.7 3.3 51 51 A 49 ILE H A 40 LYS O 1.0 1.7 2.3 52 52 A 40 LYS O A 49 ILE N 1.0 2.7 3.3 53 53 A 54 TRP H A 51 ASP O 1.0 1.7 2.3 54 54 A 51 ASP O A 54 TRP N 1.0 2.7 3.3 55 55 A 56 LEU H A 85 VAL O 1.0 1.7 2.3 56 56 A 85 VAL O A 56 LEU N 1.0 2.7 3.3 57 57 A 58 GLN H A 83 VAL O 1.0 1.7 2.3 58 58 A 83 VAL O A 58 GLN N 1.0 2.7 3.3 59 59 A 72 THR H A 103 SER O 1.0 1.7 2.3 60 60 A 103 SER O A 72 THR N 1.0 2.7 3.3 61 61 A 74 ASP H A 101 ILE O 1.0 1.7 2.3 62 62 A 101 ILE O A 74 ASP N 1.0 2.7 3.3 63 63 A 81 ASP H A 60 PHE O 1.0 1.7 2.3 64 64 A 60 PHE O A 81 ASP N 1.0 2.7 3.3 65 65 A 83 VAL H A 58 GLN O 1.0 1.7 2.3 66 66 A 58 GLN O A 83 VAL N 1.0 2.7 3.3 67 67 A 85 VAL H A 56 LEU O 1.0 1.7 2.3 68 68 A 56 LEU O A 85 VAL N 1.0 2.7 3.3 69 69 A 87 SER H A 54 TRP O 1.0 1.7 2.3 70 70 A 54 TRP O A 87 SER N 1.0 2.7 3.3 71 71 A 98 GLU H A 14 THR O 1.0 1.7 2.3 72 72 A 14 THR O A 98 GLU N 1.0 2.7 3.3 73 73 A 100 VAL H A 16 HIS O 1.0 1.7 2.3 74 74 A 16 HIS O A 100 VAL N 1.0 2.7 3.3 75 75 A 102 TYR H A 18 ARG O 1.0 1.7 2.3 76 76 A 18 ARG O A 102 TYR N 1.0 2.7 3.3 77 77 A 103 SER H A 72 THR O 1.0 1.7 2.3 78 78 A 72 THR O A 103 SER N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 1 MET C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -143.8 -103.8 PHI 2 2 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 GLU N 1.0 94.4 178.0 PSI 3 3 A 2 ILE C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -169.6 -84.0 PHI 4 4 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 PRO N 1.0 105.3 188.3 PSI 5 5 A 4 PRO N A 4 PRO CA A 4 PRO C A 5 ILE N 1.0 127.7 176.1 PSI 6 6 A 4 PRO C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -177.1 -76.3 PHI 7 7 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LYS N 1.0 138.2 186.6 PSI 8 8 A 5 ILE C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -169.9 -109.7 PHI 9 9 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ARG N 1.0 134.7 174.7 PSI 10 10 A 6 LYS C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -179.4 -88.6 PHI 11 11 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 THR N 1.0 113.2 171.4 PSI 12 12 A 7 ARG C A 8 THR N A 8 THR CA A 8 THR C 1.0 -148.5 -85.5 PHI 13 13 A 8 THR N A 8 THR CA A 8 THR C A 9 GLN N 1.0 106.9 146.9 PSI 14 14 A 8 THR C A 9 GLN N A 9 GLN CA A 9 GLN C 1.0 -148.0 -72.0 PHI 15 15 A 9 GLN N A 9 GLN CA A 9 GLN C A 10 VAL N 1.0 89.7 149.1 PSI 16 16 A 9 GLN C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -133.0 -91.4 PHI 17 17 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 VAL N 1.0 104.5 144.5 PSI 18 18 A 10 VAL C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -134.6 -93.8 PHI 19 19 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 THR N 1.0 107.4 148.2 PSI 20 20 A 11 VAL C A 12 THR N A 12 THR CA A 12 THR C 1.0 -136.1 -96.1 PHI 21 21 A 12 THR N A 12 THR CA A 12 THR C A 13 GLN N 1.0 105.6 151.6 PSI 22 22 A 12 THR C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -146.6 -72.4 PHI 23 23 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 THR N 1.0 97.2 137.2 PSI 24 24 A 13 GLN C A 14 THR N A 14 THR CA A 14 THR C 1.0 -143.6 -76.8 PHI 25 25 A 14 THR N A 14 THR CA A 14 THR C A 15 ILE N 1.0 107.5 147.5 PSI 26 26 A 14 THR C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -136.9 -78.7 PHI 27 27 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 HIS N 1.0 95.9 176.9 PSI 28 28 A 15 ILE C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -176.3 -72.1 PHI 29 29 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 TYR N 1.0 109.5 168.5 PSI 30 30 A 16 HIS C A 17 TYR N A 17 TYR CA A 17 TYR C 1.0 -154.5 -78.5 PHI 31 31 A 17 TYR N A 17 TYR CA A 17 TYR C A 18 ARG N 1.0 105.6 166.0 PSI 32 32 A 17 TYR C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -171.3 -94.5 PHI 33 33 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 TYR N 1.0 123.0 189.4 PSI 34 34 A 18 ARG C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -125.2 -28.4 PHI 35 35 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 GLU N 1.0 122.7 187.5 PSI 36 36 A 19 TYR C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -78.2 -38.2 PHI 37 37 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 ASP N 1.0 -51.5 -3.3 PSI 38 38 A 20 GLU C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -104.5 -64.5 PHI 39 39 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 GLY N 1.0 -17.0 23.0 PSI 40 40 A 21 ASP C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 69.6 109.6 PHI 41 41 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 ALA N 1.0 -24.1 15.9 PSI 42 42 A 22 GLY C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -117.7 -56.9 PHI 43 43 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 VAL N 1.0 103.0 178.6 PSI 44 44 A 24 VAL C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -125.8 -60.6 PHI 45 45 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 HIS N 1.0 -57.4 14.4 PSI 46 46 A 25 ALA C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -176.5 -44.9 PHI 47 47 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 ASP N 1.0 63.2 203.2 PSI 48 48 A 29 HIS C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -141.3 -92.7 PHI 49 49 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 VAL N 1.0 115.4 156.4 PSI 50 50 A 30 VAL C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -168.0 -103.8 PHI 51 51 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 SER N 1.0 118.5 177.1 PSI 52 52 A 31 VAL C A 32 SER N A 32 SER CA A 32 SER C 1.0 -155.9 -79.1 PHI 53 53 A 32 SER N A 32 SER CA A 32 SER C A 33 LEU N 1.0 106.2 165.0 PSI 54 54 A 32 SER C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -167.1 -99.5 PHI 55 55 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 ILE N 1.0 124.6 169.0 PSI 56 56 A 33 LEU C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -126.8 -83.6 PHI 57 57 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 PHE N 1.0 106.0 146.0 PSI 58 58 A 34 ILE C A 35 PHE N A 35 PHE CA A 35 PHE C 1.0 -142.1 -81.1 PHI 59 59 A 35 PHE N A 35 PHE CA A 35 PHE C A 36 THR N 1.0 102.0 151.4 PSI 60 60 A 35 PHE C A 36 THR N A 36 THR CA A 36 THR C 1.0 -159.6 -75.8 PHI 61 61 A 36 THR N A 36 THR CA A 36 THR C A 37 GLN N 1.0 103.6 143.6 PSI 62 62 A 37 GLN C A 38 SER N A 38 SER CA A 38 SER C 1.0 -206.1 -66.1 PHI 63 63 A 38 SER N A 38 SER CA A 38 SER C A 39 GLY N 1.0 137.5 181.3 PSI 64 64 A 39 GLY C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -162.9 -92.5 PHI 65 65 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 ARG N 1.0 114.7 161.9 PSI 66 66 A 40 LYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -151.2 -96.2 PHI 67 67 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 ASP N 1.0 99.2 153.8 PSI 68 68 A 41 ARG C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -136.1 -44.7 PHI 69 69 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 LEU N 1.0 68.8 167.4 PSI 70 70 A 42 ASP C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -82.2 -42.2 PHI 71 71 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 THR N 1.0 -48.4 -3.8 PSI 72 72 A 43 LEU C A 44 THR N A 44 THR CA A 44 THR C 1.0 -94.1 -52.1 PHI 73 73 A 44 THR N A 44 THR CA A 44 THR C A 45 ASN N 1.0 -54.4 -11.6 PSI 74 74 A 44 THR C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -111.7 -68.5 PHI 75 75 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 GLY N 1.0 -27.8 21.0 PSI 76 76 A 45 ASN C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 24.5 99.7 PHI 77 77 A 46 GLY N A 46 GLY CA A 46 GLY C A 47 LYS N 1.0 -2.5 82.5 PSI 78 78 A 47 LYS C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -179.0 -39.0 PHI 79 79 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 ILE N 1.0 104.7 193.7 PSI 80 80 A 48 GLU C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -138.6 -53.6 PHI 81 81 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 TRP N 1.0 85.3 153.3 PSI 82 82 A 49 ILE C A 50 TRP N A 50 TRP CA A 50 TRP C 1.0 -154.2 -80.6 PHI 83 83 A 50 TRP N A 50 TRP CA A 50 TRP C A 51 ASP N 1.0 82.3 175.9 PSI 84 84 A 50 TRP C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -108.8 -45.8 PHI 85 85 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 SER N 1.0 95.3 170.1 PSI 86 86 A 51 ASP C A 52 SER N A 52 SER CA A 52 SER C 1.0 -81.6 -41.6 PHI 87 87 A 52 SER N A 52 SER CA A 52 SER C A 53 LYS N 1.0 -44.0 -4.0 PSI 88 88 A 52 SER C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -120.8 -66.0 PHI 89 89 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 TRP N 1.0 -36.8 38.0 PSI 90 90 A 54 TRP C A 55 SER N A 55 SER CA A 55 SER C 1.0 -153.3 -50.3 PHI 91 91 A 55 SER N A 55 SER CA A 55 SER C A 56 LEU N 1.0 72.2 163.0 PSI 92 92 A 55 SER C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -162.6 -62.4 PHI 93 93 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 THR N 1.0 103.9 152.9 PSI 94 94 A 56 LEU C A 57 THR N A 57 THR CA A 57 THR C 1.0 -138.4 -98.4 PHI 95 95 A 57 THR N A 57 THR CA A 57 THR C A 58 GLN N 1.0 111.5 153.1 PSI 96 96 A 57 THR C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -178.5 -111.9 PHI 97 97 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 THR N 1.0 124.8 188.0 PSI 98 98 A 58 GLN C A 59 THR N A 59 THR CA A 59 THR C 1.0 -151.5 -54.9 PHI 99 99 A 59 THR N A 59 THR CA A 59 THR C A 60 PHE N 1.0 89.4 178.4 PSI 100 100 A 59 THR C A 60 PHE N A 60 PHE CA A 60 PHE C 1.0 -113.9 -64.7 PHI 101 101 A 60 PHE N A 60 PHE CA A 60 PHE C A 61 GLU N 1.0 96.2 165.6 PSI 102 102 A 66 PRO N A 66 PRO CA A 66 PRO C A 67 VAL N 1.0 121.6 172.0 PSI 103 103 A 66 PRO C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -165.8 -25.8 PHI 104 104 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 ILE N 1.0 110.3 153.5 PSI 105 105 A 67 VAL C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -146.0 -73.8 PHI 106 106 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 ILE N 1.0 98.7 151.3 PSI 107 107 A 68 ILE C A 69 ILE N A 69 ILE CA A 69 ILE C 1.0 -142.2 -25.4 PHI 108 108 A 69 ILE N A 69 ILE CA A 69 ILE C A 70 GLY N 1.0 81.0 158.2 PSI 109 109 A 70 GLY C A 71 TYR N A 71 TYR CA A 71 TYR C 1.0 -170.0 -101.6 PHI 110 110 A 71 TYR N A 71 TYR CA A 71 TYR C A 72 THR N 1.0 119.3 185.7 PSI 111 111 A 71 TYR C A 72 THR N A 72 THR CA A 72 THR C 1.0 -161.6 -82.2 PHI 112 112 A 72 THR N A 72 THR CA A 72 THR C A 73 ALA N 1.0 106.1 146.1 PSI 113 113 A 72 THR C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -135.1 -63.1 PHI 114 114 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 ASP N 1.0 40.2 180.2 PSI 115 115 A 74 ASP C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -149.0 -44.0 PHI 116 116 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 PRO N 1.0 84.6 221.4 PSI 117 117 A 76 PRO N A 76 PRO CA A 76 PRO C A 77 MET N 1.0 -3.8 59.8 PSI 118 118 A 76 PRO C A 77 MET N A 77 MET CA A 77 MET C 1.0 -146.1 -64.3 PHI 119 119 A 77 MET N A 77 MET CA A 77 MET C A 78 VAL N 1.0 79.5 168.5 PSI 120 120 A 77 MET C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -129.9 -57.3 PHI 121 121 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 GLY N 1.0 110.8 152.6 PSI 122 122 A 82 GLU C A 83 VAL N A 83 VAL CA A 83 VAL C 1.0 -156.6 -71.6 PHI 123 123 A 83 VAL N A 83 VAL CA A 83 VAL C A 84 THR N 1.0 103.0 143.0 PSI 124 124 A 83 VAL C A 84 THR N A 84 THR CA A 84 THR C 1.0 -145.5 -91.7 PHI 125 125 A 84 THR N A 84 THR CA A 84 THR C A 85 VAL N 1.0 97.6 137.6 PSI 126 126 A 84 THR C A 85 VAL N A 85 VAL CA A 85 VAL C 1.0 -137.8 -97.8 PHI 127 127 A 85 VAL N A 85 VAL CA A 85 VAL C A 86 ASP N 1.0 113.2 153.2 PSI 128 128 A 85 VAL C A 86 ASP N A 86 ASP CA A 86 ASP C 1.0 -160.6 -67.2 PHI 129 129 A 86 ASP N A 86 ASP CA A 86 ASP C A 87 SER N 1.0 150.7 199.1 PSI 130 130 A 86 ASP C A 87 SER N A 87 SER CA A 87 SER C 1.0 -77.2 -37.2 PHI 131 131 A 87 SER N A 87 SER CA A 87 SER C A 88 LYS N 1.0 -54.2 -14.2 PSI 132 132 A 87 SER C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -84.4 -44.4 PHI 133 133 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 ASN N 1.0 -63.6 -18.8 PSI 134 134 A 88 LYS C A 89 ASN N A 89 ASN CA A 89 ASN C 1.0 -114.6 -41.2 PHI 135 135 A 89 ASN N A 89 ASN CA A 89 ASN C A 90 PHE N 1.0 -74.3 26.7 PSI 136 136 A 89 ASN C A 90 PHE N A 90 PHE CA A 90 PHE C 1.0 -81.5 -41.5 PHI 137 137 A 90 PHE N A 90 PHE CA A 90 PHE C A 91 LEU N 1.0 -57.5 -17.5 PSI 138 138 A 90 PHE C A 91 LEU N A 91 LEU CA A 91 LEU C 1.0 -127.7 -46.7 PHI 139 139 A 91 LEU N A 91 LEU CA A 91 LEU C A 92 ASP N 1.0 -34.0 23.8 PSI 140 140 A 91 LEU C A 92 ASP N A 92 ASP CA A 92 ASP C 1.0 -100.9 -52.7 PHI 141 141 A 92 ASP N A 92 ASP CA A 92 ASP C A 93 LYS N 1.0 117.8 173.6 PSI 142 142 A 96 ARG C A 97 GLU N A 97 GLU CA A 97 GLU C 1.0 -144.4 -92.4 PHI 143 143 A 97 GLU N A 97 GLU CA A 97 GLU C A 98 GLU N 1.0 108.3 148.3 PSI 144 144 A 97 GLU C A 98 GLU N A 98 GLU CA A 98 GLU C 1.0 -151.1 -96.3 PHI 145 145 A 98 GLU N A 98 GLU CA A 98 GLU C A 99 THR N 1.0 112.5 170.9 PSI 146 146 A 98 GLU C A 99 THR N A 99 THR CA A 99 THR C 1.0 -138.8 -59.6 PHI 147 147 A 99 THR N A 99 THR CA A 99 THR C A 100 VAL N 1.0 97.8 141.8 PSI 148 148 A 99 THR C A 100 VAL N A 100 VAL CA A 100 VAL C 1.0 -147.2 -75.0 PHI 149 149 A 100 VAL N A 100 VAL CA A 100 VAL C A 101 ILE N 1.0 101.3 141.3 PSI 150 150 A 100 VAL C A 101 ILE N A 101 ILE CA A 101 ILE C 1.0 -139.6 -83.8 PHI 151 151 A 101 ILE N A 101 ILE CA A 101 ILE C A 102 TYR N 1.0 91.0 163.0 PSI 152 152 A 101 ILE C A 102 TYR N A 102 TYR CA A 102 TYR C 1.0 -128.0 -50.8 PHI 153 153 A 102 TYR N A 102 TYR CA A 102 TYR C A 103 SER N 1.0 97.3 183.1 PSI 154 154 A 102 TYR C A 103 SER N A 103 SER CA A 103 SER C 1.0 -113.7 -47.9 PHI 155 155 A 103 SER N A 103 SER CA A 103 SER C A 104 ALA N 1.0 67.9 173.7 PSI 156 156 A 104 ALA C A 105 ASN N A 105 ASN CA A 105 ASN C 1.0 -162.7 -22.7 PHI 157 157 A 105 ASN N A 105 ASN CA A 105 ASN C A 106 THR N 1.0 73.4 213.4 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 GLU N A 3 GLU H 1.0 . . . 2 2 A 7 ARG N A 7 ARG H 1.0 . . . 3 3 A 8 THR N A 8 THR H 1.0 . . . 4 4 A 9 GLN N A 9 GLN H 1.0 . . . 5 5 A 11 VAL N A 11 VAL H 1.0 . . . 6 6 A 13 GLN N A 13 GLN H 1.0 . . . 7 7 A 17 TYR N A 17 TYR H 1.0 . . . 8 8 A 18 ARG N A 18 ARG H 1.0 . . . 9 9 A 33 LEU N A 33 LEU H 1.0 . . . 10 10 A 35 PHE N A 35 PHE H 1.0 . . . 11 11 A 37 GLN N A 37 GLN H 1.0 . . . 12 12 A 39 GLY N A 39 GLY H 1.0 . . . 13 13 A 41 ARG N A 41 ARG H 1.0 . . . 14 14 A 44 THR N A 44 THR H 1.0 . . . 15 15 A 45 ASN N A 45 ASN H 1.0 . . . 16 16 A 49 ILE N A 49 ILE H 1.0 . . . 17 17 A 50 TRP N A 50 TRP H 1.0 . . . 18 18 A 55 SER N A 55 SER H 1.0 . . . 19 19 A 56 LEU N A 56 LEU H 1.0 . . . 20 20 A 70 GLY N A 70 GLY H 1.0 . . . 21 21 A 72 THR N A 72 THR H 1.0 . . . 22 22 A 74 ASP N A 74 ASP H 1.0 . . . 23 23 A 75 LYS N A 75 LYS H 1.0 . . . 24 24 A 82 GLU N A 82 GLU H 1.0 . . . 25 25 A 85 VAL N A 85 VAL H 1.0 . . . 26 26 A 99 THR N A 99 THR H 1.0 . . . 27 27 A 100 VAL N A 100 VAL H 1.0 . . . 28 28 A 101 ILE N A 101 ILE H 1.0 . . . 29 29 A 102 TYR N A 102 TYR H 1.0 . . . 30 30 A 103 SER N A 103 SER H 1.0 . . . 31 31 A 104 ALA N A 104 ALA H 1.0 . . . stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 GLU N A 3 GLU H 1.0 . . . 2 2 A 5 ILE N A 5 ILE H 1.0 . . . 3 3 A 7 ARG N A 7 ARG H 1.0 . . . 4 4 A 8 THR N A 8 THR H 1.0 . . . 5 5 A 9 GLN N A 9 GLN H 1.0 . . . 6 6 A 11 VAL N A 11 VAL H 1.0 . . . 7 7 A 13 GLN N A 13 GLN H 1.0 . . . 8 8 A 17 TYR N A 17 TYR H 1.0 . . . 9 9 A 18 ARG N A 18 ARG H 1.0 . . . 10 10 A 33 LEU N A 33 LEU H 1.0 . . . 11 11 A 35 PHE N A 35 PHE H 1.0 . . . 12 12 A 37 GLN N A 37 GLN H 1.0 . . . 13 13 A 39 GLY N A 39 GLY H 1.0 . . . 14 14 A 41 ARG N A 41 ARG H 1.0 . . . 15 15 A 44 THR N A 44 THR H 1.0 . . . 16 16 A 45 ASN N A 45 ASN H 1.0 . . . 17 17 A 49 ILE N A 49 ILE H 1.0 . . . 18 18 A 50 TRP N A 50 TRP H 1.0 . . . 19 19 A 55 SER N A 55 SER H 1.0 . . . 20 20 A 56 LEU N A 56 LEU H 1.0 . . . 21 21 A 70 GLY N A 70 GLY H 1.0 . . . 22 22 A 72 THR N A 72 THR H 1.0 . . . 23 23 A 74 ASP N A 74 ASP H 1.0 . . . 24 24 A 75 LYS N A 75 LYS H 1.0 . . . 25 25 A 82 GLU N A 82 GLU H 1.0 . . . 26 26 A 85 VAL N A 85 VAL H 1.0 . . . 27 27 A 99 THR N A 99 THR H 1.0 . . . 28 28 A 101 ILE N A 101 ILE H 1.0 . . . 29 29 A 102 TYR N A 102 TYR H 1.0 . . . 30 30 A 103 SER N A 103 SER H 1.0 . . . 31 31 A 104 ALA N A 104 ALA H 1.0 . . . stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2498.1 2 1H 10204.082 3 1H 15243.902 stop_ save_ save_Cnoesy_aliph.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_aliph.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 13888.889 2 1H 10204.248 3 1H 12755.102 stop_ save_ save_Cnoesy_arom.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_arom.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 6414.368 2 1H 9354.537 3 1H 15243.902 stop_ save_ save_4D_ccnoesy_d2o.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4D_ccnoesy_d2o.list _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3121.3 2 13C 3121.3 3 1H 4197.272 4 1H 8000.000 stop_ save_