data_nef_c17175_2l3a save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 LYS middle . . 3 A 3 LYS middle . . 4 A 4 MET middle . . 5 A 5 ALA middle . . 6 A 6 GLU middle . . 7 A 7 PHE middle . . 8 A 8 THR middle . . 9 A 9 PHE middle . . 10 A 10 GLU middle . . 11 A 11 ILE middle . . 12 A 12 GLU middle . . 13 A 13 GLU middle . . 14 A 14 HIS middle . . 15 A 15 LEU middle . . 16 A 16 LEU middle . . 17 A 17 THR middle . . 18 A 18 LEU middle . . 19 A 19 SER middle . . 20 A 20 GLU middle . . 21 A 21 ASN middle . . 22 A 22 GLU middle . . 23 A 23 LYS middle . . 24 A 24 GLY middle . false 25 A 25 TRP middle . . 26 A 26 THR middle . . 27 A 27 LYS middle . . 28 A 28 GLU middle . . 29 A 29 ILE middle . . 30 A 30 ASN middle . . 31 A 31 ARG middle . . 32 A 32 VAL middle . . 33 A 33 SER middle . . 34 A 34 PHE middle . . 35 A 35 ASN middle . . 36 A 36 GLY middle . false 37 A 37 ALA middle . . 38 A 38 PRO middle . false 39 A 39 ALA middle . . 40 A 40 LYS middle . . 41 A 41 PHE middle . . 42 A 42 ASP middle . . 43 A 43 ILE middle . . 44 A 44 ARG middle . . 45 A 45 ALA middle . . 46 A 46 TRP middle . . 47 A 47 SER middle . . 48 A 48 PRO middle . false 49 A 49 ASP middle . . 50 A 50 HIS middle . . 51 A 51 THR middle . . 52 A 52 LYS middle . . 53 A 53 MET middle . . 54 A 54 GLY middle . false 55 A 55 LYS middle . . 56 A 56 GLY middle . false 57 A 57 ILE middle . . 58 A 58 THR middle . . 59 A 59 LEU middle . . 60 A 60 SER middle . . 61 A 61 ASN middle . . 62 A 62 GLU middle . . 63 A 63 GLU middle . . 64 A 64 PHE middle . . 65 A 65 GLN middle . . 66 A 66 THR middle . . 67 A 67 MET middle . . 68 A 68 VAL middle . . 69 A 69 ASP middle . . 70 A 70 ALA middle . . 71 A 71 PHE middle . . 72 A 72 LYS middle . . 73 A 73 GLY middle . false 74 A 74 ASN middle . . 75 A 75 LEU middle . . 76 A 76 GLU middle . . 77 A 77 HIS middle . . 78 A 78 HIS middle . . 79 A 79 HIS middle . . 80 A 80 HIS middle . . 81 A 81 HIS middle . . 82 A 82 HIS end . . 83 B 1 MET start . . 84 B 2 LYS middle . . 85 B 3 LYS middle . . 86 B 4 MET middle . . 87 B 5 ALA middle . . 88 B 6 GLU middle . . 89 B 7 PHE middle . . 90 B 8 THR middle . . 91 B 9 PHE middle . . 92 B 10 GLU middle . . 93 B 11 ILE middle . . 94 B 12 GLU middle . . 95 B 13 GLU middle . . 96 B 14 HIS middle . . 97 B 15 LEU middle . . 98 B 16 LEU middle . . 99 B 17 THR middle . . 100 B 18 LEU middle . . 101 B 19 SER middle . . 102 B 20 GLU middle . . 103 B 21 ASN middle . . 104 B 22 GLU middle . . 105 B 23 LYS middle . . 106 B 24 GLY middle . false 107 B 25 TRP middle . . 108 B 26 THR middle . . 109 B 27 LYS middle . . 110 B 28 GLU middle . . 111 B 29 ILE middle . . 112 B 30 ASN middle . . 113 B 31 ARG middle . . 114 B 32 VAL middle . . 115 B 33 SER middle . . 116 B 34 PHE middle . . 117 B 35 ASN middle . . 118 B 36 GLY middle . false 119 B 37 ALA middle . . 120 B 38 PRO middle . false 121 B 39 ALA middle . . 122 B 40 LYS middle . . 123 B 41 PHE middle . . 124 B 42 ASP middle . . 125 B 43 ILE middle . . 126 B 44 ARG middle . . 127 B 45 ALA middle . . 128 B 46 TRP middle . . 129 B 47 SER middle . . 130 B 48 PRO middle . false 131 B 49 ASP middle . . 132 B 50 HIS middle . . 133 B 51 THR middle . . 134 B 52 LYS middle . . 135 B 53 MET middle . . 136 B 54 GLY middle . false 137 B 55 LYS middle . . 138 B 56 GLY middle . false 139 B 57 ILE middle . . 140 B 58 THR middle . . 141 B 59 LEU middle . . 142 B 60 SER middle . . 143 B 61 ASN middle . . 144 B 62 GLU middle . . 145 B 63 GLU middle . . 146 B 64 PHE middle . . 147 B 65 GLN middle . . 148 B 66 THR middle . . 149 B 67 MET middle . . 150 B 68 VAL middle . . 151 B 69 ASP middle . . 152 B 70 ALA middle . . 153 B 71 PHE middle . . 154 B 72 LYS middle . . 155 B 73 GLY middle . false 156 B 74 ASN middle . . 157 B 75 LEU middle . . 158 B 76 GLU middle . . 159 B 77 HIS middle . . 160 B 78 HIS middle . . 161 B 79 HIS middle . . 162 B 80 HIS middle . . 163 B 81 HIS middle . . 164 B 82 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.11 0.02 A 1 MET HBx H 1 2.13 0.02 A 1 MET HBy H 1 2.13 0.02 A 1 MET HE% H 1 2.08 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 0.2 A 1 MET CA C 13 55 0.2 A 1 MET CB C 13 32.9 0.2 A 1 MET CE C 13 16.8 0.2 A 1 MET CG C 13 30.8 0.2 A 2 LYS H H 1 8.69 0.02 A 2 LYS HA H 1 4.32 0.02 A 2 LYS HBy H 1 1.76 0.02 A 2 LYS HBx H 1 1.7 0.02 A 2 LYS HDx H 1 1.64 0.02 A 2 LYS HDy H 1 1.64 0.02 A 2 LYS HEx H 1 2.95 0.02 A 2 LYS HEy H 1 2.95 0.02 A 2 LYS HGx H 1 1.38 0.02 A 2 LYS HGy H 1 1.38 0.02 A 2 LYS C C 13 175.7 0.2 A 2 LYS CA C 13 56.4 0.2 A 2 LYS CB C 13 33.2 0.2 A 2 LYS CD C 13 29.2 0.2 A 2 LYS CE C 13 42.2 0.2 A 2 LYS CG C 13 24.7 0.2 A 2 LYS N N 15 125 0.2 A 3 LYS H H 1 8.49 0.02 A 3 LYS HA H 1 4.25 0.02 A 3 LYS HBy H 1 1.76 0.02 A 3 LYS HBx H 1 1.7 0.02 A 3 LYS HDx H 1 1.64 0.02 A 3 LYS HDy H 1 1.64 0.02 A 3 LYS HEx H 1 2.95 0.02 A 3 LYS HEy H 1 2.95 0.02 A 3 LYS HGx H 1 1.38 0.02 A 3 LYS HGy H 1 1.38 0.02 A 3 LYS C C 13 176.3 0.2 A 3 LYS CA C 13 56.4 0.2 A 3 LYS CB C 13 33.2 0.2 A 3 LYS CD C 13 29.2 0.2 A 3 LYS CE C 13 42.2 0.2 A 3 LYS CG C 13 24.7 0.2 A 3 LYS N N 15 124.2 0.2 A 4 MET H H 1 8.48 0.02 A 4 MET HA H 1 4.42 0.02 A 4 MET HBy H 1 2.04 0.02 A 4 MET HBx H 1 1.96 0.02 A 4 MET HE% H 1 2.05 0.02 A 4 MET HGy H 1 2.58 0.02 A 4 MET HGx H 1 2.51 0.02 A 4 MET C C 13 175.7 0.2 A 4 MET CA C 13 55.3 0.2 A 4 MET CB C 13 33 0.2 A 4 MET CE C 13 17 0.2 A 4 MET CG C 13 32.1 0.2 A 4 MET N N 15 123.1 0.2 A 5 ALA H H 1 8.34 0.02 A 5 ALA HA H 1 4.25 0.02 A 5 ALA HB% H 1 1.33 0.02 A 5 ALA C C 13 177.2 0.2 A 5 ALA CA C 13 52.5 0.2 A 5 ALA CB C 13 19.4 0.2 A 5 ALA N N 15 125.5 0.2 A 6 GLU H H 1 8.34 0.02 A 6 GLU HA H 1 4.22 0.02 A 6 GLU HBy H 1 1.96 0.02 A 6 GLU HBx H 1 1.86 0.02 A 6 GLU HGy H 1 2.22 0.02 A 6 GLU HGx H 1 2.15 0.02 A 6 GLU C C 13 175.6 0.2 A 6 GLU CA C 13 56.4 0.2 A 6 GLU CB C 13 30.2 0.2 A 6 GLU CG C 13 35.4 0.2 A 6 GLU N N 15 120.3 0.2 A 7 PHE H H 1 8.2 0.02 A 7 PHE HA H 1 5.06 0.02 A 7 PHE HBy H 1 3.15 0.02 A 7 PHE HBx H 1 3.1 0.02 A 7 PHE HDx H 1 7.32 0.02 A 7 PHE HDy H 1 7.32 0.02 A 7 PHE HEx H 1 7.32 0.02 A 7 PHE HEy H 1 7.32 0.02 A 7 PHE HZ H 1 7.18 0.02 A 7 PHE C C 13 175.5 0.2 A 7 PHE CA C 13 57.1 0.2 A 7 PHE CB C 13 40.4 0.2 A 7 PHE CDx C 13 132.2 0.2 A 7 PHE CDy C 13 132.2 0.2 A 7 PHE CEx C 13 131.4 0.2 A 7 PHE CEy C 13 131.4 0.2 A 7 PHE CZ C 13 129.8 0.2 A 7 PHE N N 15 121.1 0.2 A 8 THR H H 1 8.31 0.02 A 8 THR HA H 1 4.55 0.02 A 8 THR HB H 1 4.16 0.02 A 8 THR HG2% H 1 1.13 0.02 A 8 THR C C 13 173.2 0.2 A 8 THR CA C 13 60.8 0.2 A 8 THR CB C 13 71 0.2 A 8 THR CG2 C 13 21.3 0.2 A 8 THR N N 15 115.9 0.2 A 9 PHE H H 1 7.9 0.02 A 9 PHE HA H 1 5.54 0.02 A 9 PHE HBy H 1 3.06 0.02 A 9 PHE HBx H 1 2.48 0.02 A 9 PHE HDx H 1 6.95 0.02 A 9 PHE HDy H 1 6.95 0.02 A 9 PHE C C 13 173.6 0.2 A 9 PHE CA C 13 55.6 0.2 A 9 PHE CB C 13 42.4 0.2 A 9 PHE CDx C 13 132.4 0.2 A 9 PHE CDy C 13 132.4 0.2 A 9 PHE N N 15 117.9 0.2 A 10 GLU H H 1 8.38 0.02 A 10 GLU HA H 1 4.33 0.02 A 10 GLU HBy H 1 1.82 0.02 A 10 GLU HBx H 1 1.77 0.02 A 10 GLU HGy H 1 2.07 0.02 A 10 GLU HGx H 1 1.92 0.02 A 10 GLU C C 13 175 0.2 A 10 GLU CA C 13 55.2 0.2 A 10 GLU CB C 13 32.8 0.2 A 10 GLU CG C 13 34.5 0.2 A 10 GLU N N 15 118.6 0.2 A 11 ILE H H 1 9.30 0.02 A 11 ILE HA H 1 3.72 0.02 A 11 ILE HB H 1 1.45 0.02 A 11 ILE HD1% H 1 -0.44 0.02 A 11 ILE HG1y H 1 1.3 0.02 A 11 ILE HG1x H 1 0.22 0.02 A 11 ILE HG2% H 1 0.33 0.02 A 11 ILE C C 13 174.8 0.2 A 11 ILE CA C 13 63.1 0.2 A 11 ILE CB C 13 36.9 0.2 A 11 ILE CD1 C 13 12.2 0.2 A 11 ILE CG1 C 13 28.9 0.2 A 11 ILE CG2 C 13 16.8 0.2 A 11 ILE N N 15 128.3 0.2 A 12 GLU H H 1 8.44 0.02 A 12 GLU HA H 1 4.24 0.02 A 12 GLU HBx H 1 1.37 0.02 A 12 GLU HBy H 1 1.37 0.02 A 12 GLU HGy H 1 2.17 0.02 A 12 GLU HGx H 1 2.1 0.02 A 12 GLU C C 13 176.3 0.2 A 12 GLU CA C 13 56.8 0.2 A 12 GLU CB C 13 29.7 0.2 A 12 GLU CG C 13 34.2 0.2 A 12 GLU N N 15 129.6 0.2 A 13 GLU H H 1 7.42 0.02 A 13 GLU HA H 1 4.29 0.02 A 13 GLU HBy H 1 1.83 0.02 A 13 GLU HBx H 1 1.56 0.02 A 13 GLU HGy H 1 2.23 0.02 A 13 GLU HGx H 1 1.93 0.02 A 13 GLU C C 13 173.9 0.2 A 13 GLU CA C 13 55.6 0.2 A 13 GLU CB C 13 33.7 0.2 A 13 GLU CG C 13 35.4 0.2 A 13 GLU N N 15 115.7 0.2 A 14 HIS H H 1 9.27 0.02 A 14 HIS HA H 1 6.01 0.02 A 14 HIS HBy H 1 3.02 0.02 A 14 HIS HBx H 1 2.78 0.02 A 14 HIS HD2 H 1 7.1 0.02 A 14 HIS HE1 H 1 8 0.02 A 14 HIS C C 13 174.1 0.2 A 14 HIS CA C 13 53.7 0.2 A 14 HIS CB C 13 29 0.2 A 14 HIS CD2 C 13 120.5 0.2 A 14 HIS CE1 C 13 135.7 0.2 A 14 HIS N N 15 126.9 0.2 A 14 HIS ND1 N 15 172.9 0.2 A 14 HIS NE2 N 15 176.6 0.2 A 15 LEU H H 1 8.21 0.02 A 15 LEU HA H 1 4.52 0.02 A 15 LEU HBy H 1 1.52 0.02 A 15 LEU HBx H 1 1.4 0.02 A 15 LEU HDx% H 1 0.78 0.02 A 15 LEU HDy% H 1 0.82 0.02 A 15 LEU HG H 1 1.51 0.02 A 15 LEU C C 13 176.3 0.2 A 15 LEU CA C 13 57 0.2 A 15 LEU CB C 13 42.1 0.2 A 15 LEU CDy C 13 25.4 0.2 A 15 LEU CDx C 13 25 0.2 A 15 LEU CG C 13 29.3 0.2 A 15 LEU N N 15 126.2 0.2 A 16 LEU H H 1 7.48 0.02 A 16 LEU HA H 1 4.37 0.02 A 16 LEU HBx H 1 1.35 0.02 A 16 LEU HBy H 1 1.35 0.02 A 16 LEU HDx% H 1 0.81 0.02 A 16 LEU HDy% H 1 0.61 0.02 A 16 LEU HG H 1 1.26 0.02 A 16 LEU C C 13 175 0.2 A 16 LEU CA C 13 54.7 0.2 A 16 LEU CB C 13 47.3 0.2 A 16 LEU CDx C 13 23.6 0.2 A 16 LEU CDy C 13 27.2 0.2 A 16 LEU CG C 13 27.2 0.2 A 16 LEU N N 15 115.4 0.2 A 17 THR H H 1 9.17 0.02 A 17 THR HA H 1 4.8 0.02 A 17 THR HB H 1 4.15 0.02 A 17 THR HG2% H 1 1.35 0.02 A 17 THR C C 13 173.2 0.2 A 17 THR CA C 13 63.1 0.2 A 17 THR CB C 13 69.2 0.2 A 17 THR CG2 C 13 23.4 0.2 A 17 THR N N 15 125.9 0.2 A 18 LEU H H 1 9.6 0.02 A 18 LEU HA H 1 4.2 0.02 A 18 LEU HBy H 1 1.72 0.02 A 18 LEU HBx H 1 1.43 0.02 A 18 LEU HDx% H 1 0.74 0.02 A 18 LEU HDy% H 1 0.73 0.02 A 18 LEU HG H 1 1.5 0.02 A 18 LEU C C 13 175.6 0.2 A 18 LEU CA C 13 56.5 0.2 A 18 LEU CB C 13 43.2 0.2 A 18 LEU CDy C 13 25.5 0.2 A 18 LEU CDx C 13 23.7 0.2 A 18 LEU CG C 13 27.6 0.2 A 18 LEU N N 15 125.8 0.2 A 19 SER H H 1 7.46 0.02 A 19 SER HA H 1 4.55 0.02 A 19 SER HBy H 1 4.29 0.02 A 19 SER HBx H 1 3.83 0.02 A 19 SER C C 13 172 0.2 A 19 SER CA C 13 57.4 0.2 A 19 SER CB C 13 64 0.2 A 19 SER N N 15 107.4 0.2 A 20 GLU H H 1 8.35 0.02 A 20 GLU HA H 1 5.1 0.02 A 20 GLU HBy H 1 1.95 0.02 A 20 GLU HBx H 1 1.89 0.02 A 20 GLU HGy H 1 2.53 0.02 A 20 GLU HGx H 1 2.11 0.02 A 20 GLU C C 13 175.3 0.2 A 20 GLU CA C 13 54.9 0.2 A 20 GLU CB C 13 32.2 0.2 A 20 GLU CG C 13 33.8 0.2 A 20 GLU N N 15 118.6 0.2 A 21 ASN H H 1 8.79 0.02 A 21 ASN HA H 1 5.06 0.02 A 21 ASN HBy H 1 3.54 0.02 A 21 ASN HBx H 1 3.02 0.02 A 21 ASN HD2y H 1 7.54 0.02 A 21 ASN HD2x H 1 6.94 0.02 A 21 ASN C C 13 177.7 0.2 A 21 ASN CA C 13 51 0.2 A 21 ASN CB C 13 39.2 0.2 A 21 ASN CG C 13 176.9 0.2 A 21 ASN N N 15 124.1 0.2 A 21 ASN ND2 N 15 111.1 0.2 A 22 GLU H H 1 9.07 0.02 A 22 GLU HA H 1 4.14 0.02 A 22 GLU HBx H 1 2.09 0.02 A 22 GLU HBy H 1 2.09 0.02 A 22 GLU HGx H 1 2.42 0.02 A 22 GLU HGy H 1 2.42 0.02 A 22 GLU C C 13 177.3 0.2 A 22 GLU CA C 13 59.1 0.2 A 22 GLU CB C 13 28.7 0.2 A 22 GLU CG C 13 35.7 0.2 A 22 GLU N N 15 118.6 0.2 A 23 LYS H H 1 7.74 0.02 A 23 LYS HA H 1 4.46 0.02 A 23 LYS HBy H 1 2.39 0.02 A 23 LYS HBx H 1 2.1 0.02 A 23 LYS C C 13 176.2 0.2 A 23 LYS CA C 13 56.3 0.2 A 23 LYS CB C 13 29.6 0.2 A 23 LYS N N 15 117.1 0.2 A 24 GLY H H 1 8.23 0.02 A 24 GLY HAy H 1 4.3 0.02 A 24 GLY HAx H 1 3.88 0.02 A 24 GLY C C 13 174.8 0.2 A 24 GLY CA C 13 45.4 0.2 A 24 GLY N N 15 107.8 0.2 A 25 TRP H H 1 8.16 0.02 A 25 TRP HA H 1 4.8 0.02 A 25 TRP HBy H 1 3.07 0.02 A 25 TRP HBx H 1 2.95 0.02 A 25 TRP HD1 H 1 7.16 0.02 A 25 TRP HE1 H 1 10.4 0.02 A 25 TRP HH2 H 1 6.83 0.02 A 25 TRP HZ2 H 1 7.38 0.02 A 25 TRP HZ3 H 1 6.48 0.02 A 25 TRP C C 13 177.6 0.2 A 25 TRP CA C 13 58.5 0.2 A 25 TRP CB C 13 28.1 0.2 A 25 TRP CD1 C 13 125.3 0.2 A 25 TRP CH2 C 13 124.3 0.2 A 25 TRP CZ2 C 13 114.5 0.2 A 25 TRP N N 15 120.8 0.2 A 25 TRP NE1 N 15 129.9 0.2 A 26 THR H H 1 9.14 0.02 A 26 THR HA H 1 5.46 0.02 A 26 THR HB H 1 4.41 0.02 A 26 THR HG2% H 1 1.26 0.02 A 26 THR C C 13 175.6 0.2 A 26 THR CA C 13 58.6 0.2 A 26 THR CB C 13 70.6 0.2 A 26 THR CG2 C 13 23.1 0.2 A 26 THR N N 15 112.9 0.2 A 27 LYS H H 1 8.09 0.02 A 27 LYS HA H 1 5.3 0.02 A 27 LYS HBy H 1 1.84 0.02 A 27 LYS HBx H 1 1.54 0.02 A 27 LYS HDx H 1 1.54 0.02 A 27 LYS HDy H 1 1.54 0.02 A 27 LYS HEx H 1 3.11 0.02 A 27 LYS HEy H 1 3.11 0.02 A 27 LYS HGy H 1 1.57 0.02 A 27 LYS HGx H 1 1.24 0.02 A 27 LYS C C 13 176.5 0.2 A 27 LYS CA C 13 56.6 0.2 A 27 LYS CB C 13 34.8 0.2 A 27 LYS CD C 13 29.6 0.2 A 27 LYS CE C 13 41.8 0.2 A 27 LYS CG C 13 26.4 0.2 A 27 LYS N N 15 120.6 0.2 A 28 GLU H H 1 9.34 0.02 A 28 GLU HA H 1 5.49 0.02 A 28 GLU HBx H 1 2.12 0.02 A 28 GLU HBy H 1 2.12 0.02 A 28 GLU C C 13 175.1 0.2 A 28 GLU CA C 13 54.7 0.2 A 28 GLU CB C 13 35.3 0.2 A 28 GLU N N 15 122.2 0.2 A 29 ILE H H 1 9.01 0.02 A 29 ILE HA H 1 5.28 0.02 A 29 ILE HB H 1 1.82 0.02 A 29 ILE HD1% H 1 1.05 0.02 A 29 ILE HG1y H 1 1.73 0.02 A 29 ILE HG1x H 1 1.25 0.02 A 29 ILE HG2% H 1 1.01 0.02 A 29 ILE C C 13 174.4 0.2 A 29 ILE CA C 13 61.4 0.2 A 29 ILE CB C 13 38.3 0.2 A 29 ILE CD1 C 13 14.4 0.2 A 29 ILE CG1 C 13 27.3 0.2 A 29 ILE CG2 C 13 17.3 0.2 A 29 ILE N N 15 117.5 0.2 A 30 ASN H H 1 9.25 0.02 A 30 ASN HA H 1 5.51 0.02 A 30 ASN HBy H 1 2.78 0.02 A 30 ASN HBx H 1 2.65 0.02 A 30 ASN HD2y H 1 7.56 0.02 A 30 ASN HD2x H 1 6.96 0.02 A 30 ASN C C 13 174.1 0.2 A 30 ASN CA C 13 51.8 0.2 A 30 ASN CB C 13 44.9 0.2 A 30 ASN CG C 13 177.1 0.2 A 30 ASN N N 15 124.9 0.2 A 30 ASN ND2 N 15 111.9 0.2 A 31 ARG H H 1 9.01 0.02 A 31 ARG HA H 1 4.86 0.02 A 31 ARG HBy H 1 1.32 0.02 A 31 ARG HBx H 1 1.12 0.02 A 31 ARG HDy H 1 2.69 0.02 A 31 ARG HDx H 1 2.53 0.02 A 31 ARG HE H 1 6.88 0.02 A 31 ARG HGy H 1 0.97 0.02 A 31 ARG HGx H 1 0.36 0.02 A 31 ARG HH2x H 1 6.39 0.02 A 31 ARG C C 13 175.9 0.2 A 31 ARG CA C 13 55.8 0.2 A 31 ARG CB C 13 30.8 0.2 A 31 ARG CD C 13 42.4 0.2 A 31 ARG CG C 13 28.2 0.2 A 31 ARG N N 15 118 0.2 A 31 ARG NE N 15 82.8 0.2 A 32 VAL H H 1 9.09 0.02 A 32 VAL HA H 1 4.52 0.02 A 32 VAL HB H 1 1.6 0.02 A 32 VAL HGx% H 1 0.1 0.02 A 32 VAL HGy% H 1 1 0.02 A 32 VAL C C 13 175 0.2 A 32 VAL CA C 13 60.8 0.2 A 32 VAL CB C 13 36.4 0.2 A 32 VAL CGx C 13 21 0.2 A 32 VAL CGy C 13 23.7 0.2 A 32 VAL N N 15 125 0.2 A 33 SER H H 1 8.85 0.02 A 33 SER HA H 1 4.58 0.02 A 33 SER HBy H 1 3.67 0.02 A 33 SER HBx H 1 3.57 0.02 A 33 SER C C 13 174.3 0.2 A 33 SER CA C 13 56.3 0.2 A 33 SER CB C 13 64 0.2 A 33 SER N N 15 122 0.2 A 34 PHE H H 1 8.78 0.02 A 34 PHE HA H 1 5.16 0.02 A 34 PHE HBy H 1 3.02 0.02 A 34 PHE HBx H 1 2.85 0.02 A 34 PHE HDx H 1 7.26 0.02 A 34 PHE HDy H 1 7.26 0.02 A 34 PHE HEx H 1 7.46 0.02 A 34 PHE HEy H 1 7.46 0.02 A 34 PHE HZ H 1 7.14 0.02 A 34 PHE C C 13 176.5 0.2 A 34 PHE CA C 13 57.4 0.2 A 34 PHE CB C 13 40.2 0.2 A 34 PHE CDx C 13 132.2 0.2 A 34 PHE CDy C 13 132.2 0.2 A 34 PHE CEx C 13 131.7 0.2 A 34 PHE CEy C 13 131.7 0.2 A 34 PHE CZ C 13 129.8 0.2 A 34 PHE N N 15 129.6 0.2 A 35 ASN H H 1 9.41 0.02 A 35 ASN HA H 1 4.42 0.02 A 35 ASN HBy H 1 3.08 0.02 A 35 ASN HBx H 1 2.75 0.02 A 35 ASN HD2y H 1 7.63 0.02 A 35 ASN HD2x H 1 6.71 0.02 A 35 ASN C C 13 175.3 0.2 A 35 ASN CA C 13 54.1 0.2 A 35 ASN CB C 13 37.6 0.2 A 35 ASN CG C 13 177.6 0.2 A 35 ASN N N 15 123.8 0.2 A 35 ASN ND2 N 15 112.7 0.2 A 36 GLY H H 1 8.77 0.02 A 36 GLY HAy H 1 3.92 0.02 A 36 GLY HAx H 1 3.5 0.02 A 36 GLY C C 13 173.8 0.2 A 36 GLY CA C 13 45.4 0.2 A 36 GLY N N 15 105.1 0.2 A 37 ALA H H 1 7.59 0.02 A 37 ALA HA H 1 4.56 0.02 A 37 ALA HB% H 1 1.59 0.02 A 37 ALA CA C 13 51 0.2 A 37 ALA CB C 13 17.6 0.2 A 37 ALA N N 15 123.8 0.2 A 38 PRO HA H 1 4.26 0.02 A 38 PRO HBy H 1 2.31 0.02 A 38 PRO HBx H 1 1.74 0.02 A 38 PRO HDy H 1 3.85 0.02 A 38 PRO HDx H 1 3.59 0.02 A 38 PRO HGy H 1 2.13 0.02 A 38 PRO HGx H 1 1.99 0.02 A 38 PRO C C 13 177.3 0.2 A 38 PRO CA C 13 63.6 0.2 A 38 PRO CB C 13 31.6 0.2 A 38 PRO CD C 13 50.3 0.2 A 38 PRO CG C 13 28.2 0.2 A 39 ALA H H 1 8.76 0.02 A 39 ALA HA H 1 3.93 0.02 A 39 ALA HB% H 1 0.95 0.02 A 39 ALA C C 13 176.7 0.2 A 39 ALA CA C 13 52.7 0.2 A 39 ALA CB C 13 18.9 0.2 A 39 ALA N N 15 126 0.2 A 40 LYS H H 1 7.97 0.02 A 40 LYS HA H 1 4.8 0.02 A 40 LYS HBy H 1 2.23 0.02 A 40 LYS HBx H 1 1.54 0.02 A 40 LYS HDx H 1 1.68 0.02 A 40 LYS HDy H 1 1.68 0.02 A 40 LYS HEx H 1 2.99 0.02 A 40 LYS HEy H 1 2.99 0.02 A 40 LYS HGy H 1 1.66 0.02 A 40 LYS HGx H 1 1.49 0.02 A 40 LYS C C 13 176.8 0.2 A 40 LYS CA C 13 54.2 0.2 A 40 LYS CB C 13 37.7 0.2 A 40 LYS CD C 13 29.8 0.2 A 40 LYS CE C 13 42.4 0.2 A 40 LYS CG C 13 25.5 0.2 A 40 LYS N N 15 120.1 0.2 A 41 PHE H H 1 8.63 0.02 A 41 PHE HA H 1 4.51 0.02 A 41 PHE HBy H 1 2.85 0.02 A 41 PHE HBx H 1 2.34 0.02 A 41 PHE HDx H 1 6.53 0.02 A 41 PHE HDy H 1 6.53 0.02 A 41 PHE C C 13 175.6 0.2 A 41 PHE CA C 13 60.6 0.2 A 41 PHE CB C 13 40.6 0.2 A 41 PHE CDx C 13 130.8 0.2 A 41 PHE CDy C 13 130.8 0.2 A 41 PHE N N 15 120.4 0.2 A 42 ASP H H 1 9.07 0.02 A 42 ASP HA H 1 5.6 0.02 A 42 ASP HBy H 1 2.75 0.02 A 42 ASP HBx H 1 2.56 0.02 A 42 ASP C C 13 175.1 0.2 A 42 ASP CA C 13 55.3 0.2 A 42 ASP CB C 13 47.6 0.2 A 42 ASP N N 15 124 0.2 A 43 ILE H H 1 9.16 0.02 A 43 ILE HA H 1 5.53 0.02 A 43 ILE HB H 1 2.02 0.02 A 43 ILE HD1% H 1 0.89 0.02 A 43 ILE HG1y H 1 1.77 0.02 A 43 ILE HG1x H 1 1.16 0.02 A 43 ILE HG2% H 1 0.84 0.02 A 43 ILE C C 13 174.5 0.2 A 43 ILE CA C 13 60.7 0.2 A 43 ILE CB C 13 38.9 0.2 A 43 ILE CD1 C 13 13.9 0.2 A 43 ILE CG1 C 13 26.9 0.2 A 43 ILE CG2 C 13 16.9 0.2 A 43 ILE N N 15 128.3 0.2 A 44 ARG H H 1 8.71 0.02 A 44 ARG HA H 1 4.81 0.02 A 44 ARG HBy H 1 1.82 0.02 A 44 ARG HBx H 1 1.66 0.02 A 44 ARG C C 13 173.5 0.2 A 44 ARG CA C 13 55.9 0.2 A 44 ARG CB C 13 34 0.2 A 44 ARG N N 15 124.6 0.2 A 45 ALA H H 1 7.53 0.02 A 45 ALA HA H 1 5.88 0.02 A 45 ALA HB% H 1 1.53 0.02 A 45 ALA C C 13 176.2 0.2 A 45 ALA CA C 13 50.8 0.2 A 45 ALA CB C 13 21.4 0.2 A 45 ALA N N 15 124.4 0.2 A 46 TRP H H 1 9.23 0.02 A 46 TRP HA H 1 4.64 0.02 A 46 TRP HBy H 1 2.8 0.02 A 46 TRP HBx H 1 2.66 0.02 A 46 TRP HD1 H 1 7.07 0.02 A 46 TRP HE1 H 1 10.54 0.02 A 46 TRP HZ2 H 1 7.23 0.02 A 46 TRP C C 13 174.4 0.2 A 46 TRP CA C 13 56.3 0.2 A 46 TRP CB C 13 34.4 0.2 A 46 TRP CD1 C 13 126.9 0.2 A 46 TRP CZ2 C 13 112.9 0.2 A 46 TRP N N 15 120.8 0.2 A 46 TRP NE1 N 15 129.1 0.2 A 47 SER H H 1 7.42 0.02 A 47 SER HA H 1 4.8 0.02 A 47 SER HBy H 1 3.76 0.02 A 47 SER HBx H 1 2.7 0.02 A 47 SER CA C 13 56.4 0.2 A 47 SER CB C 13 61.1 0.2 A 47 SER N N 15 116.2 0.2 A 48 PRO HA H 1 4.21 0.02 A 48 PRO HBy H 1 2.33 0.02 A 48 PRO HBx H 1 1.8 0.02 A 48 PRO HDy H 1 3.37 0.02 A 48 PRO HDx H 1 2.77 0.02 A 48 PRO HGy H 1 2.07 0.02 A 48 PRO HGx H 1 1.95 0.02 A 48 PRO C C 13 176.6 0.2 A 48 PRO CA C 13 65.4 0.2 A 48 PRO CB C 13 31.5 0.2 A 48 PRO CD C 13 49.7 0.2 A 48 PRO CG C 13 27.2 0.2 A 49 ASP H H 1 7.35 0.02 A 49 ASP HA H 1 4.69 0.02 A 49 ASP HBy H 1 3.05 0.02 A 49 ASP HBx H 1 2.58 0.02 A 49 ASP C C 13 176 0.2 A 49 ASP CA C 13 52.6 0.2 A 49 ASP CB C 13 40.5 0.2 A 49 ASP N N 15 111.7 0.2 A 50 HIS H H 1 8.28 0.02 A 50 HIS HA H 1 3.82 0.02 A 50 HIS HBy H 1 3.3 0.02 A 50 HIS HBx H 1 3.13 0.02 A 50 HIS HD2 H 1 5.94 0.02 A 50 HIS HE1 H 1 8.15 0.02 A 50 HIS C C 13 173.2 0.2 A 50 HIS CA C 13 60.4 0.2 A 50 HIS CB C 13 25.6 0.2 A 50 HIS CD2 C 13 117.8 0.2 A 50 HIS CE1 C 13 136.1 0.2 A 50 HIS N N 15 111.8 0.2 A 50 HIS ND1 N 15 180.5 0.2 A 50 HIS NE2 N 15 175.9 0.2 A 51 THR H H 1 7.77 0.02 A 51 THR HA H 1 4.56 0.02 A 51 THR HB H 1 4.3 0.02 A 51 THR HG2% H 1 1.14 0.02 A 51 THR C C 13 174.8 0.2 A 51 THR CA C 13 63.2 0.2 A 51 THR CB C 13 70.3 0.2 A 51 THR CG2 C 13 21.4 0.2 A 51 THR N N 15 105.6 0.2 A 52 LYS H H 1 7.88 0.02 A 52 LYS HA H 1 4.72 0.02 A 52 LYS HBy H 1 1.91 0.02 A 52 LYS HBx H 1 1.46 0.02 A 52 LYS HDy H 1 1.85 0.02 A 52 LYS HDx H 1 1.72 0.02 A 52 LYS HEx H 1 3.06 0.02 A 52 LYS HEy H 1 3.06 0.02 A 52 LYS HGx H 1 1.49 0.02 A 52 LYS HGy H 1 1.49 0.02 A 52 LYS C C 13 173.5 0.2 A 52 LYS CA C 13 54.7 0.2 A 52 LYS CB C 13 35.9 0.2 A 52 LYS CD C 13 29.3 0.2 A 52 LYS CE C 13 42.4 0.2 A 52 LYS CG C 13 24.9 0.2 A 52 LYS N N 15 121.6 0.2 A 53 MET H H 1 8.45 0.02 A 53 MET HA H 1 4.4 0.02 A 53 MET HBy H 1 1.05 0.02 A 53 MET HBx H 1 0.97 0.02 A 53 MET HE% H 1 1.43 0.02 A 53 MET HGy H 1 1.82 0.02 A 53 MET HGx H 1 1.7 0.02 A 53 MET C C 13 176.1 0.2 A 53 MET CA C 13 53.7 0.2 A 53 MET CB C 13 35.3 0.2 A 53 MET CE C 13 17 0.2 A 53 MET CG C 13 30.5 0.2 A 53 MET N N 15 118.1 0.2 A 54 GLY H H 1 8.33 0.02 A 54 GLY HAy H 1 4.51 0.02 A 54 GLY HAx H 1 3.66 0.02 A 54 GLY C C 13 173.3 0.2 A 54 GLY CA C 13 43.3 0.2 A 54 GLY N N 15 110.6 0.2 A 55 LYS H H 1 8.46 0.02 A 55 LYS HA H 1 4.24 0.02 A 55 LYS HBy H 1 2 0.02 A 55 LYS HBx H 1 1.76 0.02 A 55 LYS HDx H 1 1.72 0.02 A 55 LYS HDy H 1 1.72 0.02 A 55 LYS HEx H 1 2.95 0.02 A 55 LYS HEy H 1 2.95 0.02 A 55 LYS HGy H 1 1.52 0.02 A 55 LYS HGx H 1 1.46 0.02 A 55 LYS C C 13 177.5 0.2 A 55 LYS CA C 13 56.9 0.2 A 55 LYS CB C 13 32.8 0.2 A 55 LYS CD C 13 29.2 0.2 A 55 LYS CE C 13 42.2 0.2 A 55 LYS CG C 13 25.7 0.2 A 55 LYS N N 15 121.6 0.2 A 56 GLY H H 1 7.91 0.02 A 56 GLY HAy H 1 4.27 0.02 A 56 GLY HAx H 1 4.15 0.02 A 56 GLY C C 13 170.4 0.2 A 56 GLY CA C 13 46.8 0.2 A 56 GLY N N 15 110 0.2 A 57 ILE H H 1 8.94 0.02 A 57 ILE HA H 1 4.7 0.02 A 57 ILE HB H 1 1.53 0.02 A 57 ILE HD1% H 1 0.93 0.02 A 57 ILE HG1y H 1 1.68 0.02 A 57 ILE HG1x H 1 1.15 0.02 A 57 ILE HG2% H 1 0.87 0.02 A 57 ILE C C 13 170.9 0.2 A 57 ILE CA C 13 58.7 0.2 A 57 ILE CB C 13 43.4 0.2 A 57 ILE CD1 C 13 14.5 0.2 A 57 ILE CG1 C 13 29 0.2 A 57 ILE CG2 C 13 16.1 0.2 A 57 ILE N N 15 117.7 0.2 A 58 THR H H 1 8.26 0.02 A 58 THR HA H 1 5.26 0.02 A 58 THR HB H 1 3.78 0.02 A 58 THR HG2% H 1 1.38 0.02 A 58 THR C C 13 173.9 0.2 A 58 THR CA C 13 61.4 0.2 A 58 THR CB C 13 70.3 0.2 A 58 THR CG2 C 13 24.4 0.2 A 58 THR N N 15 123.1 0.2 A 59 LEU H H 1 9.32 0.02 A 59 LEU HA H 1 5.12 0.02 A 59 LEU HBy H 1 1.85 0.02 A 59 LEU HBx H 1 1.75 0.02 A 59 LEU HDx% H 1 0.91 0.02 A 59 LEU HDy% H 1 0.81 0.02 A 59 LEU HG H 1 1.63 0.02 A 59 LEU C C 13 176 0.2 A 59 LEU CA C 13 53 0.2 A 59 LEU CB C 13 46 0.2 A 59 LEU CDy C 13 26.9 0.2 A 59 LEU CDx C 13 24.6 0.2 A 59 LEU CG C 13 27.5 0.2 A 59 LEU N N 15 126.3 0.2 A 60 SER H H 1 9.63 0.02 A 60 SER HA H 1 4.61 0.02 A 60 SER HBy H 1 4.54 0.02 A 60 SER HBx H 1 4.1 0.02 A 60 SER C C 13 174.8 0.2 A 60 SER CA C 13 57 0.2 A 60 SER CB C 13 65.6 0.2 A 60 SER N N 15 118.1 0.2 A 61 ASN H H 1 9.54 0.02 A 61 ASN HA H 1 4.64 0.02 A 61 ASN HBy H 1 3.01 0.02 A 61 ASN HBx H 1 2.97 0.02 A 61 ASN HD2y H 1 7.79 0.02 A 61 ASN HD2x H 1 7.07 0.02 A 61 ASN C C 13 177.8 0.2 A 61 ASN CA C 13 57.2 0.2 A 61 ASN CB C 13 37.5 0.2 A 61 ASN CG C 13 176 0.2 A 61 ASN N N 15 121.1 0.2 A 61 ASN ND2 N 15 112.2 0.2 A 62 GLU H H 1 8.95 0.02 A 62 GLU HA H 1 4.08 0.02 A 62 GLU HBy H 1 2.1 0.02 A 62 GLU HBx H 1 2 0.02 A 62 GLU HGy H 1 2.51 0.02 A 62 GLU HGx H 1 2.34 0.02 A 62 GLU C C 13 179.6 0.2 A 62 GLU CA C 13 60.4 0.2 A 62 GLU CB C 13 29 0.2 A 62 GLU CG C 13 36.5 0.2 A 62 GLU N N 15 119.4 0.2 A 63 GLU H H 1 8.07 0.02 A 63 GLU HA H 1 3.92 0.02 A 63 GLU HBx H 1 1.75 0.02 A 63 GLU HBy H 1 1.75 0.02 A 63 GLU HGy H 1 2.45 0.02 A 63 GLU HGx H 1 2.09 0.02 A 63 GLU C C 13 178.1 0.2 A 63 GLU CA C 13 59.2 0.2 A 63 GLU CB C 13 30.8 0.2 A 63 GLU CG C 13 37.5 0.2 A 63 GLU N N 15 121.6 0.2 A 64 PHE H H 1 8.71 0.02 A 64 PHE HA H 1 3.73 0.02 A 64 PHE HBx H 1 2.57 0.02 A 64 PHE HBy H 1 2.57 0.02 A 64 PHE HDx H 1 6.34 0.02 A 64 PHE HDy H 1 6.34 0.02 A 64 PHE HEx H 1 6.60 0.02 A 64 PHE HEy H 1 6.60 0.02 A 64 PHE HZ H 1 6.56 0.02 A 64 PHE C C 13 176.5 0.2 A 64 PHE CA C 13 62.4 0.2 A 64 PHE CB C 13 40.2 0.2 A 64 PHE CDx C 13 130.9 0.2 A 64 PHE CDy C 13 130.9 0.2 A 64 PHE CEx C 13 130.2 0.2 A 64 PHE CEy C 13 130.2 0.2 A 64 PHE CZ C 13 128.3 0.2 A 64 PHE N N 15 118.9 0.2 A 65 GLN H H 1 8.33 0.02 A 65 GLN HA H 1 3.64 0.02 A 65 GLN HBy H 1 2.12 0.02 A 65 GLN HBx H 1 2.05 0.02 A 65 GLN HE2y H 1 7.36 0.02 A 65 GLN HE2x H 1 6.91 0.02 A 65 GLN HGy H 1 2.44 0.02 A 65 GLN HGx H 1 2.38 0.02 A 65 GLN C C 13 178 0.2 A 65 GLN CA C 13 58.3 0.2 A 65 GLN CB C 13 28.2 0.2 A 65 GLN CD C 13 180.2 0.2 A 65 GLN CG C 13 33.7 0.2 A 65 GLN N N 15 117 0.2 A 65 GLN NE2 N 15 112.5 0.2 A 66 THR H H 1 8.1 0.02 A 66 THR HA H 1 3.75 0.02 A 66 THR HB H 1 4.35 0.02 A 66 THR HG2% H 1 1.23 0.02 A 66 THR C C 13 176.1 0.2 A 66 THR CA C 13 67.1 0.2 A 66 THR CB C 13 68.3 0.2 A 66 THR CG2 C 13 21.6 0.2 A 66 THR N N 15 117 0.2 A 67 MET H H 1 7.47 0.02 A 67 MET HA H 1 3.34 0.02 A 67 MET HBx H 1 1.65 0.02 A 67 MET HBy H 1 1.65 0.02 A 67 MET HE% H 1 1.65 0.02 A 67 MET HGy H 1 1.83 0.02 A 67 MET HGx H 1 1.65 0.02 A 67 MET C C 13 175.5 0.2 A 67 MET CA C 13 59.7 0.2 A 67 MET CB C 13 32.9 0.2 A 67 MET CE C 13 17 0.2 A 67 MET CG C 13 31.8 0.2 A 67 MET N N 15 121.7 0.2 A 68 VAL H H 1 7.79 0.02 A 68 VAL HA H 1 2.62 0.02 A 68 VAL HB H 1 1.46 0.02 A 68 VAL HGx% H 1 0.42 0.02 A 68 VAL HGy% H 1 -0.29 0.02 A 68 VAL C C 13 178.3 0.2 A 68 VAL CA C 13 66.6 0.2 A 68 VAL CB C 13 31.3 0.2 A 68 VAL CGx C 13 21.4 0.2 A 68 VAL CGy C 13 21.8 0.2 A 68 VAL N N 15 117.3 0.2 A 69 ASP H H 1 8.21 0.02 A 69 ASP HA H 1 4.22 0.02 A 69 ASP HBy H 1 2.75 0.02 A 69 ASP HBx H 1 2.65 0.02 A 69 ASP C C 13 178 0.2 A 69 ASP CA C 13 55.6 0.2 A 69 ASP CB C 13 37.7 0.2 A 69 ASP N N 15 115.9 0.2 A 70 ALA H H 1 7.51 0.02 A 70 ALA HA H 1 4.05 0.02 A 70 ALA HB% H 1 1.22 0.02 A 70 ALA C C 13 179.9 0.2 A 70 ALA CA C 13 54.4 0.2 A 70 ALA CB C 13 19.3 0.2 A 70 ALA N N 15 122.1 0.2 A 71 PHE H H 1 7.65 0.02 A 71 PHE HA H 1 4.62 0.02 A 71 PHE HBy H 1 3.3 0.02 A 71 PHE HBx H 1 3.01 0.02 A 71 PHE HDx H 1 7.15 0.02 A 71 PHE HDy H 1 7.15 0.02 A 71 PHE HEx H 1 7.00 0.02 A 71 PHE HEy H 1 7.00 0.02 A 71 PHE HZ H 1 6.90 0.02 A 71 PHE C C 13 177 0.2 A 71 PHE CA C 13 57.8 0.2 A 71 PHE CB C 13 38.3 0.2 A 71 PHE CDx C 13 131.3 0.2 A 71 PHE CDy C 13 131.3 0.2 A 71 PHE CEx C 13 130.5 0.2 A 71 PHE CEy C 13 130.5 0.2 A 71 PHE CZ C 13 128.6 0.2 A 71 PHE N N 15 116.2 0.2 A 72 LYS H H 1 7.9 0.02 A 72 LYS HA H 1 4.18 0.02 A 72 LYS HBx H 1 1.87 0.02 A 72 LYS HBy H 1 1.87 0.02 A 72 LYS HDx H 1 1.66 0.02 A 72 LYS HDy H 1 1.66 0.02 A 72 LYS HEx H 1 2.96 0.02 A 72 LYS HEy H 1 2.96 0.02 A 72 LYS HGy H 1 1.58 0.02 A 72 LYS HGx H 1 1.49 0.02 A 72 LYS C C 13 177.2 0.2 A 72 LYS CA C 13 58.4 0.2 A 72 LYS CB C 13 32.8 0.2 A 72 LYS CD C 13 29.4 0.2 A 72 LYS CE C 13 42.1 0.2 A 72 LYS CG C 13 25.4 0.2 A 72 LYS N N 15 118.3 0.2 A 73 GLY H H 1 7.73 0.02 A 73 GLY HAy H 1 4.11 0.02 A 73 GLY HAx H 1 3.82 0.02 A 73 GLY C C 13 173.6 0.2 A 73 GLY CA C 13 45.2 0.2 A 73 GLY N N 15 107 0.2 A 74 ASN H H 1 8.26 0.02 A 74 ASN HA H 1 4.69 0.02 A 74 ASN HBy H 1 2.84 0.02 A 74 ASN HBx H 1 2.73 0.02 A 74 ASN HD2y H 1 7.58 0.02 A 74 ASN HD2x H 1 6.93 0.02 A 74 ASN C C 13 175.3 0.2 A 74 ASN CA C 13 53.5 0.2 A 74 ASN CB C 13 38.7 0.2 A 74 ASN N N 15 118.7 0.2 A 74 ASN ND2 N 15 112.8 0.2 A 75 LEU H H 1 8.35 0.02 A 75 LEU HA H 1 4.2 0.02 A 75 LEU HBx H 1 1.56 0.02 A 75 LEU HBy H 1 1.56 0.02 A 75 LEU HDx% H 1 0.86 0.02 A 75 LEU HDy% H 1 0.78 0.02 A 75 LEU HG H 1 1.57 0.02 A 75 LEU C C 13 177.2 0.2 A 75 LEU CA C 13 55.8 0.2 A 75 LEU CB C 13 42.2 0.2 A 75 LEU CDy C 13 25.2 0.2 A 75 LEU CDx C 13 24.1 0.2 A 75 LEU CG C 13 27.1 0.2 A 75 LEU N N 15 122.3 0.2 A 76 GLU H H 1 8.36 0.02 A 76 GLU HA H 1 4.16 0.02 A 76 GLU HBx H 1 1.87 0.02 A 76 GLU HBy H 1 1.87 0.02 A 76 GLU HGy H 1 2.22 0.02 A 76 GLU HGx H 1 2.14 0.02 A 76 GLU C C 13 176 0.2 A 76 GLU CA C 13 56.4 0.2 A 76 GLU CB C 13 29.9 0.2 A 76 GLU CG C 13 35.3 0.2 A 76 GLU N N 15 120.1 0.2 A 77 HIS H H 1 8.38 0.02 A 77 HIS HA H 1 4.62 0.02 A 77 HIS HBy H 1 3.16 0.02 A 77 HIS HBx H 1 3.05 0.02 A 77 HIS HD2 H 1 7.23 0.02 A 77 HIS C C 13 174.2 0.2 A 77 HIS CA C 13 55.1 0.2 A 77 HIS CB C 13 28.9 0.2 A 77 HIS N N 15 118.7 0.2 A 78 HIS H H 1 8.52 0.02 A 78 HIS HA H 1 4.64 0.02 A 78 HIS HBy H 1 3.18 0.02 A 78 HIS HBx H 1 3.09 0.02 A 78 HIS C C 13 174.2 0.2 A 78 HIS CA C 13 55.3 0.2 A 78 HIS CB C 13 29.1 0.2 A 78 HIS N N 15 119.1 0.2 A 79 HIS H H 1 8.66 0.02 A 79 HIS HA H 1 4.65 0.02 A 79 HIS HBy H 1 3.18 0.02 A 79 HIS HBx H 1 3.1 0.02 A 79 HIS C C 13 174.1 0.2 A 79 HIS CA C 13 55.2 0.2 A 79 HIS CB C 13 29.1 0.2 A 79 HIS N N 15 119.9 0.2 A 80 HIS H H 1 8.69 0.02 A 80 HIS HA H 1 4.65 0.02 A 80 HIS HBy H 1 3.18 0.02 A 80 HIS HBx H 1 3.12 0.02 A 80 HIS C C 13 174 0.2 A 80 HIS CA C 13 55.3 0.2 A 80 HIS CB C 13 29.3 0.2 A 80 HIS N N 15 120.6 0.2 A 81 HIS H H 1 8.56 0.02 A 81 HIS HA H 1 4.61 0.02 A 81 HIS HBx H 1 3.19 0.02 A 81 HIS HBy H 1 3.19 0.02 A 81 HIS C C 13 173.5 0.2 A 81 HIS CA C 13 55.4 0.2 A 81 HIS CB C 13 29.3 0.2 A 81 HIS N N 15 120.8 0.2 A 82 HIS H H 1 8.41 0.02 A 82 HIS HA H 1 4.41 0.02 A 82 HIS HBy H 1 3.2 0.02 A 82 HIS HBx H 1 3.1 0.02 A 82 HIS CA C 13 57.1 0.2 A 82 HIS CB C 13 29.6 0.2 A 82 HIS N N 15 125.7 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET HA A 2 LYS H 1.0 1.8 3.60 2 2 A 2 LYS H A 1 MET HBx 1.0 1.8 3.90 3 2 A 2 LYS H A 1 MET HBy 1.0 1.8 3.90 4 3 A 2 LYS H A 1 MET HGx 1.0 1.8 4.73 5 3 A 2 LYS H A 1 MET HGy 1.0 1.8 4.73 6 4 A 2 LYS HA A 2 LYS HGx 1.0 1.8 3.76 7 4 A 2 LYS HA A 2 LYS HGy 1.0 1.8 3.76 8 5 A 2 LYS HA A 3 LYS H 1.0 1.8 3.37 9 6 A 3 LYS H A 2 LYS HBx 1.0 1.8 4.00 10 6 A 3 LYS H A 2 LYS HBy 1.0 1.8 4.00 11 7 A 2 LYS HDy A 2 LYS HBx 1.0 1.8 3.30 12 7 A 2 LYS HBx A 2 LYS HDx 1.0 1.8 3.30 13 8 A 2 LYS HBy A 2 LYS HDy 1.0 1.8 3.30 14 8 A 2 LYS HBy A 2 LYS HDx 1.0 1.8 3.30 15 9 A 3 LYS H A 2 LYS HGx 1.0 1.8 4.71 16 9 A 2 LYS HGy A 3 LYS H 1.0 1.8 4.71 17 10 A 2 LYS H A 2 LYS HBx 1.0 1.8 3.38 18 10 A 2 LYS H A 2 LYS HBy 1.0 1.8 3.38 19 11 A 2 LYS H A 2 LYS HGx 1.0 1.8 4.30 20 11 A 2 LYS H A 2 LYS HGy 1.0 1.8 4.30 21 12 A 3 LYS HA A 4 MET H 1.0 1.8 3.60 22 13 A 3 LYS HBy A 3 LYS HDx 1.0 1.8 3.13 23 13 A 3 LYS HBx A 3 LYS HDx 1.0 1.8 3.13 24 13 A 3 LYS HDy A 3 LYS HBy 1.0 1.8 3.13 25 13 A 3 LYS HBx A 3 LYS HDy 1.0 1.8 3.13 26 14 A 4 MET H A 3 LYS HBy 1.0 1.8 3.90 27 14 A 4 MET H A 3 LYS HBx 1.0 1.8 3.90 28 15 A 4 MET H A 3 LYS HGx 1.0 1.8 4.60 29 15 A 4 MET H A 3 LYS HGy 1.0 1.8 4.60 30 16 A 3 LYS H A 3 LYS HBy 1.0 1.8 3.30 31 16 A 3 LYS H A 3 LYS HBx 1.0 1.8 3.30 32 17 A 3 LYS H A 3 LYS HGx 1.0 1.8 4.80 33 17 A 3 LYS H A 3 LYS HGy 1.0 1.8 4.80 34 18 A 4 MET HA A 5 ALA H 1.0 1.8 3.60 35 19 A 5 ALA H A 4 MET HBy 1.0 1.8 4.00 36 19 A 5 ALA H A 4 MET HBx 1.0 1.8 4.00 37 20 A 5 ALA H A 4 MET HGy 1.0 1.8 4.54 38 20 A 5 ALA H A 4 MET HGx 1.0 1.8 4.54 39 21 A 4 MET H A 4 MET HBy 1.0 1.8 3.18 40 21 A 4 MET H A 4 MET HBx 1.0 1.8 3.18 41 22 A 4 MET H A 4 MET HGy 1.0 1.8 4.10 42 22 A 4 MET H A 4 MET HGx 1.0 1.8 4.10 43 23 A 5 ALA HA A 6 GLU H 1.0 1.8 3.60 44 24 A 6 GLU H A 5 ALA HB% 1.0 1.8 3.60 45 25 A 5 ALA H A 5 ALA HB% 1.0 1.8 3.16 46 26 A 6 GLU HA A 7 PHE H 1.0 1.8 3.60 47 27 A 7 PHE H A 6 GLU HBy 1.0 1.8 3.90 48 27 A 7 PHE H A 6 GLU HBx 1.0 1.8 3.90 49 28 A 7 PHE H A 6 GLU HGx 1.0 1.8 5.60 50 29 A 7 PHE H A 6 GLU HGy 1.0 1.8 5.60 51 30 A 6 GLU H A 6 GLU HBy 1.0 1.8 3.30 52 30 A 6 GLU H A 6 GLU HBx 1.0 1.8 3.30 53 31 A 6 GLU H A 6 GLU HGy 1.0 1.8 4.30 54 31 A 6 GLU H A 6 GLU HGx 1.0 1.8 4.30 55 32 A 7 PHE HA A 7 PHE HD% 1.0 1.8 4.16 56 33 A 7 PHE HA A 8 THR H 1.0 1.8 3.80 57 34 A 7 PHE HA A 35 ASN HD2y 1.0 1.8 4.47 58 34 A 7 PHE HA A 35 ASN HD2x 1.0 1.8 4.47 59 35 A 8 THR H A 7 PHE HBy 1.0 1.8 3.60 60 35 A 8 THR H A 7 PHE HBx 1.0 1.8 3.60 61 36 A 7 PHE HBy A 35 ASN HD2y 1.0 1.8 4.19 62 36 A 35 ASN HD2x A 7 PHE HBy 1.0 1.8 4.19 63 36 A 35 ASN HD2x A 7 PHE HBx 1.0 1.8 4.19 64 36 A 7 PHE HBx A 35 ASN HD2y 1.0 1.8 4.19 65 37 A 35 ASN H A 7 PHE HBy 1.0 1.8 5.00 66 37 A 7 PHE HBx A 35 ASN H 1.0 1.8 5.00 67 38 A 7 PHE HD% A 7 PHE HZ 1.0 1.8 4.20 68 39 A 7 PHE HD% A 8 THR H 1.0 1.8 4.80 69 40 A 7 PHE HZ A 7 PHE HE% 1.0 1.8 3.30 70 41 A 7 PHE H A 7 PHE HBy 1.0 1.8 3.25 71 41 A 7 PHE H A 7 PHE HBx 1.0 1.8 3.25 72 42 A 7 PHE H A 7 PHE HD% 1.0 1.8 4.40 73 43 A 8 THR HA A 8 THR HG2% 1.0 1.8 3.30 74 44 A 8 THR HA A 9 PHE H 1.0 1.8 3.30 75 45 A 9 PHE H A 8 THR HB 1.0 1.8 4.30 76 46 A 8 THR HG2% A 35 ASN HA 1.0 1.8 4.80 77 47 A 35 ASN H A 8 THR HG2% 1.0 1.8 4.80 78 48 A 8 THR H A 8 THR HB 1.0 1.8 4.23 79 49 A 8 THR H A 8 THR HG2% 1.0 1.8 4.10 80 50 A 8 THR H A 9 PHE H 1.0 1.8 5.09 81 51 A 8 THR H A 35 ASN HA 1.0 1.8 4.28 82 52 A 8 THR H A 35 ASN HD2y 1.0 1.8 4.96 83 52 A 8 THR H A 35 ASN HD2x 1.0 1.8 4.96 84 53 A 8 THR H A 35 ASN H 1.0 1.8 4.10 85 54 A 9 PHE HA A 9 PHE HD% 1.0 1.8 4.94 86 55 A 9 PHE HA A 10 GLU H 1.0 1.8 3.61 87 56 A 9 PHE HA A 32 VAL HGx% 1.0 1.8 4.43 88 57 A 9 PHE HA A 34 PHE HA 1.0 1.8 4.47 89 58 A 9 PHE HA A 34 PHE HD% 1.0 1.8 4.76 90 59 A 35 ASN H A 9 PHE HA 1.0 1.8 4.42 91 60 A 34 PHE HA A 9 PHE HBx 1.0 1.8 4.97 92 60 A 34 PHE HA A 9 PHE HBy 1.0 1.8 4.97 93 61 A 10 GLU H A 9 PHE HBx 1.0 1.8 4.88 94 62 A 32 VAL HGx% A 9 PHE HBx 1.0 1.8 4.28 95 63 A 10 GLU H A 9 PHE HBy 1.0 1.8 4.88 96 64 A 32 VAL HGx% A 9 PHE HBy 1.0 1.8 4.28 97 65 A 9 PHE HD% A 10 GLU H 1.0 1.8 5.03 98 66 A 9 PHE HD% A 32 VAL HGx% 1.0 1.8 4.32 99 67 A 9 PHE HD% A 34 PHE HE% 1.0 1.8 4.33 100 68 A 9 PHE H A 9 PHE HD% 1.0 1.8 4.10 101 69 A 9 PHE H A 10 GLU H 1.0 1.8 5.01 102 70 A 10 GLU HA A 10 GLU HGy 1.0 1.8 3.53 103 70 A 10 GLU HA A 10 GLU HGx 1.0 1.8 3.53 104 71 A 10 GLU HA A 11 ILE H 1.0 1.8 3.48 105 72 A 32 VAL HGx% A 10 GLU HA 1.0 1.8 4.87 106 73 A 33 SER H A 10 GLU HBy 1.0 1.8 5.01 107 73 A 10 GLU HBx A 33 SER H 1.0 1.8 5.01 108 74 A 11 ILE H A 10 GLU HBx 1.0 1.8 4.83 109 75 A 11 ILE H A 10 GLU HBy 1.0 1.8 4.83 110 76 A 11 ILE H A 10 GLU HGy 1.0 1.8 4.60 111 76 A 10 GLU HGx A 11 ILE H 1.0 1.8 4.60 112 77 A 10 GLU H A 10 GLU HGy 1.0 1.8 4.42 113 77 A 10 GLU H A 10 GLU HGx 1.0 1.8 4.42 114 78 A 10 GLU H A 11 ILE H 1.0 1.8 4.98 115 79 A 10 GLU H A 32 VAL HGx% 1.0 1.8 3.88 116 80 A 10 GLU H A 33 SER HBy 1.0 1.8 4.89 117 80 A 10 GLU H A 33 SER HBx 1.0 1.8 4.89 118 81 A 10 GLU H A 33 SER H 1.0 1.8 3.82 119 82 A 10 GLU H A 34 PHE HA 1.0 1.8 4.54 120 83 A 11 ILE HA A 11 ILE HD1% 1.0 1.8 4.80 121 84 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 3.74 122 85 A 11 ILE HA A 12 GLU H 1.0 1.8 3.70 123 86 A 11 ILE HA A 32 VAL HA 1.0 1.8 4.52 124 87 A 32 VAL HGx% A 11 ILE HA 1.0 1.8 4.21 125 88 A 11 ILE HA A 32 VAL HGy% 1.0 1.8 3.96 126 89 A 33 SER H A 11 ILE HA 1.0 1.8 4.52 127 90 A 11 ILE HD1% A 11 ILE HB 1.0 1.8 3.74 128 91 A 32 VAL HGx% A 11 ILE HD1% 1.0 1.8 5.01 129 92 A 11 ILE HD1% A 32 VAL HGy% 1.0 1.8 4.57 130 93 A 12 GLU H A 11 ILE HG1x 1.0 1.8 4.96 131 93 A 12 GLU H A 11 ILE HG1y 1.0 1.8 4.96 132 94 A 32 VAL HGy% A 11 ILE HG1x 1.0 1.8 5.01 133 94 A 32 VAL HGy% A 11 ILE HG1y 1.0 1.8 5.01 134 95 A 11 ILE HD1% A 11 ILE HG2% 1.0 1.8 3.27 135 96 A 11 ILE HG2% A 11 ILE HG1x 1.0 1.8 4.65 136 97 A 11 ILE HG2% A 11 ILE HG1y 1.0 1.8 4.65 137 98 A 11 ILE HG2% A 12 GLU H 1.0 1.8 3.96 138 99 A 11 ILE HG2% A 13 GLU HBy 1.0 1.8 5.60 139 99 A 11 ILE HG2% A 13 GLU HBx 1.0 1.8 5.60 140 100 A 11 ILE HG2% A 13 GLU H 1.0 1.8 3.71 141 101 A 11 ILE HG2% A 30 ASN HA 1.0 1.8 4.96 142 102 A 11 ILE HG2% A 30 ASN HBx 1.0 1.8 3.98 143 103 A 11 ILE HG2% A 30 ASN HBy 1.0 1.8 3.98 144 104 A 11 ILE HG2% A 31 ARG H 1.0 1.8 4.39 145 105 A 11 ILE HG2% A 32 VAL HA 1.0 1.8 4.79 146 106 A 32 VAL HGx% A 11 ILE HG2% 1.0 1.8 5.00 147 107 A 11 ILE HG2% A 32 VAL HGy% 1.0 1.8 3.65 148 108 A 11 ILE H A 11 ILE HB 1.0 1.8 3.88 149 109 A 11 ILE H A 11 ILE HD1% 1.0 1.8 4.46 150 110 A 11 ILE H A 11 ILE HG1x 1.0 1.8 4.69 151 111 A 11 ILE H A 11 ILE HG1y 1.0 1.8 4.69 152 112 A 11 ILE H A 11 ILE HG2% 1.0 1.8 4.29 153 113 A 11 ILE H A 12 GLU H 1.0 1.8 5.16 154 114 A 32 VAL HGx% A 11 ILE H 1.0 1.8 5.07 155 115 A 11 ILE H A 32 VAL HGy% 1.0 1.8 5.25 156 116 A 12 GLU HA A 12 GLU HGx 1.0 1.8 4.42 157 117 A 12 GLU HA A 12 GLU HGy 1.0 1.8 4.42 158 118 A 13 GLU H A 12 GLU HA 1.0 1.8 3.60 159 119 A 13 GLU H A 12 GLU HBx 1.0 1.8 4.16 160 119 A 13 GLU H A 12 GLU HBy 1.0 1.8 4.16 161 120 A 39 ALA HB% A 12 GLU HBx 1.0 1.8 4.32 162 120 A 12 GLU HBy A 39 ALA HB% 1.0 1.8 4.32 163 121 A 12 GLU HGx A 33 SER HBy 1.0 1.8 5.03 164 121 A 12 GLU HGy A 33 SER HBy 1.0 1.8 5.03 165 121 A 33 SER HBx A 12 GLU HGy 1.0 1.8 5.03 166 121 A 33 SER HBx A 12 GLU HGx 1.0 1.8 5.03 167 122 A 13 GLU H A 12 GLU HGx 1.0 1.8 5.09 168 123 A 39 ALA HB% A 12 GLU HGx 1.0 1.8 3.74 169 124 A 13 GLU H A 12 GLU HGy 1.0 1.8 5.09 170 125 A 32 VAL HA A 12 GLU HGy 1.0 1.8 5.19 171 126 A 39 ALA HB% A 12 GLU HGy 1.0 1.8 4.15 172 127 A 12 GLU H A 12 GLU HGx 1.0 1.8 4.22 173 128 A 12 GLU H A 12 GLU HGy 1.0 1.8 4.22 174 129 A 12 GLU H A 13 GLU H 1.0 1.8 3.71 175 130 A 12 GLU H A 32 VAL HA 1.0 1.8 4.49 176 131 A 32 VAL HGx% A 12 GLU H 1.0 1.8 5.39 177 132 A 12 GLU H A 32 VAL HGy% 1.0 1.8 5.10 178 133 A 33 SER H A 12 GLU H 1.0 1.8 5.07 179 134 A 12 GLU H A 39 ALA HB% 1.0 1.8 4.96 180 135 A 13 GLU HA A 13 GLU HGy 1.0 1.8 3.70 181 135 A 13 GLU HA A 13 GLU HGx 1.0 1.8 3.70 182 136 A 13 GLU HA A 14 HIS H 1.0 1.8 3.45 183 137 A 13 GLU HBy A 31 ARG HBx 1.0 1.8 6.05 184 137 A 13 GLU HBx A 31 ARG HBx 1.0 1.8 6.05 185 138 A 13 GLU HBx A 31 ARG HBy 1.0 1.8 5.00 186 138 A 31 ARG HBy A 13 GLU HBy 1.0 1.8 5.00 187 139 A 13 GLU HBx A 31 ARG HDx 1.0 1.8 5.60 188 139 A 13 GLU HBy A 31 ARG HDx 1.0 1.8 5.60 189 139 A 31 ARG HDy A 13 GLU HBy 1.0 1.8 5.60 190 139 A 13 GLU HBx A 31 ARG HDy 1.0 1.8 5.60 191 140 A 31 ARG H A 13 GLU HBy 1.0 1.8 4.99 192 140 A 13 GLU HBx A 31 ARG H 1.0 1.8 4.99 193 141 A 39 ALA HB% A 13 GLU HBy 1.0 1.8 5.40 194 141 A 13 GLU HBx A 39 ALA HB% 1.0 1.8 5.40 195 142 A 13 GLU HBx A 14 HIS H 1.0 1.8 4.74 196 143 A 14 HIS H A 13 GLU HBy 1.0 1.8 4.74 197 144 A 14 HIS H A 13 GLU HGy 1.0 1.8 4.37 198 144 A 13 GLU HGx A 14 HIS H 1.0 1.8 4.37 199 145 A 15 LEU HDy% A 13 GLU HGy 1.0 1.8 4.95 200 145 A 13 GLU HGx A 15 LEU HDy% 1.0 1.8 4.95 201 146 A 13 GLU HGx A 31 ARG HDx 1.0 1.8 5.60 202 146 A 31 ARG HDy A 13 GLU HGy 1.0 1.8 5.60 203 146 A 13 GLU HGx A 31 ARG HDy 1.0 1.8 5.60 204 146 A 13 GLU HGy A 31 ARG HDx 1.0 1.8 5.60 205 147 A 13 GLU HBx A 13 GLU H 1.0 1.8 4.29 206 148 A 13 GLU H A 13 GLU HBy 1.0 1.8 4.29 207 149 A 13 GLU H A 13 GLU HGy 1.0 1.8 4.83 208 149 A 13 GLU H A 13 GLU HGx 1.0 1.8 4.83 209 150 A 13 GLU H A 14 HIS H 1.0 1.8 5.01 210 151 A 13 GLU H A 30 ASN HBx 1.0 1.8 4.94 211 151 A 13 GLU H A 30 ASN HBy 1.0 1.8 4.94 212 152 A 13 GLU H A 31 ARG HBx 1.0 1.8 4.81 213 152 A 13 GLU H A 31 ARG HBy 1.0 1.8 4.81 214 153 A 13 GLU H A 31 ARG H 1.0 1.8 4.60 215 154 A 13 GLU H A 39 ALA HB% 1.0 1.8 5.00 216 155 A 14 HIS HA A 15 LEU H 1.0 1.8 3.80 217 156 A 30 ASN HA A 14 HIS HA 1.0 1.8 4.62 218 157 A 14 HIS HA A 30 ASN HBx 1.0 1.8 4.50 219 157 A 30 ASN HBy A 14 HIS HA 1.0 1.8 4.50 220 158 A 14 HIS H A 14 HIS HBx 1.0 1.8 4.09 221 159 A 14 HIS H A 14 HIS HBy 1.0 1.8 4.09 222 160 A 14 HIS H A 15 LEU H 1.0 1.8 5.48 223 161 A 15 LEU HDy% A 15 LEU HA 1.0 1.8 3.13 224 162 A 15 LEU HA A 15 LEU HG 1.0 1.8 3.71 225 163 A 15 LEU HA A 16 LEU H 1.0 1.8 3.80 226 164 A 15 LEU HDy% A 15 LEU HBx 1.0 1.8 3.30 227 164 A 15 LEU HDy% A 15 LEU HBy 1.0 1.8 3.30 228 165 A 29 ILE HB A 15 LEU HBx 1.0 1.8 4.83 229 165 A 15 LEU HBy A 29 ILE HB 1.0 1.8 4.83 230 166 A 30 ASN HA A 15 LEU HBx 1.0 1.8 5.07 231 166 A 30 ASN HA A 15 LEU HBy 1.0 1.8 5.07 232 167 A 15 LEU HDx% A 15 LEU HBx 1.0 1.8 3.27 233 168 A 16 LEU H A 15 LEU HBx 1.0 1.8 3.83 234 169 A 15 LEU HBy A 15 LEU HDx% 1.0 1.8 3.27 235 170 A 16 LEU H A 15 LEU HBy 1.0 1.8 3.83 236 171 A 29 ILE HB A 15 LEU HDx% 1.0 1.8 5.60 237 172 A 15 LEU HDx% A 29 ILE HG2% 1.0 1.8 5.60 238 173 A 30 ASN HA A 15 LEU HDx% 1.0 1.8 4.60 239 174 A 15 LEU HDx% A 30 ASN HBx 1.0 1.8 5.10 240 174 A 30 ASN HBy A 15 LEU HDx% 1.0 1.8 5.10 241 175 A 15 LEU HDx% A 31 ARG HA 1.0 1.8 5.60 242 176 A 15 LEU HDx% A 31 ARG HGy 1.0 1.8 4.30 243 176 A 15 LEU HDx% A 31 ARG HGx 1.0 1.8 4.30 244 177 A 31 ARG H A 15 LEU HDx% 1.0 1.8 4.80 245 178 A 15 LEU HDx% A 41 PHE HA 1.0 1.8 4.80 246 179 A 15 LEU HDx% A 41 PHE HD% 1.0 1.8 3.61 247 180 A 15 LEU HDx% A 64 PHE HE% 1.0 1.8 5.15 248 181 A 15 LEU HDx% A 64 PHE HZ 1.0 1.8 4.80 249 182 A 30 ASN HA A 15 LEU HDy% 1.0 1.8 4.90 250 183 A 15 LEU HDy% A 31 ARG HDx 1.0 1.8 4.04 251 183 A 31 ARG HDy A 15 LEU HDy% 1.0 1.8 4.04 252 184 A 15 LEU HDy% A 31 ARG HGy 1.0 1.8 3.81 253 184 A 15 LEU HDy% A 31 ARG HGx 1.0 1.8 3.81 254 185 A 15 LEU HDy% A 41 PHE HD% 1.0 1.8 4.80 255 186 A 15 LEU HDy% A 64 PHE HD% 1.0 1.8 5.60 256 187 A 15 LEU HDy% A 64 PHE HE% 1.0 1.8 4.80 257 188 A 15 LEU HDy% A 64 PHE HZ 1.0 1.8 4.80 258 189 A 30 ASN HA A 15 LEU HG 1.0 1.8 4.59 259 190 A 15 LEU HDy% A 15 LEU H 1.0 1.8 4.62 260 191 A 15 LEU H A 15 LEU HG 1.0 1.8 4.22 261 192 A 15 LEU H A 16 LEU H 1.0 1.8 3.75 262 193 A 15 LEU H A 29 ILE HG2% 1.0 1.8 5.02 263 194 A 15 LEU H A 29 ILE H 1.0 1.8 5.33 264 195 A 30 ASN HA A 15 LEU H 1.0 1.8 4.19 265 196 A 31 ARG H A 15 LEU H 1.0 1.8 4.91 266 197 A 16 LEU HA A 17 THR H 1.0 1.8 3.40 267 198 A 17 THR H A 16 LEU HBx 1.0 1.8 3.79 268 198 A 17 THR H A 16 LEU HBy 1.0 1.8 3.79 269 199 A 29 ILE HD1% A 16 LEU HBx 1.0 1.8 5.60 270 199 A 16 LEU HBy A 29 ILE HD1% 1.0 1.8 5.60 271 200 A 17 THR H A 16 LEU HDx% 1.0 1.8 4.80 272 201 A 29 ILE HB A 16 LEU HDx% 1.0 1.8 5.04 273 202 A 29 ILE HD1% A 16 LEU HDx% 1.0 1.8 4.30 274 203 A 29 ILE H A 16 LEU HDx% 1.0 1.8 5.60 275 204 A 29 ILE HB A 16 LEU HDy% 1.0 1.8 4.90 276 205 A 29 ILE HD1% A 16 LEU HDy% 1.0 1.8 4.30 277 206 A 29 ILE HG2% A 16 LEU HDy% 1.0 1.8 5.60 278 207 A 29 ILE H A 16 LEU HDy% 1.0 1.8 6.05 279 208 A 16 LEU H A 17 THR H 1.0 1.8 4.80 280 209 A 16 LEU H A 29 ILE HB 1.0 1.8 4.80 281 210 A 16 LEU H A 29 ILE HD1% 1.0 1.8 4.99 282 211 A 16 LEU H A 29 ILE H 1.0 1.8 4.60 283 212 A 30 ASN HA A 16 LEU H 1.0 1.8 4.57 284 213 A 17 THR HA A 17 THR HG2% 1.0 1.8 3.30 285 214 A 17 THR HA A 18 LEU H 1.0 1.8 3.80 286 215 A 17 THR HA A 28 GLU HA 1.0 1.8 4.52 287 216 A 17 THR HG2% A 18 LEU H 1.0 1.8 4.02 288 217 A 17 THR HG2% A 26 THR HB 1.0 1.8 5.40 289 218 A 17 THR HG2% A 27 LYS H 1.0 1.8 4.91 290 219 A 17 THR HG2% A 28 GLU HA 1.0 1.8 4.29 291 220 A 29 ILE H A 17 THR HG2% 1.0 1.8 5.18 292 221 A 17 THR H A 17 THR HB 1.0 1.8 3.87 293 222 A 17 THR H A 17 THR HG2% 1.0 1.8 4.37 294 223 A 17 THR H A 18 LEU H 1.0 1.8 5.24 295 224 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 4.42 296 225 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 3.31 297 226 A 18 LEU HA A 18 LEU HG 1.0 1.8 4.07 298 227 A 18 LEU HA A 19 SER H 1.0 1.8 3.80 299 228 A 19 SER H A 18 LEU HBx 1.0 1.8 4.51 300 228 A 19 SER H A 18 LEU HBy 1.0 1.8 4.51 301 229 A 27 LYS H A 18 LEU HBx 1.0 1.8 5.03 302 229 A 27 LYS H A 18 LEU HBy 1.0 1.8 5.03 303 230 A 18 LEU HDx% A 18 LEU HBx 1.0 1.8 3.58 304 231 A 18 LEU HDy% A 18 LEU HBx 1.0 1.8 3.64 305 232 A 18 LEU HDx% A 18 LEU HBy 1.0 1.8 3.58 306 233 A 18 LEU HDy% A 18 LEU HBy 1.0 1.8 3.64 307 234 A 18 LEU HDx% A 27 LYS HBx 1.0 1.8 4.80 308 235 A 18 LEU HDx% A 27 LYS HBy 1.0 1.8 5.00 309 236 A 18 LEU HDx% A 27 LYS HEx 1.0 1.8 5.39 310 236 A 18 LEU HDx% A 27 LYS HEy 1.0 1.8 5.39 311 237 A 18 LEU HDx% A 27 LYS HGx 1.0 1.8 4.57 312 237 A 18 LEU HDx% A 27 LYS HGy 1.0 1.8 4.57 313 238 A 29 ILE HD1% A 18 LEU HDx% 1.0 1.8 4.11 314 239 A 18 LEU HDx% A 43 ILE HG2% 1.0 1.8 3.95 315 240 A 29 ILE HD1% A 18 LEU HDy% 1.0 1.8 3.78 316 241 A 18 LEU HDy% A 29 ILE HG1y 1.0 1.8 5.18 317 241 A 18 LEU HDy% A 29 ILE HG1x 1.0 1.8 5.18 318 242 A 29 ILE HG2% A 18 LEU HDy% 1.0 1.8 5.32 319 243 A 18 LEU HG A 27 LYS HGx 1.0 1.8 5.01 320 243 A 18 LEU HG A 27 LYS HGy 1.0 1.8 5.01 321 244 A 18 LEU HG A 29 ILE HG1y 1.0 1.8 5.24 322 244 A 18 LEU HG A 29 ILE HG1x 1.0 1.8 5.24 323 245 A 18 LEU H A 18 LEU HDx% 1.0 1.8 4.69 324 246 A 18 LEU H A 18 LEU HDy% 1.0 1.8 4.51 325 247 A 18 LEU H A 18 LEU HG 1.0 1.8 4.49 326 248 A 18 LEU H A 19 SER H 1.0 1.8 4.30 327 249 A 18 LEU H A 28 GLU HA 1.0 1.8 5.17 328 250 A 19 SER HA A 20 GLU H 1.0 1.8 3.60 329 251 A 20 GLU H A 19 SER HBy 1.0 1.8 4.30 330 251 A 20 GLU H A 19 SER HBx 1.0 1.8 4.30 331 252 A 19 SER H A 20 GLU H 1.0 1.8 4.92 332 253 A 19 SER H A 27 LYS HBx 1.0 1.8 5.00 333 253 A 19 SER H A 27 LYS HBy 1.0 1.8 5.00 334 254 A 27 LYS H A 19 SER H 1.0 1.8 4.80 335 255 A 20 GLU HA A 21 ASN H 1.0 1.8 3.48 336 256 A 20 GLU HA A 26 THR HA 1.0 1.8 4.18 337 257 A 20 GLU HA A 26 THR HG2% 1.0 1.8 3.79 338 258 A 27 LYS H A 20 GLU HA 1.0 1.8 4.54 339 259 A 21 ASN H A 20 GLU HBx 1.0 1.8 4.75 340 260 A 26 THR HG2% A 20 GLU HBx 1.0 1.8 4.50 341 261 A 21 ASN H A 20 GLU HBy 1.0 1.8 4.75 342 262 A 26 THR HG2% A 20 GLU HBy 1.0 1.8 4.80 343 263 A 21 ASN H A 20 GLU HGy 1.0 1.8 3.82 344 263 A 21 ASN H A 20 GLU HGx 1.0 1.8 3.82 345 264 A 24 GLY H A 20 GLU HGy 1.0 1.8 4.80 346 264 A 20 GLU HGx A 24 GLY H 1.0 1.8 4.80 347 265 A 25 TRP H A 20 GLU HGy 1.0 1.8 5.10 348 265 A 20 GLU HGx A 25 TRP H 1.0 1.8 5.10 349 266 A 26 THR HG2% A 20 GLU HGy 1.0 1.8 4.80 350 266 A 26 THR HG2% A 20 GLU HGx 1.0 1.8 4.80 351 267 A 20 GLU H A 20 GLU HBx 1.0 1.8 3.87 352 268 A 20 GLU H A 20 GLU HBy 1.0 1.8 3.87 353 269 A 20 GLU H A 20 GLU HGy 1.0 1.8 4.59 354 269 A 20 GLU H A 20 GLU HGx 1.0 1.8 4.59 355 270 A 20 GLU H A 21 ASN H 1.0 1.8 4.98 356 271 A 21 ASN HA A 22 GLU H 1.0 1.8 3.36 357 272 A 22 GLU H A 21 ASN HBx 1.0 1.8 4.41 358 273 A 22 GLU H A 21 ASN HBy 1.0 1.8 4.41 359 274 A 21 ASN H A 22 GLU H 1.0 1.8 5.07 360 275 A 21 ASN H A 25 TRP H 1.0 1.8 4.35 361 276 A 21 ASN H A 26 THR HA 1.0 1.8 4.52 362 277 A 21 ASN H A 26 THR HG2% 1.0 1.8 4.80 363 278 A 22 GLU HA A 22 GLU HGx 1.0 1.8 3.83 364 278 A 22 GLU HA A 22 GLU HGy 1.0 1.8 3.83 365 279 A 23 LYS H A 22 GLU HBx 1.0 1.8 4.27 366 279 A 22 GLU HBy A 23 LYS H 1.0 1.8 4.27 367 280 A 23 LYS H A 22 GLU HGx 1.0 1.8 5.00 368 280 A 22 GLU HGy A 23 LYS H 1.0 1.8 5.00 369 281 A 22 GLU H A 22 GLU HBx 1.0 1.8 3.60 370 281 A 22 GLU H A 22 GLU HBy 1.0 1.8 3.60 371 282 A 22 GLU H A 22 GLU HGx 1.0 1.8 4.30 372 282 A 22 GLU H A 22 GLU HGy 1.0 1.8 4.30 373 283 A 22 GLU H A 23 LYS H 1.0 1.8 4.80 374 284 A 24 GLY H A 23 LYS HBx 1.0 1.8 4.03 375 284 A 24 GLY H A 23 LYS HBy 1.0 1.8 4.03 376 285 A 23 LYS H A 23 LYS HBx 1.0 1.8 4.26 377 286 A 23 LYS H A 23 LYS HBy 1.0 1.8 4.26 378 287 A 24 GLY H A 23 LYS H 1.0 1.8 4.30 379 288 A 24 GLY HAx A 48 PRO HGx 1.0 1.8 5.28 380 288 A 24 GLY HAx A 48 PRO HGy 1.0 1.8 5.28 381 289 A 24 GLY HAy A 48 PRO HGx 1.0 1.8 6.05 382 289 A 48 PRO HGy A 24 GLY HAy 1.0 1.8 6.05 383 290 A 24 GLY H A 25 TRP H 1.0 1.8 3.39 384 291 A 25 TRP HA A 26 THR H 1.0 1.8 3.31 385 292 A 25 TRP HA A 48 PRO HDy 1.0 1.8 5.93 386 292 A 25 TRP HA A 48 PRO HDx 1.0 1.8 5.93 387 293 A 45 ALA HB% A 25 TRP HBy 1.0 1.8 4.39 388 293 A 25 TRP HBx A 45 ALA HB% 1.0 1.8 4.39 389 294 A 26 THR H A 25 TRP HBx 1.0 1.8 4.70 390 295 A 26 THR H A 25 TRP HBy 1.0 1.8 4.70 391 296 A 25 TRP HE1 A 47 SER HBy 1.0 1.8 6.05 392 296 A 25 TRP HE1 A 47 SER HBx 1.0 1.8 6.05 393 297 A 48 PRO HDx A 25 TRP HE1 1.0 1.8 4.52 394 298 A 25 TRP HE1 A 48 PRO HDy 1.0 1.8 4.52 395 299 A 48 PRO HGy A 25 TRP HE1 1.0 1.8 5.29 396 300 A 25 TRP HE1 A 52 LYS HEx 1.0 1.8 5.47 397 300 A 25 TRP HE1 A 52 LYS HEy 1.0 1.8 5.47 398 301 A 25 TRP HH2 A 52 LYS HBx 1.0 1.8 5.57 399 302 A 25 TRP HH2 A 52 LYS HBy 1.0 1.8 5.57 400 303 A 25 TRP HH2 A 52 LYS HDx 1.0 1.8 4.58 401 303 A 25 TRP HH2 A 52 LYS HDy 1.0 1.8 4.58 402 304 A 25 TRP HH2 A 52 LYS HGx 1.0 1.8 5.60 403 304 A 25 TRP HH2 A 52 LYS HGy 1.0 1.8 5.60 404 305 A 25 TRP HH2 A 53 MET H 1.0 1.8 5.21 405 306 A 25 TRP H A 25 TRP HD1 1.0 1.8 3.66 406 307 A 25 TRP H A 26 THR H 1.0 1.8 5.21 407 308 A 25 TRP H A 48 PRO HDy 1.0 1.8 5.09 408 308 A 25 TRP H A 48 PRO HDx 1.0 1.8 5.09 409 309 A 25 TRP HZ2 A 52 LYS HDx 1.0 1.8 4.43 410 310 A 52 LYS HDy A 25 TRP HZ2 1.0 1.8 4.43 411 311 A 25 TRP HZ2 A 52 LYS HGx 1.0 1.8 4.76 412 311 A 52 LYS HGy A 25 TRP HZ2 1.0 1.8 4.76 413 312 A 45 ALA HB% A 25 TRP HZ3 1.0 1.8 4.70 414 313 A 26 THR HA A 26 THR HG2% 1.0 1.8 3.48 415 314 A 27 LYS H A 26 THR HA 1.0 1.8 3.61 416 315 A 26 THR HB A 27 LYS H 1.0 1.8 4.31 417 316 A 27 LYS H A 26 THR HG2% 1.0 1.8 4.83 418 317 A 26 THR HG2% A 26 THR H 1.0 1.8 3.90 419 318 A 26 THR H A 45 ALA HB% 1.0 1.8 4.85 420 319 A 26 THR H A 46 TRP HBy 1.0 1.8 5.60 421 319 A 26 THR H A 46 TRP HBx 1.0 1.8 5.60 422 320 A 26 THR H A 46 TRP H 1.0 1.8 4.27 423 321 A 27 LYS HA A 27 LYS HEx 1.0 1.8 5.22 424 321 A 27 LYS HEy A 27 LYS HA 1.0 1.8 5.22 425 322 A 27 LYS HA A 28 GLU H 1.0 1.8 3.92 426 323 A 27 LYS HA A 45 ALA HA 1.0 1.8 4.41 427 324 A 45 ALA HB% A 27 LYS HA 1.0 1.8 4.06 428 325 A 46 TRP H A 27 LYS HA 1.0 1.8 4.75 429 326 A 27 LYS HBy A 27 LYS HDx 1.0 1.8 3.51 430 326 A 27 LYS HBx A 27 LYS HDx 1.0 1.8 3.51 431 326 A 27 LYS HDy A 27 LYS HBx 1.0 1.8 3.51 432 326 A 27 LYS HBy A 27 LYS HDy 1.0 1.8 3.51 433 327 A 27 LYS HBy A 27 LYS HEx 1.0 1.8 3.37 434 327 A 27 LYS HEy A 27 LYS HBx 1.0 1.8 3.37 435 327 A 27 LYS HEy A 27 LYS HBy 1.0 1.8 3.37 436 327 A 27 LYS HBx A 27 LYS HEx 1.0 1.8 3.37 437 328 A 28 GLU H A 27 LYS HBx 1.0 1.8 4.52 438 328 A 27 LYS HBy A 28 GLU H 1.0 1.8 4.52 439 329 A 45 ALA HB% A 27 LYS HEx 1.0 1.8 5.00 440 329 A 27 LYS HEy A 45 ALA HB% 1.0 1.8 5.00 441 330 A 27 LYS HEx A 27 LYS HGx 1.0 1.8 3.30 442 330 A 27 LYS HEy A 27 LYS HGx 1.0 1.8 3.30 443 330 A 27 LYS HGy A 27 LYS HEx 1.0 1.8 3.30 444 330 A 27 LYS HEy A 27 LYS HGy 1.0 1.8 3.30 445 331 A 28 GLU H A 27 LYS HGx 1.0 1.8 4.37 446 331 A 27 LYS HGy A 28 GLU H 1.0 1.8 4.37 447 332 A 44 ARG HA A 27 LYS HGx 1.0 1.8 5.13 448 332 A 27 LYS HGy A 44 ARG HA 1.0 1.8 5.13 449 333 A 45 ALA HB% A 27 LYS HGx 1.0 1.8 5.00 450 333 A 27 LYS HGy A 45 ALA HB% 1.0 1.8 5.00 451 334 A 45 ALA HA A 27 LYS HGx 1.0 1.8 5.60 452 335 A 27 LYS HGy A 45 ALA HA 1.0 1.8 5.60 453 336 A 27 LYS H A 27 LYS HBx 1.0 1.8 3.66 454 336 A 27 LYS H A 27 LYS HBy 1.0 1.8 3.66 455 337 A 27 LYS H A 27 LYS HEx 1.0 1.8 6.05 456 337 A 27 LYS H A 27 LYS HEy 1.0 1.8 6.05 457 338 A 27 LYS H A 27 LYS HGx 1.0 1.8 4.75 458 338 A 27 LYS H A 27 LYS HGy 1.0 1.8 4.75 459 339 A 29 ILE H A 28 GLU HA 1.0 1.8 3.92 460 340 A 46 TRP HD1 A 28 GLU HBx 1.0 1.8 6.05 461 340 A 28 GLU HBy A 46 TRP HD1 1.0 1.8 6.05 462 341 A 29 ILE H A 28 GLU H 1.0 1.8 5.21 463 342 A 28 GLU H A 44 ARG H 1.0 1.8 4.68 464 343 A 28 GLU H A 45 ALA HA 1.0 1.8 4.54 465 344 A 45 ALA HB% A 28 GLU H 1.0 1.8 5.01 466 345 A 28 GLU H A 46 TRP HD1 1.0 1.8 5.05 467 346 A 29 ILE HD1% A 29 ILE HA 1.0 1.8 4.52 468 347 A 29 ILE HG2% A 29 ILE HA 1.0 1.8 3.58 469 348 A 29 ILE HA A 30 ASN H 1.0 1.8 3.60 470 349 A 29 ILE HA A 43 ILE HA 1.0 1.8 5.20 471 350 A 43 ILE HG2% A 29 ILE HA 1.0 1.8 4.28 472 351 A 44 ARG H A 29 ILE HA 1.0 1.8 4.73 473 352 A 29 ILE HB A 29 ILE HD1% 1.0 1.8 3.18 474 353 A 64 PHE HE% A 29 ILE HD1% 1.0 1.8 4.81 475 354 A 64 PHE HZ A 29 ILE HD1% 1.0 1.8 4.99 476 355 A 29 ILE HD1% A 67 MET HE% 1.0 1.8 4.69 477 356 A 30 ASN H A 29 ILE HG1y 1.0 1.8 5.09 478 356 A 29 ILE HG1x A 30 ASN H 1.0 1.8 5.09 479 357 A 43 ILE HA A 29 ILE HG1y 1.0 1.8 5.53 480 357 A 29 ILE HG1x A 43 ILE HA 1.0 1.8 5.53 481 358 A 43 ILE HG2% A 29 ILE HG1y 1.0 1.8 4.30 482 358 A 43 ILE HG2% A 29 ILE HG1x 1.0 1.8 4.30 483 359 A 29 ILE HG2% A 29 ILE HD1% 1.0 1.8 3.30 484 360 A 29 ILE HG2% A 30 ASN H 1.0 1.8 3.83 485 361 A 29 ILE HG2% A 41 PHE HA 1.0 1.8 4.88 486 362 A 29 ILE HG2% A 41 PHE HBx 1.0 1.8 4.54 487 362 A 29 ILE HG2% A 41 PHE HBy 1.0 1.8 4.54 488 363 A 29 ILE HG2% A 42 ASP H 1.0 1.8 4.09 489 364 A 29 ILE HG2% A 43 ILE HA 1.0 1.8 4.23 490 365 A 29 ILE HG2% A 43 ILE HG1x 1.0 1.8 4.30 491 365 A 29 ILE HG2% A 43 ILE HG1y 1.0 1.8 4.30 492 366 A 29 ILE HG2% A 44 ARG H 1.0 1.8 5.07 493 367 A 29 ILE HG2% A 64 PHE HD% 1.0 1.8 5.43 494 368 A 29 ILE HG2% A 64 PHE HE% 1.0 1.8 4.51 495 369 A 29 ILE HG2% A 64 PHE HZ 1.0 1.8 3.43 496 370 A 29 ILE H A 29 ILE HD1% 1.0 1.8 4.71 497 371 A 30 ASN HA A 31 ARG H 1.0 1.8 3.60 498 372 A 30 ASN HBy A 30 ASN HD2y 1.0 1.8 3.33 499 372 A 30 ASN HBx A 30 ASN HD2y 1.0 1.8 3.33 500 372 A 30 ASN HD2x A 30 ASN HBx 1.0 1.8 3.33 501 372 A 30 ASN HBy A 30 ASN HD2x 1.0 1.8 3.33 502 373 A 31 ARG H A 30 ASN HBx 1.0 1.8 3.84 503 373 A 31 ARG H A 30 ASN HBy 1.0 1.8 3.84 504 374 A 32 VAL HGy% A 30 ASN HBx 1.0 1.8 5.06 505 374 A 32 VAL HGy% A 30 ASN HBy 1.0 1.8 5.06 506 375 A 31 ARG H A 30 ASN H 1.0 1.8 5.00 507 376 A 41 PHE HA A 30 ASN H 1.0 1.8 5.83 508 377 A 30 ASN H A 42 ASP H 1.0 1.8 4.62 509 378 A 30 ASN H A 43 ILE HA 1.0 1.8 5.28 510 379 A 43 ILE HG2% A 30 ASN H 1.0 1.8 5.48 511 380 A 31 ARG HA A 32 VAL H 1.0 1.8 3.65 512 381 A 31 ARG HA A 41 PHE HA 1.0 1.8 4.51 513 382 A 31 ARG HA A 42 ASP H 1.0 1.8 4.51 514 383 A 31 ARG HBy A 31 ARG HDx 1.0 1.8 3.39 515 383 A 31 ARG HBx A 31 ARG HDx 1.0 1.8 3.39 516 383 A 31 ARG HDy A 31 ARG HBx 1.0 1.8 3.39 517 383 A 31 ARG HDy A 31 ARG HBy 1.0 1.8 3.39 518 384 A 39 ALA HB% A 31 ARG HBx 1.0 1.8 4.07 519 384 A 39 ALA HB% A 31 ARG HBy 1.0 1.8 4.07 520 385 A 31 ARG HBx A 31 ARG HDx 1.0 1.8 4.39 521 386 A 31 ARG HDy A 31 ARG HBx 1.0 1.8 4.39 522 387 A 32 VAL H A 31 ARG HBx 1.0 1.8 4.76 523 388 A 31 ARG HBy A 31 ARG HDx 1.0 1.8 4.39 524 389 A 31 ARG HDy A 31 ARG HBy 1.0 1.8 4.39 525 390 A 31 ARG HBy A 32 VAL H 1.0 1.8 4.76 526 391 A 31 ARG HH2% A 31 ARG HDx 1.0 1.8 5.00 527 391 A 31 ARG HDy A 31 ARG HH2% 1.0 1.8 5.00 528 392 A 39 ALA HB% A 31 ARG HDx 1.0 1.8 4.72 529 392 A 39 ALA HB% A 31 ARG HDy 1.0 1.8 4.72 530 393 A 41 PHE HA A 31 ARG HDx 1.0 1.8 5.42 531 393 A 31 ARG HDy A 41 PHE HA 1.0 1.8 5.42 532 394 A 41 PHE HD% A 31 ARG HDx 1.0 1.8 5.00 533 394 A 31 ARG HDy A 41 PHE HD% 1.0 1.8 5.00 534 395 A 39 ALA HB% A 31 ARG HE 1.0 1.8 4.74 535 396 A 32 VAL H A 31 ARG HGy 1.0 1.8 5.06 536 396 A 31 ARG HGx A 32 VAL H 1.0 1.8 5.06 537 397 A 41 PHE HA A 31 ARG HGy 1.0 1.8 4.27 538 397 A 31 ARG HGx A 41 PHE HA 1.0 1.8 4.27 539 398 A 41 PHE HD% A 31 ARG HGy 1.0 1.8 5.18 540 398 A 31 ARG HGx A 41 PHE HD% 1.0 1.8 5.18 541 399 A 42 ASP H A 31 ARG HGy 1.0 1.8 5.17 542 399 A 31 ARG HGx A 42 ASP H 1.0 1.8 5.17 543 400 A 39 ALA HB% A 31 ARG HH2% 1.0 1.8 4.22 544 401 A 31 ARG H A 31 ARG HGy 1.0 1.8 4.04 545 401 A 31 ARG H A 31 ARG HGx 1.0 1.8 4.04 546 402 A 32 VAL HGx% A 32 VAL HA 1.0 1.8 3.61 547 403 A 32 VAL HA A 32 VAL HGy% 1.0 1.8 3.83 548 404 A 33 SER H A 32 VAL HA 1.0 1.8 3.89 549 405 A 33 SER H A 32 VAL HB 1.0 1.8 5.09 550 406 A 32 VAL HB A 34 PHE HZ 1.0 1.8 4.80 551 407 A 32 VAL HGx% A 33 SER H 1.0 1.8 3.87 552 408 A 32 VAL HGx% A 34 PHE HD% 1.0 1.8 4.39 553 409 A 32 VAL HGx% A 34 PHE HZ 1.0 1.8 4.06 554 410 A 33 SER H A 32 VAL HGy% 1.0 1.8 4.85 555 411 A 32 VAL HGy% A 34 PHE HZ 1.0 1.8 4.60 556 412 A 32 VAL HGy% A 42 ASP HBy 1.0 1.8 3.95 557 412 A 32 VAL HGy% A 42 ASP HBx 1.0 1.8 3.95 558 413 A 32 VAL H A 32 VAL HB 1.0 1.8 4.18 559 414 A 32 VAL HGx% A 32 VAL H 1.0 1.8 4.47 560 415 A 32 VAL HGy% A 32 VAL H 1.0 1.8 3.81 561 416 A 33 SER H A 32 VAL H 1.0 1.8 5.13 562 417 A 32 VAL H A 39 ALA HA 1.0 1.8 5.22 563 418 A 39 ALA HB% A 32 VAL H 1.0 1.8 4.21 564 419 A 32 VAL H A 40 LYS H 1.0 1.8 4.22 565 420 A 32 VAL H A 42 ASP HBy 1.0 1.8 4.66 566 420 A 32 VAL H A 42 ASP HBx 1.0 1.8 4.66 567 421 A 33 SER HA A 34 PHE H 1.0 1.8 3.60 568 422 A 39 ALA HA A 33 SER HA 1.0 1.8 4.41 569 423 A 39 ALA HB% A 33 SER HA 1.0 1.8 4.30 570 424 A 33 SER HA A 39 ALA H 1.0 1.8 4.91 571 425 A 40 LYS H A 33 SER HA 1.0 1.8 4.60 572 426 A 39 ALA HB% A 33 SER HBy 1.0 1.8 3.82 573 426 A 33 SER HBx A 39 ALA HB% 1.0 1.8 3.82 574 427 A 33 SER H A 34 PHE H 1.0 1.8 5.19 575 428 A 33 SER H A 39 ALA HB% 1.0 1.8 5.29 576 429 A 34 PHE HA A 34 PHE HD% 1.0 1.8 4.35 577 430 A 35 ASN H A 34 PHE HA 1.0 1.8 3.59 578 431 A 35 ASN H A 34 PHE HBy 1.0 1.8 4.30 579 431 A 35 ASN H A 34 PHE HBx 1.0 1.8 4.30 580 432 A 35 ASN H A 34 PHE HD% 1.0 1.8 5.07 581 433 A 34 PHE HD% A 34 PHE H 1.0 1.8 4.63 582 434 A 34 PHE HZ A 58 THR HG2% 1.0 1.8 4.80 583 435 A 35 ASN HA A 36 GLY H 1.0 1.8 3.60 584 436 A 35 ASN HBx A 35 ASN HD2y 1.0 1.8 3.33 585 436 A 35 ASN HBy A 35 ASN HD2y 1.0 1.8 3.33 586 436 A 35 ASN HD2x A 35 ASN HBy 1.0 1.8 3.33 587 436 A 35 ASN HD2x A 35 ASN HBx 1.0 1.8 3.33 588 437 A 36 GLY H A 35 ASN HBy 1.0 1.8 4.00 589 437 A 36 GLY H A 35 ASN HBx 1.0 1.8 4.00 590 438 A 35 ASN H A 36 GLY H 1.0 1.8 4.60 591 439 A 37 ALA H A 36 GLY HAy 1.0 1.8 3.40 592 439 A 36 GLY HAx A 37 ALA H 1.0 1.8 3.40 593 440 A 36 GLY H A 37 ALA H 1.0 1.8 4.80 594 441 A 37 ALA HA A 38 PRO HDy 1.0 1.8 3.34 595 441 A 37 ALA HA A 38 PRO HDx 1.0 1.8 3.34 596 442 A 37 ALA HB% A 38 PRO HDy 1.0 1.8 5.00 597 442 A 38 PRO HDx A 37 ALA HB% 1.0 1.8 5.00 598 443 A 37 ALA HB% A 38 PRO HGy 1.0 1.8 5.00 599 443 A 37 ALA HB% A 38 PRO HGx 1.0 1.8 5.00 600 444 A 37 ALA H A 37 ALA HB% 1.0 1.8 3.30 601 445 A 39 ALA HB% A 38 PRO HA 1.0 1.8 4.51 602 446 A 39 ALA H A 38 PRO HA 1.0 1.8 3.80 603 447 A 39 ALA H A 38 PRO HBy 1.0 1.8 3.98 604 447 A 39 ALA H A 38 PRO HBx 1.0 1.8 3.98 605 448 A 39 ALA H A 38 PRO HGy 1.0 1.8 5.38 606 448 A 39 ALA H A 38 PRO HGx 1.0 1.8 5.38 607 449 A 39 ALA HA A 40 LYS HBy 1.0 1.8 5.07 608 449 A 39 ALA HA A 40 LYS HBx 1.0 1.8 5.07 609 450 A 39 ALA HA A 40 LYS H 1.0 1.8 3.67 610 451 A 39 ALA HB% A 40 LYS H 1.0 1.8 3.71 611 452 A 39 ALA HB% A 39 ALA H 1.0 1.8 3.23 612 453 A 40 LYS H A 39 ALA H 1.0 1.8 5.02 613 454 A 40 LYS HA A 40 LYS HDx 1.0 1.8 4.60 614 454 A 40 LYS HA A 40 LYS HDy 1.0 1.8 4.60 615 455 A 40 LYS HA A 41 PHE H 1.0 1.8 3.47 616 456 A 40 LYS HBx A 40 LYS HEx 1.0 1.8 4.19 617 456 A 40 LYS HEy A 40 LYS HBy 1.0 1.8 4.19 618 456 A 40 LYS HBx A 40 LYS HEy 1.0 1.8 4.19 619 456 A 40 LYS HBy A 40 LYS HEx 1.0 1.8 4.19 620 457 A 41 PHE H A 40 LYS HBy 1.0 1.8 3.88 621 457 A 40 LYS HBx A 41 PHE H 1.0 1.8 3.88 622 458 A 41 PHE H A 40 LYS HDx 1.0 1.8 5.10 623 458 A 40 LYS HDy A 41 PHE H 1.0 1.8 5.10 624 459 A 60 SER HA A 40 LYS HDx 1.0 1.8 5.29 625 459 A 40 LYS HDy A 60 SER HA 1.0 1.8 5.29 626 460 A 61 ASN H A 40 LYS HDx 1.0 1.8 5.27 627 460 A 40 LYS HDy A 61 ASN H 1.0 1.8 5.27 628 461 A 60 SER HA A 40 LYS HEx 1.0 1.8 4.80 629 461 A 40 LYS HEy A 60 SER HA 1.0 1.8 4.80 630 462 A 61 ASN H A 40 LYS HEx 1.0 1.8 4.80 631 462 A 40 LYS HEy A 61 ASN H 1.0 1.8 4.80 632 463 A 40 LYS HEx A 40 LYS HGx 1.0 1.8 3.37 633 463 A 40 LYS HEy A 40 LYS HGx 1.0 1.8 3.37 634 463 A 40 LYS HGy A 40 LYS HEx 1.0 1.8 3.37 635 463 A 40 LYS HEy A 40 LYS HGy 1.0 1.8 3.37 636 464 A 60 SER HA A 40 LYS HGx 1.0 1.8 4.77 637 464 A 60 SER HA A 40 LYS HGy 1.0 1.8 4.77 638 465 A 41 PHE H A 40 LYS HGx 1.0 1.8 5.28 639 466 A 41 PHE H A 40 LYS HGy 1.0 1.8 5.28 640 467 A 40 LYS H A 40 LYS HBy 1.0 1.8 3.92 641 467 A 40 LYS H A 40 LYS HBx 1.0 1.8 3.92 642 468 A 40 LYS H A 40 LYS HDx 1.0 1.8 4.95 643 468 A 40 LYS H A 40 LYS HDy 1.0 1.8 4.95 644 469 A 41 PHE HA A 41 PHE HD% 1.0 1.8 4.69 645 470 A 41 PHE HA A 42 ASP H 1.0 1.8 3.72 646 471 A 59 LEU H A 41 PHE HBx 1.0 1.8 5.58 647 471 A 41 PHE HBy A 59 LEU H 1.0 1.8 5.58 648 472 A 64 PHE HZ A 41 PHE HBx 1.0 1.8 5.40 649 472 A 64 PHE HZ A 41 PHE HBy 1.0 1.8 5.40 650 473 A 42 ASP H A 41 PHE HBx 1.0 1.8 4.93 651 474 A 59 LEU HDx% A 41 PHE HBx 1.0 1.8 5.00 652 475 A 41 PHE HBy A 42 ASP H 1.0 1.8 4.93 653 476 A 41 PHE HBy A 59 LEU HDx% 1.0 1.8 5.70 654 477 A 41 PHE HD% A 42 ASP H 1.0 1.8 4.87 655 478 A 41 PHE HD% A 61 ASN HA 1.0 1.8 4.40 656 479 A 41 PHE HD% A 64 PHE HA 1.0 1.8 5.56 657 480 A 41 PHE H A 41 PHE HBx 1.0 1.8 4.21 658 481 A 41 PHE HBy A 41 PHE H 1.0 1.8 4.21 659 482 A 41 PHE HD% A 41 PHE H 1.0 1.8 4.02 660 483 A 42 ASP H A 41 PHE H 1.0 1.8 5.07 661 484 A 41 PHE H A 59 LEU H 1.0 1.8 5.64 662 485 A 42 ASP HA A 43 ILE H 1.0 1.8 3.75 663 486 A 42 ASP HA A 57 ILE HG2% 1.0 1.8 5.26 664 487 A 42 ASP HA A 58 THR HA 1.0 1.8 4.43 665 488 A 58 THR HG2% A 42 ASP HA 1.0 1.8 4.15 666 489 A 59 LEU HDx% A 42 ASP HA 1.0 1.8 5.36 667 490 A 42 ASP HA A 59 LEU HG 1.0 1.8 5.51 668 491 A 59 LEU H A 42 ASP HA 1.0 1.8 4.93 669 492 A 59 LEU H A 42 ASP HBy 1.0 1.8 5.87 670 492 A 42 ASP HBx A 59 LEU H 1.0 1.8 5.87 671 493 A 42 ASP H A 58 THR HA 1.0 1.8 6.05 672 494 A 43 ILE HA A 43 ILE HD1% 1.0 1.8 4.31 673 495 A 43 ILE HG2% A 43 ILE HA 1.0 1.8 3.63 674 496 A 44 ARG H A 43 ILE HA 1.0 1.8 3.60 675 497 A 43 ILE HA A 57 ILE HG2% 1.0 1.8 5.51 676 498 A 43 ILE HD1% A 43 ILE HB 1.0 1.8 3.47 677 499 A 57 ILE HG2% A 43 ILE HB 1.0 1.8 3.63 678 500 A 43 ILE HB A 57 ILE H 1.0 1.8 4.68 679 501 A 57 ILE HG2% A 43 ILE HD1% 1.0 1.8 4.30 680 502 A 58 THR HA A 43 ILE HD1% 1.0 1.8 6.05 681 503 A 43 ILE HD1% A 59 LEU HDy% 1.0 1.8 4.83 682 504 A 64 PHE HD% A 43 ILE HD1% 1.0 1.8 5.60 683 505 A 64 PHE HE% A 43 ILE HD1% 1.0 1.8 4.49 684 506 A 67 MET HE% A 43 ILE HD1% 1.0 1.8 4.25 685 507 A 57 ILE HG2% A 43 ILE HG1x 1.0 1.8 3.81 686 507 A 43 ILE HG1y A 57 ILE HG2% 1.0 1.8 3.81 687 508 A 57 ILE H A 43 ILE HG1x 1.0 1.8 5.59 688 508 A 43 ILE HG1y A 57 ILE H 1.0 1.8 5.59 689 509 A 43 ILE HG2% A 43 ILE HG1x 1.0 1.8 3.39 690 509 A 43 ILE HG2% A 43 ILE HG1y 1.0 1.8 3.39 691 510 A 43 ILE HG2% A 44 ARG H 1.0 1.8 4.05 692 511 A 43 ILE HG2% A 57 ILE H 1.0 1.8 6.05 693 512 A 64 PHE HE% A 43 ILE HG2% 1.0 1.8 6.05 694 513 A 43 ILE H A 43 ILE HD1% 1.0 1.8 4.40 695 514 A 43 ILE H A 43 ILE HG1x 1.0 1.8 4.72 696 515 A 43 ILE HG1y A 43 ILE H 1.0 1.8 4.72 697 516 A 43 ILE HG2% A 43 ILE H 1.0 1.8 4.37 698 517 A 43 ILE H A 57 ILE HG2% 1.0 1.8 3.82 699 518 A 43 ILE H A 57 ILE H 1.0 1.8 4.33 700 519 A 43 ILE H A 58 THR HA 1.0 1.8 4.62 701 520 A 58 THR HG2% A 43 ILE H 1.0 1.8 5.29 702 521 A 59 LEU HDx% A 43 ILE H 1.0 1.8 5.35 703 522 A 43 ILE H A 59 LEU HG 1.0 1.8 5.61 704 523 A 59 LEU H A 43 ILE H 1.0 1.8 5.59 705 524 A 44 ARG HA A 45 ALA H 1.0 1.8 3.80 706 525 A 45 ALA H A 44 ARG HBy 1.0 1.8 3.80 707 525 A 45 ALA H A 44 ARG HBx 1.0 1.8 3.80 708 526 A 44 ARG H A 45 ALA H 1.0 1.8 5.40 709 527 A 46 TRP H A 45 ALA HA 1.0 1.8 3.90 710 528 A 45 ALA HB% A 46 TRP H 1.0 1.8 3.69 711 529 A 45 ALA HB% A 54 GLY HAy 1.0 1.8 4.30 712 529 A 45 ALA HB% A 54 GLY HAx 1.0 1.8 4.30 713 530 A 45 ALA HB% A 55 LYS H 1.0 1.8 6.05 714 531 A 45 ALA HB% A 45 ALA H 1.0 1.8 3.42 715 532 A 46 TRP HA A 47 SER H 1.0 1.8 3.81 716 533 A 47 SER H A 46 TRP HBy 1.0 1.8 4.10 717 533 A 46 TRP HBx A 47 SER H 1.0 1.8 4.10 718 534 A 46 TRP H A 46 TRP HD1 1.0 1.8 5.05 719 535 A 46 TRP H A 47 SER H 1.0 1.8 5.47 720 536 A 49 ASP HA A 50 HIS H 1.0 1.8 3.80 721 537 A 50 HIS H A 49 ASP HBy 1.0 1.8 4.00 722 537 A 50 HIS H A 49 ASP HBx 1.0 1.8 4.00 723 538 A 50 HIS H A 49 ASP H 1.0 1.8 4.80 724 539 A 50 HIS HA A 50 HIS HD2 1.0 1.8 5.09 725 539 A 50 HIS HA A 50 HIS HD1 1.0 1.8 5.09 726 540 A 50 HIS HA A 51 THR H 1.0 1.8 3.80 727 541 A 50 HIS H A 51 THR H 1.0 1.8 4.46 728 542 A 51 THR HA A 51 THR HG2% 1.0 1.8 3.61 729 543 A 51 THR HA A 52 LYS H 1.0 1.8 3.90 730 544 A 52 LYS H A 51 THR HB 1.0 1.8 5.08 731 545 A 51 THR HG2% A 52 LYS H 1.0 1.8 4.30 732 546 A 51 THR H A 51 THR HG2% 1.0 1.8 4.00 733 547 A 51 THR H A 52 LYS H 1.0 1.8 5.00 734 548 A 52 LYS HA A 52 LYS HDx 1.0 1.8 4.47 735 548 A 52 LYS HDy A 52 LYS HA 1.0 1.8 4.47 736 549 A 52 LYS HA A 52 LYS HGx 1.0 1.8 3.78 737 549 A 52 LYS HGy A 52 LYS HA 1.0 1.8 3.78 738 550 A 53 MET H A 52 LYS HA 1.0 1.8 3.60 739 551 A 52 LYS HBx A 52 LYS HDx 1.0 1.8 3.45 740 551 A 52 LYS HBy A 52 LYS HDx 1.0 1.8 3.45 741 552 A 52 LYS HDy A 52 LYS HBx 1.0 1.8 3.45 742 552 A 52 LYS HDy A 52 LYS HBy 1.0 1.8 3.45 743 553 A 52 LYS HDy A 52 LYS HBx 1.0 1.8 3.52 744 553 A 52 LYS HBx A 52 LYS HDx 1.0 1.8 3.52 745 554 A 52 LYS HEy A 52 LYS HBx 1.0 1.8 5.47 746 554 A 52 LYS HBx A 52 LYS HEx 1.0 1.8 5.47 747 555 A 53 MET H A 52 LYS HBx 1.0 1.8 4.34 748 556 A 52 LYS HDy A 52 LYS HBy 1.0 1.8 3.52 749 556 A 52 LYS HBy A 52 LYS HDx 1.0 1.8 3.52 750 557 A 52 LYS HEy A 52 LYS HBy 1.0 1.8 5.47 751 557 A 52 LYS HBy A 52 LYS HEx 1.0 1.8 5.47 752 558 A 53 MET H A 52 LYS HBy 1.0 1.8 4.04 753 559 A 52 LYS HEy A 52 LYS HDx 1.0 1.8 3.31 754 559 A 52 LYS HDx A 52 LYS HEx 1.0 1.8 3.31 755 560 A 52 LYS HEy A 52 LYS HDy 1.0 1.8 3.31 756 560 A 52 LYS HDy A 52 LYS HEx 1.0 1.8 3.31 757 561 A 52 LYS HEy A 52 LYS HGx 1.0 1.8 3.11 758 561 A 52 LYS HGy A 52 LYS HEx 1.0 1.8 3.11 759 561 A 52 LYS HEy A 52 LYS HGy 1.0 1.8 3.11 760 561 A 52 LYS HEx A 52 LYS HGx 1.0 1.8 3.11 761 562 A 53 MET H A 52 LYS HGx 1.0 1.8 4.80 762 562 A 52 LYS HGy A 53 MET H 1.0 1.8 4.80 763 563 A 52 LYS H A 52 LYS HGx 1.0 1.8 4.21 764 563 A 52 LYS HGy A 52 LYS H 1.0 1.8 4.21 765 564 A 53 MET H A 52 LYS H 1.0 1.8 5.60 766 565 A 53 MET HA A 54 GLY H 1.0 1.8 3.60 767 566 A 53 MET HE% A 53 MET HBx 1.0 1.8 3.72 768 566 A 53 MET HBy A 53 MET HE% 1.0 1.8 3.72 769 567 A 54 GLY H A 53 MET HBx 1.0 1.8 4.82 770 568 A 54 GLY H A 53 MET HBy 1.0 1.8 4.82 771 569 A 53 MET HE% A 53 MET HGy 1.0 1.8 3.85 772 569 A 53 MET HE% A 53 MET HGx 1.0 1.8 3.85 773 570 A 54 GLY H A 53 MET HGy 1.0 1.8 4.70 774 570 A 54 GLY H A 53 MET HGx 1.0 1.8 4.70 775 571 A 53 MET H A 53 MET HGy 1.0 1.8 4.10 776 571 A 53 MET H A 53 MET HGx 1.0 1.8 4.10 777 572 A 53 MET H A 54 GLY H 1.0 1.8 5.28 778 573 A 54 GLY HAx A 55 LYS H 1.0 1.8 3.75 779 574 A 55 LYS H A 54 GLY HAy 1.0 1.8 3.75 780 575 A 55 LYS H A 54 GLY H 1.0 1.8 5.24 781 576 A 55 LYS HA A 55 LYS HDx 1.0 1.8 4.47 782 576 A 55 LYS HA A 55 LYS HDy 1.0 1.8 4.47 783 577 A 55 LYS HA A 55 LYS HGx 1.0 1.8 3.47 784 577 A 55 LYS HA A 55 LYS HGy 1.0 1.8 3.47 785 578 A 55 LYS HA A 56 GLY H 1.0 1.8 3.63 786 579 A 55 LYS HBx A 55 LYS HDx 1.0 1.8 3.30 787 579 A 55 LYS HDy A 55 LYS HBy 1.0 1.8 3.30 788 579 A 55 LYS HDy A 55 LYS HBx 1.0 1.8 3.30 789 579 A 55 LYS HBy A 55 LYS HDx 1.0 1.8 3.30 790 580 A 55 LYS HBx A 55 LYS HEx 1.0 1.8 5.31 791 580 A 55 LYS HBy A 55 LYS HEx 1.0 1.8 5.31 792 580 A 55 LYS HEy A 55 LYS HBy 1.0 1.8 5.31 793 580 A 55 LYS HBx A 55 LYS HEy 1.0 1.8 5.31 794 581 A 56 GLY H A 55 LYS HBy 1.0 1.8 3.85 795 581 A 56 GLY H A 55 LYS HBx 1.0 1.8 3.85 796 582 A 56 GLY H A 55 LYS HGx 1.0 1.8 4.49 797 582 A 55 LYS HGy A 56 GLY H 1.0 1.8 4.49 798 583 A 55 LYS HEy A 55 LYS HGx 1.0 1.8 3.29 799 583 A 55 LYS HEx A 55 LYS HGx 1.0 1.8 3.29 800 584 A 55 LYS HGy A 55 LYS HEx 1.0 1.8 3.29 801 584 A 55 LYS HGy A 55 LYS HEy 1.0 1.8 3.29 802 585 A 55 LYS H A 55 LYS HBy 1.0 1.8 3.43 803 585 A 55 LYS H A 55 LYS HBx 1.0 1.8 3.43 804 586 A 55 LYS H A 55 LYS HDx 1.0 1.8 4.58 805 586 A 55 LYS H A 55 LYS HDy 1.0 1.8 4.58 806 587 A 55 LYS H A 55 LYS HGx 1.0 1.8 3.87 807 587 A 55 LYS H A 55 LYS HGy 1.0 1.8 3.87 808 588 A 55 LYS H A 56 GLY H 1.0 1.8 5.14 809 589 A 57 ILE H A 56 GLY HAy 1.0 1.8 3.50 810 589 A 57 ILE H A 56 GLY HAx 1.0 1.8 3.50 811 590 A 57 ILE H A 56 GLY H 1.0 1.8 4.97 812 591 A 57 ILE HA A 57 ILE HG1x 1.0 1.8 3.92 813 591 A 57 ILE HA A 57 ILE HG1y 1.0 1.8 3.92 814 592 A 57 ILE HA A 58 THR H 1.0 1.8 3.60 815 593 A 57 ILE HB A 57 ILE HD1% 1.0 1.8 3.21 816 594 A 58 THR H A 57 ILE HB 1.0 1.8 4.47 817 595 A 58 THR H A 57 ILE HD1% 1.0 1.8 4.33 818 596 A 58 THR H A 57 ILE HG1x 1.0 1.8 3.62 819 596 A 57 ILE HG1y A 58 THR H 1.0 1.8 3.62 820 597 A 57 ILE HG2% A 57 ILE HD1% 1.0 1.8 4.02 821 598 A 57 ILE HG2% A 57 ILE HG1x 1.0 1.8 3.45 822 598 A 57 ILE HG2% A 57 ILE HG1y 1.0 1.8 3.45 823 599 A 57 ILE HG2% A 58 THR H 1.0 1.8 4.17 824 600 A 57 ILE H A 57 ILE HB 1.0 1.8 4.16 825 601 A 57 ILE H A 57 ILE HG1x 1.0 1.8 5.12 826 601 A 57 ILE H A 57 ILE HG1y 1.0 1.8 5.12 827 602 A 57 ILE HG2% A 57 ILE H 1.0 1.8 3.38 828 603 A 57 ILE H A 58 THR H 1.0 1.8 5.10 829 604 A 58 THR HG2% A 58 THR HA 1.0 1.8 3.72 830 605 A 59 LEU H A 58 THR HA 1.0 1.8 3.81 831 606 A 59 LEU H A 58 THR HB 1.0 1.8 4.60 832 607 A 58 THR HG2% A 59 LEU H 1.0 1.8 4.80 833 608 A 58 THR H A 58 THR HB 1.0 1.8 4.08 834 609 A 58 THR HG2% A 58 THR H 1.0 1.8 4.25 835 610 A 59 LEU H A 58 THR H 1.0 1.8 5.08 836 611 A 59 LEU HDx% A 59 LEU HA 1.0 1.8 4.30 837 612 A 59 LEU HDy% A 59 LEU HA 1.0 1.8 3.60 838 613 A 59 LEU HA A 60 SER H 1.0 1.8 3.48 839 614 A 59 LEU HDx% A 59 LEU HBy 1.0 1.8 3.21 840 614 A 59 LEU HDx% A 59 LEU HBx 1.0 1.8 3.21 841 615 A 59 LEU HDy% A 59 LEU HBy 1.0 1.8 3.19 842 615 A 59 LEU HDy% A 59 LEU HBx 1.0 1.8 3.19 843 616 A 59 LEU HDx% A 60 SER H 1.0 1.8 5.59 844 617 A 59 LEU HDy% A 60 SER H 1.0 1.8 4.34 845 618 A 59 LEU H A 59 LEU HDx% 1.0 1.8 4.73 846 619 A 59 LEU H A 59 LEU HDy% 1.0 1.8 4.85 847 620 A 59 LEU H A 59 LEU HG 1.0 1.8 4.22 848 621 A 60 SER HA A 61 ASN H 1.0 1.8 3.61 849 622 A 61 ASN H A 60 SER HBy 1.0 1.8 3.63 850 622 A 61 ASN H A 60 SER HBx 1.0 1.8 3.63 851 623 A 61 ASN HA A 62 GLU H 1.0 1.8 3.80 852 624 A 61 ASN HA A 64 PHE HBx 1.0 1.8 4.89 853 624 A 61 ASN HA A 64 PHE HBy 1.0 1.8 4.89 854 625 A 61 ASN HA A 65 GLN H 1.0 1.8 5.24 855 626 A 61 ASN HBy A 61 ASN HD2y 1.0 1.8 3.19 856 626 A 61 ASN HD2x A 61 ASN HBy 1.0 1.8 3.19 857 626 A 61 ASN HBx A 61 ASN HD2x 1.0 1.8 3.19 858 626 A 61 ASN HBx A 61 ASN HD2y 1.0 1.8 3.19 859 627 A 62 GLU H A 61 ASN HBy 1.0 1.8 3.52 860 627 A 62 GLU H A 61 ASN HBx 1.0 1.8 3.52 861 628 A 62 GLU H A 61 ASN HD2y 1.0 1.8 5.12 862 628 A 62 GLU H A 61 ASN HD2x 1.0 1.8 5.12 863 629 A 61 ASN H A 61 ASN HBy 1.0 1.8 3.66 864 629 A 61 ASN H A 61 ASN HBx 1.0 1.8 3.66 865 630 A 61 ASN H A 62 GLU H 1.0 1.8 3.87 866 631 A 62 GLU HA A 62 GLU HGx 1.0 1.8 4.35 867 632 A 62 GLU HA A 62 GLU HGy 1.0 1.8 4.35 868 633 A 62 GLU HA A 63 GLU H 1.0 1.8 3.80 869 634 A 62 GLU HA A 65 GLN HBx 1.0 1.8 4.25 870 634 A 62 GLU HA A 65 GLN HBy 1.0 1.8 4.25 871 635 A 65 GLN H A 62 GLU HA 1.0 1.8 4.85 872 636 A 62 GLU HA A 66 THR H 1.0 1.8 4.70 873 637 A 63 GLU H A 62 GLU HBy 1.0 1.8 4.23 874 637 A 63 GLU H A 62 GLU HBx 1.0 1.8 4.23 875 638 A 62 GLU HGx A 63 GLU H 1.0 1.8 5.14 876 639 A 62 GLU HGy A 63 GLU H 1.0 1.8 5.14 877 640 A 62 GLU H A 62 GLU HBy 1.0 1.8 3.31 878 640 A 62 GLU H A 62 GLU HBx 1.0 1.8 3.31 879 641 A 62 GLU H A 62 GLU HGx 1.0 1.8 4.66 880 642 A 62 GLU H A 62 GLU HGy 1.0 1.8 5.00 881 643 A 62 GLU H A 63 GLU H 1.0 1.8 3.99 882 644 A 63 GLU HA A 63 GLU HGy 1.0 1.8 4.00 883 644 A 63 GLU HA A 63 GLU HGx 1.0 1.8 4.00 884 645 A 63 GLU HA A 64 PHE H 1.0 1.8 3.80 885 646 A 63 GLU HA A 66 THR HB 1.0 1.8 4.55 886 647 A 63 GLU HA A 66 THR HG2% 1.0 1.8 4.82 887 648 A 66 THR H A 63 GLU HA 1.0 1.8 4.49 888 649 A 63 GLU HA A 67 MET H 1.0 1.8 5.38 889 650 A 64 PHE H A 63 GLU HBx 1.0 1.8 3.82 890 650 A 64 PHE H A 63 GLU HBy 1.0 1.8 3.82 891 651 A 64 PHE H A 63 GLU HGy 1.0 1.8 5.04 892 651 A 63 GLU HGx A 64 PHE H 1.0 1.8 5.04 893 652 A 63 GLU H A 64 PHE HBx 1.0 1.8 4.76 894 652 A 64 PHE HBy A 63 GLU H 1.0 1.8 4.76 895 653 A 63 GLU H A 64 PHE H 1.0 1.8 4.27 896 654 A 64 PHE HD% A 64 PHE HA 1.0 1.8 4.15 897 655 A 64 PHE HE% A 64 PHE HA 1.0 1.8 5.16 898 656 A 64 PHE HA A 65 GLN H 1.0 1.8 3.80 899 657 A 67 MET HE% A 64 PHE HA 1.0 1.8 3.80 900 658 A 64 PHE HA A 67 MET HBx 1.0 1.8 4.30 901 658 A 64 PHE HA A 67 MET HBy 1.0 1.8 4.30 902 659 A 64 PHE HA A 67 MET H 1.0 1.8 4.85 903 660 A 64 PHE HA A 68 VAL H 1.0 1.8 5.22 904 661 A 65 GLN H A 64 PHE HBx 1.0 1.8 3.98 905 661 A 64 PHE HBy A 65 GLN H 1.0 1.8 3.98 906 662 A 64 PHE HZ A 64 PHE HD% 1.0 1.8 4.40 907 663 A 64 PHE HD% A 65 GLN H 1.0 1.8 5.24 908 664 A 64 PHE HD% A 67 MET HE% 1.0 1.8 3.13 909 665 A 64 PHE HD% A 68 VAL HGy% 1.0 1.8 4.70 910 666 A 64 PHE HE% A 67 MET HE% 1.0 1.8 3.17 911 667 A 64 PHE H A 64 PHE HBx 1.0 1.8 3.76 912 667 A 64 PHE HBy A 64 PHE H 1.0 1.8 3.76 913 668 A 64 PHE HD% A 64 PHE H 1.0 1.8 5.02 914 669 A 65 GLN H A 64 PHE H 1.0 1.8 4.00 915 670 A 65 GLN HA A 65 GLN HE2y 1.0 1.8 4.82 916 671 A 65 GLN HA A 65 GLN HE2x 1.0 1.8 4.86 917 672 A 65 GLN HA A 65 GLN HGx 1.0 1.8 4.18 918 673 A 65 GLN HA A 65 GLN HGy 1.0 1.8 4.18 919 674 A 66 THR H A 65 GLN HA 1.0 1.8 3.60 920 675 A 65 GLN HA A 68 VAL HB 1.0 1.8 4.06 921 676 A 65 GLN HA A 68 VAL HGx% 1.0 1.8 4.23 922 677 A 68 VAL HGy% A 65 GLN HA 1.0 1.8 3.73 923 678 A 68 VAL H A 65 GLN HA 1.0 1.8 4.30 924 679 A 65 GLN HA A 69 ASP H 1.0 1.8 4.77 925 680 A 65 GLN HE2y A 65 GLN HBx 1.0 1.8 4.79 926 680 A 65 GLN HBy A 65 GLN HE2y 1.0 1.8 4.79 927 681 A 66 THR H A 65 GLN HBx 1.0 1.8 3.76 928 681 A 65 GLN HBy A 66 THR H 1.0 1.8 3.76 929 682 A 65 GLN HE2y A 68 VAL HB 1.0 1.8 4.75 930 683 A 65 GLN HE2y A 68 VAL HGx% 1.0 1.8 5.13 931 684 A 65 GLN HE2x A 68 VAL HB 1.0 1.8 4.94 932 685 A 65 GLN HE2x A 68 VAL HGx% 1.0 1.8 4.27 933 686 A 65 GLN HE2y A 65 GLN HGx 1.0 1.8 3.55 934 687 A 66 THR H A 65 GLN HGx 1.0 1.8 5.42 935 688 A 65 GLN HE2y A 65 GLN HGy 1.0 1.8 3.55 936 689 A 66 THR H A 65 GLN HGy 1.0 1.8 5.42 937 690 A 65 GLN H A 65 GLN HBx 1.0 1.8 3.63 938 691 A 65 GLN H A 65 GLN HBy 1.0 1.8 3.63 939 692 A 65 GLN H A 65 GLN HGx 1.0 1.8 4.88 940 692 A 65 GLN H A 65 GLN HGy 1.0 1.8 4.88 941 693 A 65 GLN H A 66 THR H 1.0 1.8 3.72 942 694 A 66 THR HG2% A 66 THR HA 1.0 1.8 3.31 943 695 A 67 MET H A 66 THR HA 1.0 1.8 3.60 944 696 A 66 THR HA A 69 ASP HBx 1.0 1.8 4.60 945 696 A 66 THR HA A 69 ASP HBy 1.0 1.8 4.60 946 697 A 69 ASP H A 66 THR HA 1.0 1.8 4.52 947 698 A 66 THR HA A 70 ALA H 1.0 1.8 4.80 948 699 A 66 THR HB A 67 MET H 1.0 1.8 4.33 949 700 A 66 THR HG2% A 67 MET H 1.0 1.8 3.94 950 701 A 66 THR H A 66 THR HB 1.0 1.8 3.73 951 702 A 66 THR H A 66 THR HG2% 1.0 1.8 4.15 952 703 A 66 THR H A 67 MET H 1.0 1.8 3.76 953 704 A 68 VAL H A 67 MET HA 1.0 1.8 3.60 954 705 A 67 MET HA A 70 ALA HB% 1.0 1.8 3.77 955 706 A 70 ALA H A 67 MET HA 1.0 1.8 4.26 956 707 A 67 MET HA A 71 PHE H 1.0 1.8 4.28 957 708 A 68 VAL H A 67 MET HBx 1.0 1.8 4.49 958 708 A 67 MET HBy A 68 VAL H 1.0 1.8 4.49 959 709 A 67 MET HE% A 68 VAL HGy% 1.0 1.8 3.40 960 710 A 67 MET HE% A 68 VAL H 1.0 1.8 4.18 961 711 A 68 VAL H A 67 MET HGx 1.0 1.8 5.15 962 712 A 68 VAL H A 67 MET HGy 1.0 1.8 5.15 963 713 A 67 MET H A 67 MET HBx 1.0 1.8 3.78 964 713 A 67 MET H A 67 MET HBy 1.0 1.8 3.78 965 714 A 67 MET H A 67 MET HGx 1.0 1.8 4.83 966 715 A 67 MET H A 67 MET HGy 1.0 1.8 4.83 967 716 A 67 MET H A 68 VAL H 1.0 1.8 3.85 968 717 A 68 VAL HGx% A 68 VAL HA 1.0 1.8 3.28 969 718 A 68 VAL HGy% A 68 VAL HA 1.0 1.8 3.30 970 719 A 69 ASP H A 68 VAL HA 1.0 1.8 3.60 971 720 A 68 VAL HA A 71 PHE HBx 1.0 1.8 4.74 972 720 A 68 VAL HA A 71 PHE HBy 1.0 1.8 4.74 973 721 A 71 PHE H A 68 VAL HA 1.0 1.8 4.51 974 722 A 68 VAL HA A 72 LYS H 1.0 1.8 5.17 975 723 A 68 VAL HB A 69 ASP H 1.0 1.8 3.64 976 724 A 68 VAL HGx% A 69 ASP H 1.0 1.8 3.78 977 725 A 68 VAL HGy% A 69 ASP H 1.0 1.8 4.25 978 726 A 68 VAL H A 68 VAL HB 1.0 1.8 3.69 979 727 A 68 VAL H A 68 VAL HGx% 1.0 1.8 4.30 980 728 A 68 VAL H A 68 VAL HGy% 1.0 1.8 3.21 981 729 A 68 VAL H A 69 ASP H 1.0 1.8 3.61 982 730 A 70 ALA H A 69 ASP HA 1.0 1.8 3.80 983 731 A 69 ASP HA A 72 LYS HBx 1.0 1.8 4.20 984 731 A 69 ASP HA A 72 LYS HBy 1.0 1.8 4.20 985 732 A 72 LYS H A 69 ASP HA 1.0 1.8 4.71 986 733 A 70 ALA H A 69 ASP HBx 1.0 1.8 4.30 987 734 A 69 ASP HBy A 70 ALA H 1.0 1.8 3.95 988 735 A 69 ASP H A 69 ASP HBx 1.0 1.8 3.13 989 735 A 69 ASP H A 69 ASP HBy 1.0 1.8 3.13 990 736 A 69 ASP H A 70 ALA H 1.0 1.8 3.44 991 737 A 71 PHE H A 70 ALA HA 1.0 1.8 3.80 992 738 A 70 ALA HA A 73 GLY H 1.0 1.8 4.40 993 739 A 70 ALA HB% A 71 PHE H 1.0 1.8 3.28 994 740 A 70 ALA HB% A 73 GLY H 1.0 1.8 5.07 995 741 A 70 ALA H A 70 ALA HB% 1.0 1.8 3.30 996 742 A 70 ALA H A 71 PHE H 1.0 1.8 3.26 997 743 A 71 PHE HA A 71 PHE HD% 1.0 1.8 3.50 998 744 A 72 LYS H A 71 PHE HA 1.0 1.8 3.60 999 745 A 71 PHE HA A 75 LEU HBx 1.0 1.8 4.99 1000 745 A 71 PHE HA A 75 LEU HBy 1.0 1.8 4.99 1001 746 A 72 LYS H A 71 PHE HBx 1.0 1.8 4.37 1002 747 A 71 PHE HBy A 72 LYS H 1.0 1.8 4.37 1003 748 A 72 LYS H A 71 PHE HD% 1.0 1.8 4.85 1004 749 A 71 PHE HD% A 75 LEU HBx 1.0 1.8 4.88 1005 749 A 71 PHE HD% A 75 LEU HBy 1.0 1.8 4.88 1006 750 A 71 PHE H A 71 PHE HD% 1.0 1.8 3.76 1007 751 A 71 PHE H A 72 LYS H 1.0 1.8 3.47 1008 752 A 72 LYS HA A 72 LYS HGx 1.0 1.8 4.48 1009 753 A 72 LYS HA A 72 LYS HGy 1.0 1.8 4.48 1010 754 A 73 GLY H A 72 LYS HA 1.0 1.8 3.86 1011 755 A 72 LYS HBy A 72 LYS HDx 1.0 1.8 3.27 1012 755 A 72 LYS HDy A 72 LYS HBx 1.0 1.8 3.27 1013 755 A 72 LYS HBy A 72 LYS HDy 1.0 1.8 3.27 1014 755 A 72 LYS HBx A 72 LYS HDx 1.0 1.8 3.27 1015 756 A 72 LYS HBx A 72 LYS HEx 1.0 1.8 5.07 1016 756 A 72 LYS HEy A 72 LYS HBx 1.0 1.8 5.07 1017 756 A 72 LYS HBy A 72 LYS HEy 1.0 1.8 5.07 1018 756 A 72 LYS HBy A 72 LYS HEx 1.0 1.8 5.07 1019 757 A 73 GLY H A 72 LYS HBx 1.0 1.8 4.39 1020 757 A 72 LYS HBy A 73 GLY H 1.0 1.8 4.39 1021 758 A 73 GLY H A 72 LYS HDx 1.0 1.8 5.06 1022 758 A 73 GLY H A 72 LYS HDy 1.0 1.8 5.06 1023 759 A 72 LYS HEy A 72 LYS HGx 1.0 1.8 3.77 1024 759 A 72 LYS HEx A 72 LYS HGx 1.0 1.8 3.77 1025 760 A 73 GLY H A 72 LYS HGx 1.0 1.8 5.00 1026 761 A 72 LYS HGy A 72 LYS HEx 1.0 1.8 3.77 1027 761 A 72 LYS HEy A 72 LYS HGy 1.0 1.8 3.77 1028 762 A 73 GLY H A 72 LYS HGy 1.0 1.8 4.23 1029 763 A 72 LYS H A 72 LYS HBx 1.0 1.8 3.38 1030 763 A 72 LYS H A 72 LYS HBy 1.0 1.8 3.38 1031 764 A 72 LYS H A 72 LYS HDx 1.0 1.8 5.06 1032 764 A 72 LYS H A 72 LYS HDy 1.0 1.8 5.06 1033 765 A 72 LYS H A 73 GLY H 1.0 1.8 3.15 1034 766 A 74 ASN H A 73 GLY HAy 1.0 1.8 3.30 1035 766 A 73 GLY HAx A 74 ASN H 1.0 1.8 3.30 1036 767 A 73 GLY H A 74 ASN H 1.0 1.8 3.60 1037 768 A 74 ASN HA A 75 LEU H 1.0 1.8 3.60 1038 769 A 75 LEU H A 74 ASN HBx 1.0 1.8 4.48 1039 770 A 75 LEU H A 74 ASN HBy 1.0 1.8 4.48 1040 771 A 75 LEU HA A 75 LEU HDx% 1.0 1.8 3.73 1041 772 A 75 LEU HA A 75 LEU HDy% 1.0 1.8 3.90 1042 773 A 75 LEU HDx% A 75 LEU HBx 1.0 1.8 3.30 1043 773 A 75 LEU HBy A 75 LEU HDx% 1.0 1.8 3.30 1044 774 A 75 LEU HDy% A 75 LEU HBx 1.0 1.8 3.30 1045 774 A 75 LEU HBy A 75 LEU HDy% 1.0 1.8 3.30 1046 775 A 75 LEU HDy% A 76 GLU H 1.0 1.8 5.60 1047 776 A 75 LEU H A 75 LEU HBx 1.0 1.8 3.30 1048 776 A 75 LEU HBy A 75 LEU H 1.0 1.8 3.30 1049 777 A 75 LEU H A 75 LEU HDx% 1.0 1.8 4.45 1050 778 A 76 GLU HA A 77 HIS H 1.0 1.8 3.60 1051 779 A 77 HIS H A 76 GLU HBx 1.0 1.8 4.30 1052 779 A 77 HIS H A 76 GLU HBy 1.0 1.8 4.30 1053 780 A 77 HIS H A 76 GLU HGy 1.0 1.8 4.80 1054 780 A 77 HIS H A 76 GLU HGx 1.0 1.8 4.80 1055 781 A 76 GLU H A 76 GLU HBx 1.0 1.8 3.80 1056 781 A 76 GLU H A 76 GLU HBy 1.0 1.8 3.80 1057 782 A 76 GLU H A 76 GLU HGy 1.0 1.8 4.60 1058 782 A 76 GLU H A 76 GLU HGx 1.0 1.8 4.60 1059 783 A 77 HIS HA A 78 HIS H 1.0 1.8 3.54 1060 784 A 77 HIS HD2 A 77 HIS HBy 1.0 1.8 3.60 1061 784 A 77 HIS HD1 A 77 HIS HBy 1.0 1.8 3.60 1062 784 A 77 HIS HBx A 77 HIS HD2 1.0 1.8 3.60 1063 784 A 77 HIS HBx A 77 HIS HD1 1.0 1.8 3.60 1064 785 A 78 HIS H A 77 HIS HBy 1.0 1.8 4.28 1065 785 A 78 HIS H A 77 HIS HBx 1.0 1.8 4.28 1066 786 A 77 HIS H A 77 HIS HBy 1.0 1.8 3.23 1067 786 A 77 HIS H A 77 HIS HBx 1.0 1.8 3.23 1068 787 A 78 HIS HA A 79 HIS H 1.0 1.8 3.60 1069 788 A 79 HIS H A 78 HIS HBy 1.0 1.8 4.25 1070 788 A 79 HIS H A 78 HIS HBx 1.0 1.8 4.25 1071 789 A 78 HIS H A 78 HIS HBy 1.0 1.8 3.30 1072 789 A 78 HIS H A 78 HIS HBx 1.0 1.8 3.30 1073 790 A 79 HIS HA A 80 HIS H 1.0 1.8 3.60 1074 791 A 80 HIS H A 79 HIS HBy 1.0 1.8 4.26 1075 791 A 80 HIS H A 79 HIS HBx 1.0 1.8 4.26 1076 792 A 79 HIS H A 79 HIS HBy 1.0 1.8 3.84 1077 792 A 79 HIS H A 79 HIS HBx 1.0 1.8 3.84 1078 793 A 80 HIS HA A 81 HIS H 1.0 1.8 3.60 1079 794 A 80 HIS H A 80 HIS HBy 1.0 1.8 3.87 1080 794 A 80 HIS H A 80 HIS HBx 1.0 1.8 3.87 1081 795 A 81 HIS HA A 82 HIS H 1.0 1.8 3.60 1082 796 A 82 HIS H A 81 HIS HBx 1.0 1.8 4.10 1083 796 A 82 HIS H A 81 HIS HBy 1.0 1.8 4.10 1084 797 A 81 HIS H A 81 HIS HBx 1.0 1.8 3.29 1085 797 A 81 HIS H A 81 HIS HBy 1.0 1.8 3.29 1086 798 A 82 HIS H A 82 HIS HBy 1.0 1.8 3.40 1087 798 A 82 HIS H A 82 HIS HBx 1.0 1.8 3.40 1088 799 B 1 MET HA B 2 LYS H 1.0 1.8 3.60 1089 800 B 2 LYS H B 1 MET HBx 1.0 1.8 3.90 1090 800 B 2 LYS H B 1 MET HBy 1.0 1.8 3.90 1091 801 B 2 LYS H B 1 MET HGx 1.0 1.8 4.73 1092 801 B 2 LYS H B 1 MET HGy 1.0 1.8 4.73 1093 802 B 2 LYS HA B 2 LYS HGx 1.0 1.8 3.76 1094 802 B 2 LYS HA B 2 LYS HGy 1.0 1.8 3.76 1095 803 B 2 LYS HA B 3 LYS H 1.0 1.8 3.37 1096 804 B 3 LYS H B 2 LYS HBy 1.0 1.8 4.00 1097 804 B 3 LYS H B 2 LYS HBx 1.0 1.8 4.00 1098 805 B 2 LYS HDy B 2 LYS HBy 1.0 1.8 3.30 1099 805 B 2 LYS HBy B 2 LYS HDx 1.0 1.8 3.30 1100 806 B 2 LYS HBx B 2 LYS HDy 1.0 1.8 3.30 1101 806 B 2 LYS HBx B 2 LYS HDx 1.0 1.8 3.30 1102 807 B 3 LYS H B 2 LYS HGx 1.0 1.8 4.71 1103 807 B 2 LYS HGy B 3 LYS H 1.0 1.8 4.71 1104 808 B 2 LYS H B 2 LYS HBy 1.0 1.8 3.38 1105 808 B 2 LYS H B 2 LYS HBx 1.0 1.8 3.38 1106 809 B 2 LYS H B 2 LYS HGx 1.0 1.8 4.30 1107 809 B 2 LYS H B 2 LYS HGy 1.0 1.8 4.30 1108 810 B 3 LYS HA B 4 MET H 1.0 1.8 3.60 1109 811 B 3 LYS HBy B 3 LYS HDx 1.0 1.8 3.13 1110 811 B 3 LYS HBx B 3 LYS HDx 1.0 1.8 3.13 1111 811 B 3 LYS HDy B 3 LYS HBx 1.0 1.8 3.13 1112 811 B 3 LYS HBy B 3 LYS HDy 1.0 1.8 3.13 1113 812 B 4 MET H B 3 LYS HBx 1.0 1.8 3.90 1114 812 B 4 MET H B 3 LYS HBy 1.0 1.8 3.90 1115 813 B 4 MET H B 3 LYS HGx 1.0 1.8 4.60 1116 813 B 4 MET H B 3 LYS HGy 1.0 1.8 4.60 1117 814 B 3 LYS H B 3 LYS HBx 1.0 1.8 3.30 1118 814 B 3 LYS H B 3 LYS HBy 1.0 1.8 3.30 1119 815 B 3 LYS H B 3 LYS HGx 1.0 1.8 4.80 1120 815 B 3 LYS H B 3 LYS HGy 1.0 1.8 4.80 1121 816 B 4 MET HA B 5 ALA H 1.0 1.8 3.60 1122 817 B 5 ALA H B 4 MET HBx 1.0 1.8 4.00 1123 817 B 5 ALA H B 4 MET HBy 1.0 1.8 4.00 1124 818 B 5 ALA H B 4 MET HGx 1.0 1.8 4.54 1125 818 B 5 ALA H B 4 MET HGy 1.0 1.8 4.54 1126 819 B 4 MET H B 4 MET HBx 1.0 1.8 3.18 1127 819 B 4 MET H B 4 MET HBy 1.0 1.8 3.18 1128 820 B 4 MET H B 4 MET HGx 1.0 1.8 4.10 1129 820 B 4 MET H B 4 MET HGy 1.0 1.8 4.10 1130 821 B 5 ALA HA B 6 GLU H 1.0 1.8 3.60 1131 822 B 6 GLU H B 5 ALA HB1 1.0 1.8 3.60 1132 823 B 5 ALA H B 5 ALA HB1 1.0 1.8 3.16 1133 824 B 6 GLU HA B 7 PHE H 1.0 1.8 3.60 1134 825 B 7 PHE H B 6 GLU HBx 1.0 1.8 3.90 1135 825 B 7 PHE H B 6 GLU HBy 1.0 1.8 3.90 1136 826 B 7 PHE H B 6 GLU HGy 1.0 1.8 5.60 1137 827 B 7 PHE H B 6 GLU HGx 1.0 1.8 5.60 1138 828 B 6 GLU H B 6 GLU HBx 1.0 1.8 3.30 1139 828 B 6 GLU H B 6 GLU HBy 1.0 1.8 3.30 1140 829 B 6 GLU H B 6 GLU HGx 1.0 1.8 4.30 1141 829 B 6 GLU H B 6 GLU HGy 1.0 1.8 4.30 1142 830 B 7 PHE HA B 7 PHE HD% 1.0 1.8 4.16 1143 831 B 7 PHE HA B 8 THR H 1.0 1.8 3.80 1144 832 B 7 PHE HA B 35 ASN HD2x 1.0 1.8 4.47 1145 832 B 7 PHE HA B 35 ASN HD2y 1.0 1.8 4.47 1146 833 B 8 THR H B 7 PHE HBx 1.0 1.8 3.60 1147 833 B 8 THR H B 7 PHE HBy 1.0 1.8 3.60 1148 834 B 7 PHE HBy B 35 ASN HD2x 1.0 1.8 4.19 1149 834 B 7 PHE HBx B 35 ASN HD2x 1.0 1.8 4.19 1150 834 B 35 ASN HD2y B 7 PHE HBx 1.0 1.8 4.19 1151 834 B 35 ASN HD2y B 7 PHE HBy 1.0 1.8 4.19 1152 835 B 35 ASN H B 7 PHE HBx 1.0 1.8 5.00 1153 835 B 7 PHE HBy B 35 ASN H 1.0 1.8 5.00 1154 836 B 7 PHE HD% B 7 PHE HZ 1.0 1.8 4.20 1155 837 B 7 PHE HD% B 8 THR H 1.0 1.8 4.80 1156 838 B 7 PHE HZ B 7 PHE HE% 1.0 1.8 3.30 1157 839 B 7 PHE H B 7 PHE HBx 1.0 1.8 3.25 1158 839 B 7 PHE H B 7 PHE HBy 1.0 1.8 3.25 1159 840 B 7 PHE H B 7 PHE HD% 1.0 1.8 4.10 1160 841 B 8 THR HA B 8 THR HG21 1.0 1.8 3.30 1161 842 B 8 THR HA B 9 PHE H 1.0 1.8 3.30 1162 843 B 9 PHE H B 8 THR HB 1.0 1.8 4.30 1163 844 B 8 THR HG21 B 35 ASN HA 1.0 1.8 4.80 1164 845 B 35 ASN H B 8 THR HG21 1.0 1.8 4.80 1165 846 B 8 THR H B 8 THR HB 1.0 1.8 4.23 1166 847 B 8 THR H B 8 THR HG21 1.0 1.8 4.10 1167 848 B 8 THR H B 9 PHE H 1.0 1.8 5.09 1168 849 B 8 THR H B 35 ASN HA 1.0 1.8 4.28 1169 850 B 8 THR H B 35 ASN HD2x 1.0 1.8 4.96 1170 850 B 8 THR H B 35 ASN HD2y 1.0 1.8 4.96 1171 851 B 8 THR H B 35 ASN H 1.0 1.8 4.10 1172 852 B 9 PHE HA B 9 PHE HD% 1.0 1.8 4.94 1173 853 B 9 PHE HA B 10 GLU H 1.0 1.8 3.61 1174 854 B 9 PHE HA B 32 VAL HG11 1.0 1.8 4.43 1175 855 B 9 PHE HA B 34 PHE HA 1.0 1.8 4.47 1176 856 B 9 PHE HA B 34 PHE HD% 1.0 1.8 4.76 1177 857 B 35 ASN H B 9 PHE HA 1.0 1.8 4.42 1178 858 B 34 PHE HA B 9 PHE HBy 1.0 1.8 4.97 1179 858 B 34 PHE HA B 9 PHE HBx 1.0 1.8 4.97 1180 859 B 10 GLU H B 9 PHE HBy 1.0 1.8 4.88 1181 860 B 32 VAL HG11 B 9 PHE HBy 1.0 1.8 4.28 1182 861 B 10 GLU H B 9 PHE HBx 1.0 1.8 4.88 1183 862 B 32 VAL HG11 B 9 PHE HBx 1.0 1.8 4.28 1184 863 B 9 PHE HD% B 10 GLU H 1.0 1.8 5.03 1185 864 B 9 PHE HD% B 32 VAL HG11 1.0 1.8 4.32 1186 865 B 9 PHE HD% B 34 PHE HE% 1.0 1.8 4.33 1187 866 B 9 PHE H B 9 PHE HD% 1.0 1.8 4.10 1188 867 B 9 PHE H B 10 GLU H 1.0 1.8 5.01 1189 868 B 10 GLU HA B 10 GLU HGx 1.0 1.8 3.53 1190 868 B 10 GLU HA B 10 GLU HGy 1.0 1.8 3.53 1191 869 B 10 GLU HA B 11 ILE H 1.0 1.8 3.48 1192 870 B 32 VAL HG11 B 10 GLU HA 1.0 1.8 4.87 1193 871 B 33 SER H B 10 GLU HBx 1.0 1.8 5.01 1194 871 B 10 GLU HBy B 33 SER H 1.0 1.8 5.01 1195 872 B 11 ILE H B 10 GLU HBy 1.0 1.8 4.83 1196 873 B 11 ILE H B 10 GLU HBx 1.0 1.8 4.83 1197 874 B 11 ILE H B 10 GLU HGx 1.0 1.8 4.60 1198 874 B 10 GLU HGy B 11 ILE H 1.0 1.8 4.60 1199 875 B 10 GLU H B 10 GLU HGx 1.0 1.8 4.42 1200 875 B 10 GLU H B 10 GLU HGy 1.0 1.8 4.42 1201 876 B 10 GLU H B 11 ILE H 1.0 1.8 4.98 1202 877 B 10 GLU H B 32 VAL HG11 1.0 1.8 3.88 1203 878 B 10 GLU H B 33 SER HBx 1.0 1.8 4.89 1204 878 B 10 GLU H B 33 SER HBy 1.0 1.8 4.89 1205 879 B 10 GLU H B 33 SER H 1.0 1.8 3.82 1206 880 B 10 GLU H B 34 PHE HA 1.0 1.8 4.54 1207 881 B 11 ILE HA B 11 ILE HD11 1.0 1.8 4.80 1208 882 B 11 ILE HA B 11 ILE HG21 1.0 1.8 3.74 1209 883 B 11 ILE HA B 12 GLU H 1.0 1.8 3.95 1210 884 B 11 ILE HA B 32 VAL HA 1.0 1.8 4.52 1211 885 B 32 VAL HG11 B 11 ILE HA 1.0 1.8 4.21 1212 886 B 11 ILE HA B 32 VAL HG21 1.0 1.8 3.96 1213 887 B 33 SER H B 11 ILE HA 1.0 1.8 4.52 1214 888 B 11 ILE HD11 B 11 ILE HB 1.0 1.8 3.74 1215 889 B 32 VAL HG11 B 11 ILE HD11 1.0 1.8 5.01 1216 890 B 11 ILE HD11 B 32 VAL HG21 1.0 1.8 4.57 1217 891 B 12 GLU H B 11 ILE HG1y 1.0 1.8 4.96 1218 891 B 12 GLU H B 11 ILE HG1x 1.0 1.8 4.96 1219 892 B 32 VAL HG21 B 11 ILE HG1y 1.0 1.8 5.01 1220 892 B 32 VAL HG21 B 11 ILE HG1x 1.0 1.8 5.01 1221 893 B 11 ILE HD11 B 11 ILE HG21 1.0 1.8 3.27 1222 894 B 11 ILE HG21 B 11 ILE HG1y 1.0 1.8 4.65 1223 895 B 11 ILE HG21 B 11 ILE HG1x 1.0 1.8 4.65 1224 896 B 11 ILE HG21 B 12 GLU H 1.0 1.8 3.96 1225 897 B 11 ILE HG21 B 13 GLU HBx 1.0 1.8 5.60 1226 897 B 11 ILE HG21 B 13 GLU HBy 1.0 1.8 5.60 1227 898 B 11 ILE HG21 B 13 GLU H 1.0 1.8 3.71 1228 899 B 11 ILE HG21 B 30 ASN HA 1.0 1.8 4.96 1229 900 B 11 ILE HG21 B 30 ASN HBy 1.0 1.8 3.98 1230 901 B 11 ILE HG21 B 30 ASN HBx 1.0 1.8 3.98 1231 902 B 11 ILE HG21 B 31 ARG H 1.0 1.8 4.39 1232 903 B 11 ILE HG21 B 32 VAL HA 1.0 1.8 4.79 1233 904 B 32 VAL HG11 B 11 ILE HG21 1.0 1.8 5.00 1234 905 B 11 ILE HG21 B 32 VAL HG21 1.0 1.8 3.65 1235 906 B 11 ILE H B 11 ILE HB 1.0 1.8 3.88 1236 907 B 11 ILE H B 11 ILE HD11 1.0 1.8 4.46 1237 908 B 11 ILE H B 11 ILE HG1y 1.0 1.8 4.69 1238 909 B 11 ILE H B 11 ILE HG1x 1.0 1.8 4.69 1239 910 B 11 ILE H B 11 ILE HG21 1.0 1.8 4.29 1240 911 B 11 ILE H B 12 GLU H 1.0 1.8 5.16 1241 912 B 32 VAL HG11 B 11 ILE H 1.0 1.8 5.07 1242 913 B 11 ILE H B 32 VAL HG21 1.0 1.8 5.25 1243 914 B 12 GLU HA B 12 GLU HGy 1.0 1.8 4.42 1244 915 B 12 GLU HA B 12 GLU HGx 1.0 1.8 4.42 1245 916 B 13 GLU H B 12 GLU HA 1.0 1.8 3.60 1246 917 B 13 GLU H B 12 GLU HBx 1.0 1.8 4.16 1247 917 B 13 GLU H B 12 GLU HBy 1.0 1.8 4.16 1248 918 B 39 ALA HB1 B 12 GLU HBx 1.0 1.8 4.32 1249 918 B 12 GLU HBy B 39 ALA HB1 1.0 1.8 4.32 1250 919 B 12 GLU HGx B 33 SER HBx 1.0 1.8 5.03 1251 919 B 12 GLU HGy B 33 SER HBx 1.0 1.8 5.03 1252 919 B 33 SER HBy B 12 GLU HGx 1.0 1.8 5.03 1253 919 B 33 SER HBy B 12 GLU HGy 1.0 1.8 5.03 1254 920 B 13 GLU H B 12 GLU HGy 1.0 1.8 5.09 1255 921 B 39 ALA HB1 B 12 GLU HGy 1.0 1.8 3.74 1256 922 B 13 GLU H B 12 GLU HGx 1.0 1.8 5.09 1257 923 B 32 VAL HA B 12 GLU HGx 1.0 1.8 5.19 1258 924 B 39 ALA HB1 B 12 GLU HGx 1.0 1.8 4.50 1259 925 B 12 GLU H B 12 GLU HGy 1.0 1.8 4.22 1260 926 B 12 GLU H B 12 GLU HGx 1.0 1.8 4.60 1261 927 B 12 GLU H B 13 GLU H 1.0 1.8 3.71 1262 928 B 12 GLU H B 32 VAL HA 1.0 1.8 4.49 1263 929 B 32 VAL HG11 B 12 GLU H 1.0 1.8 5.39 1264 930 B 12 GLU H B 32 VAL HG21 1.0 1.8 5.10 1265 931 B 33 SER H B 12 GLU H 1.0 1.8 5.07 1266 932 B 12 GLU H B 39 ALA HB1 1.0 1.8 4.96 1267 933 B 13 GLU HA B 13 GLU HGx 1.0 1.8 3.70 1268 933 B 13 GLU HA B 13 GLU HGy 1.0 1.8 3.70 1269 934 B 13 GLU HA B 14 HIS H 1.0 1.8 3.45 1270 935 B 13 GLU HBy B 31 ARG HBy 1.0 1.8 6.05 1271 935 B 13 GLU HBx B 31 ARG HBy 1.0 1.8 6.05 1272 936 B 13 GLU HBy B 31 ARG HBx 1.0 1.8 5.00 1273 936 B 31 ARG HBx B 13 GLU HBx 1.0 1.8 5.00 1274 937 B 13 GLU HBy B 31 ARG HDy 1.0 1.8 5.60 1275 937 B 13 GLU HBx B 31 ARG HDy 1.0 1.8 5.60 1276 937 B 31 ARG HDx B 13 GLU HBx 1.0 1.8 5.60 1277 937 B 13 GLU HBy B 31 ARG HDx 1.0 1.8 5.60 1278 938 B 31 ARG H B 13 GLU HBx 1.0 1.8 4.99 1279 938 B 13 GLU HBy B 31 ARG H 1.0 1.8 4.99 1280 939 B 39 ALA HB1 B 13 GLU HBx 1.0 1.8 6.05 1281 939 B 13 GLU HBy B 39 ALA HB1 1.0 1.8 6.05 1282 940 B 13 GLU HBy B 14 HIS H 1.0 1.8 4.74 1283 941 B 14 HIS H B 13 GLU HBx 1.0 1.8 4.74 1284 942 B 14 HIS H B 13 GLU HGx 1.0 1.8 4.37 1285 942 B 13 GLU HGy B 14 HIS H 1.0 1.8 4.37 1286 943 B 15 LEU HD21 B 13 GLU HGx 1.0 1.8 4.70 1287 943 B 13 GLU HGy B 15 LEU HD21 1.0 1.8 4.70 1288 944 B 13 GLU HGy B 31 ARG HDy 1.0 1.8 5.60 1289 944 B 13 GLU HGx B 31 ARG HDy 1.0 1.8 5.60 1290 944 B 31 ARG HDx B 13 GLU HGx 1.0 1.8 5.60 1291 944 B 13 GLU HGy B 31 ARG HDx 1.0 1.8 5.60 1292 945 B 13 GLU HBy B 13 GLU H 1.0 1.8 4.29 1293 946 B 13 GLU H B 13 GLU HBx 1.0 1.8 4.29 1294 947 B 13 GLU H B 13 GLU HGx 1.0 1.8 4.83 1295 947 B 13 GLU H B 13 GLU HGy 1.0 1.8 4.83 1296 948 B 13 GLU H B 14 HIS H 1.0 1.8 5.01 1297 949 B 13 GLU H B 30 ASN HBy 1.0 1.8 4.94 1298 949 B 13 GLU H B 30 ASN HBx 1.0 1.8 4.94 1299 950 B 13 GLU H B 31 ARG HBy 1.0 1.8 4.81 1300 950 B 13 GLU H B 31 ARG HBx 1.0 1.8 4.81 1301 951 B 13 GLU H B 31 ARG H 1.0 1.8 4.60 1302 952 B 13 GLU H B 39 ALA HB1 1.0 1.8 5.00 1303 953 B 14 HIS HA B 15 LEU H 1.0 1.8 3.80 1304 954 B 30 ASN HA B 14 HIS HA 1.0 1.8 4.62 1305 955 B 14 HIS HA B 30 ASN HBy 1.0 1.8 4.50 1306 955 B 30 ASN HBx B 14 HIS HA 1.0 1.8 4.50 1307 956 B 14 HIS H B 14 HIS HBy 1.0 1.8 4.09 1308 957 B 14 HIS H B 14 HIS HBx 1.0 1.8 4.09 1309 958 B 14 HIS H B 15 LEU H 1.0 1.8 5.48 1310 959 B 15 LEU HD21 B 15 LEU HA 1.0 1.8 3.13 1311 960 B 15 LEU HA B 15 LEU HG 1.0 1.8 3.71 1312 961 B 15 LEU HA B 16 LEU H 1.0 1.8 3.80 1313 962 B 15 LEU HD21 B 15 LEU HBy 1.0 1.8 3.30 1314 962 B 15 LEU HD21 B 15 LEU HBx 1.0 1.8 3.30 1315 963 B 29 ILE HB B 15 LEU HBy 1.0 1.8 4.83 1316 963 B 15 LEU HBx B 29 ILE HB 1.0 1.8 4.83 1317 964 B 30 ASN HA B 15 LEU HBy 1.0 1.8 5.07 1318 964 B 30 ASN HA B 15 LEU HBx 1.0 1.8 5.07 1319 965 B 15 LEU HD11 B 15 LEU HBy 1.0 1.8 3.27 1320 966 B 16 LEU H B 15 LEU HBy 1.0 1.8 3.83 1321 967 B 15 LEU HBx B 15 LEU HD11 1.0 1.8 3.27 1322 968 B 16 LEU H B 15 LEU HBx 1.0 1.8 3.83 1323 969 B 29 ILE HB B 15 LEU HD11 1.0 1.8 5.60 1324 970 B 15 LEU HD11 B 29 ILE HG21 1.0 1.8 5.60 1325 971 B 30 ASN HA B 15 LEU HD11 1.0 1.8 4.60 1326 972 B 15 LEU HD11 B 30 ASN HBy 1.0 1.8 5.10 1327 972 B 30 ASN HBx B 15 LEU HD11 1.0 1.8 5.10 1328 973 B 15 LEU HD11 B 31 ARG HA 1.0 1.8 5.07 1329 974 B 15 LEU HD11 B 31 ARG HGx 1.0 1.8 4.30 1330 974 B 15 LEU HD11 B 31 ARG HGy 1.0 1.8 4.30 1331 975 B 31 ARG H B 15 LEU HD11 1.0 1.8 4.80 1332 976 B 15 LEU HD11 B 41 PHE HA 1.0 1.8 4.80 1333 977 B 15 LEU HD11 B 41 PHE HD% 1.0 1.8 3.80 1334 978 B 15 LEU HD11 B 64 PHE HE% 1.0 1.8 5.15 1335 979 B 15 LEU HD11 B 64 PHE HZ 1.0 1.8 4.80 1336 980 B 30 ASN HA B 15 LEU HD21 1.0 1.8 4.90 1337 981 B 15 LEU HD21 B 31 ARG HDy 1.0 1.8 4.04 1338 981 B 31 ARG HDx B 15 LEU HD21 1.0 1.8 4.04 1339 982 B 15 LEU HD21 B 31 ARG HGx 1.0 1.8 3.81 1340 982 B 15 LEU HD21 B 31 ARG HGy 1.0 1.8 3.81 1341 983 B 15 LEU HD21 B 41 PHE HD% 1.0 1.8 4.80 1342 984 B 15 LEU HD21 B 64 PHE HD% 1.0 1.8 5.60 1343 985 B 15 LEU HD21 B 64 PHE HE% 1.0 1.8 4.80 1344 986 B 15 LEU HD21 B 64 PHE HZ 1.0 1.8 4.80 1345 987 B 30 ASN HA B 15 LEU HG 1.0 1.8 4.59 1346 988 B 15 LEU HD21 B 15 LEU H 1.0 1.8 4.62 1347 989 B 15 LEU H B 15 LEU HG 1.0 1.8 4.22 1348 990 B 15 LEU H B 16 LEU H 1.0 1.8 3.75 1349 991 B 15 LEU H B 29 ILE HG21 1.0 1.8 5.02 1350 992 B 15 LEU H B 29 ILE H 1.0 1.8 5.33 1351 993 B 30 ASN HA B 15 LEU H 1.0 1.8 4.19 1352 994 B 31 ARG H B 15 LEU H 1.0 1.8 4.91 1353 995 B 16 LEU HA B 17 THR H 1.0 1.8 3.40 1354 996 B 17 THR H B 16 LEU HBx 1.0 1.8 3.79 1355 996 B 17 THR H B 16 LEU HBy 1.0 1.8 3.79 1356 997 B 29 ILE HD11 B 16 LEU HBx 1.0 1.8 5.60 1357 997 B 16 LEU HBy B 29 ILE HD11 1.0 1.8 5.60 1358 998 B 17 THR H B 16 LEU HD11 1.0 1.8 4.80 1359 999 B 29 ILE HB B 16 LEU HD11 1.0 1.8 5.04 1360 1000 B 29 ILE HD11 B 16 LEU HD11 1.0 1.8 4.30 1361 1001 B 29 ILE H B 16 LEU HD11 1.0 1.8 5.60 1362 1002 B 29 ILE HB B 16 LEU HD21 1.0 1.8 4.49 1363 1003 B 29 ILE HD11 B 16 LEU HD21 1.0 1.8 4.30 1364 1004 B 29 ILE HG21 B 16 LEU HD21 1.0 1.8 5.60 1365 1005 B 29 ILE H B 16 LEU HD21 1.0 1.8 6.05 1366 1006 B 16 LEU H B 17 THR H 1.0 1.8 4.80 1367 1007 B 16 LEU H B 29 ILE HB 1.0 1.8 4.80 1368 1008 B 16 LEU H B 29 ILE HD11 1.0 1.8 4.99 1369 1009 B 16 LEU H B 29 ILE H 1.0 1.8 4.60 1370 1010 B 30 ASN HA B 16 LEU H 1.0 1.8 4.57 1371 1011 B 17 THR HA B 17 THR HG21 1.0 1.8 3.30 1372 1012 B 17 THR HA B 18 LEU H 1.0 1.8 3.80 1373 1013 B 17 THR HA B 28 GLU HA 1.0 1.8 4.52 1374 1014 B 17 THR HG21 B 18 LEU H 1.0 1.8 4.02 1375 1015 B 17 THR HG21 B 26 THR HB 1.0 1.8 5.40 1376 1016 B 17 THR HG21 B 27 LYS H 1.0 1.8 4.91 1377 1017 B 17 THR HG21 B 28 GLU HA 1.0 1.8 4.29 1378 1018 B 29 ILE H B 17 THR HG21 1.0 1.8 5.18 1379 1019 B 17 THR H B 17 THR HB 1.0 1.8 3.87 1380 1020 B 17 THR H B 17 THR HG21 1.0 1.8 4.37 1381 1021 B 17 THR H B 18 LEU H 1.0 1.8 5.24 1382 1022 B 18 LEU HA B 18 LEU HD11 1.0 1.8 4.42 1383 1023 B 18 LEU HA B 18 LEU HD21 1.0 1.8 3.31 1384 1024 B 18 LEU HA B 18 LEU HG 1.0 1.8 4.07 1385 1025 B 18 LEU HA B 19 SER H 1.0 1.8 3.80 1386 1026 B 19 SER H B 18 LEU HBy 1.0 1.8 4.51 1387 1026 B 19 SER H B 18 LEU HBx 1.0 1.8 4.51 1388 1027 B 27 LYS H B 18 LEU HBy 1.0 1.8 5.03 1389 1027 B 27 LYS H B 18 LEU HBx 1.0 1.8 5.03 1390 1028 B 18 LEU HD11 B 18 LEU HBy 1.0 1.8 3.58 1391 1029 B 18 LEU HD21 B 18 LEU HBy 1.0 1.8 3.64 1392 1030 B 18 LEU HD11 B 18 LEU HBx 1.0 1.8 3.58 1393 1031 B 18 LEU HD21 B 18 LEU HBx 1.0 1.8 3.64 1394 1032 B 18 LEU HD11 B 27 LYS HBy 1.0 1.8 4.80 1395 1033 B 18 LEU HD11 B 27 LYS HBx 1.0 1.8 4.80 1396 1034 B 18 LEU HD11 B 27 LYS HEx 1.0 1.8 5.39 1397 1034 B 18 LEU HD11 B 27 LYS HEy 1.0 1.8 5.39 1398 1035 B 18 LEU HD11 B 27 LYS HGy 1.0 1.8 4.57 1399 1035 B 18 LEU HD11 B 27 LYS HGx 1.0 1.8 4.57 1400 1036 B 29 ILE HD11 B 18 LEU HD11 1.0 1.8 4.11 1401 1037 B 18 LEU HD11 B 43 ILE HG21 1.0 1.8 3.95 1402 1038 B 29 ILE HD11 B 18 LEU HD21 1.0 1.8 3.78 1403 1039 B 18 LEU HD21 B 29 ILE HG1x 1.0 1.8 5.18 1404 1039 B 18 LEU HD21 B 29 ILE HG1y 1.0 1.8 5.18 1405 1040 B 29 ILE HG21 B 18 LEU HD21 1.0 1.8 5.32 1406 1041 B 18 LEU HG B 27 LYS HGy 1.0 1.8 5.01 1407 1041 B 18 LEU HG B 27 LYS HGx 1.0 1.8 5.01 1408 1042 B 18 LEU HG B 29 ILE HG1x 1.0 1.8 5.24 1409 1042 B 18 LEU HG B 29 ILE HG1y 1.0 1.8 5.24 1410 1043 B 18 LEU H B 18 LEU HD11 1.0 1.8 4.69 1411 1044 B 18 LEU H B 18 LEU HD21 1.0 1.8 4.51 1412 1045 B 18 LEU H B 18 LEU HG 1.0 1.8 4.49 1413 1046 B 18 LEU H B 19 SER H 1.0 1.8 4.30 1414 1047 B 18 LEU H B 28 GLU HA 1.0 1.8 5.17 1415 1048 B 19 SER HA B 20 GLU H 1.0 1.8 3.60 1416 1049 B 20 GLU H B 19 SER HBx 1.0 1.8 4.30 1417 1049 B 20 GLU H B 19 SER HBy 1.0 1.8 4.30 1418 1050 B 19 SER H B 20 GLU H 1.0 1.8 4.92 1419 1051 B 19 SER H B 27 LYS HBy 1.0 1.8 5.00 1420 1051 B 19 SER H B 27 LYS HBx 1.0 1.8 5.00 1421 1052 B 27 LYS H B 19 SER H 1.0 1.8 4.80 1422 1053 B 20 GLU HA B 21 ASN H 1.0 1.8 3.48 1423 1054 B 20 GLU HA B 26 THR HA 1.0 1.8 4.18 1424 1055 B 20 GLU HA B 26 THR HG21 1.0 1.8 3.79 1425 1056 B 27 LYS H B 20 GLU HA 1.0 1.8 4.54 1426 1057 B 21 ASN H B 20 GLU HBy 1.0 1.8 4.75 1427 1058 B 26 THR HG21 B 20 GLU HBy 1.0 1.8 4.50 1428 1059 B 21 ASN H B 20 GLU HBx 1.0 1.8 4.75 1429 1060 B 26 THR HG21 B 20 GLU HBx 1.0 1.8 4.80 1430 1061 B 21 ASN H B 20 GLU HGx 1.0 1.8 3.82 1431 1061 B 21 ASN H B 20 GLU HGy 1.0 1.8 3.82 1432 1062 B 24 GLY H B 20 GLU HGx 1.0 1.8 4.80 1433 1062 B 20 GLU HGy B 24 GLY H 1.0 1.8 4.80 1434 1063 B 25 TRP H B 20 GLU HGx 1.0 1.8 5.10 1435 1063 B 20 GLU HGy B 25 TRP H 1.0 1.8 5.10 1436 1064 B 26 THR HG21 B 20 GLU HGx 1.0 1.8 4.80 1437 1064 B 26 THR HG21 B 20 GLU HGy 1.0 1.8 4.80 1438 1065 B 20 GLU H B 20 GLU HBy 1.0 1.8 3.87 1439 1066 B 20 GLU H B 20 GLU HBx 1.0 1.8 3.87 1440 1067 B 20 GLU H B 20 GLU HGx 1.0 1.8 4.59 1441 1067 B 20 GLU H B 20 GLU HGy 1.0 1.8 4.59 1442 1068 B 20 GLU H B 21 ASN H 1.0 1.8 4.98 1443 1069 B 21 ASN HA B 22 GLU H 1.0 1.8 3.36 1444 1070 B 22 GLU H B 21 ASN HBy 1.0 1.8 4.41 1445 1071 B 22 GLU H B 21 ASN HBx 1.0 1.8 4.41 1446 1072 B 21 ASN H B 22 GLU H 1.0 1.8 5.07 1447 1073 B 21 ASN H B 25 TRP H 1.0 1.8 4.35 1448 1074 B 21 ASN H B 26 THR HA 1.0 1.8 4.52 1449 1075 B 21 ASN H B 26 THR HG21 1.0 1.8 4.80 1450 1076 B 22 GLU HA B 22 GLU HGx 1.0 1.8 3.83 1451 1076 B 22 GLU HA B 22 GLU HGy 1.0 1.8 3.83 1452 1077 B 23 LYS H B 22 GLU HBx 1.0 1.8 4.27 1453 1077 B 22 GLU HBy B 23 LYS H 1.0 1.8 4.27 1454 1078 B 23 LYS H B 22 GLU HGx 1.0 1.8 5.00 1455 1078 B 22 GLU HGy B 23 LYS H 1.0 1.8 5.00 1456 1079 B 22 GLU H B 22 GLU HBx 1.0 1.8 3.60 1457 1079 B 22 GLU H B 22 GLU HBy 1.0 1.8 3.60 1458 1080 B 22 GLU H B 22 GLU HGx 1.0 1.8 4.30 1459 1080 B 22 GLU H B 22 GLU HGy 1.0 1.8 4.30 1460 1081 B 22 GLU H B 23 LYS H 1.0 1.8 4.80 1461 1082 B 24 GLY H B 23 LYS HBy 1.0 1.8 4.03 1462 1082 B 24 GLY H B 23 LYS HBx 1.0 1.8 4.03 1463 1083 B 23 LYS H B 23 LYS HBy 1.0 1.8 4.26 1464 1084 B 23 LYS H B 23 LYS HBx 1.0 1.8 4.26 1465 1085 B 24 GLY H B 23 LYS H 1.0 1.8 4.30 1466 1086 B 24 GLY HAy B 48 PRO HGy 1.0 1.8 5.28 1467 1086 B 24 GLY HAy B 48 PRO HGx 1.0 1.8 5.28 1468 1087 B 24 GLY HAx B 48 PRO HGy 1.0 1.8 6.05 1469 1087 B 48 PRO HGx B 24 GLY HAx 1.0 1.8 6.05 1470 1088 B 24 GLY H B 25 TRP H 1.0 1.8 3.39 1471 1089 B 25 TRP HA B 26 THR H 1.0 1.8 3.31 1472 1090 B 25 TRP HA B 48 PRO HDx 1.0 1.8 5.93 1473 1090 B 25 TRP HA B 48 PRO HDy 1.0 1.8 5.93 1474 1091 B 45 ALA HB1 B 25 TRP HBx 1.0 1.8 4.39 1475 1091 B 25 TRP HBy B 45 ALA HB1 1.0 1.8 4.39 1476 1092 B 26 THR H B 25 TRP HBy 1.0 1.8 4.70 1477 1093 B 26 THR H B 25 TRP HBx 1.0 1.8 4.70 1478 1094 B 25 TRP HE1 B 47 SER HBx 1.0 1.8 6.05 1479 1094 B 25 TRP HE1 B 47 SER HBy 1.0 1.8 6.05 1480 1095 B 48 PRO HDy B 25 TRP HE1 1.0 1.8 5.00 1481 1096 B 25 TRP HE1 B 48 PRO HDx 1.0 1.8 5.00 1482 1097 B 48 PRO HGx B 25 TRP HE1 1.0 1.8 5.29 1483 1098 B 25 TRP HE1 B 52 LYS HEx 1.0 1.8 5.47 1484 1098 B 25 TRP HE1 B 52 LYS HEy 1.0 1.8 5.47 1485 1099 B 25 TRP HH2 B 52 LYS HBy 1.0 1.8 5.57 1486 1100 B 25 TRP HH2 B 52 LYS HBx 1.0 1.8 5.57 1487 1101 B 25 TRP HH2 B 52 LYS HDy 1.0 1.8 4.58 1488 1101 B 25 TRP HH2 B 52 LYS HDx 1.0 1.8 4.58 1489 1102 B 25 TRP HH2 B 52 LYS HGx 1.0 1.8 5.60 1490 1102 B 25 TRP HH2 B 52 LYS HGy 1.0 1.8 5.60 1491 1103 B 25 TRP HH2 B 53 MET H 1.0 1.8 5.21 1492 1104 B 25 TRP H B 25 TRP HD1 1.0 1.8 3.66 1493 1105 B 25 TRP H B 26 THR H 1.0 1.8 5.21 1494 1106 B 25 TRP H B 48 PRO HDx 1.0 1.8 5.09 1495 1106 B 25 TRP H B 48 PRO HDy 1.0 1.8 5.09 1496 1107 B 25 TRP HZ2 B 52 LYS HDy 1.0 1.8 4.43 1497 1108 B 52 LYS HDx B 25 TRP HZ2 1.0 1.8 4.43 1498 1109 B 25 TRP HZ2 B 52 LYS HGx 1.0 1.8 4.76 1499 1109 B 52 LYS HGy B 25 TRP HZ2 1.0 1.8 4.76 1500 1110 B 45 ALA HB1 B 25 TRP HZ3 1.0 1.8 4.70 1501 1111 B 26 THR HA B 26 THR HG21 1.0 1.8 3.48 1502 1112 B 27 LYS H B 26 THR HA 1.0 1.8 3.61 1503 1113 B 26 THR HB B 27 LYS H 1.0 1.8 4.31 1504 1114 B 27 LYS H B 26 THR HG21 1.0 1.8 4.83 1505 1115 B 26 THR HG21 B 26 THR H 1.0 1.8 3.90 1506 1116 B 26 THR H B 45 ALA HB1 1.0 1.8 4.85 1507 1117 B 26 THR H B 46 TRP HBx 1.0 1.8 5.60 1508 1117 B 26 THR H B 46 TRP HBy 1.0 1.8 5.60 1509 1118 B 26 THR H B 46 TRP H 1.0 1.8 4.27 1510 1119 B 27 LYS HA B 27 LYS HEx 1.0 1.8 5.22 1511 1119 B 27 LYS HEy B 27 LYS HA 1.0 1.8 5.22 1512 1120 B 27 LYS HA B 28 GLU H 1.0 1.8 3.92 1513 1121 B 27 LYS HA B 45 ALA HA 1.0 1.8 4.41 1514 1122 B 45 ALA HB1 B 27 LYS HA 1.0 1.8 4.06 1515 1123 B 46 TRP H B 27 LYS HA 1.0 1.8 4.75 1516 1124 B 27 LYS HBx B 27 LYS HDx 1.0 1.8 3.51 1517 1124 B 27 LYS HBy B 27 LYS HDx 1.0 1.8 3.51 1518 1124 B 27 LYS HDy B 27 LYS HBy 1.0 1.8 3.51 1519 1124 B 27 LYS HBx B 27 LYS HDy 1.0 1.8 3.51 1520 1125 B 27 LYS HBx B 27 LYS HEx 1.0 1.8 3.37 1521 1125 B 27 LYS HBy B 27 LYS HEx 1.0 1.8 3.37 1522 1125 B 27 LYS HEy B 27 LYS HBy 1.0 1.8 3.37 1523 1125 B 27 LYS HEy B 27 LYS HBx 1.0 1.8 3.37 1524 1126 B 28 GLU H B 27 LYS HBy 1.0 1.8 4.52 1525 1126 B 27 LYS HBx B 28 GLU H 1.0 1.8 4.52 1526 1127 B 45 ALA HB1 B 27 LYS HEx 1.0 1.8 5.00 1527 1127 B 27 LYS HEy B 45 ALA HB1 1.0 1.8 5.00 1528 1128 B 27 LYS HEy B 27 LYS HGy 1.0 1.8 3.30 1529 1128 B 27 LYS HEx B 27 LYS HGy 1.0 1.8 3.30 1530 1128 B 27 LYS HGx B 27 LYS HEx 1.0 1.8 3.30 1531 1128 B 27 LYS HEy B 27 LYS HGx 1.0 1.8 3.30 1532 1129 B 28 GLU H B 27 LYS HGy 1.0 1.8 4.37 1533 1129 B 27 LYS HGx B 28 GLU H 1.0 1.8 4.37 1534 1130 B 44 ARG HA B 27 LYS HGy 1.0 1.8 5.13 1535 1130 B 27 LYS HGx B 44 ARG HA 1.0 1.8 5.13 1536 1131 B 45 ALA HB1 B 27 LYS HGy 1.0 1.8 5.00 1537 1131 B 27 LYS HGx B 45 ALA HB1 1.0 1.8 5.00 1538 1132 B 45 ALA HA B 27 LYS HGy 1.0 1.8 5.60 1539 1133 B 27 LYS HGx B 45 ALA HA 1.0 1.8 5.60 1540 1134 B 27 LYS H B 27 LYS HBy 1.0 1.8 3.66 1541 1134 B 27 LYS H B 27 LYS HBx 1.0 1.8 3.66 1542 1135 B 27 LYS H B 27 LYS HEx 1.0 1.8 5.30 1543 1135 B 27 LYS H B 27 LYS HEy 1.0 1.8 5.30 1544 1136 B 27 LYS H B 27 LYS HGy 1.0 1.8 4.75 1545 1136 B 27 LYS H B 27 LYS HGx 1.0 1.8 4.75 1546 1137 B 29 ILE H B 28 GLU HA 1.0 1.8 3.92 1547 1138 B 46 TRP HD1 B 28 GLU HBx 1.0 1.8 6.05 1548 1138 B 28 GLU HBy B 46 TRP HD1 1.0 1.8 6.05 1549 1139 B 29 ILE H B 28 GLU H 1.0 1.8 5.21 1550 1140 B 28 GLU H B 44 ARG H 1.0 1.8 4.68 1551 1141 B 28 GLU H B 45 ALA HA 1.0 1.8 4.54 1552 1142 B 45 ALA HB1 B 28 GLU H 1.0 1.8 5.01 1553 1143 B 28 GLU H B 46 TRP HD1 1.0 1.8 5.05 1554 1144 B 29 ILE HD11 B 29 ILE HA 1.0 1.8 4.52 1555 1145 B 29 ILE HG21 B 29 ILE HA 1.0 1.8 3.58 1556 1146 B 29 ILE HA B 30 ASN H 1.0 1.8 3.60 1557 1147 B 29 ILE HA B 43 ILE HA 1.0 1.8 5.20 1558 1148 B 43 ILE HG21 B 29 ILE HA 1.0 1.8 4.28 1559 1149 B 44 ARG H B 29 ILE HA 1.0 1.8 4.73 1560 1150 B 29 ILE HB B 29 ILE HD11 1.0 1.8 3.18 1561 1151 B 64 PHE HE% B 29 ILE HD11 1.0 1.8 4.81 1562 1152 B 64 PHE HZ B 29 ILE HD11 1.0 1.8 4.99 1563 1153 B 29 ILE HD11 B 67 MET HE1 1.0 1.8 4.69 1564 1154 B 30 ASN H B 29 ILE HG1x 1.0 1.8 5.09 1565 1154 B 29 ILE HG1y B 30 ASN H 1.0 1.8 5.09 1566 1155 B 43 ILE HA B 29 ILE HG1x 1.0 1.8 5.53 1567 1155 B 29 ILE HG1y B 43 ILE HA 1.0 1.8 5.53 1568 1156 B 43 ILE HG21 B 29 ILE HG1x 1.0 1.8 4.30 1569 1156 B 43 ILE HG21 B 29 ILE HG1y 1.0 1.8 4.30 1570 1157 B 29 ILE HG21 B 29 ILE HD11 1.0 1.8 3.30 1571 1158 B 29 ILE HG21 B 30 ASN H 1.0 1.8 3.83 1572 1159 B 29 ILE HG21 B 41 PHE HA 1.0 1.8 4.88 1573 1160 B 29 ILE HG21 B 41 PHE HBy 1.0 1.8 4.90 1574 1160 B 29 ILE HG21 B 41 PHE HBx 1.0 1.8 4.90 1575 1161 B 29 ILE HG21 B 42 ASP H 1.0 1.8 4.09 1576 1162 B 29 ILE HG21 B 43 ILE HA 1.0 1.8 4.23 1577 1163 B 29 ILE HG21 B 43 ILE HG1y 1.0 1.8 4.30 1578 1163 B 29 ILE HG21 B 43 ILE HG1x 1.0 1.8 4.30 1579 1164 B 29 ILE HG21 B 44 ARG H 1.0 1.8 5.07 1580 1165 B 29 ILE HG21 B 64 PHE HD% 1.0 1.8 5.43 1581 1166 B 29 ILE HG21 B 64 PHE HE% 1.0 1.8 4.51 1582 1167 B 29 ILE HG21 B 64 PHE HZ 1.0 1.8 3.43 1583 1168 B 29 ILE H B 29 ILE HD11 1.0 1.8 4.71 1584 1169 B 30 ASN HA B 31 ARG H 1.0 1.8 3.60 1585 1170 B 30 ASN HBy B 30 ASN HD2x 1.0 1.8 3.33 1586 1170 B 30 ASN HBx B 30 ASN HD2x 1.0 1.8 3.33 1587 1170 B 30 ASN HD2y B 30 ASN HBy 1.0 1.8 3.33 1588 1170 B 30 ASN HBx B 30 ASN HD2y 1.0 1.8 3.33 1589 1171 B 31 ARG H B 30 ASN HBy 1.0 1.8 3.84 1590 1171 B 31 ARG H B 30 ASN HBx 1.0 1.8 3.84 1591 1172 B 32 VAL HG21 B 30 ASN HBy 1.0 1.8 5.06 1592 1172 B 32 VAL HG21 B 30 ASN HBx 1.0 1.8 5.06 1593 1173 B 31 ARG H B 30 ASN H 1.0 1.8 5.00 1594 1174 B 41 PHE HA B 30 ASN H 1.0 1.8 5.83 1595 1175 B 30 ASN H B 42 ASP H 1.0 1.8 4.62 1596 1176 B 30 ASN H B 43 ILE HA 1.0 1.8 5.28 1597 1177 B 43 ILE HG21 B 30 ASN H 1.0 1.8 5.48 1598 1178 B 31 ARG HA B 32 VAL H 1.0 1.8 3.65 1599 1179 B 31 ARG HA B 41 PHE HA 1.0 1.8 4.51 1600 1180 B 31 ARG HA B 42 ASP H 1.0 1.8 4.51 1601 1181 B 31 ARG HBy B 31 ARG HDy 1.0 1.8 3.39 1602 1181 B 31 ARG HBx B 31 ARG HDy 1.0 1.8 3.39 1603 1181 B 31 ARG HDx B 31 ARG HBy 1.0 1.8 3.39 1604 1181 B 31 ARG HDx B 31 ARG HBx 1.0 1.8 3.39 1605 1182 B 39 ALA HB1 B 31 ARG HBy 1.0 1.8 4.07 1606 1182 B 39 ALA HB1 B 31 ARG HBx 1.0 1.8 4.07 1607 1183 B 31 ARG HBy B 31 ARG HDy 1.0 1.8 4.39 1608 1184 B 31 ARG HDx B 31 ARG HBy 1.0 1.8 4.39 1609 1185 B 32 VAL H B 31 ARG HBy 1.0 1.8 4.76 1610 1186 B 31 ARG HBx B 31 ARG HDy 1.0 1.8 4.39 1611 1187 B 31 ARG HDx B 31 ARG HBx 1.0 1.8 4.39 1612 1188 B 31 ARG HBx B 32 VAL H 1.0 1.8 4.76 1613 1189 B 31 ARG HH2% B 31 ARG HDy 1.0 1.8 5.00 1614 1189 B 31 ARG HDx B 31 ARG HH2% 1.0 1.8 5.00 1615 1190 B 39 ALA HB1 B 31 ARG HDy 1.0 1.8 4.72 1616 1190 B 39 ALA HB1 B 31 ARG HDx 1.0 1.8 4.72 1617 1191 B 41 PHE HA B 31 ARG HDy 1.0 1.8 5.42 1618 1191 B 31 ARG HDx B 41 PHE HA 1.0 1.8 5.42 1619 1192 B 41 PHE HD% B 31 ARG HDy 1.0 1.8 5.00 1620 1192 B 31 ARG HDx B 41 PHE HD% 1.0 1.8 5.00 1621 1193 B 39 ALA HB1 B 31 ARG HE 1.0 1.8 4.74 1622 1194 B 32 VAL H B 31 ARG HGx 1.0 1.8 5.06 1623 1194 B 31 ARG HGy B 32 VAL H 1.0 1.8 5.06 1624 1195 B 41 PHE HA B 31 ARG HGx 1.0 1.8 4.27 1625 1195 B 31 ARG HGy B 41 PHE HA 1.0 1.8 4.27 1626 1196 B 41 PHE HD% B 31 ARG HGx 1.0 1.8 5.18 1627 1196 B 31 ARG HGy B 41 PHE HD% 1.0 1.8 5.18 1628 1197 B 42 ASP H B 31 ARG HGx 1.0 1.8 5.17 1629 1197 B 31 ARG HGy B 42 ASP H 1.0 1.8 5.17 1630 1198 B 39 ALA HB1 B 31 ARG HH2% 1.0 1.8 4.22 1631 1199 B 31 ARG H B 31 ARG HGx 1.0 1.8 4.04 1632 1199 B 31 ARG H B 31 ARG HGy 1.0 1.8 4.04 1633 1200 B 32 VAL HG11 B 32 VAL HA 1.0 1.8 3.61 1634 1201 B 32 VAL HA B 32 VAL HG21 1.0 1.8 3.83 1635 1202 B 33 SER H B 32 VAL HA 1.0 1.8 3.89 1636 1203 B 33 SER H B 32 VAL HB 1.0 1.8 5.09 1637 1204 B 32 VAL HB B 34 PHE HZ 1.0 1.8 4.80 1638 1205 B 32 VAL HG11 B 33 SER H 1.0 1.8 3.87 1639 1206 B 32 VAL HG11 B 34 PHE HD% 1.0 1.8 4.39 1640 1207 B 32 VAL HG11 B 34 PHE HZ 1.0 1.8 4.06 1641 1208 B 33 SER H B 32 VAL HG21 1.0 1.8 4.85 1642 1209 B 32 VAL HG21 B 34 PHE HZ 1.0 1.8 4.60 1643 1210 B 32 VAL HG21 B 42 ASP HBx 1.0 1.8 3.95 1644 1210 B 32 VAL HG21 B 42 ASP HBy 1.0 1.8 3.95 1645 1211 B 32 VAL H B 32 VAL HB 1.0 1.8 4.18 1646 1212 B 32 VAL HG11 B 32 VAL H 1.0 1.8 4.47 1647 1213 B 32 VAL HG21 B 32 VAL H 1.0 1.8 3.81 1648 1214 B 33 SER H B 32 VAL H 1.0 1.8 5.13 1649 1215 B 32 VAL H B 39 ALA HA 1.0 1.8 5.22 1650 1216 B 39 ALA HB1 B 32 VAL H 1.0 1.8 4.21 1651 1217 B 32 VAL H B 40 LYS H 1.0 1.8 4.22 1652 1218 B 32 VAL H B 42 ASP HBx 1.0 1.8 4.66 1653 1218 B 32 VAL H B 42 ASP HBy 1.0 1.8 4.66 1654 1219 B 33 SER HA B 34 PHE H 1.0 1.8 3.60 1655 1220 B 39 ALA HA B 33 SER HA 1.0 1.8 4.41 1656 1221 B 39 ALA HB1 B 33 SER HA 1.0 1.8 4.30 1657 1222 B 33 SER HA B 39 ALA H 1.0 1.8 4.91 1658 1223 B 40 LYS H B 33 SER HA 1.0 1.8 4.60 1659 1224 B 39 ALA HB1 B 33 SER HBx 1.0 1.8 3.82 1660 1224 B 33 SER HBy B 39 ALA HB1 1.0 1.8 3.82 1661 1225 B 33 SER H B 34 PHE H 1.0 1.8 5.19 1662 1226 B 33 SER H B 39 ALA HB1 1.0 1.8 5.29 1663 1227 B 34 PHE HA B 34 PHE HD% 1.0 1.8 4.35 1664 1228 B 35 ASN H B 34 PHE HA 1.0 1.8 3.59 1665 1229 B 35 ASN H B 34 PHE HBx 1.0 1.8 4.30 1666 1229 B 35 ASN H B 34 PHE HBy 1.0 1.8 4.30 1667 1230 B 35 ASN H B 34 PHE HD% 1.0 1.8 5.07 1668 1231 B 34 PHE HD% B 34 PHE H 1.0 1.8 4.63 1669 1232 B 34 PHE HZ B 58 THR HG21 1.0 1.8 4.80 1670 1233 B 35 ASN HA B 36 GLY H 1.0 1.8 3.60 1671 1234 B 35 ASN HBx B 35 ASN HD2x 1.0 1.8 3.33 1672 1234 B 35 ASN HBy B 35 ASN HD2x 1.0 1.8 3.33 1673 1234 B 35 ASN HD2y B 35 ASN HBx 1.0 1.8 3.33 1674 1234 B 35 ASN HD2y B 35 ASN HBy 1.0 1.8 3.33 1675 1235 B 36 GLY H B 35 ASN HBx 1.0 1.8 4.00 1676 1235 B 36 GLY H B 35 ASN HBy 1.0 1.8 4.00 1677 1236 B 35 ASN H B 36 GLY H 1.0 1.8 4.60 1678 1237 B 37 ALA H B 36 GLY HAx 1.0 1.8 3.40 1679 1237 B 36 GLY HAy B 37 ALA H 1.0 1.8 3.40 1680 1238 B 36 GLY H B 37 ALA H 1.0 1.8 4.80 1681 1239 B 37 ALA HA B 38 PRO HDx 1.0 1.8 3.34 1682 1239 B 37 ALA HA B 38 PRO HDy 1.0 1.8 3.34 1683 1240 B 37 ALA HB1 B 38 PRO HDx 1.0 1.8 5.00 1684 1240 B 38 PRO HDy B 37 ALA HB1 1.0 1.8 5.00 1685 1241 B 37 ALA HB1 B 38 PRO HGx 1.0 1.8 5.00 1686 1241 B 37 ALA HB1 B 38 PRO HGy 1.0 1.8 5.00 1687 1242 B 37 ALA H B 37 ALA HB1 1.0 1.8 3.30 1688 1243 B 39 ALA HB1 B 38 PRO HA 1.0 1.8 4.51 1689 1244 B 39 ALA H B 38 PRO HA 1.0 1.8 3.80 1690 1245 B 39 ALA H B 38 PRO HBx 1.0 1.8 3.98 1691 1245 B 39 ALA H B 38 PRO HBy 1.0 1.8 3.98 1692 1246 B 39 ALA H B 38 PRO HGx 1.0 1.8 5.38 1693 1246 B 39 ALA H B 38 PRO HGy 1.0 1.8 5.38 1694 1247 B 39 ALA HA B 40 LYS HBx 1.0 1.8 5.07 1695 1247 B 39 ALA HA B 40 LYS HBy 1.0 1.8 5.07 1696 1248 B 39 ALA HA B 40 LYS H 1.0 1.8 3.67 1697 1249 B 39 ALA HB1 B 40 LYS H 1.0 1.8 3.71 1698 1250 B 39 ALA HB1 B 39 ALA H 1.0 1.8 3.23 1699 1251 B 40 LYS H B 39 ALA H 1.0 1.8 5.02 1700 1252 B 40 LYS HA B 40 LYS HDx 1.0 1.8 4.60 1701 1252 B 40 LYS HA B 40 LYS HDy 1.0 1.8 4.60 1702 1253 B 40 LYS HA B 41 PHE H 1.0 1.8 3.47 1703 1254 B 40 LYS HBy B 40 LYS HEx 1.0 1.8 4.19 1704 1254 B 40 LYS HBx B 40 LYS HEx 1.0 1.8 4.19 1705 1254 B 40 LYS HEy B 40 LYS HBx 1.0 1.8 4.19 1706 1254 B 40 LYS HBy B 40 LYS HEy 1.0 1.8 4.19 1707 1255 B 41 PHE H B 40 LYS HBx 1.0 1.8 3.88 1708 1255 B 40 LYS HBy B 41 PHE H 1.0 1.8 3.88 1709 1256 B 41 PHE H B 40 LYS HDx 1.0 1.8 5.10 1710 1256 B 40 LYS HDy B 41 PHE H 1.0 1.8 5.10 1711 1257 B 60 SER HA B 40 LYS HDx 1.0 1.8 5.29 1712 1257 B 40 LYS HDy B 60 SER HA 1.0 1.8 5.29 1713 1258 B 61 ASN H B 40 LYS HDx 1.0 1.8 5.27 1714 1258 B 40 LYS HDy B 61 ASN H 1.0 1.8 5.27 1715 1259 B 60 SER HA B 40 LYS HEx 1.0 1.8 4.80 1716 1259 B 40 LYS HEy B 60 SER HA 1.0 1.8 4.80 1717 1260 B 61 ASN H B 40 LYS HEx 1.0 1.8 4.80 1718 1260 B 40 LYS HEy B 61 ASN H 1.0 1.8 4.80 1719 1261 B 40 LYS HEx B 40 LYS HGy 1.0 1.8 3.37 1720 1261 B 40 LYS HEy B 40 LYS HGy 1.0 1.8 3.37 1721 1261 B 40 LYS HGx B 40 LYS HEx 1.0 1.8 3.37 1722 1261 B 40 LYS HEy B 40 LYS HGx 1.0 1.8 3.37 1723 1262 B 60 SER HA B 40 LYS HGy 1.0 1.8 4.77 1724 1262 B 60 SER HA B 40 LYS HGx 1.0 1.8 4.77 1725 1263 B 41 PHE H B 40 LYS HGy 1.0 1.8 5.28 1726 1264 B 41 PHE H B 40 LYS HGx 1.0 1.8 5.28 1727 1265 B 40 LYS H B 40 LYS HBx 1.0 1.8 3.92 1728 1265 B 40 LYS H B 40 LYS HBy 1.0 1.8 3.92 1729 1266 B 40 LYS H B 40 LYS HDx 1.0 1.8 4.95 1730 1266 B 40 LYS H B 40 LYS HDy 1.0 1.8 4.95 1731 1267 B 41 PHE HA B 41 PHE HD% 1.0 1.8 4.69 1732 1268 B 41 PHE HA B 42 ASP H 1.0 1.8 3.72 1733 1269 B 59 LEU H B 41 PHE HBy 1.0 1.8 5.58 1734 1269 B 41 PHE HBx B 59 LEU H 1.0 1.8 5.58 1735 1270 B 64 PHE HZ B 41 PHE HBy 1.0 1.8 5.40 1736 1270 B 64 PHE HZ B 41 PHE HBx 1.0 1.8 5.40 1737 1271 B 42 ASP H B 41 PHE HBy 1.0 1.8 4.93 1738 1272 B 59 LEU HD11 B 41 PHE HBy 1.0 1.8 5.00 1739 1273 B 41 PHE HBx B 42 ASP H 1.0 1.8 4.93 1740 1274 B 41 PHE HBx B 59 LEU HD11 1.0 1.8 5.70 1741 1275 B 41 PHE HD% B 42 ASP H 1.0 1.8 4.87 1742 1276 B 41 PHE HD% B 61 ASN HA 1.0 1.8 4.40 1743 1277 B 41 PHE HD% B 64 PHE HA 1.0 1.8 5.56 1744 1278 B 41 PHE H B 41 PHE HBy 1.0 1.8 4.21 1745 1279 B 41 PHE HBx B 41 PHE H 1.0 1.8 4.21 1746 1280 B 41 PHE HD% B 41 PHE H 1.0 1.8 4.02 1747 1281 B 42 ASP H B 41 PHE H 1.0 1.8 5.07 1748 1282 B 41 PHE H B 59 LEU H 1.0 1.8 5.64 1749 1283 B 42 ASP HA B 43 ILE H 1.0 1.8 3.75 1750 1284 B 42 ASP HA B 57 ILE HG21 1.0 1.8 5.26 1751 1285 B 42 ASP HA B 58 THR HA 1.0 1.8 4.43 1752 1286 B 58 THR HG21 B 42 ASP HA 1.0 1.8 4.15 1753 1287 B 59 LEU HD11 B 42 ASP HA 1.0 1.8 5.36 1754 1288 B 42 ASP HA B 59 LEU HG 1.0 1.8 5.51 1755 1289 B 59 LEU H B 42 ASP HA 1.0 1.8 4.93 1756 1290 B 59 LEU H B 42 ASP HBx 1.0 1.8 5.87 1757 1290 B 42 ASP HBy B 59 LEU H 1.0 1.8 5.87 1758 1291 B 42 ASP H B 58 THR HA 1.0 1.8 6.05 1759 1292 B 43 ILE HA B 43 ILE HD11 1.0 1.8 4.31 1760 1293 B 43 ILE HG21 B 43 ILE HA 1.0 1.8 3.63 1761 1294 B 44 ARG H B 43 ILE HA 1.0 1.8 3.60 1762 1295 B 43 ILE HA B 57 ILE HG21 1.0 1.8 5.51 1763 1296 B 43 ILE HD11 B 43 ILE HB 1.0 1.8 3.47 1764 1297 B 57 ILE HG21 B 43 ILE HB 1.0 1.8 3.63 1765 1298 B 43 ILE HB B 57 ILE H 1.0 1.8 4.68 1766 1299 B 57 ILE HG21 B 43 ILE HD11 1.0 1.8 4.30 1767 1300 B 58 THR HA B 43 ILE HD11 1.0 1.8 6.05 1768 1301 B 43 ILE HD11 B 59 LEU HD21 1.0 1.8 4.83 1769 1302 B 64 PHE HD% B 43 ILE HD11 1.0 1.8 5.60 1770 1303 B 64 PHE HE% B 43 ILE HD11 1.0 1.8 4.49 1771 1304 B 67 MET HE1 B 43 ILE HD11 1.0 1.8 4.25 1772 1305 B 57 ILE HG21 B 43 ILE HG1y 1.0 1.8 3.81 1773 1305 B 43 ILE HG1x B 57 ILE HG21 1.0 1.8 3.81 1774 1306 B 57 ILE H B 43 ILE HG1y 1.0 1.8 5.59 1775 1306 B 43 ILE HG1x B 57 ILE H 1.0 1.8 5.59 1776 1307 B 43 ILE HG21 B 43 ILE HG1y 1.0 1.8 3.39 1777 1307 B 43 ILE HG21 B 43 ILE HG1x 1.0 1.8 3.39 1778 1308 B 43 ILE HG21 B 44 ARG H 1.0 1.8 4.05 1779 1309 B 43 ILE HG21 B 57 ILE H 1.0 1.8 6.05 1780 1310 B 64 PHE HE% B 43 ILE HG21 1.0 1.8 6.05 1781 1311 B 43 ILE H B 43 ILE HD11 1.0 1.8 4.40 1782 1312 B 43 ILE H B 43 ILE HG1y 1.0 1.8 4.72 1783 1313 B 43 ILE HG1x B 43 ILE H 1.0 1.8 4.72 1784 1314 B 43 ILE HG21 B 43 ILE H 1.0 1.8 4.37 1785 1315 B 43 ILE H B 57 ILE HG21 1.0 1.8 3.82 1786 1316 B 43 ILE H B 57 ILE H 1.0 1.8 4.33 1787 1317 B 43 ILE H B 58 THR HA 1.0 1.8 4.62 1788 1318 B 58 THR HG21 B 43 ILE H 1.0 1.8 5.29 1789 1319 B 59 LEU HD11 B 43 ILE H 1.0 1.8 5.35 1790 1320 B 43 ILE H B 59 LEU HG 1.0 1.8 5.61 1791 1321 B 59 LEU H B 43 ILE H 1.0 1.8 5.59 1792 1322 B 44 ARG HA B 45 ALA H 1.0 1.8 3.80 1793 1323 B 45 ALA H B 44 ARG HBx 1.0 1.8 3.80 1794 1323 B 45 ALA H B 44 ARG HBy 1.0 1.8 3.80 1795 1324 B 44 ARG H B 45 ALA H 1.0 1.8 5.40 1796 1325 B 46 TRP H B 45 ALA HA 1.0 1.8 3.90 1797 1326 B 45 ALA HB1 B 46 TRP H 1.0 1.8 3.69 1798 1327 B 45 ALA HB1 B 54 GLY HAx 1.0 1.8 4.30 1799 1327 B 45 ALA HB1 B 54 GLY HAy 1.0 1.8 4.30 1800 1328 B 45 ALA HB1 B 55 LYS H 1.0 1.8 6.05 1801 1329 B 45 ALA HB1 B 45 ALA H 1.0 1.8 3.42 1802 1330 B 46 TRP HA B 47 SER H 1.0 1.8 3.81 1803 1331 B 47 SER H B 46 TRP HBx 1.0 1.8 4.10 1804 1331 B 46 TRP HBy B 47 SER H 1.0 1.8 4.10 1805 1332 B 46 TRP H B 46 TRP HD1 1.0 1.8 5.05 1806 1333 B 46 TRP H B 47 SER H 1.0 1.8 5.47 1807 1334 B 49 ASP HA B 50 HIS H 1.0 1.8 3.80 1808 1335 B 50 HIS H B 49 ASP HBx 1.0 1.8 4.00 1809 1335 B 50 HIS H B 49 ASP HBy 1.0 1.8 4.00 1810 1336 B 50 HIS H B 49 ASP H 1.0 1.8 4.80 1811 1337 B 50 HIS HA B 50 HIS HD2 1.0 1.8 5.09 1812 1337 B 50 HIS HA B 50 HIS HD1 1.0 1.8 5.09 1813 1338 B 50 HIS HA B 51 THR H 1.0 1.8 3.80 1814 1339 B 50 HIS H B 51 THR H 1.0 1.8 4.46 1815 1340 B 51 THR HA B 51 THR HG21 1.0 1.8 3.61 1816 1341 B 51 THR HA B 52 LYS H 1.0 1.8 3.90 1817 1342 B 52 LYS H B 51 THR HB 1.0 1.8 5.08 1818 1343 B 51 THR HG21 B 52 LYS H 1.0 1.8 4.30 1819 1344 B 51 THR H B 51 THR HG21 1.0 1.8 4.00 1820 1345 B 51 THR H B 52 LYS H 1.0 1.8 5.00 1821 1346 B 52 LYS HA B 52 LYS HDy 1.0 1.8 4.47 1822 1346 B 52 LYS HDx B 52 LYS HA 1.0 1.8 4.47 1823 1347 B 52 LYS HA B 52 LYS HGx 1.0 1.8 3.78 1824 1347 B 52 LYS HGy B 52 LYS HA 1.0 1.8 3.78 1825 1348 B 53 MET H B 52 LYS HA 1.0 1.8 3.60 1826 1349 B 52 LYS HBy B 52 LYS HDy 1.0 1.8 3.45 1827 1349 B 52 LYS HBx B 52 LYS HDy 1.0 1.8 3.45 1828 1350 B 52 LYS HDx B 52 LYS HBy 1.0 1.8 3.45 1829 1350 B 52 LYS HDx B 52 LYS HBx 1.0 1.8 3.45 1830 1351 B 52 LYS HDx B 52 LYS HBy 1.0 1.8 3.52 1831 1351 B 52 LYS HBy B 52 LYS HDy 1.0 1.8 3.52 1832 1352 B 52 LYS HEy B 52 LYS HBy 1.0 1.8 5.47 1833 1352 B 52 LYS HBy B 52 LYS HEx 1.0 1.8 5.47 1834 1353 B 53 MET H B 52 LYS HBy 1.0 1.8 4.34 1835 1354 B 52 LYS HDx B 52 LYS HBx 1.0 1.8 3.52 1836 1354 B 52 LYS HBx B 52 LYS HDy 1.0 1.8 3.52 1837 1355 B 52 LYS HEy B 52 LYS HBx 1.0 1.8 5.47 1838 1355 B 52 LYS HBx B 52 LYS HEx 1.0 1.8 5.47 1839 1356 B 53 MET H B 52 LYS HBx 1.0 1.8 4.04 1840 1357 B 52 LYS HEy B 52 LYS HDy 1.0 1.8 3.31 1841 1357 B 52 LYS HDy B 52 LYS HEx 1.0 1.8 3.31 1842 1358 B 52 LYS HEy B 52 LYS HDx 1.0 1.8 3.31 1843 1358 B 52 LYS HDx B 52 LYS HEx 1.0 1.8 3.31 1844 1359 B 52 LYS HEx B 52 LYS HGx 1.0 1.8 3.11 1845 1359 B 52 LYS HEy B 52 LYS HGx 1.0 1.8 3.11 1846 1359 B 52 LYS HGy B 52 LYS HEx 1.0 1.8 3.11 1847 1359 B 52 LYS HEy B 52 LYS HGy 1.0 1.8 3.11 1848 1360 B 53 MET H B 52 LYS HGx 1.0 1.8 4.80 1849 1360 B 52 LYS HGy B 53 MET H 1.0 1.8 4.80 1850 1361 B 52 LYS H B 52 LYS HGx 1.0 1.8 4.21 1851 1361 B 52 LYS HGy B 52 LYS H 1.0 1.8 4.21 1852 1362 B 53 MET H B 52 LYS H 1.0 1.8 5.60 1853 1363 B 53 MET HA B 54 GLY H 1.0 1.8 3.60 1854 1364 B 53 MET HE1 B 53 MET HBy 1.0 1.8 3.72 1855 1364 B 53 MET HBx B 53 MET HE1 1.0 1.8 3.72 1856 1365 B 54 GLY H B 53 MET HBy 1.0 1.8 4.82 1857 1366 B 54 GLY H B 53 MET HBx 1.0 1.8 4.82 1858 1367 B 53 MET HE1 B 53 MET HGx 1.0 1.8 3.85 1859 1367 B 53 MET HE1 B 53 MET HGy 1.0 1.8 3.85 1860 1368 B 54 GLY H B 53 MET HGx 1.0 1.8 4.70 1861 1368 B 54 GLY H B 53 MET HGy 1.0 1.8 4.70 1862 1369 B 53 MET H B 53 MET HGx 1.0 1.8 4.10 1863 1369 B 53 MET H B 53 MET HGy 1.0 1.8 4.10 1864 1370 B 53 MET H B 54 GLY H 1.0 1.8 5.28 1865 1371 B 54 GLY HAy B 55 LYS H 1.0 1.8 3.75 1866 1372 B 55 LYS H B 54 GLY HAx 1.0 1.8 3.75 1867 1373 B 55 LYS H B 54 GLY H 1.0 1.8 5.24 1868 1374 B 55 LYS HA B 55 LYS HDx 1.0 1.8 4.47 1869 1374 B 55 LYS HA B 55 LYS HDy 1.0 1.8 4.47 1870 1375 B 55 LYS HA B 55 LYS HGy 1.0 1.8 3.47 1871 1375 B 55 LYS HA B 55 LYS HGx 1.0 1.8 3.47 1872 1376 B 55 LYS HA B 56 GLY H 1.0 1.8 3.63 1873 1377 B 55 LYS HBx B 55 LYS HDx 1.0 1.8 3.30 1874 1377 B 55 LYS HBy B 55 LYS HDx 1.0 1.8 3.30 1875 1377 B 55 LYS HDy B 55 LYS HBx 1.0 1.8 3.30 1876 1377 B 55 LYS HDy B 55 LYS HBy 1.0 1.8 3.30 1877 1378 B 55 LYS HBx B 55 LYS HEx 1.0 1.8 5.31 1878 1378 B 55 LYS HBy B 55 LYS HEx 1.0 1.8 5.31 1879 1378 B 55 LYS HEy B 55 LYS HBx 1.0 1.8 5.31 1880 1378 B 55 LYS HBy B 55 LYS HEy 1.0 1.8 5.31 1881 1379 B 56 GLY H B 55 LYS HBx 1.0 1.8 3.85 1882 1379 B 56 GLY H B 55 LYS HBy 1.0 1.8 3.85 1883 1380 B 56 GLY H B 55 LYS HGy 1.0 1.8 4.49 1884 1380 B 55 LYS HGx B 56 GLY H 1.0 1.8 4.49 1885 1381 B 55 LYS HEy B 55 LYS HGy 1.0 1.8 3.29 1886 1381 B 55 LYS HEx B 55 LYS HGy 1.0 1.8 3.29 1887 1382 B 55 LYS HGx B 55 LYS HEx 1.0 1.8 3.29 1888 1382 B 55 LYS HGx B 55 LYS HEy 1.0 1.8 3.29 1889 1383 B 55 LYS H B 55 LYS HBx 1.0 1.8 3.43 1890 1383 B 55 LYS H B 55 LYS HBy 1.0 1.8 3.43 1891 1384 B 55 LYS H B 55 LYS HDx 1.0 1.8 4.58 1892 1384 B 55 LYS H B 55 LYS HDy 1.0 1.8 4.58 1893 1385 B 55 LYS H B 55 LYS HGy 1.0 1.8 3.87 1894 1385 B 55 LYS H B 55 LYS HGx 1.0 1.8 3.87 1895 1386 B 55 LYS H B 56 GLY H 1.0 1.8 5.14 1896 1387 B 57 ILE H B 56 GLY HAx 1.0 1.8 3.50 1897 1387 B 57 ILE H B 56 GLY HAy 1.0 1.8 3.50 1898 1388 B 57 ILE H B 56 GLY H 1.0 1.8 4.97 1899 1389 B 57 ILE HA B 57 ILE HG1y 1.0 1.8 3.92 1900 1389 B 57 ILE HA B 57 ILE HG1x 1.0 1.8 3.92 1901 1390 B 57 ILE HA B 58 THR H 1.0 1.8 3.60 1902 1391 B 57 ILE HB B 57 ILE HD11 1.0 1.8 3.21 1903 1392 B 58 THR H B 57 ILE HB 1.0 1.8 4.47 1904 1393 B 58 THR H B 57 ILE HD11 1.0 1.8 4.33 1905 1394 B 58 THR H B 57 ILE HG1y 1.0 1.8 3.62 1906 1394 B 57 ILE HG1x B 58 THR H 1.0 1.8 3.62 1907 1395 B 57 ILE HG21 B 57 ILE HD11 1.0 1.8 4.02 1908 1396 B 57 ILE HG21 B 57 ILE HG1y 1.0 1.8 3.45 1909 1396 B 57 ILE HG21 B 57 ILE HG1x 1.0 1.8 3.45 1910 1397 B 57 ILE HG21 B 58 THR H 1.0 1.8 4.17 1911 1398 B 57 ILE H B 57 ILE HB 1.0 1.8 4.16 1912 1399 B 57 ILE H B 57 ILE HG1y 1.0 1.8 5.12 1913 1399 B 57 ILE H B 57 ILE HG1x 1.0 1.8 5.12 1914 1400 B 57 ILE HG21 B 57 ILE H 1.0 1.8 3.38 1915 1401 B 57 ILE H B 58 THR H 1.0 1.8 5.10 1916 1402 B 58 THR HG21 B 58 THR HA 1.0 1.8 3.72 1917 1403 B 59 LEU H B 58 THR HA 1.0 1.8 3.81 1918 1404 B 59 LEU H B 58 THR HB 1.0 1.8 4.60 1919 1405 B 58 THR HG21 B 59 LEU H 1.0 1.8 4.80 1920 1406 B 58 THR H B 58 THR HB 1.0 1.8 4.08 1921 1407 B 58 THR HG21 B 58 THR H 1.0 1.8 4.25 1922 1408 B 59 LEU H B 58 THR H 1.0 1.8 5.08 1923 1409 B 59 LEU HD11 B 59 LEU HA 1.0 1.8 4.30 1924 1410 B 59 LEU HD21 B 59 LEU HA 1.0 1.8 3.60 1925 1411 B 59 LEU HA B 60 SER H 1.0 1.8 3.48 1926 1412 B 59 LEU HD11 B 59 LEU HBx 1.0 1.8 3.21 1927 1412 B 59 LEU HD11 B 59 LEU HBy 1.0 1.8 3.21 1928 1413 B 59 LEU HD21 B 59 LEU HBx 1.0 1.8 3.19 1929 1413 B 59 LEU HD21 B 59 LEU HBy 1.0 1.8 3.19 1930 1414 B 59 LEU HD11 B 60 SER H 1.0 1.8 5.59 1931 1415 B 59 LEU HD21 B 60 SER H 1.0 1.8 4.70 1932 1416 B 59 LEU H B 59 LEU HD11 1.0 1.8 4.73 1933 1417 B 59 LEU H B 59 LEU HD21 1.0 1.8 4.85 1934 1418 B 59 LEU H B 59 LEU HG 1.0 1.8 4.22 1935 1419 B 60 SER HA B 61 ASN H 1.0 1.8 3.61 1936 1420 B 61 ASN H B 60 SER HBx 1.0 1.8 3.63 1937 1420 B 61 ASN H B 60 SER HBy 1.0 1.8 3.63 1938 1421 B 61 ASN HA B 62 GLU H 1.0 1.8 3.80 1939 1422 B 61 ASN HA B 64 PHE HBx 1.0 1.8 4.89 1940 1422 B 61 ASN HA B 64 PHE HBy 1.0 1.8 4.89 1941 1423 B 61 ASN HA B 65 GLN H 1.0 1.8 5.24 1942 1424 B 61 ASN HBx B 61 ASN HD2x 1.0 1.8 3.19 1943 1424 B 61 ASN HBy B 61 ASN HD2x 1.0 1.8 3.19 1944 1424 B 61 ASN HD2y B 61 ASN HBx 1.0 1.8 3.19 1945 1424 B 61 ASN HBy B 61 ASN HD2y 1.0 1.8 3.19 1946 1425 B 62 GLU H B 61 ASN HBx 1.0 1.8 3.52 1947 1425 B 62 GLU H B 61 ASN HBy 1.0 1.8 3.52 1948 1426 B 62 GLU H B 61 ASN HD2x 1.0 1.8 5.12 1949 1426 B 62 GLU H B 61 ASN HD2y 1.0 1.8 5.12 1950 1427 B 61 ASN H B 61 ASN HBx 1.0 1.8 3.66 1951 1427 B 61 ASN H B 61 ASN HBy 1.0 1.8 3.66 1952 1428 B 61 ASN H B 62 GLU H 1.0 1.8 3.87 1953 1429 B 62 GLU HA B 62 GLU HGy 1.0 1.8 4.35 1954 1430 B 62 GLU HA B 62 GLU HGx 1.0 1.8 4.35 1955 1431 B 62 GLU HA B 63 GLU H 1.0 1.8 3.80 1956 1432 B 62 GLU HA B 65 GLN HBy 1.0 1.8 4.25 1957 1432 B 62 GLU HA B 65 GLN HBx 1.0 1.8 4.25 1958 1433 B 65 GLN H B 62 GLU HA 1.0 1.8 4.85 1959 1434 B 62 GLU HA B 66 THR H 1.0 1.8 4.70 1960 1435 B 63 GLU H B 62 GLU HBx 1.0 1.8 4.23 1961 1435 B 63 GLU H B 62 GLU HBy 1.0 1.8 4.23 1962 1436 B 62 GLU HGy B 63 GLU H 1.0 1.8 5.14 1963 1437 B 62 GLU HGx B 63 GLU H 1.0 1.8 5.14 1964 1438 B 62 GLU H B 62 GLU HBx 1.0 1.8 3.31 1965 1438 B 62 GLU H B 62 GLU HBy 1.0 1.8 3.31 1966 1439 B 62 GLU H B 62 GLU HGy 1.0 1.8 4.66 1967 1440 B 62 GLU H B 62 GLU HGx 1.0 1.8 5.00 1968 1441 B 62 GLU H B 63 GLU H 1.0 1.8 3.99 1969 1442 B 63 GLU HA B 63 GLU HGx 1.0 1.8 4.00 1970 1442 B 63 GLU HA B 63 GLU HGy 1.0 1.8 4.00 1971 1443 B 63 GLU HA B 64 PHE H 1.0 1.8 3.80 1972 1444 B 63 GLU HA B 66 THR HB 1.0 1.8 4.55 1973 1445 B 63 GLU HA B 66 THR HG21 1.0 1.8 4.82 1974 1446 B 66 THR H B 63 GLU HA 1.0 1.8 4.49 1975 1447 B 63 GLU HA B 67 MET H 1.0 1.8 5.38 1976 1448 B 64 PHE H B 63 GLU HBx 1.0 1.8 3.82 1977 1448 B 64 PHE H B 63 GLU HBy 1.0 1.8 3.82 1978 1449 B 64 PHE H B 63 GLU HGx 1.0 1.8 5.04 1979 1449 B 63 GLU HGy B 64 PHE H 1.0 1.8 5.04 1980 1450 B 63 GLU H B 64 PHE HBx 1.0 1.8 4.76 1981 1450 B 64 PHE HBy B 63 GLU H 1.0 1.8 4.76 1982 1451 B 63 GLU H B 64 PHE H 1.0 1.8 4.27 1983 1452 B 64 PHE HD% B 64 PHE HA 1.0 1.8 4.15 1984 1453 B 64 PHE HE% B 64 PHE HA 1.0 1.8 5.16 1985 1454 B 64 PHE HA B 65 GLN H 1.0 1.8 3.80 1986 1455 B 67 MET HE1 B 64 PHE HA 1.0 1.8 3.80 1987 1456 B 64 PHE HA B 67 MET HBx 1.0 1.8 4.30 1988 1456 B 64 PHE HA B 67 MET HBy 1.0 1.8 4.30 1989 1457 B 64 PHE HA B 67 MET H 1.0 1.8 4.85 1990 1458 B 64 PHE HA B 68 VAL H 1.0 1.8 5.22 1991 1459 B 65 GLN H B 64 PHE HBx 1.0 1.8 3.98 1992 1459 B 64 PHE HBy B 65 GLN H 1.0 1.8 3.98 1993 1460 B 64 PHE HZ B 64 PHE HD% 1.0 1.8 4.40 1994 1461 B 64 PHE HD% B 65 GLN H 1.0 1.8 5.24 1995 1462 B 64 PHE HD% B 67 MET HE1 1.0 1.8 3.13 1996 1463 B 64 PHE HD% B 68 VAL HG21 1.0 1.8 4.70 1997 1464 B 64 PHE HE% B 67 MET HE1 1.0 1.8 3.17 1998 1465 B 64 PHE H B 64 PHE HBx 1.0 1.8 3.76 1999 1465 B 64 PHE HBy B 64 PHE H 1.0 1.8 3.76 2000 1466 B 64 PHE HD% B 64 PHE H 1.0 1.8 5.02 2001 1467 B 65 GLN H B 64 PHE H 1.0 1.8 4.00 2002 1468 B 65 GLN HA B 65 GLN HE2x 1.0 1.8 4.82 2003 1469 B 65 GLN HA B 65 GLN HE2y 1.0 1.8 4.86 2004 1470 B 65 GLN HA B 65 GLN HGy 1.0 1.8 4.18 2005 1471 B 65 GLN HA B 65 GLN HGx 1.0 1.8 4.18 2006 1472 B 66 THR H B 65 GLN HA 1.0 1.8 3.60 2007 1473 B 65 GLN HA B 68 VAL HB 1.0 1.8 4.06 2008 1474 B 65 GLN HA B 68 VAL HG11 1.0 1.8 4.23 2009 1475 B 68 VAL HG21 B 65 GLN HA 1.0 1.8 3.73 2010 1476 B 68 VAL H B 65 GLN HA 1.0 1.8 4.30 2011 1477 B 65 GLN HA B 69 ASP H 1.0 1.8 4.77 2012 1478 B 65 GLN HE2x B 65 GLN HBy 1.0 1.8 4.79 2013 1478 B 65 GLN HBx B 65 GLN HE2x 1.0 1.8 4.79 2014 1479 B 66 THR H B 65 GLN HBy 1.0 1.8 3.76 2015 1479 B 65 GLN HBx B 66 THR H 1.0 1.8 3.76 2016 1480 B 65 GLN HE2x B 68 VAL HB 1.0 1.8 4.75 2017 1481 B 65 GLN HE2x B 68 VAL HG11 1.0 1.8 5.13 2018 1482 B 65 GLN HE2y B 68 VAL HB 1.0 1.8 4.94 2019 1483 B 65 GLN HE2y B 68 VAL HG11 1.0 1.8 4.27 2020 1484 B 65 GLN HE2x B 65 GLN HGy 1.0 1.8 3.55 2021 1485 B 66 THR H B 65 GLN HGy 1.0 1.8 5.42 2022 1486 B 65 GLN HE2x B 65 GLN HGx 1.0 1.8 3.55 2023 1487 B 66 THR H B 65 GLN HGx 1.0 1.8 5.42 2024 1488 B 65 GLN H B 65 GLN HBy 1.0 1.8 3.63 2025 1489 B 65 GLN H B 65 GLN HBx 1.0 1.8 3.63 2026 1490 B 65 GLN H B 65 GLN HGy 1.0 1.8 4.88 2027 1490 B 65 GLN H B 65 GLN HGx 1.0 1.8 4.88 2028 1491 B 65 GLN H B 66 THR H 1.0 1.8 3.72 2029 1492 B 66 THR HG21 B 66 THR HA 1.0 1.8 3.31 2030 1493 B 67 MET H B 66 THR HA 1.0 1.8 3.60 2031 1494 B 66 THR HA B 69 ASP HBy 1.0 1.8 4.60 2032 1494 B 66 THR HA B 69 ASP HBx 1.0 1.8 4.60 2033 1495 B 69 ASP H B 66 THR HA 1.0 1.8 4.52 2034 1496 B 66 THR HA B 70 ALA H 1.0 1.8 4.80 2035 1497 B 66 THR HB B 67 MET H 1.0 1.8 4.33 2036 1498 B 66 THR HG21 B 67 MET H 1.0 1.8 3.94 2037 1499 B 66 THR H B 66 THR HB 1.0 1.8 3.73 2038 1500 B 66 THR H B 66 THR HG21 1.0 1.8 4.15 2039 1501 B 66 THR H B 67 MET H 1.0 1.8 3.76 2040 1502 B 68 VAL H B 67 MET HA 1.0 1.8 3.60 2041 1503 B 67 MET HA B 70 ALA HB1 1.0 1.8 3.77 2042 1504 B 70 ALA H B 67 MET HA 1.0 1.8 4.26 2043 1505 B 67 MET HA B 71 PHE H 1.0 1.8 4.28 2044 1506 B 68 VAL H B 67 MET HBx 1.0 1.8 4.49 2045 1506 B 67 MET HBy B 68 VAL H 1.0 1.8 4.49 2046 1507 B 67 MET HE1 B 68 VAL HG21 1.0 1.8 3.40 2047 1508 B 67 MET HE1 B 68 VAL H 1.0 1.8 4.18 2048 1509 B 68 VAL H B 67 MET HGy 1.0 1.8 5.15 2049 1510 B 68 VAL H B 67 MET HGx 1.0 1.8 5.15 2050 1511 B 67 MET H B 67 MET HBx 1.0 1.8 3.78 2051 1511 B 67 MET H B 67 MET HBy 1.0 1.8 3.78 2052 1512 B 67 MET H B 67 MET HGy 1.0 1.8 4.83 2053 1513 B 67 MET H B 67 MET HGx 1.0 1.8 4.83 2054 1514 B 67 MET H B 68 VAL H 1.0 1.8 3.85 2055 1515 B 68 VAL HG11 B 68 VAL HA 1.0 1.8 3.28 2056 1516 B 68 VAL HG21 B 68 VAL HA 1.0 1.8 3.30 2057 1517 B 69 ASP H B 68 VAL HA 1.0 1.8 3.60 2058 1518 B 68 VAL HA B 71 PHE HBy 1.0 1.8 4.74 2059 1518 B 68 VAL HA B 71 PHE HBx 1.0 1.8 4.74 2060 1519 B 71 PHE H B 68 VAL HA 1.0 1.8 4.51 2061 1520 B 68 VAL HA B 72 LYS H 1.0 1.8 5.17 2062 1521 B 68 VAL HB B 69 ASP H 1.0 1.8 3.64 2063 1522 B 68 VAL HG11 B 69 ASP H 1.0 1.8 3.78 2064 1523 B 68 VAL HG21 B 69 ASP H 1.0 1.8 4.25 2065 1524 B 68 VAL H B 68 VAL HB 1.0 1.8 3.69 2066 1525 B 68 VAL H B 68 VAL HG11 1.0 1.8 4.30 2067 1526 B 68 VAL H B 68 VAL HG21 1.0 1.8 3.21 2068 1527 B 68 VAL H B 69 ASP H 1.0 1.8 3.61 2069 1528 B 70 ALA H B 69 ASP HA 1.0 1.8 3.80 2070 1529 B 69 ASP HA B 72 LYS HBx 1.0 1.8 4.20 2071 1529 B 69 ASP HA B 72 LYS HBy 1.0 1.8 4.20 2072 1530 B 72 LYS H B 69 ASP HA 1.0 1.8 4.71 2073 1531 B 70 ALA H B 69 ASP HBy 1.0 1.8 4.30 2074 1532 B 69 ASP HBx B 70 ALA H 1.0 1.8 3.95 2075 1533 B 69 ASP H B 69 ASP HBy 1.0 1.8 3.13 2076 1533 B 69 ASP H B 69 ASP HBx 1.0 1.8 3.13 2077 1534 B 69 ASP H B 70 ALA H 1.0 1.8 3.44 2078 1535 B 71 PHE H B 70 ALA HA 1.0 1.8 3.80 2079 1536 B 70 ALA HA B 73 GLY H 1.0 1.8 4.40 2080 1537 B 70 ALA HB1 B 71 PHE H 1.0 1.8 3.28 2081 1538 B 70 ALA HB1 B 73 GLY H 1.0 1.8 5.07 2082 1539 B 70 ALA H B 70 ALA HB1 1.0 1.8 3.30 2083 1540 B 70 ALA H B 71 PHE H 1.0 1.8 3.26 2084 1541 B 71 PHE HA B 71 PHE HD% 1.0 1.8 3.50 2085 1542 B 72 LYS H B 71 PHE HA 1.0 1.8 3.60 2086 1543 B 71 PHE HA B 75 LEU HBx 1.0 1.8 4.99 2087 1543 B 71 PHE HA B 75 LEU HBy 1.0 1.8 4.99 2088 1544 B 72 LYS H B 71 PHE HBy 1.0 1.8 4.37 2089 1545 B 71 PHE HBx B 72 LYS H 1.0 1.8 4.37 2090 1546 B 72 LYS H B 71 PHE HD% 1.0 1.8 4.85 2091 1547 B 71 PHE HD% B 75 LEU HBx 1.0 1.8 4.88 2092 1547 B 71 PHE HD% B 75 LEU HBy 1.0 1.8 4.88 2093 1548 B 71 PHE H B 71 PHE HD% 1.0 1.8 3.76 2094 1549 B 71 PHE H B 72 LYS H 1.0 1.8 3.47 2095 1550 B 72 LYS HA B 72 LYS HGy 1.0 1.8 4.48 2096 1551 B 72 LYS HA B 72 LYS HGx 1.0 1.8 4.48 2097 1552 B 73 GLY H B 72 LYS HA 1.0 1.8 3.86 2098 1553 B 72 LYS HBx B 72 LYS HDx 1.0 1.8 3.27 2099 1553 B 72 LYS HBy B 72 LYS HDx 1.0 1.8 3.27 2100 1553 B 72 LYS HDy B 72 LYS HBx 1.0 1.8 3.27 2101 1553 B 72 LYS HBy B 72 LYS HDy 1.0 1.8 3.27 2102 1554 B 72 LYS HBy B 72 LYS HEx 1.0 1.8 5.07 2103 1554 B 72 LYS HEy B 72 LYS HBx 1.0 1.8 5.07 2104 1554 B 72 LYS HBy B 72 LYS HEy 1.0 1.8 5.07 2105 1554 B 72 LYS HBx B 72 LYS HEx 1.0 1.8 5.07 2106 1555 B 73 GLY H B 72 LYS HBx 1.0 1.8 4.39 2107 1555 B 72 LYS HBy B 73 GLY H 1.0 1.8 4.39 2108 1556 B 73 GLY H B 72 LYS HDx 1.0 1.8 5.06 2109 1556 B 73 GLY H B 72 LYS HDy 1.0 1.8 5.06 2110 1557 B 72 LYS HEy B 72 LYS HGy 1.0 1.8 3.77 2111 1557 B 72 LYS HEx B 72 LYS HGy 1.0 1.8 3.77 2112 1558 B 73 GLY H B 72 LYS HGy 1.0 1.8 5.00 2113 1559 B 72 LYS HEy B 72 LYS HGx 1.0 1.8 3.77 2114 1559 B 72 LYS HGx B 72 LYS HEx 1.0 1.8 3.77 2115 1560 B 73 GLY H B 72 LYS HGx 1.0 1.8 4.23 2116 1561 B 72 LYS H B 72 LYS HBx 1.0 1.8 3.38 2117 1561 B 72 LYS H B 72 LYS HBy 1.0 1.8 3.38 2118 1562 B 72 LYS H B 72 LYS HDx 1.0 1.8 5.06 2119 1562 B 72 LYS H B 72 LYS HDy 1.0 1.8 5.06 2120 1563 B 72 LYS H B 73 GLY H 1.0 1.8 3.15 2121 1564 B 74 ASN H B 73 GLY HAx 1.0 1.8 3.30 2122 1564 B 73 GLY HAy B 74 ASN H 1.0 1.8 3.30 2123 1565 B 73 GLY H B 74 ASN H 1.0 1.8 3.60 2124 1566 B 74 ASN HA B 75 LEU H 1.0 1.8 3.60 2125 1567 B 75 LEU H B 74 ASN HBy 1.0 1.8 4.48 2126 1568 B 75 LEU H B 74 ASN HBx 1.0 1.8 4.48 2127 1569 B 75 LEU HA B 75 LEU HD11 1.0 1.8 3.73 2128 1570 B 75 LEU HA B 75 LEU HD21 1.0 1.8 3.90 2129 1571 B 75 LEU HD11 B 75 LEU HBx 1.0 1.8 3.30 2130 1571 B 75 LEU HBy B 75 LEU HD11 1.0 1.8 3.30 2131 1572 B 75 LEU HD21 B 75 LEU HBx 1.0 1.8 3.30 2132 1572 B 75 LEU HBy B 75 LEU HD21 1.0 1.8 3.30 2133 1573 B 75 LEU HD21 B 76 GLU H 1.0 1.8 5.60 2134 1574 B 75 LEU H B 75 LEU HBx 1.0 1.8 3.30 2135 1574 B 75 LEU HBy B 75 LEU H 1.0 1.8 3.30 2136 1575 B 75 LEU H B 75 LEU HD11 1.0 1.8 4.45 2137 1576 B 76 GLU HA B 77 HIS H 1.0 1.8 3.60 2138 1577 B 77 HIS H B 76 GLU HBx 1.0 1.8 4.30 2139 1577 B 77 HIS H B 76 GLU HBy 1.0 1.8 4.30 2140 1578 B 77 HIS H B 76 GLU HGx 1.0 1.8 4.80 2141 1578 B 77 HIS H B 76 GLU HGy 1.0 1.8 4.80 2142 1579 B 76 GLU H B 76 GLU HBx 1.0 1.8 3.80 2143 1579 B 76 GLU H B 76 GLU HBy 1.0 1.8 3.80 2144 1580 B 76 GLU H B 76 GLU HGx 1.0 1.8 4.60 2145 1580 B 76 GLU H B 76 GLU HGy 1.0 1.8 4.60 2146 1581 B 77 HIS HA B 78 HIS H 1.0 1.8 3.54 2147 1582 B 77 HIS HD1 B 77 HIS HBx 1.0 1.8 3.60 2148 1582 B 77 HIS HD2 B 77 HIS HBx 1.0 1.8 3.60 2149 1582 B 77 HIS HBy B 77 HIS HD2 1.0 1.8 3.60 2150 1582 B 77 HIS HBy B 77 HIS HD1 1.0 1.8 3.60 2151 1583 B 78 HIS H B 77 HIS HBx 1.0 1.8 4.28 2152 1583 B 78 HIS H B 77 HIS HBy 1.0 1.8 4.28 2153 1584 B 77 HIS H B 77 HIS HBx 1.0 1.8 3.23 2154 1584 B 77 HIS H B 77 HIS HBy 1.0 1.8 3.23 2155 1585 B 78 HIS HA B 79 HIS H 1.0 1.8 3.60 2156 1586 B 79 HIS H B 78 HIS HBx 1.0 1.8 4.25 2157 1586 B 79 HIS H B 78 HIS HBy 1.0 1.8 4.25 2158 1587 B 78 HIS H B 78 HIS HBx 1.0 1.8 3.30 2159 1587 B 78 HIS H B 78 HIS HBy 1.0 1.8 3.30 2160 1588 B 79 HIS HA B 80 HIS H 1.0 1.8 3.60 2161 1589 B 80 HIS H B 79 HIS HBx 1.0 1.8 4.26 2162 1589 B 80 HIS H B 79 HIS HBy 1.0 1.8 4.26 2163 1590 B 79 HIS H B 79 HIS HBx 1.0 1.8 3.84 2164 1590 B 79 HIS H B 79 HIS HBy 1.0 1.8 3.84 2165 1591 B 80 HIS HA B 81 HIS H 1.0 1.8 3.60 2166 1592 B 80 HIS H B 80 HIS HBx 1.0 1.8 3.87 2167 1592 B 80 HIS H B 80 HIS HBy 1.0 1.8 3.87 2168 1593 B 81 HIS HA B 82 HIS H 1.0 1.8 3.60 2169 1594 B 82 HIS H B 81 HIS HBx 1.0 1.8 4.10 2170 1594 B 82 HIS H B 81 HIS HBy 1.0 1.8 4.10 2171 1595 B 81 HIS H B 81 HIS HBx 1.0 1.8 3.29 2172 1595 B 81 HIS H B 81 HIS HBy 1.0 1.8 3.29 2173 1596 B 82 HIS H B 82 HIS HBx 1.0 1.8 3.40 2174 1596 B 82 HIS H B 82 HIS HBy 1.0 1.8 3.40 2175 1597 B 71 PHE HD% A 15 LEU HBx 1.0 1.8 4.98 2176 1597 A 15 LEU HBy B 71 PHE HD% 1.0 1.8 4.98 2177 1598 A 15 LEU HDx% B 71 PHE HE% 1.0 1.8 3.37 2178 1599 A 15 LEU HDx% B 71 PHE HZ 1.0 1.8 4.77 2179 1600 A 15 LEU HDy% B 71 PHE HD% 1.0 1.8 5.60 2180 1601 A 15 LEU HDy% B 71 PHE HE% 1.0 1.8 3.94 2181 1602 B 70 ALA HB1 A 16 LEU HBx 1.0 1.8 4.39 2182 1602 A 16 LEU HBy B 70 ALA HB1 1.0 1.8 4.39 2183 1603 A 16 LEU HDx% B 66 THR HG21 1.0 1.8 3.49 2184 1604 A 16 LEU HDx% B 67 MET HA 1.0 1.8 4.26 2185 1605 A 16 LEU HDx% B 67 MET H 1.0 1.8 4.63 2186 1606 A 16 LEU HDx% B 70 ALA HA 1.0 1.8 5.06 2187 1607 A 16 LEU HDx% B 70 ALA HB1 1.0 1.8 3.07 2188 1608 A 16 LEU HDx% B 70 ALA H 1.0 1.8 4.72 2189 1609 A 16 LEU HDx% B 71 PHE HE% 1.0 1.8 4.98 2190 1610 A 16 LEU HDx% B 71 PHE H 1.0 1.8 4.68 2191 1611 A 16 LEU HDx% B 71 PHE HZ 1.0 1.8 5.48 2192 1612 A 16 LEU HDy% B 66 THR HG21 1.0 1.8 4.89 2193 1613 A 16 LEU HDy% B 67 MET HA 1.0 1.8 3.90 2194 1614 A 16 LEU HDy% B 67 MET H 1.0 1.8 5.80 2195 1615 A 16 LEU HDy% B 70 ALA HA 1.0 1.8 5.33 2196 1616 A 16 LEU HDy% B 70 ALA HB1 1.0 1.8 3.13 2197 1617 A 16 LEU HDy% B 70 ALA H 1.0 1.8 4.70 2198 1618 A 16 LEU HDy% B 71 PHE HE% 1.0 1.8 5.03 2199 1619 A 16 LEU HDy% B 71 PHE H 1.0 1.8 5.16 2200 1620 B 71 PHE HE% A 16 LEU HG 1.0 1.8 4.86 2201 1621 A 18 LEU HA B 66 THR HG21 1.0 1.8 3.49 2202 1622 B 63 GLU HA A 18 LEU HBx 1.0 1.8 5.04 2203 1622 A 18 LEU HBy B 63 GLU HA 1.0 1.8 5.04 2204 1623 A 18 LEU HDx% B 63 GLU HA 1.0 1.8 4.70 2205 1624 A 18 LEU HDx% B 63 GLU HBx 1.0 1.8 3.88 2206 1624 A 18 LEU HDx% B 63 GLU HBy 1.0 1.8 3.88 2207 1625 A 18 LEU HDx% B 64 PHE HA 1.0 1.8 5.41 2208 1626 A 18 LEU HDx% B 66 THR HG21 1.0 1.8 4.75 2209 1627 A 18 LEU HDx% B 67 MET HE1 1.0 1.8 5.10 2210 1628 A 18 LEU HDx% B 67 MET HGy 1.0 1.8 5.53 2211 1629 A 18 LEU HDx% B 67 MET HGx 1.0 1.8 5.53 2212 1630 A 18 LEU HDx% B 67 MET H 1.0 1.8 5.31 2213 1631 A 18 LEU HDy% B 63 GLU HA 1.0 1.8 4.82 2214 1632 A 18 LEU HDy% B 64 PHE HA 1.0 1.8 6.05 2215 1633 A 18 LEU HDy% B 66 THR HA 1.0 1.8 5.73 2216 1634 A 18 LEU HDy% B 66 THR HB 1.0 1.8 3.73 2217 1635 A 18 LEU HDy% B 66 THR HG21 1.0 1.8 3.12 2218 1636 A 18 LEU HDy% B 66 THR H 1.0 1.8 5.48 2219 1637 A 18 LEU HDy% B 67 MET HA 1.0 1.8 3.81 2220 1638 A 18 LEU HDy% B 67 MET HBx 1.0 1.8 4.47 2221 1638 A 18 LEU HDy% B 67 MET HBy 1.0 1.8 4.47 2222 1639 A 18 LEU HDy% B 67 MET HGy 1.0 1.8 5.17 2223 1640 A 18 LEU HDy% B 67 MET HGx 1.0 1.8 5.17 2224 1641 A 18 LEU HDy% B 67 MET H 1.0 1.8 3.67 2225 1642 A 18 LEU HDy% B 68 VAL H 1.0 1.8 5.52 2226 1643 A 18 LEU HG B 66 THR HG21 1.0 1.8 5.36 2227 1644 A 27 LYS HA B 57 ILE HD11 1.0 1.8 5.63 2228 1645 B 57 ILE HD11 A 27 LYS HDx 1.0 1.8 3.23 2229 1645 A 27 LYS HDy B 57 ILE HD11 1.0 1.8 3.23 2230 1646 A 27 LYS HDy B 57 ILE HG1y 1.0 1.8 3.81 2231 1646 B 57 ILE HG1x A 27 LYS HDx 1.0 1.8 3.81 2232 1646 A 27 LYS HDy B 57 ILE HG1x 1.0 1.8 3.81 2233 1646 A 27 LYS HDx B 57 ILE HG1y 1.0 1.8 3.81 2234 1647 B 57 ILE HD11 A 27 LYS HEx 1.0 1.8 3.84 2235 1647 A 27 LYS HEy B 57 ILE HD11 1.0 1.8 3.84 2236 1648 B 59 LEU HA A 27 LYS HEx 1.0 1.8 5.25 2237 1648 A 27 LYS HEy B 59 LEU HA 1.0 1.8 5.25 2238 1649 B 59 LEU HD21 A 27 LYS HEx 1.0 1.8 3.81 2239 1649 A 27 LYS HEy B 59 LEU HD21 1.0 1.8 3.81 2240 1650 B 57 ILE HD11 A 27 LYS HGx 1.0 1.8 4.25 2241 1650 A 27 LYS HGy B 57 ILE HD11 1.0 1.8 4.25 2242 1651 B 57 ILE HG21 A 27 LYS HGx 1.0 1.8 5.87 2243 1651 A 27 LYS HGy B 57 ILE HG21 1.0 1.8 5.87 2244 1652 B 59 LEU HD11 A 27 LYS HGx 1.0 1.8 5.87 2245 1652 A 27 LYS HGy B 59 LEU HD11 1.0 1.8 5.87 2246 1653 B 59 LEU HD21 A 27 LYS HGx 1.0 1.8 5.85 2247 1653 A 27 LYS HGy B 59 LEU HD21 1.0 1.8 5.85 2248 1654 A 29 ILE HD1% B 67 MET HA 1.0 1.8 4.41 2249 1655 A 29 ILE HD1% B 67 MET HBx 1.0 1.8 5.03 2250 1655 A 29 ILE HD1% B 67 MET HBy 1.0 1.8 5.03 2251 1656 A 29 ILE HD1% B 67 MET HGy 1.0 1.8 5.50 2252 1657 A 29 ILE HD1% B 67 MET HGx 1.0 1.8 5.50 2253 1658 A 29 ILE HD1% B 71 PHE HD% 1.0 1.8 4.95 2254 1659 A 29 ILE HD1% B 71 PHE HE% 1.0 1.8 3.88 2255 1660 A 29 ILE HD1% B 71 PHE HZ 1.0 1.8 3.93 2256 1661 A 29 ILE HG2% B 71 PHE HE% 1.0 1.8 4.11 2257 1662 A 29 ILE HG2% B 71 PHE HZ 1.0 1.8 4.70 2258 1663 A 41 PHE HD% B 75 LEU HD21 1.0 1.8 5.00 2259 1664 A 43 ILE HB B 57 ILE HD11 1.0 1.8 4.69 2260 1665 A 44 ARG HA B 57 ILE HD11 1.0 1.8 3.59 2261 1666 A 45 ALA HB% B 57 ILE HD11 1.0 1.8 4.39 2262 1667 A 45 ALA H B 57 ILE HD11 1.0 1.8 4.88 2263 1668 B 57 ILE HD11 A 55 LYS HBy 1.0 1.8 4.76 2264 1668 A 55 LYS HBx B 57 ILE HD11 1.0 1.8 4.76 2265 1669 A 56 GLY HAy B 57 ILE HG1y 1.0 1.8 6.05 2266 1669 A 56 GLY HAx B 57 ILE HG1y 1.0 1.8 6.05 2267 1670 B 57 ILE HG1x A 56 GLY HAy 1.0 1.8 6.05 2268 1670 A 56 GLY HAx B 57 ILE HG1x 1.0 1.8 6.05 2269 1671 B 57 ILE HG21 A 56 GLY HAy 1.0 1.8 5.10 2270 1671 A 56 GLY HAx B 57 ILE HG21 1.0 1.8 5.10 2271 1672 A 56 GLY HAx B 57 ILE HB 1.0 1.8 6.05 2272 1673 A 56 GLY HAx B 57 ILE HD11 1.0 1.8 4.65 2273 1674 B 57 ILE HB A 56 GLY HAy 1.0 1.8 6.05 2274 1675 B 57 ILE HD11 A 56 GLY HAy 1.0 1.8 4.65 2275 1676 A 56 GLY H B 57 ILE HB 1.0 1.8 6.05 2276 1677 A 56 GLY H B 57 ILE HD11 1.0 1.8 4.86 2277 1678 A 57 ILE HB B 56 GLY HAy 1.0 1.8 6.05 2278 1679 A 57 ILE HB B 56 GLY HAx 1.0 1.8 6.05 2279 1680 A 57 ILE HB B 56 GLY H 1.0 1.8 6.05 2280 1681 A 57 ILE HD1% B 27 LYS HA 1.0 1.8 5.63 2281 1682 A 57 ILE HD1% B 27 LYS HDx 1.0 1.8 3.23 2282 1682 A 57 ILE HD1% B 27 LYS HDy 1.0 1.8 3.23 2283 1683 A 57 ILE HD1% B 27 LYS HEx 1.0 1.8 3.84 2284 1683 A 57 ILE HD1% B 27 LYS HEy 1.0 1.8 3.84 2285 1684 A 57 ILE HD1% B 27 LYS HGy 1.0 1.8 4.25 2286 1684 A 57 ILE HD1% B 27 LYS HGx 1.0 1.8 4.25 2287 1685 A 57 ILE HD1% B 43 ILE HB 1.0 1.8 4.69 2288 1686 A 57 ILE HD1% B 44 ARG HA 1.0 1.8 3.59 2289 1687 A 57 ILE HD1% B 45 ALA HB1 1.0 1.8 4.39 2290 1688 A 57 ILE HD1% B 45 ALA H 1.0 1.8 4.88 2291 1689 A 57 ILE HD1% B 55 LYS HBx 1.0 1.8 4.76 2292 1689 A 57 ILE HD1% B 55 LYS HBy 1.0 1.8 4.76 2293 1690 A 57 ILE HD1% B 56 GLY HAy 1.0 1.8 4.65 2294 1691 A 57 ILE HD1% B 56 GLY HAx 1.0 1.8 4.65 2295 1692 A 57 ILE HD1% B 56 GLY H 1.0 1.8 4.86 2296 1693 A 57 ILE HD1% B 57 ILE H 1.0 1.8 6.05 2297 1694 A 57 ILE HG1y B 27 LYS HDx 1.0 1.8 3.81 2298 1694 A 57 ILE HG1x B 27 LYS HDx 1.0 1.8 3.81 2299 1694 B 27 LYS HDy A 57 ILE HG1x 1.0 1.8 3.81 2300 1694 A 57 ILE HG1y B 27 LYS HDy 1.0 1.8 3.81 2301 1695 B 56 GLY HAy A 57 ILE HG1x 1.0 1.8 6.05 2302 1695 A 57 ILE HG1x B 56 GLY HAx 1.0 1.8 6.05 2303 1696 A 57 ILE HG1y B 56 GLY HAy 1.0 1.8 6.05 2304 1696 A 57 ILE HG1y B 56 GLY HAx 1.0 1.8 6.05 2305 1697 A 57 ILE HG2% B 27 LYS HGy 1.0 1.8 5.87 2306 1697 A 57 ILE HG2% B 27 LYS HGx 1.0 1.8 5.87 2307 1698 A 57 ILE HG2% B 56 GLY HAx 1.0 1.8 5.10 2308 1698 A 57 ILE HG2% B 56 GLY HAy 1.0 1.8 5.10 2309 1699 A 57 ILE H B 57 ILE HD11 1.0 1.8 6.05 2310 1700 A 59 LEU HA B 27 LYS HEx 1.0 1.8 5.25 2311 1700 A 59 LEU HA B 27 LYS HEy 1.0 1.8 5.25 2312 1701 A 59 LEU HDx% B 27 LYS HGy 1.0 1.8 5.87 2313 1701 A 59 LEU HDx% B 27 LYS HGx 1.0 1.8 5.87 2314 1702 A 59 LEU HDy% B 27 LYS HEx 1.0 1.8 3.81 2315 1702 A 59 LEU HDy% B 27 LYS HEy 1.0 1.8 3.81 2316 1703 A 59 LEU HDy% B 27 LYS HGy 1.0 1.8 5.85 2317 1703 A 59 LEU HDy% B 27 LYS HGx 1.0 1.8 5.85 2318 1704 A 61 ASN HA B 75 LEU HD21 1.0 1.8 5.57 2319 1705 A 63 GLU HA B 18 LEU HBy 1.0 1.8 4.93 2320 1705 A 63 GLU HA B 18 LEU HBx 1.0 1.8 4.93 2321 1706 A 63 GLU HA B 18 LEU HD11 1.0 1.8 4.70 2322 1707 A 63 GLU HA B 18 LEU HD21 1.0 1.8 4.82 2323 1708 B 18 LEU HD11 A 63 GLU HBx 1.0 1.8 3.88 2324 1708 A 63 GLU HBy B 18 LEU HD11 1.0 1.8 3.88 2325 1709 A 64 PHE HA B 18 LEU HD11 1.0 1.8 5.41 2326 1710 A 64 PHE HA B 18 LEU HD21 1.0 1.8 6.05 2327 1711 A 64 PHE HA B 75 LEU HD21 1.0 1.8 5.04 2328 1712 A 64 PHE HE% B 71 PHE HZ 1.0 1.8 4.22 2329 1713 A 64 PHE H B 75 LEU HD21 1.0 1.8 5.83 2330 1714 A 64 PHE HZ B 71 PHE HE% 1.0 1.8 3.89 2331 1715 A 65 GLN HA B 75 LEU HD11 1.0 1.8 4.57 2332 1716 A 65 GLN HE2x B 76 GLU HBx 1.0 1.8 5.58 2333 1716 A 65 GLN HE2x B 76 GLU HBy 1.0 1.8 5.58 2334 1717 A 65 GLN HE2x B 77 HIS H 1.0 1.8 5.57 2335 1718 A 65 GLN H B 75 LEU HD21 1.0 1.8 3.84 2336 1719 A 66 THR HA B 18 LEU HD21 1.0 1.8 5.73 2337 1720 A 66 THR HB B 18 LEU HD21 1.0 1.8 3.73 2338 1721 A 66 THR HG2% B 16 LEU HD11 1.0 1.8 3.49 2339 1722 A 66 THR HG2% B 16 LEU HD21 1.0 1.8 4.89 2340 1723 A 66 THR HG2% B 18 LEU HA 1.0 1.8 3.49 2341 1724 A 66 THR HG2% B 18 LEU HD11 1.0 1.8 4.75 2342 1725 A 66 THR HG2% B 18 LEU HD21 1.0 1.8 3.12 2343 1726 A 66 THR HG2% B 18 LEU HG 1.0 1.8 5.36 2344 1727 A 66 THR H B 18 LEU HD21 1.0 1.8 5.48 2345 1728 A 67 MET HA B 16 LEU HD11 1.0 1.8 4.26 2346 1729 A 67 MET HA B 16 LEU HD21 1.0 1.8 3.90 2347 1730 A 67 MET HA B 18 LEU HD21 1.0 1.8 3.81 2348 1731 A 67 MET HA B 29 ILE HD11 1.0 1.8 4.41 2349 1732 B 18 LEU HD21 A 67 MET HBx 1.0 1.8 4.47 2350 1732 A 67 MET HBy B 18 LEU HD21 1.0 1.8 4.47 2351 1733 B 29 ILE HD11 A 67 MET HBx 1.0 1.8 5.03 2352 1733 A 67 MET HBy B 29 ILE HD11 1.0 1.8 5.03 2353 1734 A 67 MET HE% B 18 LEU HD11 1.0 1.8 5.10 2354 1735 A 67 MET HE% B 71 PHE HBy 1.0 1.8 3.77 2355 1735 A 67 MET HE% B 71 PHE HBx 1.0 1.8 3.77 2356 1736 A 67 MET HE% B 71 PHE HD% 1.0 1.8 4.81 2357 1737 A 67 MET HE% B 71 PHE HE% 1.0 1.8 4.39 2358 1738 A 67 MET HE% B 71 PHE HZ 1.0 1.8 3.94 2359 1739 A 67 MET HE% B 75 LEU HD21 1.0 1.8 4.20 2360 1740 B 75 LEU HD21 A 67 MET HGx 1.0 1.8 5.72 2361 1740 B 75 LEU HD21 A 67 MET HGy 1.0 1.8 5.72 2362 1741 B 18 LEU HD11 A 67 MET HGx 1.0 1.8 5.53 2363 1742 B 18 LEU HD21 A 67 MET HGx 1.0 1.8 5.17 2364 1743 B 29 ILE HD11 A 67 MET HGx 1.0 1.8 5.50 2365 1744 B 18 LEU HD11 A 67 MET HGy 1.0 1.8 5.53 2366 1745 B 18 LEU HD21 A 67 MET HGy 1.0 1.8 5.17 2367 1746 B 29 ILE HD11 A 67 MET HGy 1.0 1.8 5.50 2368 1747 A 67 MET H B 16 LEU HD11 1.0 1.8 4.63 2369 1748 A 67 MET H B 16 LEU HD21 1.0 1.8 5.80 2370 1749 A 67 MET H B 18 LEU HD11 1.0 1.8 5.31 2371 1750 A 67 MET H B 18 LEU HD21 1.0 1.8 3.67 2372 1751 A 68 VAL HA B 71 PHE HA 1.0 1.8 6.05 2373 1752 A 68 VAL HA B 71 PHE HBy 1.0 1.8 4.35 2374 1752 A 68 VAL HA B 71 PHE HBx 1.0 1.8 4.35 2375 1753 A 68 VAL HGx% B 71 PHE HA 1.0 1.8 4.81 2376 1754 A 68 VAL HGx% B 71 PHE HBy 1.0 1.8 5.06 2377 1755 A 68 VAL HGx% B 71 PHE HBx 1.0 1.8 5.06 2378 1756 A 68 VAL HGx% B 71 PHE HD% 1.0 1.8 5.06 2379 1757 A 68 VAL HGx% B 72 LYS HA 1.0 1.8 5.25 2380 1758 A 68 VAL HGx% B 72 LYS HBx 1.0 1.8 5.27 2381 1758 A 68 VAL HGx% B 72 LYS HBy 1.0 1.8 5.27 2382 1759 A 68 VAL HGx% B 72 LYS HGy 1.0 1.8 6.05 2383 1759 A 68 VAL HGx% B 72 LYS HGx 1.0 1.8 6.05 2384 1760 A 68 VAL HGx% B 72 LYS H 1.0 1.8 5.51 2385 1761 A 68 VAL HGx% B 73 GLY H 1.0 1.8 5.20 2386 1762 A 68 VAL HGx% B 74 ASN H 1.0 1.8 5.51 2387 1763 A 68 VAL HGx% B 75 LEU HD11 1.0 1.8 4.37 2388 1764 A 68 VAL HGx% B 75 LEU HD21 1.0 1.8 4.47 2389 1765 A 68 VAL HGx% B 76 GLU HBx 1.0 1.8 4.29 2390 1765 A 68 VAL HGx% B 76 GLU HBy 1.0 1.8 4.29 2391 1766 A 68 VAL HGy% B 71 PHE HBy 1.0 1.8 4.74 2392 1767 A 68 VAL HGy% B 71 PHE HBx 1.0 1.8 4.74 2393 1768 A 68 VAL HGy% B 71 PHE HD% 1.0 1.8 4.09 2394 1769 A 68 VAL HGy% B 71 PHE HE% 1.0 1.8 4.95 2395 1770 A 68 VAL HGy% B 71 PHE H 1.0 1.8 5.39 2396 1771 A 68 VAL HGy% B 75 LEU HBx 1.0 1.8 4.81 2397 1771 A 68 VAL HGy% B 75 LEU HBy 1.0 1.8 4.81 2398 1772 A 68 VAL HGy% B 75 LEU HD11 1.0 1.8 4.30 2399 1773 A 68 VAL HGy% B 75 LEU HD21 1.0 1.8 4.52 2400 1774 A 68 VAL H B 18 LEU HD21 1.0 1.8 5.52 2401 1775 A 68 VAL H B 75 LEU HD21 1.0 1.8 6.05 2402 1776 A 69 ASP H B 76 GLU HBx 1.0 1.8 6.05 2403 1776 A 69 ASP H B 76 GLU HBy 1.0 1.8 6.05 2404 1777 A 70 ALA HA B 16 LEU HD11 1.0 1.8 5.06 2405 1778 A 70 ALA HA B 16 LEU HD21 1.0 1.8 5.33 2406 1779 A 70 ALA HB% B 16 LEU HBx 1.0 1.8 4.39 2407 1779 A 70 ALA HB% B 16 LEU HBy 1.0 1.8 4.39 2408 1780 A 70 ALA HB% B 16 LEU HD11 1.0 1.8 3.07 2409 1781 A 70 ALA HB% B 16 LEU HD21 1.0 1.8 3.13 2410 1782 A 70 ALA H B 16 LEU HD11 1.0 1.8 4.72 2411 1783 A 70 ALA H B 16 LEU HD21 1.0 1.8 4.70 2412 1784 A 71 PHE HA B 68 VAL HA 1.0 1.8 6.05 2413 1785 A 71 PHE HA B 68 VAL HG11 1.0 1.8 4.81 2414 1786 B 67 MET HE1 A 71 PHE HBx 1.0 1.8 3.77 2415 1786 A 71 PHE HBy B 67 MET HE1 1.0 1.8 3.77 2416 1787 B 68 VAL HA A 71 PHE HBx 1.0 1.8 4.35 2417 1787 A 71 PHE HBy B 68 VAL HA 1.0 1.8 4.35 2418 1788 B 68 VAL HG11 A 71 PHE HBx 1.0 1.8 5.06 2419 1789 B 68 VAL HG21 A 71 PHE HBx 1.0 1.8 4.74 2420 1790 A 71 PHE HBy B 68 VAL HG11 1.0 1.8 5.06 2421 1791 A 71 PHE HBy B 68 VAL HG21 1.0 1.8 4.74 2422 1792 A 71 PHE HD% B 15 LEU HBy 1.0 1.8 4.98 2423 1792 A 71 PHE HD% B 15 LEU HBx 1.0 1.8 4.98 2424 1793 A 71 PHE HD% B 15 LEU HD21 1.0 1.8 4.92 2425 1794 A 71 PHE HD% B 29 ILE HD11 1.0 1.8 4.95 2426 1795 A 71 PHE HD% B 67 MET HE1 1.0 1.8 4.81 2427 1796 A 71 PHE HD% B 68 VAL HG11 1.0 1.8 5.06 2428 1797 A 71 PHE HD% B 68 VAL HG21 1.0 1.8 4.09 2429 1798 B 15 LEU HD11 A 71 PHE HE% 1.0 1.8 3.37 2430 1799 B 15 LEU HD21 A 71 PHE HE% 1.0 1.8 3.94 2431 1800 B 16 LEU HD11 A 71 PHE HE% 1.0 1.8 4.98 2432 1801 B 16 LEU HD21 A 71 PHE HE% 1.0 1.8 5.03 2433 1802 A 71 PHE HE% B 16 LEU HG 1.0 1.8 4.86 2434 1803 B 29 ILE HD11 A 71 PHE HE% 1.0 1.8 3.88 2435 1804 B 29 ILE HG21 A 71 PHE HE% 1.0 1.8 4.11 2436 1805 B 64 PHE HZ A 71 PHE HE% 1.0 1.8 3.89 2437 1806 B 67 MET HE1 A 71 PHE HE% 1.0 1.8 4.39 2438 1807 B 68 VAL HG21 A 71 PHE HE% 1.0 1.8 4.95 2439 1808 A 71 PHE H B 16 LEU HD11 1.0 1.8 4.68 2440 1809 A 71 PHE H B 16 LEU HD21 1.0 1.8 5.16 2441 1810 A 71 PHE H B 68 VAL HG21 1.0 1.8 5.39 2442 1811 B 15 LEU HD11 A 71 PHE HZ 1.0 1.8 4.77 2443 1812 B 16 LEU HD11 A 71 PHE HZ 1.0 1.8 5.48 2444 1813 B 29 ILE HD11 A 71 PHE HZ 1.0 1.8 3.93 2445 1814 B 29 ILE HG21 A 71 PHE HZ 1.0 1.8 4.70 2446 1815 B 64 PHE HE% A 71 PHE HZ 1.0 1.8 4.22 2447 1816 B 67 MET HE1 A 71 PHE HZ 1.0 1.8 3.94 2448 1817 A 72 LYS HA B 68 VAL HG11 1.0 1.8 5.25 2449 1818 A 72 LYS HA B 72 LYS HEx 1.0 1.8 4.64 2450 1818 A 72 LYS HA B 72 LYS HEy 1.0 1.8 4.64 2451 1819 B 68 VAL HG11 A 72 LYS HBx 1.0 1.8 5.27 2452 1819 A 72 LYS HBy B 68 VAL HG11 1.0 1.8 5.27 2453 1820 A 72 LYS HBy B 72 LYS HEx 1.0 1.8 4.93 2454 1820 A 72 LYS HBx B 72 LYS HEx 1.0 1.8 4.93 2455 1820 B 72 LYS HEy A 72 LYS HBx 1.0 1.8 4.93 2456 1820 A 72 LYS HBy B 72 LYS HEy 1.0 1.8 4.93 2457 1821 B 72 LYS HA A 72 LYS HEx 1.0 1.8 4.64 2458 1821 A 72 LYS HEy B 72 LYS HA 1.0 1.8 4.64 2459 1822 A 72 LYS HEx B 72 LYS HBx 1.0 1.8 4.93 2460 1822 B 72 LYS HBy A 72 LYS HEx 1.0 1.8 4.93 2461 1822 A 72 LYS HEy B 72 LYS HBy 1.0 1.8 4.93 2462 1822 A 72 LYS HEy B 72 LYS HBx 1.0 1.8 4.93 2463 1823 B 68 VAL HG11 A 72 LYS HGx 1.0 1.8 6.05 2464 1823 B 68 VAL HG11 A 72 LYS HGy 1.0 1.8 6.05 2465 1824 A 72 LYS H B 68 VAL HG11 1.0 1.8 5.51 2466 1825 A 73 GLY H B 68 VAL HG11 1.0 1.8 5.20 2467 1826 A 74 ASN H B 68 VAL HG11 1.0 1.8 5.51 2468 1827 B 68 VAL HG21 A 75 LEU HBx 1.0 1.8 4.81 2469 1827 A 75 LEU HBy B 68 VAL HG21 1.0 1.8 4.81 2470 1828 A 75 LEU HDx% B 65 GLN HA 1.0 1.8 4.57 2471 1829 A 75 LEU HDx% B 68 VAL HG11 1.0 1.8 4.50 2472 1830 A 75 LEU HDx% B 68 VAL HG21 1.0 1.8 4.30 2473 1831 A 75 LEU HDy% B 41 PHE HD% 1.0 1.8 5.00 2474 1832 A 75 LEU HDy% B 61 ASN HA 1.0 1.8 5.57 2475 1833 A 75 LEU HDy% B 64 PHE HA 1.0 1.8 5.04 2476 1834 A 75 LEU HDy% B 64 PHE H 1.0 1.8 5.83 2477 1835 A 75 LEU HDy% B 65 GLN H 1.0 1.8 3.84 2478 1836 A 75 LEU HDy% B 67 MET HE1 1.0 1.8 4.20 2479 1837 A 75 LEU HDy% B 67 MET HGy 1.0 1.8 5.72 2480 1837 A 75 LEU HDy% B 67 MET HGx 1.0 1.8 5.72 2481 1838 A 75 LEU HDy% B 68 VAL HG11 1.0 1.8 4.47 2482 1839 A 75 LEU HDy% B 68 VAL HG21 1.0 1.8 4.52 2483 1840 A 75 LEU HDy% B 68 VAL H 1.0 1.8 6.05 2484 1841 B 65 GLN HE2y A 76 GLU HBx 1.0 1.8 5.58 2485 1841 A 76 GLU HBy B 65 GLN HE2y 1.0 1.8 5.58 2486 1842 B 68 VAL HG11 A 76 GLU HBx 1.0 1.8 4.29 2487 1842 A 76 GLU HBy B 68 VAL HG11 1.0 1.8 4.29 2488 1843 B 69 ASP H A 76 GLU HBx 1.0 1.8 6.05 2489 1843 A 76 GLU HBy B 69 ASP H 1.0 1.8 6.05 2490 1844 A 77 HIS H B 65 GLN HE2y 1.0 1.8 5.57 2491 1845 A 71 PHE HD% B 15 LEU HBy 1.0 1.8 4.98 2492 1845 A 71 PHE HD% B 15 LEU HBx 1.0 1.8 4.98 2493 1846 B 15 LEU HD11 A 71 PHE HE% 1.0 1.8 3.37 2494 1847 B 15 LEU HD11 A 71 PHE HZ 1.0 1.8 4.77 2495 1848 A 71 PHE HD% B 15 LEU HD21 1.0 1.8 4.92 2496 1849 B 15 LEU HD21 A 71 PHE HE% 1.0 1.8 3.94 2497 1850 A 70 ALA HB% B 16 LEU HBx 1.0 1.8 4.39 2498 1850 A 70 ALA HB% B 16 LEU HBy 1.0 1.8 4.39 2499 1851 A 66 THR HG2% B 16 LEU HD11 1.0 1.8 3.49 2500 1852 A 67 MET HA B 16 LEU HD11 1.0 1.8 4.26 2501 1853 A 67 MET H B 16 LEU HD11 1.0 1.8 4.63 2502 1854 A 70 ALA HA B 16 LEU HD11 1.0 1.8 5.06 2503 1855 A 70 ALA HB% B 16 LEU HD11 1.0 1.8 3.07 2504 1856 A 70 ALA H B 16 LEU HD11 1.0 1.8 4.72 2505 1857 B 16 LEU HD11 A 71 PHE HE% 1.0 1.8 4.98 2506 1858 A 71 PHE H B 16 LEU HD11 1.0 1.8 4.68 2507 1859 B 16 LEU HD11 A 71 PHE HZ 1.0 1.8 5.48 2508 1860 A 66 THR HG2% B 16 LEU HD21 1.0 1.8 4.89 2509 1861 A 67 MET HA B 16 LEU HD21 1.0 1.8 3.90 2510 1862 A 67 MET H B 16 LEU HD21 1.0 1.8 5.80 2511 1863 A 70 ALA HA B 16 LEU HD21 1.0 1.8 5.33 2512 1864 A 70 ALA HB% B 16 LEU HD21 1.0 1.8 3.13 2513 1865 A 70 ALA H B 16 LEU HD21 1.0 1.8 4.70 2514 1866 B 16 LEU HD21 A 71 PHE HE% 1.0 1.8 5.03 2515 1867 A 71 PHE H B 16 LEU HD21 1.0 1.8 5.16 2516 1868 A 71 PHE HE% B 16 LEU HG 1.0 1.8 4.86 2517 1869 A 66 THR HG2% B 18 LEU HA 1.0 1.8 3.49 2518 1870 A 63 GLU HA B 18 LEU HBy 1.0 1.8 5.04 2519 1870 A 63 GLU HA B 18 LEU HBx 1.0 1.8 5.04 2520 1871 A 63 GLU HA B 18 LEU HD11 1.0 1.8 4.70 2521 1872 B 18 LEU HD11 A 63 GLU HBx 1.0 1.8 3.88 2522 1872 A 63 GLU HBy B 18 LEU HD11 1.0 1.8 3.88 2523 1873 A 64 PHE HA B 18 LEU HD11 1.0 1.8 5.41 2524 1874 A 66 THR HG2% B 18 LEU HD11 1.0 1.8 4.75 2525 1875 A 67 MET HE% B 18 LEU HD11 1.0 1.8 5.10 2526 1876 B 18 LEU HD11 A 67 MET HGx 1.0 1.8 5.53 2527 1877 B 18 LEU HD11 A 67 MET HGy 1.0 1.8 5.53 2528 1878 A 67 MET H B 18 LEU HD11 1.0 1.8 5.31 2529 1879 A 63 GLU HA B 18 LEU HD21 1.0 1.8 4.82 2530 1880 A 64 PHE HA B 18 LEU HD21 1.0 1.8 6.05 2531 1881 A 66 THR HA B 18 LEU HD21 1.0 1.8 5.73 2532 1882 A 66 THR HB B 18 LEU HD21 1.0 1.8 3.73 2533 1883 A 66 THR HG2% B 18 LEU HD21 1.0 1.8 3.12 2534 1884 A 66 THR H B 18 LEU HD21 1.0 1.8 5.48 2535 1885 A 67 MET HA B 18 LEU HD21 1.0 1.8 3.81 2536 1886 B 18 LEU HD21 A 67 MET HBx 1.0 1.8 4.47 2537 1886 A 67 MET HBy B 18 LEU HD21 1.0 1.8 4.47 2538 1887 B 18 LEU HD21 A 67 MET HGx 1.0 1.8 5.17 2539 1888 B 18 LEU HD21 A 67 MET HGy 1.0 1.8 5.17 2540 1889 A 67 MET H B 18 LEU HD21 1.0 1.8 3.67 2541 1890 A 68 VAL H B 18 LEU HD21 1.0 1.8 5.52 2542 1891 A 66 THR HG2% B 18 LEU HG 1.0 1.8 5.36 2543 1892 A 57 ILE HD1% B 27 LYS HA 1.0 1.8 5.63 2544 1893 A 57 ILE HD1% B 27 LYS HDx 1.0 1.8 3.23 2545 1893 A 57 ILE HD1% B 27 LYS HDy 1.0 1.8 3.23 2546 1894 A 57 ILE HG1y B 27 LYS HDx 1.0 1.8 3.81 2547 1894 A 57 ILE HG1x B 27 LYS HDx 1.0 1.8 3.81 2548 1894 B 27 LYS HDy A 57 ILE HG1x 1.0 1.8 3.81 2549 1894 A 57 ILE HG1y B 27 LYS HDy 1.0 1.8 3.81 2550 1895 A 57 ILE HD1% B 27 LYS HEx 1.0 1.8 3.84 2551 1895 A 57 ILE HD1% B 27 LYS HEy 1.0 1.8 3.84 2552 1896 A 59 LEU HA B 27 LYS HEx 1.0 1.8 5.25 2553 1896 A 59 LEU HA B 27 LYS HEy 1.0 1.8 5.25 2554 1897 A 59 LEU HDy% B 27 LYS HEx 1.0 1.8 3.81 2555 1897 A 59 LEU HDy% B 27 LYS HEy 1.0 1.8 3.81 2556 1898 A 57 ILE HD1% B 27 LYS HGy 1.0 1.8 4.25 2557 1898 A 57 ILE HD1% B 27 LYS HGx 1.0 1.8 4.25 2558 1899 A 57 ILE HG2% B 27 LYS HGy 1.0 1.8 5.87 2559 1899 A 57 ILE HG2% B 27 LYS HGx 1.0 1.8 5.87 2560 1900 A 59 LEU HDx% B 27 LYS HGy 1.0 1.8 5.87 2561 1900 A 59 LEU HDx% B 27 LYS HGx 1.0 1.8 5.87 2562 1901 A 59 LEU HDy% B 27 LYS HGy 1.0 1.8 5.85 2563 1901 A 59 LEU HDy% B 27 LYS HGx 1.0 1.8 5.85 2564 1902 A 67 MET HA B 29 ILE HD11 1.0 1.8 4.41 2565 1903 B 29 ILE HD11 A 67 MET HBx 1.0 1.8 5.03 2566 1903 A 67 MET HBy B 29 ILE HD11 1.0 1.8 5.03 2567 1904 B 29 ILE HD11 A 67 MET HGx 1.0 1.8 5.50 2568 1905 B 29 ILE HD11 A 67 MET HGy 1.0 1.8 5.50 2569 1906 A 71 PHE HD% B 29 ILE HD11 1.0 1.8 4.95 2570 1907 B 29 ILE HD11 A 71 PHE HE% 1.0 1.8 3.88 2571 1908 B 29 ILE HD11 A 71 PHE HZ 1.0 1.8 3.93 2572 1909 B 29 ILE HG21 A 71 PHE HE% 1.0 1.8 4.11 2573 1910 B 29 ILE HG21 A 71 PHE HZ 1.0 1.8 4.70 2574 1911 A 75 LEU HDy% B 41 PHE HD% 1.0 1.8 5.00 2575 1912 A 57 ILE HD1% B 43 ILE HB 1.0 1.8 4.69 2576 1913 A 57 ILE HD1% B 44 ARG HA 1.0 1.8 3.59 2577 1914 A 57 ILE HD1% B 45 ALA HB1 1.0 1.8 4.39 2578 1915 A 57 ILE HD1% B 45 ALA H 1.0 1.8 4.88 2579 1916 A 57 ILE HD1% B 55 LYS HBx 1.0 1.8 4.76 2580 1916 A 57 ILE HD1% B 55 LYS HBy 1.0 1.8 4.76 2581 1917 B 56 GLY HAy A 57 ILE HG1x 1.0 1.8 6.05 2582 1917 A 57 ILE HG1x B 56 GLY HAx 1.0 1.8 6.05 2583 1918 A 57 ILE HG1y B 56 GLY HAy 1.0 1.8 6.05 2584 1918 A 57 ILE HG1y B 56 GLY HAx 1.0 1.8 6.05 2585 1919 A 57 ILE HG2% B 56 GLY HAx 1.0 1.8 5.10 2586 1919 A 57 ILE HG2% B 56 GLY HAy 1.0 1.8 5.10 2587 1920 A 57 ILE HB B 56 GLY HAy 1.0 1.8 6.05 2588 1921 A 57 ILE HD1% B 56 GLY HAy 1.0 1.8 4.65 2589 1922 A 57 ILE HB B 56 GLY HAx 1.0 1.8 6.05 2590 1923 A 57 ILE HD1% B 56 GLY HAx 1.0 1.8 4.65 2591 1924 A 57 ILE HB B 56 GLY H 1.0 1.8 6.05 2592 1925 A 57 ILE HD1% B 56 GLY H 1.0 1.8 4.86 2593 1926 A 56 GLY HAx B 57 ILE HB 1.0 1.8 6.05 2594 1927 B 57 ILE HB A 56 GLY HAy 1.0 1.8 6.05 2595 1928 A 56 GLY H B 57 ILE HB 1.0 1.8 6.05 2596 1929 A 27 LYS HA B 57 ILE HD11 1.0 1.8 5.63 2597 1930 B 57 ILE HD11 A 27 LYS HDx 1.0 1.8 3.23 2598 1930 A 27 LYS HDy B 57 ILE HD11 1.0 1.8 3.23 2599 1931 B 57 ILE HD11 A 27 LYS HEx 1.0 1.8 3.84 2600 1931 A 27 LYS HEy B 57 ILE HD11 1.0 1.8 3.84 2601 1932 B 57 ILE HD11 A 27 LYS HGx 1.0 1.8 4.25 2602 1932 A 27 LYS HGy B 57 ILE HD11 1.0 1.8 4.25 2603 1933 A 43 ILE HB B 57 ILE HD11 1.0 1.8 4.69 2604 1934 A 44 ARG HA B 57 ILE HD11 1.0 1.8 3.59 2605 1935 A 45 ALA HB% B 57 ILE HD11 1.0 1.8 4.39 2606 1936 A 45 ALA H B 57 ILE HD11 1.0 1.8 4.88 2607 1937 B 57 ILE HD11 A 55 LYS HBy 1.0 1.8 4.76 2608 1937 A 55 LYS HBx B 57 ILE HD11 1.0 1.8 4.76 2609 1938 A 56 GLY HAx B 57 ILE HD11 1.0 1.8 4.65 2610 1939 B 57 ILE HD11 A 56 GLY HAy 1.0 1.8 4.65 2611 1940 A 56 GLY H B 57 ILE HD11 1.0 1.8 4.86 2612 1941 A 57 ILE H B 57 ILE HD11 1.0 1.8 6.05 2613 1942 A 27 LYS HDy B 57 ILE HG1y 1.0 1.8 3.81 2614 1942 B 57 ILE HG1x A 27 LYS HDx 1.0 1.8 3.81 2615 1942 A 27 LYS HDy B 57 ILE HG1x 1.0 1.8 3.81 2616 1942 A 27 LYS HDx B 57 ILE HG1y 1.0 1.8 3.81 2617 1943 A 56 GLY HAy B 57 ILE HG1y 1.0 1.8 6.05 2618 1943 A 56 GLY HAx B 57 ILE HG1y 1.0 1.8 6.05 2619 1944 B 57 ILE HG1x A 56 GLY HAy 1.0 1.8 6.05 2620 1944 A 56 GLY HAx B 57 ILE HG1x 1.0 1.8 6.05 2621 1945 B 57 ILE HG21 A 27 LYS HGx 1.0 1.8 5.87 2622 1945 A 27 LYS HGy B 57 ILE HG21 1.0 1.8 5.87 2623 1946 B 57 ILE HG21 A 56 GLY HAy 1.0 1.8 5.10 2624 1946 A 56 GLY HAx B 57 ILE HG21 1.0 1.8 5.10 2625 1947 A 57 ILE HD1% B 57 ILE H 1.0 1.8 6.05 2626 1948 B 59 LEU HA A 27 LYS HEx 1.0 1.8 5.25 2627 1948 A 27 LYS HEy B 59 LEU HA 1.0 1.8 5.25 2628 1949 B 59 LEU HD11 A 27 LYS HGx 1.0 1.8 5.87 2629 1949 A 27 LYS HGy B 59 LEU HD11 1.0 1.8 5.87 2630 1950 B 59 LEU HD21 A 27 LYS HEx 1.0 1.8 3.81 2631 1950 A 27 LYS HEy B 59 LEU HD21 1.0 1.8 3.81 2632 1951 B 59 LEU HD21 A 27 LYS HGx 1.0 1.8 5.85 2633 1951 A 27 LYS HGy B 59 LEU HD21 1.0 1.8 5.85 2634 1952 A 75 LEU HDy% B 61 ASN HA 1.0 1.8 5.57 2635 1953 B 63 GLU HA A 18 LEU HBx 1.0 1.8 4.93 2636 1953 A 18 LEU HBy B 63 GLU HA 1.0 1.8 4.93 2637 1954 A 18 LEU HDx% B 63 GLU HA 1.0 1.8 4.70 2638 1955 A 18 LEU HDy% B 63 GLU HA 1.0 1.8 4.82 2639 1956 A 18 LEU HDx% B 63 GLU HBx 1.0 1.8 3.88 2640 1956 A 18 LEU HDx% B 63 GLU HBy 1.0 1.8 3.88 2641 1957 A 18 LEU HDx% B 64 PHE HA 1.0 1.8 5.41 2642 1958 A 18 LEU HDy% B 64 PHE HA 1.0 1.8 6.05 2643 1959 A 75 LEU HDy% B 64 PHE HA 1.0 1.8 5.04 2644 1960 B 64 PHE HE% A 71 PHE HZ 1.0 1.8 4.22 2645 1961 A 75 LEU HDy% B 64 PHE H 1.0 1.8 5.83 2646 1962 B 64 PHE HZ A 71 PHE HE% 1.0 1.8 3.89 2647 1963 A 75 LEU HDx% B 65 GLN HA 1.0 1.8 4.57 2648 1964 B 65 GLN HE2y A 76 GLU HBx 1.0 1.8 5.58 2649 1964 A 76 GLU HBy B 65 GLN HE2y 1.0 1.8 5.58 2650 1965 A 77 HIS H B 65 GLN HE2y 1.0 1.8 5.57 2651 1966 A 75 LEU HDy% B 65 GLN H 1.0 1.8 3.84 2652 1967 A 18 LEU HDy% B 66 THR HA 1.0 1.8 5.73 2653 1968 A 18 LEU HDy% B 66 THR HB 1.0 1.8 3.73 2654 1969 A 16 LEU HDx% B 66 THR HG21 1.0 1.8 3.49 2655 1970 A 16 LEU HDy% B 66 THR HG21 1.0 1.8 4.89 2656 1971 A 18 LEU HA B 66 THR HG21 1.0 1.8 3.49 2657 1972 A 18 LEU HDx% B 66 THR HG21 1.0 1.8 4.75 2658 1973 A 18 LEU HDy% B 66 THR HG21 1.0 1.8 3.12 2659 1974 A 18 LEU HG B 66 THR HG21 1.0 1.8 5.36 2660 1975 A 18 LEU HDy% B 66 THR H 1.0 1.8 5.48 2661 1976 A 16 LEU HDx% B 67 MET HA 1.0 1.8 4.26 2662 1977 A 16 LEU HDy% B 67 MET HA 1.0 1.8 3.90 2663 1978 A 18 LEU HDy% B 67 MET HA 1.0 1.8 3.81 2664 1979 A 29 ILE HD1% B 67 MET HA 1.0 1.8 4.41 2665 1980 A 18 LEU HDy% B 67 MET HBx 1.0 1.8 4.47 2666 1980 A 18 LEU HDy% B 67 MET HBy 1.0 1.8 4.47 2667 1981 A 29 ILE HD1% B 67 MET HBx 1.0 1.8 5.03 2668 1981 A 29 ILE HD1% B 67 MET HBy 1.0 1.8 5.03 2669 1982 A 18 LEU HDx% B 67 MET HE1 1.0 1.8 5.10 2670 1983 B 67 MET HE1 A 71 PHE HBx 1.0 1.8 3.77 2671 1983 A 71 PHE HBy B 67 MET HE1 1.0 1.8 3.77 2672 1984 A 71 PHE HD% B 67 MET HE1 1.0 1.8 4.81 2673 1985 B 67 MET HE1 A 71 PHE HE% 1.0 1.8 4.39 2674 1986 B 67 MET HE1 A 71 PHE HZ 1.0 1.8 3.94 2675 1987 A 75 LEU HDy% B 67 MET HE1 1.0 1.8 4.20 2676 1988 A 75 LEU HDy% B 67 MET HGy 1.0 1.8 5.72 2677 1988 A 75 LEU HDy% B 67 MET HGx 1.0 1.8 5.72 2678 1989 A 18 LEU HDx% B 67 MET HGy 1.0 1.8 5.53 2679 1990 A 18 LEU HDy% B 67 MET HGy 1.0 1.8 5.17 2680 1991 A 29 ILE HD1% B 67 MET HGy 1.0 1.8 5.50 2681 1992 A 18 LEU HDx% B 67 MET HGx 1.0 1.8 5.53 2682 1993 A 18 LEU HDy% B 67 MET HGx 1.0 1.8 5.17 2683 1994 A 29 ILE HD1% B 67 MET HGx 1.0 1.8 5.50 2684 1995 A 16 LEU HDx% B 67 MET H 1.0 1.8 4.63 2685 1996 A 16 LEU HDy% B 67 MET H 1.0 1.8 5.80 2686 1997 A 18 LEU HDx% B 67 MET H 1.0 1.8 5.31 2687 1998 A 18 LEU HDy% B 67 MET H 1.0 1.8 3.67 2688 1999 A 71 PHE HA B 68 VAL HA 1.0 1.8 6.05 2689 2000 B 68 VAL HA A 71 PHE HBx 1.0 1.8 4.35 2690 2000 A 71 PHE HBy B 68 VAL HA 1.0 1.8 4.35 2691 2001 A 71 PHE HA B 68 VAL HG11 1.0 1.8 4.81 2692 2002 B 68 VAL HG11 A 71 PHE HBx 1.0 1.8 5.06 2693 2003 A 71 PHE HBy B 68 VAL HG11 1.0 1.8 5.06 2694 2004 A 71 PHE HD% B 68 VAL HG11 1.0 1.8 5.06 2695 2005 A 72 LYS HA B 68 VAL HG11 1.0 1.8 5.25 2696 2006 B 68 VAL HG11 A 72 LYS HBx 1.0 1.8 5.27 2697 2006 A 72 LYS HBy B 68 VAL HG11 1.0 1.8 5.27 2698 2007 B 68 VAL HG11 A 72 LYS HGx 1.0 1.8 6.05 2699 2007 B 68 VAL HG11 A 72 LYS HGy 1.0 1.8 6.05 2700 2008 A 72 LYS H B 68 VAL HG11 1.0 1.8 5.51 2701 2009 A 73 GLY H B 68 VAL HG11 1.0 1.8 5.20 2702 2010 A 74 ASN H B 68 VAL HG11 1.0 1.8 5.51 2703 2011 A 75 LEU HDx% B 68 VAL HG11 1.0 1.8 4.50 2704 2012 A 75 LEU HDy% B 68 VAL HG11 1.0 1.8 4.47 2705 2013 B 68 VAL HG11 A 76 GLU HBx 1.0 1.8 4.29 2706 2013 A 76 GLU HBy B 68 VAL HG11 1.0 1.8 4.29 2707 2014 B 68 VAL HG21 A 71 PHE HBx 1.0 1.8 4.74 2708 2015 A 71 PHE HBy B 68 VAL HG21 1.0 1.8 4.74 2709 2016 A 71 PHE HD% B 68 VAL HG21 1.0 1.8 4.09 2710 2017 B 68 VAL HG21 A 71 PHE HE% 1.0 1.8 4.95 2711 2018 A 71 PHE H B 68 VAL HG21 1.0 1.8 5.39 2712 2019 B 68 VAL HG21 A 75 LEU HBx 1.0 1.8 4.81 2713 2019 A 75 LEU HBy B 68 VAL HG21 1.0 1.8 4.81 2714 2020 A 75 LEU HDx% B 68 VAL HG21 1.0 1.8 4.30 2715 2021 A 75 LEU HDy% B 68 VAL HG21 1.0 1.8 4.52 2716 2022 A 18 LEU HDy% B 68 VAL H 1.0 1.8 5.52 2717 2023 A 75 LEU HDy% B 68 VAL H 1.0 1.8 6.05 2718 2024 B 69 ASP H A 76 GLU HBx 1.0 1.8 6.05 2719 2024 A 76 GLU HBy B 69 ASP H 1.0 1.8 6.05 2720 2025 A 16 LEU HDx% B 70 ALA HA 1.0 1.8 5.06 2721 2026 A 16 LEU HDy% B 70 ALA HA 1.0 1.8 5.33 2722 2027 B 70 ALA HB1 A 16 LEU HBx 1.0 1.8 4.39 2723 2027 A 16 LEU HBy B 70 ALA HB1 1.0 1.8 4.39 2724 2028 A 16 LEU HDx% B 70 ALA HB1 1.0 1.8 3.07 2725 2029 A 16 LEU HDy% B 70 ALA HB1 1.0 1.8 3.13 2726 2030 A 16 LEU HDx% B 70 ALA H 1.0 1.8 4.72 2727 2031 A 16 LEU HDy% B 70 ALA H 1.0 1.8 4.70 2728 2032 A 68 VAL HA B 71 PHE HA 1.0 1.8 6.05 2729 2033 A 68 VAL HGx% B 71 PHE HA 1.0 1.8 4.81 2730 2034 A 67 MET HE% B 71 PHE HBy 1.0 1.8 3.77 2731 2034 A 67 MET HE% B 71 PHE HBx 1.0 1.8 3.77 2732 2035 A 68 VAL HA B 71 PHE HBy 1.0 1.8 4.35 2733 2035 A 68 VAL HA B 71 PHE HBx 1.0 1.8 4.35 2734 2036 A 68 VAL HGx% B 71 PHE HBy 1.0 1.8 5.06 2735 2037 A 68 VAL HGy% B 71 PHE HBy 1.0 1.8 4.74 2736 2038 A 68 VAL HGx% B 71 PHE HBx 1.0 1.8 5.06 2737 2039 A 68 VAL HGy% B 71 PHE HBx 1.0 1.8 4.74 2738 2040 B 71 PHE HD% A 15 LEU HBx 1.0 1.8 4.98 2739 2040 A 15 LEU HBy B 71 PHE HD% 1.0 1.8 4.98 2740 2041 A 15 LEU HDy% B 71 PHE HD% 1.0 1.8 5.60 2741 2042 A 29 ILE HD1% B 71 PHE HD% 1.0 1.8 4.95 2742 2043 A 67 MET HE% B 71 PHE HD% 1.0 1.8 4.81 2743 2044 A 68 VAL HGx% B 71 PHE HD% 1.0 1.8 5.06 2744 2045 A 68 VAL HGy% B 71 PHE HD% 1.0 1.8 4.09 2745 2046 A 15 LEU HDx% B 71 PHE HE% 1.0 1.8 3.37 2746 2047 A 15 LEU HDy% B 71 PHE HE% 1.0 1.8 3.94 2747 2048 A 16 LEU HDx% B 71 PHE HE% 1.0 1.8 4.98 2748 2049 A 16 LEU HDy% B 71 PHE HE% 1.0 1.8 5.03 2749 2050 B 71 PHE HE% A 16 LEU HG 1.0 1.8 4.86 2750 2051 A 29 ILE HD1% B 71 PHE HE% 1.0 1.8 3.88 2751 2052 A 29 ILE HG2% B 71 PHE HE% 1.0 1.8 4.11 2752 2053 A 64 PHE HZ B 71 PHE HE% 1.0 1.8 3.89 2753 2054 A 67 MET HE% B 71 PHE HE% 1.0 1.8 4.39 2754 2055 A 68 VAL HGy% B 71 PHE HE% 1.0 1.8 4.95 2755 2056 A 16 LEU HDx% B 71 PHE H 1.0 1.8 4.68 2756 2057 A 16 LEU HDy% B 71 PHE H 1.0 1.8 5.16 2757 2058 A 68 VAL HGy% B 71 PHE H 1.0 1.8 5.39 2758 2059 A 15 LEU HDx% B 71 PHE HZ 1.0 1.8 4.77 2759 2060 A 16 LEU HDx% B 71 PHE HZ 1.0 1.8 5.48 2760 2061 A 29 ILE HD1% B 71 PHE HZ 1.0 1.8 3.93 2761 2062 A 29 ILE HG2% B 71 PHE HZ 1.0 1.8 4.70 2762 2063 A 64 PHE HE% B 71 PHE HZ 1.0 1.8 4.22 2763 2064 A 67 MET HE% B 71 PHE HZ 1.0 1.8 3.94 2764 2065 A 68 VAL HGx% B 72 LYS HA 1.0 1.8 5.25 2765 2066 B 72 LYS HA A 72 LYS HEx 1.0 1.8 4.64 2766 2066 A 72 LYS HEy B 72 LYS HA 1.0 1.8 4.64 2767 2067 A 68 VAL HGx% B 72 LYS HBx 1.0 1.8 5.27 2768 2067 A 68 VAL HGx% B 72 LYS HBy 1.0 1.8 5.27 2769 2068 A 72 LYS HEx B 72 LYS HBx 1.0 1.8 4.93 2770 2068 B 72 LYS HBy A 72 LYS HEx 1.0 1.8 4.93 2771 2068 A 72 LYS HEy B 72 LYS HBy 1.0 1.8 4.93 2772 2068 A 72 LYS HEy B 72 LYS HBx 1.0 1.8 4.93 2773 2069 A 72 LYS HA B 72 LYS HEx 1.0 1.8 4.64 2774 2069 A 72 LYS HA B 72 LYS HEy 1.0 1.8 4.64 2775 2070 A 72 LYS HBy B 72 LYS HEx 1.0 1.8 4.93 2776 2070 A 72 LYS HBx B 72 LYS HEx 1.0 1.8 4.93 2777 2070 B 72 LYS HEy A 72 LYS HBx 1.0 1.8 4.93 2778 2070 A 72 LYS HBy B 72 LYS HEy 1.0 1.8 4.93 2779 2071 A 68 VAL HGx% B 72 LYS HGy 1.0 1.8 6.05 2780 2071 A 68 VAL HGx% B 72 LYS HGx 1.0 1.8 6.05 2781 2072 A 68 VAL HGx% B 72 LYS H 1.0 1.8 5.51 2782 2073 A 68 VAL HGx% B 73 GLY H 1.0 1.8 5.20 2783 2074 A 68 VAL HGx% B 74 ASN H 1.0 1.8 5.51 2784 2075 A 68 VAL HGy% B 75 LEU HBx 1.0 1.8 4.81 2785 2075 A 68 VAL HGy% B 75 LEU HBy 1.0 1.8 4.81 2786 2076 A 65 GLN HA B 75 LEU HD11 1.0 1.8 4.57 2787 2077 A 68 VAL HGx% B 75 LEU HD11 1.0 1.8 4.37 2788 2078 A 68 VAL HGy% B 75 LEU HD11 1.0 1.8 4.30 2789 2079 A 41 PHE HD% B 75 LEU HD21 1.0 1.8 5.00 2790 2080 A 61 ASN HA B 75 LEU HD21 1.0 1.8 5.57 2791 2081 A 64 PHE HA B 75 LEU HD21 1.0 1.8 5.04 2792 2082 A 64 PHE H B 75 LEU HD21 1.0 1.8 5.83 2793 2083 A 65 GLN H B 75 LEU HD21 1.0 1.8 3.84 2794 2084 A 67 MET HE% B 75 LEU HD21 1.0 1.8 4.20 2795 2085 B 75 LEU HD21 A 67 MET HGx 1.0 1.8 5.72 2796 2085 B 75 LEU HD21 A 67 MET HGy 1.0 1.8 5.72 2797 2086 A 68 VAL HGx% B 75 LEU HD21 1.0 1.8 4.47 2798 2087 A 68 VAL HGy% B 75 LEU HD21 1.0 1.8 4.52 2799 2088 A 68 VAL H B 75 LEU HD21 1.0 1.8 6.05 2800 2089 A 65 GLN HE2x B 76 GLU HBx 1.0 1.8 5.58 2801 2089 A 65 GLN HE2x B 76 GLU HBy 1.0 1.8 5.58 2802 2090 A 68 VAL HGx% B 76 GLU HBx 1.0 1.8 4.29 2803 2090 A 68 VAL HGx% B 76 GLU HBy 1.0 1.8 4.29 2804 2091 A 69 ASP H B 76 GLU HBx 1.0 1.8 6.05 2805 2091 A 69 ASP H B 76 GLU HBy 1.0 1.8 6.05 2806 2092 A 65 GLN HE2x B 77 HIS H 1.0 1.8 5.57 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 GLU H A 33 SER O 1.0 1.7 2.3 2 2 A 33 SER O A 10 GLU N 1.0 2.7 3.3 3 3 A 19 SER H A 27 LYS O 1.0 1.7 2.3 4 4 A 27 LYS O A 19 SER N 1.0 2.7 3.3 5 5 A 21 ASN H A 25 TRP O 1.0 1.7 2.3 6 6 A 25 TRP O A 21 ASN N 1.0 2.7 3.3 7 7 A 25 TRP H A 21 ASN O 1.0 1.7 2.3 8 8 A 21 ASN O A 25 TRP N 1.0 2.7 3.3 9 9 A 26 THR H A 46 TRP O 1.0 1.7 2.3 10 10 A 46 TRP O A 26 THR N 1.0 2.7 3.3 11 11 A 27 LYS H A 19 SER O 1.0 1.7 2.3 12 12 A 19 SER O A 27 LYS N 1.0 2.7 3.3 13 13 A 28 GLU H A 44 ARG O 1.0 1.7 2.3 14 14 A 44 ARG O A 28 GLU N 1.0 2.7 3.3 15 15 A 29 ILE H A 16 LEU O 1.0 1.7 2.3 16 16 A 16 LEU O A 29 ILE N 1.0 2.7 3.3 17 17 A 30 ASN H A 42 ASP O 1.0 1.7 2.3 18 18 A 42 ASP O A 30 ASN N 1.0 2.7 3.3 19 19 A 32 VAL H A 40 LYS O 1.0 1.7 2.3 20 20 A 40 LYS O A 32 VAL N 1.0 2.7 3.3 21 21 A 33 SER H A 10 GLU O 1.0 1.7 2.3 22 22 A 10 GLU O A 33 SER N 1.0 2.7 3.3 23 23 A 35 ASN H A 8 THR O 1.0 1.7 2.3 24 24 A 8 THR O A 35 ASN N 1.0 2.7 3.3 25 25 A 40 LYS H A 32 VAL O 1.0 1.7 2.3 26 26 A 32 VAL O A 40 LYS N 1.0 2.7 3.3 27 27 A 42 ASP H A 30 ASN O 1.0 1.7 2.3 28 28 A 30 ASN O A 42 ASP N 1.0 2.7 3.3 29 29 A 43 ILE H A 57 ILE O 1.0 1.7 2.3 30 30 A 57 ILE O A 43 ILE N 1.0 2.7 3.3 31 31 A 44 ARG H A 28 GLU O 1.0 1.7 2.3 32 32 A 28 GLU O A 44 ARG N 1.0 2.7 3.3 33 33 A 46 TRP H A 26 THR O 1.0 1.7 2.3 34 34 A 26 THR O A 46 TRP N 1.0 2.7 3.3 35 35 A 57 ILE H A 43 ILE O 1.0 1.7 2.3 36 36 A 43 ILE O A 57 ILE N 1.0 2.7 3.3 37 37 A 64 PHE H A 60 SER O 1.0 1.7 2.3 38 38 A 60 SER O A 64 PHE N 1.0 2.7 3.3 39 39 A 65 GLN H A 61 ASN O 1.0 1.7 2.3 40 40 A 61 ASN O A 65 GLN N 1.0 2.7 3.3 41 41 A 66 THR H A 62 GLU O 1.0 1.7 2.3 42 42 A 62 GLU O A 66 THR N 1.0 2.7 3.3 43 43 A 67 MET H A 63 GLU O 1.0 1.7 2.3 44 44 A 63 GLU O A 67 MET N 1.0 2.7 3.3 45 45 A 68 VAL H A 64 PHE O 1.0 1.7 2.3 46 46 A 64 PHE O A 68 VAL N 1.0 2.7 3.3 47 47 A 69 ASP H A 65 GLN O 1.0 1.7 2.3 48 48 A 65 GLN O A 69 ASP N 1.0 2.7 3.3 49 49 A 70 ALA H A 66 THR O 1.0 1.7 2.3 50 50 A 66 THR O A 70 ALA N 1.0 2.7 3.3 51 51 A 71 PHE H A 67 MET O 1.0 1.7 2.3 52 52 A 67 MET O A 71 PHE N 1.0 2.7 3.3 53 53 A 72 LYS H A 68 VAL O 1.0 1.7 2.3 54 54 A 68 VAL O A 72 LYS N 1.0 2.7 3.3 55 55 A 73 GLY H A 69 ASP O 1.0 1.7 2.3 56 56 A 69 ASP O A 73 GLY N 1.0 2.7 3.3 57 57 B 10 GLU H B 33 SER O 1.0 1.7 2.3 58 58 B 33 SER O B 10 GLU N 1.0 2.7 3.3 59 59 B 19 SER H B 27 LYS O 1.0 1.7 2.3 60 60 B 27 LYS O B 19 SER N 1.0 2.7 3.3 61 61 B 21 ASN H B 25 TRP O 1.0 1.7 2.3 62 62 B 25 TRP O B 21 ASN N 1.0 2.7 3.3 63 63 B 25 TRP H B 21 ASN O 1.0 1.7 2.3 64 64 B 21 ASN O B 25 TRP N 1.0 2.7 3.3 65 65 B 26 THR H B 46 TRP O 1.0 1.7 2.3 66 66 B 46 TRP O B 26 THR N 1.0 2.7 3.3 67 67 B 27 LYS H B 19 SER O 1.0 1.7 2.3 68 68 B 19 SER O B 27 LYS N 1.0 2.7 3.3 69 69 B 28 GLU H B 44 ARG O 1.0 1.7 2.3 70 70 B 44 ARG O B 28 GLU N 1.0 2.7 3.3 71 71 B 29 ILE H B 16 LEU O 1.0 1.7 2.3 72 72 B 16 LEU O B 29 ILE N 1.0 2.7 3.3 73 73 B 30 ASN H B 42 ASP O 1.0 1.7 2.3 74 74 B 42 ASP O B 30 ASN N 1.0 2.7 3.3 75 75 B 32 VAL H B 40 LYS O 1.0 1.7 2.3 76 76 B 40 LYS O B 32 VAL N 1.0 2.7 3.3 77 77 B 33 SER H B 10 GLU O 1.0 1.7 2.3 78 78 B 10 GLU O B 33 SER N 1.0 2.7 3.3 79 79 B 35 ASN H B 8 THR O 1.0 1.7 2.3 80 80 B 8 THR O B 35 ASN N 1.0 2.7 3.3 81 81 B 40 LYS H B 32 VAL O 1.0 1.7 2.3 82 82 B 32 VAL O B 40 LYS N 1.0 2.7 3.3 83 83 B 42 ASP H B 30 ASN O 1.0 1.7 2.3 84 84 B 30 ASN O B 42 ASP N 1.0 2.7 3.3 85 85 B 43 ILE H B 57 ILE O 1.0 1.7 2.3 86 86 B 57 ILE O B 43 ILE N 1.0 2.7 3.3 87 87 B 44 ARG H B 28 GLU O 1.0 1.7 2.3 88 88 B 28 GLU O B 44 ARG N 1.0 2.7 3.3 89 89 B 46 TRP H B 26 THR O 1.0 1.7 2.3 90 90 B 26 THR O B 46 TRP N 1.0 2.7 3.3 91 91 B 57 ILE H B 43 ILE O 1.0 1.7 2.3 92 92 B 43 ILE O B 57 ILE N 1.0 2.7 3.3 93 93 B 64 PHE H B 60 SER O 1.0 1.7 2.3 94 94 B 60 SER O B 64 PHE N 1.0 2.7 3.3 95 95 B 65 GLN H B 61 ASN O 1.0 1.7 2.3 96 96 B 61 ASN O B 65 GLN N 1.0 2.7 3.3 97 97 B 66 THR H B 62 GLU O 1.0 1.7 2.3 98 98 B 62 GLU O B 66 THR N 1.0 2.7 3.3 99 99 B 67 MET H B 63 GLU O 1.0 1.7 2.3 100 100 B 63 GLU O B 67 MET N 1.0 2.7 3.3 101 101 B 68 VAL H B 64 PHE O 1.0 1.7 2.3 102 102 B 64 PHE O B 68 VAL N 1.0 2.7 3.3 103 103 B 69 ASP H B 65 GLN O 1.0 1.7 2.3 104 104 B 65 GLN O B 69 ASP N 1.0 2.7 3.3 105 105 B 70 ALA H B 66 THR O 1.0 1.7 2.3 106 106 B 66 THR O B 70 ALA N 1.0 2.7 3.3 107 107 B 71 PHE H B 67 MET O 1.0 1.7 2.3 108 108 B 67 MET O B 71 PHE N 1.0 2.7 3.3 109 109 B 72 LYS H B 68 VAL O 1.0 1.7 2.3 110 110 B 68 VAL O B 72 LYS N 1.0 2.7 3.3 111 111 B 73 GLY H B 69 ASP O 1.0 1.7 2.3 112 112 B 69 ASP O B 73 GLY N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 PHE C A 8 THR N A 8 THR CA A 8 THR C 1.0 -132.1 -73.1 PHI 2 2 A 8 THR N A 8 THR CA A 8 THR C A 9 PHE N 1.0 119.2 160.8 PSI 3 3 A 8 THR C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -172.7 -104.1 PHI 4 4 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 GLU N 1.0 120.2 190.8 PSI 5 5 A 9 PHE C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -160.5 -92.7 PHI 6 6 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 ILE N 1.0 113.1 153.1 PSI 7 7 A 10 GLU C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -101.3 -61.3 PHI 8 8 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 GLU N 1.0 91.8 142.4 PSI 9 9 A 12 GLU C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -168.8 -120.6 PHI 10 10 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 HIS N 1.0 115.4 155.4 PSI 11 11 A 13 GLU C A 14 HIS N A 14 HIS CA A 14 HIS C 1.0 -117.9 -72.5 PHI 12 12 A 14 HIS N A 14 HIS CA A 14 HIS C A 15 LEU N 1.0 77.1 143.5 PSI 13 13 A 15 LEU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -172.8 -132.8 PHI 14 14 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 THR N 1.0 69.5 209.5 PSI 15 15 A 16 LEU C A 17 THR N A 17 THR CA A 17 THR C 1.0 -105.7 -65.7 PHI 16 16 A 17 THR N A 17 THR CA A 17 THR C A 18 LEU N 1.0 95.2 141.0 PSI 17 17 A 18 LEU C A 19 SER N A 19 SER CA A 19 SER C 1.0 -224.4 -117.4 PHI 18 18 A 19 SER N A 19 SER CA A 19 SER C A 20 GLU N 1.0 144.6 184.6 PSI 19 19 A 19 SER C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -154.6 -75.4 PHI 20 20 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 ASN N 1.0 104.3 147.9 PSI 21 21 A 20 GLU C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -114.8 -74.8 PHI 22 22 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 GLU N 1.0 125.8 217.0 PSI 23 23 A 24 GLY C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 -148.1 -8.1 PHI 24 24 A 25 TRP N A 25 TRP CA A 25 TRP C A 26 THR N 1.0 65.1 180.1 PSI 25 25 A 25 TRP C A 26 THR N A 26 THR CA A 26 THR C 1.0 -152.6 -87.4 PHI 26 26 A 26 THR N A 26 THR CA A 26 THR C A 27 LYS N 1.0 139.9 181.7 PSI 27 27 A 26 THR C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -168.0 -70.6 PHI 28 28 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 GLU N 1.0 116.3 166.1 PSI 29 29 A 27 LYS C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -169.2 -87.8 PHI 30 30 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 ILE N 1.0 132.8 196.0 PSI 31 31 A 28 GLU C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -132.0 -92.0 PHI 32 32 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 ASN N 1.0 106.5 155.1 PSI 33 33 A 29 ILE C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -167.8 -91.6 PHI 34 34 A 30 ASN N A 30 ASN CA A 30 ASN C A 31 ARG N 1.0 138.4 185.4 PSI 35 35 A 30 ASN C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -162.9 -53.5 PHI 36 36 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 VAL N 1.0 77.7 197.5 PSI 37 37 A 31 ARG C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -156.5 -76.7 PHI 38 38 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 SER N 1.0 106.8 161.0 PSI 39 39 A 32 VAL C A 33 SER N A 33 SER CA A 33 SER C 1.0 -140.7 -74.3 PHI 40 40 A 33 SER N A 33 SER CA A 33 SER C A 34 PHE N 1.0 102.5 146.7 PSI 41 41 A 33 SER C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -155.9 -88.5 PHI 42 42 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 ASN N 1.0 83.9 154.1 PSI 43 43 A 39 ALA C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -171.3 -74.9 PHI 44 44 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 PHE N 1.0 137.5 179.7 PSI 45 45 A 40 LYS C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -132.8 -36.2 PHI 46 46 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 ASP N 1.0 115.4 168.6 PSI 47 47 A 41 PHE C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -161.4 -83.8 PHI 48 48 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 ILE N 1.0 107.0 148.6 PSI 49 49 A 42 ASP C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -147.1 -91.3 PHI 50 50 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 ARG N 1.0 104.9 147.3 PSI 51 51 A 43 ILE C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -163.1 -112.7 PHI 52 52 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 ALA N 1.0 112.3 188.3 PSI 53 53 A 44 ARG C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -155.9 -91.3 PHI 54 54 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 TRP N 1.0 101.6 164.0 PSI 55 55 A 45 ALA C A 46 TRP N A 46 TRP CA A 46 TRP C 1.0 -156.7 -108.7 PHI 56 56 A 46 TRP N A 46 TRP CA A 46 TRP C A 47 SER N 1.0 125.7 187.3 PSI 57 57 A 56 GLY C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -161.5 -121.5 PHI 58 58 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 THR N 1.0 127.8 169.6 PSI 59 59 A 57 ILE C A 58 THR N A 58 THR CA A 58 THR C 1.0 -145.8 -78.0 PHI 60 60 A 58 THR N A 58 THR CA A 58 THR C A 59 LEU N 1.0 104.4 144.4 PSI 61 61 A 58 THR C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -151.0 -100.4 PHI 62 62 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 SER N 1.0 113.6 168.0 PSI 63 63 A 60 SER C A 61 ASN N A 61 ASN CA A 61 ASN C 1.0 -80.6 -40.6 PHI 64 64 A 61 ASN N A 61 ASN CA A 61 ASN C A 62 GLU N 1.0 -58.7 -18.7 PSI 65 65 A 61 ASN C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -84.8 -44.8 PHI 66 66 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 GLU N 1.0 -60.4 -20.4 PSI 67 67 A 62 GLU C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -84.2 -44.2 PHI 68 68 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 PHE N 1.0 -63.8 -23.8 PSI 69 69 A 63 GLU C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -82.0 -42.0 PHI 70 70 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 GLN N 1.0 -64.1 -24.1 PSI 71 71 A 64 PHE C A 65 GLN N A 65 GLN CA A 65 GLN C 1.0 -80.3 -40.3 PHI 72 72 A 65 GLN N A 65 GLN CA A 65 GLN C A 66 THR N 1.0 -62.1 -21.9 PSI 73 73 A 65 GLN C A 66 THR N A 66 THR CA A 66 THR C 1.0 -82.8 -42.8 PHI 74 74 A 66 THR N A 66 THR CA A 66 THR C A 67 MET N 1.0 -62.0 -22.0 PSI 75 75 A 66 THR C A 67 MET N A 67 MET CA A 67 MET C 1.0 -82.9 -42.9 PHI 76 76 A 67 MET N A 67 MET CA A 67 MET C A 68 VAL N 1.0 -66.0 -26.0 PSI 77 77 A 67 MET C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -86.5 -46.5 PHI 78 78 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 ASP N 1.0 -61.4 -19.4 PSI 79 79 A 68 VAL C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -87.1 -47.1 PHI 80 80 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 ALA N 1.0 -63.1 -3.1 PSI 81 81 A 69 ASP C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -88.4 -43.6 PHI 82 82 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 PHE N 1.0 -65.4 -5.2 PSI 83 83 A 70 ALA C A 71 PHE N A 71 PHE CA A 71 PHE C 1.0 -107.8 -37.6 PHI 84 84 A 71 PHE N A 71 PHE CA A 71 PHE C A 72 LYS N 1.0 -67.5 6.5 PSI 85 85 A 71 PHE C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -121.9 -40.7 PHI 86 86 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 GLY N 1.0 -59.2 7.8 PSI 87 87 B 7 PHE C B 8 THR N B 8 THR CA B 8 THR C 1.0 -132.1 -73.1 PHI 88 88 B 8 THR N B 8 THR CA B 8 THR C B 9 PHE N 1.0 119.2 160.8 PSI 89 89 B 8 THR C B 9 PHE N B 9 PHE CA B 9 PHE C 1.0 -172.7 -104.1 PHI 90 90 B 9 PHE N B 9 PHE CA B 9 PHE C B 10 GLU N 1.0 120.2 190.8 PSI 91 91 B 9 PHE C B 10 GLU N B 10 GLU CA B 10 GLU C 1.0 -160.5 -92.7 PHI 92 92 B 10 GLU N B 10 GLU CA B 10 GLU C B 11 ILE N 1.0 113.1 153.1 PSI 93 93 B 10 GLU C B 11 ILE N B 11 ILE CA B 11 ILE C 1.0 -101.3 -61.3 PHI 94 94 B 11 ILE N B 11 ILE CA B 11 ILE C B 12 GLU N 1.0 91.8 142.4 PSI 95 95 B 12 GLU C B 13 GLU N B 13 GLU CA B 13 GLU C 1.0 -168.8 -120.6 PHI 96 96 B 13 GLU N B 13 GLU CA B 13 GLU C B 14 HIS N 1.0 115.4 155.4 PSI 97 97 B 13 GLU C B 14 HIS N B 14 HIS CA B 14 HIS C 1.0 -117.9 -72.5 PHI 98 98 B 14 HIS N B 14 HIS CA B 14 HIS C B 15 LEU N 1.0 77.1 143.5 PSI 99 99 B 15 LEU C B 16 LEU N B 16 LEU CA B 16 LEU C 1.0 -172.8 -132.8 PHI 100 100 B 16 LEU N B 16 LEU CA B 16 LEU C B 17 THR N 1.0 69.5 209.5 PSI 101 101 B 16 LEU C B 17 THR N B 17 THR CA B 17 THR C 1.0 -105.7 -65.7 PHI 102 102 B 17 THR N B 17 THR CA B 17 THR C B 18 LEU N 1.0 95.2 141.0 PSI 103 103 B 18 LEU C B 19 SER N B 19 SER CA B 19 SER C 1.0 -224.4 -117.4 PHI 104 104 B 19 SER N B 19 SER CA B 19 SER C B 20 GLU N 1.0 144.6 184.6 PSI 105 105 B 19 SER C B 20 GLU N B 20 GLU CA B 20 GLU C 1.0 -154.6 -75.4 PHI 106 106 B 20 GLU N B 20 GLU CA B 20 GLU C B 21 ASN N 1.0 104.3 147.9 PSI 107 107 B 20 GLU C B 21 ASN N B 21 ASN CA B 21 ASN C 1.0 -114.8 -74.8 PHI 108 108 B 21 ASN N B 21 ASN CA B 21 ASN C B 22 GLU N 1.0 125.8 217.0 PSI 109 109 B 24 GLY C B 25 TRP N B 25 TRP CA B 25 TRP C 1.0 -148.1 -8.1 PHI 110 110 B 25 TRP N B 25 TRP CA B 25 TRP C B 26 THR N 1.0 65.1 180.1 PSI 111 111 B 25 TRP C B 26 THR N B 26 THR CA B 26 THR C 1.0 -152.6 -87.4 PHI 112 112 B 26 THR N B 26 THR CA B 26 THR C B 27 LYS N 1.0 139.9 181.7 PSI 113 113 B 26 THR C B 27 LYS N B 27 LYS CA B 27 LYS C 1.0 -168.0 -70.6 PHI 114 114 B 27 LYS N B 27 LYS CA B 27 LYS C B 28 GLU N 1.0 116.3 166.1 PSI 115 115 B 27 LYS C B 28 GLU N B 28 GLU CA B 28 GLU C 1.0 -169.2 -87.8 PHI 116 116 B 28 GLU N B 28 GLU CA B 28 GLU C B 29 ILE N 1.0 132.8 196.0 PSI 117 117 B 28 GLU C B 29 ILE N B 29 ILE CA B 29 ILE C 1.0 -132.0 -92.0 PHI 118 118 B 29 ILE N B 29 ILE CA B 29 ILE C B 30 ASN N 1.0 106.5 155.1 PSI 119 119 B 29 ILE C B 30 ASN N B 30 ASN CA B 30 ASN C 1.0 -167.8 -91.6 PHI 120 120 B 30 ASN N B 30 ASN CA B 30 ASN C B 31 ARG N 1.0 138.4 185.4 PSI 121 121 B 30 ASN C B 31 ARG N B 31 ARG CA B 31 ARG C 1.0 -162.9 -53.5 PHI 122 122 B 31 ARG N B 31 ARG CA B 31 ARG C B 32 VAL N 1.0 77.7 197.5 PSI 123 123 B 31 ARG C B 32 VAL N B 32 VAL CA B 32 VAL C 1.0 -156.5 -76.7 PHI 124 124 B 32 VAL N B 32 VAL CA B 32 VAL C B 33 SER N 1.0 106.8 161.0 PSI 125 125 B 32 VAL C B 33 SER N B 33 SER CA B 33 SER C 1.0 -140.7 -74.3 PHI 126 126 B 33 SER N B 33 SER CA B 33 SER C B 34 PHE N 1.0 102.5 146.7 PSI 127 127 B 33 SER C B 34 PHE N B 34 PHE CA B 34 PHE C 1.0 -155.9 -88.5 PHI 128 128 B 34 PHE N B 34 PHE CA B 34 PHE C B 35 ASN N 1.0 83.9 154.1 PSI 129 129 B 39 ALA C B 40 LYS N B 40 LYS CA B 40 LYS C 1.0 -171.3 -74.9 PHI 130 130 B 40 LYS N B 40 LYS CA B 40 LYS C B 41 PHE N 1.0 137.5 179.7 PSI 131 131 B 40 LYS C B 41 PHE N B 41 PHE CA B 41 PHE C 1.0 -132.8 -36.2 PHI 132 132 B 41 PHE N B 41 PHE CA B 41 PHE C B 42 ASP N 1.0 115.4 168.6 PSI 133 133 B 41 PHE C B 42 ASP N B 42 ASP CA B 42 ASP C 1.0 -161.4 -83.8 PHI 134 134 B 42 ASP N B 42 ASP CA B 42 ASP C B 43 ILE N 1.0 107.0 148.6 PSI 135 135 B 42 ASP C B 43 ILE N B 43 ILE CA B 43 ILE C 1.0 -147.1 -91.3 PHI 136 136 B 43 ILE N B 43 ILE CA B 43 ILE C B 44 ARG N 1.0 104.9 147.3 PSI 137 137 B 43 ILE C B 44 ARG N B 44 ARG CA B 44 ARG C 1.0 -163.1 -112.7 PHI 138 138 B 44 ARG N B 44 ARG CA B 44 ARG C B 45 ALA N 1.0 112.3 188.3 PSI 139 139 B 44 ARG C B 45 ALA N B 45 ALA CA B 45 ALA C 1.0 -155.9 -91.3 PHI 140 140 B 45 ALA N B 45 ALA CA B 45 ALA C B 46 TRP N 1.0 101.6 164.0 PSI 141 141 B 45 ALA C B 46 TRP N B 46 TRP CA B 46 TRP C 1.0 -156.7 -108.7 PHI 142 142 B 46 TRP N B 46 TRP CA B 46 TRP C B 47 SER N 1.0 125.7 187.3 PSI 143 143 B 56 GLY C B 57 ILE N B 57 ILE CA B 57 ILE C 1.0 -161.5 -121.5 PHI 144 144 B 57 ILE N B 57 ILE CA B 57 ILE C B 58 THR N 1.0 127.8 169.6 PSI 145 145 B 57 ILE C B 58 THR N B 58 THR CA B 58 THR C 1.0 -145.8 -78.0 PHI 146 146 B 58 THR N B 58 THR CA B 58 THR C B 59 LEU N 1.0 104.4 144.4 PSI 147 147 B 58 THR C B 59 LEU N B 59 LEU CA B 59 LEU C 1.0 -151.0 -100.4 PHI 148 148 B 59 LEU N B 59 LEU CA B 59 LEU C B 60 SER N 1.0 113.6 168.0 PSI 149 149 B 60 SER C B 61 ASN N B 61 ASN CA B 61 ASN C 1.0 -80.6 -40.6 PHI 150 150 B 61 ASN N B 61 ASN CA B 61 ASN C B 62 GLU N 1.0 -58.7 -18.7 PSI 151 151 B 61 ASN C B 62 GLU N B 62 GLU CA B 62 GLU C 1.0 -84.8 -44.8 PHI 152 152 B 62 GLU N B 62 GLU CA B 62 GLU C B 63 GLU N 1.0 -60.4 -20.4 PSI 153 153 B 62 GLU C B 63 GLU N B 63 GLU CA B 63 GLU C 1.0 -84.2 -44.2 PHI 154 154 B 63 GLU N B 63 GLU CA B 63 GLU C B 64 PHE N 1.0 -63.8 -23.8 PSI 155 155 B 63 GLU C B 64 PHE N B 64 PHE CA B 64 PHE C 1.0 -82.0 -42.0 PHI 156 156 B 64 PHE N B 64 PHE CA B 64 PHE C B 65 GLN N 1.0 -64.1 -24.1 PSI 157 157 B 64 PHE C B 65 GLN N B 65 GLN CA B 65 GLN C 1.0 -80.3 -40.3 PHI 158 158 B 65 GLN N B 65 GLN CA B 65 GLN C B 66 THR N 1.0 -62.1 -21.9 PSI 159 159 B 65 GLN C B 66 THR N B 66 THR CA B 66 THR C 1.0 -82.8 -42.8 PHI 160 160 B 66 THR N B 66 THR CA B 66 THR C B 67 MET N 1.0 -62.0 -22.0 PSI 161 161 B 66 THR C B 67 MET N B 67 MET CA B 67 MET C 1.0 -82.9 -42.9 PHI 162 162 B 67 MET N B 67 MET CA B 67 MET C B 68 VAL N 1.0 -66.0 -26.0 PSI 163 163 B 67 MET C B 68 VAL N B 68 VAL CA B 68 VAL C 1.0 -86.5 -46.5 PHI 164 164 B 68 VAL N B 68 VAL CA B 68 VAL C B 69 ASP N 1.0 -61.4 -19.4 PSI 165 165 B 68 VAL C B 69 ASP N B 69 ASP CA B 69 ASP C 1.0 -87.1 -47.1 PHI 166 166 B 69 ASP N B 69 ASP CA B 69 ASP C B 70 ALA N 1.0 -63.1 -3.1 PSI 167 167 B 69 ASP C B 70 ALA N B 70 ALA CA B 70 ALA C 1.0 -88.4 -43.6 PHI 168 168 B 70 ALA N B 70 ALA CA B 70 ALA C B 71 PHE N 1.0 -65.4 -5.2 PSI 169 169 B 70 ALA C B 71 PHE N B 71 PHE CA B 71 PHE C 1.0 -107.8 -37.6 PHI 170 170 B 71 PHE N B 71 PHE CA B 71 PHE C B 72 LYS N 1.0 -67.5 6.5 PSI 171 171 B 71 PHE C B 72 LYS N B 72 LYS CA B 72 LYS C 1.0 -121.9 -40.7 PHI 172 172 B 72 LYS N B 72 LYS CA B 72 LYS C B 73 GLY N 1.0 -59.2 7.8 PSI stop_ save_ save_Nnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2239.901 2 1H 10201.248 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 14108.625 2 1H 10201.248 3 1H 15243.902 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 6413.526 2 1H 10201.248 3 1H 15243.902 stop_ save_ save_4D_ccnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4D_ccnoesy.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 3121.342 2 13C 3121.342 3 1H 4197.272 4 1H 8000 stop_ save_