data_nef_c17809_2lgh 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 ILE middle . . 4 A 4 SER middle . . 5 A 5 ILE middle . . 6 A 6 GLU middle . . 7 A 7 ALA middle . . 8 A 8 HIS middle . . 9 A 9 ILE middle . . 10 A 10 GLU middle . . 11 A 11 GLN middle . . 12 A 12 GLU middle . . 13 A 13 ILE middle . . 14 A 14 GLU middle . . 15 A 15 ALA middle . . 16 A 16 VAL middle . . 17 A 17 TRP middle . . 18 A 18 TRP middle . . 19 A 19 ALA middle . . 20 A 20 TRP middle . . 21 A 21 ASN middle . . 22 A 22 ASP middle . . 23 A 23 PRO middle . false 24 A 24 ASP middle . . 25 A 25 CYS middle . . 26 A 26 ILE middle . . 27 A 27 ALA middle . . 28 A 28 ARG middle . . 29 A 29 TRP middle . . 30 A 30 ASN middle . . 31 A 31 ALA middle . . 32 A 32 ALA middle . . 33 A 33 SER middle . . 34 A 34 SER middle . . 35 A 35 ASP middle . . 36 A 36 TRP middle . . 37 A 37 HIS middle . . 38 A 38 THR middle . . 39 A 39 THR middle . . 40 A 40 GLY middle . false 41 A 41 SER middle . . 42 A 42 ARG middle . . 43 A 43 VAL middle . . 44 A 44 ASP middle . . 45 A 45 LEU middle . . 46 A 46 VAL middle . . 47 A 47 VAL middle . . 48 A 48 GLY middle . false 49 A 49 GLY middle . false 50 A 50 ARG middle . . 51 A 51 PHE middle . . 52 A 52 CYS middle . . 53 A 53 HIS middle . . 54 A 54 HIS middle . . 55 A 55 MET middle . . 56 A 56 ALA middle . . 57 A 57 ALA middle . . 58 A 58 LYS middle . . 59 A 59 ASP middle . . 60 A 60 GLY middle . false 61 A 61 SER middle . . 62 A 62 ALA middle . . 63 A 63 GLY middle . false 64 A 64 PHE middle . . 65 A 65 ASP middle . . 66 A 66 PHE middle . . 67 A 67 THR middle . . 68 A 68 GLY middle . false 69 A 69 THR middle . . 70 A 70 PHE middle . . 71 A 71 THR middle . . 72 A 72 ARG middle . . 73 A 73 VAL middle . . 74 A 74 GLU middle . . 75 A 75 ALA middle . . 76 A 76 PRO middle . true 77 A 77 THR middle . . 78 A 78 ARG middle . . 79 A 79 LEU middle . . 80 A 80 SER middle . . 81 A 81 PHE middle . . 82 A 82 VAL middle . . 83 A 83 MET middle . . 84 A 84 ASP middle . . 85 A 85 ASP middle . . 86 A 86 GLY middle . false 87 A 87 ARG middle . . 88 A 88 GLU middle . . 89 A 89 VAL middle . . 90 A 90 ASP middle . . 91 A 91 VAL middle . . 92 A 92 GLN middle . . 93 A 93 PHE middle . . 94 A 94 ALA middle . . 95 A 95 SER middle . . 96 A 96 GLU middle . . 97 A 97 PRO middle . false 98 A 98 GLY middle . false 99 A 99 GLY middle . false 100 A 100 THR middle . . 101 A 101 TRP middle . . 102 A 102 VAL middle . . 103 A 103 GLN middle . . 104 A 104 GLU middle . . 105 A 105 THR middle . . 106 A 106 PHE middle . . 107 A 107 ASP middle . . 108 A 108 ALA middle . . 109 A 109 GLU middle . . 110 A 110 THR middle . . 111 A 111 SER middle . . 112 A 112 HIS middle . . 113 A 113 THR middle . . 114 A 114 PRO middle . false 115 A 115 ALA middle . . 116 A 116 GLN middle . . 117 A 117 GLN middle . . 118 A 118 GLN middle . . 119 A 119 ALA middle . . 120 A 120 GLY middle . false 121 A 121 TRP middle . . 122 A 122 GLN middle . . 123 A 123 GLY middle . false 124 A 124 ILE middle . . 125 A 125 LEU middle . . 126 A 126 ASP middle . . 127 A 127 ASN middle . . 128 A 128 PHE middle . . 129 A 129 LYS middle . . 130 A 130 ARG middle . . 131 A 131 TYR middle . . 132 A 132 VAL middle . . 133 A 133 GLU middle . . 134 A 134 ALA middle . . 135 A 135 ALA middle . . 136 A 136 GLY middle . false 137 A 137 LEU middle . . 138 A 138 GLU middle . . 139 A 139 HIS middle . . 140 A 140 HIS middle . . 141 A 141 HIS middle . . 142 A 142 HIS middle . . 143 A 143 HIS middle . . 144 A 144 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 4.07 0.02 A 1 MET HBy H 1 2.22 0.02 A 1 MET HBx H 1 2.04 0.02 A 1 MET HE% H 1 2.04 0.02 A 1 MET HGy H 1 2.47 0.02 A 1 MET HGx H 1 2.41 0.02 A 1 MET C C 13 171.5 0.2 A 1 MET CA C 13 55.1 0.2 A 1 MET CB C 13 33.1 0.2 A 1 MET CE C 13 16.9 0.2 A 1 MET CG C 13 30.6 0.2 A 2 LYS H H 1 8.73 0.02 A 2 LYS HA H 1 4.89 0.02 A 2 LYS HBy H 1 1.59 0.02 A 2 LYS HBx H 1 1.24 0.02 A 2 LYS HDy H 1 1.48 0.02 A 2 LYS HDx H 1 1.34 0.02 A 2 LYS HEy H 1 2.92 0.02 A 2 LYS HEx H 1 2.84 0.02 A 2 LYS HGy H 1 1.40 0.02 A 2 LYS HGx H 1 1.33 0.02 A 2 LYS CA C 13 55.1 0.2 A 2 LYS CB C 13 34.6 0.2 A 2 LYS CD C 13 28.9 0.2 A 2 LYS CE C 13 42.3 0.2 A 2 LYS CG C 13 25.3 0.2 A 2 LYS N N 15 124.7 0.2 A 3 ILE H H 1 8.44 0.02 A 3 ILE HA H 1 3.89 0.02 A 3 ILE HB H 1 0.21 0.02 A 3 ILE HD1% H 1 0.72 0.02 A 3 ILE HG1y H 1 1.13 0.02 A 3 ILE HG1x H 1 0.82 0.02 A 3 ILE HG2% H 1 0.56 0.02 A 3 ILE C C 13 173.4 0.2 A 3 ILE CA C 13 60.0 0.2 A 3 ILE CB C 13 39.0 0.2 A 3 ILE CD1 C 13 14.4 0.2 A 3 ILE CG1 C 13 27.3 0.2 A 3 ILE CG2 C 13 17.8 0.2 A 3 ILE N N 15 124.0 0.2 A 4 SER H H 1 8.16 0.02 A 4 SER HA H 1 5.62 0.02 A 4 SER HBy H 1 3.72 0.02 A 4 SER HBx H 1 3.48 0.02 A 4 SER C C 13 173.4 0.2 A 4 SER CA C 13 57.0 0.2 A 4 SER CB C 13 65.5 0.2 A 4 SER N N 15 119.7 0.2 A 5 ILE H H 1 9.10 0.02 A 5 ILE HA H 1 4.87 0.02 A 5 ILE HB H 1 2.28 0.02 A 5 ILE HD1% H 1 1.03 0.02 A 5 ILE HG1y H 1 1.45 0.02 A 5 ILE HG1x H 1 1.32 0.02 A 5 ILE HG2% H 1 1.13 0.02 A 5 ILE C C 13 174.4 0.2 A 5 ILE CA C 13 60.0 0.2 A 5 ILE CB C 13 42.2 0.2 A 5 ILE CD1 C 13 14.8 0.2 A 5 ILE CG1 C 13 25.4 0.2 A 5 ILE CG2 C 13 19.4 0.2 A 5 ILE N N 15 118.4 0.2 A 6 GLU H H 1 8.80 0.02 A 6 GLU HA H 1 5.59 0.02 A 6 GLU HBy H 1 2.18 0.02 A 6 GLU HBx H 1 2.07 0.02 A 6 GLU HGx H 1 2.40 0.02 A 6 GLU HGy H 1 2.40 0.02 A 6 GLU C C 13 175.3 0.2 A 6 GLU CA C 13 54.5 0.2 A 6 GLU CB C 13 34.5 0.2 A 6 GLU CG C 13 34.6 0.2 A 6 GLU N N 15 116.9 0.2 A 7 ALA H H 1 9.00 0.02 A 7 ALA HA H 1 4.71 0.02 A 7 ALA HB% H 1 1.33 0.02 A 7 ALA C C 13 174.9 0.2 A 7 ALA CA C 13 51.9 0.2 A 7 ALA CB C 13 22.7 0.2 A 7 ALA N N 15 118.8 0.2 A 8 HIS H H 1 9.26 0.02 A 8 HIS HA H 1 5.06 0.02 A 8 HIS HBy H 1 3.21 0.02 A 8 HIS HBx H 1 3.01 0.02 A 8 HIS HD2 H 1 7.23 0.02 A 8 HIS HE1 H 1 7.36 0.02 A 8 HIS CA C 13 55.5 0.2 A 8 HIS CB C 13 29.3 0.2 A 8 HIS CD2 C 13 119.9 0.2 A 8 HIS CE1 C 13 136.1 0.2 A 8 HIS N N 15 120.7 0.2 A 9 ILE H H 1 9.64 0.02 A 9 ILE HA H 1 4.30 0.02 A 9 ILE HB H 1 1.94 0.02 A 9 ILE HD1% H 1 0.90 0.02 A 9 ILE HG1y H 1 1.68 0.02 A 9 ILE HG1x H 1 0.90 0.02 A 9 ILE HG2% H 1 0.87 0.02 A 9 ILE C C 13 176.6 0.2 A 9 ILE CA C 13 60.3 0.2 A 9 ILE CB C 13 40.1 0.2 A 9 ILE CD1 C 13 14.5 0.2 A 9 ILE CG1 C 13 27.9 0.2 A 9 ILE CG2 C 13 18.7 0.2 A 9 ILE N N 15 124.1 0.2 A 10 GLU H H 1 10.82 0.02 A 10 GLU HA H 1 4.93 0.02 A 10 GLU HBy H 1 2.14 0.02 A 10 GLU HBx H 1 1.84 0.02 A 10 GLU HGy H 1 2.27 0.02 A 10 GLU HGx H 1 2.16 0.02 A 10 GLU C C 13 174.8 0.2 A 10 GLU CA C 13 55.8 0.2 A 10 GLU CB C 13 27.1 0.2 A 10 GLU CG C 13 36.3 0.2 A 10 GLU N N 15 135.8 0.2 A 11 GLN H H 1 8.23 0.02 A 11 GLN HA H 1 4.55 0.02 A 11 GLN HBx H 1 1.69 0.02 A 11 GLN HBy H 1 1.69 0.02 A 11 GLN HE21 H 1 7.05 0.02 A 11 GLN HE22 H 1 7.82 0.02 A 11 GLN HGy H 1 2.49 0.02 A 11 GLN HGx H 1 2.34 0.02 A 11 GLN C C 13 173.7 0.2 A 11 GLN CA C 13 54.6 0.2 A 11 GLN CB C 13 33.7 0.2 A 11 GLN CD C 13 179.6 0.2 A 11 GLN CG C 13 34.5 0.2 A 11 GLN N N 15 120.3 0.2 A 11 GLN NE2 N 15 113.3 0.2 A 12 GLU H H 1 9.00 0.02 A 12 GLU HA H 1 4.30 0.02 A 12 GLU HBy H 1 2.38 0.02 A 12 GLU HBx H 1 2.18 0.02 A 12 GLU HGx H 1 2.43 0.02 A 12 GLU HGy H 1 2.43 0.02 A 12 GLU C C 13 178.3 0.2 A 12 GLU CA C 13 56.7 0.2 A 12 GLU CB C 13 30.9 0.2 A 12 GLU CG C 13 36.6 0.2 A 12 GLU N N 15 124.4 0.2 A 13 ILE H H 1 8.44 0.02 A 13 ILE HA H 1 4.13 0.02 A 13 ILE HB H 1 1.84 0.02 A 13 ILE HD1% H 1 0.82 0.02 A 13 ILE HG1y H 1 1.50 0.02 A 13 ILE HG1x H 1 1.08 0.02 A 13 ILE HG2% H 1 0.95 0.02 A 13 ILE C C 13 176.4 0.2 A 13 ILE CA C 13 66.3 0.2 A 13 ILE CB C 13 38.3 0.2 A 13 ILE CD1 C 13 15.0 0.2 A 13 ILE CG1 C 13 29.7 0.2 A 13 ILE CG2 C 13 15.7 0.2 A 13 ILE N N 15 123.8 0.2 A 14 GLU H H 1 8.82 0.02 A 14 GLU HA H 1 3.94 0.02 A 14 GLU HBy H 1 2.12 0.02 A 14 GLU HBx H 1 2.06 0.02 A 14 GLU HGx H 1 2.31 0.02 A 14 GLU HGy H 1 2.31 0.02 A 14 GLU C C 13 179.6 0.2 A 14 GLU CA C 13 61.2 0.2 A 14 GLU CB C 13 28.4 0.2 A 14 GLU CG C 13 37.4 0.2 A 14 GLU N N 15 121.2 0.2 A 15 ALA H H 1 7.40 0.02 A 15 ALA HA H 1 4.32 0.02 A 15 ALA HB% H 1 1.53 0.02 A 15 ALA C C 13 179.4 0.2 A 15 ALA CA C 13 54.8 0.2 A 15 ALA CB C 13 18.4 0.2 A 15 ALA N N 15 122.0 0.2 A 16 VAL H H 1 7.91 0.02 A 16 VAL HA H 1 3.65 0.02 A 16 VAL HB H 1 2.31 0.02 A 16 VAL HG1% H 1 1.16 0.02 A 16 VAL HG2% H 1 0.88 0.02 A 16 VAL C C 13 176.4 0.2 A 16 VAL CA C 13 67.6 0.2 A 16 VAL CB C 13 31.6 0.2 A 16 VAL CG1 C 13 22.6 0.2 A 16 VAL CG2 C 13 24.6 0.2 A 16 VAL N N 15 119.8 0.2 A 17 TRP H H 1 8.85 0.02 A 17 TRP HA H 1 3.49 0.02 A 17 TRP HBy H 1 3.13 0.02 A 17 TRP HBx H 1 3.07 0.02 A 17 TRP HD1 H 1 7.14 0.02 A 17 TRP HE1 H 1 10.22 0.02 A 17 TRP HH2 H 1 7.04 0.02 A 17 TRP HZ2 H 1 7.06 0.02 A 17 TRP C C 13 178.1 0.2 A 17 TRP CA C 13 60.9 0.2 A 17 TRP CB C 13 28.5 0.2 A 17 TRP CD1 C 13 127.5 0.2 A 17 TRP CH2 C 13 124.2 0.2 A 17 TRP CZ2 C 13 113.4 0.2 A 17 TRP N N 15 119.6 0.2 A 17 TRP NE1 N 15 130.6 0.2 A 18 TRP H H 1 7.99 0.02 A 18 TRP HA H 1 4.19 0.02 A 18 TRP HBx H 1 3.50 0.02 A 18 TRP HBy H 1 3.50 0.02 A 18 TRP HD1 H 1 7.36 0.02 A 18 TRP HE1 H 1 10.08 0.02 A 18 TRP HE3 H 1 7.73 0.02 A 18 TRP HH2 H 1 7.10 0.02 A 18 TRP HZ2 H 1 7.39 0.02 A 18 TRP HZ3 H 1 7.10 0.02 A 18 TRP C C 13 178.0 0.2 A 18 TRP CA C 13 61.2 0.2 A 18 TRP CB C 13 28.2 0.2 A 18 TRP CD1 C 13 127.3 0.2 A 18 TRP CE3 C 13 120.4 0.2 A 18 TRP CH2 C 13 124.5 0.2 A 18 TRP CZ2 C 13 114.8 0.2 A 18 TRP CZ3 C 13 122.2 0.2 A 18 TRP N N 15 117.2 0.2 A 18 TRP NE1 N 15 129.6 0.2 A 19 ALA H H 1 8.30 0.02 A 19 ALA HA H 1 3.98 0.02 A 19 ALA HB% H 1 1.71 0.02 A 19 ALA C C 13 178.6 0.2 A 19 ALA CA C 13 54.6 0.2 A 19 ALA CB C 13 19.5 0.2 A 19 ALA N N 15 119.4 0.2 A 20 TRP H H 1 8.43 0.02 A 20 TRP HA H 1 3.79 0.02 A 20 TRP HBy H 1 2.99 0.02 A 20 TRP HBx H 1 2.67 0.02 A 20 TRP HD1 H 1 6.51 0.02 A 20 TRP HE1 H 1 8.93 0.02 A 20 TRP HH2 H 1 6.71 0.02 A 20 TRP HZ2 H 1 7.18 0.02 A 20 TRP HZ3 H 1 5.77 0.02 A 20 TRP C C 13 174.5 0.2 A 20 TRP CA C 13 59.1 0.2 A 20 TRP CB C 13 29.1 0.2 A 20 TRP CD1 C 13 126.6 0.2 A 20 TRP CH2 C 13 123.3 0.2 A 20 TRP CZ2 C 13 113.6 0.2 A 20 TRP CZ3 C 13 121.4 0.2 A 20 TRP N N 15 117.7 0.2 A 20 TRP NE1 N 15 124.8 0.2 A 21 ASN H H 1 6.57 0.02 A 21 ASN HA H 1 4.57 0.02 A 21 ASN HBy H 1 2.38 0.02 A 21 ASN HBx H 1 2.05 0.02 A 21 ASN HD2x H 1 5.15 0.02 A 21 ASN HD2y H 1 5.15 0.02 A 21 ASN C C 13 174.4 0.2 A 21 ASN CA C 13 53.5 0.2 A 21 ASN CB C 13 42.0 0.2 A 21 ASN N N 15 108.3 0.2 A 21 ASN ND2 N 15 105.8 0.2 A 22 ASP H H 1 7.13 0.02 A 22 ASP HA H 1 4.73 0.02 A 22 ASP HBy H 1 2.06 0.02 A 22 ASP HBx H 1 1.73 0.02 A 22 ASP CA C 13 51.8 0.2 A 22 ASP CB C 13 43.1 0.2 A 22 ASP N N 15 121.9 0.2 A 23 PRO HA H 1 3.92 0.02 A 23 PRO HBx H 1 1.99 0.02 A 23 PRO HBy H 1 2.20 0.02 A 23 PRO HDy H 1 4.16 0.02 A 23 PRO HDx H 1 3.86 0.02 A 23 PRO HGy H 1 2.26 0.02 A 23 PRO HGx H 1 1.81 0.02 A 23 PRO C C 13 177.6 0.2 A 23 PRO CA C 13 65.9 0.2 A 23 PRO CB C 13 32.8 0.2 A 23 PRO CD C 13 51.2 0.2 A 23 PRO CG C 13 27.6 0.2 A 24 ASP H H 1 7.97 0.02 A 24 ASP HA H 1 4.36 0.02 A 24 ASP HBy H 1 2.88 0.02 A 24 ASP HBx H 1 2.64 0.02 A 24 ASP C C 13 178.5 0.2 A 24 ASP CA C 13 57.4 0.2 A 24 ASP CB C 13 40.4 0.2 A 24 ASP N N 15 117.4 0.2 A 25 CYS H H 1 7.90 0.02 A 25 CYS HA H 1 4.01 0.02 A 25 CYS HBy H 1 3.43 0.02 A 25 CYS HBx H 1 2.80 0.02 A 25 CYS C C 13 176.3 0.2 A 25 CYS CA C 13 62.9 0.2 A 25 CYS CB C 13 28.1 0.2 A 25 CYS N N 15 118.8 0.2 A 26 ILE H H 1 8.40 0.02 A 26 ILE HA H 1 3.94 0.02 A 26 ILE HB H 1 1.07 0.02 A 26 ILE HD1% H 1 0.19 0.02 A 26 ILE HG1y H 1 1.16 0.02 A 26 ILE HG1x H 1 0.19 0.02 A 26 ILE HG2% H 1 -0.57 0.02 A 26 ILE C C 13 176.8 0.2 A 26 ILE CB C 13 38.0 0.2 A 26 ILE CD1 C 13 14.3 0.2 A 26 ILE CG1 C 13 28.8 0.2 A 26 ILE CG2 C 13 16.3 0.2 A 26 ILE N N 15 122.4 0.2 A 27 ALA H H 1 7.14 0.02 A 27 ALA HA H 1 3.60 0.02 A 27 ALA HB% H 1 1.26 0.02 A 27 ALA C C 13 178.3 0.2 A 27 ALA CA C 13 54.1 0.2 A 27 ALA CB C 13 17.9 0.2 A 27 ALA N N 15 116.5 0.2 A 28 ARG H H 1 7.39 0.02 A 28 ARG HA H 1 4.22 0.02 A 28 ARG HBy H 1 1.75 0.02 A 28 ARG HBx H 1 1.65 0.02 A 28 ARG HDy H 1 3.33 0.02 A 28 ARG HDx H 1 3.20 0.02 A 28 ARG HE H 1 7.22 0.02 A 28 ARG HGy H 1 1.81 0.02 A 28 ARG HGx H 1 1.69 0.02 A 28 ARG C C 13 177.9 0.2 A 28 ARG CA C 13 56.9 0.2 A 28 ARG CB C 13 30.9 0.2 A 28 ARG CD C 13 43.3 0.2 A 28 ARG CG C 13 27.2 0.2 A 28 ARG CZ C 13 159.5 0.2 A 28 ARG N N 15 114.8 0.2 A 28 ARG NE N 15 85.2 0.2 A 29 TRP H H 1 7.30 0.02 A 29 TRP HA H 1 4.67 0.02 A 29 TRP HBy H 1 3.36 0.02 A 29 TRP HBx H 1 2.59 0.02 A 29 TRP HD1 H 1 6.32 0.02 A 29 TRP HE1 H 1 9.39 0.02 A 29 TRP HE3 H 1 6.35 0.02 A 29 TRP HZ2 H 1 6.87 0.02 A 29 TRP HZ3 H 1 7.18 0.02 A 29 TRP C C 13 173.7 0.2 A 29 TRP CA C 13 56.8 0.2 A 29 TRP CB C 13 31.2 0.2 A 29 TRP CD1 C 13 129.0 0.2 A 29 TRP CE3 C 13 122.2 0.2 A 29 TRP CZ2 C 13 115.5 0.2 A 29 TRP CZ3 C 13 119.9 0.2 A 29 TRP N N 15 114.1 0.2 A 29 TRP NE1 N 15 126.6 0.2 A 30 ASN H H 1 7.76 0.02 A 30 ASN HA H 1 4.39 0.02 A 30 ASN HBx H 1 2.38 0.02 A 30 ASN HBy H 1 2.38 0.02 A 30 ASN HD21 H 1 6.88 0.02 A 30 ASN HD22 H 1 7.53 0.02 A 30 ASN C C 13 173.7 0.2 A 30 ASN CA C 13 54.4 0.2 A 30 ASN CG C 13 180.2 0.2 A 30 ASN N N 15 121.6 0.2 A 30 ASN ND2 N 15 112.1 0.2 A 31 ALA H H 1 8.06 0.02 A 31 ALA HA H 1 4.12 0.02 A 31 ALA HB% H 1 1.31 0.02 A 31 ALA C C 13 176.3 0.2 A 31 ALA CA C 13 52.2 0.2 A 31 ALA CB C 13 21.3 0.2 A 31 ALA N N 15 126.6 0.2 A 32 ALA H H 1 8.55 0.02 A 32 ALA HA H 1 3.98 0.02 A 32 ALA HB% H 1 1.16 0.02 A 32 ALA C C 13 176.5 0.2 A 32 ALA CA C 13 52.8 0.2 A 32 ALA CB C 13 19.2 0.2 A 32 ALA N N 15 122.9 0.2 A 33 SER H H 1 7.59 0.02 A 33 SER HA H 1 4.58 0.02 A 33 SER HBy H 1 4.08 0.02 A 33 SER HBx H 1 3.86 0.02 A 33 SER C C 13 174.8 0.2 A 33 SER CA C 13 56.9 0.2 A 33 SER CB C 13 64.7 0.2 A 33 SER N N 15 109.7 0.2 A 34 SER H H 1 8.77 0.02 A 34 SER HA H 1 4.45 0.02 A 34 SER HBy H 1 4.07 0.02 A 34 SER HBx H 1 3.96 0.02 A 34 SER C C 13 173.9 0.2 A 34 SER CA C 13 60.1 0.2 A 34 SER CB C 13 63.2 0.2 A 34 SER N N 15 115.7 0.2 A 35 ASP H H 1 8.39 0.02 A 35 ASP HA H 1 4.69 0.02 A 35 ASP HBx H 1 2.69 0.02 A 35 ASP HBy H 1 2.69 0.02 A 35 ASP C C 13 175.1 0.2 A 35 ASP CA C 13 54.5 0.2 A 35 ASP CB C 13 40.8 0.2 A 35 ASP N N 15 118.2 0.2 A 36 TRP H H 1 8.02 0.02 A 36 TRP HA H 1 5.07 0.02 A 36 TRP HBy H 1 3.29 0.02 A 36 TRP HBx H 1 2.99 0.02 A 36 TRP HD1 H 1 7.11 0.02 A 36 TRP HE1 H 1 10.27 0.02 A 36 TRP HE3 H 1 7.21 0.02 A 36 TRP HH2 H 1 7.04 0.02 A 36 TRP HZ2 H 1 7.43 0.02 A 36 TRP HZ3 H 1 6.67 0.02 A 36 TRP C C 13 173.7 0.2 A 36 TRP CA C 13 57.1 0.2 A 36 TRP CB C 13 32.8 0.2 A 36 TRP CD1 C 13 126.4 0.2 A 36 TRP CE3 C 13 120.2 0.2 A 36 TRP CH2 C 13 124.1 0.2 A 36 TRP CZ2 C 13 114.8 0.2 A 36 TRP CZ3 C 13 121.6 0.2 A 36 TRP N N 15 122.5 0.2 A 36 TRP NE1 N 15 130.5 0.2 A 37 HIS H H 1 9.16 0.02 A 37 HIS HA H 1 4.94 0.02 A 37 HIS HBx H 1 3.28 0.02 A 37 HIS HBy H 1 3.28 0.02 A 37 HIS HD2 H 1 7.10 0.02 A 37 HIS CA C 13 54.2 0.2 A 37 HIS CB C 13 32.4 0.2 A 37 HIS CD2 C 13 118.5 0.2 A 37 HIS N N 15 113.2 0.2 A 38 THR H H 1 8.77 0.02 A 38 THR HA H 1 5.12 0.02 A 38 THR HB H 1 3.91 0.02 A 38 THR HG2% H 1 0.96 0.02 A 38 THR C C 13 174.8 0.2 A 38 THR CA C 13 62.7 0.2 A 38 THR CB C 13 69.6 0.2 A 38 THR CG2 C 13 22.1 0.2 A 38 THR N N 15 120.0 0.2 A 39 THR H H 1 8.84 0.02 A 39 THR HA H 1 4.20 0.02 A 39 THR HB H 1 4.23 0.02 A 39 THR HG2% H 1 0.73 0.02 A 39 THR C C 13 175.0 0.2 A 39 THR CA C 13 61.6 0.2 A 39 THR CB C 13 68.8 0.2 A 39 THR CG2 C 13 21.5 0.2 A 39 THR N N 15 116.3 0.2 A 40 GLY H H 1 7.47 0.02 A 40 GLY HAy H 1 4.06 0.02 A 40 GLY HAx H 1 3.97 0.02 A 40 GLY C C 13 171.7 0.2 A 40 GLY CA C 13 45.9 0.2 A 40 GLY N N 15 109.4 0.2 A 41 SER H H 1 8.25 0.02 A 41 SER HA H 1 5.40 0.02 A 41 SER HBy H 1 3.48 0.02 A 41 SER HBx H 1 3.42 0.02 A 41 SER C C 13 173.2 0.2 A 41 SER CA C 13 58.5 0.2 A 41 SER CB C 13 65.4 0.2 A 41 SER N N 15 117.6 0.2 A 42 ARG H H 1 8.29 0.02 A 42 ARG HA H 1 4.56 0.02 A 42 ARG HBy H 1 1.73 0.02 A 42 ARG HBx H 1 1.68 0.02 A 42 ARG HDx H 1 3.14 0.02 A 42 ARG HDy H 1 3.14 0.02 A 42 ARG HGy H 1 1.80 0.02 A 42 ARG HGx H 1 1.72 0.02 A 42 ARG C C 13 174.6 0.2 A 42 ARG CA C 13 55.3 0.2 A 42 ARG CB C 13 33.0 0.2 A 42 ARG CD C 13 42.9 0.2 A 42 ARG CG C 13 30.2 0.2 A 42 ARG N N 15 125.4 0.2 A 43 VAL H H 1 8.86 0.02 A 43 VAL HA H 1 4.20 0.02 A 43 VAL HB H 1 2.01 0.02 A 43 VAL HG1% H 1 1.09 0.02 A 43 VAL HG2% H 1 0.91 0.02 A 43 VAL C C 13 173.5 0.2 A 43 VAL CA C 13 62.8 0.2 A 43 VAL CB C 13 36.9 0.2 A 43 VAL CG1 C 13 22.1 0.2 A 43 VAL CG2 C 13 21.6 0.2 A 43 VAL N N 15 123.0 0.2 A 44 ASP H H 1 7.95 0.02 A 44 ASP HA H 1 5.02 0.02 A 44 ASP HBy H 1 3.27 0.02 A 44 ASP HBx H 1 2.70 0.02 A 44 ASP C C 13 174.8 0.2 A 44 ASP CA C 13 52.7 0.2 A 44 ASP CB C 13 40.5 0.2 A 44 ASP N N 15 129.0 0.2 A 45 LEU H H 1 8.23 0.02 A 45 LEU HA H 1 3.94 0.02 A 45 LEU HBy H 1 2.02 0.02 A 45 LEU HBx H 1 0.90 0.02 A 45 LEU HD1% H 1 -0.04 0.02 A 45 LEU HD2% H 1 0.75 0.02 A 45 LEU HG H 1 1.33 0.02 A 45 LEU C C 13 174.0 0.2 A 45 LEU CA C 13 54.1 0.2 A 45 LEU CB C 13 40.8 0.2 A 45 LEU CD1 C 13 23.0 0.2 A 45 LEU CD2 C 13 26.0 0.2 A 45 LEU CG C 13 26.9 0.2 A 45 LEU N N 15 125.3 0.2 A 46 VAL H H 1 8.70 0.02 A 46 VAL HA H 1 4.47 0.02 A 46 VAL HB H 1 2.18 0.02 A 46 VAL HG1% H 1 0.86 0.02 A 46 VAL HG2% H 1 0.81 0.02 A 46 VAL C C 13 175.4 0.2 A 46 VAL CA C 13 59.3 0.2 A 46 VAL CB C 13 35.9 0.2 A 46 VAL CG1 C 13 21.3 0.2 A 46 VAL CG2 C 13 19.0 0.2 A 46 VAL N N 15 121.8 0.2 A 47 VAL H H 1 8.88 0.02 A 47 VAL HA H 1 3.44 0.02 A 47 VAL HB H 1 2.04 0.02 A 47 VAL HG1% H 1 0.99 0.02 A 47 VAL HG2% H 1 1.10 0.02 A 47 VAL CA C 13 67.0 0.2 A 47 VAL CB C 13 30.8 0.2 A 47 VAL CG1 C 13 21.5 0.2 A 47 VAL CG2 C 13 23.8 0.2 A 47 VAL N N 15 125.5 0.2 A 48 GLY H H 1 9.10 0.02 A 48 GLY HAy H 1 4.46 0.02 A 48 GLY HAx H 1 3.64 0.02 A 48 GLY C C 13 174.2 0.2 A 48 GLY CA C 13 45.3 0.2 A 48 GLY N N 15 118.0 0.2 A 49 GLY H H 1 9.17 0.02 A 49 GLY HAy H 1 4.47 0.02 A 49 GLY HAx H 1 4.31 0.02 A 49 GLY C C 13 172.1 0.2 A 49 GLY CA C 13 44.4 0.2 A 49 GLY N N 15 111.9 0.2 A 50 ARG H H 1 8.77 0.02 A 50 ARG HA H 1 5.26 0.02 A 50 ARG HBy H 1 1.70 0.02 A 50 ARG HBx H 1 1.62 0.02 A 50 ARG HDy H 1 3.14 0.02 A 50 ARG HDx H 1 2.98 0.02 A 50 ARG HE H 1 6.85 0.02 A 50 ARG HGy H 1 1.66 0.02 A 50 ARG HGx H 1 1.59 0.02 A 50 ARG C C 13 177.4 0.2 A 50 ARG CA C 13 53.7 0.2 A 50 ARG CB C 13 32.9 0.2 A 50 ARG CD C 13 42.2 0.2 A 50 ARG CG C 13 26.8 0.2 A 50 ARG CZ C 13 159.8 0.2 A 50 ARG N N 15 119.2 0.2 A 50 ARG NE N 15 82.9 0.2 A 51 PHE H H 1 7.52 0.02 A 51 PHE HA H 1 5.32 0.02 A 51 PHE HBy H 1 2.75 0.02 A 51 PHE HBx H 1 2.69 0.02 A 51 PHE HDx H 1 5.76 0.02 A 51 PHE HDy H 1 5.76 0.02 A 51 PHE HEx H 1 6.98 0.02 A 51 PHE HEy H 1 6.98 0.02 A 51 PHE C C 13 174.2 0.2 A 51 PHE CA C 13 54.6 0.2 A 51 PHE CB C 13 42.8 0.2 A 51 PHE CDx C 13 132.4 0.2 A 51 PHE CDy C 13 132.4 0.2 A 51 PHE N N 15 115.3 0.2 A 52 CYS H H 1 8.71 0.02 A 52 CYS HA H 1 4.45 0.02 A 52 CYS HBx H 1 2.52 0.02 A 52 CYS HBy H 1 2.52 0.02 A 52 CYS C C 13 172.1 0.2 A 52 CYS CA C 13 58.2 0.2 A 52 CYS CB C 13 28.4 0.2 A 52 CYS N N 15 120.7 0.2 A 53 HIS H H 1 9.16 0.02 A 53 HIS HA H 1 5.40 0.02 A 53 HIS HBy H 1 2.99 0.02 A 53 HIS HBx H 1 2.69 0.02 A 53 HIS HD2 H 1 6.54 0.02 A 53 HIS HE1 H 1 7.06 0.02 A 53 HIS C C 13 174.9 0.2 A 53 HIS CA C 13 53.6 0.2 A 53 HIS CB C 13 32.7 0.2 A 53 HIS CD2 C 13 117.9 0.2 A 53 HIS CE1 C 13 138.5 0.2 A 53 HIS N N 15 129.7 0.2 A 54 HIS H H 1 8.93 0.02 A 54 HIS HA H 1 5.05 0.02 A 54 HIS HBy H 1 3.11 0.02 A 54 HIS HBx H 1 3.06 0.02 A 54 HIS HD2 H 1 7.00 0.02 A 54 HIS C C 13 172.8 0.2 A 54 HIS CA C 13 55.6 0.2 A 54 HIS CB C 13 28.1 0.2 A 54 HIS CD2 C 13 121.1 0.2 A 54 HIS N N 15 124.1 0.2 A 55 MET H H 1 8.59 0.02 A 55 MET HA H 1 4.88 0.02 A 55 MET HE% H 1 1.56 0.02 A 55 MET HGy H 1 2.25 0.02 A 55 MET HGx H 1 2.18 0.02 A 55 MET C C 13 174.3 0.2 A 55 MET CA C 13 54.5 0.2 A 55 MET CB C 13 33.3 0.2 A 55 MET CE C 13 16.2 0.2 A 55 MET CG C 13 31.6 0.2 A 55 MET N N 15 127.2 0.2 A 56 ALA H H 1 9.04 0.02 A 56 ALA HA H 1 4.59 0.02 A 56 ALA HB% H 1 1.21 0.02 A 56 ALA C C 13 175.7 0.2 A 56 ALA CA C 13 51.3 0.2 A 56 ALA CB C 13 23.1 0.2 A 56 ALA N N 15 123.9 0.2 A 57 ALA H H 1 7.37 0.02 A 57 ALA HA H 1 3.36 0.02 A 57 ALA HB% H 1 0.92 0.02 A 57 ALA C C 13 180.1 0.2 A 57 ALA CA C 13 51.2 0.2 A 57 ALA CB C 13 19.2 0.2 A 57 ALA N N 15 123.6 0.2 A 58 LYS H H 1 8.66 0.02 A 58 LYS HA H 1 3.56 0.02 A 58 LYS HBy H 1 1.62 0.02 A 58 LYS HBx H 1 1.49 0.02 A 58 LYS HDy H 1 1.51 0.02 A 58 LYS HDx H 1 1.45 0.02 A 58 LYS HEx H 1 2.69 0.02 A 58 LYS HEy H 1 2.69 0.02 A 58 LYS HGy H 1 0.80 0.02 A 58 LYS HGx H 1 0.39 0.02 A 58 LYS C C 13 176.8 0.2 A 58 LYS CA C 13 59.5 0.2 A 58 LYS CB C 13 32.2 0.2 A 58 LYS CD C 13 29.4 0.2 A 58 LYS CE C 13 41.9 0.2 A 58 LYS CG C 13 26.0 0.2 A 58 LYS N N 15 124.9 0.2 A 59 ASP H H 1 8.05 0.02 A 59 ASP HA H 1 4.43 0.02 A 59 ASP HBy H 1 3.02 0.02 A 59 ASP HBx H 1 2.53 0.02 A 59 ASP C C 13 177.6 0.2 A 59 ASP CA C 13 53.3 0.2 A 59 ASP CB C 13 39.7 0.2 A 59 ASP N N 15 115.9 0.2 A 60 GLY H H 1 7.99 0.02 A 60 GLY HAy H 1 4.12 0.02 A 60 GLY HAx H 1 3.74 0.02 A 60 GLY C C 13 175.5 0.2 A 60 GLY CA C 13 45.6 0.2 A 60 GLY N N 15 107.4 0.2 A 61 SER H H 1 8.18 0.02 A 61 SER HA H 1 4.08 0.02 A 61 SER HBy H 1 3.91 0.02 A 61 SER HBx H 1 3.77 0.02 A 61 SER C C 13 173.8 0.2 A 61 SER CA C 13 60.2 0.2 A 61 SER CB C 13 63.7 0.2 A 61 SER N N 15 115.0 0.2 A 62 ALA H H 1 7.29 0.02 A 62 ALA HA H 1 4.61 0.02 A 62 ALA HB% H 1 1.56 0.02 A 62 ALA C C 13 176.5 0.2 A 62 ALA CA C 13 52.1 0.2 A 62 ALA CB C 13 22.2 0.2 A 62 ALA N N 15 121.6 0.2 A 63 GLY H H 1 8.41 0.02 A 63 GLY HAy H 1 4.58 0.02 A 63 GLY HAx H 1 4.12 0.02 A 63 GLY C C 13 171.8 0.2 A 63 GLY CA C 13 46.1 0.2 A 63 GLY N N 15 107.9 0.2 A 64 PHE H H 1 8.74 0.02 A 64 PHE HA H 1 4.88 0.02 A 64 PHE HBy H 1 3.28 0.02 A 64 PHE HBx H 1 3.07 0.02 A 64 PHE HDx H 1 7.00 0.02 A 64 PHE HDy H 1 7.00 0.02 A 64 PHE HEx H 1 6.70 0.02 A 64 PHE HEy H 1 6.70 0.02 A 64 PHE C C 13 172.1 0.2 A 64 PHE CA C 13 56.8 0.2 A 64 PHE CB C 13 40.8 0.2 A 64 PHE CDx C 13 132.2 0.2 A 64 PHE CDy C 13 132.2 0.2 A 64 PHE N N 15 117.2 0.2 A 65 ASP H H 1 8.65 0.02 A 65 ASP HA H 1 5.33 0.02 A 65 ASP HBy H 1 2.54 0.02 A 65 ASP HBx H 1 2.42 0.02 A 65 ASP C C 13 174.6 0.2 A 65 ASP CA C 13 53.5 0.2 A 65 ASP CB C 13 42.3 0.2 A 65 ASP N N 15 119.8 0.2 A 66 PHE H H 1 9.09 0.02 A 66 PHE HA H 1 5.15 0.02 A 66 PHE HBy H 1 3.36 0.02 A 66 PHE HBx H 1 3.10 0.02 A 66 PHE HDx H 1 7.31 0.02 A 66 PHE HDy H 1 7.31 0.02 A 66 PHE C C 13 173.9 0.2 A 66 PHE CA C 13 55.7 0.2 A 66 PHE CB C 13 40.1 0.2 A 66 PHE CDx C 13 131.3 0.2 A 66 PHE CDy C 13 131.3 0.2 A 66 PHE N N 15 128.2 0.2 A 67 THR H H 1 8.15 0.02 A 67 THR HA H 1 4.31 0.02 A 67 THR HB H 1 3.82 0.02 A 67 THR HG2% H 1 0.98 0.02 A 67 THR C C 13 171.3 0.2 A 67 THR CA C 13 58.6 0.2 A 67 THR CB C 13 71.8 0.2 A 67 THR CG2 C 13 20.3 0.2 A 67 THR N N 15 119.6 0.2 A 68 GLY H H 1 5.74 0.02 A 68 GLY HAy H 1 3.81 0.02 A 68 GLY HAx H 1 3.36 0.02 A 68 GLY C C 13 170.1 0.2 A 68 GLY CA C 13 46.0 0.2 A 68 GLY N N 15 107.2 0.2 A 69 THR H H 1 8.21 0.02 A 69 THR HA H 1 4.99 0.02 A 69 THR HB H 1 3.80 0.02 A 69 THR HG2% H 1 1.13 0.02 A 69 THR C C 13 175.0 0.2 A 69 THR CA C 13 60.7 0.2 A 69 THR CB C 13 71.4 0.2 A 69 THR CG2 C 13 20.8 0.2 A 69 THR N N 15 113.9 0.2 A 70 PHE H H 1 9.41 0.02 A 70 PHE HA H 1 5.13 0.02 A 70 PHE HBy H 1 3.64 0.02 A 70 PHE HBx H 1 3.05 0.02 A 70 PHE HDx H 1 7.66 0.02 A 70 PHE HDy H 1 7.66 0.02 A 70 PHE HEx H 1 6.99 0.02 A 70 PHE HEy H 1 6.99 0.02 A 70 PHE HZ H 1 6.91 0.02 A 70 PHE C C 13 177.8 0.2 A 70 PHE CA C 13 60.6 0.2 A 70 PHE CB C 13 39.4 0.2 A 70 PHE CDx C 13 132.7 0.2 A 70 PHE CDy C 13 132.7 0.2 A 70 PHE CEx C 13 131.0 0.2 A 70 PHE CEy C 13 131.0 0.2 A 70 PHE CZ C 13 129.8 0.2 A 70 PHE N N 15 124.5 0.2 A 71 THR H H 1 9.73 0.02 A 71 THR HA H 1 4.63 0.02 A 71 THR HB H 1 4.37 0.02 A 71 THR HG2% H 1 1.30 0.02 A 71 THR C C 13 175.2 0.2 A 71 THR CA C 13 61.7 0.2 A 71 THR CB C 13 69.7 0.2 A 71 THR CG2 C 13 22.8 0.2 A 71 THR N N 15 115.9 0.2 A 72 ARG H H 1 7.87 0.02 A 72 ARG HA H 1 4.55 0.02 A 72 ARG HBy H 1 1.95 0.02 A 72 ARG HBx H 1 1.72 0.02 A 72 ARG HDy H 1 3.15 0.02 A 72 ARG HDx H 1 3.02 0.02 A 72 ARG HE H 1 7.29 0.02 A 72 ARG HGy H 1 1.71 0.02 A 72 ARG HGx H 1 1.36 0.02 A 72 ARG C C 13 174.6 0.2 A 72 ARG CA C 13 57.4 0.2 A 72 ARG CB C 13 33.7 0.2 A 72 ARG CD C 13 43.6 0.2 A 72 ARG CG C 13 27.6 0.2 A 72 ARG CZ C 13 159.5 0.2 A 72 ARG N N 15 122.9 0.2 A 72 ARG NE N 15 83.2 0.2 A 73 VAL H H 1 8.81 0.02 A 73 VAL HA H 1 4.45 0.02 A 73 VAL HB H 1 2.14 0.02 A 73 VAL HG1% H 1 0.97 0.02 A 73 VAL HG2% H 1 0.59 0.02 A 73 VAL C C 13 173.8 0.2 A 73 VAL CA C 13 63.2 0.2 A 73 VAL CB C 13 34.4 0.2 A 73 VAL CG1 C 13 21.4 0.2 A 73 VAL CG2 C 13 20.2 0.2 A 73 VAL N N 15 125.5 0.2 A 74 GLU H H 1 9.20 0.02 A 74 GLU HA H 1 4.64 0.02 A 74 GLU HBy H 1 1.99 0.02 A 74 GLU HBx H 1 1.91 0.02 A 74 GLU HGy H 1 2.25 0.02 A 74 GLU HGx H 1 2.04 0.02 A 74 GLU C C 13 173.7 0.2 A 74 GLU CA C 13 53.1 0.2 A 74 GLU CB C 13 30.0 0.2 A 74 GLU CG C 13 35.3 0.2 A 74 GLU N N 15 130.5 0.2 A 75 ALA H H 1 8.49 0.02 A 75 ALA HA H 1 2.10 0.02 A 75 ALA HB% H 1 0.62 0.02 A 75 ALA CA C 13 50.3 0.2 A 75 ALA CB C 13 17.6 0.2 A 75 ALA N N 15 126.6 0.2 A 76 PRO HA H 1 2.64 0.02 A 76 PRO HBx H 1 1.29 0.02 A 76 PRO HBy H 1 2.24 0.02 A 76 PRO HDx H 1 3.26 0.02 A 76 PRO HDy H 1 3.26 0.02 A 76 PRO HGy H 1 1.77 0.02 A 76 PRO HGx H 1 1.38 0.02 A 76 PRO C C 13 171.4 0.2 A 76 PRO CA C 13 64.1 0.2 A 76 PRO CB C 13 31.2 0.2 A 76 PRO CD C 13 48.8 0.2 A 76 PRO CG C 13 23.7 0.2 A 77 THR H H 1 7.80 0.02 A 77 THR HA H 1 4.98 0.02 A 77 THR HB H 1 4.45 0.02 A 77 THR HG2% H 1 1.14 0.02 A 77 THR C C 13 177.0 0.2 A 77 THR CA C 13 62.9 0.2 A 77 THR CB C 13 71.4 0.2 A 77 THR CG2 C 13 22.2 0.2 A 77 THR N N 15 105.4 0.2 A 78 ARG H H 1 8.67 0.02 A 78 ARG HA H 1 5.55 0.02 A 78 ARG HBy H 1 1.90 0.02 A 78 ARG HBx H 1 1.84 0.02 A 78 ARG HDy H 1 3.15 0.02 A 78 ARG HDx H 1 3.02 0.02 A 78 ARG HE H 1 8.46 0.02 A 78 ARG HGy H 1 1.68 0.02 A 78 ARG HGx H 1 1.50 0.02 A 78 ARG C C 13 172.9 0.2 A 78 ARG CA C 13 56.5 0.2 A 78 ARG CB C 13 34.8 0.2 A 78 ARG CD C 13 44.0 0.2 A 78 ARG CG C 13 27.4 0.2 A 78 ARG CZ C 13 159.6 0.2 A 78 ARG N N 15 124.9 0.2 A 78 ARG NE N 15 83.2 0.2 A 79 LEU H H 1 9.30 0.02 A 79 LEU HA H 1 5.27 0.02 A 79 LEU HBy H 1 2.08 0.02 A 79 LEU HBx H 1 1.85 0.02 A 79 LEU HD1% H 1 1.14 0.02 A 79 LEU HD2% H 1 1.08 0.02 A 79 LEU C C 13 174.9 0.2 A 79 LEU CA C 13 53.9 0.2 A 79 LEU CB C 13 47.9 0.2 A 79 LEU CD1 C 13 25.6 0.2 A 79 LEU CD2 C 13 27.5 0.2 A 79 LEU N N 15 127.9 0.2 A 80 SER H H 1 9.50 0.02 A 80 SER HA H 1 5.94 0.02 A 80 SER HBy H 1 4.23 0.02 A 80 SER HBx H 1 3.75 0.02 A 80 SER C C 13 174.1 0.2 A 80 SER CA C 13 57.1 0.2 A 80 SER CB C 13 65.0 0.2 A 80 SER N N 15 118.6 0.2 A 81 PHE H H 1 9.34 0.02 A 81 PHE HA H 1 5.66 0.02 A 81 PHE HBy H 1 3.37 0.02 A 81 PHE HBx H 1 2.86 0.02 A 81 PHE HDx H 1 6.93 0.02 A 81 PHE HDy H 1 6.93 0.02 A 81 PHE HEx H 1 7.47 0.02 A 81 PHE HEy H 1 7.47 0.02 A 81 PHE CA C 13 56.2 0.2 A 81 PHE CB C 13 42.8 0.2 A 81 PHE CDx C 13 132.6 0.2 A 81 PHE CDy C 13 132.6 0.2 A 81 PHE CEx C 13 132.0 0.2 A 81 PHE CEy C 13 132.0 0.2 A 81 PHE N N 15 120.1 0.2 A 82 VAL H H 1 9.10 0.02 A 82 VAL HA H 1 5.24 0.02 A 82 VAL HB H 1 2.01 0.02 A 82 VAL HG1% H 1 1.04 0.02 A 82 VAL HG2% H 1 1.07 0.02 A 82 VAL C C 13 177.0 0.2 A 82 VAL CA C 13 59.2 0.2 A 82 VAL CB C 13 34.9 0.2 A 82 VAL CG1 C 13 20.0 0.2 A 82 VAL CG2 C 13 21.3 0.2 A 82 VAL N N 15 118.1 0.2 A 83 MET H H 1 9.69 0.02 A 83 MET HA H 1 4.90 0.02 A 83 MET HBy H 1 2.97 0.02 A 83 MET HBx H 1 2.85 0.02 A 83 MET HE% H 1 2.24 0.02 A 83 MET HGy H 1 2.72 0.02 A 83 MET HGx H 1 2.60 0.02 A 83 MET C C 13 177.9 0.2 A 83 MET CA C 13 56.4 0.2 A 83 MET CB C 13 33.8 0.2 A 83 MET CE C 13 17.3 0.2 A 83 MET N N 15 128.3 0.2 A 84 ASP H H 1 8.68 0.02 A 84 ASP HA H 1 4.48 0.02 A 84 ASP HBy H 1 2.80 0.02 A 84 ASP HBx H 1 2.58 0.02 A 84 ASP C C 13 175.9 0.2 A 84 ASP CA C 13 57.3 0.2 A 84 ASP CB C 13 39.6 0.2 A 84 ASP N N 15 121.9 0.2 A 85 ASP H H 1 7.84 0.02 A 85 ASP HA H 1 4.60 0.02 A 85 ASP HBy H 1 3.18 0.02 A 85 ASP HBx H 1 2.66 0.02 A 85 ASP C C 13 177.3 0.2 A 85 ASP CA C 13 53.3 0.2 A 85 ASP CB C 13 40.2 0.2 A 85 ASP N N 15 116.9 0.2 A 86 GLY H H 1 8.27 0.02 A 86 GLY HAy H 1 4.36 0.02 A 86 GLY HAx H 1 3.60 0.02 A 86 GLY C C 13 174.7 0.2 A 86 GLY CA C 13 45.0 0.2 A 86 GLY N N 15 108.6 0.2 A 87 ARG H H 1 7.95 0.02 A 87 ARG HA H 1 4.35 0.02 A 87 ARG HBy H 1 2.48 0.02 A 87 ARG HBx H 1 1.63 0.02 A 87 ARG HDy H 1 3.32 0.02 A 87 ARG HDx H 1 3.18 0.02 A 87 ARG HE H 1 8.80 0.02 A 87 ARG HGy H 1 1.83 0.02 A 87 ARG HGx H 1 1.51 0.02 A 87 ARG C C 13 175.3 0.2 A 87 ARG CA C 13 58.1 0.2 A 87 ARG CB C 13 31.9 0.2 A 87 ARG CD C 13 44.2 0.2 A 87 ARG CG C 13 28.0 0.2 A 87 ARG CZ C 13 159.9 0.2 A 87 ARG N N 15 120.5 0.2 A 87 ARG NE N 15 86.6 0.2 A 88 GLU H H 1 9.46 0.02 A 88 GLU HA H 1 4.88 0.02 A 88 GLU HBy H 1 1.99 0.02 A 88 GLU HBx H 1 1.87 0.02 A 88 GLU HGy H 1 2.41 0.02 A 88 GLU HGx H 1 2.13 0.02 A 88 GLU C C 13 176.2 0.2 A 88 GLU CA C 13 55.8 0.2 A 88 GLU CB C 13 32.3 0.2 A 88 GLU CG C 13 37.2 0.2 A 88 GLU N N 15 123.9 0.2 A 89 VAL H H 1 8.59 0.02 A 89 VAL HA H 1 4.59 0.02 A 89 VAL HB H 1 0.08 0.02 A 89 VAL HG1% H 1 0.79 0.02 A 89 VAL HG2% H 1 0.92 0.02 A 89 VAL C C 13 173.6 0.2 A 89 VAL CA C 13 61.4 0.2 A 89 VAL CB C 13 33.9 0.2 A 89 VAL CG1 C 13 22.3 0.2 A 89 VAL CG2 C 13 22.5 0.2 A 89 VAL N N 15 122.3 0.2 A 90 ASP H H 1 8.97 0.02 A 90 ASP HA H 1 5.31 0.02 A 90 ASP HBy H 1 2.55 0.02 A 90 ASP HBx H 1 2.46 0.02 A 90 ASP C C 13 174.0 0.2 A 90 ASP CA C 13 53.4 0.2 A 90 ASP CB C 13 45.4 0.2 A 90 ASP N N 15 126.4 0.2 A 91 VAL H H 1 9.74 0.02 A 91 VAL HA H 1 4.54 0.02 A 91 VAL HB H 1 1.96 0.02 A 91 VAL HG1% H 1 -0.40 0.02 A 91 VAL HG2% H 1 0.93 0.02 A 91 VAL C C 13 174.0 0.2 A 91 VAL CA C 13 61.5 0.2 A 91 VAL CB C 13 33.1 0.2 A 91 VAL CG1 C 13 22.3 0.2 A 91 VAL CG2 C 13 20.9 0.2 A 91 VAL N N 15 128.1 0.2 A 92 GLN H H 1 8.64 0.02 A 92 GLN HA H 1 5.08 0.02 A 92 GLN HBy H 1 1.92 0.02 A 92 GLN HBx H 1 1.57 0.02 A 92 GLN HE21 H 1 6.61 0.02 A 92 GLN HE22 H 1 7.48 0.02 A 92 GLN HGy H 1 2.18 0.02 A 92 GLN HGx H 1 2.08 0.02 A 92 GLN C C 13 173.4 0.2 A 92 GLN CA C 13 53.9 0.2 A 92 GLN CB C 13 32.4 0.2 A 92 GLN CD C 13 180.0 0.2 A 92 GLN CG C 13 34.3 0.2 A 92 GLN N N 15 124.8 0.2 A 92 GLN NE2 N 15 110.9 0.2 A 93 PHE H H 1 9.20 0.02 A 93 PHE HA H 1 5.22 0.02 A 93 PHE HBy H 1 3.72 0.02 A 93 PHE HBx H 1 2.68 0.02 A 93 PHE HDx H 1 6.91 0.02 A 93 PHE HDy H 1 6.91 0.02 A 93 PHE HEx H 1 6.48 0.02 A 93 PHE HEy H 1 6.48 0.02 A 93 PHE HZ H 1 5.49 0.02 A 93 PHE C C 13 175.5 0.2 A 93 PHE CA C 13 55.4 0.2 A 93 PHE CB C 13 41.6 0.2 A 93 PHE CDx C 13 132.1 0.2 A 93 PHE CDy C 13 132.1 0.2 A 93 PHE CEx C 13 130.0 0.2 A 93 PHE CEy C 13 130.0 0.2 A 93 PHE CZ C 13 129.1 0.2 A 93 PHE N N 15 123.2 0.2 A 94 ALA H H 1 9.09 0.02 A 94 ALA HA H 1 4.99 0.02 A 94 ALA HB% H 1 1.62 0.02 A 94 ALA C C 13 176.6 0.2 A 94 ALA CA C 13 50.9 0.2 A 94 ALA CB C 13 23.0 0.2 A 94 ALA N N 15 123.3 0.2 A 95 SER H H 1 9.04 0.02 A 95 SER HA H 1 4.85 0.02 A 95 SER HBy H 1 4.05 0.02 A 95 SER HBx H 1 3.87 0.02 A 95 SER C C 13 173.1 0.2 A 95 SER CA C 13 60.2 0.2 A 95 SER CB C 13 63.7 0.2 A 95 SER N N 15 120.3 0.2 A 96 GLU H H 1 8.89 0.02 A 96 GLU HA H 1 5.04 0.02 A 96 GLU HBy H 1 2.16 0.02 A 96 GLU HBx H 1 2.03 0.02 A 96 GLU HGy H 1 2.17 0.02 A 96 GLU HGx H 1 1.88 0.02 A 96 GLU CA C 13 53.5 0.2 A 96 GLU CB C 13 29.4 0.2 A 96 GLU CG C 13 33.2 0.2 A 96 GLU N N 15 123.7 0.2 A 97 PRO HA H 1 4.31 0.02 A 97 PRO HBx H 1 1.87 0.02 A 97 PRO HBy H 1 2.30 0.02 A 97 PRO HDy H 1 3.84 0.02 A 97 PRO HDx H 1 3.62 0.02 A 97 PRO HGy H 1 2.14 0.02 A 97 PRO HGx H 1 1.95 0.02 A 97 PRO C C 13 178.1 0.2 A 97 PRO CA C 13 65.5 0.2 A 97 PRO CB C 13 30.9 0.2 A 97 PRO CD C 13 50.3 0.2 A 97 PRO CG C 13 28.0 0.2 A 98 GLY H H 1 8.74 0.02 A 98 GLY HAy H 1 4.08 0.02 A 98 GLY HAx H 1 3.85 0.02 A 98 GLY C C 13 174.8 0.2 A 98 GLY CA C 13 45.4 0.2 A 98 GLY N N 15 110.7 0.2 A 99 GLY H H 1 8.21 0.02 A 99 GLY HAy H 1 5.00 0.02 A 99 GLY HAx H 1 3.71 0.02 A 99 GLY C C 13 172.6 0.2 A 99 GLY CA C 13 47.7 0.2 A 99 GLY N N 15 108.7 0.2 A 100 THR H H 1 9.63 0.02 A 100 THR HA H 1 5.18 0.02 A 100 THR HB H 1 3.80 0.02 A 100 THR HG2% H 1 1.29 0.02 A 100 THR C C 13 171.5 0.2 A 100 THR CA C 13 63.0 0.2 A 100 THR CB C 13 73.0 0.2 A 100 THR CG2 C 13 21.9 0.2 A 100 THR N N 15 123.9 0.2 A 101 TRP H H 1 10.00 0.02 A 101 TRP HA H 1 5.14 0.02 A 101 TRP HBy H 1 3.37 0.02 A 101 TRP HBx H 1 3.06 0.02 A 101 TRP HD1 H 1 6.25 0.02 A 101 TRP HE1 H 1 10.34 0.02 A 101 TRP HE3 H 1 7.45 0.02 A 101 TRP HH2 H 1 7.08 0.02 A 101 TRP HZ2 H 1 7.34 0.02 A 101 TRP HZ3 H 1 7.00 0.02 A 101 TRP C C 13 174.9 0.2 A 101 TRP CA C 13 54.4 0.2 A 101 TRP CB C 13 30.2 0.2 A 101 TRP CD1 C 13 123.7 0.2 A 101 TRP CE3 C 13 120.5 0.2 A 101 TRP CH2 C 13 125.0 0.2 A 101 TRP CZ2 C 13 114.7 0.2 A 101 TRP CZ3 C 13 121.9 0.2 A 101 TRP N N 15 130.6 0.2 A 101 TRP NE1 N 15 129.5 0.2 A 102 VAL H H 1 8.90 0.02 A 102 VAL HA H 1 4.55 0.02 A 102 VAL HB H 1 1.65 0.02 A 102 VAL HG1% H 1 0.12 0.02 A 102 VAL HG2% H 1 0.74 0.02 A 102 VAL C C 13 173.5 0.2 A 102 VAL CA C 13 60.5 0.2 A 102 VAL CB C 13 34.0 0.2 A 102 VAL CG1 C 13 20.5 0.2 A 102 VAL CG2 C 13 22.4 0.2 A 102 VAL N N 15 128.9 0.2 A 103 GLN H H 1 8.28 0.02 A 103 GLN HA H 1 4.78 0.02 A 103 GLN HBy H 1 1.56 0.02 A 103 GLN HBx H 1 1.09 0.02 A 103 GLN HE21 H 1 6.21 0.02 A 103 GLN HE22 H 1 6.59 0.02 A 103 GLN HGy H 1 1.61 0.02 A 103 GLN HGx H 1 1.41 0.02 A 103 GLN C C 13 174.1 0.2 A 103 GLN CA C 13 54.0 0.2 A 103 GLN CB C 13 33.5 0.2 A 103 GLN CD C 13 179.9 0.2 A 103 GLN CG C 13 34.3 0.2 A 103 GLN N N 15 123.8 0.2 A 103 GLN NE2 N 15 110.5 0.2 A 104 GLU H H 1 8.88 0.02 A 104 GLU HA H 1 5.33 0.02 A 104 GLU HBy H 1 2.09 0.02 A 104 GLU HBx H 1 1.62 0.02 A 104 GLU HGy H 1 2.16 0.02 A 104 GLU HGx H 1 2.09 0.02 A 104 GLU C C 13 173.7 0.2 A 104 GLU CA C 13 54.1 0.2 A 104 GLU CB C 13 32.5 0.2 A 104 GLU CG C 13 34.0 0.2 A 104 GLU N N 15 125.4 0.2 A 105 THR H H 1 9.15 0.02 A 105 THR HA H 1 5.46 0.02 A 105 THR HB H 1 3.82 0.02 A 105 THR HG2% H 1 1.02 0.02 A 105 THR C C 13 173.2 0.2 A 105 THR CA C 13 60.8 0.2 A 105 THR CB C 13 71.3 0.2 A 105 THR CG2 C 13 21.9 0.2 A 105 THR N N 15 122.0 0.2 A 106 PHE H H 1 8.91 0.02 A 106 PHE HA H 1 5.56 0.02 A 106 PHE HBx H 1 2.40 0.02 A 106 PHE HBy H 1 2.40 0.02 A 106 PHE HDx H 1 6.25 0.02 A 106 PHE HDy H 1 6.25 0.02 A 106 PHE HEx H 1 6.43 0.02 A 106 PHE HEy H 1 6.43 0.02 A 106 PHE C C 13 173.8 0.2 A 106 PHE CA C 13 54.0 0.2 A 106 PHE CB C 13 43.7 0.2 A 106 PHE CDx C 13 132.2 0.2 A 106 PHE CDy C 13 132.2 0.2 A 106 PHE CEx C 13 128.3 0.2 A 106 PHE CEy C 13 128.3 0.2 A 106 PHE N N 15 123.3 0.2 A 107 ASP H H 1 7.68 0.02 A 107 ASP HA H 1 4.87 0.02 A 107 ASP HBy H 1 2.73 0.02 A 107 ASP HBx H 1 2.41 0.02 A 107 ASP C C 13 175.5 0.2 A 107 ASP CA C 13 54.7 0.2 A 107 ASP CB C 13 42.2 0.2 A 107 ASP N N 15 119.1 0.2 A 108 ALA H H 1 8.65 0.02 A 108 ALA HA H 1 4.48 0.02 A 108 ALA HB% H 1 1.37 0.02 A 108 ALA C C 13 179.0 0.2 A 108 ALA CA C 13 52.0 0.2 A 108 ALA CB C 13 19.5 0.2 A 108 ALA N N 15 125.9 0.2 A 109 GLU H H 1 9.46 0.02 A 109 GLU HA H 1 4.94 0.02 A 109 GLU HBy H 1 2.56 0.02 A 109 GLU HBx H 1 1.99 0.02 A 109 GLU HGy H 1 2.55 0.02 A 109 GLU HGx H 1 2.48 0.02 A 109 GLU C C 13 178.1 0.2 A 109 GLU CA C 13 54.6 0.2 A 109 GLU CB C 13 29.7 0.2 A 109 GLU CG C 13 33.8 0.2 A 109 GLU N N 15 120.6 0.2 A 110 THR H H 1 8.48 0.02 A 110 THR HA H 1 4.52 0.02 A 110 THR HB H 1 4.54 0.02 A 110 THR HG2% H 1 1.24 0.02 A 110 THR C C 13 175.9 0.2 A 110 THR CA C 13 62.7 0.2 A 110 THR CB C 13 69.1 0.2 A 110 THR CG2 C 13 21.6 0.2 A 110 THR N N 15 108.5 0.2 A 111 SER H H 1 8.72 0.02 A 111 SER HA H 1 4.36 0.02 A 111 SER HBy H 1 3.71 0.02 A 111 SER HBx H 1 3.63 0.02 A 111 SER C C 13 173.8 0.2 A 111 SER CA C 13 60.0 0.2 A 111 SER CB C 13 63.7 0.2 A 111 SER N N 15 118.8 0.2 A 112 HIS H H 1 8.09 0.02 A 112 HIS HA H 1 4.98 0.02 A 112 HIS HBy H 1 3.49 0.02 A 112 HIS HBx H 1 2.78 0.02 A 112 HIS C C 13 175.0 0.2 A 112 HIS CA C 13 55.1 0.2 A 112 HIS CB C 13 31.5 0.2 A 112 HIS N N 15 118.1 0.2 A 113 THR H H 1 9.02 0.02 A 113 THR HA H 1 4.63 0.02 A 113 THR HB H 1 4.74 0.02 A 113 THR HG2% H 1 1.44 0.02 A 113 THR CA C 13 61.0 0.2 A 113 THR CB C 13 68.3 0.2 A 113 THR CG2 C 13 22.1 0.2 A 113 THR N N 15 114.4 0.2 A 114 PRO HA H 1 4.16 0.02 A 114 PRO HBx H 1 2.07 0.02 A 114 PRO HBy H 1 2.26 0.02 A 114 PRO HDy H 1 4.05 0.02 A 114 PRO HDx H 1 3.98 0.02 A 114 PRO HGy H 1 2.26 0.02 A 114 PRO HGx H 1 1.95 0.02 A 114 PRO C C 13 178.2 0.2 A 114 PRO CA C 13 66.2 0.2 A 114 PRO CB C 13 31.8 0.2 A 114 PRO CD C 13 50.7 0.2 A 114 PRO CG C 13 28.5 0.2 A 115 ALA H H 1 8.25 0.02 A 115 ALA HA H 1 4.19 0.02 A 115 ALA HB% H 1 1.47 0.02 A 115 ALA C C 13 181.2 0.2 A 115 ALA CA C 13 55.4 0.2 A 115 ALA CB C 13 18.5 0.2 A 115 ALA N N 15 118.2 0.2 A 116 GLN H H 1 7.98 0.02 A 116 GLN HA H 1 4.10 0.02 A 116 GLN HBy H 1 2.39 0.02 A 116 GLN HBx H 1 2.09 0.02 A 116 GLN HE2x H 1 6.88 0.02 A 116 GLN HE2y H 1 7.53 0.02 A 116 GLN HGy H 1 2.54 0.02 A 116 GLN HGx H 1 2.46 0.02 A 116 GLN C C 13 179.8 0.2 A 116 GLN CA C 13 58.9 0.2 A 116 GLN CB C 13 28.6 0.2 A 116 GLN CD C 13 180.2 0.2 A 116 GLN CG C 13 34.3 0.2 A 116 GLN N N 15 118.8 0.2 A 116 GLN NE2 N 15 111.4 0.2 A 117 GLN H H 1 7.97 0.02 A 117 GLN HA H 1 4.38 0.02 A 117 GLN HBy H 1 2.38 0.02 A 117 GLN HBx H 1 2.26 0.02 A 117 GLN HE21 H 1 7.84 0.02 A 117 GLN HE22 H 1 6.40 0.02 A 117 GLN HGx H 1 2.53 0.02 A 117 GLN HGy H 1 2.53 0.02 A 117 GLN C C 13 177.7 0.2 A 117 GLN CA C 13 59.1 0.2 A 117 GLN CB C 13 30.2 0.2 A 117 GLN CD C 13 180.3 0.2 A 117 GLN CG C 13 35.8 0.2 A 117 GLN N N 15 119.3 0.2 A 117 GLN NE2 N 15 115.1 0.2 A 118 GLN H H 1 9.18 0.02 A 118 GLN HA H 1 3.91 0.02 A 118 GLN HBx H 1 2.24 0.02 A 118 GLN HBy H 1 2.24 0.02 A 118 GLN HE21 H 1 6.88 0.02 A 118 GLN HE22 H 1 7.68 0.02 A 118 GLN HGy H 1 2.50 0.02 A 118 GLN HGx H 1 2.24 0.02 A 118 GLN C C 13 177.0 0.2 A 118 GLN CA C 13 60.8 0.2 A 118 GLN CB C 13 28.6 0.2 A 118 GLN CD C 13 179.0 0.2 A 118 GLN CG C 13 33.6 0.2 A 118 GLN N N 15 120.7 0.2 A 118 GLN NE2 N 15 111.5 0.2 A 119 ALA H H 1 7.84 0.02 A 119 ALA HA H 1 4.34 0.02 A 119 ALA HB% H 1 1.53 0.02 A 119 ALA C C 13 181.5 0.2 A 119 ALA CA C 13 55.0 0.2 A 119 ALA CB C 13 18.1 0.2 A 119 ALA N N 15 118.2 0.2 A 120 GLY H H 1 8.15 0.02 A 120 GLY HAy H 1 3.94 0.02 A 120 GLY HAx H 1 3.87 0.02 A 120 GLY C C 13 176.2 0.2 A 120 GLY CA C 13 47.2 0.2 A 120 GLY N N 15 107.9 0.2 A 121 TRP H H 1 8.61 0.02 A 121 TRP HA H 1 4.09 0.02 A 121 TRP HBy H 1 3.10 0.02 A 121 TRP HBx H 1 2.92 0.02 A 121 TRP HD1 H 1 7.40 0.02 A 121 TRP HE1 H 1 10.11 0.02 A 121 TRP HZ2 H 1 7.09 0.02 A 121 TRP C C 13 179.9 0.2 A 121 TRP CA C 13 61.4 0.2 A 121 TRP CB C 13 28.1 0.2 A 121 TRP CD1 C 13 127.9 0.2 A 121 TRP CZ2 C 13 113.3 0.2 A 121 TRP N N 15 122.4 0.2 A 121 TRP NE1 N 15 130.3 0.2 A 122 GLN H H 1 9.18 0.02 A 122 GLN HA H 1 3.99 0.02 A 122 GLN HBy H 1 2.60 0.02 A 122 GLN HBx H 1 2.28 0.02 A 122 GLN HE21 H 1 6.95 0.02 A 122 GLN HE22 H 1 8.32 0.02 A 122 GLN HGy H 1 2.62 0.02 A 122 GLN HGx H 1 2.47 0.02 A 122 GLN C C 13 177.5 0.2 A 122 GLN CA C 13 58.7 0.2 A 122 GLN CB C 13 29.6 0.2 A 122 GLN CD C 13 180.7 0.2 A 122 GLN CG C 13 33.3 0.2 A 122 GLN N N 15 121.7 0.2 A 122 GLN NE2 N 15 114.7 0.2 A 123 GLY H H 1 8.22 0.02 A 123 GLY HAx H 1 4.05 0.02 A 123 GLY HAy H 1 4.05 0.02 A 123 GLY C C 13 176.8 0.2 A 123 GLY CA C 13 47.2 0.2 A 123 GLY N N 15 106.2 0.2 A 124 ILE H H 1 7.28 0.02 A 124 ILE HA H 1 3.93 0.02 A 124 ILE HB H 1 1.81 0.02 A 124 ILE HD1% H 1 0.41 0.02 A 124 ILE HG1y H 1 1.52 0.02 A 124 ILE HG1x H 1 0.78 0.02 A 124 ILE HG2% H 1 1.09 0.02 A 124 ILE C C 13 177.4 0.2 A 124 ILE CA C 13 65.0 0.2 A 124 ILE CB C 13 38.0 0.2 A 124 ILE CD1 C 13 12.6 0.2 A 124 ILE CG1 C 13 28.6 0.2 A 124 ILE CG2 C 13 18.3 0.2 A 124 ILE N N 15 121.9 0.2 A 125 LEU H H 1 7.82 0.02 A 125 LEU HA H 1 4.22 0.02 A 125 LEU HBy H 1 2.05 0.02 A 125 LEU HBx H 1 1.67 0.02 A 125 LEU HD1% H 1 0.99 0.02 A 125 LEU HD2% H 1 0.74 0.02 A 125 LEU HG H 1 1.67 0.02 A 125 LEU C C 13 178.6 0.2 A 125 LEU CA C 13 58.1 0.2 A 125 LEU CB C 13 41.5 0.2 A 125 LEU CD1 C 13 23.2 0.2 A 125 LEU CD2 C 13 25.2 0.2 A 125 LEU CG C 13 26.8 0.2 A 125 LEU N N 15 122.6 0.2 A 126 ASP H H 1 9.38 0.02 A 126 ASP HA H 1 4.50 0.02 A 126 ASP HBy H 1 2.94 0.02 A 126 ASP HBx H 1 2.72 0.02 A 126 ASP C C 13 179.5 0.2 A 126 ASP CA C 13 57.2 0.2 A 126 ASP CB C 13 39.8 0.2 A 126 ASP N N 15 119.8 0.2 A 127 ASN H H 1 8.05 0.02 A 127 ASN HA H 1 4.75 0.02 A 127 ASN HBy H 1 3.45 0.02 A 127 ASN HBx H 1 3.35 0.02 A 127 ASN HD21 H 1 7.12 0.02 A 127 ASN HD22 H 1 8.22 0.02 A 127 ASN C C 13 178.5 0.2 A 127 ASN CA C 13 56.3 0.2 A 127 ASN CB C 13 38.9 0.2 A 127 ASN CG C 13 176.9 0.2 A 127 ASN N N 15 122.2 0.2 A 127 ASN ND2 N 15 114.1 0.2 A 128 PHE H H 1 8.86 0.02 A 128 PHE HA H 1 3.82 0.02 A 128 PHE HBy H 1 3.22 0.02 A 128 PHE HBx H 1 2.38 0.02 A 128 PHE HDx H 1 5.66 0.02 A 128 PHE HDy H 1 5.66 0.02 A 128 PHE HEx H 1 6.77 0.02 A 128 PHE HEy H 1 6.77 0.02 A 128 PHE C C 13 175.9 0.2 A 128 PHE CA C 13 61.6 0.2 A 128 PHE CB C 13 37.3 0.2 A 128 PHE CDx C 13 131.9 0.2 A 128 PHE CDy C 13 131.9 0.2 A 128 PHE CEx C 13 130.1 0.2 A 128 PHE CEy C 13 130.1 0.2 A 128 PHE N N 15 123.4 0.2 A 129 LYS H H 1 8.44 0.02 A 129 LYS HA H 1 3.48 0.02 A 129 LYS HBy H 1 2.29 0.02 A 129 LYS HBx H 1 1.58 0.02 A 129 LYS HDy H 1 1.81 0.02 A 129 LYS HDx H 1 1.71 0.02 A 129 LYS HEy H 1 3.33 0.02 A 129 LYS HEx H 1 3.12 0.02 A 129 LYS HGy H 1 1.58 0.02 A 129 LYS HGx H 1 1.09 0.02 A 129 LYS C C 13 176.6 0.2 A 129 LYS CA C 13 59.9 0.2 A 129 LYS CB C 13 33.0 0.2 A 129 LYS CD C 13 30.1 0.2 A 129 LYS CE C 13 43.0 0.2 A 129 LYS CG C 13 25.2 0.2 A 129 LYS N N 15 119.7 0.2 A 130 ARG H H 1 7.83 0.02 A 130 ARG HA H 1 4.05 0.02 A 130 ARG HBy H 1 2.04 0.02 A 130 ARG HBx H 1 1.94 0.02 A 130 ARG HDy H 1 3.39 0.02 A 130 ARG HDx H 1 3.30 0.02 A 130 ARG HE H 1 7.39 0.02 A 130 ARG HGy H 1 1.92 0.02 A 130 ARG HGx H 1 1.71 0.02 A 130 ARG C C 13 179.2 0.2 A 130 ARG CA C 13 59.2 0.2 A 130 ARG CB C 13 30.6 0.2 A 130 ARG CD C 13 43.6 0.2 A 130 ARG CG C 13 28.2 0.2 A 130 ARG CZ C 13 159.5 0.2 A 130 ARG N N 15 115.6 0.2 A 130 ARG NE N 15 84.0 0.2 A 131 TYR H H 1 8.28 0.02 A 131 TYR HA H 1 4.12 0.02 A 131 TYR HBy H 1 3.34 0.02 A 131 TYR HBx H 1 3.04 0.02 A 131 TYR HDx H 1 7.00 0.02 A 131 TYR HDy H 1 7.00 0.02 A 131 TYR HEx H 1 6.84 0.02 A 131 TYR HEy H 1 6.84 0.02 A 131 TYR C C 13 177.7 0.2 A 131 TYR CA C 13 61.6 0.2 A 131 TYR CB C 13 38.9 0.2 A 131 TYR CDx C 13 133.4 0.2 A 131 TYR CDy C 13 133.4 0.2 A 131 TYR CEx C 13 118.4 0.2 A 131 TYR CEy C 13 118.4 0.2 A 131 TYR N N 15 119.9 0.2 A 132 VAL H H 1 8.50 0.02 A 132 VAL HA H 1 3.31 0.02 A 132 VAL HB H 1 1.52 0.02 A 132 VAL HG1% H 1 0.56 0.02 A 132 VAL HG2% H 1 0.53 0.02 A 132 VAL C C 13 178.1 0.2 A 132 VAL CA C 13 65.2 0.2 A 132 VAL CB C 13 31.6 0.2 A 132 VAL CG1 C 13 22.7 0.2 A 132 VAL CG2 C 13 23.5 0.2 A 132 VAL N N 15 117.5 0.2 A 133 GLU H H 1 7.84 0.02 A 133 GLU HA H 1 3.92 0.02 A 133 GLU HBy H 1 2.06 0.02 A 133 GLU HBx H 1 1.98 0.02 A 133 GLU HGy H 1 2.66 0.02 A 133 GLU HGx H 1 2.07 0.02 A 133 GLU C C 13 177.5 0.2 A 133 GLU CA C 13 58.5 0.2 A 133 GLU CB C 13 29.0 0.2 A 133 GLU CG C 13 38.1 0.2 A 133 GLU N N 15 118.2 0.2 A 134 ALA H H 1 7.36 0.02 A 134 ALA HA H 1 4.38 0.02 A 134 ALA HB% H 1 1.43 0.02 A 134 ALA C C 13 178.6 0.2 A 134 ALA CA C 13 53.0 0.2 A 134 ALA CB C 13 19.1 0.2 A 134 ALA N N 15 120.9 0.2 A 135 ALA H H 1 7.72 0.02 A 135 ALA HA H 1 4.11 0.02 A 135 ALA HB% H 1 1.15 0.02 A 135 ALA C C 13 178.7 0.2 A 135 ALA CA C 13 53.5 0.2 A 135 ALA CB C 13 18.6 0.2 A 135 ALA N N 15 121.3 0.2 A 136 GLY H H 1 8.14 0.02 A 136 GLY HAx H 1 3.90 0.02 A 136 GLY HAy H 1 3.90 0.02 A 136 GLY C C 13 175.0 0.2 A 136 GLY CA C 13 46.2 0.2 A 136 GLY N N 15 107.0 0.2 A 137 LEU H H 1 7.98 0.02 A 137 LEU HA H 1 4.22 0.02 A 137 LEU HBy H 1 1.68 0.02 A 137 LEU HBx H 1 1.58 0.02 A 137 LEU HD1% H 1 0.97 0.02 A 137 LEU HD2% H 1 0.90 0.02 A 137 LEU HG H 1 1.66 0.02 A 137 LEU C C 13 177.7 0.2 A 137 LEU CA C 13 55.6 0.2 A 137 LEU CB C 13 42.0 0.2 A 137 LEU CD1 C 13 25.5 0.2 A 137 LEU CD2 C 13 23.5 0.2 A 137 LEU CG C 13 26.9 0.2 A 137 LEU N N 15 120.6 0.2 A 138 GLU H H 1 8.46 0.02 A 138 GLU HA H 1 4.12 0.02 A 138 GLU HBx H 1 1.90 0.02 A 138 GLU HBy H 1 1.90 0.02 A 138 GLU HGy H 1 2.22 0.02 A 138 GLU HGx H 1 2.09 0.02 A 138 GLU C C 13 176.5 0.2 A 138 GLU CA C 13 57.2 0.2 A 138 GLU CB C 13 29.8 0.2 A 138 GLU CG C 13 36.0 0.2 A 138 GLU N N 15 120.5 0.2 A 139 HIS H H 1 8.14 0.02 A 139 HIS HA H 1 4.44 0.02 A 139 HIS HBy H 1 3.03 0.02 A 139 HIS HBx H 1 2.94 0.02 A 139 HIS HD2 H 1 6.95 0.02 A 139 HIS CA C 13 56.0 0.2 A 139 HIS CB C 13 29.8 0.2 A 139 HIS N N 15 118.3 0.2 A 143 HIS HA H 1 4.59 0.02 A 143 HIS HBx H 1 3.10 0.02 A 143 HIS HBy H 1 3.10 0.02 A 143 HIS C C 13 173.8 0.2 A 143 HIS CA C 13 55.7 0.2 A 143 HIS CB C 13 30.0 0.2 A 144 HIS H H 1 8.18 0.02 A 144 HIS HA H 1 4.44 0.02 A 144 HIS HBy H 1 3.18 0.02 A 144 HIS HBx H 1 3.08 0.02 A 144 HIS CA C 13 57.2 0.2 A 144 HIS CB C 13 30.1 0.2 A 144 HIS N N 15 125.3 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 1 MET HGx 1.0 1.8 3.74 2 1 A 1 MET HA A 1 MET HGy 1.0 1.8 3.74 3 2 A 1 MET HA A 108 ALA HB% 1.0 1.8 6.05 4 3 A 1 MET HA A 2 LYS HGy 1.0 1.8 5.57 5 3 A 1 MET HA A 2 LYS HGx 1.0 1.8 5.57 6 4 A 1 MET HA A 2 LYS H 1.0 1.8 3.42 7 5 A 1 MET HE% A 1 MET HBy 1.0 1.8 4.33 8 5 A 1 MET HBx A 1 MET HE% 1.0 1.8 4.33 9 6 A 108 ALA HB% A 1 MET HBy 1.0 1.8 3.67 10 6 A 108 ALA HB% A 1 MET HBx 1.0 1.8 3.67 11 7 A 108 ALA H A 1 MET HBy 1.0 1.8 4.99 12 7 A 1 MET HBx A 108 ALA H 1.0 1.8 4.99 13 8 A 2 LYS H A 1 MET HBy 1.0 1.8 4.31 14 8 A 2 LYS H A 1 MET HBx 1.0 1.8 4.31 15 9 A 108 ALA HB% A 1 MET HE% 1.0 1.8 3.86 16 10 A 1 MET HE% A 114 PRO HGy 1.0 1.8 4.48 17 10 A 1 MET HE% A 114 PRO HGx 1.0 1.8 4.48 18 11 A 2 LYS H A 1 MET HE% 1.0 1.8 5.61 19 12 A 1 MET HE% A 3 ILE HD1% 1.0 1.8 4.08 20 13 A 1 MET HE% A 3 ILE HG1y 1.0 1.8 4.36 21 13 A 1 MET HE% A 3 ILE HG1x 1.0 1.8 4.36 22 14 A 1 MET HE% A 1 MET HGx 1.0 1.8 3.37 23 14 A 1 MET HGy A 1 MET HE% 1.0 1.8 3.37 24 15 A 108 ALA HB% A 1 MET HGx 1.0 1.8 3.67 25 15 A 1 MET HGy A 108 ALA HB% 1.0 1.8 3.67 26 16 A 3 ILE HD1% A 1 MET HGx 1.0 1.8 5.08 27 16 A 1 MET HGy A 3 ILE HD1% 1.0 1.8 5.08 28 17 A 2 LYS H A 1 MET HGx 1.0 1.8 4.80 29 18 A 1 MET HGy A 2 LYS H 1.0 1.8 4.80 30 19 A 108 ALA HB% A 2 LYS HA 1.0 1.8 4.22 31 20 A 108 ALA H A 2 LYS HA 1.0 1.8 3.33 32 21 A 2 LYS HA A 2 LYS HDy 1.0 1.8 5.61 33 21 A 2 LYS HA A 2 LYS HDx 1.0 1.8 5.61 34 22 A 2 LYS HA A 3 ILE H 1.0 1.8 3.12 35 23 A 105 THR HG2% A 2 LYS HBy 1.0 1.8 3.99 36 23 A 2 LYS HBx A 105 THR HG2% 1.0 1.8 3.99 37 24 A 3 ILE H A 2 LYS HBy 1.0 1.8 3.79 38 24 A 3 ILE H A 2 LYS HBx 1.0 1.8 3.79 39 25 A 105 THR HG2% A 2 LYS HDy 1.0 1.8 3.34 40 25 A 2 LYS HDx A 105 THR HG2% 1.0 1.8 3.34 41 26 A 107 ASP HA A 2 LYS HDy 1.0 1.8 5.87 42 26 A 2 LYS HDx A 107 ASP HA 1.0 1.8 5.87 43 27 A 107 ASP HA A 2 LYS HGy 1.0 1.8 5.09 44 27 A 2 LYS HGx A 107 ASP HA 1.0 1.8 5.09 45 28 A 2 LYS HEy A 2 LYS HGy 1.0 1.8 3.30 46 28 A 2 LYS HEx A 2 LYS HGy 1.0 1.8 3.30 47 28 A 2 LYS HGx A 2 LYS HEy 1.0 1.8 3.30 48 28 A 2 LYS HGx A 2 LYS HEx 1.0 1.8 3.30 49 29 A 3 ILE H A 2 LYS HGy 1.0 1.8 4.76 50 29 A 2 LYS HGx A 3 ILE H 1.0 1.8 4.76 51 30 A 108 ALA HB% A 2 LYS H 1.0 1.8 5.21 52 31 A 2 LYS H A 2 LYS HBy 1.0 1.8 3.67 53 31 A 2 LYS H A 2 LYS HBx 1.0 1.8 3.67 54 32 A 2 LYS H A 2 LYS HGy 1.0 1.8 4.40 55 32 A 2 LYS HGx A 2 LYS H 1.0 1.8 4.40 56 33 A 3 ILE HD1% A 3 ILE HA 1.0 1.8 4.30 57 34 A 3 ILE HA A 3 ILE HG1y 1.0 1.8 3.66 58 34 A 3 ILE HG1x A 3 ILE HA 1.0 1.8 3.66 59 35 A 3 ILE HA A 3 ILE HG2% 1.0 1.8 3.53 60 36 A 3 ILE HA A 4 SER H 1.0 1.8 2.89 61 37 A 3 ILE HB A 106 PHE HD% 1.0 1.8 5.53 62 38 A 3 ILE HB A 106 PHE HE% 1.0 1.8 4.96 63 39 A 3 ILE HB A 106 PHE H 1.0 1.8 4.79 64 40 A 4 SER H A 3 ILE HB 1.0 1.8 4.88 65 41 A 3 ILE HD1% A 106 PHE HD% 1.0 1.8 4.48 66 42 A 3 ILE HD1% A 106 PHE HE% 1.0 1.8 4.31 67 43 A 3 ILE HD1% A 108 ALA HA 1.0 1.8 4.72 68 44 A 108 ALA HB% A 3 ILE HD1% 1.0 1.8 3.42 69 45 A 108 ALA H A 3 ILE HD1% 1.0 1.8 5.59 70 46 A 3 ILE HD1% A 114 PRO HA 1.0 1.8 3.77 71 47 A 3 ILE HD1% A 114 PRO HBy 1.0 1.8 4.83 72 48 A 3 ILE HD1% A 114 PRO HBx 1.0 1.8 4.83 73 49 A 3 ILE HD1% A 117 GLN HBy 1.0 1.8 3.56 74 49 A 3 ILE HD1% A 117 GLN HBx 1.0 1.8 3.56 75 50 A 3 ILE HD1% A 117 GLN HE21 1.0 1.8 6.05 76 50 A 3 ILE HD1% A 117 GLN HE22 1.0 1.8 6.05 77 51 A 3 ILE HD1% A 117 GLN H 1.0 1.8 5.03 78 52 A 3 ILE HD1% A 118 GLN HA 1.0 1.8 5.19 79 53 A 3 ILE HD1% A 118 GLN HBx 1.0 1.8 3.94 80 53 A 3 ILE HD1% A 118 GLN HBy 1.0 1.8 3.94 81 54 A 3 ILE HD1% A 118 GLN H 1.0 1.8 4.36 82 55 A 108 ALA HB% A 3 ILE HG1y 1.0 1.8 3.85 83 55 A 108 ALA HB% A 3 ILE HG1x 1.0 1.8 3.85 84 56 A 4 SER H A 3 ILE HG1y 1.0 1.8 5.07 85 56 A 3 ILE HG1x A 4 SER H 1.0 1.8 5.07 86 57 A 3 ILE HG2% A 106 PHE HD% 1.0 1.8 4.71 87 58 A 3 ILE HG2% A 106 PHE HE% 1.0 1.8 4.35 88 59 A 3 ILE HG2% A 106 PHE H 1.0 1.8 5.19 89 60 A 3 ILE HG2% A 118 GLN HA 1.0 1.8 4.18 90 61 A 3 ILE HG2% A 118 GLN HBx 1.0 1.8 3.71 91 61 A 3 ILE HG2% A 118 GLN HBy 1.0 1.8 3.71 92 62 A 3 ILE HG2% A 118 GLN HE21 1.0 1.8 5.32 93 63 A 3 ILE HG2% A 118 GLN HE22 1.0 1.8 5.32 94 64 A 3 ILE HG2% A 118 GLN HGx 1.0 1.8 4.31 95 65 A 3 ILE HG2% A 118 GLN HGy 1.0 1.8 4.31 96 66 A 3 ILE HG2% A 118 GLN H 1.0 1.8 4.65 97 67 A 3 ILE HD1% A 3 ILE HG2% 1.0 1.8 3.44 98 68 A 3 ILE HG2% A 3 ILE HG1y 1.0 1.8 3.63 99 68 A 3 ILE HG1x A 3 ILE HG2% 1.0 1.8 3.63 100 69 A 3 ILE HG2% A 4 SER H 1.0 1.8 3.31 101 70 A 3 ILE HG2% A 5 ILE HG2% 1.0 1.8 3.72 102 71 A 3 ILE H A 105 THR HA 1.0 1.8 5.76 103 72 A 3 ILE H A 105 THR HG2% 1.0 1.8 4.65 104 73 A 3 ILE H A 106 PHE HD% 1.0 1.8 5.69 105 74 A 3 ILE H A 106 PHE H 1.0 1.8 4.09 106 75 A 108 ALA HB% A 3 ILE H 1.0 1.8 4.53 107 76 A 3 ILE H A 3 ILE HB 1.0 1.8 3.61 108 77 A 3 ILE HD1% A 3 ILE H 1.0 1.8 4.64 109 78 A 3 ILE H A 3 ILE HG1y 1.0 1.8 3.92 110 78 A 3 ILE HG1x A 3 ILE H 1.0 1.8 3.92 111 79 A 3 ILE H A 3 ILE HG2% 1.0 1.8 4.46 112 80 A 105 THR HA A 4 SER HA 1.0 1.8 3.72 113 81 A 105 THR HG2% A 4 SER HA 1.0 1.8 4.60 114 82 A 106 PHE H A 4 SER HA 1.0 1.8 4.33 115 83 A 4 SER HA A 5 ILE H 1.0 1.8 3.15 116 84 A 5 ILE H A 4 SER HBy 1.0 1.8 4.02 117 84 A 5 ILE H A 4 SER HBx 1.0 1.8 4.02 118 85 A 105 THR HG2% A 4 SER HBx 1.0 1.8 4.61 119 86 A 105 THR HG2% A 4 SER HBy 1.0 1.8 4.61 120 87 A 4 SER H A 118 GLN HGx 1.0 1.8 5.59 121 87 A 4 SER H A 118 GLN HGy 1.0 1.8 5.59 122 88 A 4 SER H A 4 SER HBy 1.0 1.8 3.37 123 88 A 4 SER H A 4 SER HBx 1.0 1.8 3.37 124 89 A 4 SER H A 5 ILE HG2% 1.0 1.8 4.70 125 90 A 4 SER H A 5 ILE H 1.0 1.8 5.13 126 91 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 4.77 127 92 A 5 ILE HG2% A 5 ILE HA 1.0 1.8 3.44 128 93 A 5 ILE HA A 6 GLU H 1.0 1.8 3.28 129 94 A 5 ILE HB A 125 LEU HD2% 1.0 1.8 4.37 130 95 A 5 ILE HD1% A 5 ILE HB 1.0 1.8 3.61 131 96 A 6 GLU H A 5 ILE HB 1.0 1.8 3.47 132 97 A 5 ILE HD1% A 104 GLU HBx 1.0 1.8 3.86 133 97 A 5 ILE HD1% A 104 GLU HBy 1.0 1.8 3.86 134 98 A 106 PHE HE% A 5 ILE HD1% 1.0 1.8 4.58 135 99 A 5 ILE HD1% A 121 TRP HA 1.0 1.8 4.91 136 100 A 5 ILE HD1% A 121 TRP HBy 1.0 1.8 3.49 137 100 A 5 ILE HD1% A 121 TRP HBx 1.0 1.8 3.49 138 101 A 5 ILE HD1% A 122 GLN HA 1.0 1.8 3.65 139 102 A 5 ILE HD1% A 122 GLN H 1.0 1.8 4.41 140 103 A 5 ILE HD1% A 125 LEU HBy 1.0 1.8 3.55 141 103 A 5 ILE HD1% A 125 LEU HBx 1.0 1.8 3.55 142 104 A 5 ILE HD1% A 125 LEU HD2% 1.0 1.8 3.17 143 105 A 5 ILE HD1% A 6 GLU H 1.0 1.8 4.94 144 106 A 5 ILE HG1x A 104 GLU HBx 1.0 1.8 4.05 145 106 A 5 ILE HG1y A 104 GLU HBx 1.0 1.8 4.05 146 106 A 104 GLU HBy A 5 ILE HG1x 1.0 1.8 4.05 147 106 A 104 GLU HBy A 5 ILE HG1y 1.0 1.8 4.05 148 107 A 104 GLU H A 5 ILE HG1x 1.0 1.8 4.49 149 107 A 5 ILE HG1y A 104 GLU H 1.0 1.8 4.49 150 108 A 6 GLU H A 5 ILE HG1x 1.0 1.8 4.71 151 108 A 6 GLU H A 5 ILE HG1y 1.0 1.8 4.71 152 109 A 125 LEU HD2% A 5 ILE HG1x 1.0 1.8 4.84 153 110 A 125 LEU HD2% A 5 ILE HG1y 1.0 1.8 4.84 154 111 A 106 PHE HE% A 5 ILE HG2% 1.0 1.8 4.40 155 112 A 118 GLN HA A 5 ILE HG2% 1.0 1.8 4.43 156 113 A 5 ILE HG2% A 118 GLN HBx 1.0 1.8 4.73 157 113 A 118 GLN HBy A 5 ILE HG2% 1.0 1.8 4.73 158 114 A 118 GLN HE21 A 5 ILE HG2% 1.0 1.8 4.97 159 115 A 118 GLN HE22 A 5 ILE HG2% 1.0 1.8 4.97 160 116 A 5 ILE HG2% A 118 GLN HGx 1.0 1.8 4.07 161 117 A 5 ILE HG2% A 118 GLN HGy 1.0 1.8 4.07 162 118 A 5 ILE HG2% A 122 GLN HA 1.0 1.8 4.79 163 119 A 5 ILE HG2% A 122 GLN H 1.0 1.8 4.71 164 120 A 5 ILE HG2% A 5 ILE HD1% 1.0 1.8 3.50 165 121 A 5 ILE HG2% A 6 GLU H 1.0 1.8 4.13 166 122 A 5 ILE H A 104 GLU HBx 1.0 1.8 4.52 167 122 A 5 ILE H A 104 GLU HBy 1.0 1.8 4.52 168 123 A 5 ILE H A 104 GLU H 1.0 1.8 4.05 169 124 A 105 THR HA A 5 ILE H 1.0 1.8 4.30 170 125 A 5 ILE H A 5 ILE HG1x 1.0 1.8 3.40 171 125 A 5 ILE H A 5 ILE HG1y 1.0 1.8 3.40 172 126 A 5 ILE HG2% A 5 ILE H 1.0 1.8 4.20 173 127 A 6 GLU HA A 101 TRP HE1 1.0 1.8 4.85 174 128 A 6 GLU HA A 102 VAL HB 1.0 1.8 6.05 175 129 A 6 GLU HA A 103 GLN HA 1.0 1.8 3.77 176 130 A 6 GLU HA A 103 GLN HGy 1.0 1.8 5.87 177 130 A 6 GLU HA A 103 GLN HGx 1.0 1.8 5.87 178 131 A 104 GLU H A 6 GLU HA 1.0 1.8 4.19 179 132 A 125 LEU HD2% A 6 GLU HA 1.0 1.8 4.43 180 133 A 6 GLU HA A 7 ALA H 1.0 1.8 3.12 181 134 A 101 TRP HD1 A 6 GLU HBx 1.0 1.8 4.22 182 134 A 6 GLU HBy A 101 TRP HD1 1.0 1.8 4.22 183 135 A 101 TRP HE1 A 6 GLU HBx 1.0 1.8 3.78 184 136 A 7 ALA H A 6 GLU HBx 1.0 1.8 4.52 185 137 A 101 TRP HE1 A 6 GLU HBy 1.0 1.8 3.78 186 138 A 7 ALA H A 6 GLU HBy 1.0 1.8 4.52 187 139 A 101 TRP HE1 A 6 GLU HGx 1.0 1.8 4.75 188 139 A 101 TRP HE1 A 6 GLU HGy 1.0 1.8 4.75 189 140 A 7 ALA H A 6 GLU HGx 1.0 1.8 5.18 190 140 A 7 ALA H A 6 GLU HGy 1.0 1.8 5.18 191 141 A 6 GLU H A 122 GLN HE21 1.0 1.8 4.81 192 141 A 6 GLU H A 122 GLN HE22 1.0 1.8 4.81 193 142 A 6 GLU H A 125 LEU HD2% 1.0 1.8 4.76 194 143 A 6 GLU H A 6 GLU HGx 1.0 1.8 3.86 195 143 A 6 GLU H A 6 GLU HGy 1.0 1.8 3.86 196 144 A 7 ALA HA A 8 HIS H 1.0 1.8 3.07 197 145 A 7 ALA HB% A 102 VAL HG2% 1.0 1.8 3.98 198 146 A 7 ALA HB% A 102 VAL H 1.0 1.8 4.88 199 147 A 7 ALA HB% A 122 GLN HE21 1.0 1.8 4.80 200 148 A 7 ALA HB% A 122 GLN HE22 1.0 1.8 4.80 201 149 A 125 LEU HD2% A 7 ALA HB% 1.0 1.8 3.40 202 150 A 7 ALA HB% A 125 LEU HG 1.0 1.8 4.02 203 151 A 7 ALA HB% A 129 LYS HDy 1.0 1.8 4.40 204 151 A 7 ALA HB% A 129 LYS HDx 1.0 1.8 4.40 205 152 A 8 HIS H A 7 ALA HB% 1.0 1.8 3.73 206 153 A 7 ALA HB% A 9 ILE HD1% 1.0 1.8 4.15 207 154 A 7 ALA HB% A 9 ILE HG1x 1.0 1.8 4.23 208 154 A 7 ALA HB% A 9 ILE HG1y 1.0 1.8 4.23 209 155 A 7 ALA H A 101 TRP HA 1.0 1.8 5.73 210 156 A 7 ALA H A 101 TRP HD1 1.0 1.8 4.47 211 157 A 101 TRP HE1 A 7 ALA H 1.0 1.8 5.08 212 158 A 102 VAL HB A 7 ALA H 1.0 1.8 3.88 213 159 A 7 ALA H A 102 VAL HG1% 1.0 1.8 4.60 214 160 A 7 ALA H A 102 VAL HG2% 1.0 1.8 5.14 215 161 A 7 ALA H A 102 VAL H 1.0 1.8 3.98 216 162 A 103 GLN HA A 7 ALA H 1.0 1.8 4.55 217 163 A 7 ALA H A 125 LEU HD1% 1.0 1.8 5.52 218 164 A 125 LEU HD2% A 7 ALA H 1.0 1.8 4.66 219 165 A 7 ALA H A 7 ALA HB% 1.0 1.8 3.64 220 166 A 8 HIS HA A 9 ILE HG1x 1.0 1.8 5.87 221 166 A 9 ILE HG1y A 8 HIS HA 1.0 1.8 5.87 222 167 A 8 HIS HA A 9 ILE H 1.0 1.8 3.45 223 168 A 8 HIS H A 8 HIS HBy 1.0 1.8 3.51 224 168 A 8 HIS H A 8 HIS HBx 1.0 1.8 3.51 225 169 A 8 HIS H A 8 HIS HD2 1.0 1.8 5.20 226 170 A 9 ILE HA A 10 GLU H 1.0 1.8 3.54 227 171 A 9 ILE HA A 11 GLN H 1.0 1.8 4.99 228 172 A 9 ILE HD1% A 9 ILE HA 1.0 1.8 4.42 229 173 A 9 ILE HA A 9 ILE HG1x 1.0 1.8 4.35 230 174 A 9 ILE HG1y A 9 ILE HA 1.0 1.8 4.35 231 175 A 9 ILE HA A 9 ILE HG2% 1.0 1.8 3.66 232 176 A 9 ILE HB A 100 THR HB 1.0 1.8 4.33 233 177 A 9 ILE HB A 100 THR H 1.0 1.8 4.42 234 178 A 11 GLN H A 9 ILE HB 1.0 1.8 4.86 235 179 A 9 ILE HB A 16 VAL HG2% 1.0 1.8 4.29 236 180 A 9 ILE HD1% A 100 THR HB 1.0 1.8 4.97 237 181 A 9 ILE HD1% A 102 VAL HG1% 1.0 1.8 4.65 238 182 A 102 VAL HG2% A 9 ILE HD1% 1.0 1.8 3.89 239 183 A 102 VAL H A 9 ILE HD1% 1.0 1.8 6.05 240 184 A 9 ILE HD1% A 128 PHE HD% 1.0 1.8 4.46 241 185 A 9 ILE HD1% A 128 PHE HE% 1.0 1.8 4.00 242 186 A 9 ILE HD1% A 129 LYS HA 1.0 1.8 3.87 243 187 A 9 ILE HD1% A 129 LYS HBx 1.0 1.8 4.47 244 187 A 9 ILE HD1% A 129 LYS HBy 1.0 1.8 4.47 245 188 A 9 ILE HD1% A 129 LYS HDy 1.0 1.8 5.87 246 188 A 129 LYS HDx A 9 ILE HD1% 1.0 1.8 5.87 247 189 A 9 ILE HD1% A 129 LYS H 1.0 1.8 6.05 248 190 A 9 ILE HD1% A 132 VAL HG1% 1.0 1.8 4.39 249 191 A 9 ILE HD1% A 132 VAL HG2% 1.0 1.8 3.94 250 192 A 9 ILE HD1% A 16 VAL HG1% 1.0 1.8 4.06 251 193 A 9 ILE HD1% A 93 PHE HE% 1.0 1.8 5.31 252 194 A 102 VAL HG2% A 9 ILE HG1x 1.0 1.8 3.73 253 194 A 102 VAL HG2% A 9 ILE HG1y 1.0 1.8 3.73 254 195 A 129 LYS HA A 9 ILE HG1x 1.0 1.8 5.16 255 195 A 9 ILE HG1y A 129 LYS HA 1.0 1.8 5.16 256 196 A 9 ILE HG1y A 129 LYS HBx 1.0 1.8 5.60 257 196 A 9 ILE HG1x A 129 LYS HBx 1.0 1.8 5.60 258 197 A 9 ILE HG1y A 129 LYS HBy 1.0 1.8 5.60 259 197 A 129 LYS HBy A 9 ILE HG1x 1.0 1.8 5.60 260 198 A 9 ILE HG1y A 129 LYS HDy 1.0 1.8 5.13 261 198 A 9 ILE HG1x A 129 LYS HDy 1.0 1.8 5.13 262 198 A 129 LYS HDx A 9 ILE HG1x 1.0 1.8 5.13 263 198 A 129 LYS HDx A 9 ILE HG1y 1.0 1.8 5.13 264 199 A 9 ILE HG1y A 129 LYS HGy 1.0 1.8 5.84 265 199 A 9 ILE HG1x A 129 LYS HGy 1.0 1.8 5.84 266 199 A 129 LYS HGx A 9 ILE HG1x 1.0 1.8 5.84 267 199 A 9 ILE HG1y A 129 LYS HGx 1.0 1.8 5.84 268 200 A 129 LYS H A 9 ILE HG1x 1.0 1.8 6.05 269 200 A 9 ILE HG1y A 129 LYS H 1.0 1.8 6.05 270 201 A 129 LYS HBy A 9 ILE HG1x 1.0 1.8 5.14 271 201 A 9 ILE HG1x A 129 LYS HBx 1.0 1.8 5.14 272 202 A 9 ILE HG1y A 129 LYS HBy 1.0 1.8 5.14 273 202 A 9 ILE HG1y A 129 LYS HBx 1.0 1.8 5.14 274 203 A 10 GLU H A 9 ILE HG2% 1.0 1.8 3.85 275 204 A 9 ILE HG2% A 100 THR H 1.0 1.8 5.54 276 205 A 9 ILE HG2% A 11 GLN HA 1.0 1.8 4.79 277 206 A 9 ILE HG2% A 11 GLN HBx 1.0 1.8 3.37 278 206 A 9 ILE HG2% A 11 GLN HBy 1.0 1.8 3.37 279 207 A 9 ILE HG2% A 11 GLN HE21 1.0 1.8 5.68 280 207 A 9 ILE HG2% A 11 GLN HE22 1.0 1.8 5.68 281 208 A 9 ILE HG2% A 11 GLN HGx 1.0 1.8 4.99 282 208 A 9 ILE HG2% A 11 GLN HGy 1.0 1.8 4.99 283 209 A 11 GLN H A 9 ILE HG2% 1.0 1.8 3.60 284 210 A 9 ILE HG2% A 129 LYS HA 1.0 1.8 4.05 285 211 A 9 ILE HG2% A 129 LYS HGy 1.0 1.8 4.40 286 211 A 9 ILE HG2% A 129 LYS HGx 1.0 1.8 4.40 287 212 A 9 ILE HG2% A 132 VAL HB 1.0 1.8 4.14 288 213 A 9 ILE HG2% A 132 VAL HG1% 1.0 1.8 3.29 289 214 A 9 ILE HG2% A 133 GLU HA 1.0 1.8 5.24 290 215 A 9 ILE HG2% A 133 GLU HGy 1.0 1.8 3.87 291 215 A 9 ILE HG2% A 133 GLU HGx 1.0 1.8 3.87 292 216 A 9 ILE HG2% A 133 GLU H 1.0 1.8 4.88 293 217 A 9 ILE HD1% A 9 ILE HG2% 1.0 1.8 3.82 294 218 A 101 TRP HA A 9 ILE H 1.0 1.8 4.84 295 219 A 102 VAL H A 9 ILE H 1.0 1.8 5.36 296 220 A 9 ILE H A 9 ILE HB 1.0 1.8 3.94 297 221 A 9 ILE HD1% A 9 ILE H 1.0 1.8 4.82 298 222 A 9 ILE H A 9 ILE HG1x 1.0 1.8 4.86 299 223 A 9 ILE HG1y A 9 ILE H 1.0 1.8 4.86 300 224 A 10 GLU HA A 10 GLU HGx 1.0 1.8 4.16 301 225 A 10 GLU HA A 10 GLU HGy 1.0 1.8 4.16 302 226 A 100 THR H A 10 GLU HA 1.0 1.8 4.36 303 227 A 11 GLN H A 10 GLU HA 1.0 1.8 3.23 304 228 A 10 GLU HA A 99 GLY HAx 1.0 1.8 3.69 305 229 A 10 GLU HA A 99 GLY HAy 1.0 1.8 3.69 306 230 A 11 GLN HA A 10 GLU HBy 1.0 1.8 5.72 307 230 A 11 GLN HA A 10 GLU HBx 1.0 1.8 5.72 308 231 A 11 GLN H A 10 GLU HBy 1.0 1.8 4.46 309 231 A 11 GLN H A 10 GLU HBx 1.0 1.8 4.46 310 232 A 10 GLU H A 10 GLU HBy 1.0 1.8 3.70 311 232 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.70 312 233 A 10 GLU H A 10 GLU HGx 1.0 1.8 3.85 313 233 A 10 GLU H A 10 GLU HGy 1.0 1.8 3.85 314 234 A 10 GLU H A 11 GLN H 1.0 1.8 4.76 315 235 A 10 GLU H A 133 GLU HGy 1.0 1.8 4.46 316 235 A 10 GLU H A 133 GLU HGx 1.0 1.8 4.46 317 236 A 11 GLN HA A 11 GLN HE21 1.0 1.8 5.29 318 236 A 11 GLN HA A 11 GLN HE22 1.0 1.8 5.29 319 237 A 11 GLN HA A 12 GLU HBx 1.0 1.8 5.87 320 237 A 11 GLN HA A 12 GLU HBy 1.0 1.8 5.87 321 238 A 11 GLN HA A 12 GLU H 1.0 1.8 3.27 322 239 A 11 GLN HE21 A 11 GLN HBx 1.0 1.8 5.26 323 239 A 11 GLN HBy A 11 GLN HE21 1.0 1.8 5.26 324 240 A 12 GLU H A 11 GLN HBx 1.0 1.8 3.90 325 240 A 11 GLN HBy A 12 GLU H 1.0 1.8 3.90 326 241 A 132 VAL HG1% A 11 GLN HBx 1.0 1.8 3.39 327 241 A 132 VAL HG1% A 11 GLN HBy 1.0 1.8 3.39 328 242 A 133 GLU HA A 11 GLN HBx 1.0 1.8 5.12 329 242 A 11 GLN HBy A 133 GLU HA 1.0 1.8 5.12 330 243 A 16 VAL HG2% A 11 GLN HBx 1.0 1.8 3.36 331 243 A 16 VAL HG2% A 11 GLN HBy 1.0 1.8 3.36 332 244 A 133 GLU HA A 11 GLN HE21 1.0 1.8 5.53 333 244 A 133 GLU HA A 11 GLN HE22 1.0 1.8 5.53 334 245 A 11 GLN HE21 A 137 LEU HD1% 1.0 1.8 5.05 335 245 A 137 LEU HD1% A 11 GLN HE22 1.0 1.8 5.05 336 246 A 11 GLN HE21 A 137 LEU HD2% 1.0 1.8 6.05 337 246 A 137 LEU HD2% A 11 GLN HE22 1.0 1.8 6.05 338 247 A 11 GLN HE21 A 15 ALA HB% 1.0 1.8 5.36 339 247 A 15 ALA HB% A 11 GLN HE22 1.0 1.8 5.36 340 248 A 132 VAL HG1% A 11 GLN HE21 1.0 1.8 4.77 341 249 A 11 GLN HE21 A 136 GLY HAx 1.0 1.8 6.05 342 249 A 11 GLN HE21 A 136 GLY HAy 1.0 1.8 6.05 343 250 A 132 VAL HG1% A 11 GLN HE22 1.0 1.8 4.77 344 251 A 11 GLN HE22 A 136 GLY HAx 1.0 1.8 6.05 345 251 A 136 GLY HAy A 11 GLN HE22 1.0 1.8 6.05 346 252 A 11 GLN HE21 A 11 GLN HGx 1.0 1.8 3.83 347 252 A 11 GLN HGy A 11 GLN HE22 1.0 1.8 3.83 348 252 A 11 GLN HE22 A 11 GLN HGx 1.0 1.8 3.83 349 252 A 11 GLN HGy A 11 GLN HE21 1.0 1.8 3.83 350 253 A 12 GLU H A 11 GLN HGx 1.0 1.8 4.23 351 254 A 132 VAL HG1% A 11 GLN HGx 1.0 1.8 4.27 352 255 A 132 VAL HG2% A 11 GLN HGx 1.0 1.8 5.92 353 256 A 15 ALA HB% A 11 GLN HGx 1.0 1.8 3.92 354 257 A 16 VAL HG2% A 11 GLN HGx 1.0 1.8 5.19 355 258 A 11 GLN HGy A 12 GLU H 1.0 1.8 4.23 356 259 A 132 VAL HG1% A 11 GLN HGy 1.0 1.8 4.27 357 260 A 132 VAL HG2% A 11 GLN HGy 1.0 1.8 5.92 358 261 A 11 GLN HGy A 15 ALA HB% 1.0 1.8 3.92 359 262 A 16 VAL HG2% A 11 GLN HGy 1.0 1.8 5.19 360 263 A 11 GLN H A 100 THR H 1.0 1.8 3.92 361 264 A 11 GLN H A 11 GLN HBx 1.0 1.8 3.85 362 264 A 11 GLN H A 11 GLN HBy 1.0 1.8 3.85 363 265 A 11 GLN H A 12 GLU H 1.0 1.8 5.16 364 266 A 11 GLN H A 99 GLY HAx 1.0 1.8 3.50 365 266 A 11 GLN H A 99 GLY HAy 1.0 1.8 3.50 366 267 A 12 GLU HA A 12 GLU HGx 1.0 1.8 3.56 367 267 A 12 GLU HA A 12 GLU HGy 1.0 1.8 3.56 368 268 A 12 GLU HA A 13 ILE HG2% 1.0 1.8 4.54 369 269 A 12 GLU HA A 13 ILE H 1.0 1.8 3.27 370 270 A 12 GLU HA A 14 GLU H 1.0 1.8 5.05 371 271 A 13 ILE H A 12 GLU HBx 1.0 1.8 3.72 372 271 A 12 GLU HBy A 13 ILE H 1.0 1.8 3.72 373 272 A 14 GLU H A 12 GLU HBx 1.0 1.8 4.22 374 272 A 12 GLU HBy A 14 GLU H 1.0 1.8 4.22 375 273 A 15 ALA HB% A 12 GLU HBx 1.0 1.8 4.47 376 273 A 12 GLU HBy A 15 ALA HB% 1.0 1.8 4.47 377 274 A 15 ALA H A 12 GLU HBx 1.0 1.8 4.68 378 275 A 12 GLU HBy A 15 ALA H 1.0 1.8 4.68 379 276 A 13 ILE H A 12 GLU HGx 1.0 1.8 5.03 380 276 A 12 GLU HGy A 13 ILE H 1.0 1.8 5.03 381 277 A 15 ALA HB% A 12 GLU HGx 1.0 1.8 4.77 382 277 A 15 ALA HB% A 12 GLU HGy 1.0 1.8 4.77 383 278 A 15 ALA H A 12 GLU HGx 1.0 1.8 4.79 384 278 A 12 GLU HGy A 15 ALA H 1.0 1.8 4.79 385 279 A 12 GLU H A 12 GLU HBx 1.0 1.8 3.50 386 279 A 12 GLU HBy A 12 GLU H 1.0 1.8 3.50 387 280 A 12 GLU H A 12 GLU HGx 1.0 1.8 5.00 388 280 A 12 GLU H A 12 GLU HGy 1.0 1.8 5.00 389 281 A 132 VAL HG1% A 12 GLU H 1.0 1.8 5.36 390 282 A 12 GLU H A 15 ALA HB% 1.0 1.8 4.41 391 283 A 16 VAL HG2% A 12 GLU H 1.0 1.8 4.99 392 284 A 13 ILE HA A 100 THR HG2% 1.0 1.8 3.97 393 285 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 4.51 394 286 A 13 ILE HA A 13 ILE HG1y 1.0 1.8 3.62 395 286 A 13 ILE HA A 13 ILE HG1x 1.0 1.8 3.62 396 287 A 13 ILE HA A 16 VAL HB 1.0 1.8 4.14 397 288 A 16 VAL HG2% A 13 ILE HA 1.0 1.8 3.99 398 289 A 13 ILE HA A 16 VAL H 1.0 1.8 4.68 399 290 A 13 ILE HA A 17 TRP H 1.0 1.8 5.19 400 291 A 100 THR HG2% A 13 ILE HB 1.0 1.8 4.07 401 292 A 13 ILE HD1% A 13 ILE HB 1.0 1.8 3.61 402 293 A 14 GLU H A 13 ILE HB 1.0 1.8 5.06 403 294 A 13 ILE HB A 95 SER HA 1.0 1.8 5.33 404 295 A 100 THR HG2% A 13 ILE HD1% 1.0 1.8 3.49 405 296 A 13 ILE HD1% A 76 PRO HBy 1.0 1.8 4.36 406 296 A 13 ILE HD1% A 76 PRO HBx 1.0 1.8 4.36 407 297 A 13 ILE HD1% A 76 PRO HGy 1.0 1.8 3.86 408 297 A 13 ILE HD1% A 76 PRO HGx 1.0 1.8 3.86 409 298 A 13 ILE HD1% A 77 THR HA 1.0 1.8 3.55 410 299 A 13 ILE HD1% A 77 THR HB 1.0 1.8 6.00 411 300 A 13 ILE HD1% A 93 PHE HA 1.0 1.8 4.81 412 301 A 13 ILE HD1% A 93 PHE HBx 1.0 1.8 3.85 413 302 A 13 ILE HD1% A 93 PHE HBy 1.0 1.8 3.85 414 303 A 13 ILE HD1% A 93 PHE H 1.0 1.8 4.95 415 304 A 13 ILE HD1% A 94 ALA HA 1.0 1.8 4.49 416 305 A 13 ILE HD1% A 94 ALA HB% 1.0 1.8 4.88 417 306 A 13 ILE HD1% A 94 ALA H 1.0 1.8 4.88 418 307 A 13 ILE HD1% A 95 SER HA 1.0 1.8 4.40 419 308 A 13 ILE HD1% A 95 SER HBy 1.0 1.8 4.35 420 308 A 13 ILE HD1% A 95 SER HBx 1.0 1.8 4.35 421 309 A 13 ILE HD1% A 95 SER H 1.0 1.8 3.53 422 310 A 100 THR HG2% A 13 ILE HG1y 1.0 1.8 5.12 423 310 A 100 THR HG2% A 13 ILE HG1x 1.0 1.8 5.12 424 311 A 14 GLU H A 13 ILE HG1y 1.0 1.8 5.25 425 311 A 14 GLU H A 13 ILE HG1x 1.0 1.8 5.25 426 312 A 13 ILE HG1x A 76 PRO HBy 1.0 1.8 3.90 427 312 A 13 ILE HG1y A 76 PRO HBy 1.0 1.8 3.90 428 312 A 76 PRO HBx A 13 ILE HG1y 1.0 1.8 3.90 429 312 A 13 ILE HG1x A 76 PRO HBx 1.0 1.8 3.90 430 313 A 13 ILE HG1y A 93 PHE HBx 1.0 1.8 4.51 431 313 A 13 ILE HG1x A 93 PHE HBx 1.0 1.8 4.51 432 313 A 93 PHE HBy A 13 ILE HG1y 1.0 1.8 4.51 433 313 A 13 ILE HG1x A 93 PHE HBy 1.0 1.8 4.51 434 314 A 13 ILE HG2% A 13 ILE HG1y 1.0 1.8 3.61 435 314 A 13 ILE HG2% A 13 ILE HG1x 1.0 1.8 3.61 436 315 A 13 ILE HG2% A 14 GLU HA 1.0 1.8 4.52 437 316 A 13 ILE HG2% A 14 GLU HGx 1.0 1.8 3.86 438 316 A 13 ILE HG2% A 14 GLU HGy 1.0 1.8 3.86 439 317 A 13 ILE HG2% A 14 GLU H 1.0 1.8 3.31 440 318 A 13 ILE HG2% A 76 PRO HGy 1.0 1.8 4.80 441 318 A 13 ILE HG2% A 76 PRO HGx 1.0 1.8 4.80 442 319 A 13 ILE HG2% A 77 THR HG2% 1.0 1.8 5.92 443 320 A 13 ILE HG2% A 95 SER HBy 1.0 1.8 4.25 444 320 A 13 ILE HG2% A 95 SER HBx 1.0 1.8 4.25 445 321 A 13 ILE HG2% A 95 SER H 1.0 1.8 5.26 446 322 A 13 ILE H A 13 ILE HB 1.0 1.8 3.49 447 323 A 13 ILE H A 13 ILE HD1% 1.0 1.8 4.95 448 324 A 13 ILE H A 13 ILE HG1y 1.0 1.8 5.53 449 324 A 13 ILE H A 13 ILE HG1x 1.0 1.8 5.53 450 325 A 13 ILE HG2% A 13 ILE H 1.0 1.8 3.41 451 326 A 13 ILE H A 14 GLU H 1.0 1.8 4.50 452 327 A 14 GLU HA A 14 GLU HGx 1.0 1.8 3.79 453 327 A 14 GLU HA A 14 GLU HGy 1.0 1.8 3.79 454 328 A 14 GLU HA A 17 TRP HBx 1.0 1.8 4.57 455 328 A 14 GLU HA A 17 TRP HBy 1.0 1.8 4.57 456 329 A 17 TRP H A 14 GLU HA 1.0 1.8 4.76 457 330 A 14 GLU HA A 76 PRO HBy 1.0 1.8 5.01 458 330 A 76 PRO HBx A 14 GLU HA 1.0 1.8 5.01 459 331 A 15 ALA H A 14 GLU HBy 1.0 1.8 3.94 460 331 A 15 ALA H A 14 GLU HBx 1.0 1.8 3.94 461 332 A 15 ALA H A 14 GLU HGx 1.0 1.8 4.32 462 332 A 15 ALA H A 14 GLU HGy 1.0 1.8 4.32 463 333 A 14 GLU H A 14 GLU HBy 1.0 1.8 3.40 464 333 A 14 GLU H A 14 GLU HBx 1.0 1.8 3.40 465 334 A 14 GLU H A 14 GLU HGx 1.0 1.8 3.72 466 334 A 14 GLU H A 14 GLU HGy 1.0 1.8 3.72 467 335 A 15 ALA HB% A 14 GLU H 1.0 1.8 5.61 468 336 A 14 GLU H A 15 ALA H 1.0 1.8 3.66 469 337 A 15 ALA HA A 18 TRP HBx 1.0 1.8 4.13 470 337 A 15 ALA HA A 18 TRP HBy 1.0 1.8 4.13 471 338 A 132 VAL HG1% A 15 ALA HB% 1.0 1.8 5.14 472 339 A 137 LEU HD1% A 15 ALA HB% 1.0 1.8 4.31 473 340 A 137 LEU HD2% A 15 ALA HB% 1.0 1.8 4.83 474 341 A 16 VAL HG2% A 15 ALA HB% 1.0 1.8 3.93 475 342 A 15 ALA HB% A 16 VAL H 1.0 1.8 3.81 476 343 A 15 ALA HB% A 17 TRP H 1.0 1.8 5.32 477 344 A 15 ALA HB% A 18 TRP H 1.0 1.8 5.42 478 345 A 15 ALA HB% A 15 ALA H 1.0 1.8 3.28 479 346 A 16 VAL HG2% A 15 ALA H 1.0 1.8 4.93 480 347 A 15 ALA H A 16 VAL H 1.0 1.8 3.48 481 348 A 128 PHE HE% A 16 VAL HA 1.0 1.8 5.09 482 349 A 132 VAL HG1% A 16 VAL HA 1.0 1.8 4.48 483 350 A 132 VAL HG2% A 16 VAL HA 1.0 1.8 4.28 484 351 A 16 VAL HG1% A 16 VAL HA 1.0 1.8 3.74 485 352 A 16 VAL HG2% A 16 VAL HA 1.0 1.8 3.51 486 353 A 16 VAL HA A 19 ALA HB% 1.0 1.8 4.21 487 354 A 16 VAL HA A 19 ALA H 1.0 1.8 4.91 488 355 A 100 THR HG2% A 16 VAL HB 1.0 1.8 4.47 489 356 A 16 VAL HB A 17 TRP H 1.0 1.8 3.92 490 357 A 128 PHE HE% A 16 VAL HG1% 1.0 1.8 3.72 491 358 A 16 VAL HG1% A 17 TRP HA 1.0 1.8 5.16 492 359 A 16 VAL HG1% A 17 TRP H 1.0 1.8 4.51 493 360 A 16 VAL HG1% A 20 TRP HBx 1.0 1.8 5.15 494 361 A 16 VAL HG1% A 20 TRP HBy 1.0 1.8 5.15 495 362 A 16 VAL HG1% A 93 PHE HBx 1.0 1.8 5.67 496 362 A 16 VAL HG1% A 93 PHE HBy 1.0 1.8 5.67 497 363 A 16 VAL HG1% A 93 PHE HD% 1.0 1.8 3.75 498 364 A 16 VAL HG1% A 93 PHE HE% 1.0 1.8 4.11 499 365 A 100 THR HB A 16 VAL HG2% 1.0 1.8 3.67 500 366 A 16 VAL HG2% A 100 THR HG2% 1.0 1.8 3.54 501 367 A 16 VAL HG2% A 132 VAL HG1% 1.0 1.8 3.48 502 368 A 16 VAL HG2% A 17 TRP H 1.0 1.8 4.62 503 369 A 16 VAL HB A 16 VAL H 1.0 1.8 3.55 504 370 A 16 VAL HG1% A 16 VAL H 1.0 1.8 4.39 505 371 A 16 VAL HG2% A 16 VAL H 1.0 1.8 3.52 506 372 A 16 VAL H A 17 TRP H 1.0 1.8 3.93 507 373 A 17 TRP HA A 20 TRP HBx 1.0 1.8 5.67 508 374 A 17 TRP HA A 20 TRP HBy 1.0 1.8 5.67 509 375 A 17 TRP HA A 20 TRP HD1 1.0 1.8 5.82 510 376 A 17 TRP HA A 20 TRP H 1.0 1.8 5.10 511 377 A 93 PHE HE% A 17 TRP HA 1.0 1.8 6.05 512 378 A 18 TRP H A 17 TRP HBx 1.0 1.8 3.97 513 378 A 17 TRP HBy A 18 TRP H 1.0 1.8 3.97 514 379 A 17 TRP HBy A 76 PRO HBy 1.0 1.8 4.16 515 379 A 17 TRP HBx A 76 PRO HBy 1.0 1.8 4.16 516 379 A 76 PRO HBx A 17 TRP HBx 1.0 1.8 4.16 517 379 A 76 PRO HBx A 17 TRP HBy 1.0 1.8 4.16 518 380 A 17 TRP HBx A 76 PRO HBy 1.0 1.8 6.02 519 381 A 76 PRO HBx A 17 TRP HBx 1.0 1.8 6.02 520 382 A 17 TRP HBy A 76 PRO HBy 1.0 1.8 6.02 521 383 A 76 PRO HBx A 17 TRP HBy 1.0 1.8 6.02 522 384 A 17 TRP HD1 A 18 TRP HA 1.0 1.8 5.26 523 385 A 18 TRP H A 17 TRP HD1 1.0 1.8 4.81 524 386 A 17 TRP HD1 A 75 ALA HB% 1.0 1.8 4.99 525 387 A 17 TRP HE1 A 45 LEU HD2% 1.0 1.8 4.54 526 388 A 75 ALA HB% A 17 TRP HE1 1.0 1.8 4.14 527 389 A 17 TRP HH2 A 45 LEU HD1% 1.0 1.8 4.18 528 390 A 17 TRP HH2 A 73 VAL HA 1.0 1.8 5.68 529 391 A 17 TRP HH2 A 73 VAL HG1% 1.0 1.8 4.56 530 392 A 75 ALA HB% A 17 TRP HH2 1.0 1.8 4.40 531 393 A 17 TRP HH2 A 79 LEU HBx 1.0 1.8 4.29 532 394 A 17 TRP HH2 A 79 LEU HBy 1.0 1.8 4.29 533 395 A 17 TRP HH2 A 79 LEU HD1% 1.0 1.8 3.81 534 396 A 17 TRP HH2 A 79 LEU HD2% 1.0 1.8 6.05 535 397 A 17 TRP H A 17 TRP HBx 1.0 1.8 3.43 536 397 A 17 TRP H A 17 TRP HBy 1.0 1.8 3.43 537 398 A 17 TRP H A 18 TRP H 1.0 1.8 4.13 538 399 A 45 LEU HD2% A 17 TRP HZ2 1.0 1.8 3.97 539 400 A 73 VAL HG1% A 17 TRP HZ2 1.0 1.8 4.00 540 401 A 75 ALA HB% A 17 TRP HZ2 1.0 1.8 3.84 541 402 A 17 TRP HZ2 A 75 ALA H 1.0 1.8 5.64 542 403 A 17 TRP HZ2 A 79 LEU HBy 1.0 1.8 5.18 543 403 A 17 TRP HZ2 A 79 LEU HBx 1.0 1.8 5.18 544 404 A 18 TRP HA A 18 TRP HD1 1.0 1.8 4.41 545 405 A 18 TRP HA A 22 ASP H 1.0 1.8 5.75 546 406 A 18 TRP HD1 A 18 TRP HBx 1.0 1.8 4.20 547 406 A 18 TRP HBy A 18 TRP HD1 1.0 1.8 4.20 548 407 A 18 TRP HE3 A 18 TRP HBx 1.0 1.8 4.02 549 407 A 18 TRP HBy A 18 TRP HE3 1.0 1.8 4.02 550 408 A 19 ALA H A 18 TRP HBx 1.0 1.8 3.69 551 408 A 18 TRP HBy A 19 ALA H 1.0 1.8 3.69 552 409 A 137 LEU HD2% A 18 TRP HE3 1.0 1.8 5.37 553 410 A 18 TRP HE3 A 19 ALA HA 1.0 1.8 5.70 554 411 A 19 ALA HB% A 18 TRP HE3 1.0 1.8 4.45 555 412 A 19 ALA H A 18 TRP HE3 1.0 1.8 4.80 556 413 A 18 TRP H A 18 TRP HBx 1.0 1.8 3.34 557 413 A 18 TRP HBy A 18 TRP H 1.0 1.8 3.34 558 414 A 18 TRP H A 19 ALA HB% 1.0 1.8 5.08 559 415 A 18 TRP H A 19 ALA H 1.0 1.8 3.93 560 416 A 137 LEU HD1% A 18 TRP HZ3 1.0 1.8 5.80 561 417 A 137 LEU HD2% A 18 TRP HZ3 1.0 1.8 4.49 562 418 A 19 ALA HA A 22 ASP HBy 1.0 1.8 5.87 563 418 A 19 ALA HA A 22 ASP HBx 1.0 1.8 5.87 564 419 A 22 ASP H A 19 ALA HA 1.0 1.8 5.17 565 420 A 19 ALA HA A 25 CYS HBy 1.0 1.8 4.55 566 420 A 19 ALA HA A 25 CYS HBx 1.0 1.8 4.55 567 421 A 128 PHE HE% A 19 ALA HB% 1.0 1.8 3.73 568 422 A 19 ALA HB% A 131 TYR HD% 1.0 1.8 4.46 569 423 A 19 ALA HB% A 131 TYR HE% 1.0 1.8 3.78 570 424 A 132 VAL HG2% A 19 ALA HB% 1.0 1.8 3.66 571 425 A 137 LEU HD1% A 19 ALA HB% 1.0 1.8 4.33 572 426 A 19 ALA HB% A 20 TRP H 1.0 1.8 4.25 573 427 A 19 ALA HB% A 21 ASN H 1.0 1.8 6.05 574 428 A 19 ALA HB% A 25 CYS HA 1.0 1.8 6.05 575 429 A 19 ALA HB% A 25 CYS HBy 1.0 1.8 4.55 576 429 A 19 ALA HB% A 25 CYS HBx 1.0 1.8 4.55 577 430 A 19 ALA HB% A 19 ALA H 1.0 1.8 3.36 578 431 A 19 ALA H A 20 TRP H 1.0 1.8 3.90 579 432 A 128 PHE HE% A 20 TRP HA 1.0 1.8 4.35 580 433 A 20 TRP HA A 29 TRP HE1 1.0 1.8 5.35 581 434 A 20 TRP HA A 29 TRP HZ2 1.0 1.8 3.98 582 435 A 20 TRP HBx A 21 ASN HBy 1.0 1.8 5.01 583 435 A 20 TRP HBy A 21 ASN HBy 1.0 1.8 5.01 584 435 A 21 ASN HBx A 20 TRP HBx 1.0 1.8 5.01 585 435 A 20 TRP HBy A 21 ASN HBx 1.0 1.8 5.01 586 436 A 21 ASN H A 20 TRP HBx 1.0 1.8 4.87 587 437 A 21 ASN H A 20 TRP HBy 1.0 1.8 4.87 588 438 A 20 TRP HD1 A 79 LEU HD1% 1.0 1.8 5.86 589 439 A 20 TRP HD1 A 79 LEU HD2% 1.0 1.8 4.06 590 440 A 79 LEU HD2% A 20 TRP HE1 1.0 1.8 4.57 591 441 A 20 TRP HE1 A 91 VAL HG2% 1.0 1.8 4.87 592 442 A 125 LEU HD1% A 20 TRP HH2 1.0 1.8 4.27 593 443 A 128 PHE HE% A 20 TRP H 1.0 1.8 5.12 594 444 A 20 TRP H A 20 TRP HBx 1.0 1.8 4.11 595 445 A 20 TRP H A 20 TRP HBy 1.0 1.8 4.11 596 446 A 20 TRP H A 21 ASN H 1.0 1.8 4.28 597 447 A 20 TRP HZ2 A 91 VAL HG1% 1.0 1.8 5.03 598 448 A 91 VAL HG2% A 20 TRP HZ2 1.0 1.8 4.07 599 449 A 125 LEU HD1% A 20 TRP HZ3 1.0 1.8 3.96 600 450 A 21 ASN HA A 26 ILE HD1% 1.0 1.8 4.39 601 451 A 22 ASP H A 21 ASN HBy 1.0 1.8 4.43 602 451 A 22 ASP H A 21 ASN HBx 1.0 1.8 4.43 603 452 A 45 LEU HD2% A 21 ASN HBy 1.0 1.8 4.17 604 452 A 45 LEU HD2% A 21 ASN HBx 1.0 1.8 4.17 605 453 A 21 ASN H A 21 ASN HBy 1.0 1.8 3.85 606 453 A 21 ASN H A 21 ASN HBx 1.0 1.8 3.85 607 454 A 21 ASN H A 21 ASN HD2y 1.0 1.8 5.48 608 454 A 21 ASN H A 21 ASN HD2x 1.0 1.8 5.48 609 455 A 21 ASN H A 22 ASP HBy 1.0 1.8 5.87 610 455 A 22 ASP HBx A 21 ASN H 1.0 1.8 5.87 611 456 A 22 ASP H A 21 ASN H 1.0 1.8 4.06 612 457 A 22 ASP HA A 23 PRO HDx 1.0 1.8 3.85 613 458 A 22 ASP HA A 23 PRO HDy 1.0 1.8 3.85 614 459 A 22 ASP HA A 25 CYS H 1.0 1.8 5.40 615 460 A 24 ASP H A 22 ASP HBy 1.0 1.8 5.87 616 460 A 22 ASP HBx A 24 ASP H 1.0 1.8 5.87 617 461 A 25 CYS HA A 22 ASP HBy 1.0 1.8 5.87 618 461 A 22 ASP HBx A 25 CYS HA 1.0 1.8 5.87 619 462 A 22 ASP HBy A 25 CYS HBy 1.0 1.8 5.37 620 462 A 25 CYS HBx A 22 ASP HBy 1.0 1.8 5.37 621 462 A 22 ASP HBx A 25 CYS HBx 1.0 1.8 5.37 622 462 A 22 ASP HBx A 25 CYS HBy 1.0 1.8 5.37 623 463 A 25 CYS H A 22 ASP HBy 1.0 1.8 4.73 624 463 A 22 ASP HBx A 25 CYS H 1.0 1.8 4.73 625 464 A 22 ASP H A 22 ASP HBy 1.0 1.8 3.89 626 464 A 22 ASP H A 22 ASP HBx 1.0 1.8 3.89 627 465 A 22 ASP H A 26 ILE HD1% 1.0 1.8 5.19 628 466 A 23 PRO HA A 26 ILE HB 1.0 1.8 4.25 629 467 A 26 ILE HD1% A 23 PRO HA 1.0 1.8 4.19 630 468 A 23 PRO HA A 26 ILE HG2% 1.0 1.8 5.61 631 469 A 23 PRO HA A 26 ILE H 1.0 1.8 5.32 632 470 A 23 PRO HA A 43 VAL HG2% 1.0 1.8 5.08 633 471 A 24 ASP H A 23 PRO HBx 1.0 1.8 3.94 634 471 A 24 ASP H A 23 PRO HBy 1.0 1.8 3.94 635 472 A 43 VAL HG2% A 23 PRO HBx 1.0 1.8 4.64 636 472 A 43 VAL HG2% A 23 PRO HBy 1.0 1.8 4.64 637 473 A 24 ASP H A 23 PRO HDx 1.0 1.8 4.54 638 473 A 24 ASP H A 23 PRO HDy 1.0 1.8 4.54 639 474 A 24 ASP H A 23 PRO HGy 1.0 1.8 4.16 640 474 A 24 ASP H A 23 PRO HGx 1.0 1.8 4.16 641 475 A 24 ASP HA A 27 ALA HB% 1.0 1.8 4.41 642 476 A 24 ASP HA A 27 ALA H 1.0 1.8 5.53 643 477 A 25 CYS H A 24 ASP HBy 1.0 1.8 4.36 644 477 A 25 CYS H A 24 ASP HBx 1.0 1.8 4.36 645 478 A 24 ASP H A 24 ASP HBy 1.0 1.8 3.32 646 478 A 24 ASP H A 24 ASP HBx 1.0 1.8 3.32 647 479 A 25 CYS HA A 28 ARG HBx 1.0 1.8 6.05 648 480 A 25 CYS HA A 28 ARG HBy 1.0 1.8 6.05 649 481 A 25 CYS HA A 28 ARG HDy 1.0 1.8 5.10 650 481 A 25 CYS HA A 28 ARG HDx 1.0 1.8 5.10 651 482 A 25 CYS HA A 28 ARG HGy 1.0 1.8 5.87 652 482 A 25 CYS HA A 28 ARG HGx 1.0 1.8 5.87 653 483 A 25 CYS HA A 28 ARG H 1.0 1.8 5.20 654 484 A 131 TYR HE% A 25 CYS HBy 1.0 1.8 5.20 655 484 A 25 CYS HBx A 131 TYR HE% 1.0 1.8 5.20 656 485 A 25 CYS H A 26 ILE H 1.0 1.8 4.40 657 486 A 26 ILE HB A 27 ALA H 1.0 1.8 5.08 658 487 A 26 ILE HD1% A 43 VAL HG2% 1.0 1.8 3.89 659 488 A 26 ILE HD1% A 53 HIS HE1 1.0 1.8 3.71 660 489 A 26 ILE HD1% A 26 ILE HG2% 1.0 1.8 4.13 661 490 A 26 ILE HG2% A 27 ALA H 1.0 1.8 5.65 662 491 A 26 ILE HG2% A 53 HIS HE1 1.0 1.8 6.05 663 492 A 26 ILE HD1% A 26 ILE H 1.0 1.8 5.05 664 493 A 26 ILE H A 26 ILE HG1y 1.0 1.8 4.47 665 493 A 26 ILE H A 26 ILE HG1x 1.0 1.8 4.47 666 494 A 26 ILE H A 27 ALA H 1.0 1.8 5.27 667 495 A 27 ALA HA A 38 THR HB 1.0 1.8 4.43 668 496 A 27 ALA HA A 38 THR HG2% 1.0 1.8 4.22 669 497 A 27 ALA HB% A 28 ARG H 1.0 1.8 4.39 670 498 A 27 ALA HB% A 38 THR HB 1.0 1.8 4.63 671 499 A 27 ALA HB% A 38 THR HG2% 1.0 1.8 4.25 672 500 A 27 ALA HB% A 41 SER HBy 1.0 1.8 5.40 673 500 A 27 ALA HB% A 41 SER HBx 1.0 1.8 5.40 674 501 A 27 ALA H A 28 ARG H 1.0 1.8 4.30 675 502 A 28 ARG HBx A 28 ARG HDy 1.0 1.8 3.50 676 502 A 28 ARG HBy A 28 ARG HDy 1.0 1.8 3.50 677 502 A 28 ARG HDx A 28 ARG HBy 1.0 1.8 3.50 678 502 A 28 ARG HDx A 28 ARG HBx 1.0 1.8 3.50 679 503 A 131 TYR HE% A 28 ARG HDy 1.0 1.8 4.08 680 503 A 131 TYR HE% A 28 ARG HDx 1.0 1.8 4.08 681 504 A 28 ARG H A 28 ARG HBy 1.0 1.8 3.84 682 504 A 28 ARG H A 28 ARG HBx 1.0 1.8 3.84 683 505 A 28 ARG H A 28 ARG HGy 1.0 1.8 4.10 684 505 A 28 ARG HGx A 28 ARG H 1.0 1.8 4.10 685 506 A 28 ARG H A 29 TRP H 1.0 1.8 4.28 686 507 A 29 TRP HBx A 131 TYR HBy 1.0 1.8 4.95 687 507 A 29 TRP HBy A 131 TYR HBy 1.0 1.8 4.95 688 507 A 131 TYR HBx A 29 TRP HBy 1.0 1.8 4.95 689 507 A 29 TRP HBx A 131 TYR HBx 1.0 1.8 4.95 690 508 A 29 TRP HZ3 A 29 TRP HBy 1.0 1.8 6.05 691 508 A 29 TRP HBx A 29 TRP HZ3 1.0 1.8 6.05 692 509 A 29 TRP HE3 A 124 ILE HG2% 1.0 1.8 4.03 693 510 A 29 TRP H A 30 ASN H 1.0 1.8 4.87 694 511 A 29 TRP HZ3 A 124 ILE HG2% 1.0 1.8 4.20 695 512 A 29 TRP HZ3 A 30 ASN HA 1.0 1.8 4.46 696 513 A 124 ILE HG2% A 30 ASN HA 1.0 1.8 4.51 697 514 A 31 ALA HA A 32 ALA H 1.0 1.8 3.90 698 515 A 31 ALA HA A 33 SER H 1.0 1.8 5.37 699 516 A 31 ALA HA A 55 MET HE% 1.0 1.8 4.21 700 517 A 33 SER H A 31 ALA HB% 1.0 1.8 4.43 701 518 A 31 ALA HB% A 36 TRP HBx 1.0 1.8 4.69 702 518 A 31 ALA HB% A 36 TRP HBy 1.0 1.8 4.69 703 519 A 31 ALA HB% A 36 TRP H 1.0 1.8 4.94 704 520 A 31 ALA HB% A 37 HIS HA 1.0 1.8 4.33 705 521 A 32 ALA HA A 124 ILE HD1% 1.0 1.8 4.81 706 522 A 32 ALA HA A 124 ILE HG1x 1.0 1.8 4.89 707 522 A 32 ALA HA A 124 ILE HG1y 1.0 1.8 4.89 708 523 A 124 ILE HD1% A 32 ALA HB% 1.0 1.8 4.66 709 524 A 32 ALA HB% A 33 SER HBy 1.0 1.8 4.99 710 524 A 32 ALA HB% A 33 SER HBx 1.0 1.8 4.99 711 525 A 33 SER H A 32 ALA HB% 1.0 1.8 4.41 712 526 A 32 ALA H A 33 SER H 1.0 1.8 4.70 713 527 A 32 ALA H A 55 MET HE% 1.0 1.8 5.26 714 528 A 35 ASP H A 33 SER HBy 1.0 1.8 4.50 715 528 A 33 SER HBx A 35 ASP H 1.0 1.8 4.50 716 529 A 36 TRP HD1 A 33 SER HBy 1.0 1.8 5.07 717 529 A 33 SER HBx A 36 TRP HD1 1.0 1.8 5.07 718 530 A 36 TRP H A 33 SER HBy 1.0 1.8 5.25 719 530 A 36 TRP H A 33 SER HBx 1.0 1.8 5.25 720 531 A 33 SER HBx A 34 SER H 1.0 1.8 6.05 721 532 A 34 SER H A 33 SER HBy 1.0 1.8 6.05 722 533 A 33 SER H A 36 TRP HBx 1.0 1.8 5.01 723 533 A 33 SER H A 36 TRP HBy 1.0 1.8 5.01 724 534 A 33 SER H A 36 TRP H 1.0 1.8 5.29 725 535 A 36 TRP H A 34 SER HA 1.0 1.8 5.06 726 536 A 35 ASP H A 34 SER HBx 1.0 1.8 5.58 727 537 A 35 ASP H A 34 SER HBy 1.0 1.8 5.58 728 538 A 36 TRP HD1 A 35 ASP HBx 1.0 1.8 4.20 729 538 A 36 TRP HD1 A 35 ASP HBy 1.0 1.8 4.20 730 539 A 36 TRP HE1 A 35 ASP HBx 1.0 1.8 5.24 731 539 A 35 ASP HBy A 36 TRP HE1 1.0 1.8 5.24 732 540 A 36 TRP H A 35 ASP H 1.0 1.8 3.89 733 541 A 36 TRP HD1 A 36 TRP HA 1.0 1.8 4.94 734 542 A 36 TRP HA A 37 HIS HD2 1.0 1.8 6.02 735 543 A 36 TRP HA A 57 ALA HA 1.0 1.8 4.06 736 544 A 36 TRP HA A 57 ALA HB% 1.0 1.8 4.73 737 545 A 36 TRP HA A 58 LYS H 1.0 1.8 4.26 738 546 A 36 TRP HE3 A 36 TRP HBx 1.0 1.8 3.84 739 546 A 36 TRP HBy A 36 TRP HE3 1.0 1.8 3.84 740 547 A 37 HIS H A 36 TRP HBx 1.0 1.8 5.81 741 548 A 36 TRP HBy A 37 HIS H 1.0 1.8 5.81 742 549 A 36 TRP HE1 A 57 ALA HB% 1.0 1.8 4.38 743 550 A 36 TRP HE3 A 56 ALA H 1.0 1.8 5.36 744 551 A 57 ALA HA A 36 TRP HE3 1.0 1.8 6.05 745 552 A 36 TRP HH2 A 62 ALA HB% 1.0 1.8 3.99 746 553 A 36 TRP HH2 A 63 GLY HAy 1.0 1.8 4.36 747 553 A 36 TRP HH2 A 63 GLY HAx 1.0 1.8 4.36 748 554 A 36 TRP HH2 A 63 GLY H 1.0 1.8 4.99 749 555 A 36 TRP H A 36 TRP HBx 1.0 1.8 3.71 750 555 A 36 TRP HBy A 36 TRP H 1.0 1.8 3.71 751 556 A 36 TRP H A 36 TRP HD1 1.0 1.8 4.91 752 557 A 62 ALA HB% A 36 TRP HZ2 1.0 1.8 3.86 753 558 A 36 TRP HZ3 A 56 ALA HA 1.0 1.8 5.26 754 559 A 36 TRP HZ3 A 63 GLY HAy 1.0 1.8 4.48 755 559 A 63 GLY HAx A 36 TRP HZ3 1.0 1.8 4.48 756 560 A 37 HIS HD2 A 56 ALA HB% 1.0 1.8 5.00 757 561 A 37 HIS HD2 A 56 ALA H 1.0 1.8 6.05 758 562 A 37 HIS HD2 A 37 HIS H 1.0 1.8 4.52 759 563 A 37 HIS H A 56 ALA H 1.0 1.8 5.14 760 564 A 38 THR HG2% A 38 THR HA 1.0 1.8 4.13 761 565 A 38 THR HA A 55 MET HA 1.0 1.8 4.49 762 566 A 56 ALA H A 38 THR HA 1.0 1.8 5.38 763 567 A 38 THR HG2% A 39 THR H 1.0 1.8 4.35 764 568 A 38 THR HG2% A 40 GLY HAx 1.0 1.8 5.85 765 569 A 38 THR HG2% A 40 GLY HAy 1.0 1.8 5.85 766 570 A 38 THR HG2% A 40 GLY H 1.0 1.8 4.16 767 571 A 38 THR HG2% A 41 SER HBy 1.0 1.8 4.31 768 571 A 38 THR HG2% A 41 SER HBx 1.0 1.8 4.31 769 572 A 38 THR HG2% A 41 SER H 1.0 1.8 5.30 770 573 A 38 THR HG2% A 54 HIS H 1.0 1.8 4.39 771 574 A 38 THR HG2% A 38 THR H 1.0 1.8 4.69 772 575 A 39 THR HA A 39 THR HG2% 1.0 1.8 4.02 773 576 A 40 GLY H A 39 THR HB 1.0 1.8 6.05 774 577 A 56 ALA HB% A 39 THR HG2% 1.0 1.8 3.70 775 578 A 39 THR H A 39 THR HG2% 1.0 1.8 4.47 776 579 A 39 THR H A 40 GLY H 1.0 1.8 4.73 777 580 A 55 MET HA A 39 THR H 1.0 1.8 5.44 778 581 A 41 SER H A 40 GLY HAx 1.0 1.8 3.28 779 581 A 41 SER H A 40 GLY HAy 1.0 1.8 3.28 780 582 A 40 GLY H A 41 SER H 1.0 1.8 5.38 781 583 A 40 GLY H A 54 HIS HBx 1.0 1.8 5.68 782 584 A 40 GLY H A 54 HIS HBy 1.0 1.8 5.68 783 585 A 40 GLY H A 54 HIS H 1.0 1.8 5.05 784 586 A 41 SER HA A 42 ARG H 1.0 1.8 3.70 785 587 A 41 SER H A 41 SER HBy 1.0 1.8 3.79 786 587 A 41 SER HBx A 41 SER H 1.0 1.8 3.79 787 588 A 42 ARG HA A 43 VAL H 1.0 1.8 3.21 788 589 A 51 PHE HA A 42 ARG HBy 1.0 1.8 5.56 789 589 A 42 ARG HBx A 51 PHE HA 1.0 1.8 5.56 790 590 A 42 ARG HBy A 52 CYS HBx 1.0 1.8 4.95 791 590 A 42 ARG HBx A 52 CYS HBx 1.0 1.8 4.95 792 590 A 52 CYS HBy A 42 ARG HBy 1.0 1.8 4.95 793 590 A 42 ARG HBx A 52 CYS HBy 1.0 1.8 4.95 794 591 A 52 CYS H A 42 ARG HBy 1.0 1.8 4.83 795 591 A 42 ARG HBx A 52 CYS H 1.0 1.8 4.83 796 592 A 43 VAL H A 42 ARG HBx 1.0 1.8 5.08 797 593 A 43 VAL H A 42 ARG HBy 1.0 1.8 5.08 798 594 A 43 VAL H A 42 ARG HDx 1.0 1.8 5.60 799 594 A 43 VAL H A 42 ARG HDy 1.0 1.8 5.60 800 595 A 43 VAL H A 42 ARG HGy 1.0 1.8 5.87 801 595 A 43 VAL H A 42 ARG HGx 1.0 1.8 5.87 802 596 A 42 ARG H A 52 CYS H 1.0 1.8 4.32 803 597 A 43 VAL HA A 43 VAL HG1% 1.0 1.8 3.77 804 598 A 43 VAL HG2% A 43 VAL HA 1.0 1.8 3.83 805 599 A 43 VAL HA A 44 ASP H 1.0 1.8 3.43 806 600 A 51 PHE HA A 43 VAL HA 1.0 1.8 4.10 807 601 A 43 VAL HA A 51 PHE HBy 1.0 1.8 4.40 808 601 A 43 VAL HA A 51 PHE HBx 1.0 1.8 4.40 809 602 A 52 CYS H A 43 VAL HA 1.0 1.8 4.85 810 603 A 43 VAL HB A 44 ASP HA 1.0 1.8 6.05 811 604 A 44 ASP H A 43 VAL HB 1.0 1.8 5.18 812 605 A 43 VAL HG1% A 44 ASP HA 1.0 1.8 5.03 813 606 A 43 VAL HG1% A 44 ASP H 1.0 1.8 4.10 814 607 A 43 VAL HG1% A 45 LEU HA 1.0 1.8 4.41 815 608 A 43 VAL HG1% A 45 LEU HBx 1.0 1.8 5.50 816 609 A 43 VAL HG1% A 45 LEU HBy 1.0 1.8 5.50 817 610 A 45 LEU HD1% A 43 VAL HG1% 1.0 1.8 3.76 818 611 A 43 VAL HG1% A 45 LEU H 1.0 1.8 3.93 819 612 A 51 PHE HA A 43 VAL HG1% 1.0 1.8 4.99 820 613 A 43 VAL HG1% A 51 PHE HBy 1.0 1.8 4.06 821 613 A 43 VAL HG1% A 51 PHE HBx 1.0 1.8 4.06 822 614 A 43 VAL HG1% A 70 PHE HE% 1.0 1.8 3.47 823 615 A 43 VAL HG2% A 44 ASP H 1.0 1.8 4.74 824 616 A 43 VAL HG2% A 51 PHE HA 1.0 1.8 4.62 825 617 A 43 VAL HG2% A 51 PHE HBy 1.0 1.8 3.87 826 617 A 43 VAL HG2% A 51 PHE HBx 1.0 1.8 3.87 827 618 A 43 VAL HG2% A 52 CYS H 1.0 1.8 4.85 828 619 A 43 VAL HG2% A 53 HIS HE1 1.0 1.8 3.22 829 620 A 43 VAL HG2% A 70 PHE HZ 1.0 1.8 4.91 830 621 A 43 VAL H A 43 VAL HB 1.0 1.8 3.92 831 622 A 43 VAL H A 43 VAL HG1% 1.0 1.8 4.72 832 623 A 43 VAL HG2% A 43 VAL H 1.0 1.8 4.23 833 624 A 43 VAL H A 44 ASP H 1.0 1.8 5.27 834 625 A 44 ASP HA A 45 LEU HBx 1.0 1.8 6.05 835 626 A 44 ASP HA A 45 LEU HBy 1.0 1.8 6.05 836 627 A 44 ASP HA A 45 LEU H 1.0 1.8 2.99 837 628 A 44 ASP HA A 46 VAL HG1% 1.0 1.8 5.78 838 629 A 45 LEU H A 44 ASP HBx 1.0 1.8 4.31 839 629 A 45 LEU H A 44 ASP HBy 1.0 1.8 4.31 840 630 A 46 VAL HG1% A 44 ASP HBx 1.0 1.8 4.95 841 630 A 46 VAL HG1% A 44 ASP HBy 1.0 1.8 4.95 842 631 A 44 ASP HBy A 49 GLY HAy 1.0 1.8 4.19 843 631 A 44 ASP HBx A 49 GLY HAy 1.0 1.8 4.19 844 631 A 49 GLY HAx A 44 ASP HBx 1.0 1.8 4.19 845 631 A 44 ASP HBy A 49 GLY HAx 1.0 1.8 4.19 846 632 A 50 ARG H A 44 ASP HBx 1.0 1.8 3.58 847 632 A 44 ASP HBy A 50 ARG H 1.0 1.8 3.58 848 633 A 46 VAL HG2% A 44 ASP HBx 1.0 1.8 4.94 849 634 A 44 ASP HBy A 46 VAL HG2% 1.0 1.8 4.94 850 635 A 44 ASP H A 44 ASP HBx 1.0 1.8 3.71 851 635 A 44 ASP H A 44 ASP HBy 1.0 1.8 3.71 852 636 A 44 ASP H A 45 LEU H 1.0 1.8 4.97 853 637 A 51 PHE HA A 44 ASP H 1.0 1.8 4.61 854 638 A 44 ASP H A 51 PHE HBy 1.0 1.8 3.79 855 638 A 44 ASP H A 51 PHE HBx 1.0 1.8 3.79 856 639 A 44 ASP H A 70 PHE HE% 1.0 1.8 4.55 857 640 A 45 LEU HD1% A 45 LEU HA 1.0 1.8 3.63 858 641 A 45 LEU HD2% A 45 LEU HA 1.0 1.8 4.96 859 642 A 45 LEU HA A 46 VAL H 1.0 1.8 3.50 860 643 A 45 LEU HA A 70 PHE HD% 1.0 1.8 5.87 861 644 A 45 LEU HA A 70 PHE HE% 1.0 1.8 4.52 862 645 A 45 LEU HD1% A 45 LEU HBx 1.0 1.8 4.14 863 646 A 45 LEU HD2% A 45 LEU HBx 1.0 1.8 4.23 864 647 A 45 LEU HD1% A 45 LEU HBy 1.0 1.8 4.14 865 648 A 45 LEU HD2% A 45 LEU HBy 1.0 1.8 4.23 866 649 A 45 LEU HD1% A 46 VAL H 1.0 1.8 4.68 867 650 A 45 LEU HD1% A 70 PHE HD% 1.0 1.8 4.53 868 651 A 45 LEU HD1% A 73 VAL HG1% 1.0 1.8 3.75 869 652 A 45 LEU HD1% A 73 VAL HG2% 1.0 1.8 3.84 870 653 A 45 LEU HD1% A 79 LEU HD1% 1.0 1.8 3.56 871 654 A 45 LEU HD1% A 79 LEU HD2% 1.0 1.8 4.02 872 655 A 73 VAL HG1% A 45 LEU HG 1.0 1.8 3.92 873 656 A 73 VAL HG2% A 45 LEU HG 1.0 1.8 4.31 874 657 A 45 LEU HBx A 45 LEU H 1.0 1.8 3.44 875 658 A 45 LEU HBy A 45 LEU H 1.0 1.8 3.44 876 659 A 45 LEU HD1% A 45 LEU H 1.0 1.8 4.46 877 660 A 45 LEU HD2% A 45 LEU H 1.0 1.8 4.88 878 661 A 45 LEU H A 45 LEU HG 1.0 1.8 5.17 879 662 A 45 LEU H A 46 VAL H 1.0 1.8 4.93 880 663 A 46 VAL HG1% A 46 VAL HA 1.0 1.8 3.34 881 664 A 46 VAL HA A 47 VAL HA 1.0 1.8 5.38 882 665 A 46 VAL HA A 47 VAL HB 1.0 1.8 5.80 883 666 A 46 VAL HA A 47 VAL HG2% 1.0 1.8 4.36 884 667 A 46 VAL HA A 47 VAL H 1.0 1.8 3.01 885 668 A 73 VAL HG2% A 46 VAL HA 1.0 1.8 3.98 886 669 A 47 VAL H A 46 VAL HB 1.0 1.8 3.31 887 670 A 46 VAL HG1% A 47 VAL H 1.0 1.8 4.42 888 671 A 46 VAL HG1% A 70 PHE HD% 1.0 1.8 6.05 889 672 A 46 VAL HG2% A 47 VAL H 1.0 1.8 4.30 890 673 A 46 VAL HG2% A 48 GLY H 1.0 1.8 5.13 891 674 A 46 VAL HG2% A 49 GLY HAy 1.0 1.8 3.20 892 674 A 49 GLY HAx A 46 VAL HG2% 1.0 1.8 3.20 893 675 A 46 VAL HG2% A 49 GLY H 1.0 1.8 3.51 894 676 A 50 ARG H A 46 VAL HG2% 1.0 1.8 5.04 895 677 A 46 VAL HG2% A 70 PHE HD% 1.0 1.8 5.28 896 678 A 46 VAL HG1% A 46 VAL H 1.0 1.8 4.07 897 679 A 46 VAL HG2% A 46 VAL H 1.0 1.8 3.74 898 680 A 46 VAL H A 47 VAL H 1.0 1.8 5.20 899 681 A 46 VAL H A 70 PHE HD% 1.0 1.8 4.32 900 682 A 46 VAL H A 73 VAL HG2% 1.0 1.8 4.85 901 683 A 47 VAL HA A 47 VAL HG1% 1.0 1.8 3.51 902 684 A 47 VAL HA A 47 VAL HG2% 1.0 1.8 3.45 903 685 A 47 VAL HA A 48 GLY HAx 1.0 1.8 5.80 904 685 A 47 VAL HA A 48 GLY HAy 1.0 1.8 5.80 905 686 A 47 VAL HA A 48 GLY H 1.0 1.8 3.03 906 687 A 47 VAL HA A 49 GLY H 1.0 1.8 4.09 907 688 A 47 VAL HA A 70 PHE HBx 1.0 1.8 4.61 908 688 A 47 VAL HA A 70 PHE HBy 1.0 1.8 4.61 909 689 A 73 VAL HG2% A 47 VAL HA 1.0 1.8 4.43 910 690 A 47 VAL HB A 48 GLY HAx 1.0 1.8 6.05 911 690 A 47 VAL HB A 48 GLY HAy 1.0 1.8 6.05 912 691 A 48 GLY H A 47 VAL HG1% 1.0 1.8 3.81 913 692 A 49 GLY H A 47 VAL HG1% 1.0 1.8 5.43 914 693 A 47 VAL HG1% A 71 THR HA 1.0 1.8 4.06 915 694 A 47 VAL HG1% A 72 ARG H 1.0 1.8 5.37 916 695 A 47 VAL HG1% A 73 VAL H 1.0 1.8 6.01 917 696 A 47 VAL HG2% A 48 GLY H 1.0 1.8 4.61 918 697 A 47 VAL HG2% A 72 ARG HA 1.0 1.8 3.51 919 698 A 47 VAL HG2% A 72 ARG H 1.0 1.8 5.54 920 699 A 47 VAL HG2% A 73 VAL HB 1.0 1.8 4.10 921 700 A 73 VAL HG2% A 47 VAL HG2% 1.0 1.8 3.40 922 701 A 47 VAL HG2% A 73 VAL H 1.0 1.8 3.41 923 702 A 47 VAL HB A 47 VAL H 1.0 1.8 3.17 924 703 A 47 VAL H A 47 VAL HG1% 1.0 1.8 4.32 925 704 A 47 VAL HG2% A 47 VAL H 1.0 1.8 3.10 926 705 A 73 VAL HG2% A 47 VAL H 1.0 1.8 4.15 927 706 A 69 THR HG2% A 48 GLY HAx 1.0 1.8 4.72 928 707 A 48 GLY HAy A 69 THR HG2% 1.0 1.8 4.72 929 708 A 48 GLY H A 69 THR HG2% 1.0 1.8 4.33 930 709 A 48 GLY H A 70 PHE HBx 1.0 1.8 4.71 931 710 A 48 GLY H A 70 PHE HBy 1.0 1.8 4.71 932 711 A 70 PHE HD% A 48 GLY H 1.0 1.8 5.20 933 712 A 48 GLY H A 70 PHE H 1.0 1.8 4.59 934 713 A 48 GLY H A 71 THR HA 1.0 1.8 4.58 935 714 A 48 GLY H A 72 ARG H 1.0 1.8 6.05 936 715 A 50 ARG H A 49 GLY HAy 1.0 1.8 3.20 937 715 A 49 GLY HAx A 50 ARG H 1.0 1.8 3.20 938 716 A 69 THR HG2% A 49 GLY HAy 1.0 1.8 5.40 939 716 A 49 GLY HAx A 69 THR HG2% 1.0 1.8 5.40 940 717 A 70 PHE H A 49 GLY HAy 1.0 1.8 4.97 941 717 A 49 GLY HAx A 70 PHE H 1.0 1.8 4.97 942 718 A 50 ARG H A 49 GLY H 1.0 1.8 5.18 943 719 A 49 GLY H A 69 THR HG2% 1.0 1.8 4.65 944 720 A 49 GLY H A 70 PHE HBx 1.0 1.8 5.52 945 721 A 49 GLY H A 70 PHE HBy 1.0 1.8 5.52 946 722 A 70 PHE HD% A 49 GLY H 1.0 1.8 4.47 947 723 A 49 GLY H A 70 PHE H 1.0 1.8 4.53 948 724 A 50 ARG HA A 50 ARG HDy 1.0 1.8 4.17 949 724 A 50 ARG HA A 50 ARG HDx 1.0 1.8 4.17 950 725 A 50 ARG HA A 51 PHE H 1.0 1.8 3.56 951 726 A 50 ARG HA A 69 THR HA 1.0 1.8 3.77 952 727 A 69 THR HG2% A 50 ARG HA 1.0 1.8 4.70 953 728 A 70 PHE H A 50 ARG HA 1.0 1.8 4.50 954 729 A 50 ARG HBy A 50 ARG HDy 1.0 1.8 3.56 955 729 A 50 ARG HBx A 50 ARG HDy 1.0 1.8 3.56 956 729 A 50 ARG HDx A 50 ARG HBy 1.0 1.8 3.56 957 729 A 50 ARG HDx A 50 ARG HBx 1.0 1.8 3.56 958 730 A 51 PHE HA A 50 ARG HBy 1.0 1.8 5.87 959 730 A 51 PHE HA A 50 ARG HBx 1.0 1.8 5.87 960 731 A 51 PHE H A 50 ARG HBy 1.0 1.8 4.16 961 731 A 51 PHE H A 50 ARG HBx 1.0 1.8 4.16 962 732 A 51 PHE H A 50 ARG HDy 1.0 1.8 5.87 963 732 A 50 ARG HDx A 51 PHE H 1.0 1.8 5.87 964 733 A 69 THR HA A 50 ARG HGy 1.0 1.8 4.40 965 733 A 69 THR HA A 50 ARG HGx 1.0 1.8 4.40 966 734 A 69 THR HG2% A 50 ARG HGy 1.0 1.8 4.22 967 734 A 69 THR HG2% A 50 ARG HGx 1.0 1.8 4.22 968 735 A 50 ARG H A 50 ARG HBy 1.0 1.8 3.48 969 735 A 50 ARG H A 50 ARG HBx 1.0 1.8 3.48 970 736 A 50 ARG H A 50 ARG HGy 1.0 1.8 4.29 971 736 A 50 ARG H A 50 ARG HGx 1.0 1.8 4.29 972 737 A 50 ARG H A 51 PHE H 1.0 1.8 5.72 973 738 A 50 ARG H A 69 THR HA 1.0 1.8 5.30 974 739 A 51 PHE HA A 51 PHE HD% 1.0 1.8 4.62 975 740 A 51 PHE HA A 52 CYS H 1.0 1.8 3.50 976 741 A 52 CYS H A 51 PHE HBy 1.0 1.8 3.95 977 741 A 52 CYS H A 51 PHE HBx 1.0 1.8 3.95 978 742 A 70 PHE HE% A 51 PHE HBy 1.0 1.8 4.52 979 742 A 51 PHE HBx A 70 PHE HE% 1.0 1.8 4.52 980 743 A 52 CYS H A 51 PHE HD% 1.0 1.8 4.87 981 744 A 51 PHE HD% A 53 HIS HD2 1.0 1.8 4.72 982 744 A 51 PHE HD% A 53 HIS HD1 1.0 1.8 4.72 983 745 A 70 PHE HE% A 51 PHE HD% 1.0 1.8 5.31 984 746 A 51 PHE H A 51 PHE HD% 1.0 1.8 4.36 985 747 A 52 CYS H A 51 PHE H 1.0 1.8 6.05 986 748 A 51 PHE H A 68 GLY H 1.0 1.8 4.60 987 749 A 51 PHE H A 69 THR HA 1.0 1.8 4.92 988 750 A 52 CYS HA A 53 HIS H 1.0 1.8 3.90 989 751 A 52 CYS HA A 67 THR HB 1.0 1.8 4.48 990 752 A 52 CYS HA A 67 THR HG2% 1.0 1.8 4.10 991 753 A 68 GLY H A 52 CYS HA 1.0 1.8 5.68 992 754 A 67 THR HG2% A 52 CYS HBx 1.0 1.8 4.34 993 754 A 52 CYS HBy A 67 THR HG2% 1.0 1.8 4.34 994 755 A 54 HIS H A 53 HIS HA 1.0 1.8 3.70 995 756 A 53 HIS HBx A 66 PHE HBy 1.0 1.8 5.26 996 756 A 53 HIS HBy A 66 PHE HBy 1.0 1.8 5.26 997 756 A 66 PHE HBx A 53 HIS HBy 1.0 1.8 5.26 998 756 A 53 HIS HBx A 66 PHE HBx 1.0 1.8 5.26 999 757 A 53 HIS HD2 A 66 PHE HD% 1.0 1.8 4.69 1000 758 A 53 HIS H A 67 THR HA 1.0 1.8 5.50 1001 759 A 53 HIS H A 67 THR HG2% 1.0 1.8 5.49 1002 760 A 54 HIS HA A 55 MET H 1.0 1.8 3.72 1003 761 A 54 HIS HA A 65 ASP HA 1.0 1.8 4.14 1004 762 A 54 HIS HA A 66 PHE H 1.0 1.8 5.05 1005 763 A 55 MET HE% A 124 ILE HD1% 1.0 1.8 4.37 1006 764 A 55 MET HE% A 55 MET HGy 1.0 1.8 3.65 1007 764 A 55 MET HE% A 55 MET HGx 1.0 1.8 3.65 1008 765 A 64 PHE H A 55 MET HGy 1.0 1.8 5.54 1009 765 A 55 MET HGx A 64 PHE H 1.0 1.8 5.54 1010 766 A 55 MET H A 55 MET HGy 1.0 1.8 4.63 1011 766 A 55 MET H A 55 MET HGx 1.0 1.8 4.63 1012 767 A 55 MET H A 64 PHE H 1.0 1.8 4.77 1013 768 A 55 MET H A 65 ASP HA 1.0 1.8 4.81 1014 769 A 55 MET H A 66 PHE H 1.0 1.8 6.05 1015 770 A 56 ALA HA A 63 GLY HAy 1.0 1.8 4.54 1016 770 A 63 GLY HAx A 56 ALA HA 1.0 1.8 4.54 1017 771 A 56 ALA HA A 64 PHE H 1.0 1.8 5.87 1018 772 A 56 ALA HB% A 57 ALA H 1.0 1.8 4.28 1019 773 A 56 ALA HB% A 63 GLY HAy 1.0 1.8 4.08 1020 773 A 63 GLY HAx A 56 ALA HB% 1.0 1.8 4.08 1021 774 A 57 ALA HB% A 58 LYS H 1.0 1.8 4.27 1022 775 A 57 ALA HB% A 59 ASP H 1.0 1.8 3.71 1023 776 A 57 ALA HB% A 60 GLY HAx 1.0 1.8 5.59 1024 777 A 57 ALA HB% A 60 GLY HAy 1.0 1.8 5.59 1025 778 A 57 ALA HB% A 60 GLY H 1.0 1.8 4.07 1026 779 A 57 ALA HB% A 61 SER H 1.0 1.8 4.10 1027 780 A 57 ALA HB% A 62 ALA HB% 1.0 1.8 3.95 1028 781 A 57 ALA HB% A 62 ALA H 1.0 1.8 4.63 1029 782 A 57 ALA HB% A 63 GLY HAy 1.0 1.8 5.87 1030 782 A 57 ALA HB% A 63 GLY HAx 1.0 1.8 5.87 1031 783 A 59 ASP H A 58 LYS HBy 1.0 1.8 3.86 1032 783 A 59 ASP H A 58 LYS HBx 1.0 1.8 3.86 1033 784 A 58 LYS HEx A 58 LYS HGy 1.0 1.8 3.70 1034 784 A 58 LYS HGx A 58 LYS HEx 1.0 1.8 3.70 1035 784 A 58 LYS HGx A 58 LYS HEy 1.0 1.8 3.70 1036 784 A 58 LYS HEy A 58 LYS HGy 1.0 1.8 3.70 1037 785 A 58 LYS H A 58 LYS HDx 1.0 1.8 5.92 1038 786 A 58 LYS H A 58 LYS HDy 1.0 1.8 5.92 1039 787 A 58 LYS H A 58 LYS HEx 1.0 1.8 5.68 1040 787 A 58 LYS H A 58 LYS HEy 1.0 1.8 5.68 1041 788 A 58 LYS H A 58 LYS HGy 1.0 1.8 4.61 1042 788 A 58 LYS H A 58 LYS HGx 1.0 1.8 4.61 1043 789 A 58 LYS H A 59 ASP H 1.0 1.8 4.09 1044 790 A 59 ASP H A 59 ASP HBy 1.0 1.8 3.54 1045 790 A 59 ASP H A 59 ASP HBx 1.0 1.8 3.54 1046 791 A 60 GLY HAx A 62 ALA H 1.0 1.8 6.05 1047 792 A 60 GLY HAy A 62 ALA H 1.0 1.8 6.05 1048 793 A 60 GLY H A 61 SER H 1.0 1.8 4.42 1049 794 A 61 SER H A 61 SER HBx 1.0 1.8 4.25 1050 795 A 61 SER H A 61 SER HBy 1.0 1.8 4.25 1051 796 A 61 SER H A 62 ALA H 1.0 1.8 4.03 1052 797 A 63 GLY H A 62 ALA HA 1.0 1.8 3.17 1053 798 A 62 ALA HB% A 63 GLY HAy 1.0 1.8 5.07 1054 798 A 62 ALA HB% A 63 GLY HAx 1.0 1.8 5.07 1055 799 A 62 ALA HB% A 63 GLY H 1.0 1.8 3.44 1056 800 A 63 GLY H A 62 ALA H 1.0 1.8 5.31 1057 801 A 64 PHE HA A 64 PHE HD% 1.0 1.8 4.73 1058 802 A 64 PHE HA A 65 ASP H 1.0 1.8 3.48 1059 803 A 65 ASP H A 64 PHE HBy 1.0 1.8 3.82 1060 803 A 65 ASP H A 64 PHE HBx 1.0 1.8 3.82 1061 804 A 64 PHE HD% A 65 ASP H 1.0 1.8 4.89 1062 805 A 64 PHE H A 65 ASP H 1.0 1.8 4.91 1063 806 A 65 ASP HA A 66 PHE H 1.0 1.8 3.88 1064 807 A 67 THR HG2% A 65 ASP HBy 1.0 1.8 4.18 1065 807 A 67 THR HG2% A 65 ASP HBx 1.0 1.8 4.18 1066 808 A 65 ASP H A 65 ASP HBy 1.0 1.8 3.70 1067 808 A 65 ASP H A 65 ASP HBx 1.0 1.8 3.70 1068 809 A 66 PHE H A 65 ASP H 1.0 1.8 6.05 1069 810 A 67 THR HG2% A 65 ASP H 1.0 1.8 6.05 1070 811 A 66 PHE HD% A 66 PHE HA 1.0 1.8 4.52 1071 812 A 66 PHE HA A 67 THR H 1.0 1.8 3.36 1072 813 A 66 PHE HD% A 67 THR H 1.0 1.8 5.00 1073 814 A 66 PHE H A 67 THR H 1.0 1.8 5.60 1074 815 A 67 THR HG2% A 67 THR HA 1.0 1.8 4.06 1075 816 A 68 GLY H A 67 THR HB 1.0 1.8 4.62 1076 817 A 68 GLY H A 67 THR HG2% 1.0 1.8 4.86 1077 818 A 67 THR HG2% A 67 THR H 1.0 1.8 3.81 1078 819 A 68 GLY H A 67 THR H 1.0 1.8 5.72 1079 820 A 69 THR H A 68 GLY HAx 1.0 1.8 3.10 1080 820 A 68 GLY HAy A 69 THR H 1.0 1.8 3.10 1081 821 A 81 PHE HD% A 68 GLY HAx 1.0 1.8 4.99 1082 821 A 68 GLY HAy A 81 PHE HD% 1.0 1.8 4.99 1083 822 A 84 ASP H A 68 GLY HAx 1.0 1.8 5.57 1084 822 A 68 GLY HAy A 84 ASP H 1.0 1.8 5.57 1085 823 A 83 MET HA A 68 GLY HAx 1.0 1.8 4.48 1086 824 A 68 GLY HAy A 83 MET HA 1.0 1.8 4.48 1087 825 A 69 THR HG2% A 69 THR HA 1.0 1.8 3.65 1088 826 A 69 THR HA A 70 PHE HBx 1.0 1.8 5.21 1089 826 A 70 PHE HBy A 69 THR HA 1.0 1.8 5.21 1090 827 A 70 PHE H A 69 THR HA 1.0 1.8 3.29 1091 828 A 70 PHE H A 69 THR HB 1.0 1.8 5.04 1092 829 A 69 THR HB A 82 VAL HB 1.0 1.8 5.62 1093 830 A 69 THR HB A 82 VAL H 1.0 1.8 4.58 1094 831 A 69 THR HG2% A 70 PHE HBx 1.0 1.8 5.26 1095 831 A 70 PHE HBy A 69 THR HG2% 1.0 1.8 5.26 1096 832 A 69 THR HG2% A 70 PHE H 1.0 1.8 3.55 1097 833 A 69 THR H A 69 THR HB 1.0 1.8 3.79 1098 834 A 69 THR HG2% A 69 THR H 1.0 1.8 4.86 1099 835 A 70 PHE H A 69 THR H 1.0 1.8 5.06 1100 836 A 69 THR H A 81 PHE HA 1.0 1.8 5.48 1101 837 A 69 THR H A 81 PHE HBx 1.0 1.8 4.98 1102 837 A 69 THR H A 81 PHE HBy 1.0 1.8 4.98 1103 838 A 69 THR H A 81 PHE HD% 1.0 1.8 5.25 1104 839 A 69 THR H A 82 VAL HB 1.0 1.8 5.38 1105 840 A 69 THR H A 82 VAL HG1% 1.0 1.8 4.74 1106 841 A 69 THR H A 82 VAL H 1.0 1.8 3.89 1107 842 A 69 THR H A 83 MET HA 1.0 1.8 4.73 1108 843 A 70 PHE HD% A 70 PHE HA 1.0 1.8 4.17 1109 844 A 70 PHE HE% A 70 PHE HA 1.0 1.8 5.53 1110 845 A 70 PHE HA A 71 THR H 1.0 1.8 3.79 1111 846 A 72 ARG H A 70 PHE HA 1.0 1.8 4.59 1112 847 A 81 PHE HA A 70 PHE HA 1.0 1.8 4.09 1113 848 A 70 PHE HA A 81 PHE HBx 1.0 1.8 4.69 1114 849 A 81 PHE HBy A 70 PHE HA 1.0 1.8 4.69 1115 850 A 81 PHE HD% A 70 PHE HA 1.0 1.8 6.05 1116 851 A 82 VAL H A 70 PHE HA 1.0 1.8 4.43 1117 852 A 72 ARG H A 70 PHE HBx 1.0 1.8 4.55 1118 852 A 70 PHE HBy A 72 ARG H 1.0 1.8 4.55 1119 853 A 79 LEU HD1% A 70 PHE HBx 1.0 1.8 5.03 1120 853 A 79 LEU HD1% A 70 PHE HBy 1.0 1.8 5.03 1121 854 A 71 THR H A 70 PHE HBx 1.0 1.8 5.57 1122 855 A 73 VAL HG2% A 70 PHE HBx 1.0 1.8 4.22 1123 856 A 70 PHE HBy A 71 THR H 1.0 1.8 5.57 1124 857 A 73 VAL HG2% A 70 PHE HBy 1.0 1.8 4.22 1125 858 A 70 PHE HD% A 71 THR H 1.0 1.8 4.98 1126 859 A 70 PHE HD% A 73 VAL HG2% 1.0 1.8 4.40 1127 860 A 79 LEU HD1% A 70 PHE HD% 1.0 1.8 4.06 1128 861 A 70 PHE HD% A 80 SER H 1.0 1.8 5.43 1129 862 A 70 PHE HD% A 81 PHE HA 1.0 1.8 4.82 1130 863 A 70 PHE HD% A 81 PHE HBx 1.0 1.8 4.82 1131 864 A 70 PHE HD% A 81 PHE HBy 1.0 1.8 4.82 1132 865 A 70 PHE HE% A 73 VAL HG2% 1.0 1.8 6.05 1133 866 A 79 LEU HD1% A 70 PHE HE% 1.0 1.8 4.36 1134 867 A 79 LEU HD2% A 70 PHE HE% 1.0 1.8 4.19 1135 868 A 70 PHE HE% A 81 PHE HBx 1.0 1.8 5.18 1136 868 A 70 PHE HE% A 81 PHE HBy 1.0 1.8 5.18 1137 869 A 70 PHE H A 70 PHE HBx 1.0 1.8 4.23 1138 870 A 70 PHE HBy A 70 PHE H 1.0 1.8 4.23 1139 871 A 70 PHE HD% A 70 PHE H 1.0 1.8 3.98 1140 872 A 73 VAL HG2% A 70 PHE H 1.0 1.8 6.05 1141 873 A 71 THR HA A 71 THR HG2% 1.0 1.8 3.23 1142 874 A 72 ARG H A 71 THR HB 1.0 1.8 5.57 1143 875 A 72 ARG H A 71 THR HG2% 1.0 1.8 4.66 1144 876 A 81 PHE HA A 71 THR HG2% 1.0 1.8 4.05 1145 877 A 82 VAL HB A 71 THR HG2% 1.0 1.8 3.81 1146 878 A 82 VAL H A 71 THR HG2% 1.0 1.8 4.20 1147 879 A 71 THR H A 71 THR HG2% 1.0 1.8 4.25 1148 880 A 72 ARG H A 71 THR H 1.0 1.8 3.29 1149 881 A 71 THR H A 80 SER H 1.0 1.8 5.74 1150 882 A 81 PHE HA A 71 THR H 1.0 1.8 3.96 1151 883 A 71 THR H A 81 PHE HBx 1.0 1.8 5.30 1152 884 A 81 PHE HBy A 71 THR H 1.0 1.8 5.30 1153 885 A 71 THR H A 81 PHE H 1.0 1.8 5.05 1154 886 A 71 THR H A 82 VAL HG2% 1.0 1.8 4.85 1155 887 A 82 VAL H A 71 THR H 1.0 1.8 5.07 1156 888 A 72 ARG HA A 72 ARG HGy 1.0 1.8 3.96 1157 888 A 72 ARG HA A 72 ARG HGx 1.0 1.8 3.96 1158 889 A 73 VAL HG2% A 72 ARG HA 1.0 1.8 5.14 1159 890 A 73 VAL H A 72 ARG HA 1.0 1.8 3.07 1160 891 A 73 VAL H A 72 ARG HBx 1.0 1.8 4.96 1161 892 A 72 ARG HBx A 80 SER HBy 1.0 1.8 4.25 1162 892 A 72 ARG HBx A 80 SER HBx 1.0 1.8 4.25 1163 893 A 80 SER H A 72 ARG HBx 1.0 1.8 5.47 1164 894 A 73 VAL H A 72 ARG HBy 1.0 1.8 4.96 1165 895 A 72 ARG HBy A 80 SER HBy 1.0 1.8 4.25 1166 895 A 80 SER HBx A 72 ARG HBy 1.0 1.8 4.25 1167 896 A 80 SER H A 72 ARG HBy 1.0 1.8 5.47 1168 897 A 73 VAL H A 72 ARG HDy 1.0 1.8 5.67 1169 897 A 73 VAL H A 72 ARG HDx 1.0 1.8 5.67 1170 898 A 73 VAL H A 72 ARG HGy 1.0 1.8 4.27 1171 898 A 73 VAL H A 72 ARG HGx 1.0 1.8 4.27 1172 899 A 73 VAL HG2% A 72 ARG H 1.0 1.8 4.46 1173 900 A 72 ARG H A 73 VAL H 1.0 1.8 4.81 1174 901 A 72 ARG H A 79 LEU HA 1.0 1.8 6.05 1175 902 A 72 ARG H A 80 SER HBy 1.0 1.8 4.26 1176 902 A 72 ARG H A 80 SER HBx 1.0 1.8 4.26 1177 903 A 72 ARG H A 80 SER H 1.0 1.8 4.22 1178 904 A 72 ARG H A 81 PHE HA 1.0 1.8 4.88 1179 905 A 73 VAL HA A 73 VAL HG1% 1.0 1.8 3.34 1180 906 A 73 VAL HA A 73 VAL HG2% 1.0 1.8 3.53 1181 907 A 73 VAL HA A 74 GLU H 1.0 1.8 3.15 1182 908 A 73 VAL HA A 79 LEU HA 1.0 1.8 4.16 1183 909 A 73 VAL HA A 79 LEU HD1% 1.0 1.8 4.18 1184 910 A 73 VAL HA A 80 SER H 1.0 1.8 4.92 1185 911 A 73 VAL HG1% A 74 GLU HA 1.0 1.8 4.77 1186 912 A 73 VAL HG1% A 74 GLU H 1.0 1.8 3.93 1187 913 A 75 ALA HB% A 73 VAL HG1% 1.0 1.8 4.30 1188 914 A 73 VAL HG1% A 75 ALA H 1.0 1.8 3.88 1189 915 A 73 VAL HG1% A 79 LEU HBy 1.0 1.8 4.99 1190 915 A 73 VAL HG1% A 79 LEU HBx 1.0 1.8 4.99 1191 916 A 73 VAL HG2% A 74 GLU H 1.0 1.8 4.81 1192 917 A 73 VAL HG2% A 79 LEU HA 1.0 1.8 5.06 1193 918 A 79 LEU HD1% A 73 VAL HG2% 1.0 1.8 3.69 1194 919 A 73 VAL HG2% A 80 SER H 1.0 1.8 4.91 1195 920 A 73 VAL H A 73 VAL HB 1.0 1.8 3.78 1196 921 A 73 VAL HG2% A 73 VAL H 1.0 1.8 3.99 1197 922 A 73 VAL H A 74 GLU H 1.0 1.8 4.70 1198 923 A 74 GLU HA A 74 GLU HGy 1.0 1.8 3.63 1199 923 A 74 GLU HA A 74 GLU HGx 1.0 1.8 3.63 1200 924 A 75 ALA HB% A 74 GLU HA 1.0 1.8 5.02 1201 925 A 75 ALA H A 74 GLU HA 1.0 1.8 3.19 1202 926 A 78 ARG H A 74 GLU HBy 1.0 1.8 5.10 1203 926 A 74 GLU HBx A 78 ARG H 1.0 1.8 5.10 1204 927 A 75 ALA H A 74 GLU HGy 1.0 1.8 5.54 1205 927 A 75 ALA H A 74 GLU HGx 1.0 1.8 5.54 1206 928 A 74 GLU H A 74 GLU HBy 1.0 1.8 3.52 1207 928 A 74 GLU H A 74 GLU HBx 1.0 1.8 3.52 1208 929 A 74 GLU H A 74 GLU HGy 1.0 1.8 5.24 1209 929 A 74 GLU H A 74 GLU HGx 1.0 1.8 5.24 1210 930 A 75 ALA HB% A 74 GLU H 1.0 1.8 4.82 1211 931 A 75 ALA H A 74 GLU H 1.0 1.8 4.35 1212 932 A 74 GLU H A 78 ARG H 1.0 1.8 4.68 1213 933 A 79 LEU HA A 74 GLU H 1.0 1.8 4.59 1214 934 A 79 LEU HD1% A 74 GLU H 1.0 1.8 4.77 1215 935 A 74 GLU H A 79 LEU H 1.0 1.8 5.57 1216 936 A 75 ALA HA A 76 PRO HA 1.0 1.8 3.55 1217 937 A 75 ALA HA A 76 PRO HBy 1.0 1.8 5.20 1218 937 A 76 PRO HBx A 75 ALA HA 1.0 1.8 5.20 1219 938 A 75 ALA HA A 77 THR H 1.0 1.8 3.88 1220 939 A 78 ARG H A 75 ALA HA 1.0 1.8 4.39 1221 940 A 75 ALA HB% A 76 PRO HA 1.0 1.8 3.90 1222 941 A 75 ALA HB% A 76 PRO HDx 1.0 1.8 5.08 1223 941 A 75 ALA HB% A 76 PRO HDy 1.0 1.8 5.08 1224 942 A 75 ALA HB% A 77 THR H 1.0 1.8 4.51 1225 943 A 75 ALA HB% A 75 ALA H 1.0 1.8 2.87 1226 944 A 75 ALA H A 76 PRO HA 1.0 1.8 5.29 1227 945 A 78 ARG H A 76 PRO HA 1.0 1.8 5.97 1228 946 A 77 THR H A 76 PRO HDx 1.0 1.8 4.19 1229 946 A 77 THR H A 76 PRO HDy 1.0 1.8 4.19 1230 947 A 77 THR HA A 77 THR HG2% 1.0 1.8 3.36 1231 948 A 77 THR HA A 93 PHE HBx 1.0 1.8 5.68 1232 949 A 77 THR HA A 93 PHE HBy 1.0 1.8 5.68 1233 950 A 77 THR HA A 93 PHE HD% 1.0 1.8 4.92 1234 951 A 77 THR HA A 93 PHE H 1.0 1.8 4.21 1235 952 A 77 THR HB A 78 ARG H 1.0 1.8 4.54 1236 953 A 77 THR HB A 93 PHE H 1.0 1.8 5.64 1237 954 A 77 THR HG2% A 78 ARG H 1.0 1.8 4.69 1238 955 A 77 THR HG2% A 93 PHE HBx 1.0 1.8 5.63 1239 955 A 93 PHE HBy A 77 THR HG2% 1.0 1.8 5.63 1240 956 A 93 PHE H A 77 THR HG2% 1.0 1.8 5.25 1241 957 A 94 ALA HA A 77 THR HG2% 1.0 1.8 5.48 1242 958 A 95 SER H A 77 THR HG2% 1.0 1.8 5.62 1243 959 A 77 THR HG2% A 77 THR H 1.0 1.8 3.69 1244 960 A 78 ARG H A 77 THR H 1.0 1.8 3.29 1245 961 A 78 ARG HA A 78 ARG HDx 1.0 1.8 4.64 1246 961 A 78 ARG HA A 78 ARG HDy 1.0 1.8 4.64 1247 962 A 78 ARG HA A 78 ARG HGy 1.0 1.8 3.97 1248 962 A 78 ARG HA A 78 ARG HGx 1.0 1.8 3.97 1249 963 A 79 LEU H A 78 ARG HA 1.0 1.8 3.28 1250 964 A 78 ARG HA A 92 GLN HA 1.0 1.8 4.09 1251 965 A 93 PHE HD% A 78 ARG HA 1.0 1.8 4.36 1252 966 A 93 PHE H A 78 ARG HA 1.0 1.8 4.59 1253 967 A 78 ARG HBx A 78 ARG HDx 1.0 1.8 3.36 1254 967 A 78 ARG HBy A 78 ARG HDx 1.0 1.8 3.36 1255 967 A 78 ARG HDy A 78 ARG HBy 1.0 1.8 3.36 1256 967 A 78 ARG HDy A 78 ARG HBx 1.0 1.8 3.36 1257 968 A 78 ARG HE A 78 ARG HBy 1.0 1.8 5.17 1258 968 A 78 ARG HBx A 78 ARG HE 1.0 1.8 5.17 1259 969 A 79 LEU H A 78 ARG HBy 1.0 1.8 4.61 1260 969 A 79 LEU H A 78 ARG HBx 1.0 1.8 4.61 1261 970 A 78 ARG HBx A 78 ARG HDx 1.0 1.8 4.64 1262 971 A 78 ARG HDy A 78 ARG HBx 1.0 1.8 4.64 1263 972 A 78 ARG HBy A 78 ARG HDx 1.0 1.8 4.64 1264 973 A 78 ARG HDy A 78 ARG HBy 1.0 1.8 4.64 1265 974 A 79 LEU H A 78 ARG HDx 1.0 1.8 5.27 1266 974 A 79 LEU H A 78 ARG HDy 1.0 1.8 5.27 1267 975 A 78 ARG HE A 92 GLN HGx 1.0 1.8 5.56 1268 975 A 78 ARG HE A 92 GLN HGy 1.0 1.8 5.56 1269 976 A 79 LEU H A 78 ARG HGy 1.0 1.8 3.99 1270 976 A 79 LEU H A 78 ARG HGx 1.0 1.8 3.99 1271 977 A 92 GLN HA A 78 ARG HGy 1.0 1.8 4.70 1272 977 A 78 ARG HGx A 92 GLN HA 1.0 1.8 4.70 1273 978 A 78 ARG HGy A 92 GLN HGx 1.0 1.8 4.64 1274 978 A 78 ARG HGx A 92 GLN HGx 1.0 1.8 4.64 1275 978 A 92 GLN HGy A 78 ARG HGy 1.0 1.8 4.64 1276 978 A 78 ARG HGx A 92 GLN HGy 1.0 1.8 4.64 1277 979 A 92 GLN H A 78 ARG HGy 1.0 1.8 5.87 1278 979 A 78 ARG HGx A 92 GLN H 1.0 1.8 5.87 1279 980 A 78 ARG H A 78 ARG HBy 1.0 1.8 3.64 1280 980 A 78 ARG H A 78 ARG HBx 1.0 1.8 3.64 1281 981 A 78 ARG H A 78 ARG HGy 1.0 1.8 5.87 1282 981 A 78 ARG H A 78 ARG HGx 1.0 1.8 5.87 1283 982 A 78 ARG H A 79 LEU H 1.0 1.8 5.12 1284 983 A 93 PHE HD% A 78 ARG H 1.0 1.8 5.74 1285 984 A 93 PHE H A 78 ARG H 1.0 1.8 5.78 1286 985 A 79 LEU HD1% A 79 LEU HA 1.0 1.8 3.83 1287 986 A 79 LEU HD2% A 79 LEU HA 1.0 1.8 5.31 1288 987 A 80 SER H A 79 LEU HA 1.0 1.8 3.22 1289 988 A 79 LEU HD1% A 79 LEU HBx 1.0 1.8 4.19 1290 989 A 79 LEU HD2% A 79 LEU HBx 1.0 1.8 4.13 1291 990 A 79 LEU HBx A 80 SER H 1.0 1.8 5.02 1292 991 A 79 LEU HD1% A 79 LEU HBy 1.0 1.8 4.19 1293 992 A 79 LEU HD2% A 79 LEU HBy 1.0 1.8 4.13 1294 993 A 80 SER H A 79 LEU HBy 1.0 1.8 5.02 1295 994 A 79 LEU HD1% A 80 SER H 1.0 1.8 4.13 1296 995 A 79 LEU HBx A 79 LEU H 1.0 1.8 4.19 1297 996 A 79 LEU H A 79 LEU HBy 1.0 1.8 4.19 1298 997 A 79 LEU H A 91 VAL HB 1.0 1.8 6.05 1299 998 A 79 LEU H A 91 VAL H 1.0 1.8 4.47 1300 999 A 79 LEU H A 92 GLN HA 1.0 1.8 4.85 1301 1000 A 81 PHE H A 80 SER HA 1.0 1.8 3.30 1302 1001 A 80 SER HA A 90 ASP HA 1.0 1.8 4.00 1303 1002 A 91 VAL H A 80 SER HA 1.0 1.8 4.52 1304 1003 A 81 PHE H A 80 SER HBy 1.0 1.8 3.88 1305 1003 A 81 PHE H A 80 SER HBx 1.0 1.8 3.88 1306 1004 A 80 SER H A 91 VAL H 1.0 1.8 6.05 1307 1005 A 81 PHE HA A 82 VAL HG2% 1.0 1.8 4.83 1308 1006 A 82 VAL H A 81 PHE HA 1.0 1.8 3.45 1309 1007 A 82 VAL H A 81 PHE HBx 1.0 1.8 4.93 1310 1008 A 82 VAL H A 81 PHE HBy 1.0 1.8 4.93 1311 1009 A 81 PHE HD% A 82 VAL H 1.0 1.8 4.54 1312 1010 A 81 PHE HD% A 89 VAL HG1% 1.0 1.8 4.31 1313 1011 A 81 PHE HD% A 89 VAL HG2% 1.0 1.8 4.37 1314 1012 A 81 PHE HE% A 83 MET HBx 1.0 1.8 5.57 1315 1012 A 81 PHE HE% A 83 MET HBy 1.0 1.8 5.57 1316 1013 A 89 VAL HG1% A 81 PHE HE% 1.0 1.8 4.42 1317 1014 A 91 VAL HG2% A 81 PHE HE% 1.0 1.8 4.50 1318 1015 A 81 PHE HD% A 81 PHE H 1.0 1.8 4.44 1319 1016 A 81 PHE H A 82 VAL HG2% 1.0 1.8 5.12 1320 1017 A 81 PHE H A 88 GLU HA 1.0 1.8 6.05 1321 1018 A 81 PHE H A 89 VAL HB 1.0 1.8 4.39 1322 1019 A 81 PHE H A 89 VAL HG1% 1.0 1.8 5.04 1323 1020 A 81 PHE H A 89 VAL HG2% 1.0 1.8 6.05 1324 1021 A 81 PHE H A 89 VAL H 1.0 1.8 4.13 1325 1022 A 81 PHE H A 90 ASP HA 1.0 1.8 4.46 1326 1023 A 91 VAL HG2% A 81 PHE H 1.0 1.8 6.05 1327 1024 A 82 VAL HG1% A 82 VAL HA 1.0 1.8 3.92 1328 1025 A 82 VAL HG2% A 82 VAL HA 1.0 1.8 3.69 1329 1026 A 82 VAL HA A 83 MET H 1.0 1.8 3.48 1330 1027 A 88 GLU HA A 82 VAL HA 1.0 1.8 3.79 1331 1028 A 89 VAL H A 82 VAL HA 1.0 1.8 4.18 1332 1029 A 82 VAL HB A 83 MET H 1.0 1.8 4.77 1333 1030 A 82 VAL HG1% A 83 MET H 1.0 1.8 3.99 1334 1031 A 82 VAL HG1% A 86 GLY HAy 1.0 1.8 3.67 1335 1031 A 82 VAL HG1% A 86 GLY HAx 1.0 1.8 3.67 1336 1032 A 82 VAL HG1% A 86 GLY H 1.0 1.8 4.11 1337 1033 A 82 VAL HG1% A 87 ARG HA 1.0 1.8 5.38 1338 1034 A 82 VAL HG1% A 87 ARG H 1.0 1.8 4.68 1339 1035 A 82 VAL HG1% A 88 GLU HA 1.0 1.8 4.74 1340 1036 A 82 VAL HG1% A 88 GLU HGy 1.0 1.8 4.36 1341 1036 A 82 VAL HG1% A 88 GLU HGx 1.0 1.8 4.36 1342 1037 A 82 VAL HG2% A 83 MET H 1.0 1.8 5.14 1343 1038 A 82 VAL HG2% A 88 GLU HA 1.0 1.8 4.63 1344 1039 A 82 VAL HG2% A 88 GLU HGy 1.0 1.8 3.87 1345 1039 A 82 VAL HG2% A 88 GLU HGx 1.0 1.8 3.87 1346 1040 A 82 VAL HG2% A 89 VAL H 1.0 1.8 4.59 1347 1041 A 82 VAL HB A 82 VAL H 1.0 1.8 3.86 1348 1042 A 82 VAL H A 82 VAL HG1% 1.0 1.8 4.29 1349 1043 A 82 VAL H A 82 VAL HG2% 1.0 1.8 3.30 1350 1044 A 82 VAL H A 83 MET H 1.0 1.8 5.63 1351 1045 A 83 MET HA A 83 MET HGy 1.0 1.8 4.00 1352 1045 A 83 MET HA A 83 MET HGx 1.0 1.8 4.00 1353 1046 A 84 ASP H A 83 MET HA 1.0 1.8 3.89 1354 1047 A 83 MET HA A 85 ASP H 1.0 1.8 4.84 1355 1048 A 84 ASP H A 83 MET HBx 1.0 1.8 5.94 1356 1049 A 84 ASP H A 83 MET HBy 1.0 1.8 5.94 1357 1050 A 83 MET HE% A 121 TRP HZ2 1.0 1.8 3.73 1358 1051 A 89 VAL HG2% A 83 MET HE% 1.0 1.8 4.44 1359 1052 A 83 MET HE% A 83 MET HGy 1.0 1.8 4.03 1360 1052 A 83 MET HGx A 83 MET HE% 1.0 1.8 4.03 1361 1053 A 83 MET H A 83 MET HGy 1.0 1.8 4.04 1362 1053 A 83 MET H A 83 MET HGx 1.0 1.8 4.04 1363 1054 A 84 ASP H A 83 MET H 1.0 1.8 5.54 1364 1055 A 83 MET H A 87 ARG H 1.0 1.8 5.03 1365 1056 A 89 VAL HG2% A 83 MET H 1.0 1.8 5.06 1366 1057 A 86 GLY H A 84 ASP HA 1.0 1.8 4.52 1367 1058 A 85 ASP H A 84 ASP HBy 1.0 1.8 3.87 1368 1058 A 85 ASP H A 84 ASP HBx 1.0 1.8 3.87 1369 1059 A 84 ASP H A 84 ASP HBy 1.0 1.8 3.45 1370 1059 A 84 ASP H A 84 ASP HBx 1.0 1.8 3.45 1371 1060 A 84 ASP H A 85 ASP H 1.0 1.8 3.92 1372 1061 A 87 ARG H A 85 ASP HBx 1.0 1.8 4.46 1373 1061 A 87 ARG H A 85 ASP HBy 1.0 1.8 4.46 1374 1062 A 86 GLY H A 85 ASP HBx 1.0 1.8 5.50 1375 1063 A 86 GLY H A 85 ASP HBy 1.0 1.8 5.50 1376 1064 A 85 ASP H A 85 ASP HBx 1.0 1.8 3.52 1377 1064 A 85 ASP H A 85 ASP HBy 1.0 1.8 3.52 1378 1065 A 85 ASP H A 86 GLY HAy 1.0 1.8 5.43 1379 1065 A 86 GLY HAx A 85 ASP H 1.0 1.8 5.43 1380 1066 A 86 GLY H A 85 ASP H 1.0 1.8 3.44 1381 1067 A 86 GLY H A 87 ARG H 1.0 1.8 3.62 1382 1068 A 87 ARG HA A 107 ASP HBy 1.0 1.8 4.64 1383 1068 A 87 ARG HA A 107 ASP HBx 1.0 1.8 4.64 1384 1069 A 87 ARG HA A 107 ASP H 1.0 1.8 5.40 1385 1070 A 87 ARG HA A 87 ARG HGx 1.0 1.8 4.33 1386 1071 A 87 ARG HA A 87 ARG HGy 1.0 1.8 4.33 1387 1072 A 87 ARG HA A 88 GLU H 1.0 1.8 3.36 1388 1073 A 107 ASP H A 87 ARG HBy 1.0 1.8 4.75 1389 1073 A 107 ASP H A 87 ARG HBx 1.0 1.8 4.75 1390 1074 A 87 ARG HE A 87 ARG HBy 1.0 1.8 5.42 1391 1074 A 87 ARG HBx A 87 ARG HE 1.0 1.8 5.42 1392 1075 A 88 GLU H A 87 ARG HBy 1.0 1.8 4.57 1393 1075 A 88 GLU H A 87 ARG HBx 1.0 1.8 4.57 1394 1076 A 88 GLU H A 87 ARG HGy 1.0 1.8 5.44 1395 1076 A 88 GLU H A 87 ARG HGx 1.0 1.8 5.44 1396 1077 A 87 ARG H A 87 ARG HBy 1.0 1.8 3.49 1397 1077 A 87 ARG H A 87 ARG HBx 1.0 1.8 3.49 1398 1078 A 87 ARG H A 87 ARG HDy 1.0 1.8 4.95 1399 1078 A 87 ARG H A 87 ARG HDx 1.0 1.8 4.95 1400 1079 A 87 ARG H A 87 ARG HE 1.0 1.8 4.99 1401 1080 A 87 ARG H A 87 ARG HGy 1.0 1.8 3.70 1402 1080 A 87 ARG H A 87 ARG HGx 1.0 1.8 3.70 1403 1081 A 87 ARG H A 88 GLU H 1.0 1.8 5.09 1404 1082 A 88 GLU HA A 89 VAL H 1.0 1.8 3.12 1405 1083 A 89 VAL H A 88 GLU HBy 1.0 1.8 3.86 1406 1083 A 89 VAL H A 88 GLU HBx 1.0 1.8 3.86 1407 1084 A 89 VAL H A 88 GLU HGy 1.0 1.8 4.69 1408 1084 A 89 VAL H A 88 GLU HGx 1.0 1.8 4.69 1409 1085 A 88 GLU H A 107 ASP HBy 1.0 1.8 3.93 1410 1085 A 107 ASP HBx A 88 GLU H 1.0 1.8 3.93 1411 1086 A 107 ASP H A 88 GLU H 1.0 1.8 4.65 1412 1087 A 88 GLU H A 88 GLU HBy 1.0 1.8 3.44 1413 1087 A 88 GLU H A 88 GLU HBx 1.0 1.8 3.44 1414 1088 A 88 GLU H A 88 GLU HGy 1.0 1.8 4.03 1415 1088 A 88 GLU HGx A 88 GLU H 1.0 1.8 4.03 1416 1089 A 89 VAL HA A 106 PHE HA 1.0 1.8 3.97 1417 1090 A 89 VAL HA A 106 PHE HBx 1.0 1.8 4.83 1418 1090 A 89 VAL HA A 106 PHE HBy 1.0 1.8 4.83 1419 1091 A 107 ASP H A 89 VAL HA 1.0 1.8 4.54 1420 1092 A 89 VAL HG1% A 89 VAL HA 1.0 1.8 3.75 1421 1093 A 89 VAL HG2% A 89 VAL HA 1.0 1.8 3.96 1422 1094 A 89 VAL HA A 90 ASP H 1.0 1.8 3.19 1423 1095 A 89 VAL HB A 90 ASP H 1.0 1.8 5.07 1424 1096 A 89 VAL HG1% A 104 GLU HGx 1.0 1.8 3.92 1425 1096 A 89 VAL HG1% A 104 GLU HGy 1.0 1.8 3.92 1426 1097 A 89 VAL HG1% A 105 THR H 1.0 1.8 4.84 1427 1098 A 89 VAL HG1% A 106 PHE HBx 1.0 1.8 4.02 1428 1098 A 89 VAL HG1% A 106 PHE HBy 1.0 1.8 4.02 1429 1099 A 89 VAL HG1% A 107 ASP H 1.0 1.8 5.78 1430 1100 A 89 VAL HG1% A 90 ASP H 1.0 1.8 3.55 1431 1101 A 91 VAL HG1% A 89 VAL HG1% 1.0 1.8 5.28 1432 1102 A 89 VAL HG2% A 106 PHE HA 1.0 1.8 4.49 1433 1103 A 89 VAL HG2% A 106 PHE HBx 1.0 1.8 3.69 1434 1103 A 89 VAL HG2% A 106 PHE HBy 1.0 1.8 3.69 1435 1104 A 106 PHE HD% A 89 VAL HG2% 1.0 1.8 5.04 1436 1105 A 89 VAL HG2% A 107 ASP H 1.0 1.8 4.36 1437 1106 A 89 VAL HG2% A 90 ASP H 1.0 1.8 4.87 1438 1107 A 89 VAL H A 106 PHE HBx 1.0 1.8 6.05 1439 1107 A 89 VAL H A 106 PHE HBy 1.0 1.8 6.05 1440 1108 A 89 VAL HB A 89 VAL H 1.0 1.8 3.76 1441 1109 A 89 VAL HG1% A 89 VAL H 1.0 1.8 4.52 1442 1110 A 89 VAL HG2% A 89 VAL H 1.0 1.8 3.83 1443 1111 A 91 VAL HG2% A 90 ASP HA 1.0 1.8 4.83 1444 1112 A 91 VAL H A 90 ASP HA 1.0 1.8 3.39 1445 1113 A 105 THR HG2% A 90 ASP HBx 1.0 1.8 4.58 1446 1113 A 105 THR HG2% A 90 ASP HBy 1.0 1.8 4.58 1447 1114 A 105 THR H A 90 ASP HBx 1.0 1.8 5.79 1448 1114 A 105 THR H A 90 ASP HBy 1.0 1.8 5.79 1449 1115 A 105 THR HB A 90 ASP HBx 1.0 1.8 4.55 1450 1116 A 90 ASP HBy A 105 THR HB 1.0 1.8 4.55 1451 1117 A 90 ASP H A 105 THR HB 1.0 1.8 4.64 1452 1118 A 90 ASP H A 105 THR H 1.0 1.8 4.08 1453 1119 A 106 PHE HA A 90 ASP H 1.0 1.8 4.48 1454 1120 A 90 ASP H A 90 ASP HBx 1.0 1.8 3.61 1455 1120 A 90 ASP H A 90 ASP HBy 1.0 1.8 3.61 1456 1121 A 91 VAL HG2% A 90 ASP H 1.0 1.8 5.15 1457 1122 A 91 VAL H A 90 ASP H 1.0 1.8 5.27 1458 1123 A 91 VAL HA A 104 GLU HA 1.0 1.8 3.84 1459 1124 A 91 VAL HA A 104 GLU HGx 1.0 1.8 4.71 1460 1124 A 104 GLU HGy A 91 VAL HA 1.0 1.8 4.71 1461 1125 A 105 THR H A 91 VAL HA 1.0 1.8 4.42 1462 1126 A 91 VAL HG1% A 91 VAL HA 1.0 1.8 3.71 1463 1127 A 91 VAL HG2% A 91 VAL HA 1.0 1.8 3.76 1464 1128 A 92 GLN H A 91 VAL HA 1.0 1.8 3.06 1465 1129 A 92 GLN H A 91 VAL HB 1.0 1.8 4.77 1466 1130 A 102 VAL HG1% A 91 VAL HG1% 1.0 1.8 3.62 1467 1131 A 91 VAL HG1% A 103 GLN H 1.0 1.8 4.60 1468 1132 A 91 VAL HG1% A 104 GLU HA 1.0 1.8 4.63 1469 1133 A 91 VAL HG1% A 104 GLU HBx 1.0 1.8 4.77 1470 1133 A 104 GLU HBy A 91 VAL HG1% 1.0 1.8 4.77 1471 1134 A 91 VAL HG1% A 104 GLU HGx 1.0 1.8 4.41 1472 1134 A 91 VAL HG1% A 104 GLU HGy 1.0 1.8 4.41 1473 1135 A 91 VAL HG1% A 92 GLN H 1.0 1.8 3.64 1474 1136 A 93 PHE HE% A 91 VAL HG1% 1.0 1.8 4.58 1475 1137 A 91 VAL HG1% A 93 PHE HZ 1.0 1.8 4.33 1476 1138 A 91 VAL HG2% A 104 GLU HA 1.0 1.8 4.43 1477 1139 A 91 VAL HG2% A 104 GLU HGx 1.0 1.8 4.65 1478 1139 A 91 VAL HG2% A 104 GLU HGy 1.0 1.8 4.65 1479 1140 A 91 VAL HG2% A 92 GLN H 1.0 1.8 4.86 1480 1141 A 93 PHE HE% A 91 VAL HG2% 1.0 1.8 5.68 1481 1142 A 91 VAL HB A 91 VAL H 1.0 1.8 4.03 1482 1143 A 91 VAL HG1% A 91 VAL H 1.0 1.8 4.84 1483 1144 A 91 VAL HG2% A 91 VAL H 1.0 1.8 3.89 1484 1145 A 92 GLN HA A 92 GLN HGx 1.0 1.8 3.88 1485 1145 A 92 GLN HA A 92 GLN HGy 1.0 1.8 3.88 1486 1146 A 93 PHE H A 92 GLN HA 1.0 1.8 3.10 1487 1147 A 92 GLN HBy A 92 GLN HE22 1.0 1.8 5.15 1488 1147 A 92 GLN HE21 A 92 GLN HBy 1.0 1.8 5.15 1489 1147 A 92 GLN HBx A 92 GLN HE21 1.0 1.8 5.15 1490 1147 A 92 GLN HBx A 92 GLN HE22 1.0 1.8 5.15 1491 1148 A 93 PHE H A 92 GLN HBy 1.0 1.8 4.05 1492 1148 A 93 PHE H A 92 GLN HBx 1.0 1.8 4.05 1493 1149 A 92 GLN HE22 A 92 GLN HGx 1.0 1.8 3.37 1494 1149 A 92 GLN HE21 A 92 GLN HGx 1.0 1.8 3.37 1495 1149 A 92 GLN HGy A 92 GLN HE22 1.0 1.8 3.37 1496 1149 A 92 GLN HGy A 92 GLN HE21 1.0 1.8 3.37 1497 1150 A 93 PHE H A 92 GLN HGx 1.0 1.8 4.68 1498 1150 A 93 PHE H A 92 GLN HGy 1.0 1.8 4.68 1499 1151 A 102 VAL HG1% A 92 GLN H 1.0 1.8 5.44 1500 1152 A 92 GLN H A 103 GLN H 1.0 1.8 4.04 1501 1153 A 92 GLN H A 104 GLU HA 1.0 1.8 4.23 1502 1154 A 92 GLN H A 92 GLN HBy 1.0 1.8 3.58 1503 1154 A 92 GLN H A 92 GLN HBx 1.0 1.8 3.58 1504 1155 A 92 GLN H A 92 GLN HGx 1.0 1.8 5.21 1505 1156 A 92 GLN HGy A 92 GLN H 1.0 1.8 5.21 1506 1157 A 93 PHE HD% A 92 GLN H 1.0 1.8 6.05 1507 1158 A 93 PHE H A 92 GLN H 1.0 1.8 6.05 1508 1159 A 100 THR HG2% A 93 PHE HA 1.0 1.8 4.60 1509 1160 A 93 PHE HA A 102 VAL HA 1.0 1.8 3.64 1510 1161 A 102 VAL HG2% A 93 PHE HA 1.0 1.8 4.64 1511 1162 A 93 PHE HA A 103 GLN H 1.0 1.8 4.51 1512 1163 A 93 PHE HA A 93 PHE HD% 1.0 1.8 4.37 1513 1164 A 93 PHE HA A 94 ALA HB% 1.0 1.8 4.46 1514 1165 A 93 PHE HA A 94 ALA H 1.0 1.8 3.01 1515 1166 A 100 THR HG2% A 93 PHE HBx 1.0 1.8 4.81 1516 1167 A 94 ALA H A 93 PHE HBx 1.0 1.8 4.75 1517 1168 A 100 THR HG2% A 93 PHE HBy 1.0 1.8 4.81 1518 1169 A 94 ALA H A 93 PHE HBy 1.0 1.8 4.75 1519 1170 A 100 THR HG2% A 93 PHE HD% 1.0 1.8 3.77 1520 1171 A 93 PHE HD% A 102 VAL HA 1.0 1.8 4.86 1521 1172 A 102 VAL HG1% A 93 PHE HD% 1.0 1.8 4.57 1522 1173 A 102 VAL HG2% A 93 PHE HD% 1.0 1.8 3.52 1523 1174 A 102 VAL HG1% A 93 PHE HE% 1.0 1.8 4.75 1524 1175 A 102 VAL HG2% A 93 PHE HE% 1.0 1.8 4.51 1525 1176 A 100 THR HG2% A 93 PHE H 1.0 1.8 6.05 1526 1177 A 93 PHE H A 93 PHE HD% 1.0 1.8 3.85 1527 1178 A 93 PHE HE% A 93 PHE H 1.0 1.8 5.42 1528 1179 A 94 ALA HA A 101 TRP HBx 1.0 1.8 4.99 1529 1179 A 94 ALA HA A 101 TRP HBy 1.0 1.8 4.99 1530 1180 A 94 ALA HA A 95 SER H 1.0 1.8 2.85 1531 1181 A 101 TRP HA A 94 ALA HB% 1.0 1.8 5.94 1532 1182 A 94 ALA HB% A 101 TRP HBx 1.0 1.8 4.15 1533 1183 A 94 ALA HB% A 101 TRP HBy 1.0 1.8 4.15 1534 1184 A 101 TRP HD1 A 94 ALA HB% 1.0 1.8 6.05 1535 1185 A 94 ALA HB% A 101 TRP HE3 1.0 1.8 3.75 1536 1186 A 94 ALA HB% A 101 TRP H 1.0 1.8 4.25 1537 1187 A 94 ALA HB% A 95 SER H 1.0 1.8 3.83 1538 1188 A 94 ALA H A 100 THR HA 1.0 1.8 5.46 1539 1189 A 100 THR HG2% A 94 ALA H 1.0 1.8 3.52 1540 1190 A 94 ALA H A 101 TRP HBx 1.0 1.8 5.30 1541 1191 A 94 ALA H A 101 TRP HBy 1.0 1.8 5.30 1542 1192 A 94 ALA H A 101 TRP H 1.0 1.8 3.82 1543 1193 A 94 ALA H A 102 VAL HA 1.0 1.8 4.77 1544 1194 A 94 ALA HB% A 94 ALA H 1.0 1.8 3.31 1545 1195 A 95 SER HA A 100 THR HA 1.0 1.8 4.05 1546 1196 A 95 SER HA A 101 TRP H 1.0 1.8 4.65 1547 1197 A 95 SER HA A 96 GLU H 1.0 1.8 3.07 1548 1198 A 96 GLU H A 95 SER HBy 1.0 1.8 4.17 1549 1198 A 95 SER HBx A 96 GLU H 1.0 1.8 4.17 1550 1199 A 100 THR HG2% A 95 SER H 1.0 1.8 5.21 1551 1200 A 95 SER H A 95 SER HBy 1.0 1.8 3.16 1552 1200 A 95 SER HBx A 95 SER H 1.0 1.8 3.16 1553 1201 A 96 GLU HA A 97 PRO HDx 1.0 1.8 3.42 1554 1201 A 96 GLU HA A 97 PRO HDy 1.0 1.8 3.42 1555 1202 A 101 TRP H A 96 GLU HBx 1.0 1.8 5.87 1556 1202 A 101 TRP H A 96 GLU HBy 1.0 1.8 5.87 1557 1203 A 96 GLU HBy A 97 PRO HDx 1.0 1.8 3.55 1558 1203 A 96 GLU HBx A 97 PRO HDx 1.0 1.8 3.55 1559 1203 A 97 PRO HDy A 96 GLU HBx 1.0 1.8 3.55 1560 1203 A 97 PRO HDy A 96 GLU HBy 1.0 1.8 3.55 1561 1204 A 96 GLU HBx A 97 PRO HDx 1.0 1.8 5.16 1562 1205 A 97 PRO HDy A 96 GLU HBx 1.0 1.8 5.16 1563 1206 A 96 GLU HBy A 97 PRO HDx 1.0 1.8 5.16 1564 1207 A 97 PRO HDy A 96 GLU HBy 1.0 1.8 5.16 1565 1208 A 101 TRP H A 96 GLU HGx 1.0 1.8 5.69 1566 1208 A 101 TRP H A 96 GLU HGy 1.0 1.8 5.69 1567 1209 A 96 GLU HGy A 97 PRO HDx 1.0 1.8 4.94 1568 1209 A 96 GLU HGx A 97 PRO HDx 1.0 1.8 4.94 1569 1209 A 97 PRO HDy A 96 GLU HGx 1.0 1.8 4.94 1570 1209 A 97 PRO HDy A 96 GLU HGy 1.0 1.8 4.94 1571 1210 A 100 THR HA A 96 GLU HGx 1.0 1.8 5.21 1572 1211 A 98 GLY H A 96 GLU HGx 1.0 1.8 6.05 1573 1211 A 96 GLU HGy A 98 GLY H 1.0 1.8 6.05 1574 1212 A 99 GLY H A 96 GLU HGx 1.0 1.8 4.74 1575 1212 A 96 GLU HGy A 99 GLY H 1.0 1.8 4.74 1576 1213 A 100 THR HA A 96 GLU HGy 1.0 1.8 5.21 1577 1214 A 100 THR HA A 96 GLU H 1.0 1.8 3.97 1578 1215 A 100 THR HG2% A 96 GLU H 1.0 1.8 5.21 1579 1216 A 101 TRP H A 96 GLU H 1.0 1.8 4.79 1580 1217 A 96 GLU H A 96 GLU HGx 1.0 1.8 4.13 1581 1218 A 96 GLU H A 96 GLU HGy 1.0 1.8 4.13 1582 1219 A 96 GLU H A 99 GLY H 1.0 1.8 4.64 1583 1220 A 98 GLY H A 97 PRO HA 1.0 1.8 3.52 1584 1221 A 99 GLY H A 97 PRO HA 1.0 1.8 4.30 1585 1222 A 98 GLY H A 99 GLY H 1.0 1.8 3.62 1586 1223 A 100 THR H A 99 GLY HAx 1.0 1.8 3.34 1587 1223 A 100 THR H A 99 GLY HAy 1.0 1.8 3.34 1588 1224 A 100 THR H A 99 GLY H 1.0 1.8 4.87 1589 1225 A 100 THR HG2% A 100 THR HA 1.0 1.8 3.67 1590 1226 A 101 TRP H A 100 THR HA 1.0 1.8 3.15 1591 1227 A 100 THR HB A 101 TRP H 1.0 1.8 5.09 1592 1228 A 100 THR HG2% A 101 TRP H 1.0 1.8 3.63 1593 1229 A 102 VAL HG2% A 100 THR HG2% 1.0 1.8 4.09 1594 1230 A 102 VAL H A 100 THR HG2% 1.0 1.8 5.25 1595 1231 A 100 THR HB A 100 THR H 1.0 1.8 3.95 1596 1232 A 100 THR H A 100 THR HG2% 1.0 1.8 4.64 1597 1233 A 101 TRP HD1 A 101 TRP HA 1.0 1.8 3.71 1598 1234 A 102 VAL HB A 101 TRP HA 1.0 1.8 6.05 1599 1235 A 102 VAL HG2% A 101 TRP HA 1.0 1.8 5.18 1600 1236 A 102 VAL H A 101 TRP HA 1.0 1.8 3.25 1601 1237 A 101 TRP HZ3 A 101 TRP HBx 1.0 1.8 5.59 1602 1237 A 101 TRP HBy A 101 TRP HZ3 1.0 1.8 5.59 1603 1238 A 101 TRP HE3 A 101 TRP HBx 1.0 1.8 4.44 1604 1239 A 102 VAL H A 101 TRP HBx 1.0 1.8 5.24 1605 1240 A 101 TRP HBy A 101 TRP HE3 1.0 1.8 4.44 1606 1241 A 102 VAL H A 101 TRP HBy 1.0 1.8 5.24 1607 1242 A 102 VAL HB A 101 TRP HD1 1.0 1.8 6.05 1608 1243 A 101 TRP HD1 A 102 VAL H 1.0 1.8 3.73 1609 1244 A 101 TRP HE1 A 102 VAL H 1.0 1.8 5.64 1610 1245 A 101 TRP HE1 A 103 GLN HGy 1.0 1.8 4.22 1611 1245 A 101 TRP HE1 A 103 GLN HGx 1.0 1.8 4.22 1612 1246 A 101 TRP H A 101 TRP HBx 1.0 1.8 3.87 1613 1247 A 101 TRP HBy A 101 TRP H 1.0 1.8 3.87 1614 1248 A 102 VAL H A 101 TRP H 1.0 1.8 5.26 1615 1249 A 102 VAL HG1% A 102 VAL HA 1.0 1.8 3.78 1616 1250 A 102 VAL HG2% A 102 VAL HA 1.0 1.8 3.97 1617 1251 A 103 GLN H A 102 VAL HA 1.0 1.8 2.96 1618 1252 A 102 VAL HB A 103 GLN H 1.0 1.8 4.79 1619 1253 A 102 VAL HG1% A 103 GLN H 1.0 1.8 3.56 1620 1254 A 104 GLU H A 102 VAL HG1% 1.0 1.8 5.37 1621 1255 A 102 VAL HG1% A 125 LEU HD1% 1.0 1.8 3.59 1622 1256 A 125 LEU HD2% A 102 VAL HG1% 1.0 1.8 4.17 1623 1257 A 102 VAL HG2% A 103 GLN H 1.0 1.8 4.62 1624 1258 A 102 VAL HB A 102 VAL H 1.0 1.8 3.67 1625 1259 A 102 VAL H A 102 VAL HG1% 1.0 1.8 4.28 1626 1260 A 102 VAL HG2% A 102 VAL H 1.0 1.8 3.76 1627 1261 A 102 VAL H A 103 GLN H 1.0 1.8 5.15 1628 1262 A 103 GLN HA A 103 GLN HGy 1.0 1.8 3.90 1629 1262 A 103 GLN HA A 103 GLN HGx 1.0 1.8 3.90 1630 1263 A 104 GLU H A 103 GLN HA 1.0 1.8 3.17 1631 1264 A 103 GLN HBy A 103 GLN HE22 1.0 1.8 5.12 1632 1264 A 103 GLN HE21 A 103 GLN HBx 1.0 1.8 5.12 1633 1264 A 103 GLN HBy A 103 GLN HE21 1.0 1.8 5.12 1634 1264 A 103 GLN HBx A 103 GLN HE22 1.0 1.8 5.12 1635 1265 A 103 GLN HE21 A 103 GLN HGy 1.0 1.8 3.50 1636 1265 A 103 GLN HE22 A 103 GLN HGy 1.0 1.8 3.50 1637 1265 A 103 GLN HGx A 103 GLN HE22 1.0 1.8 3.50 1638 1265 A 103 GLN HGx A 103 GLN HE21 1.0 1.8 3.50 1639 1266 A 104 GLU H A 103 GLN HGy 1.0 1.8 4.97 1640 1266 A 104 GLU H A 103 GLN HGx 1.0 1.8 4.97 1641 1267 A 103 GLN H A 103 GLN HBx 1.0 1.8 3.84 1642 1268 A 103 GLN H A 103 GLN HBy 1.0 1.8 3.84 1643 1269 A 103 GLN H A 103 GLN HGy 1.0 1.8 4.98 1644 1269 A 103 GLN HGx A 103 GLN H 1.0 1.8 4.98 1645 1270 A 104 GLU H A 103 GLN H 1.0 1.8 5.61 1646 1271 A 105 THR H A 104 GLU HA 1.0 1.8 3.23 1647 1272 A 105 THR H A 104 GLU HBx 1.0 1.8 4.98 1648 1273 A 104 GLU HBy A 105 THR H 1.0 1.8 4.98 1649 1274 A 105 THR H A 104 GLU HGx 1.0 1.8 5.32 1650 1275 A 104 GLU HGy A 105 THR H 1.0 1.8 5.32 1651 1276 A 104 GLU H A 104 GLU HBx 1.0 1.8 3.31 1652 1276 A 104 GLU HBy A 104 GLU H 1.0 1.8 3.31 1653 1277 A 105 THR HG2% A 105 THR HA 1.0 1.8 3.67 1654 1278 A 106 PHE HD% A 105 THR HA 1.0 1.8 5.18 1655 1279 A 106 PHE H A 105 THR HA 1.0 1.8 3.15 1656 1280 A 106 PHE H A 105 THR HB 1.0 1.8 4.87 1657 1281 A 105 THR HG2% A 106 PHE H 1.0 1.8 3.62 1658 1282 A 105 THR H A 105 THR HB 1.0 1.8 3.87 1659 1283 A 105 THR HG2% A 105 THR H 1.0 1.8 4.88 1660 1284 A 106 PHE HD% A 106 PHE HA 1.0 1.8 5.22 1661 1285 A 107 ASP H A 106 PHE HA 1.0 1.8 3.22 1662 1286 A 107 ASP H A 106 PHE HBx 1.0 1.8 3.73 1663 1286 A 107 ASP H A 106 PHE HBy 1.0 1.8 3.73 1664 1287 A 121 TRP HE1 A 106 PHE HBx 1.0 1.8 5.58 1665 1287 A 106 PHE HBy A 121 TRP HE1 1.0 1.8 5.58 1666 1288 A 106 PHE HD% A 107 ASP H 1.0 1.8 4.88 1667 1289 A 106 PHE HD% A 108 ALA HA 1.0 1.8 4.74 1668 1290 A 106 PHE HE% A 117 GLN HBy 1.0 1.8 4.69 1669 1290 A 106 PHE HE% A 117 GLN HBx 1.0 1.8 4.69 1670 1291 A 106 PHE HE% A 121 TRP HE1 1.0 1.8 5.04 1671 1292 A 106 PHE HD% A 106 PHE H 1.0 1.8 3.88 1672 1293 A 106 PHE H A 107 ASP H 1.0 1.8 5.22 1673 1294 A 108 ALA H A 107 ASP HA 1.0 1.8 3.56 1674 1295 A 108 ALA H A 107 ASP HBy 1.0 1.8 4.05 1675 1295 A 108 ALA H A 107 ASP HBx 1.0 1.8 4.05 1676 1296 A 107 ASP H A 107 ASP HBy 1.0 1.8 3.53 1677 1296 A 107 ASP HBx A 107 ASP H 1.0 1.8 3.53 1678 1297 A 108 ALA H A 107 ASP H 1.0 1.8 5.29 1679 1298 A 108 ALA HA A 109 GLU HGy 1.0 1.8 6.05 1680 1298 A 108 ALA HA A 109 GLU HGx 1.0 1.8 6.05 1681 1299 A 108 ALA HA A 109 GLU H 1.0 1.8 3.36 1682 1300 A 108 ALA HB% A 109 GLU H 1.0 1.8 3.85 1683 1301 A 108 ALA HB% A 117 GLN HE21 1.0 1.8 4.84 1684 1301 A 108 ALA HB% A 117 GLN HE22 1.0 1.8 4.84 1685 1302 A 108 ALA HB% A 108 ALA H 1.0 1.8 3.21 1686 1303 A 108 ALA H A 109 GLU H 1.0 1.8 5.22 1687 1304 A 109 GLU HA A 110 THR HG2% 1.0 1.8 4.40 1688 1305 A 109 GLU HA A 110 THR H 1.0 1.8 3.73 1689 1306 A 110 THR H A 109 GLU HBy 1.0 1.8 3.87 1690 1306 A 110 THR H A 109 GLU HBx 1.0 1.8 3.87 1691 1307 A 111 SER H A 109 GLU HBy 1.0 1.8 4.47 1692 1307 A 109 GLU HBx A 111 SER H 1.0 1.8 4.47 1693 1308 A 110 THR H A 109 GLU HGy 1.0 1.8 4.81 1694 1308 A 109 GLU HGx A 110 THR H 1.0 1.8 4.81 1695 1309 A 117 GLN HE22 A 109 GLU HGy 1.0 1.8 4.89 1696 1309 A 109 GLU HGx A 117 GLN HE22 1.0 1.8 4.89 1697 1310 A 109 GLU H A 109 GLU HGy 1.0 1.8 4.10 1698 1310 A 109 GLU HGx A 109 GLU H 1.0 1.8 4.10 1699 1311 A 109 GLU H A 117 GLN HE21 1.0 1.8 4.80 1700 1312 A 109 GLU H A 117 GLN HE22 1.0 1.8 4.98 1701 1313 A 110 THR HG2% A 110 THR HA 1.0 1.8 3.31 1702 1314 A 110 THR HA A 112 HIS H 1.0 1.8 4.97 1703 1315 A 111 SER H A 110 THR HB 1.0 1.8 5.33 1704 1316 A 110 THR HG2% A 110 THR H 1.0 1.8 3.89 1705 1317 A 110 THR H A 111 SER H 1.0 1.8 4.52 1706 1318 A 112 HIS H A 111 SER HBy 1.0 1.8 4.27 1707 1318 A 112 HIS H A 111 SER HBx 1.0 1.8 4.27 1708 1319 A 111 SER H A 112 HIS H 1.0 1.8 4.04 1709 1320 A 112 HIS HA A 113 THR H 1.0 1.8 3.69 1710 1321 A 112 HIS HBx A 116 GLN HBy 1.0 1.8 4.65 1711 1321 A 112 HIS HBy A 116 GLN HBy 1.0 1.8 4.65 1712 1321 A 116 GLN HBx A 112 HIS HBx 1.0 1.8 4.65 1713 1321 A 112 HIS HBy A 116 GLN HBx 1.0 1.8 4.65 1714 1322 A 113 THR H A 112 HIS HBx 1.0 1.8 4.66 1715 1323 A 117 GLN HE21 A 112 HIS HBx 1.0 1.8 5.57 1716 1324 A 117 GLN HGy A 112 HIS HBx 1.0 1.8 4.82 1717 1324 A 112 HIS HBx A 117 GLN HGx 1.0 1.8 4.82 1718 1325 A 113 THR H A 112 HIS HBy 1.0 1.8 4.66 1719 1326 A 117 GLN HE21 A 112 HIS HBy 1.0 1.8 5.57 1720 1327 A 112 HIS HBy A 117 GLN HGy 1.0 1.8 4.82 1721 1327 A 112 HIS HBy A 117 GLN HGx 1.0 1.8 4.82 1722 1328 A 113 THR HA A 113 THR HG2% 1.0 1.8 3.73 1723 1329 A 113 THR HA A 114 PRO HDx 1.0 1.8 3.26 1724 1329 A 113 THR HA A 114 PRO HDy 1.0 1.8 3.26 1725 1330 A 113 THR HA A 114 PRO HGy 1.0 1.8 4.63 1726 1330 A 114 PRO HGx A 113 THR HA 1.0 1.8 4.63 1727 1331 A 113 THR HA A 115 ALA H 1.0 1.8 4.73 1728 1332 A 113 THR HG2% A 114 PRO HDx 1.0 1.8 4.30 1729 1333 A 113 THR HG2% A 114 PRO HDy 1.0 1.8 4.30 1730 1334 A 113 THR HG2% A 115 ALA H 1.0 1.8 5.06 1731 1335 A 113 THR HG2% A 116 GLN H 1.0 1.8 5.16 1732 1336 A 113 THR H A 113 THR HG2% 1.0 1.8 3.75 1733 1337 A 113 THR H A 116 GLN HBy 1.0 1.8 4.05 1734 1337 A 113 THR H A 116 GLN HBx 1.0 1.8 4.05 1735 1338 A 113 THR H A 116 GLN HGy 1.0 1.8 5.08 1736 1338 A 113 THR H A 116 GLN HGx 1.0 1.8 5.08 1737 1339 A 113 THR H A 117 GLN HGx 1.0 1.8 5.64 1738 1339 A 113 THR H A 117 GLN HGy 1.0 1.8 5.64 1739 1340 A 114 PRO HA A 117 GLN HBy 1.0 1.8 4.74 1740 1340 A 114 PRO HA A 117 GLN HBx 1.0 1.8 4.74 1741 1341 A 114 PRO HA A 117 GLN HE21 1.0 1.8 6.05 1742 1341 A 114 PRO HA A 117 GLN HE22 1.0 1.8 6.05 1743 1342 A 114 PRO HA A 117 GLN H 1.0 1.8 4.47 1744 1343 A 114 PRO HA A 118 GLN H 1.0 1.8 4.66 1745 1344 A 114 PRO HBy A 115 ALA H 1.0 1.8 5.02 1746 1345 A 114 PRO HBx A 115 ALA H 1.0 1.8 5.02 1747 1346 A 115 ALA H A 114 PRO HDx 1.0 1.8 3.96 1748 1346 A 114 PRO HDy A 115 ALA H 1.0 1.8 3.96 1749 1347 A 115 ALA H A 114 PRO HGy 1.0 1.8 4.88 1750 1347 A 114 PRO HGx A 115 ALA H 1.0 1.8 4.88 1751 1348 A 115 ALA HA A 118 GLN HBx 1.0 1.8 3.64 1752 1348 A 118 GLN HBy A 115 ALA HA 1.0 1.8 3.64 1753 1349 A 118 GLN H A 115 ALA HA 1.0 1.8 4.76 1754 1350 A 116 GLN H A 115 ALA HB% 1.0 1.8 3.40 1755 1351 A 115 ALA HB% A 118 GLN HBx 1.0 1.8 5.26 1756 1351 A 118 GLN HBy A 115 ALA HB% 1.0 1.8 5.26 1757 1352 A 115 ALA H A 115 ALA HB% 1.0 1.8 2.96 1758 1353 A 115 ALA H A 116 GLN H 1.0 1.8 3.72 1759 1354 A 116 GLN HA A 116 GLN HGy 1.0 1.8 3.43 1760 1354 A 116 GLN HGx A 116 GLN HA 1.0 1.8 3.43 1761 1355 A 116 GLN HA A 119 ALA HB% 1.0 1.8 3.78 1762 1356 A 116 GLN HA A 119 ALA H 1.0 1.8 4.32 1763 1357 A 116 GLN HA A 120 GLY H 1.0 1.8 4.80 1764 1358 A 117 GLN H A 116 GLN HBy 1.0 1.8 3.41 1765 1358 A 117 GLN H A 116 GLN HBx 1.0 1.8 3.41 1766 1359 A 116 GLN HE2y A 116 GLN HGy 1.0 1.8 3.49 1767 1359 A 116 GLN HE2x A 116 GLN HGy 1.0 1.8 3.49 1768 1359 A 116 GLN HGx A 116 GLN HE2y 1.0 1.8 3.49 1769 1359 A 116 GLN HGx A 116 GLN HE2x 1.0 1.8 3.49 1770 1360 A 116 GLN H A 116 GLN HBy 1.0 1.8 3.19 1771 1360 A 116 GLN HBx A 116 GLN H 1.0 1.8 3.19 1772 1361 A 116 GLN H A 116 GLN HGy 1.0 1.8 4.02 1773 1361 A 116 GLN H A 116 GLN HGx 1.0 1.8 4.02 1774 1362 A 117 GLN HA A 117 GLN HGx 1.0 1.8 3.95 1775 1362 A 117 GLN HGy A 117 GLN HA 1.0 1.8 3.95 1776 1363 A 120 GLY H A 117 GLN HA 1.0 1.8 5.08 1777 1364 A 117 GLN HA A 121 TRP HD1 1.0 1.8 4.55 1778 1365 A 117 GLN HE21 A 117 GLN HBy 1.0 1.8 5.12 1779 1365 A 117 GLN HBx A 117 GLN HE21 1.0 1.8 5.12 1780 1366 A 118 GLN H A 117 GLN HBy 1.0 1.8 3.33 1781 1366 A 117 GLN HBx A 118 GLN H 1.0 1.8 3.33 1782 1367 A 121 TRP HD1 A 117 GLN HBy 1.0 1.8 4.94 1783 1367 A 117 GLN HBx A 121 TRP HD1 1.0 1.8 4.94 1784 1368 A 121 TRP HE1 A 117 GLN HBy 1.0 1.8 5.87 1785 1368 A 117 GLN HBx A 121 TRP HE1 1.0 1.8 5.87 1786 1369 A 118 GLN H A 117 GLN HGx 1.0 1.8 4.77 1787 1369 A 118 GLN H A 117 GLN HGy 1.0 1.8 4.77 1788 1370 A 117 GLN H A 117 GLN HBy 1.0 1.8 3.52 1789 1370 A 117 GLN HBx A 117 GLN H 1.0 1.8 3.52 1790 1371 A 117 GLN H A 117 GLN HE21 1.0 1.8 4.82 1791 1372 A 117 GLN H A 117 GLN HGx 1.0 1.8 3.50 1792 1372 A 117 GLN H A 117 GLN HGy 1.0 1.8 3.50 1793 1373 A 117 GLN H A 118 GLN H 1.0 1.8 3.67 1794 1374 A 117 GLN H A 119 ALA H 1.0 1.8 4.57 1795 1375 A 118 GLN HA A 118 GLN HGx 1.0 1.8 4.36 1796 1376 A 118 GLN HA A 118 GLN HGy 1.0 1.8 4.36 1797 1377 A 118 GLN HA A 121 TRP HBy 1.0 1.8 4.93 1798 1377 A 118 GLN HA A 121 TRP HBx 1.0 1.8 4.93 1799 1378 A 118 GLN HA A 121 TRP H 1.0 1.8 4.92 1800 1379 A 118 GLN HBy A 118 GLN HE21 1.0 1.8 4.72 1801 1379 A 118 GLN HBy A 118 GLN HE22 1.0 1.8 4.72 1802 1379 A 118 GLN HE22 A 118 GLN HBx 1.0 1.8 4.72 1803 1379 A 118 GLN HE21 A 118 GLN HBx 1.0 1.8 4.72 1804 1380 A 119 ALA HB% A 118 GLN HBx 1.0 1.8 5.52 1805 1380 A 118 GLN HBy A 119 ALA HB% 1.0 1.8 5.52 1806 1381 A 119 ALA H A 118 GLN HBx 1.0 1.8 3.38 1807 1381 A 118 GLN HBy A 119 ALA H 1.0 1.8 3.38 1808 1382 A 119 ALA H A 118 GLN HGx 1.0 1.8 4.98 1809 1382 A 118 GLN HGy A 119 ALA H 1.0 1.8 4.98 1810 1383 A 122 GLN H A 118 GLN HGx 1.0 1.8 6.05 1811 1383 A 118 GLN HGy A 122 GLN H 1.0 1.8 6.05 1812 1384 A 118 GLN HE21 A 118 GLN HGx 1.0 1.8 3.81 1813 1384 A 118 GLN HE22 A 118 GLN HGx 1.0 1.8 3.81 1814 1385 A 118 GLN HE22 A 118 GLN HGy 1.0 1.8 3.81 1815 1385 A 118 GLN HE21 A 118 GLN HGy 1.0 1.8 3.81 1816 1386 A 118 GLN H A 118 GLN HBx 1.0 1.8 3.59 1817 1386 A 118 GLN HBy A 118 GLN H 1.0 1.8 3.59 1818 1387 A 118 GLN H A 118 GLN HGx 1.0 1.8 5.69 1819 1388 A 118 GLN H A 118 GLN HGy 1.0 1.8 5.69 1820 1389 A 118 GLN H A 119 ALA HB% 1.0 1.8 5.48 1821 1390 A 118 GLN H A 119 ALA H 1.0 1.8 3.77 1822 1391 A 118 GLN H A 120 GLY H 1.0 1.8 5.39 1823 1392 A 119 ALA HA A 122 GLN HBx 1.0 1.8 3.82 1824 1392 A 119 ALA HA A 122 GLN HBy 1.0 1.8 3.82 1825 1393 A 122 GLN H A 119 ALA HA 1.0 1.8 4.57 1826 1394 A 119 ALA HA A 123 GLY H 1.0 1.8 5.17 1827 1395 A 119 ALA HB% A 120 GLY HAy 1.0 1.8 4.52 1828 1395 A 119 ALA HB% A 120 GLY HAx 1.0 1.8 4.52 1829 1396 A 119 ALA HB% A 120 GLY H 1.0 1.8 3.63 1830 1397 A 122 GLN H A 119 ALA HB% 1.0 1.8 6.05 1831 1398 A 119 ALA HB% A 119 ALA H 1.0 1.8 3.13 1832 1399 A 119 ALA H A 120 GLY H 1.0 1.8 3.70 1833 1400 A 120 GLY H A 121 TRP H 1.0 1.8 3.98 1834 1401 A 122 GLN H A 120 GLY H 1.0 1.8 5.70 1835 1402 A 121 TRP HA A 124 ILE HB 1.0 1.8 4.62 1836 1403 A 121 TRP HA A 124 ILE HD1% 1.0 1.8 4.52 1837 1404 A 122 GLN H A 121 TRP HBy 1.0 1.8 4.11 1838 1404 A 121 TRP HBx A 122 GLN H 1.0 1.8 4.11 1839 1405 A 121 TRP H A 121 TRP HBy 1.0 1.8 3.75 1840 1405 A 121 TRP HBx A 121 TRP H 1.0 1.8 3.75 1841 1406 A 121 TRP HD1 A 121 TRP H 1.0 1.8 4.03 1842 1407 A 122 GLN H A 121 TRP H 1.0 1.8 3.95 1843 1408 A 122 GLN HA A 122 GLN HE21 1.0 1.8 5.53 1844 1408 A 122 GLN HA A 122 GLN HE22 1.0 1.8 5.53 1845 1409 A 122 GLN HA A 125 LEU HBy 1.0 1.8 4.07 1846 1409 A 122 GLN HA A 125 LEU HBx 1.0 1.8 4.07 1847 1410 A 125 LEU HD2% A 122 GLN HA 1.0 1.8 4.86 1848 1411 A 122 GLN HA A 125 LEU H 1.0 1.8 4.53 1849 1412 A 122 GLN HA A 126 ASP H 1.0 1.8 4.91 1850 1413 A 122 GLN HE22 A 122 GLN HBx 1.0 1.8 5.07 1851 1413 A 122 GLN HE21 A 122 GLN HBy 1.0 1.8 5.07 1852 1413 A 122 GLN HE22 A 122 GLN HBy 1.0 1.8 5.07 1853 1413 A 122 GLN HE21 A 122 GLN HBx 1.0 1.8 5.07 1854 1414 A 123 GLY H A 122 GLN HBx 1.0 1.8 3.94 1855 1414 A 122 GLN HBy A 123 GLY H 1.0 1.8 3.94 1856 1415 A 125 LEU HD2% A 122 GLN HE21 1.0 1.8 4.77 1857 1416 A 125 LEU HD2% A 122 GLN HE22 1.0 1.8 4.77 1858 1417 A 122 GLN H A 122 GLN HBx 1.0 1.8 3.73 1859 1418 A 122 GLN H A 122 GLN HBy 1.0 1.8 3.73 1860 1419 A 122 GLN H A 122 GLN HGy 1.0 1.8 5.87 1861 1419 A 122 GLN H A 122 GLN HGx 1.0 1.8 5.87 1862 1420 A 122 GLN H A 123 GLY H 1.0 1.8 3.99 1863 1421 A 123 GLY HAy A 126 ASP HBy 1.0 1.8 4.29 1864 1421 A 123 GLY HAx A 126 ASP HBy 1.0 1.8 4.29 1865 1421 A 126 ASP HBx A 123 GLY HAx 1.0 1.8 4.29 1866 1421 A 123 GLY HAy A 126 ASP HBx 1.0 1.8 4.29 1867 1422 A 126 ASP H A 123 GLY HAx 1.0 1.8 5.18 1868 1422 A 126 ASP H A 123 GLY HAy 1.0 1.8 5.18 1869 1423 A 127 ASN H A 123 GLY HAx 1.0 1.8 5.89 1870 1423 A 123 GLY HAy A 127 ASN H 1.0 1.8 5.89 1871 1424 A 123 GLY H A 124 ILE H 1.0 1.8 4.04 1872 1425 A 124 ILE HD1% A 124 ILE HA 1.0 1.8 4.54 1873 1426 A 124 ILE HA A 124 ILE HG1x 1.0 1.8 4.46 1874 1427 A 124 ILE HG1y A 124 ILE HA 1.0 1.8 4.46 1875 1428 A 124 ILE HA A 127 ASN HBx 1.0 1.8 4.21 1876 1428 A 124 ILE HA A 127 ASN HBy 1.0 1.8 4.21 1877 1429 A 127 ASN H A 124 ILE HA 1.0 1.8 4.49 1878 1430 A 124 ILE HB A 125 LEU H 1.0 1.8 4.13 1879 1431 A 125 LEU H A 124 ILE HG1x 1.0 1.8 5.08 1880 1431 A 124 ILE HG1y A 125 LEU H 1.0 1.8 5.08 1881 1432 A 124 ILE HG2% A 124 ILE HD1% 1.0 1.8 3.70 1882 1433 A 124 ILE HG2% A 124 ILE HG1x 1.0 1.8 3.48 1883 1433 A 124 ILE HG2% A 124 ILE HG1y 1.0 1.8 3.48 1884 1434 A 124 ILE HG2% A 125 LEU H 1.0 1.8 4.77 1885 1435 A 124 ILE HB A 124 ILE H 1.0 1.8 3.56 1886 1436 A 124 ILE HD1% A 124 ILE H 1.0 1.8 4.39 1887 1437 A 124 ILE H A 124 ILE HG1x 1.0 1.8 3.47 1888 1437 A 124 ILE HG1y A 124 ILE H 1.0 1.8 3.47 1889 1438 A 124 ILE HG2% A 124 ILE H 1.0 1.8 4.31 1890 1439 A 125 LEU H A 124 ILE H 1.0 1.8 3.75 1891 1440 A 126 ASP H A 124 ILE H 1.0 1.8 5.25 1892 1441 A 125 LEU HD1% A 125 LEU HA 1.0 1.8 3.54 1893 1442 A 125 LEU HD2% A 125 LEU HA 1.0 1.8 4.87 1894 1443 A 125 LEU HA A 128 PHE HBy 1.0 1.8 4.03 1895 1443 A 125 LEU HA A 128 PHE HBx 1.0 1.8 4.03 1896 1444 A 125 LEU HA A 128 PHE H 1.0 1.8 5.17 1897 1445 A 129 LYS H A 125 LEU HA 1.0 1.8 5.19 1898 1446 A 125 LEU HD1% A 125 LEU HBy 1.0 1.8 3.39 1899 1446 A 125 LEU HBx A 125 LEU HD1% 1.0 1.8 3.39 1900 1447 A 126 ASP H A 125 LEU HBy 1.0 1.8 3.84 1901 1447 A 125 LEU HBx A 126 ASP H 1.0 1.8 3.84 1902 1448 A 125 LEU HD2% A 125 LEU HBx 1.0 1.8 3.67 1903 1449 A 125 LEU HD2% A 125 LEU HBy 1.0 1.8 3.67 1904 1450 A 125 LEU HD1% A 126 ASP H 1.0 1.8 5.08 1905 1451 A 125 LEU HD1% A 128 PHE HBy 1.0 1.8 5.03 1906 1451 A 125 LEU HD1% A 128 PHE HBx 1.0 1.8 5.03 1907 1452 A 125 LEU HD1% A 129 LYS H 1.0 1.8 5.20 1908 1453 A 125 LEU HD2% A 126 ASP H 1.0 1.8 5.22 1909 1454 A 125 LEU HG A 126 ASP H 1.0 1.8 4.92 1910 1455 A 125 LEU HG A 129 LYS H 1.0 1.8 5.50 1911 1456 A 125 LEU H A 125 LEU HBy 1.0 1.8 3.38 1912 1456 A 125 LEU HBx A 125 LEU H 1.0 1.8 3.38 1913 1457 A 125 LEU HD1% A 125 LEU H 1.0 1.8 4.50 1914 1458 A 125 LEU HD2% A 125 LEU H 1.0 1.8 5.21 1915 1459 A 125 LEU H A 126 ASP H 1.0 1.8 3.97 1916 1460 A 126 ASP HA A 129 LYS HBx 1.0 1.8 4.32 1917 1460 A 129 LYS HBy A 126 ASP HA 1.0 1.8 4.32 1918 1461 A 129 LYS H A 126 ASP HA 1.0 1.8 4.52 1919 1462 A 126 ASP HA A 130 ARG H 1.0 1.8 5.08 1920 1463 A 127 ASN H A 126 ASP HBy 1.0 1.8 4.02 1921 1463 A 126 ASP HBx A 127 ASN H 1.0 1.8 4.02 1922 1464 A 126 ASP H A 126 ASP HBy 1.0 1.8 3.49 1923 1464 A 126 ASP H A 126 ASP HBx 1.0 1.8 3.49 1924 1465 A 126 ASP H A 127 ASN H 1.0 1.8 3.88 1925 1466 A 127 ASN HA A 127 ASN HD22 1.0 1.8 4.10 1926 1466 A 127 ASN HA A 127 ASN HD21 1.0 1.8 4.10 1927 1467 A 127 ASN HA A 130 ARG HBy 1.0 1.8 4.46 1928 1467 A 127 ASN HA A 130 ARG HBx 1.0 1.8 4.46 1929 1468 A 130 ARG H A 127 ASN HA 1.0 1.8 4.44 1930 1469 A 128 PHE H A 127 ASN HBx 1.0 1.8 5.21 1931 1470 A 127 ASN HBy A 128 PHE H 1.0 1.8 5.21 1932 1471 A 127 ASN H A 127 ASN HBx 1.0 1.8 3.20 1933 1471 A 127 ASN H A 127 ASN HBy 1.0 1.8 3.20 1934 1472 A 127 ASN H A 128 PHE H 1.0 1.8 3.90 1935 1473 A 128 PHE HD% A 128 PHE HA 1.0 1.8 5.06 1936 1474 A 128 PHE HA A 131 TYR HBy 1.0 1.8 4.17 1937 1474 A 131 TYR HBx A 128 PHE HA 1.0 1.8 4.17 1938 1475 A 129 LYS H A 128 PHE HBy 1.0 1.8 4.26 1939 1475 A 129 LYS H A 128 PHE HBx 1.0 1.8 4.26 1940 1476 A 128 PHE HE% A 132 VAL HG1% 1.0 1.8 4.71 1941 1477 A 128 PHE HE% A 132 VAL HG2% 1.0 1.8 4.43 1942 1478 A 129 LYS H A 128 PHE H 1.0 1.8 4.30 1943 1479 A 129 LYS HA A 132 VAL HB 1.0 1.8 5.27 1944 1480 A 129 LYS HA A 132 VAL HG1% 1.0 1.8 5.18 1945 1481 A 129 LYS HA A 132 VAL HG2% 1.0 1.8 4.33 1946 1482 A 129 LYS HA A 133 GLU H 1.0 1.8 6.04 1947 1483 A 129 LYS HBy A 129 LYS HEy 1.0 1.8 4.63 1948 1483 A 129 LYS HBx A 129 LYS HEy 1.0 1.8 4.63 1949 1483 A 129 LYS HEx A 129 LYS HBx 1.0 1.8 4.63 1950 1483 A 129 LYS HBy A 129 LYS HEx 1.0 1.8 4.63 1951 1484 A 130 ARG H A 129 LYS HBx 1.0 1.8 4.57 1952 1485 A 129 LYS HBy A 130 ARG H 1.0 1.8 4.57 1953 1486 A 129 LYS HEy A 129 LYS HGy 1.0 1.8 3.58 1954 1486 A 129 LYS HEx A 129 LYS HGy 1.0 1.8 3.58 1955 1486 A 129 LYS HGx A 129 LYS HEy 1.0 1.8 3.58 1956 1486 A 129 LYS HGx A 129 LYS HEx 1.0 1.8 3.58 1957 1487 A 130 ARG HA A 129 LYS HGy 1.0 1.8 4.82 1958 1487 A 129 LYS HGx A 130 ARG HA 1.0 1.8 4.82 1959 1488 A 130 ARG H A 129 LYS HGy 1.0 1.8 4.27 1960 1488 A 129 LYS HGx A 130 ARG H 1.0 1.8 4.27 1961 1489 A 129 LYS H A 129 LYS HBx 1.0 1.8 3.60 1962 1489 A 129 LYS HBy A 129 LYS H 1.0 1.8 3.60 1963 1490 A 129 LYS H A 129 LYS HDy 1.0 1.8 5.87 1964 1490 A 129 LYS HDx A 129 LYS H 1.0 1.8 5.87 1965 1491 A 129 LYS H A 129 LYS HGy 1.0 1.8 4.49 1966 1491 A 129 LYS H A 129 LYS HGx 1.0 1.8 4.49 1967 1492 A 129 LYS H A 130 ARG H 1.0 1.8 4.17 1968 1493 A 130 ARG HA A 130 ARG HGy 1.0 1.8 3.77 1969 1493 A 130 ARG HA A 130 ARG HGx 1.0 1.8 3.77 1970 1494 A 130 ARG HA A 133 GLU HBx 1.0 1.8 5.10 1971 1495 A 130 ARG HA A 133 GLU HBy 1.0 1.8 5.10 1972 1496 A 130 ARG HA A 133 GLU HGy 1.0 1.8 5.40 1973 1496 A 133 GLU HGx A 130 ARG HA 1.0 1.8 5.40 1974 1497 A 130 ARG HBy A 130 ARG HDy 1.0 1.8 3.40 1975 1497 A 130 ARG HDx A 130 ARG HBy 1.0 1.8 3.40 1976 1497 A 130 ARG HBx A 130 ARG HDx 1.0 1.8 3.40 1977 1497 A 130 ARG HBx A 130 ARG HDy 1.0 1.8 3.40 1978 1498 A 130 ARG HE A 130 ARG HBy 1.0 1.8 5.85 1979 1498 A 130 ARG HBx A 130 ARG HE 1.0 1.8 5.85 1980 1499 A 130 ARG HBx A 131 TYR H 1.0 1.8 4.43 1981 1500 A 131 TYR H A 130 ARG HBy 1.0 1.8 4.43 1982 1501 A 130 ARG H A 130 ARG HBy 1.0 1.8 3.43 1983 1501 A 130 ARG H A 130 ARG HBx 1.0 1.8 3.43 1984 1502 A 130 ARG H A 130 ARG HGy 1.0 1.8 4.29 1985 1502 A 130 ARG H A 130 ARG HGx 1.0 1.8 4.29 1986 1503 A 130 ARG H A 131 TYR H 1.0 1.8 4.03 1987 1504 A 131 TYR HD% A 131 TYR HA 1.0 1.8 4.21 1988 1505 A 131 TYR HA A 134 ALA HB% 1.0 1.8 3.94 1989 1506 A 131 TYR HA A 134 ALA H 1.0 1.8 4.51 1990 1507 A 132 VAL H A 131 TYR HBy 1.0 1.8 3.94 1991 1507 A 131 TYR HBx A 132 VAL H 1.0 1.8 3.94 1992 1508 A 131 TYR HD% A 132 VAL HA 1.0 1.8 4.89 1993 1509 A 132 VAL HB A 131 TYR HD% 1.0 1.8 5.98 1994 1510 A 132 VAL HG2% A 131 TYR HD% 1.0 1.8 4.22 1995 1511 A 131 TYR HD% A 132 VAL H 1.0 1.8 4.39 1996 1512 A 131 TYR HD% A 135 ALA HB% 1.0 1.8 5.16 1997 1513 A 132 VAL HG2% A 131 TYR HE% 1.0 1.8 4.81 1998 1514 A 131 TYR HE% A 135 ALA HB% 1.0 1.8 4.58 1999 1515 A 131 TYR HBx A 131 TYR H 1.0 1.8 3.97 2000 1516 A 131 TYR H A 131 TYR HBy 1.0 1.8 3.97 2001 1517 A 131 TYR HD% A 131 TYR H 1.0 1.8 4.83 2002 1518 A 132 VAL HG2% A 131 TYR H 1.0 1.8 5.41 2003 1519 A 131 TYR H A 132 VAL H 1.0 1.8 3.93 2004 1520 A 132 VAL HG1% A 132 VAL HA 1.0 1.8 3.90 2005 1521 A 132 VAL HG2% A 132 VAL HA 1.0 1.8 3.76 2006 1522 A 134 ALA H A 132 VAL HA 1.0 1.8 5.08 2007 1523 A 132 VAL HA A 135 ALA HB% 1.0 1.8 4.00 2008 1524 A 132 VAL HA A 135 ALA H 1.0 1.8 4.26 2009 1525 A 137 LEU HD1% A 132 VAL HA 1.0 1.8 4.74 2010 1526 A 137 LEU HD2% A 132 VAL HA 1.0 1.8 5.14 2011 1527 A 132 VAL HB A 133 GLU H 1.0 1.8 3.48 2012 1528 A 132 VAL HG1% A 133 GLU HA 1.0 1.8 4.84 2013 1529 A 132 VAL HG1% A 133 GLU H 1.0 1.8 4.17 2014 1530 A 132 VAL HG1% A 134 ALA H 1.0 1.8 5.92 2015 1531 A 132 VAL HG1% A 137 LEU HD1% 1.0 1.8 4.13 2016 1532 A 132 VAL HG2% A 133 GLU H 1.0 1.8 4.28 2017 1533 A 132 VAL HG2% A 134 ALA H 1.0 1.8 6.05 2018 1534 A 132 VAL HG2% A 135 ALA HB% 1.0 1.8 5.08 2019 1535 A 132 VAL HB A 132 VAL H 1.0 1.8 3.74 2020 1536 A 132 VAL HG1% A 132 VAL H 1.0 1.8 4.16 2021 1537 A 132 VAL HG2% A 132 VAL H 1.0 1.8 3.54 2022 1538 A 133 GLU H A 132 VAL H 1.0 1.8 3.88 2023 1539 A 134 ALA H A 132 VAL H 1.0 1.8 5.37 2024 1540 A 133 GLU HA A 133 GLU HGy 1.0 1.8 3.67 2025 1540 A 133 GLU HA A 133 GLU HGx 1.0 1.8 3.67 2026 1541 A 133 GLU HA A 135 ALA H 1.0 1.8 5.67 2027 1542 A 133 GLU HBx A 134 ALA H 1.0 1.8 4.53 2028 1543 A 133 GLU HBy A 134 ALA H 1.0 1.8 4.53 2029 1544 A 133 GLU H A 133 GLU HBx 1.0 1.8 4.29 2030 1545 A 133 GLU H A 133 GLU HBy 1.0 1.8 4.29 2031 1546 A 133 GLU H A 133 GLU HGy 1.0 1.8 3.67 2032 1546 A 133 GLU HGx A 133 GLU H 1.0 1.8 3.67 2033 1547 A 133 GLU H A 134 ALA H 1.0 1.8 3.63 2034 1548 A 134 ALA HB% A 135 ALA H 1.0 1.8 3.51 2035 1549 A 134 ALA HB% A 136 GLY H 1.0 1.8 5.31 2036 1550 A 134 ALA HB% A 134 ALA H 1.0 1.8 3.10 2037 1551 A 134 ALA H A 135 ALA HB% 1.0 1.8 4.71 2038 1552 A 134 ALA H A 135 ALA H 1.0 1.8 3.34 2039 1553 A 134 ALA H A 136 GLY H 1.0 1.8 5.68 2040 1554 A 135 ALA HB% A 136 GLY HAx 1.0 1.8 5.46 2041 1554 A 136 GLY HAy A 135 ALA HB% 1.0 1.8 5.46 2042 1555 A 135 ALA HB% A 136 GLY H 1.0 1.8 3.84 2043 1556 A 135 ALA HB% A 137 LEU HA 1.0 1.8 5.33 2044 1557 A 137 LEU HD1% A 135 ALA HB% 1.0 1.8 4.40 2045 1558 A 137 LEU HD2% A 135 ALA HB% 1.0 1.8 4.21 2046 1559 A 135 ALA HB% A 137 LEU H 1.0 1.8 4.53 2047 1560 A 135 ALA HB% A 135 ALA H 1.0 1.8 2.99 2048 1561 A 135 ALA H A 136 GLY H 1.0 1.8 3.85 2049 1562 A 137 LEU HG A 136 GLY HAx 1.0 1.8 5.84 2050 1562 A 136 GLY HAy A 137 LEU HG 1.0 1.8 5.84 2051 1563 A 137 LEU HD2% A 136 GLY H 1.0 1.8 5.44 2052 1564 A 137 LEU HD1% A 137 LEU HA 1.0 1.8 4.39 2053 1565 A 137 LEU HD2% A 137 LEU HA 1.0 1.8 3.45 2054 1566 A 137 LEU HA A 137 LEU HG 1.0 1.8 3.79 2055 1567 A 137 LEU HA A 138 GLU H 1.0 1.8 3.56 2056 1568 A 137 LEU HD1% A 137 LEU HBy 1.0 1.8 3.23 2057 1568 A 137 LEU HD1% A 137 LEU HBx 1.0 1.8 3.23 2058 1569 A 137 LEU HD2% A 137 LEU HBy 1.0 1.8 3.51 2059 1569 A 137 LEU HD2% A 137 LEU HBx 1.0 1.8 3.51 2060 1570 A 138 GLU H A 137 LEU HBy 1.0 1.8 4.25 2061 1570 A 138 GLU H A 137 LEU HBx 1.0 1.8 4.25 2062 1571 A 137 LEU HD2% A 138 GLU H 1.0 1.8 4.97 2063 1572 A 137 LEU HG A 138 GLU H 1.0 1.8 5.79 2064 1573 A 137 LEU H A 137 LEU HBy 1.0 1.8 3.77 2065 1573 A 137 LEU H A 137 LEU HBx 1.0 1.8 3.77 2066 1574 A 137 LEU HD1% A 137 LEU H 1.0 1.8 5.01 2067 1575 A 137 LEU HD2% A 137 LEU H 1.0 1.8 4.13 2068 1576 A 137 LEU H A 138 GLU H 1.0 1.8 3.85 2069 1577 A 138 GLU HA A 138 GLU HGx 1.0 1.8 4.54 2070 1578 A 138 GLU HA A 138 GLU HGy 1.0 1.8 4.54 2071 1579 A 138 GLU H A 138 GLU HBx 1.0 1.8 3.48 2072 1579 A 138 GLU H A 138 GLU HBy 1.0 1.8 3.48 2073 1580 A 138 GLU H A 138 GLU HGx 1.0 1.8 4.36 2074 1581 A 138 GLU H A 138 GLU HGy 1.0 1.8 4.36 2075 1582 A 143 HIS HA A 144 HIS H 1.0 1.8 3.63 2076 1583 A 144 HIS H A 144 HIS HBy 1.0 1.8 3.89 2077 1583 A 144 HIS H A 144 HIS HBx 1.0 1.8 3.89 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 3 ILE H A 106 PHE O 1.0 1.7 2.3 2 2 A 106 PHE O A 3 ILE N 1.0 2.7 3.3 3 3 A 5 ILE H A 104 GLU O 1.0 1.7 2.3 4 4 A 104 GLU O A 5 ILE N 1.0 2.7 3.3 5 5 A 7 ALA H A 102 VAL O 1.0 1.7 2.3 6 6 A 102 VAL O A 7 ALA N 1.0 2.7 3.3 7 7 A 9 ILE H A 100 THR O 1.0 1.7 2.3 8 8 A 100 THR O A 9 ILE N 1.0 2.7 3.3 9 9 A 16 VAL H A 12 GLU O 1.0 1.7 2.3 10 10 A 12 GLU O A 16 VAL N 1.0 2.7 3.3 11 11 A 17 TRP H A 13 ILE O 1.0 1.7 2.3 12 12 A 13 ILE O A 17 TRP N 1.0 2.7 3.3 13 13 A 18 TRP H A 14 GLU O 1.0 1.7 2.3 14 14 A 14 GLU O A 18 TRP N 1.0 2.7 3.3 15 15 A 19 ALA H A 15 ALA O 1.0 1.7 2.3 16 16 A 15 ALA O A 19 ALA N 1.0 2.7 3.3 17 17 A 20 TRP H A 16 VAL O 1.0 1.7 2.3 18 18 A 16 VAL O A 20 TRP N 1.0 2.7 3.3 19 19 A 21 ASN H A 17 TRP O 1.0 1.7 2.3 20 20 A 17 TRP O A 21 ASN N 1.0 2.7 3.3 21 21 A 22 ASP H A 18 TRP O 1.0 1.7 2.3 22 22 A 18 TRP O A 22 ASP N 1.0 2.7 3.3 23 23 A 27 ALA H A 23 PRO O 1.0 1.7 2.3 24 24 A 23 PRO O A 27 ALA N 1.0 2.7 3.3 25 25 A 37 HIS H A 56 ALA O 1.0 1.7 2.3 26 26 A 56 ALA O A 37 HIS N 1.0 2.7 3.3 27 27 A 42 ARG H A 52 CYS O 1.0 1.7 2.3 28 28 A 52 CYS O A 42 ARG N 1.0 2.7 3.3 29 29 A 44 ASP H A 50 ARG O 1.0 1.7 2.3 30 30 A 50 ARG O A 44 ASP N 1.0 2.7 3.3 31 31 A 48 GLY H A 70 PHE O 1.0 1.7 2.3 32 32 A 70 PHE O A 48 GLY N 1.0 2.7 3.3 33 33 A 51 PHE H A 68 GLY O 1.0 1.7 2.3 34 34 A 68 GLY O A 51 PHE N 1.0 2.7 3.3 35 35 A 52 CYS H A 42 ARG O 1.0 1.7 2.3 36 36 A 42 ARG O A 52 CYS N 1.0 2.7 3.3 37 37 A 53 HIS H A 66 PHE O 1.0 1.7 2.3 38 38 A 66 PHE O A 53 HIS N 1.0 2.7 3.3 39 39 A 54 HIS H A 40 GLY O 1.0 1.7 2.3 40 40 A 40 GLY O A 54 HIS N 1.0 2.7 3.3 41 41 A 55 MET H A 64 PHE O 1.0 1.7 2.3 42 42 A 64 PHE O A 55 MET N 1.0 2.7 3.3 43 43 A 56 ALA H A 37 HIS O 1.0 1.7 2.3 44 44 A 37 HIS O A 56 ALA N 1.0 2.7 3.3 45 45 A 57 ALA H A 62 ALA O 1.0 1.7 2.3 46 46 A 62 ALA O A 57 ALA N 1.0 2.7 3.3 47 47 A 64 PHE H A 55 MET O 1.0 1.7 2.3 48 48 A 55 MET O A 64 PHE N 1.0 2.7 3.3 49 49 A 68 GLY H A 51 PHE O 1.0 1.7 2.3 50 50 A 51 PHE O A 68 GLY N 1.0 2.7 3.3 51 51 A 69 THR H A 82 VAL O 1.0 1.7 2.3 52 52 A 82 VAL O A 69 THR N 1.0 2.7 3.3 53 53 A 70 PHE H A 49 GLY O 1.0 1.7 2.3 54 54 A 49 GLY O A 70 PHE N 1.0 2.7 3.3 55 55 A 74 GLU H A 78 ARG O 1.0 1.7 2.3 56 56 A 78 ARG O A 74 GLU N 1.0 2.7 3.3 57 57 A 79 LEU H A 91 VAL O 1.0 1.7 2.3 58 58 A 91 VAL O A 79 LEU N 1.0 2.7 3.3 59 59 A 80 SER H A 72 ARG O 1.0 1.7 2.3 60 60 A 72 ARG O A 80 SER N 1.0 2.7 3.3 61 61 A 81 PHE H A 89 VAL O 1.0 1.7 2.3 62 62 A 89 VAL O A 81 PHE N 1.0 2.7 3.3 63 63 A 82 VAL H A 69 THR O 1.0 1.7 2.3 64 64 A 69 THR O A 82 VAL N 1.0 2.7 3.3 65 65 A 83 MET H A 87 ARG O 1.0 1.7 2.3 66 66 A 87 ARG O A 83 MET N 1.0 2.7 3.3 67 67 A 86 GLY H A 83 MET O 1.0 1.7 2.3 68 68 A 83 MET O A 86 GLY N 1.0 2.7 3.3 69 69 A 89 VAL H A 81 PHE O 1.0 1.7 2.3 70 70 A 81 PHE O A 89 VAL N 1.0 2.7 3.3 71 71 A 90 ASP H A 105 THR O 1.0 1.7 2.3 72 72 A 105 THR O A 90 ASP N 1.0 2.7 3.3 73 73 A 91 VAL H A 79 LEU O 1.0 1.7 2.3 74 74 A 79 LEU O A 91 VAL N 1.0 2.7 3.3 75 75 A 92 GLN H A 103 GLN O 1.0 1.7 2.3 76 76 A 103 GLN O A 92 GLN N 1.0 2.7 3.3 77 77 A 93 PHE H A 77 THR O 1.0 1.7 2.3 78 78 A 77 THR O A 93 PHE N 1.0 2.7 3.3 79 79 A 94 ALA H A 101 TRP O 1.0 1.7 2.3 80 80 A 101 TRP O A 94 ALA N 1.0 2.7 3.3 81 81 A 96 GLU H A 99 GLY O 1.0 1.7 2.3 82 82 A 99 GLY O A 96 GLU N 1.0 2.7 3.3 83 83 A 101 TRP H A 94 ALA O 1.0 1.7 2.3 84 84 A 94 ALA O A 101 TRP N 1.0 2.7 3.3 85 85 A 102 VAL H A 7 ALA O 1.0 1.7 2.3 86 86 A 7 ALA O A 102 VAL N 1.0 2.7 3.3 87 87 A 103 GLN H A 92 GLN O 1.0 1.7 2.3 88 88 A 92 GLN O A 103 GLN N 1.0 2.7 3.3 89 89 A 104 GLU H A 5 ILE O 1.0 1.7 2.3 90 90 A 5 ILE O A 104 GLU N 1.0 2.7 3.3 91 91 A 105 THR H A 90 ASP O 1.0 1.7 2.3 92 92 A 90 ASP O A 105 THR N 1.0 2.7 3.3 93 93 A 106 PHE H A 3 ILE O 1.0 1.7 2.3 94 94 A 3 ILE O A 106 PHE N 1.0 2.7 3.3 95 95 A 107 ASP H A 88 GLU O 1.0 1.7 2.3 96 96 A 88 GLU O A 107 ASP N 1.0 2.7 3.3 97 97 A 117 GLN H A 113 THR O 1.0 1.7 2.3 98 98 A 113 THR O A 117 GLN N 1.0 2.7 3.3 99 99 A 118 GLN H A 114 PRO O 1.0 1.7 2.3 100 100 A 114 PRO O A 118 GLN N 1.0 2.7 3.3 101 101 A 119 ALA H A 115 ALA O 1.0 1.7 2.3 102 102 A 115 ALA O A 119 ALA N 1.0 2.7 3.3 103 103 A 120 GLY H A 116 GLN O 1.0 1.7 2.3 104 104 A 116 GLN O A 120 GLY N 1.0 2.7 3.3 105 105 A 121 TRP H A 117 GLN O 1.0 1.7 2.3 106 106 A 117 GLN O A 121 TRP N 1.0 2.7 3.3 107 107 A 122 GLN H A 118 GLN O 1.0 1.7 2.3 108 108 A 118 GLN O A 122 GLN N 1.0 2.7 3.3 109 109 A 126 ASP H A 122 GLN O 1.0 1.7 2.3 110 110 A 122 GLN O A 126 ASP N 1.0 2.7 3.3 111 111 A 127 ASN H A 123 GLY O 1.0 1.7 2.3 112 112 A 123 GLY O A 127 ASN N 1.0 2.7 3.3 113 113 A 128 PHE H A 124 ILE O 1.0 1.7 2.3 114 114 A 124 ILE O A 128 PHE N 1.0 2.7 3.3 115 115 A 129 LYS H A 125 LEU O 1.0 1.7 2.3 116 116 A 125 LEU O A 129 LYS N 1.0 2.7 3.3 117 117 A 133 GLU H A 129 LYS O 1.0 1.7 2.3 118 118 A 129 LYS O A 133 GLU N 1.0 2.7 3.3 119 119 A 134 ALA H A 130 ARG O 1.0 1.7 2.3 120 120 A 130 ARG O A 134 ALA N 1.0 2.7 3.3 121 121 A 135 ALA H A 131 TYR O 1.0 1.7 2.3 122 122 A 131 TYR O A 135 ALA 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 1 MET C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -154.6 -76.6 PHI 2 2 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 ILE N 1.0 110.8 164.6 PSI 3 3 A 2 LYS C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -162.9 -86.1 PHI 4 4 A 3 ILE N A 3 ILE CA A 3 ILE C A 4 SER N 1.0 108.2 164.2 PSI 5 5 A 3 ILE C A 4 SER N A 4 SER CA A 4 SER C 1.0 -134.1 -72.9 PHI 6 6 A 4 SER N A 4 SER CA A 4 SER C A 5 ILE N 1.0 106.8 186.8 PSI 7 7 A 4 SER C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -161.6 -117.8 PHI 8 8 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 GLU N 1.0 136.7 185.5 PSI 9 9 A 5 ILE C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -175.2 -84.2 PHI 10 10 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 ALA N 1.0 136.9 176.9 PSI 11 11 A 6 GLU C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -185.2 -105.2 PHI 12 12 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 HIS N 1.0 110.5 166.9 PSI 13 13 A 7 ALA C A 8 HIS N A 8 HIS CA A 8 HIS C 1.0 -145.6 -70.6 PHI 14 14 A 8 HIS N A 8 HIS CA A 8 HIS C A 9 ILE N 1.0 83.9 163.9 PSI 15 15 A 8 HIS C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -145.3 -69.3 PHI 16 16 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 GLU N 1.0 81.2 150.4 PSI 17 17 A 9 ILE C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -125.0 -77.2 PHI 18 18 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 GLN N 1.0 56.0 196.0 PSI 19 19 A 10 GLU C A 11 GLN N A 11 GLN CA A 11 GLN C 1.0 -171.6 -85.4 PHI 20 20 A 11 GLN N A 11 GLN CA A 11 GLN C A 12 GLU N 1.0 118.7 165.9 PSI 21 21 A 12 GLU C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -77.6 -37.6 PHI 22 22 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 GLU N 1.0 -68.1 -9.3 PSI 23 23 A 13 ILE C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -78.8 -38.8 PHI 24 24 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 ALA N 1.0 -67.1 -27.1 PSI 25 25 A 14 GLU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -86.7 -46.7 PHI 26 26 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 VAL N 1.0 -56.7 -16.7 PSI 27 27 A 15 ALA C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -85.0 -45.0 PHI 28 28 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 TRP N 1.0 -63.7 -23.7 PSI 29 29 A 16 VAL C A 17 TRP N A 17 TRP CA A 17 TRP C 1.0 -80.8 -40.8 PHI 30 30 A 17 TRP N A 17 TRP CA A 17 TRP C A 18 TRP N 1.0 -63.8 -23.8 PSI 31 31 A 17 TRP C A 18 TRP N A 18 TRP CA A 18 TRP C 1.0 -78.9 -38.9 PHI 32 32 A 18 TRP N A 18 TRP CA A 18 TRP C A 19 ALA N 1.0 -61.8 -21.8 PSI 33 33 A 18 TRP C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -85.8 -45.8 PHI 34 34 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 TRP N 1.0 -62.9 6.3 PSI 35 35 A 19 ALA C A 20 TRP N A 20 TRP CA A 20 TRP C 1.0 -94.2 -42.0 PHI 36 36 A 20 TRP N A 20 TRP CA A 20 TRP C A 21 ASN N 1.0 -52.5 -3.3 PSI 37 37 A 20 TRP C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -139.0 -68.0 PHI 38 38 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 ASP N 1.0 -34.1 33.9 PSI 39 39 A 21 ASN C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -117.3 -33.9 PHI 40 40 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 PRO N 1.0 91.8 145.2 PSI 41 41 A 22 ASP C A 23 PRO N A 23 PRO CA A 23 PRO C 1.0 -74.6 -34.6 PHI 42 42 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 ASP N 1.0 -52.1 -12.1 PSI 43 43 A 23 PRO C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -86.2 -46.2 PHI 44 44 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 CYS N 1.0 -55.8 -15.8 PSI 45 45 A 24 ASP C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -93.2 -33.2 PHI 46 46 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 ILE N 1.0 -62.2 -22.2 PSI 47 47 A 25 CYS C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -87.6 -47.6 PHI 48 48 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 ALA N 1.0 -66.3 -26.3 PSI 49 49 A 26 ILE C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -85.1 -45.1 PHI 50 50 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 ARG N 1.0 -57.3 1.9 PSI 51 51 A 27 ALA C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -120.5 -51.9 PHI 52 52 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 TRP N 1.0 -57.6 37.8 PSI 53 53 A 30 ASN C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -174.4 -34.4 PHI 54 54 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ALA N 1.0 80.6 220.6 PSI 55 55 A 31 ALA C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -120.0 -53.8 PHI 56 56 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 SER N 1.0 -52.9 7.3 PSI 57 57 A 32 ALA C A 33 SER N A 33 SER CA A 33 SER C 1.0 -193.4 -53.4 PHI 58 58 A 33 SER N A 33 SER CA A 33 SER C A 34 SER N 1.0 125.9 192.9 PSI 59 59 A 33 SER C A 34 SER N A 34 SER CA A 34 SER C 1.0 -98.8 -15.6 PHI 60 60 A 34 SER N A 34 SER CA A 34 SER C A 35 ASP N 1.0 -68.5 10.1 PSI 61 61 A 34 SER C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -133.9 -56.9 PHI 62 62 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 TRP N 1.0 -47.2 34.2 PSI 63 63 A 35 ASP C A 36 TRP N A 36 TRP CA A 36 TRP C 1.0 -179.3 -43.3 PHI 64 64 A 36 TRP N A 36 TRP CA A 36 TRP C A 37 HIS N 1.0 112.2 202.2 PSI 65 65 A 36 TRP C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 -173.0 -93.2 PHI 66 66 A 37 HIS N A 37 HIS CA A 37 HIS C A 38 THR N 1.0 121.8 169.6 PSI 67 67 A 37 HIS C A 38 THR N A 38 THR CA A 38 THR C 1.0 -112.2 -58.0 PHI 68 68 A 38 THR N A 38 THR CA A 38 THR C A 39 THR N 1.0 103.6 143.6 PSI 69 69 A 38 THR C A 39 THR N A 39 THR CA A 39 THR C 1.0 -127.4 -87.4 PHI 70 70 A 39 THR N A 39 THR CA A 39 THR C A 40 GLY N 1.0 -33.1 18.5 PSI 71 71 A 40 GLY C A 41 SER N A 41 SER CA A 41 SER C 1.0 -174.7 -65.1 PHI 72 72 A 41 SER N A 41 SER CA A 41 SER C A 42 ARG N 1.0 104.3 180.3 PSI 73 73 A 41 SER C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -154.3 -71.9 PHI 74 74 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 VAL N 1.0 104.3 162.1 PSI 75 75 A 42 ARG C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -163.1 -87.5 PHI 76 76 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 ASP N 1.0 96.9 152.1 PSI 77 77 A 43 VAL C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -144.4 -72.8 PHI 78 78 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 LEU N 1.0 73.4 152.2 PSI 79 79 A 45 LEU C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -142.5 -82.9 PHI 80 80 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 VAL N 1.0 113.0 173.2 PSI 81 81 A 46 VAL C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -81.7 -36.3 PHI 82 82 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 GLY N 1.0 105.2 165.2 PSI 83 83 A 48 GLY C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 -175.1 -67.3 PHI 84 84 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 ARG N 1.0 82.5 208.9 PSI 85 85 A 49 GLY C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -159.6 -72.8 PHI 86 86 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 PHE N 1.0 122.6 172.0 PSI 87 87 A 50 ARG C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -155.7 -115.7 PHI 88 88 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 CYS N 1.0 117.3 176.1 PSI 89 89 A 51 PHE C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -158.1 -53.1 PHI 90 90 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 HIS N 1.0 104.3 144.3 PSI 91 91 A 52 CYS C A 53 HIS N A 53 HIS CA A 53 HIS C 1.0 -142.9 -96.3 PHI 92 92 A 53 HIS N A 53 HIS CA A 53 HIS C A 54 HIS N 1.0 77.0 178.2 PSI 93 93 A 53 HIS C A 54 HIS N A 54 HIS CA A 54 HIS C 1.0 -140.6 -64.6 PHI 94 94 A 54 HIS N A 54 HIS CA A 54 HIS C A 55 MET N 1.0 89.6 139.6 PSI 95 95 A 54 HIS C A 55 MET N A 55 MET CA A 55 MET C 1.0 -124.1 -84.1 PHI 96 96 A 55 MET N A 55 MET CA A 55 MET C A 56 ALA N 1.0 102.9 162.9 PSI 97 97 A 55 MET C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -173.4 -90.2 PHI 98 98 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 ALA N 1.0 122.9 167.7 PSI 99 99 A 56 ALA C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -115.0 -53.0 PHI 100 100 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 LYS N 1.0 74.1 181.9 PSI 101 101 A 57 ALA C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -95.2 -35.2 PHI 102 102 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 ASP N 1.0 -55.7 4.3 PSI 103 103 A 58 LYS C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -107.7 -67.7 PHI 104 104 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 GLY N 1.0 -25.1 36.5 PSI 105 105 A 60 GLY C A 61 SER N A 61 SER CA A 61 SER C 1.0 -138.8 -34.0 PHI 106 106 A 61 SER N A 61 SER CA A 61 SER C A 62 ALA N 1.0 -47.2 8.0 PSI 107 107 A 63 GLY C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -180.1 -77.1 PHI 108 108 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 ASP N 1.0 117.6 179.6 PSI 109 109 A 64 PHE C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -147.1 -73.1 PHI 110 110 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 PHE N 1.0 94.0 154.0 PSI 111 111 A 65 ASP C A 66 PHE N A 66 PHE CA A 66 PHE C 1.0 -143.8 -66.0 PHI 112 112 A 66 PHE N A 66 PHE CA A 66 PHE C A 67 THR N 1.0 71.6 177.6 PSI 113 113 A 66 PHE C A 67 THR N A 67 THR CA A 67 THR C 1.0 -163.3 -87.7 PHI 114 114 A 67 THR N A 67 THR CA A 67 THR C A 68 GLY N 1.0 102.5 198.3 PSI 115 115 A 67 THR C A 68 GLY N A 68 GLY CA A 68 GLY C 1.0 -209.4 -86.8 PHI 116 116 A 68 GLY N A 68 GLY CA A 68 GLY C A 69 THR N 1.0 116.9 207.7 PSI 117 117 A 68 GLY C A 69 THR N A 69 THR CA A 69 THR C 1.0 -163.1 -52.1 PHI 118 118 A 69 THR N A 69 THR CA A 69 THR C A 70 PHE N 1.0 126.8 166.8 PSI 119 119 A 69 THR C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -105.7 -45.7 PHI 120 120 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 THR N 1.0 105.9 147.7 PSI 121 121 A 70 PHE C A 71 THR N A 71 THR CA A 71 THR C 1.0 -129.6 -82.2 PHI 122 122 A 71 THR N A 71 THR CA A 71 THR C A 72 ARG N 1.0 -45.3 27.9 PSI 123 123 A 71 THR C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -198.1 -82.7 PHI 124 124 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 VAL N 1.0 120.2 160.6 PSI 125 125 A 72 ARG C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -163.5 -81.3 PHI 126 126 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 GLU N 1.0 96.6 154.6 PSI 127 127 A 73 VAL C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -148.0 -86.2 PHI 128 128 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 ALA N 1.0 47.2 204.0 PSI 129 129 A 74 GLU C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -132.2 -24.0 PHI 130 130 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 PRO N 1.0 67.7 196.1 PSI 131 131 A 76 PRO C A 77 THR N A 77 THR CA A 77 THR C 1.0 -150.0 -50.0 PHI 132 132 A 77 THR N A 77 THR CA A 77 THR C A 78 ARG N 1.0 -57.5 29.7 PSI 133 133 A 77 THR C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -170.2 -120.2 PHI 134 134 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 LEU N 1.0 106.7 161.9 PSI 135 135 A 78 ARG C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -157.3 -102.3 PHI 136 136 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 SER N 1.0 112.1 152.1 PSI 137 137 A 79 LEU C A 80 SER N A 80 SER CA A 80 SER C 1.0 -150.0 -86.4 PHI 138 138 A 80 SER N A 80 SER CA A 80 SER C A 81 PHE N 1.0 108.8 158.8 PSI 139 139 A 80 SER C A 81 PHE N A 81 PHE CA A 81 PHE C 1.0 -163.4 -98.8 PHI 140 140 A 81 PHE N A 81 PHE CA A 81 PHE C A 82 VAL N 1.0 125.5 166.3 PSI 141 141 A 81 PHE C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -142.6 -96.6 PHI 142 142 A 82 VAL N A 82 VAL CA A 82 VAL C A 83 MET N 1.0 108.4 159.2 PSI 143 143 A 82 VAL C A 83 MET N A 83 MET CA A 83 MET C 1.0 -130.1 -37.9 PHI 144 144 A 83 MET N A 83 MET CA A 83 MET C A 84 ASP N 1.0 109.1 193.9 PSI 145 145 A 83 MET C A 84 ASP N A 84 ASP CA A 84 ASP C 1.0 -80.2 -40.2 PHI 146 146 A 84 ASP N A 84 ASP CA A 84 ASP C A 85 ASP N 1.0 -48.5 -8.5 PSI 147 147 A 84 ASP C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -104.8 -64.8 PHI 148 148 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 GLY N 1.0 -20.7 21.3 PSI 149 149 A 85 ASP C A 86 GLY N A 86 GLY CA A 86 GLY C 1.0 72.0 112.0 PHI 150 150 A 86 GLY N A 86 GLY CA A 86 GLY C A 87 ARG N 1.0 -27.1 12.9 PSI 151 151 A 86 GLY C A 87 ARG N A 87 ARG CA A 87 ARG C 1.0 -143.8 -3.8 PHI 152 152 A 87 ARG N A 87 ARG CA A 87 ARG C A 88 GLU N 1.0 109.4 181.8 PSI 153 153 A 87 ARG C A 88 GLU N A 88 GLU CA A 88 GLU C 1.0 -141.6 -64.8 PHI 154 154 A 88 GLU N A 88 GLU CA A 88 GLU C A 89 VAL N 1.0 106.5 178.3 PSI 155 155 A 88 GLU C A 89 VAL N A 89 VAL CA A 89 VAL C 1.0 -153.9 -84.3 PHI 156 156 A 89 VAL N A 89 VAL CA A 89 VAL C A 90 ASP N 1.0 100.8 161.4 PSI 157 157 A 89 VAL C A 90 ASP N A 90 ASP CA A 90 ASP C 1.0 -165.4 -84.8 PHI 158 158 A 90 ASP N A 90 ASP CA A 90 ASP C A 91 VAL N 1.0 109.0 149.0 PSI 159 159 A 90 ASP C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -140.6 -90.6 PHI 160 160 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 GLN N 1.0 107.1 147.1 PSI 161 161 A 91 VAL C A 92 GLN N A 92 GLN CA A 92 GLN C 1.0 -161.9 -103.1 PHI 162 162 A 92 GLN N A 92 GLN CA A 92 GLN C A 93 PHE N 1.0 108.8 183.4 PSI 163 163 A 92 GLN C A 93 PHE N A 93 PHE CA A 93 PHE C 1.0 -146.9 -106.9 PHI 164 164 A 93 PHE N A 93 PHE CA A 93 PHE C A 94 ALA N 1.0 86.7 183.1 PSI 165 165 A 94 ALA C A 95 SER N A 95 SER CA A 95 SER C 1.0 -158.1 -21.5 PHI 166 166 A 95 SER N A 95 SER CA A 95 SER C A 96 GLU N 1.0 79.2 201.2 PSI 167 167 A 95 SER C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -141.1 -40.7 PHI 168 168 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 PRO N 1.0 71.9 193.7 PSI 169 169 A 99 GLY C A 100 THR N A 100 THR CA A 100 THR C 1.0 -147.5 -88.1 PHI 170 170 A 100 THR N A 100 THR CA A 100 THR C A 101 TRP N 1.0 109.2 149.2 PSI 171 171 A 100 THR C A 101 TRP N A 101 TRP CA A 101 TRP C 1.0 -144.4 -83.4 PHI 172 172 A 101 TRP N A 101 TRP CA A 101 TRP C A 102 VAL N 1.0 95.6 152.6 PSI 173 173 A 101 TRP C A 102 VAL N A 102 VAL CA A 102 VAL C 1.0 -137.5 -90.7 PHI 174 174 A 102 VAL N A 102 VAL CA A 102 VAL C A 103 GLN N 1.0 89.5 180.5 PSI 175 175 A 102 VAL C A 103 GLN N A 103 GLN CA A 103 GLN C 1.0 -147.7 -105.1 PHI 176 176 A 103 GLN N A 103 GLN CA A 103 GLN C A 104 GLU N 1.0 108.1 168.3 PSI 177 177 A 103 GLN C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -149.1 -89.3 PHI 178 178 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 THR N 1.0 103.3 144.5 PSI 179 179 A 104 GLU C A 105 THR N A 105 THR CA A 105 THR C 1.0 -136.6 -93.0 PHI 180 180 A 105 THR N A 105 THR CA A 105 THR C A 106 PHE N 1.0 109.7 149.7 PSI 181 181 A 105 THR C A 106 PHE N A 106 PHE CA A 106 PHE C 1.0 -165.1 -106.7 PHI 182 182 A 106 PHE N A 106 PHE CA A 106 PHE C A 107 ASP N 1.0 111.8 188.6 PSI 183 183 A 106 PHE C A 107 ASP N A 107 ASP CA A 107 ASP C 1.0 -153.3 -34.1 PHI 184 184 A 107 ASP N A 107 ASP CA A 107 ASP C A 108 ALA N 1.0 102.3 176.5 PSI 185 185 A 107 ASP C A 108 ALA N A 108 ALA CA A 108 ALA C 1.0 -153.9 -13.9 PHI 186 186 A 108 ALA N A 108 ALA CA A 108 ALA C A 109 GLU N 1.0 68.9 208.9 PSI 187 187 A 108 ALA C A 109 GLU N A 109 GLU CA A 109 GLU C 1.0 -134.7 -42.9 PHI 188 188 A 109 GLU N A 109 GLU CA A 109 GLU C A 110 THR N 1.0 75.6 215.6 PSI 189 189 A 109 GLU C A 110 THR N A 110 THR CA A 110 THR C 1.0 -123.6 -34.8 PHI 190 190 A 110 THR N A 110 THR CA A 110 THR C A 111 SER N 1.0 -32.8 23.8 PSI 191 191 A 110 THR C A 111 SER N A 111 SER CA A 111 SER C 1.0 -104.7 -49.9 PHI 192 192 A 111 SER N A 111 SER CA A 111 SER C A 112 HIS N 1.0 -62.0 21.2 PSI 193 193 A 111 SER C A 112 HIS N A 112 HIS CA A 112 HIS C 1.0 -183.6 -43.6 PHI 194 194 A 112 HIS N A 112 HIS CA A 112 HIS C A 113 THR N 1.0 105.3 188.9 PSI 195 195 A 112 HIS C A 113 THR N A 113 THR CA A 113 THR C 1.0 -138.1 -29.9 PHI 196 196 A 113 THR N A 113 THR CA A 113 THR C A 114 PRO N 1.0 85.8 208.8 PSI 197 197 A 113 THR C A 114 PRO N A 114 PRO CA A 114 PRO C 1.0 -71.5 -31.5 PHI 198 198 A 114 PRO N A 114 PRO CA A 114 PRO C A 115 ALA N 1.0 -57.1 -17.1 PSI 199 199 A 114 PRO C A 115 ALA N A 115 ALA CA A 115 ALA C 1.0 -83.1 -43.1 PHI 200 200 A 115 ALA N A 115 ALA CA A 115 ALA C A 116 GLN N 1.0 -59.0 -19.0 PSI 201 201 A 115 ALA C A 116 GLN N A 116 GLN CA A 116 GLN C 1.0 -85.9 -45.9 PHI 202 202 A 116 GLN N A 116 GLN CA A 116 GLN C A 117 GLN N 1.0 -62.7 -22.7 PSI 203 203 A 116 GLN C A 117 GLN N A 117 GLN CA A 117 GLN C 1.0 -85.4 -45.4 PHI 204 204 A 117 GLN N A 117 GLN CA A 117 GLN C A 118 GLN N 1.0 -60.7 -20.7 PSI 205 205 A 117 GLN C A 118 GLN N A 118 GLN CA A 118 GLN C 1.0 -78.2 -38.2 PHI 206 206 A 118 GLN N A 118 GLN CA A 118 GLN C A 119 ALA N 1.0 -64.6 -24.6 PSI 207 207 A 118 GLN C A 119 ALA N A 119 ALA CA A 119 ALA C 1.0 -82.6 -42.6 PHI 208 208 A 119 ALA N A 119 ALA CA A 119 ALA C A 120 GLY N 1.0 -58.9 -18.9 PSI 209 209 A 119 ALA C A 120 GLY N A 120 GLY CA A 120 GLY C 1.0 -85.4 -45.4 PHI 210 210 A 120 GLY N A 120 GLY CA A 120 GLY C A 121 TRP N 1.0 -61.3 -21.3 PSI 211 211 A 120 GLY C A 121 TRP N A 121 TRP CA A 121 TRP C 1.0 -85.4 -45.4 PHI 212 212 A 121 TRP N A 121 TRP CA A 121 TRP C A 122 GLN N 1.0 -61.2 -21.2 PSI 213 213 A 121 TRP C A 122 GLN N A 122 GLN CA A 122 GLN C 1.0 -83.5 -43.5 PHI 214 214 A 122 GLN N A 122 GLN CA A 122 GLN C A 123 GLY N 1.0 -58.3 -18.3 PSI 215 215 A 122 GLN C A 123 GLY N A 123 GLY CA A 123 GLY C 1.0 -86.0 -46.0 PHI 216 216 A 123 GLY N A 123 GLY CA A 123 GLY C A 124 ILE N 1.0 -57.4 -17.4 PSI 217 217 A 123 GLY C A 124 ILE N A 124 ILE CA A 124 ILE C 1.0 -86.3 -46.3 PHI 218 218 A 124 ILE N A 124 ILE CA A 124 ILE C A 125 LEU N 1.0 -61.4 -21.4 PSI 219 219 A 124 ILE C A 125 LEU N A 125 LEU CA A 125 LEU C 1.0 -82.4 -42.4 PHI 220 220 A 125 LEU N A 125 LEU CA A 125 LEU C A 126 ASP N 1.0 -58.8 -18.8 PSI 221 221 A 125 LEU C A 126 ASP N A 126 ASP CA A 126 ASP C 1.0 -86.7 -46.7 PHI 222 222 A 126 ASP N A 126 ASP CA A 126 ASP C A 127 ASN N 1.0 -55.2 -15.2 PSI 223 223 A 126 ASP C A 127 ASN N A 127 ASN CA A 127 ASN C 1.0 -85.2 -45.2 PHI 224 224 A 127 ASN N A 127 ASN CA A 127 ASN C A 128 PHE N 1.0 -58.6 -18.6 PSI 225 225 A 127 ASN C A 128 PHE N A 128 PHE CA A 128 PHE C 1.0 -82.2 -42.2 PHI 226 226 A 128 PHE N A 128 PHE CA A 128 PHE C A 129 LYS N 1.0 -62.7 -22.7 PSI 227 227 A 128 PHE C A 129 LYS N A 129 LYS CA A 129 LYS C 1.0 -79.6 -39.6 PHI 228 228 A 129 LYS N A 129 LYS CA A 129 LYS C A 130 ARG N 1.0 -68.1 -28.1 PSI 229 229 A 129 LYS C A 130 ARG N A 130 ARG CA A 130 ARG C 1.0 -82.6 -42.6 PHI 230 230 A 130 ARG N A 130 ARG CA A 130 ARG C A 131 TYR N 1.0 -58.8 -18.8 PSI 231 231 A 130 ARG C A 131 TYR N A 131 TYR CA A 131 TYR C 1.0 -86.4 -46.4 PHI 232 232 A 131 TYR N A 131 TYR CA A 131 TYR C A 132 VAL N 1.0 -65.0 -25.0 PSI 233 233 A 131 TYR C A 132 VAL N A 132 VAL CA A 132 VAL C 1.0 -84.5 -44.5 PHI 234 234 A 132 VAL N A 132 VAL CA A 132 VAL C A 133 GLU N 1.0 -59.9 -19.9 PSI 235 235 A 132 VAL C A 133 GLU N A 133 GLU CA A 133 GLU C 1.0 -85.6 -45.6 PHI 236 236 A 133 GLU N A 133 GLU CA A 133 GLU C A 134 ALA N 1.0 -72.7 9.1 PSI 237 237 A 133 GLU C A 134 ALA N A 134 ALA CA A 134 ALA C 1.0 -91.2 -46.6 PHI 238 238 A 134 ALA N A 134 ALA CA A 134 ALA C A 135 ALA N 1.0 -65.2 1.4 PSI 239 239 A 134 ALA C A 135 ALA N A 135 ALA CA A 135 ALA C 1.0 -92.0 -36.6 PHI 240 240 A 135 ALA N A 135 ALA CA A 135 ALA C A 136 GLY N 1.0 -59.1 -11.3 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 LYS N A 2 LYS H 1.0 . . . 2 2 A 4 SER N A 4 SER H 1.0 . . . 3 3 A 6 GLU N A 6 GLU H 1.0 . . . 4 4 A 7 ALA N A 7 ALA H 1.0 . . . 5 5 A 8 HIS N A 8 HIS H 1.0 . . . 6 6 A 10 GLU N A 10 GLU H 1.0 . . . 7 7 A 11 GLN N A 11 GLN H 1.0 . . . 8 8 A 12 GLU N A 12 GLU H 1.0 . . . 9 9 A 14 GLU N A 14 GLU H 1.0 . . . 10 10 A 15 ALA N A 15 ALA H 1.0 . . . 11 11 A 16 VAL N A 16 VAL H 1.0 . . . 12 12 A 17 TRP N A 17 TRP H 1.0 . . . 13 13 A 19 ALA N A 19 ALA H 1.0 . . . 14 14 A 21 ASN N A 21 ASN H 1.0 . . . 15 15 A 22 ASP N A 22 ASP H 1.0 . . . 16 16 A 25 CYS N A 25 CYS H 1.0 . . . 17 17 A 26 ILE N A 26 ILE H 1.0 . . . 18 18 A 27 ALA N A 27 ALA H 1.0 . . . 19 19 A 28 ARG N A 28 ARG H 1.0 . . . 20 20 A 29 TRP N A 29 TRP H 1.0 . . . 21 21 A 33 SER N A 33 SER H 1.0 . . . 22 22 A 36 TRP N A 36 TRP H 1.0 . . . 23 23 A 39 THR N A 39 THR H 1.0 . . . 24 24 A 40 GLY N A 40 GLY H 1.0 . . . 25 25 A 41 SER N A 41 SER H 1.0 . . . 26 26 A 44 ASP N A 44 ASP H 1.0 . . . 27 27 A 49 GLY N A 49 GLY H 1.0 . . . 28 28 A 50 ARG N A 50 ARG H 1.0 . . . 29 29 A 51 PHE N A 51 PHE H 1.0 . . . 30 30 A 52 CYS N A 52 CYS H 1.0 . . . 31 31 A 53 HIS N A 53 HIS H 1.0 . . . 32 32 A 54 HIS N A 54 HIS H 1.0 . . . 33 33 A 55 MET N A 55 MET H 1.0 . . . 34 34 A 56 ALA N A 56 ALA H 1.0 . . . 35 35 A 59 ASP N A 59 ASP H 1.0 . . . 36 36 A 61 SER N A 61 SER H 1.0 . . . 37 37 A 63 GLY N A 63 GLY H 1.0 . . . 38 38 A 66 PHE N A 66 PHE H 1.0 . . . 39 39 A 69 THR N A 69 THR H 1.0 . . . 40 40 A 70 PHE N A 70 PHE H 1.0 . . . 41 41 A 71 THR N A 71 THR H 1.0 . . . 42 42 A 72 ARG N A 72 ARG H 1.0 . . . 43 43 A 73 VAL N A 73 VAL H 1.0 . . . 44 44 A 74 GLU N A 74 GLU H 1.0 . . . 45 45 A 75 ALA N A 75 ALA H 1.0 . . . 46 46 A 77 THR N A 77 THR H 1.0 . . . 47 47 A 79 LEU N A 79 LEU H 1.0 . . . 48 48 A 80 SER N A 80 SER H 1.0 . . . 49 49 A 81 PHE N A 81 PHE H 1.0 . . . 50 50 A 82 VAL N A 82 VAL H 1.0 . . . 51 51 A 83 MET N A 83 MET H 1.0 . . . 52 52 A 85 ASP N A 85 ASP H 1.0 . . . 53 53 A 86 GLY N A 86 GLY H 1.0 . . . 54 54 A 87 ARG N A 87 ARG H 1.0 . . . 55 55 A 88 GLU N A 88 GLU H 1.0 . . . 56 56 A 90 ASP N A 90 ASP H 1.0 . . . 57 57 A 91 VAL N A 91 VAL H 1.0 . . . 58 58 A 93 PHE N A 93 PHE H 1.0 . . . 59 59 A 94 ALA N A 94 ALA H 1.0 . . . 60 60 A 95 SER N A 95 SER H 1.0 . . . 61 61 A 96 GLU N A 96 GLU H 1.0 . . . 62 62 A 98 GLY N A 98 GLY H 1.0 . . . 63 63 A 99 GLY N A 99 GLY H 1.0 . . . 64 64 A 101 TRP N A 101 TRP H 1.0 . . . 65 65 A 102 VAL N A 102 VAL H 1.0 . . . 66 66 A 103 GLN N A 103 GLN H 1.0 . . . 67 67 A 105 THR N A 105 THR H 1.0 . . . 68 68 A 106 PHE N A 106 PHE H 1.0 . . . 69 69 A 107 ASP N A 107 ASP H 1.0 . . . 70 70 A 108 ALA N A 108 ALA H 1.0 . . . 71 71 A 109 GLU N A 109 GLU H 1.0 . . . 72 72 A 110 THR N A 110 THR H 1.0 . . . 73 73 A 111 SER N A 111 SER H 1.0 . . . 74 74 A 112 HIS N A 112 HIS H 1.0 . . . 75 75 A 113 THR N A 113 THR H 1.0 . . . 76 76 A 115 ALA N A 115 ALA H 1.0 . . . 77 77 A 116 GLN N A 116 GLN H 1.0 . . . 78 78 A 117 GLN N A 117 GLN H 1.0 . . . 79 79 A 118 GLN N A 118 GLN H 1.0 . . . 80 80 A 120 GLY N A 120 GLY H 1.0 . . . 81 81 A 122 GLN N A 122 GLN H 1.0 . . . 82 82 A 123 GLY N A 123 GLY H 1.0 . . . 83 83 A 124 ILE N A 124 ILE H 1.0 . . . 84 84 A 125 LEU N A 125 LEU H 1.0 . . . 85 85 A 126 ASP N A 126 ASP H 1.0 . . . 86 86 A 127 ASN N A 127 ASN H 1.0 . . . 87 87 A 129 LYS N A 129 LYS H 1.0 . . . 88 88 A 130 ARG N A 130 ARG H 1.0 . . . 89 89 A 131 TYR N A 131 TYR H 1.0 . . . 90 90 A 132 VAL N A 132 VAL H 1.0 . . . 91 91 A 134 ALA N A 134 ALA H 1.0 . . . 92 92 A 135 ALA N A 135 ALA H 1.0 . . . stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2377.556 2 1H 10626.993 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 13681.1 2 1H 10626.3 3 1H 12755.102 stop_ save_ save_Cnoesy_arom.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_arom.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 6414.368 2 1H 10626.993 3 1H 12755.102 stop_ save_ save_4D_ccnoesy_d2o.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4D_ccnoesy_d2o.list _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3121.3 2 13C 3121.3 3 1H 4197.272 4 1H 8000.000 stop_ save_