data_nef_c15562_2jxn 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 1eij PDB 2cru PDB 2fh0 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 7 CYS SG 2 1 MTN S1 1 11 CYS SG 2 2 MTN S1 stop_ 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 ASP middle . . 3 A 3 PRO middle . false 4 A 4 GLU middle . . 5 A 5 LEU middle . . 6 A 6 GLN middle . . 7 A 7 CYS middle -HG . 8 A 8 ILE middle . . 9 A 9 ARG middle . . 10 A 10 GLU middle . . 11 A 11 CYS middle -HG . 12 A 12 ARG middle . . 13 A 13 LEU middle . . 14 A 14 ALA middle . . 15 A 15 GLN middle . . 16 A 16 LEU middle . . 17 A 17 LYS middle . . 18 A 18 ASN middle . . 19 A 19 ASN middle . . 20 A 20 SER middle . . 21 A 21 GLY middle . false 22 A 22 GLY middle . false 23 A 23 THR middle . . 24 A 24 ASN middle . . 25 A 25 GLY middle . false 26 A 26 ASP middle . . 27 A 27 ARG middle . . 28 A 28 ASN middle . . 29 A 29 SER middle . . 30 A 30 GLY middle . false 31 A 31 ALA middle . . 32 A 32 ASN middle . . 33 A 33 ASN middle . . 34 A 34 GLY middle . false 35 A 35 GLY middle . false 36 A 36 GLY middle . false 37 A 37 GLU middle . . 38 A 38 ASN middle . . 39 A 39 SER middle . . 40 A 40 ALA middle . . 41 A 41 PRO middle . false 42 A 42 VAL middle . . 43 A 43 GLY middle . false 44 A 44 ALA middle . . 45 A 45 ALA middle . . 46 A 46 ILE middle . . 47 A 47 ALA middle . . 48 A 48 ASN middle . . 49 A 49 PHE middle . . 50 A 50 LEU middle . . 51 A 51 GLU middle . . 52 A 52 PRO middle . false 53 A 53 GLN middle . . 54 A 54 ALA middle . . 55 A 55 LEU middle . . 56 A 56 GLU middle . . 57 A 57 ARG middle . . 58 A 58 LEU middle . . 59 A 59 SER middle . . 60 A 60 ARG middle . . 61 A 61 VAL middle . . 62 A 62 ALA middle . . 63 A 63 LEU middle . . 64 A 64 VAL middle . . 65 A 65 ARG middle . . 66 A 66 ARG middle . . 67 A 67 ASP middle . . 68 A 68 ARG middle . . 69 A 69 ALA middle . . 70 A 70 GLN middle . . 71 A 71 ALA middle . . 72 A 72 VAL middle . . 73 A 73 GLU middle . . 74 A 74 THR middle . . 75 A 75 TYR middle . . 76 A 76 LEU middle . . 77 A 77 LYS middle . . 78 A 78 LYS middle . . 79 A 79 LEU middle . . 80 A 80 ILE middle . . 81 A 81 ALA middle . . 82 A 82 THR middle . . 83 A 83 ASN middle . . 84 A 84 ASN middle . . 85 A 85 VAL middle . . 86 A 86 THR middle . . 87 A 87 HIS middle . . 88 A 88 LYS middle . . 89 A 89 ILE middle . . 90 A 90 THR middle . . 91 A 91 GLU middle . . 92 A 92 ALA middle . . 93 A 93 GLU middle . . 94 A 94 ILE middle . . 95 A 95 VAL middle . . 96 A 96 SER middle . . 97 A 97 ILE middle . . 98 A 98 LEU middle . . 99 A 99 ASN middle . . 100 A 100 GLY middle . false 101 A 101 ILE middle . . 102 A 102 ALA middle . . 103 A 103 LYS middle . . 104 A 104 GLN middle . . 105 A 105 GLN middle . . 106 A 106 ASN middle . . 107 A 107 SER middle . . 108 A 108 GLN middle . . 109 A 109 ASN middle . . 110 A 110 ASN middle . . 111 A 111 SER middle . . 112 A 112 LYS middle . . 113 A 113 ILE middle . . 114 A 114 ILE middle . . 115 A 115 PHE middle . . 116 A 116 GLU middle . . 117 A 117 ALA middle . . 118 A 118 ALA middle . . 119 A 119 ALA middle . . 120 A 120 LEU middle . . 121 A 121 GLU middle . . 122 A 122 HIS middle . . 123 A 123 HIS middle . . 124 A 124 HIS middle . . 125 A 125 HIS middle . . 126 A 126 HIS middle . . 127 A 127 HIS end . . 128 B 1 MTN . . . 129 B 2 MTN . . . 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 4.04 0.02 A 1 MET HBx H 1 2.08 0.02 A 1 MET HGy H 1 2.55 0.02 A 1 MET HGx H 1 2.51 0.02 A 1 MET C C 13 171.91 0.2 A 1 MET CA C 13 54.71 0.1 A 1 MET CB C 13 32.99 0.1 A 1 MET CG C 13 30.74 0.1 A 2 ASP H H 1 8.76 0.02 A 2 ASP HA H 1 4.88 0.02 A 2 ASP HBy H 1 2.75 0.02 A 2 ASP HBx H 1 2.55 0.02 A 2 ASP C C 13 174.48 0.2 A 2 ASP CA C 13 52.73 0.1 A 2 ASP CB C 13 41.11 0.1 A 2 ASP N N 15 126.02 0.1 A 3 PRO HA H 1 4.32 0.02 A 3 PRO HBy H 1 2.29 0.02 A 3 PRO HBx H 1 1.92 0.02 A 3 PRO HDy H 1 3.89 0.02 A 3 PRO HDx H 1 3.81 0.02 A 3 PRO HGx H 1 2.02 0.02 A 3 PRO C C 13 178.07 0.2 A 3 PRO CA C 13 63.93 0.1 A 3 PRO CB C 13 32.17 0.1 A 3 PRO CD C 13 50.91 0.1 A 3 PRO CG C 13 27.31 0.1 A 4 GLU H H 1 8.53 0.02 A 4 GLU HA H 1 4.15 0.02 A 4 GLU HBx H 1 1.98 0.02 A 4 GLU HGy H 1 2.26 0.02 A 4 GLU HGx H 1 2.2 0.02 A 4 GLU C C 13 177.68 0.2 A 4 GLU CA C 13 57.87 0.1 A 4 GLU CB C 13 29.64 0.1 A 4 GLU CG C 13 36.5 0.1 A 4 GLU N N 15 119.97 0.1 A 5 LEU H H 1 7.84 0.02 A 5 LEU HA H 1 4.17 0.02 A 5 LEU HBx H 1 1.63 0.02 A 5 LEU HD1% H 1 0.91 0.02 A 5 LEU HD2% H 1 0.85 0.02 A 5 LEU HG H 1 1.61 0.02 A 5 LEU C C 13 178.73 0.2 A 5 LEU CA C 13 56.37 0.1 A 5 LEU CB C 13 41.88 0.1 A 5 LEU CD1 C 13 24.73 0.1 A 5 LEU CD2 C 13 23.27 0.1 A 5 LEU CG C 13 27.06 0.1 A 5 LEU N N 15 121.44 0.1 A 6 GLN H H 1 8.25 0.02 A 6 GLN HA H 1 4 0.02 A 6 GLN HBx H 1 2.02 0.02 A 6 GLN HE2x H 1 7.61 0.02 A 6 GLN HGx H 1 2.32 0.02 A 6 GLN C C 13 177 0.2 A 6 GLN CA C 13 58.22 0.1 A 6 GLN CB C 13 28.38 0.1 A 6 GLN CG C 13 33.2 0.1 A 6 GLN N N 15 120.54 0.1 A 6 GLN NE2 N 15 112.45 0.1 A 7 ALA H H 1 8 0.02 A 7 ALA HA H 1 4.15 0.02 A 7 ALA HB% H 1 1.41 0.02 A 7 ALA C C 13 179.97 0.2 A 7 ALA CA C 13 54.32 0.1 A 7 ALA CB C 13 18.75 0.1 A 7 ALA N N 15 121.66 0.1 A 8 ILE H H 1 7.68 0.02 A 8 ILE HA H 1 3.85 0.02 A 8 ILE HB H 1 1.91 0.02 A 8 ILE HD1% H 1 0.81 0.02 A 8 ILE HG1y H 1 1.6 0.02 A 8 ILE HG1x H 1 1.16 0.02 A 8 ILE HG2% H 1 0.88 0.02 A 8 ILE C C 13 177.74 0.2 A 8 ILE CA C 13 63.52 0.1 A 8 ILE CB C 13 38.11 0.1 A 8 ILE CD1 C 13 13.56 0.1 A 8 ILE CG1 C 13 28.41 0.1 A 8 ILE CG2 C 13 17.9 0.1 A 8 ILE N N 15 119.61 0.1 A 9 ARG H H 1 8.05 0.02 A 9 ARG HA H 1 4.03 0.02 A 9 ARG HBx H 1 1.85 0.02 A 9 ARG HDx H 1 3.14 0.02 A 9 ARG HGy H 1 1.66 0.02 A 9 ARG HGx H 1 1.52 0.02 A 9 ARG C C 13 178.21 0.2 A 9 ARG CA C 13 58.65 0.1 A 9 ARG CB C 13 30.05 0.1 A 9 ARG CD C 13 43.65 0.1 A 9 ARG CG C 13 27.42 0.1 A 9 ARG N N 15 122.36 0.1 A 10 GLU H H 1 8.36 0.02 A 10 GLU HA H 1 3.99 0.02 A 10 GLU HBx H 1 1.99 0.02 A 10 GLU HGy H 1 2.37 0.02 A 10 GLU HGx H 1 2.24 0.02 A 10 GLU C C 13 178.26 0.2 A 10 GLU CA C 13 58.58 0.1 A 10 GLU CB C 13 29.53 0.1 A 10 GLU CG C 13 36.51 0.1 A 10 GLU N N 15 119.21 0.1 A 11 ALA H H 1 7.97 0.02 A 11 ALA HA H 1 4.18 0.02 A 11 ALA HB% H 1 1.42 0.02 A 11 ALA C C 13 179.45 0.2 A 11 ALA CA C 13 54.18 0.1 A 11 ALA CB C 13 18.59 0.1 A 11 ALA N N 15 123.07 0.1 A 12 ARG H H 1 8.03 0.02 A 12 ARG HA H 1 4.12 0.02 A 12 ARG HBx H 1 1.85 0.02 A 12 ARG HDx H 1 3.15 0.02 A 12 ARG HGx H 1 1.67 0.02 A 12 ARG C C 13 178.11 0.2 A 12 ARG CA C 13 58.1 0.1 A 12 ARG CB C 13 30.1 0.1 A 12 ARG CD C 13 43.25 0.1 A 12 ARG CG C 13 26.98 0.1 A 12 ARG N N 15 118.95 0.1 A 13 LEU H H 1 7.97 0.02 A 13 LEU HA H 1 4.11 0.02 A 13 LEU HBy H 1 1.73 0.02 A 13 LEU HBx H 1 1.52 0.02 A 13 LEU HD1% H 1 0.86 0.02 A 13 LEU HD2% H 1 0.82 0.02 A 13 LEU HG H 1 1.67 0.02 A 13 LEU C C 13 178.6 0.2 A 13 LEU CA C 13 56.83 0.1 A 13 LEU CB C 13 41.73 0.1 A 13 LEU CD1 C 13 24.94 0.1 A 13 LEU CD2 C 13 23 0.1 A 13 LEU CG C 13 26.86 0.1 A 13 LEU N N 15 120.4 0.1 A 14 ALA H H 1 7.92 0.02 A 14 ALA HA H 1 4.13 0.02 A 14 ALA HB% H 1 1.4 0.02 A 14 ALA C C 13 178.83 0.2 A 14 ALA CA C 13 53.97 0.1 A 14 ALA CB C 13 18.8 0.1 A 14 ALA N N 15 122.16 0.1 A 15 GLN H H 1 7.85 0.02 A 15 GLN HA H 1 4.16 0.02 A 15 GLN HBx H 1 2.06 0.02 A 15 GLN HE2y H 1 6.81 0.02 A 15 GLN HGx H 1 2.4 0.02 A 15 GLN C C 13 176.95 0.2 A 15 GLN CA C 13 57.01 0.1 A 15 GLN CB C 13 28.79 0.1 A 15 GLN CG C 13 33.88 0.1 A 15 GLN N N 15 117.54 0.1 A 15 GLN NE2 N 15 111.78 0.1 A 16 LEU H H 1 7.86 0.02 A 16 LEU HA H 1 4.19 0.02 A 16 LEU HBy H 1 1.7 0.02 A 16 LEU HBx H 1 1.55 0.02 A 16 LEU HD1% H 1 0.86 0.02 A 16 LEU HD2% H 1 0.82 0.02 A 16 LEU HG H 1 1.56 0.02 A 16 LEU C C 13 177.92 0.2 A 16 LEU CA C 13 56.03 0.1 A 16 LEU CB C 13 42 0.1 A 16 LEU CD1 C 13 24.95 0.1 A 16 LEU CD2 C 13 23.19 0.1 A 16 LEU CG C 13 27.13 0.1 A 16 LEU N N 15 121.06 0.1 A 17 LYS H H 1 7.97 0.02 A 17 LYS HA H 1 4.19 0.02 A 17 LYS HBx H 1 1.78 0.02 A 17 LYS HDx H 1 1.62 0.02 A 17 LYS HEx H 1 2.92 0.02 A 17 LYS HGx H 1 1.38 0.02 A 17 LYS C C 13 176.7 0.2 A 17 LYS CA C 13 56.99 0.1 A 17 LYS CB C 13 32.73 0.1 A 17 LYS CD C 13 28.99 0.1 A 17 LYS CE C 13 41.85 0.1 A 17 LYS CG C 13 24.72 0.1 A 17 LYS N N 15 120.14 0.1 A 18 ASN H H 1 8.2 0.02 A 18 ASN HA H 1 4.22 0.02 A 18 ASN C C 13 175.23 0.2 A 18 ASN CA C 13 53.5 0.1 A 18 ASN CB C 13 38.85 0.1 A 18 ASN N N 15 118.67 0.1 A 19 ASN H H 1 8.2 0.02 A 19 ASN HA H 1 4.43 0.02 A 19 ASN C C 13 174.5 0.2 A 19 ASN CA C 13 53.45 0.1 A 19 ASN CB C 13 38.94 0.1 A 19 ASN N N 15 115.9 0.1 A 20 SER H H 1 8.12 0.02 A 20 SER HA H 1 4.4 0.02 A 20 SER HBx H 1 3.86 0.02 A 20 SER CA C 13 59.03 0.1 A 20 SER CB C 13 63.81 0.1 A 20 SER N N 15 115.86 0.1 A 21 GLY H H 1 8.41 0.02 A 21 GLY HAx H 1 3.95 0.02 A 21 GLY C C 13 174.65 0.2 A 21 GLY CA C 13 45.49 0.1 A 21 GLY N N 15 110.58 0.1 A 22 GLY H H 1 8.22 0.02 A 22 GLY HAx H 1 3.98 0.02 A 22 GLY C C 13 174.55 0.2 A 22 GLY CA C 13 45.13 0.1 A 22 GLY N N 15 108.66 0.1 A 23 THR H H 1 8.16 0.02 A 23 THR HA H 1 4.33 0.02 A 23 THR HB H 1 4.22 0.02 A 23 THR HG2% H 1 1.13 0.02 A 23 THR C C 13 174.6 0.2 A 23 THR CA C 13 61.96 0.1 A 23 THR CB C 13 69.85 0.1 A 23 THR CG2 C 13 21.4 0.1 A 23 THR N N 15 113.49 0.1 A 24 ASN H H 1 8.52 0.02 A 24 ASN HA H 1 4.67 0.02 A 24 ASN HBx H 1 2.78 0.02 A 24 ASN C C 13 175.69 0.2 A 24 ASN CA C 13 53.63 0.1 A 24 ASN CB C 13 38.83 0.1 A 24 ASN N N 15 120.66 0.1 A 25 GLY H H 1 8.3 0.02 A 25 GLY HAx H 1 3.88 0.02 A 25 GLY C C 13 173.9 0.2 A 25 GLY CA C 13 45.65 0.1 A 25 GLY N N 15 109.19 0.1 A 26 ASP H H 1 8.16 0.02 A 26 ASP HA H 1 4.54 0.02 A 26 ASP HBy H 1 2.65 0.02 A 26 ASP HBx H 1 2.61 0.02 A 26 ASP C C 13 176.65 0.2 A 26 ASP CA C 13 54.34 0.1 A 26 ASP CB C 13 41.09 0.1 A 26 ASP N N 15 120.27 0.1 A 27 ARG H H 1 8.29 0.02 A 27 ARG HA H 1 4.24 0.02 A 27 ARG HBy H 1 1.82 0.02 A 27 ARG HBx H 1 1.73 0.02 A 27 ARG HDx H 1 3.14 0.02 A 27 ARG HGx H 1 1.57 0.02 A 27 ARG C C 13 176.34 0.2 A 27 ARG CA C 13 56.64 0.1 A 27 ARG CB C 13 30.28 0.1 A 27 ARG CD C 13 43.23 0.1 A 27 ARG CG C 13 26.94 0.1 A 27 ARG N N 15 121.34 0.1 A 28 ASN H H 1 8.44 0.02 A 28 ASN HA H 1 4.72 0.02 A 28 ASN HBy H 1 2.82 0.02 A 28 ASN HBx H 1 2.75 0.02 A 28 ASN C C 13 175.45 0.2 A 28 ASN CA C 13 53.44 0.1 A 28 ASN CB C 13 38.98 0.1 A 28 ASN N N 15 119.1 0.1 A 29 SER H H 1 8.27 0.02 A 29 SER HA H 1 4.36 0.02 A 29 SER HBx H 1 3.82 0.02 A 29 SER C C 13 175.09 0.2 A 29 SER CA C 13 59 0.1 A 29 SER CB C 13 63.81 0.1 A 29 SER N N 15 116.04 0.1 A 30 GLY H H 1 8.41 0.02 A 30 GLY HAx H 1 3.91 0.02 A 30 GLY C C 13 174 0.2 A 30 GLY CA C 13 45.52 0.1 A 30 GLY N N 15 110.73 0.1 A 31 ALA H H 1 8.05 0.02 A 31 ALA HA H 1 4.23 0.02 A 31 ALA HB% H 1 1.31 0.02 A 31 ALA C C 13 177.6 0.2 A 31 ALA CA C 13 52.65 0.1 A 31 ALA CB C 13 19.23 0.1 A 31 ALA N N 15 123.41 0.1 A 32 ASN H H 1 8.4 0.02 A 32 ASN HA H 1 4.64 0.02 A 32 ASN HBy H 1 2.81 0.02 A 32 ASN HBx H 1 2.71 0.02 A 32 ASN C C 13 175.12 0.2 A 32 ASN CA C 13 53.21 0.1 A 32 ASN CB C 13 38.86 0.1 A 32 ASN N N 15 117.47 0.1 A 33 ASN H H 1 8.34 0.02 A 33 ASN HA H 1 4.68 0.02 A 33 ASN HBx H 1 2.77 0.02 A 33 ASN C C 13 175.8 0.2 A 33 ASN CA C 13 53.45 0.1 A 33 ASN CB C 13 38.8 0.1 A 33 ASN N N 15 119.15 0.1 A 34 GLY H H 1 8.38 0.02 A 34 GLY HAx H 1 3.93 0.02 A 34 GLY C C 13 174.77 0.2 A 34 GLY CA C 13 45.51 0.1 A 34 GLY N N 15 109.15 0.1 A 35 GLY H H 1 8.26 0.02 A 35 GLY C C 13 174.26 0.2 A 35 GLY CA C 13 45.39 0.1 A 35 GLY N N 15 109.26 0.1 A 36 GLY HAx H 1 3.92 0.02 A 36 GLY C C 13 174.41 0.2 A 36 GLY CA C 13 45.2 0.1 A 37 GLU H H 1 8.46 0.02 A 37 GLU HA H 1 4.19 0.02 A 37 GLU HBy H 1 1.98 0.02 A 37 GLU HBx H 1 1.88 0.02 A 37 GLU HGx H 1 2.2 0.02 A 37 GLU C C 13 176.53 0.2 A 37 GLU CA C 13 57.04 0.1 A 37 GLU CB C 13 30 0.1 A 37 GLU CG C 13 36.16 0.1 A 37 GLU N N 15 120.77 0.1 A 38 ASN H H 1 8.48 0.02 A 38 ASN HA H 1 4.67 0.02 A 38 ASN HBx H 1 2.67 0.02 A 38 ASN HBy H 1 2.71 0.02 A 38 ASN HD2x H 1 7.63 0.02 A 38 ASN C C 13 175.05 0.2 A 38 ASN CA C 13 53.46 0.1 A 38 ASN CB C 13 38.9 0.1 A 38 ASN N N 15 119.34 0.1 A 39 SER H H 1 8.11 0.02 A 39 SER HA H 1 4.36 0.02 A 39 SER HBx H 1 3.77 0.02 A 39 SER C C 13 173.74 0.2 A 39 SER CA C 13 58.21 0.1 A 39 SER CB C 13 63.97 0.1 A 39 SER N N 15 115.81 0.1 A 40 ALA H H 1 8.18 0.02 A 40 ALA HA H 1 4.55 0.02 A 40 ALA HB% H 1 1.29 0.02 A 40 ALA C C 13 175.26 0.2 A 40 ALA CA C 13 50.63 0.1 A 40 ALA CB C 13 18.45 0.1 A 40 ALA N N 15 126.39 0.1 A 41 PRO HA H 1 4.41 0.02 A 41 PRO HBy H 1 2.22 0.02 A 41 PRO HBx H 1 1.8 0.02 A 41 PRO HDy H 1 3.75 0.02 A 41 PRO HDx H 1 3.53 0.02 A 41 PRO HGx H 1 1.95 0.02 A 41 PRO C C 13 177.12 0.2 A 41 PRO CA C 13 62.88 0.1 A 41 PRO CB C 13 31.96 0.1 A 41 PRO CD C 13 50.53 0.1 A 41 PRO CG C 13 27.48 0.1 A 42 VAL H H 1 8.24 0.02 A 42 VAL HA H 1 3.84 0.02 A 42 VAL HB H 1 1.79 0.02 A 42 VAL HG1% H 1 0.91 0.02 A 42 VAL HG2% H 1 0.76 0.02 A 42 VAL C C 13 176.13 0.2 A 42 VAL CA C 13 63.31 0.1 A 42 VAL CB C 13 31.88 0.1 A 42 VAL CG1 C 13 21.47 0.1 A 42 VAL CG2 C 13 21.47 0.1 A 42 VAL N N 15 122.17 0.1 A 43 GLY H H 1 9.17 0.02 A 43 GLY HAy H 1 4.02 0.02 A 43 GLY HAx H 1 3.3 0.02 A 43 GLY C C 13 174.1 0.2 A 43 GLY CA C 13 44.94 0.1 A 43 GLY N N 15 114.41 0.1 A 44 ALA H H 1 7.78 0.02 A 44 ALA HA H 1 3.97 0.02 A 44 ALA HB% H 1 1.39 0.02 A 44 ALA C C 13 180.07 0.2 A 44 ALA CA C 13 55.38 0.1 A 44 ALA CB C 13 18.99 0.1 A 44 ALA N N 15 122.98 0.1 A 45 ALA H H 1 8.66 0.02 A 45 ALA HA H 1 4.2 0.02 A 45 ALA HB% H 1 1.39 0.02 A 45 ALA C C 13 179.05 0.2 A 45 ALA CA C 13 54.06 0.1 A 45 ALA CB C 13 18.99 0.1 A 45 ALA N N 15 117.34 0.1 A 46 ILE H H 1 7.3 0.02 A 46 ILE HA H 1 4.63 0.02 A 46 ILE HB H 1 2.14 0.02 A 46 ILE HD1% H 1 0.79 0.02 A 46 ILE HG1y H 1 1.34 0.02 A 46 ILE HG1x H 1 1.01 0.02 A 46 ILE HG2% H 1 0.75 0.02 A 46 ILE C C 13 176.5 0.2 A 46 ILE CA C 13 60.57 0.1 A 46 ILE CB C 13 38.74 0.1 A 46 ILE CD1 C 13 15.89 0.1 A 46 ILE CG1 C 13 26.65 0.1 A 46 ILE CG2 C 13 18.99 0.1 A 46 ILE N N 15 108.32 0.1 A 47 ALA H H 1 7.48 0.02 A 47 ALA HA H 1 3.8 0.02 A 47 ALA HB% H 1 1.42 0.02 A 47 ALA C C 13 179 0.2 A 47 ALA CA C 13 56.11 0.1 A 47 ALA CB C 13 19.2 0.1 A 47 ALA N N 15 123.82 0.1 A 48 ASN H H 1 8.4 0.02 A 48 ASN HA H 1 4.42 0.02 A 48 ASN HBx H 1 2.39 0.02 A 48 ASN HD2y H 1 7.13 0.02 A 48 ASN HD2x H 1 6.68 0.02 A 48 ASN C C 13 175.37 0.2 A 48 ASN CA C 13 54.91 0.1 A 48 ASN CB C 13 37.43 0.1 A 48 ASN N N 15 112.04 0.1 A 48 ASN ND2 N 15 112.81 0.1 A 49 PHE H H 1 8.12 0.02 A 49 PHE HA H 1 4.4 0.02 A 49 PHE HBy H 1 3.38 0.02 A 49 PHE HBx H 1 2.79 0.02 A 49 PHE HD1 H 1 7.14 0.02 A 49 PHE HD2 H 1 7.14 0.02 A 49 PHE C C 13 173.39 0.2 A 49 PHE CA C 13 58.28 0.1 A 49 PHE CB C 13 39.64 0.1 A 50 LEU H H 1 7.38 0.02 A 50 LEU HA H 1 4.77 0.02 A 50 LEU HBy H 1 1.7 0.02 A 50 LEU HBx H 1 1.56 0.02 A 50 LEU HD1% H 1 0.78 0.02 A 50 LEU HD2% H 1 0.66 0.02 A 50 LEU HG H 1 1.73 0.02 A 50 LEU C C 13 176.87 0.2 A 50 LEU CA C 13 54.26 0.1 A 50 LEU CB C 13 44.46 0.1 A 50 LEU CD1 C 13 24.75 0.1 A 50 LEU CD2 C 13 24.75 0.1 A 50 LEU CG C 13 28.53 0.1 A 50 LEU N N 15 120.67 0.1 A 51 GLU H H 1 8.86 0.02 A 51 GLU HA H 1 4.51 0.02 A 51 GLU HBy H 1 2.35 0.02 A 51 GLU HBx H 1 1.92 0.02 A 51 GLU HGy H 1 2.3 0.02 A 51 GLU HGx H 1 2.17 0.02 A 51 GLU C C 13 176.37 0.2 A 51 GLU CA C 13 56.04 0.1 A 51 GLU CB C 13 28.21 0.1 A 51 GLU CG C 13 37.2 0.1 A 51 GLU N N 15 121.89 0.1 A 52 PRO HA H 1 4.2 0.02 A 52 PRO HBy H 1 2.39 0.02 A 52 PRO HBx H 1 1.97 0.02 A 52 PRO HDx H 1 3.92 0.02 A 52 PRO HGy H 1 2.22 0.02 A 52 PRO HGx H 1 2.07 0.02 A 52 PRO C C 13 179.63 0.2 A 52 PRO CA C 13 66.57 0.1 A 52 PRO CB C 13 31.64 0.1 A 52 PRO CD C 13 50.29 0.1 A 52 PRO CG C 13 27.91 0.1 A 53 GLN H H 1 9.36 0.02 A 53 GLN HA H 1 4.07 0.02 A 53 GLN HBx H 1 2.18 0.02 A 53 GLN HE2y H 1 7.64 0.02 A 53 GLN HE2x H 1 6.86 0.02 A 53 GLN HGy H 1 2.61 0.02 A 53 GLN HGx H 1 2.46 0.02 A 53 GLN C C 13 179.06 0.2 A 53 GLN CA C 13 59.37 0.1 A 53 GLN CB C 13 28.18 0.1 A 53 GLN CG C 13 34.5 0.1 A 53 GLN N N 15 115.87 0.1 A 53 GLN NE2 N 15 112.08 0.1 A 54 ALA H H 1 7.4 0.02 A 54 ALA HA H 1 3.88 0.02 A 54 ALA HB% H 1 1.44 0.02 A 54 ALA C C 13 178.28 0.2 A 54 ALA CA C 13 55.35 0.1 A 54 ALA CB C 13 18.99 0.1 A 54 ALA N N 15 121.83 0.1 A 55 LEU H H 1 7.66 0.02 A 55 LEU HA H 1 3.91 0.02 A 55 LEU HBy H 1 1.91 0.02 A 55 LEU HBx H 1 1.46 0.02 A 55 LEU HD1% H 1 0.87 0.02 A 55 LEU HD2% H 1 0.86 0.02 A 55 LEU HG H 1 1.56 0.02 A 55 LEU C C 13 179.09 0.2 A 55 LEU CA C 13 58.05 0.1 A 55 LEU CB C 13 41.27 0.1 A 55 LEU CD1 C 13 25.42 0.1 A 55 LEU CD2 C 13 23.52 0.1 A 55 LEU CG C 13 27.16 0.1 A 55 LEU N N 15 119.14 0.1 A 56 GLU H H 1 8.2 0.02 A 56 GLU HA H 1 3.99 0.02 A 56 GLU HBx H 1 1.99 0.02 A 56 GLU HGy H 1 2.25 0.02 A 56 GLU HGx H 1 2.21 0.02 A 56 GLU C C 13 178.73 0.2 A 56 GLU CA C 13 59.45 0.1 A 56 GLU CB C 13 29.09 0.1 A 56 GLU CG C 13 35.87 0.1 A 56 GLU N N 15 119.89 0.1 A 57 ARG H H 1 7.69 0.02 A 57 ARG HA H 1 3.98 0.02 A 57 ARG HBy H 1 2.23 0.02 A 57 ARG HBx H 1 1.98 0.02 A 57 ARG HDy H 1 3.24 0.02 A 57 ARG HDx H 1 3.1 0.02 A 57 ARG HGy H 1 1.56 0.02 A 57 ARG HGx H 1 1.43 0.02 A 57 ARG C C 13 177.91 0.2 A 57 ARG CA C 13 57.78 0.1 A 57 ARG CB C 13 28.89 0.1 A 57 ARG CD C 13 41.46 0.1 A 57 ARG CG C 13 26.53 0.1 A 57 ARG N N 15 119.12 0.1 A 58 LEU H H 1 8.09 0.02 A 58 LEU HA H 1 3.89 0.02 A 58 LEU HBy H 1 1.88 0.02 A 58 LEU HBx H 1 1.47 0.02 A 58 LEU HD1% H 1 0.74 0.02 A 58 LEU HD2% H 1 0.9 0.02 A 58 LEU HG H 1 1.6 0.02 A 58 LEU C C 13 177.95 0.2 A 58 LEU CA C 13 57.98 0.1 A 58 LEU CB C 13 42.07 0.1 A 58 LEU CD1 C 13 25.17 0.1 A 58 LEU CD2 C 13 23.72 0.1 A 58 LEU CG C 13 26.84 0.1 A 58 LEU N N 15 118.95 0.1 A 59 SER H H 1 8.37 0.02 A 59 SER HA H 1 4.05 0.02 A 59 SER HBx H 1 3.9 0.02 A 59 SER C C 13 176.49 0.2 A 59 SER CA C 13 61.79 0.1 A 59 SER CB C 13 62.81 0.1 A 59 SER N N 15 114.47 0.1 A 60 ARG H H 1 7.93 0.02 A 60 ARG HA H 1 4.05 0.02 A 60 ARG HBy H 1 2 0.02 A 60 ARG HBx H 1 1.87 0.02 A 60 ARG HDy H 1 3.16 0.02 A 60 ARG HDx H 1 3.07 0.02 A 60 ARG HGy H 1 1.84 0.02 A 60 ARG HGx H 1 1.63 0.02 A 60 ARG C C 13 180.28 0.2 A 60 ARG CA C 13 59.39 0.1 A 60 ARG CB C 13 29.91 0.1 A 60 ARG CD C 13 43.61 0.1 A 60 ARG CG C 13 27.56 0.1 A 60 ARG N N 15 121.33 0.1 A 61 VAL H H 1 8.1 0.02 A 61 VAL HA H 1 3.67 0.02 A 61 VAL HB H 1 2.18 0.02 A 61 VAL HG1% H 1 1.06 0.02 A 61 VAL HG2% H 1 0.91 0.02 A 61 VAL C C 13 177.86 0.2 A 61 VAL CA C 13 66.01 0.1 A 61 VAL CB C 13 31.72 0.1 A 61 VAL CG1 C 13 22.8 0.1 A 61 VAL CG2 C 13 21.16 0.1 A 61 VAL N N 15 120.94 0.1 A 62 ALA H H 1 8.15 0.02 A 62 ALA HA H 1 3.72 0.02 A 62 ALA HB% H 1 1.4 0.02 A 62 ALA C C 13 177.38 0.2 A 62 ALA CA C 13 54.39 0.1 A 62 ALA CB C 13 18.61 0.1 A 62 ALA N N 15 120.55 0.1 A 63 LEU H H 1 7.15 0.02 A 63 LEU HA H 1 4.1 0.02 A 63 LEU HBy H 1 1.84 0.02 A 63 LEU HBx H 1 1.59 0.02 A 63 LEU HD1% H 1 0.9 0.02 A 63 LEU HD2% H 1 0.84 0.02 A 63 LEU HG H 1 1.87 0.02 A 63 LEU C C 13 177.97 0.2 A 63 LEU CA C 13 57.03 0.1 A 63 LEU CB C 13 42.48 0.1 A 63 LEU CD1 C 13 25.03 0.1 A 63 LEU CD2 C 13 23.33 0.1 A 63 LEU CG C 13 26.54 0.1 A 63 LEU N N 15 114.71 0.1 A 64 VAL H H 1 7.24 0.02 A 64 VAL HA H 1 4.27 0.02 A 64 VAL HB H 1 2.11 0.02 A 64 VAL HG1% H 1 0.95 0.02 A 64 VAL HG2% H 1 0.97 0.02 A 64 VAL C C 13 176.07 0.2 A 64 VAL CA C 13 63.21 0.1 A 64 VAL CB C 13 33.72 0.1 A 64 VAL CG1 C 13 21.75 0.1 A 64 VAL CG2 C 13 20.3 0.1 A 64 VAL N N 15 114.13 0.1 A 65 ARG H H 1 8.72 0.02 A 65 ARG HA H 1 4.72 0.02 A 65 ARG HBy H 1 1.8 0.02 A 65 ARG HBx H 1 1.73 0.02 A 65 ARG HDy H 1 3.29 0.02 A 65 ARG HDx H 1 3.26 0.02 A 65 ARG HGy H 1 1.61 0.02 A 65 ARG HGx H 1 1.55 0.02 A 65 ARG C C 13 175.28 0.2 A 65 ARG CA C 13 52.89 0.1 A 65 ARG CB C 13 30.65 0.1 A 65 ARG CD C 13 41.86 0.1 A 65 ARG CG C 13 26.94 0.1 A 65 ARG N N 15 122.43 0.1 A 66 ARG H H 1 8.89 0.02 A 66 ARG HA H 1 3.87 0.02 A 66 ARG HBy H 1 2.05 0.02 A 66 ARG HBx H 1 1.78 0.02 A 66 ARG HDx H 1 3.18 0.02 A 66 ARG HGx H 1 1.65 0.02 A 66 ARG C C 13 177.6 0.2 A 66 ARG CA C 13 60.73 0.1 A 66 ARG CB C 13 29.65 0.1 A 66 ARG CD C 13 43.12 0.1 A 66 ARG CG C 13 27.48 0.1 A 66 ARG N N 15 127.12 0.1 A 67 ASP H H 1 8.85 0.02 A 67 ASP HA H 1 4.31 0.02 A 67 ASP HBy H 1 2.78 0.02 A 67 ASP HBx H 1 2.57 0.02 A 67 ASP C C 13 179.15 0.2 A 67 ASP CA C 13 56.4 0.1 A 67 ASP CB C 13 38.81 0.1 A 67 ASP N N 15 115.95 0.1 A 68 ARG H H 1 7.56 0.02 A 68 ARG HA H 1 4.07 0.02 A 68 ARG HBy H 1 1.85 0.02 A 68 ARG HBx H 1 1.64 0.02 A 68 ARG HDx H 1 3.06 0.02 A 68 ARG HGx H 1 1.51 0.02 A 68 ARG C C 13 177.65 0.2 A 68 ARG CA C 13 58.66 0.1 A 68 ARG CB C 13 30 0.1 A 68 ARG CD C 13 43.36 0.1 A 68 ARG CG C 13 27.41 0.1 A 68 ARG N N 15 122.5 0.1 A 69 ALA H H 1 7.63 0.02 A 69 ALA HA H 1 3.85 0.02 A 69 ALA HB% H 1 1.43 0.02 A 69 ALA C C 13 179.2 0.2 A 69 ALA CA C 13 55.58 0.1 A 69 ALA CB C 13 18.49 0.1 A 69 ALA N N 15 120.33 0.1 A 70 GLN H H 1 8.68 0.02 A 70 GLN HA H 1 4.06 0.02 A 70 GLN HBy H 1 2.18 0.02 A 70 GLN HBx H 1 2.08 0.02 A 70 GLN HE2y H 1 7.45 0.02 A 70 GLN HE2x H 1 6.69 0.02 A 70 GLN HGy H 1 2.47 0.02 A 70 GLN HGx H 1 2.37 0.02 A 70 GLN C C 13 178.23 0.2 A 70 GLN CA C 13 59.02 0.1 A 70 GLN CB C 13 28.61 0.1 A 70 GLN CG C 13 34.78 0.1 A 70 GLN N N 15 117.29 0.1 A 71 ALA H H 1 7.76 0.02 A 71 ALA HA H 1 4.19 0.02 A 71 ALA HB% H 1 1.55 0.02 A 71 ALA C C 13 181.08 0.2 A 71 ALA CA C 13 55.46 0.1 A 71 ALA CB C 13 18.27 0.1 A 71 ALA N N 15 122.42 0.1 A 72 VAL H H 1 7.89 0.02 A 72 VAL HA H 1 3.5 0.02 A 72 VAL HB H 1 2.34 0.02 A 72 VAL HG1% H 1 0.98 0.02 A 72 VAL HG2% H 1 0.89 0.02 A 72 VAL C C 13 177.14 0.2 A 72 VAL CA C 13 66.8 0.1 A 72 VAL CB C 13 30.99 0.1 A 72 VAL CG1 C 13 23.36 0.1 A 72 VAL CG2 C 13 22.16 0.1 A 72 VAL N N 15 119.85 0.1 A 73 GLU H H 1 8.28 0.02 A 73 GLU HA H 1 3.75 0.02 A 73 GLU HBy H 1 2.32 0.02 A 73 GLU HBx H 1 2.01 0.02 A 73 GLU HGx H 1 2.1 0.02 A 73 GLU HGy H 1 2.1 0.02 A 73 GLU C C 13 177.77 0.2 A 73 GLU CA C 13 61.11 0.1 A 73 GLU CB C 13 29.69 0.1 A 73 GLU CG C 13 37.46 0.1 A 73 GLU N N 15 120.65 0.1 A 74 THR H H 1 8.73 0.02 A 74 THR HA H 1 3.73 0.02 A 74 THR HB H 1 4.23 0.02 A 74 THR HG2% H 1 1.21 0.02 A 74 THR C C 13 175.81 0.2 A 74 THR CA C 13 67.25 0.1 A 74 THR CB C 13 69.09 0.1 A 74 THR CG2 C 13 21.79 0.1 A 74 THR N N 15 116.5 0.1 A 75 TYR H H 1 7.8 0.02 A 75 TYR HA H 1 4.13 0.02 A 75 TYR HBy H 1 3.19 0.02 A 75 TYR HBx H 1 3.08 0.02 A 75 TYR HD1 H 1 6.96 0.02 A 75 TYR HD2 H 1 7.11 0.02 A 75 TYR HE1 H 1 6.72 0.02 A 75 TYR HE2 H 1 6.72 0.02 A 75 TYR C C 13 177.86 0.2 A 75 TYR CA C 13 61.57 0.1 A 75 TYR CB C 13 38.4 0.1 A 75 TYR N N 15 122.61 0.1 A 76 LEU H H 1 8.69 0.02 A 76 LEU HA H 1 3.84 0.02 A 76 LEU HBy H 1 2.03 0.02 A 76 LEU HBx H 1 1.09 0.02 A 76 LEU HD1% H 1 0.84 0.02 A 76 LEU HD2% H 1 0.77 0.02 A 76 LEU HG H 1 0.81 0.02 A 76 LEU C C 13 178.58 0.2 A 76 LEU CA C 13 57.63 0.1 A 76 LEU CB C 13 42.05 0.1 A 76 LEU CD1 C 13 23.14 0.1 A 76 LEU CD2 C 13 23.14 0.1 A 76 LEU CG C 13 27.02 0.1 A 76 LEU N N 15 118.76 0.1 A 77 LYS H H 1 8.69 0.02 A 77 LYS HA H 1 3.65 0.02 A 77 LYS HBx H 1 1.78 0.02 A 77 LYS HDx H 1 1.58 0.02 A 77 LYS HEx H 1 2.81 0.02 A 77 LYS HGy H 1 1.58 0.02 A 77 LYS HGx H 1 1.26 0.02 A 77 LYS C C 13 179.32 0.2 A 77 LYS CA C 13 60.76 0.1 A 77 LYS CB C 13 32.33 0.1 A 77 LYS CD C 13 29.95 0.1 A 77 LYS CE C 13 41.54 0.1 A 77 LYS CG C 13 26.39 0.1 A 77 LYS N N 15 118.64 0.1 A 78 LYS H H 1 7.36 0.02 A 78 LYS HA H 1 3.98 0.02 A 78 LYS HBx H 1 1.79 0.02 A 78 LYS HDx H 1 1.56 0.02 A 78 LYS HEx H 1 2.82 0.02 A 78 LYS HGy H 1 1.45 0.02 A 78 LYS HGx H 1 1.25 0.02 A 78 LYS C C 13 178.85 0.2 A 78 LYS CA C 13 59.31 0.1 A 78 LYS CB C 13 31.71 0.1 A 78 LYS CD C 13 29.06 0.1 A 78 LYS CE C 13 41.75 0.1 A 78 LYS CG C 13 25.03 0.1 A 78 LYS N N 15 119.35 0.1 A 79 LEU H H 1 7.67 0.02 A 79 LEU HA H 1 3.78 0.02 A 79 LEU HBx H 1 1.41 0.02 A 79 LEU HD1% H 1 0.68 0.02 A 79 LEU HD2% H 1 0.68 0.02 A 79 LEU HG H 1 1.3 0.02 A 79 LEU C C 13 179.44 0.2 A 79 LEU CA C 13 58.04 0.1 A 79 LEU CB C 13 42.34 0.1 A 79 LEU CD1 C 13 24.41 0.1 A 79 LEU CD2 C 13 24.41 0.1 A 79 LEU CG C 13 26.45 0.1 A 79 LEU N N 15 121.39 0.1 A 80 ILE H H 1 8.45 0.02 A 80 ILE HA H 1 3.38 0.02 A 80 ILE HB H 1 1.42 0.02 A 80 ILE HD1% H 1 0.34 0.02 A 80 ILE HG1y H 1 1.32 0.02 A 80 ILE HG1x H 1 0.2 0.02 A 80 ILE HG2% H 1 0.28 0.02 A 80 ILE C C 13 178.97 0.2 A 80 ILE CA C 13 64.56 0.1 A 80 ILE CB C 13 38.47 0.1 A 80 ILE CD1 C 13 14.89 0.1 A 80 ILE CG1 C 13 29.43 0.1 A 80 ILE CG2 C 13 17.22 0.1 A 80 ILE N N 15 119.75 0.1 A 81 ALA H H 1 7.72 0.02 A 81 ALA HA H 1 4.12 0.02 A 81 ALA HB% H 1 1.45 0.02 A 81 ALA C C 13 178.78 0.2 A 81 ALA CA C 13 54.25 0.1 A 81 ALA CB C 13 18.91 0.1 A 81 ALA N N 15 121.14 0.1 A 82 THR H H 1 7.37 0.02 A 82 THR HA H 1 4.27 0.02 A 82 THR HB H 1 4.36 0.02 A 82 THR HG2% H 1 1.2 0.02 A 82 THR C C 13 174.16 0.2 A 82 THR CA C 13 61.92 0.1 A 82 THR CB C 13 69.89 0.1 A 82 THR CG2 C 13 21.37 0.1 A 82 THR N N 15 105.73 0.1 A 83 ASN H H 1 7.87 0.02 A 83 ASN HA H 1 4.68 0.02 A 83 ASN HBy H 1 2.92 0.02 A 83 ASN HBx H 1 2.76 0.02 A 83 ASN HD2y H 1 7.49 0.02 A 83 ASN HD2x H 1 6.79 0.02 A 83 ASN C C 13 174.46 0.2 A 83 ASN CA C 13 54.26 0.1 A 83 ASN CB C 13 38.05 0.1 A 83 ASN N N 15 116.09 0.1 A 83 ASN ND2 N 15 113.17 0.1 A 84 ASN H H 1 8.13 0.02 A 84 ASN HA H 1 4.8 0.02 A 84 ASN HBy H 1 2.84 0.02 A 84 ASN HBx H 1 2.46 0.02 A 84 ASN HD2y H 1 7.36 0.02 A 84 ASN HD2x H 1 6.83 0.02 A 84 ASN C C 13 174.57 0.2 A 84 ASN CA C 13 53.43 0.1 A 84 ASN CB C 13 39.75 0.1 A 84 ASN N N 15 115.77 0.1 A 84 ASN ND2 N 15 112.81 0.1 A 85 VAL H H 1 7.92 0.02 A 85 VAL HA H 1 4.19 0.02 A 85 VAL HB H 1 1.97 0.02 A 85 VAL HG1% H 1 0.89 0.02 A 85 VAL HG2% H 1 0.66 0.02 A 85 VAL C C 13 176.5 0.2 A 85 VAL CA C 13 62.55 0.1 A 85 VAL CB C 13 32.02 0.1 A 85 VAL CG1 C 13 22.06 0.1 A 85 VAL CG2 C 13 21.51 0.1 A 85 VAL N N 15 120.15 0.1 A 86 THR H H 1 8.72 0.02 A 86 THR HA H 1 4.39 0.02 A 86 THR HB H 1 4.41 0.02 A 86 THR HG2% H 1 1.09 0.02 A 86 THR C C 13 173.93 0.2 A 86 THR CA C 13 61.7 0.1 A 86 THR CB C 13 69.78 0.1 A 86 THR CG2 C 13 21.89 0.1 A 86 THR N N 15 117.06 0.1 A 87 HIS H H 1 7.47 0.02 A 87 HIS HA H 1 4.81 0.02 A 87 HIS HBy H 1 3.25 0.02 A 87 HIS HBx H 1 3.22 0.02 A 87 HIS C C 13 173.19 0.2 A 87 HIS CA C 13 54.18 0.1 A 87 HIS CB C 13 30.48 0.1 A 87 HIS N N 15 117.03 0.1 A 88 LYS H H 1 8.62 0.02 A 88 LYS HA H 1 4.15 0.02 A 88 LYS HBy H 1 1.8 0.02 A 88 LYS HBx H 1 1.36 0.02 A 88 LYS HDx H 1 1.41 0.02 A 88 LYS HEx H 1 2.85 0.02 A 88 LYS HGy H 1 1.51 0.02 A 88 LYS HGx H 1 1.14 0.02 A 88 LYS C C 13 177.03 0.2 A 88 LYS CA C 13 57.16 0.1 A 88 LYS CB C 13 32.93 0.1 A 88 LYS CD C 13 29.13 0.1 A 88 LYS CE C 13 41.86 0.1 A 88 LYS CG C 13 26.03 0.1 A 88 LYS N N 15 119.74 0.1 A 89 ILE H H 1 8.9 0.02 A 89 ILE HA H 1 4.23 0.02 A 89 ILE HB H 1 1.94 0.02 A 89 ILE HD1% H 1 0.77 0.02 A 89 ILE HG1x H 1 1.53 0.02 A 89 ILE HG2% H 1 0.97 0.02 A 89 ILE C C 13 176.42 0.2 A 89 ILE CA C 13 60.98 0.1 A 89 ILE CB C 13 37.11 0.1 A 89 ILE CD1 C 13 11.97 0.1 A 89 ILE CG1 C 13 27.38 0.1 A 89 ILE CG2 C 13 17.9 0.1 A 89 ILE N N 15 125.15 0.1 A 90 THR H H 1 8.65 0.02 A 90 THR HA H 1 4.37 0.02 A 90 THR HB H 1 4.71 0.02 A 90 THR HG2% H 1 1.36 0.02 A 90 THR C C 13 176.09 0.2 A 90 THR CA C 13 60.82 0.1 A 90 THR CB C 13 72.09 0.1 A 90 THR CG2 C 13 22 0.1 A 90 THR N N 15 118.27 0.1 A 91 GLU H H 1 9.62 0.02 A 91 GLU HA H 1 3.61 0.02 A 91 GLU HBy H 1 2.02 0.02 A 91 GLU HBx H 1 1.7 0.02 A 91 GLU HGy H 1 2.23 0.02 A 91 GLU HGx H 1 1.99 0.02 A 91 GLU C C 13 177.42 0.2 A 91 GLU CA C 13 60.61 0.1 A 91 GLU CB C 13 29.01 0.1 A 91 GLU CG C 13 36.23 0.1 A 91 GLU N N 15 122.83 0.1 A 92 ALA H H 1 8.45 0.02 A 92 ALA HA H 1 3.97 0.02 A 92 ALA HB% H 1 1.35 0.02 A 92 ALA C C 13 181.18 0.2 A 92 ALA CA C 13 54.93 0.1 A 92 ALA CB C 13 18.17 0.1 A 92 ALA N N 15 119.65 0.1 A 93 GLU H H 1 7.7 0.02 A 93 GLU HA H 1 4.01 0.02 A 93 GLU HBy H 1 2.52 0.02 A 93 GLU HBx H 1 1.89 0.02 A 93 GLU HGx H 1 2.3 0.02 A 93 GLU C C 13 179.27 0.2 A 93 GLU CA C 13 59.38 0.1 A 93 GLU CB C 13 29.92 0.1 A 93 GLU CG C 13 37.94 0.1 A 93 GLU N N 15 118.81 0.1 A 94 ILE H H 1 8.13 0.02 A 94 ILE HA H 1 3.79 0.02 A 94 ILE HB H 1 2.31 0.02 A 94 ILE HD1% H 1 0.7 0.02 A 94 ILE HG1y H 1 1.72 0.02 A 94 ILE HG1x H 1 1.44 0.02 A 94 ILE HG2% H 1 0.94 0.02 A 94 ILE C C 13 177.37 0.2 A 94 ILE CA C 13 63.27 0.1 A 94 ILE CB C 13 35.84 0.1 A 94 ILE CD1 C 13 12.59 0.1 A 94 ILE CG1 C 13 28.98 0.1 A 94 ILE CG2 C 13 18.08 0.1 A 94 ILE N N 15 120.22 0.1 A 95 VAL H H 1 8.35 0.02 A 95 VAL HA H 1 3.45 0.02 A 95 VAL HB H 1 2.1 0.02 A 95 VAL HG1% H 1 0.96 0.02 A 95 VAL HG2% H 1 0.85 0.02 A 95 VAL C C 13 177.75 0.2 A 95 VAL CA C 13 67.34 0.1 A 95 VAL CB C 13 31.43 0.1 A 95 VAL CG1 C 13 23.07 0.1 A 95 VAL CG2 C 13 20.97 0.1 A 95 VAL N N 15 121.56 0.1 A 96 SER H H 1 7.85 0.02 A 96 SER HA H 1 4.19 0.02 A 96 SER HBx H 1 3.95 0.02 A 96 SER C C 13 177.94 0.2 A 96 SER CA C 13 61.93 0.1 A 96 SER N N 15 115.19 0.1 A 97 ILE H H 1 8.06 0.02 A 97 ILE HA H 1 3.56 0.02 A 97 ILE HB H 1 1.79 0.02 A 97 ILE HD1% H 1 0.81 0.02 A 97 ILE HG1x H 1 0.72 0.02 A 97 ILE HG2% H 1 0.61 0.02 A 97 ILE C C 13 178.73 0.2 A 97 ILE CA C 13 65.12 0.1 A 97 ILE CB C 13 38.21 0.1 A 97 ILE CD1 C 13 14.94 0.1 A 97 ILE CG1 C 13 28.82 0.1 A 97 ILE CG2 C 13 18.99 0.1 A 97 ILE N N 15 123.31 0.1 A 98 LEU H H 1 8.59 0.02 A 98 LEU HA H 1 3.7 0.02 A 98 LEU HBy H 1 1.85 0.02 A 98 LEU HBx H 1 1.58 0.02 A 98 LEU HD1% H 1 0.81 0.02 A 98 LEU HD2% H 1 0.81 0.02 A 98 LEU HG H 1 1.6 0.02 A 98 LEU C C 13 178.94 0.2 A 98 LEU CA C 13 58.58 0.1 A 98 LEU CB C 13 41.92 0.1 A 98 LEU CD1 C 13 25.67 0.1 A 98 LEU CD2 C 13 25.67 0.1 A 98 LEU CG C 13 27.46 0.1 A 98 LEU N N 15 121.55 0.1 A 99 ASN H H 1 8.43 0.02 A 99 ASN HA H 1 4.42 0.02 A 99 ASN HBy H 1 2.82 0.02 A 99 ASN HBx H 1 2.75 0.02 A 99 ASN HD2y H 1 7.5 0.02 A 99 ASN HD2x H 1 6.8 0.02 A 99 ASN C C 13 177.79 0.2 A 99 ASN CA C 13 55.55 0.1 A 99 ASN CB C 13 37.72 0.1 A 99 ASN N N 15 117.37 0.1 A 99 ASN ND2 N 15 112.13 0.1 A 100 GLY H H 1 7.92 0.02 A 100 GLY HAx H 1 3.86 0.02 A 100 GLY C C 13 176.2 0.2 A 100 GLY CA C 13 47.03 0.1 A 100 GLY N N 15 108.45 0.1 A 101 ILE H H 1 7.95 0.02 A 101 ILE HA H 1 3.76 0.02 A 101 ILE HB H 1 1.79 0.02 A 101 ILE HD1% H 1 0.63 0.02 A 101 ILE HG1y H 1 1.47 0.02 A 101 ILE HG1x H 1 1.05 0.02 A 101 ILE HG2% H 1 0.77 0.02 A 101 ILE C C 13 177.63 0.2 A 101 ILE CA C 13 63.39 0.1 A 101 ILE CB C 13 38.11 0.1 A 101 ILE CD1 C 13 14.59 0.1 A 101 ILE CG1 C 13 28.7 0.1 A 101 ILE CG2 C 13 17.59 0.1 A 101 ILE N N 15 122.63 0.1 A 102 ALA H H 1 8.08 0.02 A 102 ALA HA H 1 4.02 0.02 A 102 ALA HB% H 1 1.38 0.02 A 102 ALA C C 13 178.91 0.2 A 102 ALA CA C 13 54.49 0.1 A 102 ALA CB C 13 18.72 0.1 A 102 ALA N N 15 123 0.1 A 103 LYS H H 1 7.71 0.02 A 103 LYS HA H 1 4.1 0.02 A 103 LYS HBx H 1 1.84 0.02 A 103 LYS HDx H 1 1.62 0.02 A 103 LYS HEx H 1 2.91 0.02 A 103 LYS HGy H 1 1.49 0.02 A 103 LYS HGx H 1 1.4 0.02 A 103 LYS C C 13 177.83 0.2 A 103 LYS CA C 13 57.97 0.1 A 103 LYS CB C 13 32.57 0.1 A 103 LYS CD C 13 29.24 0.1 A 103 LYS CE C 13 42.17 0.1 A 103 LYS CG C 13 25.13 0.1 A 103 LYS N N 15 117.37 0.1 A 104 GLN H H 1 7.82 0.02 A 104 GLN HA H 1 4.16 0.02 A 104 GLN HBy H 1 2.12 0.02 A 104 GLN HBx H 1 2.05 0.02 A 104 GLN HE2y H 1 7.4 0.02 A 104 GLN HE2x H 1 6.76 0.02 A 104 GLN HGy H 1 2.38 0.02 A 104 GLN HGx H 1 2.33 0.02 A 104 GLN C C 13 177.06 0.2 A 104 GLN CA C 13 57.36 0.1 A 104 GLN CB C 13 28.94 0.1 A 104 GLN CG C 13 33.87 0.1 A 104 GLN N N 15 119.34 0.1 A 105 GLN H H 1 8.22 0.02 A 105 GLN HA H 1 4.09 0.02 A 105 GLN HBx H 1 1.84 0.02 A 105 GLN HGx H 1 2.15 0.02 A 105 GLN C C 13 176.43 0.2 A 105 GLN CA C 13 56.96 0.1 A 105 GLN CB C 13 30.11 0.1 A 105 GLN CG C 13 36.12 0.1 A 105 GLN N N 15 119.76 0.1 A 106 ASN H H 1 8.27 0.02 A 106 ASN HA H 1 4.42 0.02 A 106 ASN HBx H 1 2.39 0.02 A 106 ASN C C 13 175.61 0.2 A 106 ASN N N 15 119.1 0.1 A 107 SER H H 1 8.13 0.02 A 107 SER HA H 1 4.37 0.02 A 107 SER HBx H 1 3.88 0.02 A 107 SER C C 13 174.81 0.2 A 107 SER CA C 13 59.15 0.1 A 107 SER CB C 13 63.88 0.1 A 107 SER N N 15 115.7 0.1 A 108 GLN H H 1 8.27 0.02 A 108 GLN HA H 1 4.26 0.02 A 108 GLN HBy H 1 2.09 0.02 A 108 GLN HBx H 1 1.97 0.02 A 108 GLN HGx H 1 2.32 0.02 A 108 GLN C C 13 175.93 0.2 A 108 GLN CA C 13 56.42 0.1 A 108 GLN CB C 13 28.98 0.1 A 108 GLN CG C 13 33.77 0.1 A 108 GLN N N 15 121.24 0.1 A 109 ASN H H 1 8.28 0.02 A 109 ASN HA H 1 4.62 0.02 A 109 ASN HBx H 1 2.79 0.02 A 109 ASN HD2y H 1 7.56 0.02 A 109 ASN HD2x H 1 6.88 0.02 A 109 ASN C C 13 175.1 0.2 A 109 ASN CA C 13 53.49 0.1 A 109 ASN CB C 13 38.82 0.1 A 109 ASN N N 15 118.71 0.1 A 109 ASN ND2 N 15 112.57 0.1 A 110 ASN H H 1 8.31 0.02 A 110 ASN HA H 1 4.68 0.02 A 110 ASN HBy H 1 2.75 0.02 A 110 ASN HBx H 1 2.73 0.02 A 110 ASN C C 13 175.42 0.2 A 110 ASN CA C 13 53.46 0.1 A 110 ASN CB C 13 38.98 0.1 A 110 ASN N N 15 119.27 0.1 A 111 SER H H 1 8.19 0.02 A 111 SER HA H 1 4.36 0.02 A 111 SER HBx H 1 3.83 0.02 A 111 SER C C 13 174.51 0.2 A 111 SER CA C 13 59.15 0.1 A 111 SER CB C 13 63.85 0.1 A 111 SER N N 15 116.3 0.1 A 112 LYS H H 1 8.18 0.02 A 112 LYS HA H 1 4.25 0.02 A 112 LYS HBy H 1 1.8 0.02 A 112 LYS HBx H 1 1.75 0.02 A 112 LYS HDx H 1 1.61 0.02 A 112 LYS HEx H 1 2.92 0.02 A 112 LYS HGx H 1 1.35 0.02 A 112 LYS C C 13 176.37 0.2 A 112 LYS CA C 13 56.77 0.1 A 112 LYS CB C 13 32.86 0.1 A 112 LYS CD C 13 29.14 0.1 A 112 LYS CE C 13 42.21 0.1 A 112 LYS CG C 13 24.9 0.1 A 112 LYS N N 15 122.87 0.1 A 113 ILE H H 1 7.95 0.02 A 113 ILE HA H 1 3.98 0.02 A 113 ILE HB H 1 1.7 0.02 A 113 ILE HD1% H 1 0.74 0.02 A 113 ILE HG1y H 1 1.38 0.02 A 113 ILE HG1x H 1 1.05 0.02 A 113 ILE HG2% H 1 0.66 0.02 A 113 ILE C C 13 176.02 0.2 A 113 ILE CA C 13 61.56 0.1 A 113 ILE CB C 13 38.32 0.1 A 113 ILE CD1 C 13 13.38 0.1 A 113 ILE CG1 C 13 27.46 0.1 A 113 ILE CG2 C 13 18.07 0.1 A 113 ILE N N 15 121.73 0.1 A 114 ILE H H 1 8.03 0.02 A 114 ILE HA H 1 4.06 0.02 A 114 ILE HB H 1 1.71 0.02 A 114 ILE HD1% H 1 0.73 0.02 A 114 ILE HG1y H 1 1.36 0.02 A 114 ILE HG1x H 1 1.05 0.02 A 114 ILE HG2% H 1 0.72 0.02 A 114 ILE C C 13 175.94 0.2 A 114 ILE CA C 13 61.08 0.1 A 114 ILE CB C 13 38.47 0.1 A 114 ILE CD1 C 13 13.05 0.1 A 114 ILE CG1 C 13 27.27 0.1 A 114 ILE CG2 C 13 17.79 0.1 A 114 ILE N N 15 124.77 0.1 A 115 PHE H H 1 8.21 0.02 A 115 PHE HA H 1 4.5 0.02 A 115 PHE HBy H 1 3.01 0.02 A 115 PHE HBx H 1 2.96 0.02 A 115 PHE HD1 H 1 7.15 0.02 A 115 PHE HD2 H 1 7.15 0.02 A 115 PHE C C 13 175.64 0.2 A 115 PHE CA C 13 58.14 0.1 A 115 PHE CB C 13 39.68 0.1 A 115 PHE N N 15 124.4 0.1 A 116 GLU H H 1 8.31 0.02 A 116 GLU HA H 1 4.18 0.02 A 116 GLU HBy H 1 1.98 0.02 A 116 GLU HBx H 1 1.87 0.02 A 116 GLU HGx H 1 2.19 0.02 A 116 GLU C C 13 176.12 0.2 A 116 GLU CA C 13 56.75 0.1 A 116 GLU CB C 13 30.36 0.1 A 116 GLU CG C 13 36.29 0.1 A 116 GLU N N 15 122.83 0.1 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 HGy 1.0 1.8 5.0 2 1 A 1 MET HA A 1 MET HGx 1.0 1.8 5.0 3 2 A 2 ASP HA A 4 GLU H 1.0 1.8 5.5 4 3 A 4 GLU H A 2 ASP HBx 1.0 1.8 6.0 5 4 A 4 GLU H A 2 ASP HBy 1.0 1.8 6.0 6 5 A 2 ASP HA A 3 PRO HGx 1.0 1.8 5.0 7 5 A 2 ASP HA A 3 PRO HGy 1.0 1.8 5.0 8 6 A 2 ASP HA A 3 PRO HDx 1.0 1.8 3.5 9 7 A 2 ASP HA A 3 PRO HDy 1.0 1.8 3.5 10 8 A 3 PRO HDx A 2 ASP HBx 1.0 1.8 5.5 11 8 A 2 ASP HBx A 3 PRO HDy 1.0 1.8 5.5 12 9 A 3 PRO HDx A 2 ASP HBy 1.0 1.8 5.5 13 9 A 2 ASP HBy A 3 PRO HDy 1.0 1.8 5.5 14 10 A 2 ASP HBy A 5 LEU HBx 1.0 1.8 5.0 15 10 A 2 ASP HBx A 5 LEU HBx 1.0 1.8 5.0 16 10 A 5 LEU HBy A 2 ASP HBx 1.0 1.8 5.0 17 10 A 2 ASP HBy A 5 LEU HBy 1.0 1.8 5.0 18 11 A 5 LEU HG A 2 ASP HBx 1.0 1.8 5.0 19 11 A 2 ASP HBy A 5 LEU HG 1.0 1.8 5.0 20 12 A 5 LEU HD1% A 2 ASP HBx 1.0 1.8 6.0 21 13 A 2 ASP HBy A 5 LEU HD1% 1.0 1.8 6.0 22 14 A 5 LEU HD1% A 2 ASP HBx 1.0 1.8 5.5 23 14 A 2 ASP HBy A 5 LEU HD1% 1.0 1.8 5.5 24 15 A 4 GLU H A 3 PRO HA 1.0 1.8 4.0 25 16 A 4 GLU H A 3 PRO HDy 1.0 1.8 4.0 26 16 A 4 GLU H A 3 PRO HDx 1.0 1.8 4.0 27 17 A 4 GLU H A 3 PRO HBy 1.0 1.8 4.5 28 17 A 4 GLU H A 3 PRO HBx 1.0 1.8 4.5 29 18 A 4 GLU H A 3 PRO HGx 1.0 1.8 4.0 30 18 A 4 GLU H A 3 PRO HGy 1.0 1.8 4.0 31 19 A 3 PRO HA A 5 LEU H 1.0 1.8 5.5 32 20 A 3 PRO HA A 6 GLN H 1.0 1.8 4.0 33 21 A 3 PRO HA A 7 CYS H 1.0 1.8 5.0 34 22 A 3 PRO HA A 3 PRO HGx 1.0 1.8 5.0 35 22 A 3 PRO HGy A 3 PRO HA 1.0 1.8 5.0 36 23 A 3 PRO HDx A 3 PRO HA 1.0 1.8 5.0 37 24 A 3 PRO HA A 3 PRO HDy 1.0 1.8 5.0 38 25 A 3 PRO HA A 6 GLN HBx 1.0 1.8 4.5 39 25 A 3 PRO HA A 6 GLN HBy 1.0 1.8 4.5 40 26 A 4 GLU H A 5 LEU H 1.0 1.8 3.0 41 27 A 4 GLU H A 6 GLN H 1.0 1.8 5.0 42 28 A 4 GLU H A 4 GLU HA 1.0 1.8 3.5 43 29 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.5 44 29 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.5 45 30 A 4 GLU H A 4 GLU HGy 1.0 1.8 4.5 46 30 A 4 GLU H A 4 GLU HGx 1.0 1.8 4.5 47 31 A 5 LEU H A 4 GLU HA 1.0 1.8 4.0 48 32 A 5 LEU H A 4 GLU HBx 1.0 1.8 4.5 49 32 A 5 LEU H A 4 GLU HBy 1.0 1.8 4.5 50 33 A 5 LEU H A 4 GLU HGy 1.0 1.8 5.5 51 33 A 5 LEU H A 4 GLU HGx 1.0 1.8 5.5 52 34 A 6 GLN H A 4 GLU HA 1.0 1.8 5.0 53 35 A 7 CYS H A 4 GLU HA 1.0 1.8 4.0 54 36 A 4 GLU HA A 8 ILE H 1.0 1.8 5.0 55 37 A 4 GLU HA A 4 GLU HGy 1.0 1.8 4.0 56 37 A 4 GLU HA A 4 GLU HGx 1.0 1.8 4.0 57 38 A 4 GLU HA A 7 CYS HB% 1.0 1.8 4.5 58 39 A 5 LEU H A 6 GLN H 1.0 1.8 3.0 59 40 A 5 LEU H A 7 CYS H 1.0 1.8 5.0 60 41 A 5 LEU H A 5 LEU HA 1.0 1.8 4.0 61 42 A 5 LEU H A 5 LEU HBx 1.0 1.8 3.5 62 42 A 5 LEU HBy A 5 LEU H 1.0 1.8 3.5 63 43 A 6 GLN H A 5 LEU HA 1.0 1.8 4.0 64 44 A 6 GLN H A 5 LEU HBx 1.0 1.8 4.5 65 44 A 5 LEU HBy A 6 GLN H 1.0 1.8 4.5 66 45 A 7 CYS H A 5 LEU HA 1.0 1.8 5.0 67 46 A 8 ILE H A 5 LEU HA 1.0 1.8 4.0 68 47 A 5 LEU HA A 9 ARG H 1.0 1.8 5.0 69 48 A 5 LEU HA A 5 LEU HD2% 1.0 1.8 4.0 70 49 A 5 LEU HA A 8 ILE HB 1.0 1.8 4.0 71 50 A 5 LEU HA A 8 ILE HG1y 1.0 1.8 5.0 72 50 A 5 LEU HA A 8 ILE HG1x 1.0 1.8 5.0 73 51 A 5 LEU HA A 8 ILE HG2% 1.0 1.8 5.0 74 52 A 5 LEU HA A 8 ILE HD1% 1.0 1.8 5.0 75 53 A 5 LEU HD2% A 8 ILE HG1y 1.0 1.8 5.5 76 53 A 5 LEU HD2% A 8 ILE HG1x 1.0 1.8 5.5 77 54 A 6 GLN H A 7 CYS H 1.0 1.8 3.0 78 55 A 6 GLN H A 8 ILE H 1.0 1.8 5.0 79 56 A 6 GLN H A 6 GLN HA 1.0 1.8 4.0 80 57 A 6 GLN H A 6 GLN HBx 1.0 1.8 3.5 81 57 A 6 GLN H A 6 GLN HBy 1.0 1.8 3.5 82 58 A 6 GLN HBx A 6 GLN HE2y 1.0 1.8 5.5 83 58 A 6 GLN HBy A 6 GLN HE2y 1.0 1.8 5.5 84 58 A 6 GLN HE2x A 6 GLN HBx 1.0 1.8 5.5 85 58 A 6 GLN HBy A 6 GLN HE2x 1.0 1.8 5.5 86 59 A 7 CYS H A 6 GLN HA 1.0 1.8 4.0 87 60 A 7 CYS H A 6 GLN HBx 1.0 1.8 4.0 88 60 A 7 CYS H A 6 GLN HBy 1.0 1.8 4.0 89 61 A 7 CYS H A 6 GLN HGx 1.0 1.8 5.5 90 61 A 7 CYS H A 6 GLN HGy 1.0 1.8 5.5 91 62 A 8 ILE H A 6 GLN HA 1.0 1.8 5.0 92 63 A 9 ARG H A 6 GLN HA 1.0 1.8 4.0 93 64 A 6 GLN HA A 10 GLU H 1.0 1.8 5.0 94 65 A 6 GLN HA A 6 GLN HGx 1.0 1.8 4.0 95 65 A 6 GLN HA A 6 GLN HGy 1.0 1.8 4.0 96 66 A 6 GLN HA A 9 ARG HBx 1.0 1.8 4.0 97 66 A 6 GLN HA A 9 ARG HBy 1.0 1.8 4.0 98 67 A 7 CYS HA A 6 GLN HBx 1.0 1.8 5.0 99 67 A 6 GLN HBy A 7 CYS HA 1.0 1.8 5.0 100 68 A 7 CYS H A 8 ILE H 1.0 1.8 3.0 101 69 A 7 CYS H A 9 ARG H 1.0 1.8 5.0 102 70 A 7 CYS H A 7 CYS HA 1.0 1.8 3.5 103 71 A 8 ILE H A 7 CYS HA 1.0 1.8 4.0 104 72 A 9 ARG H A 7 CYS HA 1.0 1.8 5.0 105 73 A 10 GLU H A 7 CYS HA 1.0 1.8 4.0 106 74 A 7 CYS HA A 11 CYS H 1.0 1.8 5.0 107 75 A 7 CYS HA A 10 GLU HBx 1.0 1.8 4.5 108 75 A 7 CYS HA A 10 GLU HBy 1.0 1.8 4.5 109 76 A 8 ILE H A 9 ARG H 1.0 1.8 3.0 110 77 A 8 ILE H A 10 GLU H 1.0 1.8 5.0 111 78 A 8 ILE H A 8 ILE HA 1.0 1.8 4.0 112 79 A 8 ILE H A 8 ILE HB 1.0 1.8 3.5 113 80 A 8 ILE H A 8 ILE HG1y 1.0 1.8 4.0 114 80 A 8 ILE H A 8 ILE HG1x 1.0 1.8 4.0 115 81 A 8 ILE H A 8 ILE HG2% 1.0 1.8 5.0 116 82 A 9 ARG H A 8 ILE HA 1.0 1.8 4.0 117 83 A 9 ARG H A 8 ILE HG2% 1.0 1.8 5.0 118 84 A 10 GLU H A 8 ILE HA 1.0 1.8 5.0 119 85 A 8 ILE HG2% A 10 GLU H 1.0 1.8 6.0 120 86 A 11 CYS H A 8 ILE HA 1.0 1.8 4.0 121 87 A 8 ILE HG2% A 11 CYS H 1.0 1.8 6.0 122 88 A 8 ILE HA A 12 ARG H 1.0 1.8 5.0 123 89 A 8 ILE HG2% A 12 ARG H 1.0 1.8 5.5 124 90 A 8 ILE HA A 8 ILE HG1y 1.0 1.8 4.0 125 90 A 8 ILE HG1x A 8 ILE HA 1.0 1.8 4.0 126 91 A 8 ILE HG2% A 8 ILE HA 1.0 1.8 4.0 127 92 A 8 ILE HD1% A 8 ILE HA 1.0 1.8 5.5 128 93 A 8 ILE HA A 11 CYS HB% 1.0 1.8 4.5 129 94 A 9 ARG H A 10 GLU H 1.0 1.8 3.0 130 95 A 9 ARG H A 11 CYS H 1.0 1.8 5.0 131 96 A 9 ARG H A 9 ARG HA 1.0 1.8 4.0 132 97 A 9 ARG H A 9 ARG HBx 1.0 1.8 3.5 133 97 A 9 ARG H A 9 ARG HBy 1.0 1.8 3.5 134 98 A 9 ARG H A 9 ARG HGx 1.0 1.8 4.0 135 98 A 9 ARG H A 9 ARG HGy 1.0 1.8 4.0 136 99 A 9 ARG H A 9 ARG HDx 1.0 1.8 6.0 137 99 A 9 ARG H A 9 ARG HDy 1.0 1.8 6.0 138 100 A 10 GLU H A 9 ARG HA 1.0 1.8 4.0 139 101 A 10 GLU H A 9 ARG HBx 1.0 1.8 4.0 140 101 A 10 GLU H A 9 ARG HBy 1.0 1.8 4.0 141 102 A 10 GLU H A 9 ARG HGx 1.0 1.8 5.0 142 103 A 10 GLU H A 9 ARG HGy 1.0 1.8 5.0 143 104 A 10 GLU H A 9 ARG HGx 1.0 1.8 4.5 144 104 A 10 GLU H A 9 ARG HGy 1.0 1.8 4.5 145 105 A 10 GLU H A 9 ARG HDx 1.0 1.8 6.0 146 105 A 10 GLU H A 9 ARG HDy 1.0 1.8 6.0 147 106 A 11 CYS H A 9 ARG HA 1.0 1.8 5.0 148 107 A 12 ARG H A 9 ARG HA 1.0 1.8 4.0 149 108 A 9 ARG HA A 13 LEU H 1.0 1.8 5.0 150 109 A 9 ARG HA A 9 ARG HGx 1.0 1.8 4.0 151 109 A 9 ARG HA A 9 ARG HGy 1.0 1.8 4.0 152 110 A 9 ARG HA A 9 ARG HDx 1.0 1.8 5.0 153 110 A 9 ARG HA A 9 ARG HDy 1.0 1.8 5.0 154 111 A 9 ARG HA A 12 ARG HBx 1.0 1.8 4.5 155 111 A 9 ARG HA A 12 ARG HBy 1.0 1.8 4.5 156 112 A 10 GLU H A 11 CYS H 1.0 1.8 3.0 157 113 A 10 GLU H A 12 ARG H 1.0 1.8 5.0 158 114 A 10 GLU H A 10 GLU HA 1.0 1.8 4.0 159 115 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.5 160 115 A 10 GLU H A 10 GLU HBy 1.0 1.8 3.5 161 116 A 10 GLU H A 10 GLU HGx 1.0 1.8 4.0 162 117 A 10 GLU H A 10 GLU HGy 1.0 1.8 4.0 163 118 A 11 CYS H A 10 GLU HA 1.0 1.8 4.0 164 119 A 11 CYS H A 10 GLU HBx 1.0 1.8 4.0 165 119 A 11 CYS H A 10 GLU HBy 1.0 1.8 4.0 166 120 A 11 CYS H A 10 GLU HGy 1.0 1.8 5.5 167 120 A 11 CYS H A 10 GLU HGx 1.0 1.8 5.5 168 121 A 12 ARG H A 10 GLU HA 1.0 1.8 5.0 169 122 A 13 LEU H A 10 GLU HA 1.0 1.8 4.0 170 123 A 10 GLU HA A 14 ALA H 1.0 1.8 5.0 171 124 A 10 GLU HA A 10 GLU HGy 1.0 1.8 3.5 172 124 A 10 GLU HA A 10 GLU HGx 1.0 1.8 3.5 173 125 A 10 GLU HA A 13 LEU HBy 1.0 1.8 4.5 174 125 A 10 GLU HA A 13 LEU HBx 1.0 1.8 4.5 175 126 A 11 CYS H A 12 ARG H 1.0 1.8 3.0 176 127 A 11 CYS H A 13 LEU H 1.0 1.8 5.0 177 128 A 11 CYS H A 11 CYS HA 1.0 1.8 4.0 178 129 A 12 ARG H A 11 CYS HA 1.0 1.8 4.0 179 130 A 13 LEU H A 11 CYS HA 1.0 1.8 5.0 180 131 A 14 ALA H A 11 CYS HA 1.0 1.8 4.0 181 132 A 11 CYS HA A 15 GLN H 1.0 1.8 5.5 182 133 A 11 CYS HA A 14 ALA HB% 1.0 1.8 4.0 183 134 A 12 ARG H A 13 LEU H 1.0 1.8 3.0 184 135 A 12 ARG H A 14 ALA H 1.0 1.8 5.0 185 136 A 12 ARG H A 12 ARG HA 1.0 1.8 4.0 186 137 A 12 ARG H A 12 ARG HBx 1.0 1.8 3.5 187 137 A 12 ARG H A 12 ARG HBy 1.0 1.8 3.5 188 138 A 12 ARG H A 12 ARG HGx 1.0 1.8 4.5 189 138 A 12 ARG H A 12 ARG HGy 1.0 1.8 4.5 190 139 A 12 ARG H A 12 ARG HDx 1.0 1.8 6.0 191 139 A 12 ARG H A 12 ARG HDy 1.0 1.8 6.0 192 140 A 13 LEU H A 12 ARG HA 1.0 1.8 4.0 193 141 A 13 LEU H A 12 ARG HDx 1.0 1.8 6.0 194 141 A 13 LEU H A 12 ARG HDy 1.0 1.8 6.0 195 142 A 14 ALA H A 12 ARG HA 1.0 1.8 5.0 196 143 A 15 GLN H A 12 ARG HA 1.0 1.8 4.5 197 144 A 15 GLN H A 12 ARG HGx 1.0 1.8 6.0 198 144 A 15 GLN H A 12 ARG HGy 1.0 1.8 6.0 199 145 A 12 ARG HA A 12 ARG HDx 1.0 1.8 4.5 200 145 A 12 ARG HA A 12 ARG HDy 1.0 1.8 4.5 201 146 A 12 ARG HA A 15 GLN HBx 1.0 1.8 4.5 202 146 A 12 ARG HA A 15 GLN HBy 1.0 1.8 4.5 203 147 A 13 LEU HD1% A 12 ARG HDx 1.0 1.8 6.0 204 147 A 12 ARG HDy A 13 LEU HD1% 1.0 1.8 6.0 205 148 A 13 LEU H A 14 ALA H 1.0 1.8 3.0 206 149 A 13 LEU H A 15 GLN H 1.0 1.8 5.0 207 150 A 13 LEU H A 13 LEU HA 1.0 1.8 4.0 208 151 A 13 LEU H A 13 LEU HBy 1.0 1.8 3.5 209 151 A 13 LEU H A 13 LEU HBx 1.0 1.8 3.5 210 152 A 13 LEU H A 13 LEU HD1% 1.0 1.8 5.5 211 153 A 14 ALA H A 13 LEU HA 1.0 1.8 4.0 212 154 A 15 GLN H A 13 LEU HA 1.0 1.8 5.5 213 155 A 13 LEU HD1% A 14 ALA HA 1.0 1.8 5.0 214 156 A 14 ALA H A 15 GLN H 1.0 1.8 3.0 215 157 A 14 ALA H A 14 ALA HA 1.0 1.8 4.0 216 158 A 14 ALA H A 14 ALA HB% 1.0 1.8 3.5 217 159 A 15 GLN H A 14 ALA HA 1.0 1.8 4.0 218 160 A 15 GLN H A 14 ALA HB% 1.0 1.8 4.5 219 161 A 14 ALA HB% A 14 ALA HA 1.0 1.8 3.5 220 162 A 15 GLN H A 15 GLN HA 1.0 1.8 4.0 221 163 A 15 GLN H A 15 GLN HBx 1.0 1.8 4.0 222 163 A 15 GLN H A 15 GLN HBy 1.0 1.8 4.0 223 164 A 15 GLN H A 15 GLN HGx 1.0 1.8 5.0 224 164 A 15 GLN H A 15 GLN HGy 1.0 1.8 5.0 225 165 A 15 GLN HA A 15 GLN HGx 1.0 1.8 4.0 226 165 A 15 GLN HA A 15 GLN HGy 1.0 1.8 4.0 227 166 A 16 LEU HA A 16 LEU H 1.0 1.8 4.0 228 167 A 16 LEU H A 16 LEU HD1% 1.0 1.8 5.5 229 167 A 16 LEU H A 16 LEU HD2% 1.0 1.8 5.5 230 168 A 16 LEU HBx A 16 LEU HD1% 1.0 1.8 4.0 231 168 A 16 LEU HBy A 16 LEU HD1% 1.0 1.8 4.0 232 169 A 17 LYS H A 18 ASN H 1.0 1.8 5.0 233 170 A 17 LYS H A 17 LYS HA 1.0 1.8 4.0 234 171 A 17 LYS H A 17 LYS HGx 1.0 1.8 4.5 235 171 A 17 LYS H A 17 LYS HGy 1.0 1.8 4.5 236 172 A 18 ASN H A 17 LYS HBx 1.0 1.8 5.5 237 172 A 18 ASN H A 17 LYS HBy 1.0 1.8 5.5 238 173 A 18 ASN H A 18 ASN HA 1.0 1.8 4.0 239 174 A 19 ASN HA A 19 ASN H 1.0 1.8 4.0 240 175 A 20 SER HA A 20 SER H 1.0 1.8 4.0 241 176 A 20 SER H A 20 SER HBx 1.0 1.8 4.0 242 176 A 20 SER H A 20 SER HBy 1.0 1.8 4.0 243 177 A 20 SER HA A 21 GLY H 1.0 1.8 4.0 244 178 A 21 GLY H A 21 GLY HAx 1.0 1.8 3.5 245 178 A 21 GLY H A 21 GLY HAy 1.0 1.8 3.5 246 179 A 22 GLY H A 22 GLY HAx 1.0 1.8 3.5 247 179 A 22 GLY HAy A 22 GLY H 1.0 1.8 3.5 248 180 A 23 THR H A 22 GLY HAx 1.0 1.8 4.5 249 180 A 22 GLY HAy A 23 THR H 1.0 1.8 4.5 250 181 A 23 THR HG2% A 22 GLY HAx 1.0 1.8 5.5 251 181 A 22 GLY HAy A 23 THR HG2% 1.0 1.8 5.5 252 182 A 23 THR HA A 22 GLY HAx 1.0 1.8 4.0 253 182 A 22 GLY HAy A 23 THR HA 1.0 1.8 4.0 254 183 A 22 GLY HAx A 27 ARG HGx 1.0 1.8 6.0 255 183 A 22 GLY HAy A 27 ARG HGx 1.0 1.8 6.0 256 183 A 27 ARG HGy A 22 GLY HAx 1.0 1.8 6.0 257 183 A 22 GLY HAy A 27 ARG HGy 1.0 1.8 6.0 258 184 A 22 GLY HAx A 27 ARG HDx 1.0 1.8 5.5 259 184 A 22 GLY HAy A 27 ARG HDx 1.0 1.8 5.5 260 184 A 27 ARG HDy A 22 GLY HAx 1.0 1.8 5.5 261 184 A 22 GLY HAy A 27 ARG HDy 1.0 1.8 5.5 262 185 A 23 THR H A 23 THR HG2% 1.0 1.8 6.0 263 186 A 23 THR HG2% A 23 THR HA 1.0 1.8 4.0 264 187 A 23 THR HA A 24 ASN HBx 1.0 1.8 6.0 265 187 A 23 THR HA A 24 ASN HBy 1.0 1.8 6.0 266 188 A 25 GLY H A 25 GLY HAx 1.0 1.8 3.5 267 188 A 25 GLY HAy A 25 GLY H 1.0 1.8 3.5 268 189 A 26 ASP H A 25 GLY HAx 1.0 1.8 4.0 269 189 A 25 GLY HAy A 26 ASP H 1.0 1.8 4.0 270 190 A 26 ASP H A 26 ASP HA 1.0 1.8 4.0 271 191 A 26 ASP H A 26 ASP HBy 1.0 1.8 4.5 272 191 A 26 ASP H A 26 ASP HBx 1.0 1.8 4.5 273 192 A 26 ASP HA A 27 ARG H 1.0 1.8 4.0 274 193 A 27 ARG H A 27 ARG HA 1.0 1.8 4.0 275 194 A 27 ARG H A 27 ARG HBy 1.0 1.8 4.5 276 194 A 27 ARG H A 27 ARG HBx 1.0 1.8 4.5 277 195 A 27 ARG HA A 27 ARG HGx 1.0 1.8 3.5 278 195 A 27 ARG HGy A 27 ARG HA 1.0 1.8 3.5 279 196 A 27 ARG HA A 27 ARG HDx 1.0 1.8 5.0 280 196 A 27 ARG HDy A 27 ARG HA 1.0 1.8 5.0 281 197 A 28 ASN HA A 28 ASN H 1.0 1.8 4.0 282 198 A 29 SER HA A 29 SER H 1.0 1.8 4.0 283 199 A 30 GLY H A 30 GLY HAx 1.0 1.8 3.5 284 199 A 30 GLY HAy A 30 GLY H 1.0 1.8 3.5 285 200 A 31 ALA HA A 31 ALA H 1.0 1.8 4.0 286 201 A 31 ALA H A 31 ALA HB% 1.0 1.8 3.5 287 202 A 31 ALA HA A 32 ASN H 1.0 1.8 4.0 288 203 A 31 ALA HA A 31 ALA HB% 1.0 1.8 3.5 289 204 A 34 GLY H A 34 GLY HAx 1.0 1.8 4.0 290 204 A 34 GLY HAy A 34 GLY H 1.0 1.8 4.0 291 205 A 35 GLY H A 34 GLY HAx 1.0 1.8 3.5 292 205 A 34 GLY HAy A 35 GLY H 1.0 1.8 3.5 293 206 A 35 GLY H A 35 GLY HAx 1.0 1.8 3.5 294 206 A 35 GLY H A 35 GLY HAy 1.0 1.8 3.5 295 207 A 36 GLY H A 36 GLY HAx 1.0 1.8 3.5 296 207 A 36 GLY HAy A 36 GLY H 1.0 1.8 3.5 297 208 A 37 GLU H A 36 GLY HAx 1.0 1.8 3.5 298 208 A 36 GLY HAy A 37 GLU H 1.0 1.8 3.5 299 209 A 37 GLU HA A 36 GLY HAx 1.0 1.8 5.0 300 209 A 36 GLY HAy A 37 GLU HA 1.0 1.8 5.0 301 210 A 37 GLU H A 37 GLU HA 1.0 1.8 4.0 302 211 A 37 GLU H A 37 GLU HBx 1.0 1.8 4.0 303 212 A 37 GLU H A 37 GLU HBy 1.0 1.8 4.0 304 213 A 37 GLU H A 37 GLU HBy 1.0 1.8 3.5 305 213 A 37 GLU H A 37 GLU HBx 1.0 1.8 3.5 306 214 A 37 GLU H A 37 GLU HGx 1.0 1.8 5.0 307 214 A 37 GLU H A 37 GLU HGy 1.0 1.8 5.0 308 215 A 37 GLU HA A 38 ASN H 1.0 1.8 3.5 309 216 A 38 ASN H A 39 SER H 1.0 1.8 5.0 310 217 A 38 ASN H A 38 ASN HBy 1.0 1.8 4.5 311 218 A 38 ASN H A 38 ASN HBx 1.0 1.8 4.5 312 219 A 38 ASN H A 38 ASN HBy 1.0 1.8 4.0 313 219 A 38 ASN H A 38 ASN HBx 1.0 1.8 4.0 314 220 A 39 SER H A 39 SER HA 1.0 1.8 4.0 315 221 A 39 SER H A 39 SER HBx 1.0 1.8 3.5 316 221 A 39 SER H A 39 SER HBy 1.0 1.8 3.5 317 222 A 39 SER HA A 40 ALA H 1.0 1.8 4.0 318 223 A 40 ALA H A 39 SER HBx 1.0 1.8 4.0 319 223 A 39 SER HBy A 40 ALA H 1.0 1.8 4.0 320 224 A 39 SER HA A 39 SER HBx 1.0 1.8 3.5 321 224 A 39 SER HA A 39 SER HBy 1.0 1.8 3.5 322 225 A 40 ALA H A 40 ALA HA 1.0 1.8 4.0 323 226 A 40 ALA H A 40 ALA HB% 1.0 1.8 3.5 324 227 A 40 ALA HA A 40 ALA HB% 1.0 1.8 3.5 325 228 A 40 ALA HA A 41 PRO HBy 1.0 1.8 5.5 326 228 A 40 ALA HA A 41 PRO HBx 1.0 1.8 5.5 327 229 A 40 ALA HA A 41 PRO HGx 1.0 1.8 4.5 328 229 A 40 ALA HA A 41 PRO HGy 1.0 1.8 4.5 329 230 A 40 ALA HA A 41 PRO HDx 1.0 1.8 3.5 330 231 A 40 ALA HA A 41 PRO HDy 1.0 1.8 3.5 331 232 A 40 ALA HB% A 41 PRO HA 1.0 1.8 5.0 332 233 A 40 ALA HB% A 41 PRO HGx 1.0 1.8 5.5 333 233 A 40 ALA HB% A 41 PRO HGy 1.0 1.8 5.5 334 234 A 40 ALA HB% A 41 PRO HDx 1.0 1.8 4.0 335 235 A 40 ALA HB% A 41 PRO HDy 1.0 1.8 4.0 336 236 A 40 ALA H A 41 PRO HDy 1.0 1.8 5.0 337 236 A 40 ALA H A 41 PRO HDx 1.0 1.8 5.0 338 237 A 41 PRO HA A 42 VAL H 1.0 1.8 4.0 339 238 A 42 VAL H A 41 PRO HBy 1.0 1.8 4.0 340 238 A 41 PRO HBx A 42 VAL H 1.0 1.8 4.0 341 239 A 42 VAL H A 41 PRO HGx 1.0 1.8 5.0 342 239 A 41 PRO HGy A 42 VAL H 1.0 1.8 5.0 343 240 A 41 PRO HA A 41 PRO HDx 1.0 1.8 4.5 344 241 A 41 PRO HA A 41 PRO HDy 1.0 1.8 4.5 345 242 A 41 PRO HA A 41 PRO HDy 1.0 1.8 4.0 346 242 A 41 PRO HA A 41 PRO HDx 1.0 1.8 4.0 347 243 A 41 PRO HA A 41 PRO HGx 1.0 1.8 3.5 348 243 A 41 PRO HGy A 41 PRO HA 1.0 1.8 3.5 349 244 A 41 PRO HA A 42 VAL HG1% 1.0 1.8 5.0 350 245 A 41 PRO HA A 42 VAL HG2% 1.0 1.8 6.0 351 246 A 41 PRO HA A 44 ALA HB% 1.0 1.8 5.0 352 247 A 44 ALA HB% A 41 PRO HBy 1.0 1.8 5.5 353 247 A 41 PRO HBx A 44 ALA HB% 1.0 1.8 5.5 354 248 A 44 ALA HB% A 41 PRO HGx 1.0 1.8 5.5 355 248 A 41 PRO HGy A 44 ALA HB% 1.0 1.8 5.5 356 249 A 42 VAL H A 43 GLY H 1.0 1.8 5.0 357 250 A 42 VAL H A 42 VAL HA 1.0 1.8 3.5 358 251 A 42 VAL H A 42 VAL HG1% 1.0 1.8 4.0 359 252 A 42 VAL H A 42 VAL HG2% 1.0 1.8 5.0 360 253 A 43 GLY H A 42 VAL HA 1.0 1.8 3.5 361 254 A 43 GLY H A 42 VAL HB 1.0 1.8 5.0 362 255 A 42 VAL HG1% A 43 GLY H 1.0 1.8 5.5 363 256 A 42 VAL HG2% A 43 GLY H 1.0 1.8 4.5 364 257 A 42 VAL HG1% A 42 VAL HA 1.0 1.8 4.0 365 258 A 42 VAL HG2% A 42 VAL HA 1.0 1.8 3.5 366 259 A 42 VAL HA A 45 ALA HB% 1.0 1.8 5.0 367 260 A 42 VAL HG1% A 43 GLY HAx 1.0 1.8 5.0 368 260 A 42 VAL HG1% A 43 GLY HAy 1.0 1.8 5.0 369 261 A 42 VAL HG2% A 43 GLY HAx 1.0 1.8 5.0 370 261 A 42 VAL HG2% A 43 GLY HAy 1.0 1.8 5.0 371 262 A 43 GLY H A 44 ALA H 1.0 1.8 4.0 372 263 A 43 GLY H A 45 ALA H 1.0 1.8 5.5 373 264 A 43 GLY H A 43 GLY HAx 1.0 1.8 3.5 374 264 A 43 GLY H A 43 GLY HAy 1.0 1.8 3.5 375 265 A 44 ALA H A 43 GLY HAx 1.0 1.8 3.5 376 265 A 43 GLY HAy A 44 ALA H 1.0 1.8 3.5 377 266 A 45 ALA H A 43 GLY HAx 1.0 1.8 5.5 378 266 A 43 GLY HAy A 45 ALA H 1.0 1.8 5.5 379 267 A 46 ILE H A 43 GLY HAx 1.0 1.8 5.5 380 268 A 43 GLY HAy A 46 ILE H 1.0 1.8 5.5 381 269 A 46 ILE H A 43 GLY HAx 1.0 1.8 5.0 382 269 A 43 GLY HAy A 46 ILE H 1.0 1.8 5.0 383 270 A 47 ALA H A 43 GLY HAx 1.0 1.8 6.0 384 270 A 43 GLY HAy A 47 ALA H 1.0 1.8 6.0 385 271 A 46 ILE HB A 43 GLY HAx 1.0 1.8 5.0 386 271 A 43 GLY HAy A 46 ILE HB 1.0 1.8 5.0 387 272 A 43 GLY HAy A 46 ILE HG1y 1.0 1.8 4.5 388 272 A 43 GLY HAx A 46 ILE HG1y 1.0 1.8 4.5 389 272 A 46 ILE HG1x A 43 GLY HAx 1.0 1.8 4.5 390 272 A 43 GLY HAy A 46 ILE HG1x 1.0 1.8 4.5 391 273 A 46 ILE HD1% A 43 GLY HAx 1.0 1.8 5.0 392 273 A 43 GLY HAy A 46 ILE HD1% 1.0 1.8 5.0 393 274 A 44 ALA H A 45 ALA H 1.0 1.8 3.5 394 275 A 44 ALA H A 46 ILE H 1.0 1.8 5.5 395 276 A 44 ALA H A 44 ALA HA 1.0 1.8 4.0 396 277 A 44 ALA HB% A 44 ALA H 1.0 1.8 3.5 397 278 A 45 ALA H A 44 ALA HA 1.0 1.8 4.0 398 279 A 44 ALA HB% A 45 ALA H 1.0 1.8 4.0 399 280 A 46 ILE H A 44 ALA HA 1.0 1.8 5.0 400 281 A 47 ALA H A 44 ALA HA 1.0 1.8 5.0 401 282 A 44 ALA HB% A 48 ASN HD2x 1.0 1.8 6.0 402 282 A 44 ALA HB% A 48 ASN HD2y 1.0 1.8 6.0 403 283 A 44 ALA HB% A 44 ALA HA 1.0 1.8 3.5 404 284 A 44 ALA HA A 47 ALA HB% 1.0 1.8 4.0 405 285 A 44 ALA HB% A 45 ALA HA 1.0 1.8 4.5 406 286 A 45 ALA H A 46 ILE H 1.0 1.8 3.5 407 287 A 45 ALA H A 47 ALA H 1.0 1.8 5.0 408 288 A 43 GLY H A 45 ALA HB% 1.0 1.8 5.5 409 289 A 45 ALA H A 45 ALA HA 1.0 1.8 4.0 410 290 A 45 ALA HB% A 45 ALA H 1.0 1.8 3.5 411 291 A 46 ILE H A 45 ALA HA 1.0 1.8 4.0 412 292 A 45 ALA HB% A 46 ILE H 1.0 1.8 4.0 413 293 A 47 ALA H A 45 ALA HA 1.0 1.8 5.0 414 294 A 45 ALA HA A 48 ASN H 1.0 1.8 5.5 415 295 A 42 VAL H A 45 ALA HB% 1.0 1.8 5.5 416 296 A 45 ALA HB% A 45 ALA HA 1.0 1.8 3.5 417 297 A 46 ILE H A 47 ALA H 1.0 1.8 3.0 418 298 A 46 ILE H A 48 ASN H 1.0 1.8 5.5 419 299 A 46 ILE H A 46 ILE HA 1.0 1.8 4.0 420 300 A 46 ILE H A 46 ILE HB 1.0 1.8 4.5 421 301 A 46 ILE H A 46 ILE HG1y 1.0 1.8 4.0 422 301 A 46 ILE H A 46 ILE HG1x 1.0 1.8 4.0 423 302 A 47 ALA H A 46 ILE HA 1.0 1.8 4.0 424 303 A 47 ALA H A 46 ILE HB 1.0 1.8 5.0 425 304 A 47 ALA H A 46 ILE HG1y 1.0 1.8 5.0 426 304 A 47 ALA H A 46 ILE HG1x 1.0 1.8 5.0 427 305 A 47 ALA H A 46 ILE HG2% 1.0 1.8 5.5 428 306 A 47 ALA H A 46 ILE HD1% 1.0 1.8 5.5 429 307 A 48 ASN H A 46 ILE HA 1.0 1.8 5.0 430 308 A 46 ILE HB A 49 PHE H 1.0 1.8 5.0 431 309 A 46 ILE HG1x A 46 ILE HA 1.0 1.8 4.5 432 310 A 46 ILE HA A 46 ILE HG1y 1.0 1.8 4.5 433 311 A 46 ILE HA A 46 ILE HG1y 1.0 1.8 4.0 434 311 A 46 ILE HG1x A 46 ILE HA 1.0 1.8 4.0 435 312 A 46 ILE HA A 46 ILE HG2% 1.0 1.8 4.0 436 313 A 46 ILE HD1% A 46 ILE HA 1.0 1.8 5.5 437 314 A 46 ILE HG2% A 46 ILE HG1y 1.0 1.8 4.0 438 314 A 46 ILE HG1x A 46 ILE HG2% 1.0 1.8 4.0 439 315 A 46 ILE HA A 49 PHE HBx 1.0 1.8 5.0 440 316 A 46 ILE HA A 49 PHE HBy 1.0 1.8 5.0 441 317 A 46 ILE HA A 49 PHE HBx 1.0 1.8 4.5 442 317 A 46 ILE HA A 49 PHE HBy 1.0 1.8 4.5 443 318 A 46 ILE HA A 49 PHE HD% 1.0 1.8 5.0 444 319 A 46 ILE HB A 49 PHE HBx 1.0 1.8 5.0 445 319 A 46 ILE HB A 49 PHE HBy 1.0 1.8 5.0 446 320 A 46 ILE HG2% A 49 PHE HBx 1.0 1.8 5.5 447 321 A 46 ILE HG2% A 49 PHE HBy 1.0 1.8 5.5 448 322 A 46 ILE HG2% A 49 PHE HBx 1.0 1.8 5.0 449 322 A 46 ILE HG2% A 49 PHE HBy 1.0 1.8 5.0 450 323 A 46 ILE HG2% A 49 PHE HD% 1.0 1.8 5.5 451 324 A 46 ILE HB A 76 LEU HD2% 1.0 1.8 4.0 452 325 A 46 ILE HG2% A 77 LYS HA 1.0 1.8 5.0 453 326 A 46 ILE HD1% A 77 LYS HBx 1.0 1.8 5.5 454 326 A 46 ILE HD1% A 77 LYS HBy 1.0 1.8 5.5 455 327 A 46 ILE HD1% A 77 LYS HDx 1.0 1.8 5.5 456 327 A 46 ILE HD1% A 77 LYS HDy 1.0 1.8 5.5 457 328 A 46 ILE HD1% A 77 LYS HEx 1.0 1.8 6.0 458 328 A 46 ILE HD1% A 77 LYS HEy 1.0 1.8 6.0 459 329 A 46 ILE HA A 80 ILE HD1% 1.0 1.8 5.5 460 330 A 46 ILE HB A 80 ILE HD1% 1.0 1.8 5.5 461 331 A 46 ILE HG2% A 80 ILE HD1% 1.0 1.8 4.5 462 332 A 46 ILE HD1% A 80 ILE HD1% 1.0 1.8 5.5 463 333 A 46 ILE HG2% A 77 LYS HBx 1.0 1.8 5.0 464 333 A 46 ILE HG2% A 77 LYS HBy 1.0 1.8 5.0 465 334 A 47 ALA H A 48 ASN H 1.0 1.8 4.0 466 335 A 47 ALA H A 49 PHE H 1.0 1.8 5.5 467 336 A 47 ALA H A 47 ALA HA 1.0 1.8 4.0 468 337 A 47 ALA H A 47 ALA HB% 1.0 1.8 3.5 469 338 A 48 ASN H A 47 ALA HA 1.0 1.8 4.5 470 339 A 47 ALA HB% A 48 ASN H 1.0 1.8 4.5 471 340 A 47 ALA HB% A 49 PHE H 1.0 1.8 5.5 472 341 A 47 ALA HA A 50 LEU H 1.0 1.8 5.0 473 342 A 47 ALA HB% A 47 ALA HA 1.0 1.5 3.2 474 343 A 47 ALA HA A 50 LEU HBy 1.0 1.8 4.0 475 343 A 47 ALA HA A 50 LEU HBx 1.0 1.8 4.0 476 344 A 47 ALA HA A 55 LEU HD1% 1.0 1.8 4.5 477 345 A 47 ALA HB% A 55 LEU HD1% 1.0 1.8 4.5 478 346 A 76 LEU HD2% A 47 ALA HA 1.0 1.8 5.5 479 347 A 47 ALA HB% A 48 ASN HBx 1.0 1.8 5.5 480 347 A 47 ALA HB% A 48 ASN HBy 1.0 1.8 5.5 481 348 A 48 ASN H A 49 PHE H 1.0 1.8 3.0 482 349 A 48 ASN H A 50 LEU H 1.0 1.8 5.0 483 350 A 48 ASN H A 48 ASN HA 1.0 1.8 4.0 484 351 A 48 ASN H A 48 ASN HBx 1.0 1.8 3.5 485 351 A 48 ASN H A 48 ASN HBy 1.0 1.8 3.5 486 352 A 48 ASN H A 48 ASN HD2y 1.0 1.8 5.5 487 353 A 48 ASN H A 48 ASN HD2x 1.0 1.8 5.5 488 354 A 48 ASN H A 48 ASN HD2y 1.0 1.8 5.0 489 354 A 48 ASN H A 48 ASN HD2x 1.0 1.8 5.0 490 355 A 48 ASN HA A 48 ASN HD2y 1.0 1.8 5.5 491 356 A 48 ASN HA A 48 ASN HD2x 1.0 1.8 5.5 492 357 A 48 ASN HD2y A 48 ASN HBx 1.0 1.8 4.5 493 357 A 48 ASN HBy A 48 ASN HD2y 1.0 1.8 4.5 494 358 A 48 ASN HD2x A 48 ASN HBx 1.0 1.8 4.5 495 358 A 48 ASN HBy A 48 ASN HD2x 1.0 1.8 4.5 496 359 A 49 PHE H A 48 ASN HD2y 1.0 1.8 6.0 497 359 A 49 PHE H A 48 ASN HD2x 1.0 1.8 6.0 498 360 A 50 LEU H A 48 ASN HBx 1.0 1.8 5.5 499 360 A 50 LEU H A 48 ASN HBy 1.0 1.8 5.5 500 361 A 48 ASN HA A 48 ASN HBx 1.0 1.8 3.5 501 361 A 48 ASN HBy A 48 ASN HA 1.0 1.8 3.5 502 362 A 49 PHE HD% A 48 ASN HBx 1.0 1.8 5.0 503 362 A 49 PHE HD% A 48 ASN HBy 1.0 1.8 5.0 504 363 A 49 PHE HE% A 48 ASN HBx 1.0 1.8 5.5 505 363 A 48 ASN HBy A 49 PHE HE% 1.0 1.8 5.5 506 364 A 49 PHE HA A 48 ASN HBx 1.0 1.8 5.5 507 364 A 48 ASN HBy A 49 PHE HA 1.0 1.8 5.5 508 365 A 49 PHE H A 50 LEU H 1.0 1.8 3.0 509 366 A 48 ASN H A 49 PHE HBx 1.0 1.8 5.5 510 367 A 48 ASN H A 49 PHE HBy 1.0 1.8 5.5 511 368 A 48 ASN H A 49 PHE HD% 1.0 1.8 5.5 512 369 A 49 PHE H A 49 PHE HA 1.0 1.8 4.0 513 370 A 49 PHE H A 49 PHE HBx 1.0 1.8 3.5 514 370 A 49 PHE H A 49 PHE HBy 1.0 1.8 3.5 515 371 A 49 PHE H A 49 PHE HD% 1.0 1.8 5.0 516 372 A 50 LEU H A 49 PHE HA 1.0 1.8 3.5 517 373 A 50 LEU H A 49 PHE HBx 1.0 1.8 5.0 518 374 A 49 PHE HBy A 50 LEU H 1.0 1.8 5.0 519 375 A 50 LEU H A 49 PHE HBx 1.0 1.8 4.5 520 375 A 49 PHE HBy A 50 LEU H 1.0 1.8 4.5 521 376 A 49 PHE HD% A 50 LEU H 1.0 1.8 5.5 522 377 A 49 PHE HA A 89 ILE H 1.0 1.8 5.5 523 378 A 89 ILE H A 49 PHE HBx 1.0 1.8 5.5 524 378 A 49 PHE HBy A 89 ILE H 1.0 1.8 5.5 525 379 A 49 PHE HD% A 89 ILE H 1.0 1.8 6.0 526 380 A 49 PHE HD% A 49 PHE HA 1.0 1.8 4.0 527 381 A 49 PHE HA A 76 LEU HD1% 1.0 1.8 5.5 528 382 A 76 LEU HD1% A 49 PHE HBx 1.0 1.8 5.5 529 383 A 49 PHE HBy A 76 LEU HD1% 1.0 1.8 5.5 530 384 A 76 LEU HD2% A 49 PHE HBx 1.0 1.8 5.0 531 384 A 49 PHE HBy A 76 LEU HD2% 1.0 1.8 5.0 532 385 A 80 ILE HG2% A 49 PHE HBx 1.0 1.8 6.0 533 385 A 49 PHE HBy A 80 ILE HG2% 1.0 1.8 6.0 534 386 A 49 PHE HE% A 80 ILE HG2% 1.0 1.8 5.5 535 387 A 80 ILE HG2% A 49 PHE HZ 1.0 1.8 5.5 536 388 A 80 ILE HD1% A 49 PHE HA 1.0 1.8 6.0 537 389 A 80 ILE HD1% A 49 PHE HBx 1.0 1.8 5.5 538 390 A 49 PHE HBy A 80 ILE HD1% 1.0 1.8 5.5 539 391 A 80 ILE HD1% A 49 PHE HBx 1.0 1.8 5.0 540 391 A 49 PHE HBy A 80 ILE HD1% 1.0 1.8 5.0 541 392 A 49 PHE HD% A 80 ILE HD1% 1.0 1.8 5.5 542 393 A 49 PHE HD% A 85 VAL HG1% 1.0 1.8 5.5 543 394 A 49 PHE HD% A 85 VAL HG2% 1.0 1.8 6.0 544 395 A 49 PHE HE% A 85 VAL HG2% 1.0 1.8 6.0 545 396 A 49 PHE HA A 88 LYS HGx 1.0 1.8 5.5 546 397 A 49 PHE HA A 88 LYS HGy 1.0 1.8 5.5 547 398 A 49 PHE HA A 88 LYS HGy 1.0 1.8 5.0 548 398 A 49 PHE HA A 88 LYS HGx 1.0 1.8 5.0 549 399 A 49 PHE HA A 88 LYS HDx 1.0 1.8 5.5 550 399 A 49 PHE HA A 88 LYS HDy 1.0 1.8 5.5 551 400 A 49 PHE HD% A 89 ILE HD1% 1.0 1.8 6.0 552 401 A 89 ILE HD1% A 49 PHE HBx 1.0 1.8 6.0 553 402 A 49 PHE HBy A 89 ILE HD1% 1.0 1.8 6.0 554 403 A 89 ILE HD1% A 49 PHE HBx 1.0 1.8 5.5 555 403 A 49 PHE HBy A 89 ILE HD1% 1.0 1.8 5.5 556 404 A 49 PHE HA A 50 LEU HD1% 1.0 1.8 5.5 557 405 A 50 LEU HD1% A 49 PHE HBx 1.0 1.8 5.5 558 405 A 49 PHE HBy A 50 LEU HD1% 1.0 1.8 5.5 559 406 A 88 LYS HA A 49 PHE HBx 1.0 1.8 5.5 560 406 A 49 PHE HBy A 88 LYS HA 1.0 1.8 5.5 561 407 A 49 PHE HBy A 89 ILE HG1x 1.0 1.8 6.0 562 407 A 49 PHE HBx A 89 ILE HG1x 1.0 1.8 6.0 563 407 A 89 ILE HG1y A 49 PHE HBx 1.0 1.8 6.0 564 407 A 49 PHE HBy A 89 ILE HG1y 1.0 1.8 6.0 565 408 A 50 LEU H A 51 GLU H 1.0 1.8 5.0 566 409 A 47 ALA H A 50 LEU HD1% 1.0 1.8 5.5 567 410 A 48 ASN H A 50 LEU HD1% 1.0 1.8 6.0 568 411 A 49 PHE H A 50 LEU HD1% 1.0 1.8 5.0 569 412 A 49 PHE H A 50 LEU HBy 1.0 1.8 5.0 570 412 A 49 PHE H A 50 LEU HBx 1.0 1.8 5.0 571 413 A 50 LEU H A 50 LEU HA 1.0 1.8 4.0 572 414 A 50 LEU H A 50 LEU HBx 1.0 1.8 4.0 573 415 A 50 LEU H A 50 LEU HBy 1.0 1.8 4.0 574 416 A 50 LEU H A 50 LEU HBy 1.0 1.8 3.5 575 416 A 50 LEU H A 50 LEU HBx 1.0 1.8 3.5 576 417 A 50 LEU H A 50 LEU HD1% 1.0 1.8 5.0 577 418 A 50 LEU H A 50 LEU HD2% 1.0 1.8 5.5 578 419 A 51 GLU H A 50 LEU HA 1.0 1.8 3.5 579 420 A 51 GLU H A 50 LEU HBy 1.0 1.8 4.0 580 420 A 50 LEU HBx A 51 GLU H 1.0 1.8 4.0 581 421 A 51 GLU H A 50 LEU HG 1.0 1.8 5.0 582 422 A 50 LEU HD1% A 51 GLU H 1.0 1.8 5.5 583 423 A 51 GLU H A 50 LEU HD2% 1.0 1.8 5.5 584 424 A 50 LEU HD2% A 55 LEU H 1.0 1.8 5.5 585 425 A 50 LEU H A 89 ILE H 1.0 1.8 5.5 586 426 A 89 ILE H A 50 LEU HA 1.0 1.8 4.0 587 427 A 50 LEU HA A 50 LEU HG 1.0 1.8 4.0 588 428 A 50 LEU HD1% A 50 LEU HA 1.0 1.8 5.0 589 429 A 50 LEU HA A 50 LEU HD2% 1.0 1.8 4.0 590 430 A 50 LEU HA A 54 ALA HB% 1.0 1.8 5.5 591 431 A 50 LEU HD2% A 72 VAL HB 1.0 1.8 5.5 592 432 A 88 LYS HA A 50 LEU HA 1.0 1.8 5.0 593 433 A 50 LEU HA A 88 LYS HBy 1.0 1.8 5.5 594 433 A 50 LEU HA A 88 LYS HBx 1.0 1.8 5.5 595 434 A 50 LEU HA A 89 ILE HB 1.0 1.8 4.5 596 435 A 50 LEU HA A 89 ILE HG2% 1.0 1.8 5.5 597 436 A 89 ILE HD1% A 50 LEU HA 1.0 1.8 5.5 598 437 A 50 LEU HD2% A 89 ILE HB 1.0 1.8 5.0 599 438 A 50 LEU HG A 89 ILE HB 1.0 1.8 4.5 600 439 A 50 LEU HG A 89 ILE HG1x 1.0 1.8 4.5 601 439 A 89 ILE HG1y A 50 LEU HG 1.0 1.8 4.5 602 440 A 50 LEU HA A 89 ILE HG1x 1.0 1.8 5.5 603 440 A 89 ILE HG1y A 50 LEU HA 1.0 1.8 5.5 604 441 A 50 LEU HD1% A 73 GLU HA 1.0 1.8 4.5 605 442 A 50 LEU HD2% A 54 ALA HB% 1.0 1.8 5.0 606 443 A 51 GLU H A 54 ALA H 1.0 1.8 5.5 607 444 A 51 GLU H A 51 GLU HA 1.0 1.8 4.0 608 445 A 51 GLU H A 51 GLU HBy 1.0 1.8 3.5 609 445 A 51 GLU H A 51 GLU HBx 1.0 1.8 3.5 610 446 A 51 GLU H A 51 GLU HGx 1.0 1.8 4.5 611 447 A 51 GLU H A 51 GLU HGy 1.0 1.8 4.5 612 448 A 51 GLU H A 51 GLU HGy 1.0 1.8 4.0 613 448 A 51 GLU H A 51 GLU HGx 1.0 1.8 4.0 614 449 A 51 GLU HA A 53 GLN H 1.0 1.8 5.5 615 450 A 54 ALA H A 51 GLU HA 1.0 1.8 5.5 616 451 A 54 ALA H A 51 GLU HBy 1.0 1.8 4.5 617 451 A 54 ALA H A 51 GLU HBx 1.0 1.8 4.5 618 452 A 91 GLU H A 51 GLU HGy 1.0 1.8 5.5 619 452 A 51 GLU HGx A 91 GLU H 1.0 1.8 5.5 620 453 A 51 GLU HBx A 90 THR HA 1.0 1.8 5.5 621 454 A 90 THR HA A 51 GLU HBy 1.0 1.8 5.5 622 455 A 90 THR HA A 51 GLU HBy 1.0 1.8 5.0 623 455 A 51 GLU HBx A 90 THR HA 1.0 1.8 5.0 624 456 A 51 GLU HGx A 90 THR HA 1.0 1.8 4.0 625 457 A 90 THR HA A 51 GLU HGy 1.0 1.8 4.0 626 458 A 51 GLU HA A 52 PRO HDx 1.0 1.8 3.5 627 458 A 51 GLU HA A 52 PRO HDy 1.0 1.8 3.5 628 459 A 51 GLU HBx A 52 PRO HDx 1.0 1.8 5.0 629 459 A 51 GLU HBy A 52 PRO HDx 1.0 1.8 5.0 630 459 A 52 PRO HDy A 51 GLU HBy 1.0 1.8 5.0 631 459 A 51 GLU HBx A 52 PRO HDy 1.0 1.8 5.0 632 460 A 51 GLU HA A 52 PRO HGx 1.0 1.8 5.0 633 461 A 51 GLU HA A 52 PRO HGy 1.0 1.8 5.0 634 462 A 51 GLU HGx A 52 PRO HDy 1.0 1.8 5.0 635 462 A 51 GLU HGx A 52 PRO HDx 1.0 1.8 5.0 636 463 A 52 PRO HDy A 51 GLU HGy 1.0 1.8 5.0 637 463 A 51 GLU HGy A 52 PRO HDx 1.0 1.8 5.0 638 464 A 51 GLU HGx A 90 THR HG2% 1.0 1.8 5.0 639 465 A 90 THR HG2% A 51 GLU HGy 1.0 1.8 5.0 640 466 A 51 GLU HA A 52 PRO HA 1.0 1.8 5.5 641 467 A 54 ALA HB% A 51 GLU HBx 1.0 1.8 6.0 642 468 A 54 ALA HB% A 51 GLU HBy 1.0 1.8 6.0 643 469 A 51 GLU H A 52 PRO HDx 1.0 1.8 5.5 644 469 A 51 GLU H A 52 PRO HDy 1.0 1.8 5.5 645 470 A 53 GLN H A 52 PRO HA 1.0 1.8 4.0 646 471 A 53 GLN H A 52 PRO HBy 1.0 1.8 4.0 647 471 A 53 GLN H A 52 PRO HBx 1.0 1.8 4.0 648 472 A 53 GLN H A 52 PRO HDx 1.0 1.8 4.5 649 472 A 53 GLN H A 52 PRO HDy 1.0 1.8 4.5 650 473 A 54 ALA H A 52 PRO HDx 1.0 1.8 5.0 651 473 A 54 ALA H A 52 PRO HDy 1.0 1.8 5.0 652 474 A 54 ALA H A 52 PRO HA 1.0 1.8 5.5 653 475 A 55 LEU H A 52 PRO HA 1.0 1.8 4.5 654 476 A 52 PRO HA A 56 GLU H 1.0 1.8 5.5 655 477 A 52 PRO HA A 52 PRO HDx 1.0 1.8 5.0 656 477 A 52 PRO HDy A 52 PRO HA 1.0 1.8 5.0 657 478 A 54 ALA HB% A 52 PRO HDx 1.0 1.8 6.0 658 478 A 54 ALA HB% A 52 PRO HDy 1.0 1.8 6.0 659 479 A 52 PRO HA A 55 LEU HBy 1.0 1.8 4.0 660 479 A 52 PRO HA A 55 LEU HBx 1.0 1.8 4.0 661 480 A 52 PRO HA A 55 LEU HD1% 1.0 1.8 5.5 662 481 A 54 ALA H A 53 GLN H 1.0 1.8 3.5 663 482 A 55 LEU H A 53 GLN H 1.0 1.8 5.5 664 483 A 53 GLN H A 53 GLN HA 1.0 1.8 4.0 665 484 A 53 GLN H A 53 GLN HBx 1.0 1.8 3.5 666 484 A 53 GLN H A 53 GLN HBy 1.0 1.8 3.5 667 485 A 53 GLN H A 53 GLN HGy 1.0 1.8 4.0 668 485 A 53 GLN H A 53 GLN HGx 1.0 1.8 4.0 669 486 A 53 GLN HA A 53 GLN HE2x 1.0 1.8 5.5 670 486 A 53 GLN HA A 53 GLN HE2y 1.0 1.8 5.5 671 487 A 53 GLN HBx A 53 GLN HE2x 1.0 1.8 5.5 672 487 A 53 GLN HE2y A 53 GLN HBx 1.0 1.8 5.5 673 487 A 53 GLN HBy A 53 GLN HE2y 1.0 1.8 5.5 674 487 A 53 GLN HBy A 53 GLN HE2x 1.0 1.8 5.5 675 488 A 53 GLN HE2x A 53 GLN HGy 1.0 1.8 3.5 676 488 A 53 GLN HGx A 53 GLN HE2x 1.0 1.8 3.5 677 488 A 53 GLN HGx A 53 GLN HE2y 1.0 1.8 3.5 678 488 A 53 GLN HE2y A 53 GLN HGy 1.0 1.8 3.5 679 489 A 53 GLN H A 53 GLN HE2x 1.0 1.8 6.0 680 489 A 53 GLN H A 53 GLN HE2y 1.0 1.8 6.0 681 490 A 54 ALA H A 53 GLN HA 1.0 1.8 4.5 682 491 A 54 ALA H A 53 GLN HBx 1.0 1.8 4.5 683 491 A 54 ALA H A 53 GLN HBy 1.0 1.8 4.5 684 492 A 54 ALA H A 53 GLN HGy 1.0 1.8 5.5 685 492 A 54 ALA H A 53 GLN HGx 1.0 1.8 5.5 686 493 A 55 LEU H A 53 GLN HA 1.0 1.8 5.5 687 494 A 56 GLU H A 53 GLN HA 1.0 1.8 4.5 688 495 A 53 GLN HA A 57 ARG H 1.0 1.8 5.5 689 496 A 91 GLU H A 53 GLN HBx 1.0 1.8 5.0 690 496 A 91 GLU H A 53 GLN HBy 1.0 1.8 5.0 691 497 A 53 GLN HA A 53 GLN HGy 1.0 1.8 3.5 692 497 A 53 GLN HA A 53 GLN HGx 1.0 1.8 3.5 693 498 A 53 GLN HA A 56 GLU HBx 1.0 1.8 4.0 694 498 A 53 GLN HA A 56 GLU HBy 1.0 1.8 4.0 695 499 A 54 ALA HB% A 53 GLN HBx 1.0 1.8 6.0 696 499 A 54 ALA HB% A 53 GLN HBy 1.0 1.8 6.0 697 500 A 53 GLN HBy A 91 GLU HBy 1.0 1.8 5.0 698 500 A 53 GLN HBx A 91 GLU HBy 1.0 1.8 5.0 699 500 A 91 GLU HBx A 53 GLN HBx 1.0 1.8 5.0 700 500 A 53 GLN HBy A 91 GLU HBx 1.0 1.8 5.0 701 501 A 55 LEU H A 54 ALA H 1.0 1.8 3.0 702 502 A 54 ALA H A 56 GLU H 1.0 1.8 5.0 703 503 A 51 GLU H A 54 ALA HB% 1.0 2.8 4.5 704 504 A 54 ALA H A 54 ALA HA 1.0 1.8 4.0 705 505 A 54 ALA HB% A 54 ALA H 1.0 1.8 3.5 706 506 A 55 LEU H A 54 ALA HA 1.0 1.8 4.0 707 507 A 55 LEU H A 54 ALA HB% 1.0 1.8 4.0 708 508 A 56 GLU H A 54 ALA HA 1.0 1.8 5.5 709 509 A 57 ARG H A 54 ALA HA 1.0 1.8 4.5 710 510 A 54 ALA HA A 58 LEU H 1.0 1.8 5.5 711 511 A 54 ALA HA A 91 GLU HA 1.0 1.8 4.0 712 512 A 54 ALA HA A 91 GLU HBy 1.0 1.8 4.0 713 512 A 91 GLU HBx A 54 ALA HA 1.0 1.8 4.0 714 513 A 54 ALA HA A 91 GLU HGy 1.0 1.8 5.0 715 513 A 54 ALA HA A 91 GLU HGx 1.0 1.8 5.0 716 514 A 54 ALA HB% A 90 THR HA 1.0 1.8 5.0 717 515 A 54 ALA HB% A 91 GLU HA 1.0 1.8 4.0 718 516 A 54 ALA HA A 57 ARG HBy 1.0 1.8 4.0 719 516 A 54 ALA HA A 57 ARG HBx 1.0 1.8 4.0 720 517 A 54 ALA HB% A 91 GLU HBy 1.0 1.8 4.5 721 517 A 54 ALA HB% A 91 GLU HBx 1.0 1.8 4.5 722 518 A 55 LEU H A 56 GLU H 1.0 1.8 3.0 723 519 A 55 LEU H A 57 ARG H 1.0 1.8 5.0 724 520 A 53 GLN H A 55 LEU HD1% 1.0 2.8 6.0 725 521 A 55 LEU H A 55 LEU HA 1.0 1.8 4.0 726 522 A 55 LEU H A 55 LEU HBy 1.0 1.8 3.5 727 522 A 55 LEU H A 55 LEU HBx 1.0 1.8 3.5 728 523 A 56 GLU H A 55 LEU HA 1.0 1.8 4.0 729 524 A 57 ARG H A 55 LEU HA 1.0 1.8 5.0 730 525 A 58 LEU H A 55 LEU HA 1.0 1.8 4.5 731 526 A 55 LEU HA A 59 SER H 1.0 1.8 5.5 732 527 A 56 GLU H A 55 LEU HBy 1.0 1.8 3.5 733 527 A 56 GLU H A 55 LEU HBx 1.0 1.8 3.5 734 528 A 56 GLU H A 55 LEU HD1% 1.0 1.8 5.5 735 528 A 56 GLU H A 55 LEU HD2% 1.0 1.8 5.5 736 529 A 55 LEU HA A 55 LEU HD1% 1.0 1.8 4.5 737 530 A 55 LEU HA A 58 LEU HBy 1.0 1.8 4.0 738 530 A 55 LEU HA A 58 LEU HBx 1.0 1.8 4.0 739 531 A 56 GLU H A 57 ARG H 1.0 1.8 3.0 740 532 A 56 GLU H A 58 LEU H 1.0 1.8 5.0 741 533 A 56 GLU H A 56 GLU HA 1.0 1.8 4.0 742 534 A 56 GLU H A 56 GLU HBx 1.0 1.8 3.5 743 534 A 56 GLU H A 56 GLU HBy 1.0 1.8 3.5 744 535 A 57 ARG H A 56 GLU HA 1.0 1.8 4.0 745 536 A 58 LEU H A 56 GLU HA 1.0 1.8 5.0 746 537 A 59 SER H A 56 GLU HA 1.0 1.8 4.5 747 538 A 56 GLU HA A 60 ARG H 1.0 1.8 5.5 748 539 A 57 ARG H A 56 GLU HBx 1.0 1.8 3.5 749 539 A 57 ARG H A 56 GLU HBy 1.0 1.8 3.5 750 540 A 57 ARG H A 56 GLU HGy 1.0 1.8 5.0 751 540 A 57 ARG H A 56 GLU HGx 1.0 1.8 5.0 752 541 A 59 SER H A 56 GLU HGy 1.0 1.8 5.5 753 541 A 59 SER H A 56 GLU HGx 1.0 1.8 5.5 754 542 A 60 ARG H A 56 GLU HGy 1.0 1.8 5.5 755 542 A 60 ARG H A 56 GLU HGx 1.0 1.8 5.5 756 543 A 56 GLU HA A 56 GLU HGy 1.0 1.8 3.5 757 543 A 56 GLU HA A 56 GLU HGx 1.0 1.8 3.5 758 544 A 56 GLU HA A 59 SER HBx 1.0 1.8 4.5 759 544 A 56 GLU HA A 59 SER HBy 1.0 1.8 4.5 760 545 A 57 ARG H A 58 LEU H 1.0 1.8 3.5 761 546 A 57 ARG H A 59 SER H 1.0 1.8 5.0 762 547 A 57 ARG H A 57 ARG HA 1.0 1.8 4.0 763 548 A 57 ARG H A 57 ARG HBy 1.0 1.8 3.5 764 548 A 57 ARG H A 57 ARG HBx 1.0 1.8 3.5 765 549 A 57 ARG H A 57 ARG HDx 1.0 1.8 5.5 766 550 A 57 ARG H A 57 ARG HDy 1.0 1.8 5.5 767 551 A 57 ARG H A 57 ARG HDx 1.0 1.8 5.0 768 551 A 57 ARG H A 57 ARG HDy 1.0 1.8 5.0 769 552 A 57 ARG H A 57 ARG HE 1.0 1.8 6.0 770 553 A 58 LEU H A 57 ARG HA 1.0 1.8 4.0 771 554 A 59 SER H A 57 ARG HA 1.0 1.8 5.0 772 555 A 60 ARG H A 57 ARG HA 1.0 1.8 4.0 773 556 A 57 ARG HA A 61 VAL H 1.0 1.8 5.5 774 557 A 58 LEU H A 57 ARG HBy 1.0 1.8 3.5 775 557 A 58 LEU H A 57 ARG HBx 1.0 1.8 3.5 776 558 A 58 LEU H A 57 ARG HGy 1.0 1.8 4.5 777 558 A 58 LEU H A 57 ARG HGx 1.0 1.8 4.5 778 559 A 58 LEU H A 57 ARG HDx 1.0 1.8 6.0 779 560 A 58 LEU H A 57 ARG HDy 1.0 1.8 6.0 780 561 A 58 LEU H A 57 ARG HE 1.0 1.8 6.0 781 562 A 60 ARG H A 57 ARG HDx 1.0 1.8 5.0 782 562 A 60 ARG H A 57 ARG HDy 1.0 1.8 5.0 783 563 A 57 ARG HA A 60 ARG HBx 1.0 1.8 4.0 784 563 A 57 ARG HA A 60 ARG HBy 1.0 1.8 4.0 785 564 A 61 VAL HG1% A 57 ARG HDx 1.0 1.8 5.0 786 565 A 57 ARG HDy A 61 VAL HG1% 1.0 1.8 5.0 787 566 A 57 ARG HBy A 57 ARG HDx 1.0 1.8 5.0 788 566 A 57 ARG HBx A 57 ARG HDx 1.0 1.8 5.0 789 566 A 57 ARG HDy A 57 ARG HBy 1.0 1.8 5.0 790 566 A 57 ARG HBx A 57 ARG HDy 1.0 1.8 5.0 791 567 A 95 VAL HG1% A 57 ARG HDx 1.0 1.8 5.5 792 567 A 57 ARG HDy A 95 VAL HG1% 1.0 1.8 5.5 793 568 A 58 LEU H A 59 SER H 1.0 1.8 3.0 794 569 A 58 LEU H A 60 ARG H 1.0 1.8 5.0 795 570 A 58 LEU H A 58 LEU HA 1.0 1.8 4.0 796 571 A 58 LEU H A 58 LEU HBx 1.0 1.8 3.5 797 572 A 58 LEU H A 58 LEU HBy 1.0 1.8 3.5 798 573 A 58 LEU H A 58 LEU HD1% 1.0 1.8 5.0 799 574 A 58 LEU H A 58 LEU HD2% 1.0 1.8 5.0 800 575 A 59 SER H A 58 LEU HA 1.0 1.8 4.0 801 576 A 59 SER H A 58 LEU HBx 1.0 1.8 4.0 802 577 A 59 SER H A 58 LEU HBy 1.0 1.8 4.0 803 578 A 59 SER H A 58 LEU HBy 1.0 1.8 3.5 804 578 A 59 SER H A 58 LEU HBx 1.0 1.8 3.5 805 579 A 59 SER H A 58 LEU HG 1.0 1.8 4.5 806 580 A 59 SER H A 58 LEU HD1% 1.0 1.8 5.5 807 581 A 59 SER H A 58 LEU HD2% 1.0 1.8 5.5 808 582 A 60 ARG H A 58 LEU HA 1.0 1.8 5.0 809 583 A 61 VAL H A 58 LEU HA 1.0 1.8 4.0 810 584 A 58 LEU HA A 62 ALA H 1.0 1.8 5.0 811 585 A 58 LEU HA A 58 LEU HD1% 1.0 1.8 3.5 812 586 A 58 LEU HA A 61 VAL HB 1.0 1.8 4.0 813 587 A 61 VAL HG1% A 58 LEU HA 1.0 1.8 4.5 814 588 A 58 LEU HD2% A 72 VAL HA 1.0 1.8 5.5 815 589 A 72 VAL HB A 58 LEU HD2% 1.0 1.8 4.0 816 590 A 58 LEU HA A 98 LEU HD1% 1.0 1.8 5.5 817 590 A 58 LEU HA A 98 LEU HD2% 1.0 1.8 5.5 818 591 A 58 LEU HD2% A 59 SER HA 1.0 1.8 6.0 819 592 A 61 VAL HG1% A 58 LEU HG 1.0 1.8 4.5 820 593 A 61 VAL HG1% A 58 LEU HD1% 1.0 1.8 4.5 821 594 A 58 LEU HD1% A 73 GLU HBy 1.0 1.8 5.0 822 594 A 58 LEU HD1% A 73 GLU HBx 1.0 1.8 5.0 823 595 A 58 LEU HD1% A 73 GLU HGx 1.0 1.8 6.0 824 595 A 58 LEU HD1% A 73 GLU HGy 1.0 1.8 6.0 825 596 A 58 LEU HD2% A 73 GLU HBy 1.0 1.8 4.0 826 596 A 58 LEU HD2% A 73 GLU HBx 1.0 1.8 4.0 827 597 A 59 SER H A 60 ARG H 1.0 1.8 3.0 828 598 A 59 SER H A 61 VAL H 1.0 1.8 5.0 829 599 A 59 SER H A 59 SER HA 1.0 1.8 4.0 830 600 A 59 SER H A 59 SER HBx 1.0 1.8 3.5 831 600 A 59 SER H A 59 SER HBy 1.0 1.8 3.5 832 601 A 60 ARG H A 59 SER HA 1.0 1.8 4.0 833 602 A 60 ARG H A 59 SER HBx 1.0 1.8 4.0 834 602 A 60 ARG H A 59 SER HBy 1.0 1.8 4.0 835 603 A 61 VAL H A 59 SER HA 1.0 1.8 5.0 836 604 A 62 ALA H A 59 SER HA 1.0 1.8 4.0 837 605 A 63 LEU H A 59 SER HBx 1.0 1.8 5.5 838 605 A 59 SER HBy A 63 LEU H 1.0 1.8 5.5 839 606 A 59 SER HA A 62 ALA HB% 1.0 1.8 4.0 840 607 A 62 ALA HB% A 59 SER HBx 1.0 1.8 5.5 841 607 A 59 SER HBy A 62 ALA HB% 1.0 1.8 5.5 842 608 A 60 ARG H A 61 VAL H 1.0 1.8 3.0 843 609 A 60 ARG H A 62 ALA H 1.0 1.8 5.0 844 610 A 60 ARG H A 60 ARG HA 1.0 1.8 4.0 845 611 A 60 ARG H A 60 ARG HBx 1.0 1.8 3.5 846 612 A 60 ARG H A 60 ARG HBy 1.0 1.8 3.5 847 613 A 60 ARG H A 60 ARG HDy 1.0 1.8 5.5 848 613 A 60 ARG H A 60 ARG HDx 1.0 1.8 5.5 849 614 A 61 VAL H A 60 ARG HA 1.0 1.8 4.0 850 615 A 61 VAL H A 60 ARG HBx 1.0 1.8 4.0 851 616 A 61 VAL H A 60 ARG HBy 1.0 1.8 4.0 852 617 A 61 VAL H A 60 ARG HBx 1.0 1.8 3.5 853 617 A 61 VAL H A 60 ARG HBy 1.0 1.8 3.5 854 618 A 61 VAL H A 60 ARG HGx 1.0 1.8 4.5 855 618 A 61 VAL H A 60 ARG HGy 1.0 1.8 4.5 856 619 A 62 ALA H A 60 ARG HA 1.0 1.8 5.5 857 620 A 60 ARG HA A 60 ARG HGx 1.0 1.8 4.0 858 620 A 60 ARG HA A 60 ARG HGy 1.0 1.8 4.0 859 621 A 60 ARG HA A 60 ARG HDy 1.0 1.8 5.0 860 621 A 60 ARG HA A 60 ARG HDx 1.0 1.8 5.0 861 622 A 60 ARG HA A 63 LEU HBy 1.0 1.8 4.5 862 622 A 60 ARG HA A 63 LEU HBx 1.0 1.8 4.5 863 623 A 60 ARG HA A 63 LEU HD1% 1.0 1.8 4.0 864 624 A 60 ARG HBy A 63 LEU HD1% 1.0 1.8 5.5 865 624 A 60 ARG HBx A 63 LEU HD1% 1.0 1.8 5.5 866 625 A 61 VAL HA A 60 ARG HGx 1.0 1.8 5.0 867 626 A 60 ARG HGy A 61 VAL HA 1.0 1.8 5.0 868 627 A 60 ARG HBx A 98 LEU HD1% 1.0 1.8 6.0 869 627 A 60 ARG HBy A 98 LEU HD1% 1.0 1.8 6.0 870 627 A 98 LEU HD2% A 60 ARG HBx 1.0 1.8 6.0 871 627 A 60 ARG HBy A 98 LEU HD2% 1.0 1.8 6.0 872 628 A 61 VAL H A 62 ALA H 1.0 1.8 3.5 873 629 A 61 VAL H A 61 VAL HA 1.0 1.8 4.0 874 630 A 61 VAL H A 61 VAL HB 1.0 1.8 3.5 875 631 A 61 VAL H A 61 VAL HG1% 1.0 1.8 3.5 876 632 A 61 VAL H A 61 VAL HG2% 1.0 1.8 5.0 877 633 A 62 ALA H A 61 VAL HA 1.0 1.8 4.0 878 634 A 62 ALA H A 61 VAL HB 1.0 1.8 4.0 879 635 A 62 ALA H A 61 VAL HG2% 1.0 1.8 4.5 880 636 A 61 VAL HG2% A 66 ARG H 1.0 1.8 6.0 881 637 A 61 VAL HG2% A 67 ASP H 1.0 1.8 6.0 882 638 A 61 VAL HG2% A 68 ARG H 1.0 1.8 6.0 883 639 A 61 VAL HA A 64 VAL HB 1.0 1.8 5.0 884 640 A 61 VAL HG1% A 69 ALA HB% 1.0 1.8 5.0 885 641 A 61 VAL HG2% A 62 ALA HA 1.0 1.8 5.0 886 642 A 61 VAL HG2% A 66 ARG HA 1.0 1.8 5.5 887 643 A 61 VAL HA A 64 VAL HG1% 1.0 1.8 5.5 888 644 A 61 VAL HA A 64 VAL HG2% 1.0 1.8 3.5 889 645 A 61 VAL HG2% A 65 ARG HBx 1.0 1.8 5.5 890 646 A 61 VAL HG2% A 65 ARG HBy 1.0 1.8 5.5 891 647 A 61 VAL HG2% A 65 ARG HBx 1.0 1.8 5.0 892 647 A 61 VAL HG2% A 65 ARG HBy 1.0 1.8 5.0 893 648 A 61 VAL HB A 98 LEU HD1% 1.0 1.8 6.0 894 648 A 61 VAL HB A 98 LEU HD2% 1.0 1.8 6.0 895 649 A 61 VAL HG2% A 68 ARG HBx 1.0 1.8 5.0 896 649 A 61 VAL HG2% A 68 ARG HBy 1.0 1.8 5.0 897 650 A 62 ALA H A 63 LEU H 1.0 1.8 3.5 898 651 A 62 ALA H A 64 VAL H 1.0 1.8 5.5 899 652 A 62 ALA H A 62 ALA HA 1.0 1.8 4.0 900 653 A 62 ALA H A 62 ALA HB% 1.0 1.8 3.5 901 654 A 63 LEU H A 62 ALA HA 1.0 1.8 4.0 902 655 A 63 LEU H A 62 ALA HB% 1.0 1.8 4.0 903 656 A 62 ALA HA A 64 VAL H 1.0 1.8 4.5 904 657 A 62 ALA HB% A 64 VAL H 1.0 1.8 5.5 905 658 A 62 ALA HA A 65 ARG H 1.0 1.8 4.5 906 659 A 66 ARG H A 62 ALA HA 1.0 1.8 5.0 907 660 A 62 ALA HB% A 66 ARG H 1.0 1.8 5.5 908 661 A 67 ASP H A 62 ALA HA 1.0 1.8 5.5 909 662 A 62 ALA HA A 69 ALA H 1.0 1.8 4.5 910 663 A 62 ALA HB% A 62 ALA HA 1.0 1.8 3.5 911 664 A 62 ALA HA A 66 ARG HA 1.0 1.8 3.5 912 665 A 62 ALA HA A 66 ARG HBx 1.0 1.8 5.0 913 666 A 62 ALA HA A 66 ARG HBy 1.0 1.8 5.0 914 667 A 62 ALA HA A 66 ARG HDx 1.0 1.8 5.5 915 667 A 62 ALA HA A 66 ARG HDy 1.0 1.8 5.5 916 668 A 62 ALA HB% A 66 ARG HDx 1.0 1.8 5.5 917 668 A 62 ALA HB% A 66 ARG HDy 1.0 1.8 5.5 918 669 A 63 LEU H A 64 VAL H 1.0 1.8 3.5 919 670 A 63 LEU H A 63 LEU HA 1.0 1.8 3.5 920 671 A 63 LEU H A 63 LEU HBy 1.0 1.8 3.5 921 671 A 63 LEU H A 63 LEU HBx 1.0 1.8 3.5 922 672 A 63 LEU H A 63 LEU HD1% 1.0 1.8 5.5 923 672 A 63 LEU H A 63 LEU HD2% 1.0 1.8 5.5 924 673 A 64 VAL H A 63 LEU HA 1.0 1.8 4.0 925 674 A 64 VAL H A 63 LEU HBy 1.0 1.8 4.0 926 674 A 63 LEU HBx A 64 VAL H 1.0 1.8 4.0 927 675 A 65 ARG H A 63 LEU HA 1.0 1.8 5.5 928 676 A 63 LEU HBx A 64 VAL HA 1.0 1.8 5.0 929 677 A 64 VAL HA A 63 LEU HBy 1.0 1.8 5.0 930 678 A 64 VAL HA A 63 LEU HBy 1.0 1.8 4.5 931 678 A 63 LEU HBx A 64 VAL HA 1.0 1.8 4.5 932 679 A 63 LEU HBx A 64 VAL HG1% 1.0 1.8 5.0 933 680 A 64 VAL HG1% A 63 LEU HBy 1.0 1.8 5.0 934 681 A 64 VAL HG2% A 63 LEU HA 1.0 1.8 5.5 935 682 A 63 LEU HBx A 64 VAL HG2% 1.0 1.8 4.0 936 683 A 64 VAL HG2% A 63 LEU HBy 1.0 1.8 4.0 937 684 A 64 VAL HG2% A 63 LEU HBy 1.0 1.8 3.5 938 684 A 63 LEU HBx A 64 VAL HG2% 1.0 1.8 3.5 939 685 A 64 VAL H A 65 ARG H 1.0 1.8 3.5 940 686 A 64 VAL H A 64 VAL HA 1.0 1.8 4.0 941 687 A 64 VAL HB A 64 VAL H 1.0 1.8 4.0 942 688 A 64 VAL HG2% A 64 VAL H 1.0 1.8 4.0 943 689 A 65 ARG H A 64 VAL HA 1.0 1.8 4.5 944 690 A 64 VAL HB A 65 ARG H 1.0 1.8 4.0 945 691 A 64 VAL HG2% A 65 ARG H 1.0 1.8 4.5 946 692 A 66 ARG H A 64 VAL H 1.0 1.8 5.5 947 693 A 63 LEU H A 64 VAL HA 1.0 1.8 5.5 948 694 A 63 LEU H A 64 VAL HB 1.0 1.8 5.5 949 695 A 64 VAL HA A 65 ARG HDy 1.0 1.8 6.0 950 695 A 64 VAL HA A 65 ARG HDx 1.0 1.8 6.0 951 696 A 64 VAL HG1% A 64 VAL HA 1.0 1.8 3.5 952 697 A 64 VAL HG1% A 65 ARG HA 1.0 1.8 6.0 953 698 A 64 VAL HG1% A 65 ARG HDy 1.0 1.8 5.5 954 698 A 64 VAL HG1% A 65 ARG HDx 1.0 1.8 5.5 955 699 A 64 VAL HG2% A 65 ARG HA 1.0 1.8 6.0 956 700 A 64 VAL HG2% A 64 VAL HA 1.0 1.8 3.5 957 701 A 66 ARG H A 65 ARG H 1.0 1.8 5.0 958 702 A 65 ARG H A 65 ARG HA 1.0 1.8 4.0 959 703 A 65 ARG H A 65 ARG HBx 1.0 1.8 4.0 960 704 A 65 ARG HBy A 65 ARG H 1.0 1.8 4.0 961 705 A 65 ARG H A 65 ARG HGx 1.0 1.8 4.5 962 705 A 65 ARG H A 65 ARG HGy 1.0 1.8 4.5 963 706 A 65 ARG H A 65 ARG HDy 1.0 1.8 5.5 964 706 A 65 ARG H A 65 ARG HDx 1.0 1.8 5.5 965 707 A 66 ARG H A 65 ARG HA 1.0 1.8 3.5 966 708 A 66 ARG H A 65 ARG HBx 1.0 1.8 4.0 967 708 A 66 ARG H A 65 ARG HBy 1.0 1.8 4.0 968 709 A 67 ASP H A 65 ARG HA 1.0 1.8 4.0 969 710 A 67 ASP H A 65 ARG HBx 1.0 1.8 3.5 970 710 A 67 ASP H A 65 ARG HBy 1.0 1.8 3.5 971 711 A 68 ARG H A 65 ARG HA 1.0 1.8 5.0 972 712 A 68 ARG H A 65 ARG HBx 1.0 1.8 4.0 973 712 A 68 ARG H A 65 ARG HBy 1.0 1.8 4.0 974 713 A 68 ARG H A 65 ARG HDy 1.0 1.8 6.0 975 713 A 68 ARG H A 65 ARG HDx 1.0 1.8 6.0 976 714 A 65 ARG HA A 68 ARG HDx 1.0 1.8 5.0 977 714 A 65 ARG HA A 68 ARG HDy 1.0 1.8 5.0 978 715 A 68 ARG HDy A 65 ARG HBx 1.0 1.8 5.5 979 715 A 65 ARG HBx A 68 ARG HDx 1.0 1.8 5.5 980 716 A 65 ARG HBy A 68 ARG HDy 1.0 1.8 5.5 981 716 A 65 ARG HBy A 68 ARG HDx 1.0 1.8 5.5 982 717 A 65 ARG HBx A 68 ARG HDx 1.0 1.8 5.0 983 717 A 68 ARG HDy A 65 ARG HBx 1.0 1.8 5.0 984 717 A 65 ARG HBy A 68 ARG HDy 1.0 1.8 5.0 985 717 A 65 ARG HBy A 68 ARG HDx 1.0 1.8 5.0 986 718 A 65 ARG HA A 65 ARG HGx 1.0 1.8 4.5 987 719 A 65 ARG HA A 65 ARG HGy 1.0 1.8 4.5 988 720 A 66 ARG H A 67 ASP H 1.0 1.8 3.5 989 721 A 66 ARG H A 68 ARG H 1.0 1.8 5.5 990 722 A 66 ARG H A 66 ARG HA 1.0 1.8 4.0 991 723 A 66 ARG H A 66 ARG HBx 1.0 1.8 3.5 992 723 A 66 ARG H A 66 ARG HBy 1.0 1.8 3.5 993 724 A 66 ARG H A 66 ARG HGx 1.0 1.8 4.5 994 724 A 66 ARG H A 66 ARG HGy 1.0 1.8 4.5 995 725 A 66 ARG H A 66 ARG HDx 1.0 1.8 5.5 996 725 A 66 ARG H A 66 ARG HDy 1.0 1.8 5.5 997 726 A 67 ASP H A 66 ARG HA 1.0 1.8 4.5 998 727 A 67 ASP H A 66 ARG HBx 1.0 1.8 4.0 999 727 A 67 ASP H A 66 ARG HBy 1.0 1.8 4.0 1000 728 A 67 ASP H A 66 ARG HGx 1.0 1.8 4.5 1001 728 A 67 ASP H A 66 ARG HGy 1.0 1.8 4.5 1002 729 A 67 ASP H A 66 ARG HDx 1.0 1.8 5.5 1003 729 A 67 ASP H A 66 ARG HDy 1.0 1.8 5.5 1004 730 A 68 ARG H A 66 ARG HA 1.0 1.8 5.0 1005 731 A 66 ARG HA A 69 ALA H 1.0 1.8 4.0 1006 732 A 66 ARG HA A 70 GLN H 1.0 1.8 5.0 1007 733 A 66 ARG HA A 65 ARG H 1.0 1.8 5.5 1008 734 A 66 ARG HA A 66 ARG HDx 1.0 1.8 5.0 1009 734 A 66 ARG HA A 66 ARG HDy 1.0 1.8 5.0 1010 735 A 66 ARG HBx A 66 ARG HDx 1.0 1.8 4.5 1011 735 A 66 ARG HBy A 66 ARG HDx 1.0 1.8 4.5 1012 735 A 66 ARG HDy A 66 ARG HBx 1.0 1.8 4.5 1013 735 A 66 ARG HDy A 66 ARG HBy 1.0 1.8 4.5 1014 736 A 69 ALA HB% A 66 ARG HA 1.0 1.8 3.5 1015 737 A 67 ASP HA A 66 ARG HDx 1.0 1.8 6.0 1016 737 A 66 ARG HDy A 67 ASP HA 1.0 1.8 6.0 1017 738 A 66 ARG HGx A 70 GLN HGy 1.0 1.8 5.0 1018 738 A 66 ARG HGy A 70 GLN HGy 1.0 1.8 5.0 1019 738 A 70 GLN HGx A 66 ARG HGx 1.0 1.8 5.0 1020 738 A 66 ARG HGy A 70 GLN HGx 1.0 1.8 5.0 1021 739 A 67 ASP H A 68 ARG H 1.0 1.8 3.0 1022 740 A 67 ASP H A 69 ALA H 1.0 1.8 5.0 1023 741 A 67 ASP H A 67 ASP HA 1.0 1.8 3.5 1024 742 A 67 ASP H A 67 ASP HBx 1.0 1.8 3.5 1025 743 A 67 ASP H A 67 ASP HBy 1.0 1.8 3.5 1026 744 A 68 ARG H A 67 ASP HA 1.0 1.8 4.5 1027 745 A 68 ARG H A 67 ASP HBx 1.0 1.8 4.0 1028 746 A 68 ARG H A 67 ASP HBy 1.0 1.8 4.0 1029 747 A 69 ALA H A 67 ASP HA 1.0 1.8 5.5 1030 748 A 70 GLN H A 67 ASP HA 1.0 1.8 4.5 1031 749 A 67 ASP HA A 71 ALA H 1.0 1.8 5.0 1032 750 A 66 ARG H A 67 ASP HA 1.0 1.8 5.5 1033 751 A 67 ASP HA A 70 GLN HBy 1.0 1.8 4.5 1034 751 A 67 ASP HA A 70 GLN HBx 1.0 1.8 4.5 1035 752 A 68 ARG H A 69 ALA H 1.0 1.8 3.0 1036 753 A 68 ARG H A 70 GLN H 1.0 1.8 5.0 1037 754 A 68 ARG H A 68 ARG HA 1.0 1.8 4.0 1038 755 A 68 ARG H A 68 ARG HBx 1.0 1.8 3.5 1039 756 A 68 ARG H A 68 ARG HBy 1.0 1.8 3.5 1040 757 A 68 ARG H A 68 ARG HDx 1.0 1.8 5.5 1041 757 A 68 ARG H A 68 ARG HDy 1.0 1.8 5.5 1042 758 A 69 ALA H A 68 ARG HA 1.0 1.8 4.5 1043 759 A 69 ALA H A 68 ARG HBx 1.0 1.8 4.0 1044 760 A 68 ARG HBy A 69 ALA H 1.0 1.8 4.0 1045 761 A 69 ALA H A 68 ARG HBx 1.0 1.8 3.5 1046 761 A 68 ARG HBy A 69 ALA H 1.0 1.8 3.5 1047 762 A 69 ALA H A 68 ARG HDx 1.0 1.8 6.0 1048 762 A 69 ALA H A 68 ARG HDy 1.0 1.8 6.0 1049 763 A 70 GLN H A 68 ARG HA 1.0 1.8 5.0 1050 764 A 71 ALA H A 68 ARG HA 1.0 1.8 4.0 1051 765 A 68 ARG HA A 72 VAL H 1.0 1.8 5.0 1052 766 A 68 ARG HA A 71 ALA HB% 1.0 1.8 4.0 1053 767 A 68 ARG HA A 68 ARG HGx 1.0 1.8 4.5 1054 767 A 68 ARG HA A 68 ARG HGy 1.0 1.8 4.5 1055 768 A 68 ARG HA A 101 ILE HD1% 1.0 1.8 5.0 1056 769 A 102 ALA HB% A 68 ARG HDx 1.0 1.8 5.0 1057 769 A 68 ARG HDy A 102 ALA HB% 1.0 1.8 5.0 1058 770 A 68 ARG HDx A 98 LEU HD1% 1.0 1.8 5.5 1059 770 A 68 ARG HDy A 98 LEU HD1% 1.0 1.8 5.5 1060 770 A 98 LEU HD2% A 68 ARG HDx 1.0 1.8 5.5 1061 770 A 98 LEU HD2% A 68 ARG HDy 1.0 1.8 5.5 1062 771 A 68 ARG HA A 101 ILE HG2% 1.0 1.8 4.5 1063 772 A 101 ILE HG2% A 68 ARG HGx 1.0 1.8 4.5 1064 772 A 68 ARG HGy A 101 ILE HG2% 1.0 1.8 4.5 1065 773 A 101 ILE HG2% A 68 ARG HDx 1.0 1.8 5.5 1066 773 A 68 ARG HDy A 101 ILE HG2% 1.0 1.8 5.5 1067 774 A 69 ALA H A 70 GLN H 1.0 1.8 3.5 1068 775 A 69 ALA H A 71 ALA H 1.0 1.8 5.0 1069 776 A 69 ALA H A 69 ALA HA 1.0 1.8 3.5 1070 777 A 69 ALA HB% A 69 ALA H 1.0 1.8 3.5 1071 778 A 70 GLN H A 69 ALA HA 1.0 1.8 4.0 1072 779 A 69 ALA HB% A 70 GLN H 1.0 1.8 3.5 1073 780 A 71 ALA H A 69 ALA HA 1.0 1.8 5.0 1074 781 A 72 VAL H A 69 ALA HA 1.0 1.8 4.0 1075 782 A 69 ALA HA A 73 GLU H 1.0 1.8 5.0 1076 783 A 72 VAL HB A 69 ALA HA 1.0 1.8 4.5 1077 784 A 72 VAL HB A 69 ALA HB% 1.0 1.8 6.0 1078 785 A 69 ALA HA A 72 VAL HG1% 1.0 1.8 5.0 1079 786 A 69 ALA HB% A 70 GLN HGx 1.0 1.8 5.5 1080 787 A 69 ALA HB% A 70 GLN HGy 1.0 1.8 5.5 1081 788 A 70 GLN H A 71 ALA H 1.0 1.8 3.0 1082 789 A 70 GLN H A 72 VAL H 1.0 1.8 5.0 1083 790 A 70 GLN H A 70 GLN HA 1.0 1.8 3.5 1084 791 A 70 GLN H A 70 GLN HBy 1.0 1.8 3.5 1085 791 A 70 GLN H A 70 GLN HBx 1.0 1.8 3.5 1086 792 A 70 GLN H A 70 GLN HGy 1.0 1.8 4.0 1087 792 A 70 GLN H A 70 GLN HGx 1.0 1.8 4.0 1088 793 A 71 ALA H A 70 GLN HA 1.0 1.8 4.0 1089 794 A 72 VAL H A 70 GLN HA 1.0 1.8 5.0 1090 795 A 73 GLU H A 70 GLN HA 1.0 1.8 4.0 1091 796 A 70 GLN HA A 74 THR H 1.0 1.8 5.0 1092 797 A 71 ALA H A 70 GLN HBy 1.0 1.8 3.5 1093 797 A 71 ALA H A 70 GLN HBx 1.0 1.8 3.5 1094 798 A 71 ALA H A 70 GLN HGy 1.0 1.8 4.5 1095 798 A 70 GLN HGx A 71 ALA H 1.0 1.8 4.5 1096 799 A 70 GLN HE2y A 70 GLN HGy 1.0 1.8 4.0 1097 799 A 70 GLN HE2x A 70 GLN HGy 1.0 1.8 4.0 1098 799 A 70 GLN HGx A 70 GLN HE2x 1.0 1.8 4.0 1099 799 A 70 GLN HGx A 70 GLN HE2y 1.0 1.8 4.0 1100 800 A 101 ILE HG2% A 70 GLN HE2x 1.0 1.8 6.0 1101 800 A 101 ILE HG2% A 70 GLN HE2y 1.0 1.8 6.0 1102 801 A 70 GLN HA A 70 GLN HGy 1.0 1.8 3.5 1103 801 A 70 GLN HGx A 70 GLN HA 1.0 1.8 3.5 1104 802 A 70 GLN HA A 73 GLU HBy 1.0 1.8 4.5 1105 802 A 73 GLU HBx A 70 GLN HA 1.0 1.8 4.5 1106 803 A 73 GLU HGy A 70 GLN HA 1.0 1.8 5.0 1107 804 A 70 GLN HA A 73 GLU HGx 1.0 1.8 5.0 1108 805 A 71 ALA H A 72 VAL H 1.0 1.8 3.0 1109 806 A 71 ALA H A 73 GLU H 1.0 1.8 5.0 1110 807 A 70 GLN H A 71 ALA HB% 1.0 1.8 5.0 1111 808 A 71 ALA H A 71 ALA HA 1.0 1.8 3.5 1112 809 A 71 ALA H A 71 ALA HB% 1.0 1.8 3.5 1113 810 A 72 VAL H A 71 ALA HA 1.0 1.8 4.0 1114 811 A 72 VAL H A 71 ALA HB% 1.0 1.8 3.5 1115 812 A 73 GLU H A 71 ALA HA 1.0 1.8 5.0 1116 813 A 74 THR H A 71 ALA HA 1.0 1.8 4.0 1117 814 A 71 ALA HB% A 74 THR H 1.0 1.8 6.0 1118 815 A 71 ALA HA A 75 TYR H 1.0 1.8 5.0 1119 816 A 71 ALA HB% A 71 ALA HA 1.0 1.8 3.5 1120 817 A 71 ALA HA A 74 THR HG2% 1.0 1.8 5.0 1121 818 A 101 ILE HD1% A 71 ALA HA 1.0 1.8 5.5 1122 819 A 71 ALA HA A 74 THR HB 1.0 1.8 4.0 1123 820 A 71 ALA HB% A 74 THR HB 1.0 1.8 5.0 1124 821 A 72 VAL H A 73 GLU H 1.0 1.8 3.0 1125 822 A 72 VAL H A 74 THR H 1.0 1.8 5.0 1126 823 A 72 VAL HA A 72 VAL H 1.0 1.8 4.0 1127 824 A 72 VAL HB A 72 VAL H 1.0 1.8 3.5 1128 825 A 72 VAL HA A 73 GLU H 1.0 1.8 4.0 1129 826 A 72 VAL HA A 74 THR H 1.0 1.8 5.0 1130 827 A 72 VAL HA A 75 TYR H 1.0 1.8 4.0 1131 828 A 72 VAL HA A 76 LEU H 1.0 1.8 5.0 1132 829 A 69 ALA H A 72 VAL HG2% 1.0 1.8 5.0 1133 830 A 70 GLN H A 72 VAL HG2% 1.0 1.8 5.5 1134 831 A 71 ALA H A 72 VAL HG2% 1.0 1.8 4.5 1135 832 A 74 THR H A 72 VAL HG2% 1.0 1.8 6.0 1136 833 A 72 VAL HB A 97 ILE HG2% 1.0 1.8 5.5 1137 834 A 72 VAL HG1% A 97 ILE HG2% 1.0 1.8 4.5 1138 835 A 72 VAL HA A 101 ILE HD1% 1.0 1.8 4.5 1139 836 A 72 VAL HB A 101 ILE HD1% 1.0 1.8 5.5 1140 837 A 72 VAL HA A 75 TYR HBx 1.0 1.8 5.0 1141 838 A 72 VAL HA A 75 TYR HBy 1.0 1.8 5.0 1142 839 A 72 VAL HA A 75 TYR HBx 1.0 1.8 4.5 1143 839 A 72 VAL HA A 75 TYR HBy 1.0 1.8 4.5 1144 840 A 89 ILE HD1% A 72 VAL HB 1.0 1.8 6.0 1145 841 A 73 GLU H A 74 THR H 1.0 1.8 3.5 1146 842 A 73 GLU H A 75 TYR H 1.0 1.8 5.0 1147 843 A 73 GLU HA A 73 GLU H 1.0 1.8 4.0 1148 844 A 73 GLU H A 73 GLU HBy 1.0 1.8 3.5 1149 844 A 73 GLU HBx A 73 GLU H 1.0 1.8 3.5 1150 845 A 73 GLU H A 73 GLU HGx 1.0 1.8 4.0 1151 845 A 73 GLU HGy A 73 GLU H 1.0 1.8 4.0 1152 846 A 73 GLU HA A 74 THR H 1.0 1.8 4.0 1153 847 A 73 GLU HA A 75 TYR H 1.0 1.8 5.0 1154 848 A 73 GLU HA A 76 LEU H 1.0 1.8 4.0 1155 849 A 73 GLU HA A 77 LYS H 1.0 1.8 5.0 1156 850 A 74 THR H A 73 GLU HBy 1.0 1.8 4.0 1157 850 A 73 GLU HBx A 74 THR H 1.0 1.8 4.0 1158 851 A 73 GLU HA A 76 LEU HBx 1.0 1.8 4.5 1159 852 A 73 GLU HA A 76 LEU HBy 1.0 1.8 4.5 1160 853 A 73 GLU HA A 76 LEU HBy 1.0 1.8 4.0 1161 853 A 73 GLU HA A 76 LEU HBx 1.0 1.8 4.0 1162 854 A 74 THR H A 75 TYR H 1.0 1.8 3.5 1163 855 A 74 THR H A 76 LEU H 1.0 1.8 5.0 1164 856 A 74 THR H A 74 THR HA 1.0 1.8 4.0 1165 857 A 74 THR H A 74 THR HB 1.0 1.8 3.5 1166 858 A 74 THR H A 74 THR HG2% 1.0 1.8 5.0 1167 859 A 75 TYR H A 74 THR HA 1.0 1.8 4.0 1168 860 A 76 LEU H A 74 THR HA 1.0 1.8 5.0 1169 861 A 77 LYS H A 74 THR HA 1.0 1.8 4.0 1170 862 A 74 THR HA A 78 LYS H 1.0 1.8 5.0 1171 863 A 75 TYR H A 74 THR HG2% 1.0 1.8 5.0 1172 864 A 74 THR HG2% A 75 TYR HA 1.0 1.8 5.5 1173 865 A 74 THR HG2% A 77 LYS HBx 1.0 1.8 5.5 1174 865 A 77 LYS HBy A 74 THR HG2% 1.0 1.8 5.5 1175 866 A 74 THR HG2% A 77 LYS HDx 1.0 1.8 5.0 1176 866 A 77 LYS HDy A 74 THR HG2% 1.0 1.8 5.0 1177 867 A 74 THR HG2% A 77 LYS HEx 1.0 1.8 5.0 1178 867 A 77 LYS HEy A 74 THR HG2% 1.0 1.8 5.0 1179 868 A 74 THR HG2% A 74 THR HA 1.0 1.8 3.5 1180 869 A 74 THR HA A 77 LYS HBx 1.0 1.8 4.0 1181 869 A 77 LYS HBy A 74 THR HA 1.0 1.8 4.0 1182 870 A 74 THR HA A 77 LYS HDx 1.0 1.8 4.0 1183 870 A 77 LYS HDy A 74 THR HA 1.0 1.8 4.0 1184 871 A 74 THR HA A 77 LYS HEx 1.0 1.8 5.0 1185 871 A 77 LYS HEy A 74 THR HA 1.0 1.8 5.0 1186 872 A 75 TYR H A 76 LEU H 1.0 1.8 3.5 1187 873 A 75 TYR H A 77 LYS H 1.0 1.8 5.0 1188 874 A 74 THR H A 75 TYR HBx 1.0 1.8 5.5 1189 875 A 74 THR H A 75 TYR HBy 1.0 1.8 5.5 1190 876 A 75 TYR H A 75 TYR HA 1.0 1.8 4.0 1191 877 A 75 TYR H A 75 TYR HBx 1.0 1.8 3.5 1192 877 A 75 TYR H A 75 TYR HBy 1.0 1.8 3.5 1193 878 A 75 TYR H A 75 TYR HD% 1.0 1.8 4.5 1194 879 A 76 LEU H A 75 TYR HA 1.0 1.8 4.0 1195 880 A 77 LYS H A 75 TYR HA 1.0 1.8 5.0 1196 881 A 78 LYS H A 75 TYR HA 1.0 1.8 4.5 1197 882 A 75 TYR HA A 79 LEU H 1.0 1.8 5.0 1198 883 A 76 LEU H A 75 TYR HBx 1.0 1.8 4.0 1199 884 A 76 LEU H A 75 TYR HBy 1.0 1.8 4.0 1200 885 A 76 LEU H A 75 TYR HD% 1.0 1.8 5.0 1201 886 A 76 LEU H A 75 TYR HE% 1.0 1.8 6.0 1202 887 A 78 LYS H A 75 TYR HD% 1.0 1.8 6.0 1203 888 A 75 TYR HD% A 79 LEU H 1.0 1.8 6.0 1204 889 A 76 LEU HD1% A 75 TYR HD% 1.0 1.8 5.0 1205 890 A 76 LEU HD1% A 75 TYR HE% 1.0 1.8 5.0 1206 891 A 76 LEU HD2% A 75 TYR HD% 1.0 1.8 6.0 1207 892 A 76 LEU HD2% A 75 TYR HE% 1.0 1.8 6.0 1208 893 A 76 LEU HD2% A 75 TYR HBx 1.0 1.8 6.0 1209 893 A 76 LEU HD2% A 75 TYR HBy 1.0 1.8 6.0 1210 894 A 75 TYR HA A 78 LYS HBx 1.0 1.8 4.5 1211 894 A 75 TYR HA A 78 LYS HBy 1.0 1.8 4.5 1212 895 A 75 TYR HA A 78 LYS HDx 1.0 1.8 5.5 1213 895 A 75 TYR HA A 78 LYS HDy 1.0 1.8 5.5 1214 896 A 75 TYR HA A 79 LEU HD1% 1.0 1.8 5.5 1215 896 A 75 TYR HA A 79 LEU HD2% 1.0 1.8 5.5 1216 897 A 75 TYR HE% A 79 LEU HD1% 1.0 1.8 5.0 1217 897 A 75 TYR HE% A 79 LEU HD2% 1.0 1.8 5.0 1218 898 A 75 TYR HD% A 79 LEU HD1% 1.0 1.8 6.0 1219 898 A 75 TYR HD% A 79 LEU HD2% 1.0 1.8 6.0 1220 899 A 97 ILE HG2% A 75 TYR HBx 1.0 1.8 5.5 1221 900 A 97 ILE HG2% A 75 TYR HBy 1.0 1.8 5.5 1222 901 A 97 ILE HG2% A 75 TYR HE% 1.0 1.8 5.5 1223 902 A 97 ILE HG2% A 75 TYR HD% 1.0 1.8 5.5 1224 903 A 75 TYR HD% A 97 ILE HD1% 1.0 1.8 6.0 1225 904 A 75 TYR HE% A 97 ILE HD1% 1.0 1.8 5.5 1226 905 A 101 ILE HD1% A 75 TYR HD% 1.0 1.8 6.0 1227 906 A 101 ILE HD1% A 75 TYR HE% 1.0 1.8 6.0 1228 907 A 101 ILE HD1% A 75 TYR HBx 1.0 1.8 5.5 1229 908 A 101 ILE HD1% A 75 TYR HBy 1.0 1.8 5.5 1230 909 A 75 TYR HE% A 75 TYR HBx 1.0 1.8 5.5 1231 910 A 75 TYR HBy A 75 TYR HE% 1.0 1.8 5.5 1232 911 A 75 TYR HA A 75 TYR HE% 1.0 1.8 5.5 1233 912 A 75 TYR HA A 75 TYR HD% 1.0 1.8 4.5 1234 913 A 75 TYR HA A 77 LYS HEx 1.0 1.8 6.0 1235 913 A 77 LYS HEy A 75 TYR HA 1.0 1.8 6.0 1236 914 A 101 ILE HD1% A 75 TYR HA 1.0 1.8 6.0 1237 915 A 76 LEU H A 77 LYS H 1.0 1.8 3.0 1238 916 A 76 LEU H A 78 LYS H 1.0 1.8 5.0 1239 917 A 76 LEU H A 76 LEU HA 1.0 1.8 4.0 1240 918 A 76 LEU H A 76 LEU HBy 1.0 1.8 3.5 1241 918 A 76 LEU H A 76 LEU HBx 1.0 1.8 3.5 1242 919 A 77 LYS H A 76 LEU HA 1.0 1.8 4.0 1243 920 A 78 LYS H A 76 LEU HA 1.0 1.8 5.0 1244 921 A 79 LEU H A 76 LEU HA 1.0 1.8 4.0 1245 922 A 76 LEU HA A 80 ILE H 1.0 1.8 5.0 1246 923 A 77 LYS H A 76 LEU HBy 1.0 1.8 3.5 1247 923 A 77 LYS H A 76 LEU HBx 1.0 1.8 3.5 1248 924 A 74 THR H A 76 LEU HBy 1.0 1.8 6.0 1249 924 A 74 THR H A 76 LEU HBx 1.0 1.8 6.0 1250 925 A 76 LEU HD1% A 88 LYS H 1.0 1.8 6.0 1251 926 A 76 LEU HA A 79 LEU HBx 1.0 1.8 3.5 1252 926 A 76 LEU HA A 79 LEU HBy 1.0 1.8 3.5 1253 927 A 80 ILE HD1% A 76 LEU HA 1.0 1.8 6.0 1254 928 A 76 LEU HD1% A 80 ILE HG1y 1.0 1.8 6.0 1255 928 A 76 LEU HD1% A 80 ILE HG1x 1.0 1.8 6.0 1256 929 A 80 ILE HD1% A 76 LEU HBx 1.0 1.8 6.0 1257 930 A 80 ILE HD1% A 76 LEU HBy 1.0 1.8 6.0 1258 931 A 80 ILE HD1% A 76 LEU HBy 1.0 1.8 5.5 1259 931 A 80 ILE HD1% A 76 LEU HBx 1.0 1.8 5.5 1260 932 A 76 LEU HD2% A 88 LYS HA 1.0 1.8 5.5 1261 933 A 89 ILE HD1% A 76 LEU HA 1.0 1.8 5.5 1262 934 A 76 LEU HD2% A 89 ILE HG1x 1.0 1.8 4.5 1263 934 A 76 LEU HD2% A 89 ILE HG1y 1.0 1.8 4.5 1264 935 A 76 LEU HD2% A 89 ILE HD1% 1.0 1.8 4.5 1265 936 A 89 ILE HD1% A 76 LEU HBx 1.0 1.8 5.0 1266 937 A 89 ILE HD1% A 76 LEU HBy 1.0 1.8 5.0 1267 938 A 89 ILE HD1% A 76 LEU HBy 1.0 1.8 4.5 1268 938 A 89 ILE HD1% A 76 LEU HBx 1.0 1.8 4.5 1269 939 A 77 LYS H A 78 LYS H 1.0 1.8 3.5 1270 940 A 77 LYS H A 79 LEU H 1.0 1.8 5.0 1271 941 A 77 LYS HA A 77 LYS H 1.0 1.8 4.0 1272 942 A 77 LYS H A 77 LYS HBx 1.0 1.8 4.0 1273 942 A 77 LYS HBy A 77 LYS H 1.0 1.8 4.0 1274 943 A 77 LYS H A 77 LYS HGy 1.0 1.8 3.5 1275 943 A 77 LYS H A 77 LYS HGx 1.0 1.8 3.5 1276 944 A 77 LYS H A 77 LYS HEx 1.0 1.8 5.5 1277 944 A 77 LYS HEy A 77 LYS H 1.0 1.8 5.5 1278 945 A 77 LYS HA A 78 LYS H 1.0 1.8 4.0 1279 946 A 78 LYS H A 77 LYS HBx 1.0 1.8 4.0 1280 946 A 77 LYS HBy A 78 LYS H 1.0 1.8 4.0 1281 947 A 78 LYS H A 77 LYS HGy 1.0 1.8 3.5 1282 947 A 78 LYS H A 77 LYS HGx 1.0 1.8 3.5 1283 948 A 77 LYS HA A 79 LEU H 1.0 1.8 5.0 1284 949 A 77 LYS HA A 80 ILE H 1.0 1.8 4.0 1285 950 A 77 LYS HA A 81 ALA H 1.0 1.8 5.0 1286 951 A 77 LYS HA A 77 LYS HGy 1.0 1.8 4.0 1287 951 A 77 LYS HA A 77 LYS HGx 1.0 1.8 4.0 1288 952 A 77 LYS HA A 77 LYS HEx 1.0 1.8 5.5 1289 952 A 77 LYS HA A 77 LYS HEy 1.0 1.8 5.5 1290 953 A 77 LYS HA A 80 ILE HB 1.0 1.8 4.0 1291 954 A 77 LYS HA A 80 ILE HG2% 1.0 1.8 5.0 1292 955 A 80 ILE HG2% A 77 LYS HBx 1.0 1.8 6.0 1293 955 A 77 LYS HBy A 80 ILE HG2% 1.0 1.8 6.0 1294 956 A 77 LYS HA A 80 ILE HD1% 1.0 1.8 4.5 1295 957 A 80 ILE HD1% A 77 LYS HBx 1.0 1.8 5.5 1296 957 A 77 LYS HBy A 80 ILE HD1% 1.0 1.8 5.5 1297 958 A 80 ILE HD1% A 77 LYS HGy 1.0 1.8 6.0 1298 958 A 80 ILE HD1% A 77 LYS HGx 1.0 1.8 6.0 1299 959 A 78 LYS HA A 77 LYS HEx 1.0 1.8 6.0 1300 959 A 77 LYS HEy A 78 LYS HA 1.0 1.8 6.0 1301 960 A 77 LYS HEx A 78 LYS HBx 1.0 1.8 5.0 1302 960 A 77 LYS HEy A 78 LYS HBx 1.0 1.8 5.0 1303 960 A 78 LYS HBy A 77 LYS HEx 1.0 1.8 5.0 1304 960 A 77 LYS HEy A 78 LYS HBy 1.0 1.8 5.0 1305 961 A 78 LYS H A 79 LEU H 1.0 1.8 3.0 1306 962 A 78 LYS H A 80 ILE H 1.0 1.8 5.0 1307 963 A 78 LYS H A 78 LYS HA 1.0 1.8 3.5 1308 964 A 78 LYS H A 78 LYS HBx 1.0 1.8 3.5 1309 964 A 78 LYS H A 78 LYS HBy 1.0 1.8 3.5 1310 965 A 78 LYS H A 78 LYS HGy 1.0 1.8 4.0 1311 965 A 78 LYS H A 78 LYS HGx 1.0 1.8 4.0 1312 966 A 78 LYS H A 78 LYS HEx 1.0 1.8 5.5 1313 966 A 78 LYS H A 78 LYS HEy 1.0 1.8 5.5 1314 967 A 79 LEU H A 78 LYS HA 1.0 1.8 4.0 1315 968 A 79 LEU H A 78 LYS HBx 1.0 1.8 4.0 1316 968 A 79 LEU H A 78 LYS HBy 1.0 1.8 4.0 1317 969 A 79 LEU H A 78 LYS HEx 1.0 1.8 6.0 1318 969 A 79 LEU H A 78 LYS HEy 1.0 1.8 6.0 1319 970 A 80 ILE H A 78 LYS HA 1.0 1.8 5.0 1320 971 A 81 ALA H A 78 LYS HA 1.0 1.8 4.0 1321 972 A 78 LYS HA A 82 THR H 1.0 1.8 5.5 1322 973 A 78 LYS HA A 81 ALA HB% 1.0 1.8 4.0 1323 974 A 78 LYS HA A 78 LYS HGx 1.0 1.8 4.0 1324 975 A 78 LYS HA A 78 LYS HGy 1.0 1.8 4.0 1325 976 A 78 LYS HA A 78 LYS HGy 1.0 1.8 3.5 1326 976 A 78 LYS HA A 78 LYS HGx 1.0 1.8 3.5 1327 977 A 78 LYS HEx A 78 LYS HGy 1.0 1.8 4.5 1328 977 A 78 LYS HEy A 78 LYS HGy 1.0 1.8 4.5 1329 977 A 78 LYS HGx A 78 LYS HEx 1.0 1.8 4.5 1330 977 A 78 LYS HGx A 78 LYS HEy 1.0 1.8 4.5 1331 978 A 79 LEU H A 80 ILE H 1.0 1.8 3.5 1332 979 A 79 LEU H A 81 ALA H 1.0 1.8 5.0 1333 980 A 78 LYS H A 79 LEU HD1% 1.0 1.8 6.0 1334 980 A 78 LYS H A 79 LEU HD2% 1.0 1.8 6.0 1335 981 A 79 LEU H A 79 LEU HA 1.0 1.8 3.5 1336 982 A 79 LEU H A 79 LEU HBx 1.0 1.8 3.5 1337 982 A 79 LEU H A 79 LEU HBy 1.0 1.8 3.5 1338 983 A 79 LEU H A 79 LEU HG 1.0 1.8 5.0 1339 984 A 79 LEU H A 79 LEU HD1% 1.0 1.8 5.0 1340 984 A 79 LEU H A 79 LEU HD2% 1.0 1.8 5.0 1341 985 A 80 ILE H A 79 LEU HA 1.0 1.8 4.0 1342 986 A 80 ILE H A 79 LEU HD1% 1.0 1.8 5.5 1343 986 A 79 LEU HD2% A 80 ILE H 1.0 1.8 5.5 1344 987 A 81 ALA H A 79 LEU HA 1.0 1.8 5.0 1345 988 A 82 THR H A 79 LEU HA 1.0 1.8 5.0 1346 989 A 79 LEU HA A 83 ASN HD2y 1.0 1.8 5.5 1347 990 A 79 LEU HA A 83 ASN HD2x 1.0 1.8 5.5 1348 991 A 79 LEU HA A 84 ASN HD2y 1.0 1.8 5.5 1349 991 A 79 LEU HA A 84 ASN HD2x 1.0 1.8 5.5 1350 992 A 83 ASN H A 79 LEU HD1% 1.0 1.8 6.0 1351 992 A 79 LEU HD2% A 83 ASN H 1.0 1.8 6.0 1352 993 A 84 ASN H A 79 LEU HD1% 1.0 1.8 6.0 1353 993 A 79 LEU HD2% A 84 ASN H 1.0 1.8 6.0 1354 994 A 83 ASN HD2y A 79 LEU HD1% 1.0 1.8 6.0 1355 994 A 79 LEU HD2% A 83 ASN HD2y 1.0 1.8 6.0 1356 995 A 83 ASN HD2x A 79 LEU HD1% 1.0 1.8 6.0 1357 995 A 79 LEU HD2% A 83 ASN HD2x 1.0 1.8 6.0 1358 996 A 79 LEU HD2% A 84 ASN HD2x 1.0 1.8 6.0 1359 996 A 84 ASN HD2y A 79 LEU HD1% 1.0 1.8 6.0 1360 996 A 79 LEU HD2% A 84 ASN HD2y 1.0 1.8 6.0 1361 996 A 84 ASN HD2x A 79 LEU HD1% 1.0 1.8 6.0 1362 997 A 79 LEU HA A 79 LEU HG 1.0 1.8 4.0 1363 998 A 79 LEU HA A 79 LEU HD1% 1.0 1.8 4.0 1364 998 A 79 LEU HD2% A 79 LEU HA 1.0 1.8 4.0 1365 999 A 80 ILE HA A 79 LEU HD1% 1.0 1.8 6.0 1366 999 A 79 LEU HD2% A 80 ILE HA 1.0 1.8 6.0 1367 1000 A 79 LEU HA A 84 ASN HBx 1.0 1.8 5.0 1368 1001 A 79 LEU HA A 84 ASN HBy 1.0 1.8 5.0 1369 1002 A 79 LEU HA A 84 ASN HBx 1.0 1.8 4.0 1370 1002 A 79 LEU HA A 84 ASN HBy 1.0 1.8 4.0 1371 1003 A 79 LEU HD2% A 84 ASN HBx 1.0 1.8 5.0 1372 1003 A 79 LEU HD1% A 84 ASN HBx 1.0 1.8 5.0 1373 1003 A 84 ASN HBy A 79 LEU HD1% 1.0 1.8 5.0 1374 1003 A 79 LEU HD2% A 84 ASN HBy 1.0 1.8 5.0 1375 1004 A 79 LEU HBy A 84 ASN HBx 1.0 1.8 5.5 1376 1004 A 79 LEU HBx A 84 ASN HBx 1.0 1.8 5.5 1377 1005 A 84 ASN HBy A 79 LEU HBx 1.0 1.8 5.5 1378 1005 A 79 LEU HBy A 84 ASN HBy 1.0 1.8 5.5 1379 1006 A 79 LEU HBy A 84 ASN HBx 1.0 1.8 5.0 1380 1006 A 79 LEU HBx A 84 ASN HBx 1.0 1.8 5.0 1381 1006 A 84 ASN HBy A 79 LEU HBx 1.0 1.8 5.0 1382 1006 A 79 LEU HBy A 84 ASN HBy 1.0 1.8 5.0 1383 1007 A 85 VAL HG2% A 79 LEU HA 1.0 1.8 5.5 1384 1008 A 80 ILE H A 81 ALA H 1.0 1.8 3.0 1385 1009 A 80 ILE H A 82 THR H 1.0 1.8 5.0 1386 1010 A 80 ILE HD1% A 77 LYS H 1.0 1.8 5.5 1387 1011 A 80 ILE HD1% A 78 LYS H 1.0 1.8 6.0 1388 1012 A 80 ILE H A 80 ILE HA 1.0 1.8 4.0 1389 1013 A 80 ILE H A 80 ILE HB 1.0 1.8 3.5 1390 1014 A 80 ILE HG2% A 80 ILE H 1.0 1.8 5.0 1391 1015 A 80 ILE HD1% A 80 ILE H 1.0 1.8 5.0 1392 1016 A 81 ALA H A 80 ILE HA 1.0 1.8 4.0 1393 1017 A 80 ILE HG2% A 81 ALA H 1.0 1.8 4.5 1394 1018 A 81 ALA H A 80 ILE HB 1.0 1.8 4.0 1395 1019 A 82 THR H A 80 ILE HA 1.0 1.8 5.0 1396 1020 A 80 ILE HG2% A 82 THR H 1.0 1.8 6.0 1397 1021 A 83 ASN H A 80 ILE HA 1.0 1.8 5.0 1398 1022 A 80 ILE HG2% A 83 ASN H 1.0 1.8 6.0 1399 1023 A 80 ILE HA A 85 VAL H 1.0 1.8 5.5 1400 1024 A 80 ILE HG2% A 85 VAL H 1.0 1.8 6.0 1401 1025 A 46 ILE H A 80 ILE HD1% 1.0 1.8 6.0 1402 1026 A 47 ALA H A 80 ILE HD1% 1.0 1.8 6.0 1403 1027 A 49 PHE H A 80 ILE HD1% 1.0 1.8 5.5 1404 1028 A 80 ILE HD1% A 50 LEU H 1.0 1.8 6.0 1405 1029 A 81 ALA H A 80 ILE HG1y 1.0 1.8 5.0 1406 1029 A 80 ILE HG1x A 81 ALA H 1.0 1.8 5.0 1407 1030 A 80 ILE HD1% A 81 ALA H 1.0 1.8 5.5 1408 1031 A 80 ILE HG2% A 80 ILE HA 1.0 1.8 3.5 1409 1032 A 80 ILE HD1% A 80 ILE HA 1.0 1.8 4.5 1410 1033 A 80 ILE HG2% A 81 ALA HA 1.0 1.8 5.0 1411 1034 A 80 ILE HA A 85 VAL HB 1.0 1.8 5.0 1412 1035 A 80 ILE HG2% A 85 VAL HB 1.0 1.8 5.5 1413 1036 A 85 VAL HB A 80 ILE HG1y 1.0 1.8 5.5 1414 1036 A 80 ILE HG1x A 85 VAL HB 1.0 1.8 5.5 1415 1037 A 85 VAL HG1% A 80 ILE HA 1.0 1.8 5.5 1416 1038 A 85 VAL HG2% A 80 ILE HA 1.0 1.8 4.0 1417 1039 A 85 VAL HG2% A 80 ILE HG1x 1.0 1.8 5.0 1418 1040 A 85 VAL HG2% A 80 ILE HG1y 1.0 1.8 5.0 1419 1041 A 85 VAL HG2% A 80 ILE HG1y 1.0 1.8 4.5 1420 1041 A 85 VAL HG2% A 80 ILE HG1x 1.0 1.8 4.5 1421 1042 A 80 ILE HG2% A 85 VAL HG2% 1.0 1.8 5.5 1422 1043 A 80 ILE HD1% A 85 VAL HG2% 1.0 1.8 5.5 1423 1044 A 80 ILE HD1% A 89 ILE HD1% 1.0 1.8 6.0 1424 1045 A 81 ALA H A 82 THR H 1.0 1.8 3.0 1425 1046 A 81 ALA H A 81 ALA HA 1.0 1.8 3.5 1426 1047 A 81 ALA H A 81 ALA HB% 1.0 1.8 3.5 1427 1048 A 82 THR H A 81 ALA HA 1.0 1.8 4.0 1428 1049 A 82 THR H A 81 ALA HB% 1.0 1.8 4.0 1429 1050 A 81 ALA HB% A 83 ASN H 1.0 1.8 5.5 1430 1051 A 81 ALA HB% A 81 ALA HA 1.0 1.8 3.5 1431 1052 A 81 ALA HB% A 82 THR HA 1.0 1.8 5.0 1432 1053 A 82 THR H A 83 ASN H 1.0 1.8 3.0 1433 1054 A 82 THR H A 82 THR HA 1.0 1.8 3.5 1434 1055 A 82 THR H A 82 THR HG2% 1.0 1.8 4.0 1435 1056 A 83 ASN H A 82 THR HA 1.0 1.8 4.0 1436 1057 A 83 ASN H A 82 THR HG2% 1.0 1.8 5.5 1437 1058 A 82 THR HG2% A 84 ASN HD2y 1.0 1.8 6.0 1438 1059 A 82 THR HG2% A 84 ASN HD2x 1.0 1.8 6.0 1439 1060 A 84 ASN HD2y A 82 THR HB 1.0 1.8 4.5 1440 1060 A 84 ASN HD2x A 82 THR HB 1.0 1.8 4.5 1441 1061 A 82 THR HA A 82 THR HG2% 1.0 1.8 3.5 1442 1062 A 83 ASN H A 84 ASN H 1.0 1.8 4.0 1443 1063 A 83 ASN H A 83 ASN HA 1.0 1.8 3.5 1444 1064 A 83 ASN H A 83 ASN HBx 1.0 1.8 4.0 1445 1065 A 83 ASN H A 83 ASN HBy 1.0 1.8 4.0 1446 1066 A 83 ASN HD2y A 83 ASN H 1.0 1.8 5.5 1447 1066 A 83 ASN HD2x A 83 ASN H 1.0 1.8 5.5 1448 1067 A 83 ASN HD2y A 83 ASN HA 1.0 1.8 5.5 1449 1068 A 83 ASN HD2x A 83 ASN HA 1.0 1.8 5.5 1450 1069 A 83 ASN HD2y A 83 ASN HBx 1.0 1.8 4.5 1451 1070 A 83 ASN HD2x A 83 ASN HBx 1.0 1.8 4.5 1452 1071 A 83 ASN HD2y A 83 ASN HBy 1.0 1.8 4.5 1453 1072 A 83 ASN HD2x A 83 ASN HBy 1.0 1.8 4.5 1454 1073 A 83 ASN HD2x A 83 ASN HBx 1.0 1.8 4.0 1455 1073 A 83 ASN HD2y A 83 ASN HBy 1.0 1.8 4.0 1456 1073 A 83 ASN HD2y A 83 ASN HBx 1.0 1.8 4.0 1457 1073 A 83 ASN HD2x A 83 ASN HBy 1.0 1.8 4.0 1458 1074 A 85 VAL H A 83 ASN HA 1.0 1.8 5.0 1459 1075 A 83 ASN HA A 83 ASN HBx 1.0 1.8 3.5 1460 1076 A 83 ASN HA A 83 ASN HBy 1.0 2.8 4.5 1461 1077 A 84 ASN H A 84 ASN HA 1.0 1.8 3.5 1462 1078 A 84 ASN H A 84 ASN HBx 1.0 1.8 3.5 1463 1078 A 84 ASN H A 84 ASN HBy 1.0 1.8 3.5 1464 1079 A 84 ASN H A 84 ASN HD2y 1.0 1.8 5.0 1465 1079 A 84 ASN H A 84 ASN HD2x 1.0 1.8 5.0 1466 1080 A 84 ASN HD2y A 84 ASN HA 1.0 1.8 4.5 1467 1080 A 84 ASN HD2x A 84 ASN HA 1.0 1.8 4.5 1468 1081 A 84 ASN HBy A 84 ASN HD2y 1.0 1.8 4.0 1469 1081 A 84 ASN HBy A 84 ASN HD2x 1.0 1.8 4.0 1470 1081 A 84 ASN HD2y A 84 ASN HBx 1.0 1.8 4.0 1471 1081 A 84 ASN HD2x A 84 ASN HBx 1.0 1.8 4.0 1472 1082 A 85 VAL H A 84 ASN HD2y 1.0 1.8 6.0 1473 1083 A 85 VAL H A 84 ASN HD2x 1.0 1.8 6.0 1474 1084 A 85 VAL H A 84 ASN HD2x 1.0 1.8 5.5 1475 1084 A 85 VAL H A 84 ASN HD2y 1.0 1.8 5.5 1476 1085 A 85 VAL H A 84 ASN HA 1.0 1.8 4.0 1477 1086 A 85 VAL H A 84 ASN HBx 1.0 1.8 4.5 1478 1087 A 84 ASN HBy A 85 VAL H 1.0 1.8 4.5 1479 1088 A 84 ASN HA A 84 ASN HBx 1.0 1.8 3.5 1480 1089 A 84 ASN HBy A 84 ASN HA 1.0 1.8 3.5 1481 1090 A 84 ASN HA A 86 THR HG2% 1.0 1.8 5.5 1482 1091 A 86 THR HG2% A 84 ASN HBx 1.0 1.8 6.0 1483 1091 A 84 ASN HBy A 86 THR HG2% 1.0 1.8 6.0 1484 1092 A 85 VAL H A 85 VAL HA 1.0 1.8 3.5 1485 1093 A 85 VAL H A 85 VAL HB 1.0 1.8 3.5 1486 1094 A 85 VAL HG1% A 85 VAL H 1.0 1.8 5.0 1487 1095 A 85 VAL HG2% A 85 VAL H 1.0 1.8 5.0 1488 1096 A 85 VAL HA A 87 HIS H 1.0 1.8 4.0 1489 1097 A 85 VAL HB A 87 HIS H 1.0 1.8 5.5 1490 1098 A 85 VAL HG1% A 87 HIS H 1.0 1.8 4.5 1491 1099 A 85 VAL HG2% A 87 HIS H 1.0 1.8 5.5 1492 1100 A 85 VAL HG1% A 85 VAL HA 1.0 1.8 3.5 1493 1101 A 85 VAL HG2% A 85 VAL HA 1.0 1.8 3.5 1494 1102 A 86 THR HG2% A 85 VAL HA 1.0 1.8 5.5 1495 1103 A 85 VAL HB A 86 THR HA 1.0 1.8 5.5 1496 1104 A 85 VAL HG1% A 86 THR HA 1.0 1.8 5.5 1497 1105 A 87 HIS H A 86 THR HA 1.0 1.8 4.0 1498 1106 A 87 HIS H A 86 THR HB 1.0 1.8 5.0 1499 1107 A 86 THR HG2% A 87 HIS H 1.0 1.8 5.5 1500 1108 A 86 THR HG2% A 86 THR HA 1.0 1.8 4.0 1501 1109 A 87 HIS H A 87 HIS HA 1.0 1.8 3.5 1502 1110 A 87 HIS H A 87 HIS HBy 1.0 1.8 4.5 1503 1110 A 87 HIS H A 87 HIS HBx 1.0 1.8 4.5 1504 1111 A 88 LYS H A 87 HIS HA 1.0 1.8 3.5 1505 1112 A 88 LYS H A 87 HIS HBy 1.0 1.8 3.5 1506 1112 A 88 LYS H A 87 HIS HBx 1.0 1.8 3.5 1507 1113 A 88 LYS H A 87 HIS H 1.0 1.8 5.5 1508 1114 A 87 HIS HA A 87 HIS HBy 1.0 1.8 3.5 1509 1114 A 87 HIS HA A 87 HIS HBx 1.0 1.8 3.5 1510 1115 A 87 HIS HA A 87 HIS HD2 1.0 1.8 5.0 1511 1116 A 87 HIS HD2 A 87 HIS HBy 1.0 1.8 4.5 1512 1116 A 87 HIS HBx A 87 HIS HD2 1.0 1.8 4.5 1513 1117 A 89 ILE HD1% A 87 HIS HD2 1.0 1.8 5.5 1514 1118 A 87 HIS HD2 A 89 ILE HA 1.0 1.8 4.5 1515 1119 A 90 THR HG2% A 87 HIS HD2 1.0 1.8 5.5 1516 1120 A 88 LYS HA A 88 LYS H 1.0 1.8 4.0 1517 1121 A 88 LYS H A 88 LYS HBy 1.0 1.8 3.5 1518 1121 A 88 LYS HBx A 88 LYS H 1.0 1.8 3.5 1519 1122 A 88 LYS H A 88 LYS HGy 1.0 1.8 4.0 1520 1122 A 88 LYS HGx A 88 LYS H 1.0 1.8 4.0 1521 1123 A 88 LYS H A 88 LYS HEx 1.0 1.8 5.5 1522 1123 A 88 LYS H A 88 LYS HEy 1.0 1.8 5.5 1523 1124 A 89 ILE H A 88 LYS HA 1.0 1.8 3.5 1524 1125 A 89 ILE H A 88 LYS HGy 1.0 1.8 5.0 1525 1125 A 89 ILE H A 88 LYS HGx 1.0 1.8 5.0 1526 1126 A 89 ILE H A 88 LYS HEx 1.0 1.8 6.0 1527 1126 A 89 ILE H A 88 LYS HEy 1.0 1.8 6.0 1528 1127 A 89 ILE H A 88 LYS H 1.0 1.8 5.0 1529 1128 A 88 LYS HA A 88 LYS HEx 1.0 1.8 5.5 1530 1128 A 88 LYS HA A 88 LYS HEy 1.0 1.8 5.5 1531 1129 A 88 LYS HA A 88 LYS HGy 1.0 1.8 4.0 1532 1129 A 88 LYS HGx A 88 LYS HA 1.0 1.8 4.0 1533 1130 A 89 ILE H A 90 THR H 1.0 1.8 5.0 1534 1131 A 89 ILE HD1% A 73 GLU H 1.0 1.8 5.5 1535 1132 A 89 ILE HD1% A 75 TYR H 1.0 1.8 5.5 1536 1133 A 89 ILE HD1% A 76 LEU H 1.0 1.8 4.5 1537 1134 A 89 ILE H A 89 ILE HA 1.0 1.8 3.5 1538 1135 A 89 ILE H A 89 ILE HB 1.0 1.8 4.0 1539 1136 A 89 ILE H A 89 ILE HG1x 1.0 1.8 3.5 1540 1136 A 89 ILE H A 89 ILE HG1y 1.0 1.8 3.5 1541 1137 A 89 ILE H A 89 ILE HG2% 1.0 1.8 5.5 1542 1138 A 89 ILE H A 89 ILE HD1% 1.0 1.8 5.0 1543 1139 A 89 ILE HA A 90 THR H 1.0 1.8 3.5 1544 1140 A 89 ILE HG2% A 90 THR H 1.0 1.8 4.5 1545 1141 A 89 ILE HG2% A 91 GLU H 1.0 1.8 6.0 1546 1142 A 89 ILE HG2% A 92 ALA H 1.0 1.8 5.5 1547 1143 A 89 ILE HG2% A 93 GLU H 1.0 1.8 5.5 1548 1144 A 89 ILE HA A 89 ILE HG1x 1.0 1.8 4.0 1549 1144 A 89 ILE HG1y A 89 ILE HA 1.0 1.8 4.0 1550 1145 A 89 ILE HG2% A 89 ILE HA 1.0 1.8 4.0 1551 1146 A 89 ILE HD1% A 89 ILE HA 1.0 1.8 5.0 1552 1147 A 89 ILE HD1% A 89 ILE HB 1.0 1.8 4.0 1553 1148 A 89 ILE HG2% A 93 GLU HGx 1.0 1.8 5.5 1554 1148 A 89 ILE HG2% A 93 GLU HGy 1.0 1.8 5.5 1555 1149 A 89 ILE HD1% A 93 GLU HGx 1.0 1.8 6.0 1556 1149 A 89 ILE HD1% A 93 GLU HGy 1.0 1.8 6.0 1557 1150 A 89 ILE HD1% A 94 ILE HG1y 1.0 1.8 5.5 1558 1150 A 89 ILE HD1% A 94 ILE HG1x 1.0 1.8 5.5 1559 1151 A 89 ILE HG2% A 93 GLU HBy 1.0 1.8 5.0 1560 1151 A 89 ILE HG2% A 93 GLU HBx 1.0 1.8 5.0 1561 1152 A 89 ILE HG2% A 90 THR HA 1.0 1.8 6.0 1562 1153 A 91 GLU H A 90 THR H 1.0 1.8 5.5 1563 1154 A 90 THR H A 93 GLU H 1.0 1.8 6.0 1564 1155 A 54 ALA H A 90 THR HA 1.0 1.8 5.5 1565 1156 A 90 THR HA A 90 THR H 1.0 2.8 5.0 1566 1157 A 90 THR H A 90 THR HB 1.0 1.8 4.5 1567 1158 A 90 THR HG2% A 90 THR H 1.0 1.8 4.0 1568 1159 A 91 GLU H A 90 THR HA 1.0 1.8 3.5 1569 1160 A 91 GLU H A 90 THR HB 1.0 1.8 4.5 1570 1161 A 91 GLU H A 90 THR HG2% 1.0 1.8 5.0 1571 1162 A 90 THR HA A 92 ALA H 1.0 1.8 4.5 1572 1163 A 90 THR HG2% A 92 ALA H 1.0 1.8 5.0 1573 1164 A 93 GLU H A 90 THR HB 1.0 1.8 5.0 1574 1165 A 90 THR HG2% A 93 GLU H 1.0 1.8 5.5 1575 1166 A 90 THR HA A 90 THR HG2% 1.0 1.8 3.5 1576 1167 A 90 THR HB A 92 ALA HB% 1.0 1.8 6.0 1577 1168 A 90 THR HG2% A 92 ALA HB% 1.0 1.8 5.0 1578 1169 A 90 THR HG2% A 93 GLU HGx 1.0 1.8 5.5 1579 1169 A 90 THR HG2% A 93 GLU HGy 1.0 1.8 5.5 1580 1170 A 91 GLU H A 92 ALA H 1.0 1.8 3.5 1581 1171 A 91 GLU H A 93 GLU H 1.0 1.8 5.0 1582 1172 A 54 ALA H A 91 GLU HA 1.0 1.8 6.0 1583 1173 A 54 ALA H A 91 GLU HBy 1.0 1.8 5.0 1584 1173 A 54 ALA H A 91 GLU HBx 1.0 1.8 5.0 1585 1174 A 91 GLU H A 91 GLU HA 1.0 1.8 4.0 1586 1175 A 91 GLU H A 91 GLU HBy 1.0 1.8 3.5 1587 1175 A 91 GLU H A 91 GLU HBx 1.0 1.8 3.5 1588 1176 A 91 GLU H A 91 GLU HGy 1.0 1.8 5.0 1589 1176 A 91 GLU H A 91 GLU HGx 1.0 1.8 5.0 1590 1177 A 91 GLU HA A 92 ALA H 1.0 1.8 4.0 1591 1178 A 91 GLU HBx A 92 ALA H 1.0 1.8 4.0 1592 1179 A 92 ALA H A 91 GLU HBy 1.0 1.8 4.0 1593 1180 A 92 ALA H A 91 GLU HGy 1.0 1.8 5.0 1594 1180 A 91 GLU HGx A 92 ALA H 1.0 1.8 5.0 1595 1181 A 91 GLU HA A 93 GLU H 1.0 1.8 5.0 1596 1182 A 91 GLU HA A 94 ILE H 1.0 1.8 4.5 1597 1183 A 91 GLU HA A 95 VAL H 1.0 1.8 5.0 1598 1184 A 91 GLU HA A 94 ILE HG2% 1.0 1.8 5.0 1599 1185 A 91 GLU HA A 91 GLU HGx 1.0 1.8 4.5 1600 1186 A 91 GLU HA A 91 GLU HGy 1.0 1.8 4.5 1601 1187 A 91 GLU HA A 91 GLU HGy 1.0 1.8 4.0 1602 1187 A 91 GLU HA A 91 GLU HGx 1.0 1.8 4.0 1603 1188 A 91 GLU HA A 94 ILE HB 1.0 1.8 4.5 1604 1189 A 92 ALA H A 93 GLU H 1.0 1.8 3.5 1605 1190 A 92 ALA H A 94 ILE H 1.0 1.8 5.0 1606 1191 A 92 ALA H A 92 ALA HA 1.0 1.8 3.5 1607 1192 A 92 ALA H A 92 ALA HB% 1.0 1.8 3.5 1608 1193 A 93 GLU H A 92 ALA HA 1.0 1.8 4.0 1609 1194 A 94 ILE H A 92 ALA HA 1.0 1.8 5.0 1610 1195 A 95 VAL H A 92 ALA HA 1.0 1.8 4.0 1611 1196 A 92 ALA HA A 96 SER H 1.0 1.8 5.0 1612 1197 A 93 GLU H A 92 ALA HB% 1.0 1.8 4.0 1613 1198 A 92 ALA HA A 95 VAL HB 1.0 1.8 4.5 1614 1199 A 92 ALA HB% A 95 VAL HB 1.0 1.8 6.0 1615 1200 A 92 ALA HB% A 93 GLU HGx 1.0 1.8 5.5 1616 1200 A 93 GLU HGy A 92 ALA HB% 1.0 1.8 5.5 1617 1201 A 93 GLU H A 94 ILE H 1.0 1.8 3.5 1618 1202 A 93 GLU H A 95 VAL H 1.0 1.8 5.0 1619 1203 A 93 GLU H A 93 GLU HA 1.0 1.8 4.0 1620 1204 A 93 GLU H A 93 GLU HBy 1.0 1.8 3.5 1621 1204 A 93 GLU H A 93 GLU HBx 1.0 1.8 3.5 1622 1205 A 93 GLU H A 93 GLU HGx 1.0 1.8 4.0 1623 1205 A 93 GLU H A 93 GLU HGy 1.0 1.8 4.0 1624 1206 A 94 ILE H A 93 GLU HA 1.0 1.8 4.0 1625 1207 A 94 ILE H A 93 GLU HBy 1.0 1.8 3.5 1626 1207 A 93 GLU HBx A 94 ILE H 1.0 1.8 3.5 1627 1208 A 94 ILE H A 93 GLU HGx 1.0 1.8 4.5 1628 1208 A 93 GLU HGy A 94 ILE H 1.0 1.8 4.5 1629 1209 A 95 VAL H A 93 GLU HA 1.0 1.8 5.0 1630 1210 A 96 SER H A 93 GLU HA 1.0 1.8 4.0 1631 1211 A 93 GLU HA A 97 ILE H 1.0 1.8 5.5 1632 1212 A 93 GLU HA A 93 GLU HGx 1.0 1.8 4.0 1633 1212 A 93 GLU HGy A 93 GLU HA 1.0 1.8 4.0 1634 1213 A 93 GLU HA A 96 SER HBx 1.0 1.8 4.0 1635 1213 A 93 GLU HA A 96 SER HBy 1.0 1.8 4.0 1636 1214 A 94 ILE H A 95 VAL H 1.0 1.8 3.5 1637 1215 A 94 ILE H A 96 SER H 1.0 1.8 5.0 1638 1216 A 94 ILE H A 94 ILE HA 1.0 1.8 4.0 1639 1217 A 94 ILE H A 94 ILE HB 1.0 1.8 3.5 1640 1218 A 94 ILE H A 94 ILE HG1y 1.0 1.8 4.0 1641 1218 A 94 ILE HG1x A 94 ILE H 1.0 1.8 4.0 1642 1219 A 94 ILE H A 94 ILE HG2% 1.0 1.8 5.0 1643 1220 A 95 VAL H A 94 ILE HA 1.0 1.8 4.0 1644 1221 A 95 VAL H A 94 ILE HB 1.0 1.8 4.0 1645 1222 A 95 VAL H A 94 ILE HG1y 1.0 1.8 5.0 1646 1222 A 94 ILE HG1x A 95 VAL H 1.0 1.8 5.0 1647 1223 A 96 SER H A 94 ILE HA 1.0 1.8 5.0 1648 1224 A 97 ILE H A 94 ILE HA 1.0 1.8 4.0 1649 1225 A 94 ILE HG2% A 97 ILE H 1.0 1.8 6.0 1650 1226 A 94 ILE HA A 98 LEU H 1.0 1.8 5.0 1651 1227 A 94 ILE HG2% A 98 LEU H 1.0 1.8 5.0 1652 1228 A 95 VAL H A 94 ILE HG2% 1.0 1.8 4.0 1653 1229 A 94 ILE HG2% A 94 ILE HA 1.0 1.8 4.0 1654 1230 A 94 ILE HA A 94 ILE HD1% 1.0 1.8 5.0 1655 1231 A 94 ILE HB A 94 ILE HD1% 1.0 1.8 4.0 1656 1232 A 94 ILE HA A 97 ILE HB 1.0 1.8 3.5 1657 1233 A 97 ILE HG2% A 94 ILE HA 1.0 1.8 5.0 1658 1234 A 97 ILE HD1% A 94 ILE HA 1.0 1.8 4.0 1659 1235 A 97 ILE HD1% A 94 ILE HG1y 1.0 1.8 5.0 1660 1235 A 97 ILE HD1% A 94 ILE HG1x 1.0 1.8 5.0 1661 1236 A 94 ILE HG2% A 95 VAL HA 1.0 1.8 5.0 1662 1237 A 94 ILE HG2% A 95 VAL HB 1.0 1.8 5.5 1663 1238 A 95 VAL H A 96 SER H 1.0 1.8 3.5 1664 1239 A 95 VAL H A 97 ILE H 1.0 1.8 5.0 1665 1240 A 95 VAL H A 95 VAL HA 1.0 1.8 4.0 1666 1241 A 95 VAL H A 95 VAL HB 1.0 1.8 3.5 1667 1242 A 96 SER H A 95 VAL HA 1.0 1.8 4.5 1668 1243 A 96 SER H A 95 VAL HB 1.0 1.8 3.5 1669 1244 A 97 ILE H A 95 VAL HA 1.0 1.8 5.0 1670 1245 A 98 LEU H A 95 VAL HA 1.0 1.8 4.0 1671 1246 A 95 VAL HA A 99 ASN H 1.0 1.8 5.0 1672 1247 A 95 VAL HG2% A 99 ASN HD2y 1.0 1.8 5.0 1673 1248 A 95 VAL HG2% A 99 ASN HD2x 1.0 1.8 5.0 1674 1249 A 95 VAL HG1% A 95 VAL H 1.0 1.8 4.5 1675 1250 A 95 VAL H A 95 VAL HG2% 1.0 1.8 5.0 1676 1251 A 95 VAL HG1% A 96 SER H 1.0 1.8 5.0 1677 1252 A 96 SER H A 95 VAL HG2% 1.0 1.8 5.0 1678 1253 A 95 VAL HA A 99 ASN HD2y 1.0 1.8 6.0 1679 1253 A 95 VAL HA A 99 ASN HD2x 1.0 1.8 6.0 1680 1254 A 95 VAL HG1% A 95 VAL HA 1.0 1.8 3.5 1681 1255 A 95 VAL HA A 98 LEU HBx 1.0 1.8 4.5 1682 1256 A 95 VAL HA A 98 LEU HBy 1.0 1.8 4.5 1683 1257 A 95 VAL HA A 98 LEU HBy 1.0 1.8 4.0 1684 1257 A 95 VAL HA A 98 LEU HBx 1.0 1.8 4.0 1685 1258 A 95 VAL HA A 98 LEU HG 1.0 1.8 5.0 1686 1259 A 95 VAL HA A 98 LEU HD1% 1.0 1.8 5.0 1687 1259 A 98 LEU HD2% A 95 VAL HA 1.0 1.8 5.0 1688 1260 A 95 VAL HG2% A 96 SER HA 1.0 1.8 5.5 1689 1261 A 95 VAL HG2% A 99 ASN HBx 1.0 1.8 6.0 1690 1261 A 95 VAL HG2% A 99 ASN HBy 1.0 1.8 6.0 1691 1262 A 96 SER H A 97 ILE H 1.0 1.8 3.5 1692 1263 A 96 SER H A 98 LEU H 1.0 1.8 5.0 1693 1264 A 96 SER H A 96 SER HA 1.0 1.8 3.5 1694 1265 A 96 SER H A 96 SER HBx 1.0 1.8 3.5 1695 1265 A 96 SER H A 96 SER HBy 1.0 1.8 3.5 1696 1266 A 97 ILE H A 96 SER HA 1.0 1.8 4.0 1697 1267 A 98 LEU H A 96 SER HA 1.0 1.8 5.0 1698 1268 A 98 LEU H A 96 SER HBx 1.0 1.8 6.0 1699 1268 A 96 SER HBy A 98 LEU H 1.0 1.8 6.0 1700 1269 A 99 ASN H A 96 SER HA 1.0 1.8 4.0 1701 1270 A 96 SER HA A 100 GLY H 1.0 1.8 5.0 1702 1271 A 99 ASN HD2y A 96 SER HA 1.0 1.8 5.0 1703 1271 A 99 ASN HD2x A 96 SER HA 1.0 1.8 5.0 1704 1272 A 97 ILE HD1% A 96 SER HBx 1.0 1.8 5.5 1705 1272 A 97 ILE HD1% A 96 SER HBy 1.0 1.8 5.5 1706 1273 A 96 SER HA A 99 ASN HBx 1.0 1.8 4.0 1707 1274 A 96 SER HA A 99 ASN HBy 1.0 1.8 4.0 1708 1275 A 96 SER HA A 99 ASN HBx 1.0 1.8 3.5 1709 1275 A 96 SER HA A 99 ASN HBy 1.0 1.8 3.5 1710 1276 A 97 ILE H A 98 LEU H 1.0 1.8 3.5 1711 1277 A 97 ILE H A 99 ASN H 1.0 1.8 5.0 1712 1278 A 97 ILE H A 97 ILE HA 1.0 1.8 3.5 1713 1279 A 97 ILE H A 97 ILE HB 1.0 1.8 3.5 1714 1280 A 97 ILE HG2% A 97 ILE H 1.0 1.8 4.5 1715 1281 A 98 LEU H A 97 ILE HA 1.0 1.8 4.5 1716 1282 A 98 LEU H A 97 ILE HB 1.0 1.8 4.0 1717 1283 A 99 ASN H A 97 ILE HA 1.0 1.8 5.0 1718 1284 A 100 GLY H A 97 ILE HA 1.0 1.8 4.0 1719 1285 A 97 ILE HG2% A 100 GLY H 1.0 1.8 5.5 1720 1286 A 97 ILE HA A 101 ILE H 1.0 1.8 5.0 1721 1287 A 97 ILE HG2% A 101 ILE H 1.0 1.8 5.5 1722 1288 A 72 VAL H A 97 ILE HG2% 1.0 1.8 6.0 1723 1289 A 97 ILE HD1% A 94 ILE H 1.0 1.8 5.5 1724 1290 A 97 ILE HG2% A 99 ASN H 1.0 1.8 6.0 1725 1291 A 97 ILE HD1% A 97 ILE HA 1.0 1.8 5.0 1726 1292 A 97 ILE HG2% A 97 ILE HA 1.0 1.8 3.5 1727 1293 A 98 LEU H A 99 ASN H 1.0 1.8 3.5 1728 1294 A 98 LEU H A 100 GLY H 1.0 1.8 5.0 1729 1295 A 98 LEU H A 98 LEU HA 1.0 1.8 3.5 1730 1296 A 98 LEU H A 98 LEU HBy 1.0 1.8 3.5 1731 1296 A 98 LEU H A 98 LEU HBx 1.0 1.8 3.5 1732 1297 A 98 LEU H A 98 LEU HG 1.0 1.8 4.5 1733 1298 A 98 LEU H A 98 LEU HD1% 1.0 1.8 4.5 1734 1298 A 98 LEU HD2% A 98 LEU H 1.0 1.8 4.5 1735 1299 A 99 ASN H A 98 LEU HA 1.0 1.8 4.0 1736 1300 A 99 ASN H A 98 LEU HBx 1.0 1.8 4.0 1737 1301 A 99 ASN H A 98 LEU HBy 1.0 1.8 4.0 1738 1302 A 99 ASN H A 98 LEU HBy 1.0 1.8 3.5 1739 1302 A 99 ASN H A 98 LEU HBx 1.0 1.8 3.5 1740 1303 A 100 GLY H A 98 LEU HA 1.0 1.8 5.0 1741 1304 A 101 ILE H A 98 LEU HA 1.0 1.8 4.0 1742 1305 A 98 LEU HA A 102 ALA H 1.0 1.8 5.0 1743 1306 A 99 ASN H A 98 LEU HD1% 1.0 1.8 5.0 1744 1306 A 98 LEU HD2% A 99 ASN H 1.0 1.8 5.0 1745 1307 A 97 ILE H A 98 LEU HD1% 1.0 1.8 6.0 1746 1307 A 98 LEU HD2% A 97 ILE H 1.0 1.8 6.0 1747 1308 A 98 LEU HG A 98 LEU HA 1.0 1.8 4.0 1748 1309 A 98 LEU HA A 98 LEU HD1% 1.0 1.8 5.0 1749 1309 A 98 LEU HD2% A 98 LEU HA 1.0 1.8 5.0 1750 1310 A 99 ASN HA A 98 LEU HBy 1.0 1.8 5.0 1751 1310 A 98 LEU HBx A 99 ASN HA 1.0 1.8 5.0 1752 1311 A 99 ASN HA A 98 LEU HD1% 1.0 1.8 5.5 1753 1311 A 98 LEU HD2% A 99 ASN HA 1.0 1.8 5.5 1754 1312 A 98 LEU HA A 101 ILE HB 1.0 1.8 3.5 1755 1313 A 101 ILE HG2% A 98 LEU HA 1.0 1.8 4.5 1756 1314 A 101 ILE HD1% A 98 LEU HA 1.0 1.8 4.0 1757 1315 A 99 ASN H A 100 GLY H 1.0 1.8 3.5 1758 1316 A 99 ASN H A 101 ILE H 1.0 1.8 5.0 1759 1317 A 99 ASN H A 99 ASN HA 1.0 1.8 3.5 1760 1318 A 99 ASN H A 99 ASN HBx 1.0 1.8 3.5 1761 1318 A 99 ASN H A 99 ASN HBy 1.0 1.8 3.5 1762 1319 A 99 ASN H A 99 ASN HD2y 1.0 1.8 5.5 1763 1320 A 99 ASN H A 99 ASN HD2x 1.0 1.8 5.5 1764 1321 A 99 ASN H A 99 ASN HD2y 1.0 1.8 5.0 1765 1321 A 99 ASN H A 99 ASN HD2x 1.0 1.8 5.0 1766 1322 A 99 ASN HD2y A 99 ASN HA 1.0 1.8 5.0 1767 1322 A 99 ASN HD2x A 99 ASN HA 1.0 1.8 5.0 1768 1323 A 99 ASN HD2x A 99 ASN HBx 1.0 1.8 4.5 1769 1323 A 99 ASN HD2y A 99 ASN HBx 1.0 1.8 4.5 1770 1323 A 99 ASN HD2y A 99 ASN HBy 1.0 1.8 4.5 1771 1323 A 99 ASN HD2x A 99 ASN HBy 1.0 1.8 4.5 1772 1324 A 100 GLY H A 99 ASN HA 1.0 1.8 4.0 1773 1325 A 100 GLY H A 99 ASN HBx 1.0 1.8 4.5 1774 1325 A 99 ASN HBy A 100 GLY H 1.0 1.8 4.5 1775 1326 A 99 ASN HD2y A 100 GLY H 1.0 1.8 6.0 1776 1326 A 99 ASN HD2x A 100 GLY H 1.0 1.8 6.0 1777 1327 A 101 ILE H A 99 ASN HA 1.0 1.8 5.5 1778 1328 A 102 ALA H A 99 ASN HA 1.0 1.8 4.0 1779 1329 A 99 ASN HA A 103 LYS H 1.0 1.8 5.0 1780 1330 A 98 LEU H A 99 ASN HBx 1.0 1.8 5.5 1781 1330 A 98 LEU H A 99 ASN HBy 1.0 1.8 5.5 1782 1331 A 102 ALA HB% A 99 ASN HA 1.0 1.8 3.5 1783 1332 A 100 GLY H A 101 ILE H 1.0 1.8 3.5 1784 1333 A 100 GLY H A 102 ALA H 1.0 1.8 5.0 1785 1334 A 100 GLY H A 100 GLY HAx 1.0 1.8 3.5 1786 1334 A 100 GLY H A 100 GLY HAy 1.0 1.8 3.5 1787 1335 A 101 ILE H A 100 GLY HAx 1.0 1.8 4.0 1788 1335 A 101 ILE H A 100 GLY HAy 1.0 1.8 4.0 1789 1336 A 102 ALA H A 100 GLY HAx 1.0 1.8 5.0 1790 1336 A 102 ALA H A 100 GLY HAy 1.0 1.8 5.0 1791 1337 A 103 LYS H A 100 GLY HAx 1.0 1.8 4.0 1792 1337 A 103 LYS H A 100 GLY HAy 1.0 1.8 4.0 1793 1338 A 104 GLN H A 100 GLY HAx 1.0 1.8 5.0 1794 1338 A 100 GLY HAy A 104 GLN H 1.0 1.8 5.0 1795 1339 A 100 GLY HAy A 103 LYS HBx 1.0 1.8 4.5 1796 1339 A 103 LYS HBy A 100 GLY HAx 1.0 1.8 4.5 1797 1339 A 100 GLY HAy A 103 LYS HBy 1.0 1.8 4.5 1798 1339 A 100 GLY HAx A 103 LYS HBx 1.0 1.8 4.5 1799 1340 A 100 GLY HAy A 103 LYS HGy 1.0 1.8 5.0 1800 1340 A 100 GLY HAx A 103 LYS HGy 1.0 1.8 5.0 1801 1340 A 103 LYS HGx A 100 GLY HAx 1.0 1.8 5.0 1802 1340 A 100 GLY HAy A 103 LYS HGx 1.0 1.8 5.0 1803 1341 A 100 GLY HAx A 103 LYS HDx 1.0 1.8 5.5 1804 1341 A 100 GLY HAy A 103 LYS HDx 1.0 1.8 5.5 1805 1341 A 103 LYS HDy A 100 GLY HAx 1.0 1.8 5.5 1806 1341 A 100 GLY HAy A 103 LYS HDy 1.0 1.8 5.5 1807 1342 A 100 GLY HAy A 103 LYS HEx 1.0 1.8 6.0 1808 1342 A 100 GLY HAx A 103 LYS HEx 1.0 1.8 6.0 1809 1342 A 103 LYS HEy A 100 GLY HAx 1.0 1.8 6.0 1810 1342 A 100 GLY HAy A 103 LYS HEy 1.0 1.8 6.0 1811 1343 A 101 ILE H A 102 ALA H 1.0 1.8 3.0 1812 1344 A 101 ILE H A 103 LYS H 1.0 1.8 5.0 1813 1345 A 68 ARG H A 101 ILE HG2% 1.0 1.8 5.5 1814 1346 A 68 ARG H A 101 ILE HD1% 1.0 1.8 6.0 1815 1347 A 69 ALA H A 101 ILE HG2% 1.0 1.8 5.5 1816 1348 A 69 ALA H A 101 ILE HD1% 1.0 1.8 6.0 1817 1349 A 70 GLN H A 101 ILE HG2% 1.0 1.8 5.5 1818 1350 A 71 ALA H A 101 ILE HG2% 1.0 1.8 5.5 1819 1351 A 100 GLY H A 101 ILE HB 1.0 1.8 4.5 1820 1352 A 101 ILE HG2% A 100 GLY H 1.0 1.8 6.0 1821 1353 A 101 ILE HD1% A 99 ASN H 1.0 1.8 6.0 1822 1354 A 101 ILE H A 101 ILE HA 1.0 1.8 3.5 1823 1355 A 101 ILE H A 101 ILE HB 1.0 1.8 3.5 1824 1356 A 101 ILE H A 101 ILE HG1y 1.0 1.8 4.0 1825 1356 A 101 ILE H A 101 ILE HG1x 1.0 1.8 4.0 1826 1357 A 101 ILE HG2% A 101 ILE H 1.0 1.8 4.5 1827 1358 A 102 ALA H A 101 ILE HA 1.0 1.8 4.0 1828 1359 A 103 LYS H A 101 ILE HA 1.0 1.8 5.0 1829 1360 A 101 ILE HG2% A 103 LYS H 1.0 1.8 5.5 1830 1361 A 104 GLN H A 101 ILE HA 1.0 1.8 4.0 1831 1362 A 101 ILE HG2% A 104 GLN H 1.0 1.8 6.0 1832 1363 A 70 GLN H A 101 ILE HD1% 1.0 1.8 5.5 1833 1364 A 71 ALA H A 101 ILE HD1% 1.0 1.8 5.5 1834 1365 A 72 VAL H A 101 ILE HG2% 1.0 1.8 6.0 1835 1366 A 72 VAL H A 101 ILE HD1% 1.0 1.8 5.0 1836 1367 A 101 ILE HD1% A 73 GLU H 1.0 1.8 6.0 1837 1368 A 102 ALA H A 101 ILE HB 1.0 1.8 3.5 1838 1369 A 101 ILE HG2% A 102 ALA H 1.0 1.8 4.5 1839 1370 A 101 ILE HD1% A 102 ALA H 1.0 1.8 5.5 1840 1371 A 101 ILE HA A 104 GLN HBy 1.0 1.8 4.5 1841 1371 A 101 ILE HA A 104 GLN HBx 1.0 1.8 4.5 1842 1372 A 101 ILE HA A 104 GLN HGx 1.0 1.8 4.5 1843 1373 A 101 ILE HA A 104 GLN HGy 1.0 1.8 4.5 1844 1374 A 101 ILE HA A 101 ILE HG1x 1.0 1.8 3.5 1845 1375 A 101 ILE HA A 101 ILE HG1y 1.0 1.8 3.5 1846 1376 A 101 ILE HG2% A 101 ILE HA 1.0 1.8 4.0 1847 1377 A 101 ILE HD1% A 101 ILE HA 1.0 1.8 4.5 1848 1378 A 101 ILE HG2% A 102 ALA HA 1.0 1.8 5.0 1849 1379 A 101 ILE HG2% A 104 GLN HGy 1.0 1.8 5.5 1850 1379 A 101 ILE HG2% A 104 GLN HGx 1.0 1.8 5.5 1851 1380 A 101 ILE HG1x A 104 GLN HGy 1.0 1.8 5.5 1852 1380 A 101 ILE HG1y A 104 GLN HGy 1.0 1.8 5.5 1853 1380 A 104 GLN HGx A 101 ILE HG1y 1.0 1.8 5.5 1854 1380 A 101 ILE HG1x A 104 GLN HGx 1.0 1.8 5.5 1855 1381 A 101 ILE HG2% A 104 GLN HBy 1.0 1.8 5.5 1856 1381 A 101 ILE HG2% A 104 GLN HBx 1.0 1.8 5.5 1857 1382 A 102 ALA H A 103 LYS H 1.0 1.8 3.5 1858 1383 A 102 ALA H A 104 GLN H 1.0 1.8 5.0 1859 1384 A 102 ALA HB% A 99 ASN H 1.0 1.8 5.5 1860 1385 A 102 ALA H A 102 ALA HA 1.0 1.8 4.0 1861 1386 A 102 ALA HB% A 102 ALA H 1.0 1.8 3.5 1862 1387 A 103 LYS H A 102 ALA HA 1.0 1.8 4.0 1863 1388 A 102 ALA HB% A 103 LYS H 1.0 1.8 3.5 1864 1389 A 104 GLN H A 102 ALA HA 1.0 1.8 5.0 1865 1390 A 102 ALA HB% A 102 ALA HA 1.0 1.8 3.5 1866 1391 A 103 LYS H A 104 GLN H 1.0 1.8 3.5 1867 1392 A 103 LYS H A 103 LYS HA 1.0 1.8 3.5 1868 1393 A 103 LYS H A 103 LYS HBx 1.0 1.8 3.5 1869 1393 A 103 LYS H A 103 LYS HBy 1.0 1.8 3.5 1870 1394 A 103 LYS H A 103 LYS HDx 1.0 1.8 5.0 1871 1394 A 103 LYS H A 103 LYS HDy 1.0 1.8 5.0 1872 1395 A 103 LYS H A 103 LYS HEx 1.0 1.8 6.0 1873 1395 A 103 LYS H A 103 LYS HEy 1.0 1.8 6.0 1874 1396 A 104 GLN H A 103 LYS HA 1.0 1.8 4.0 1875 1397 A 104 GLN H A 103 LYS HBx 1.0 1.8 4.0 1876 1397 A 104 GLN H A 103 LYS HBy 1.0 1.8 4.0 1877 1398 A 104 GLN H A 103 LYS HGy 1.0 1.8 4.5 1878 1398 A 104 GLN H A 103 LYS HGx 1.0 1.8 4.5 1879 1399 A 104 GLN H A 103 LYS HDx 1.0 1.8 5.5 1880 1399 A 104 GLN H A 103 LYS HDy 1.0 1.8 5.5 1881 1400 A 104 GLN H A 103 LYS HEx 1.0 1.8 6.0 1882 1400 A 104 GLN H A 103 LYS HEy 1.0 1.8 6.0 1883 1401 A 103 LYS HGx A 103 LYS HA 1.0 1.8 3.5 1884 1402 A 103 LYS HA A 103 LYS HGy 1.0 1.8 3.5 1885 1403 A 103 LYS HGx A 103 LYS HEy 1.0 1.8 4.5 1886 1403 A 103 LYS HGx A 103 LYS HEx 1.0 1.8 4.5 1887 1404 A 103 LYS HEy A 103 LYS HGy 1.0 1.8 4.5 1888 1404 A 103 LYS HEx A 103 LYS HGy 1.0 1.8 4.5 1889 1405 A 103 LYS HEy A 103 LYS HGy 1.0 1.8 4.0 1890 1405 A 103 LYS HEx A 103 LYS HGy 1.0 1.8 4.0 1891 1405 A 103 LYS HGx A 103 LYS HEx 1.0 1.8 4.0 1892 1405 A 103 LYS HGx A 103 LYS HEy 1.0 1.8 4.0 1893 1406 A 103 LYS HA A 103 LYS HDx 1.0 1.8 5.0 1894 1406 A 103 LYS HDy A 103 LYS HA 1.0 1.8 5.0 1895 1407 A 104 GLN H A 105 GLN H 1.0 1.8 4.0 1896 1408 A 104 GLN H A 104 GLN HA 1.0 1.8 3.5 1897 1409 A 104 GLN H A 104 GLN HBy 1.0 1.8 3.5 1898 1409 A 104 GLN H A 104 GLN HBx 1.0 1.8 3.5 1899 1410 A 104 GLN H A 104 GLN HGy 1.0 1.8 4.5 1900 1410 A 104 GLN H A 104 GLN HGx 1.0 1.8 4.5 1901 1411 A 103 LYS H A 104 GLN HGy 1.0 1.8 5.5 1902 1411 A 103 LYS H A 104 GLN HGx 1.0 1.8 5.5 1903 1412 A 104 GLN HA A 104 GLN HE2x 1.0 1.8 5.5 1904 1412 A 104 GLN HA A 104 GLN HE2y 1.0 1.8 5.5 1905 1413 A 104 GLN HA A 104 GLN HGy 1.0 1.8 3.5 1906 1413 A 104 GLN HGx A 104 GLN HA 1.0 1.8 3.5 1907 1414 A 105 GLN HA A 105 GLN HGx 1.0 1.8 4.0 1908 1414 A 105 GLN HA A 105 GLN HGy 1.0 1.8 4.0 1909 1415 A 106 ASN HA A 106 ASN H 1.0 1.8 4.0 1910 1416 A 107 SER H A 107 SER HBx 1.0 1.8 4.0 1911 1416 A 107 SER HBy A 107 SER H 1.0 1.8 4.0 1912 1417 A 107 SER HA A 108 GLN H 1.0 1.8 3.5 1913 1418 A 106 ASN H A 107 SER HBx 1.0 1.8 5.5 1914 1418 A 106 ASN H A 107 SER HBy 1.0 1.8 5.5 1915 1419 A 108 GLN H A 107 SER HBx 1.0 1.8 5.0 1916 1419 A 107 SER HBy A 108 GLN H 1.0 1.8 5.0 1917 1420 A 108 GLN H A 108 GLN HBy 1.0 1.8 3.5 1918 1420 A 108 GLN H A 108 GLN HBx 1.0 1.8 3.5 1919 1421 A 108 GLN H A 108 GLN HGx 1.0 1.8 5.0 1920 1421 A 108 GLN H A 108 GLN HGy 1.0 1.8 5.0 1921 1422 A 108 GLN HA A 108 GLN HGx 1.0 1.8 3.5 1922 1422 A 108 GLN HGy A 108 GLN HA 1.0 1.8 3.5 1923 1423 A 110 ASN HA A 108 GLN HGx 1.0 1.8 5.5 1924 1423 A 108 GLN HGy A 110 ASN HA 1.0 1.8 5.5 1925 1424 A 109 ASN H A 109 ASN HBx 1.0 1.8 4.0 1926 1424 A 109 ASN HBy A 109 ASN H 1.0 1.8 4.0 1927 1425 A 109 ASN H A 109 ASN HD2y 1.0 1.8 6.0 1928 1426 A 109 ASN H A 109 ASN HD2x 1.0 1.8 6.0 1929 1427 A 109 ASN H A 109 ASN HD2y 1.0 1.8 5.5 1930 1427 A 109 ASN H A 109 ASN HD2x 1.0 1.8 5.5 1931 1428 A 110 ASN HA A 111 SER HBx 1.0 1.8 5.5 1932 1428 A 110 ASN HA A 111 SER HBy 1.0 1.8 5.5 1933 1429 A 110 ASN HA A 113 ILE HB 1.0 1.8 4.5 1934 1430 A 110 ASN HA A 113 ILE HD1% 1.0 1.8 5.0 1935 1431 A 114 ILE HG2% A 110 ASN HBx 1.0 1.8 6.0 1936 1432 A 114 ILE HG2% A 110 ASN HBy 1.0 1.8 6.0 1937 1433 A 114 ILE HG2% A 110 ASN HBx 1.0 1.8 5.5 1938 1433 A 114 ILE HG2% A 110 ASN HBy 1.0 1.8 5.5 1939 1434 A 114 ILE HD1% A 110 ASN HBx 1.0 1.8 6.0 1940 1434 A 110 ASN HBy A 114 ILE HD1% 1.0 1.8 6.0 1941 1435 A 111 SER HA A 111 SER H 1.0 1.8 3.5 1942 1436 A 111 SER H A 111 SER HBx 1.0 1.8 4.0 1943 1436 A 111 SER HBy A 111 SER H 1.0 1.8 4.0 1944 1437 A 111 SER HA A 112 LYS H 1.0 1.8 4.0 1945 1438 A 112 LYS H A 111 SER HBx 1.0 1.8 5.0 1946 1438 A 111 SER HBy A 112 LYS H 1.0 1.8 5.0 1947 1439 A 111 SER HBy A 112 LYS HEx 1.0 1.8 6.0 1948 1439 A 111 SER HBx A 112 LYS HEx 1.0 1.8 6.0 1949 1439 A 112 LYS HEy A 111 SER HBx 1.0 1.8 6.0 1950 1439 A 111 SER HBy A 112 LYS HEy 1.0 1.8 6.0 1951 1440 A 111 SER HA A 114 ILE HG1y 1.0 1.8 6.0 1952 1440 A 111 SER HA A 114 ILE HG1x 1.0 1.8 6.0 1953 1441 A 114 ILE HD1% A 111 SER HA 1.0 1.8 5.0 1954 1442 A 114 ILE HD1% A 111 SER HBx 1.0 1.8 5.5 1955 1442 A 111 SER HBy A 114 ILE HD1% 1.0 1.8 5.5 1956 1443 A 112 LYS H A 112 LYS HBy 1.0 1.8 4.0 1957 1443 A 112 LYS H A 112 LYS HBx 1.0 1.8 4.0 1958 1444 A 112 LYS HA A 113 ILE H 1.0 1.8 4.0 1959 1445 A 112 LYS HA A 114 ILE H 1.0 1.8 5.5 1960 1446 A 112 LYS HA A 115 PHE HBx 1.0 1.8 5.5 1961 1446 A 112 LYS HA A 115 PHE HBy 1.0 1.8 5.5 1962 1447 A 112 LYS HA A 112 LYS HGx 1.0 1.8 4.0 1963 1447 A 112 LYS HA A 112 LYS HGy 1.0 1.8 4.0 1964 1448 A 112 LYS HA A 112 LYS HDx 1.0 1.8 5.0 1965 1448 A 112 LYS HA A 112 LYS HDy 1.0 1.8 5.0 1966 1449 A 112 LYS HBy A 113 ILE HG1y 1.0 1.8 4.5 1967 1449 A 112 LYS HBx A 113 ILE HG1y 1.0 1.8 4.5 1968 1449 A 113 ILE HG1x A 112 LYS HBy 1.0 1.8 4.5 1969 1449 A 112 LYS HBx A 113 ILE HG1x 1.0 1.8 4.5 1970 1450 A 113 ILE H A 113 ILE HG1y 1.0 1.8 3.5 1971 1450 A 113 ILE H A 113 ILE HG1x 1.0 1.8 3.5 1972 1451 A 113 ILE H A 113 ILE HG2% 1.0 1.8 5.0 1973 1452 A 113 ILE HG2% A 115 PHE HBx 1.0 1.8 6.0 1974 1453 A 115 PHE HBy A 113 ILE HG2% 1.0 1.8 6.0 1975 1454 A 113 ILE HG2% A 113 ILE HA 1.0 1.8 3.5 1976 1455 A 113 ILE HA A 113 ILE HG1y 1.0 1.8 4.0 1977 1455 A 113 ILE HG1x A 113 ILE HA 1.0 1.8 4.0 1978 1456 A 114 ILE H A 115 PHE H 1.0 1.8 3.5 1979 1457 A 114 ILE HD1% A 112 LYS H 1.0 1.8 6.0 1980 1458 A 114 ILE H A 114 ILE HA 1.0 1.8 3.5 1981 1459 A 114 ILE H A 114 ILE HB 1.0 1.8 3.5 1982 1460 A 114 ILE H A 114 ILE HG1y 1.0 1.8 4.5 1983 1460 A 114 ILE HG1x A 114 ILE H 1.0 1.8 4.5 1984 1461 A 115 PHE H A 114 ILE HB 1.0 1.8 4.0 1985 1462 A 115 PHE H A 114 ILE HA 1.0 1.8 4.0 1986 1463 A 115 PHE H A 114 ILE HG1y 1.0 1.8 5.5 1987 1463 A 114 ILE HG1x A 115 PHE H 1.0 1.8 5.5 1988 1464 A 114 ILE HD1% A 115 PHE H 1.0 1.8 5.0 1989 1465 A 114 ILE HA A 116 GLU H 1.0 1.8 5.0 1990 1466 A 114 ILE HG2% A 115 PHE HA 1.0 1.8 5.5 1991 1467 A 114 ILE HD1% A 114 ILE HA 1.0 1.8 5.0 1992 1468 A 114 ILE HA A 114 ILE HG1y 1.0 1.8 4.0 1993 1468 A 114 ILE HG1x A 114 ILE HA 1.0 1.8 4.0 1994 1469 A 114 ILE HG2% A 114 ILE HA 1.0 1.8 4.0 1995 1470 A 114 ILE H A 115 PHE HA 1.0 1.8 6.0 1996 1471 A 115 PHE H A 115 PHE HA 1.0 1.8 3.5 1997 1472 A 115 PHE H A 115 PHE HBx 1.0 1.8 3.5 1998 1472 A 115 PHE HBy A 115 PHE H 1.0 1.8 3.5 1999 1473 A 115 PHE H A 115 PHE HD% 1.0 1.8 5.5 2000 1474 A 116 GLU H A 115 PHE HA 1.0 1.8 4.0 2001 1475 A 116 GLU H A 115 PHE HBx 1.0 1.8 4.0 2002 1475 A 115 PHE HBy A 116 GLU H 1.0 1.8 4.0 2003 1476 A 116 GLU H A 115 PHE HD% 1.0 1.8 5.5 2004 1477 A 115 PHE HA A 115 PHE HD% 1.0 1.8 4.0 2005 1478 A 115 PHE HD% A 115 PHE HBx 1.0 1.8 4.0 2006 1479 A 115 PHE HBy A 115 PHE HD% 1.0 1.8 4.0 2007 1480 A 115 PHE HA A 116 GLU HGx 1.0 1.8 6.0 2008 1480 A 115 PHE HA A 116 GLU HGy 1.0 1.8 6.0 2009 1481 A 116 GLU H A 116 GLU HA 1.0 1.8 3.5 2010 1482 A 116 GLU H A 116 GLU HBy 1.0 1.8 3.5 2011 1482 A 116 GLU H A 116 GLU HBx 1.0 1.8 3.5 2012 1483 A 116 GLU H A 116 GLU HGx 1.0 1.8 4.5 2013 1483 A 116 GLU H A 116 GLU HGy 1.0 1.8 4.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . 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 73 GLU H A 69 ALA O 1.0 1.6 2.4 2 2 A 69 ALA O A 73 GLU N 1.0 2.4 3.3 3 3 A 76 LEU H A 72 VAL O 1.0 1.6 2.4 4 4 A 72 VAL O A 76 LEU N 1.0 2.4 3.3 5 5 A 80 ILE H A 76 LEU O 1.0 1.6 2.4 6 6 A 76 LEU O A 80 ILE N 1.0 2.4 3.3 7 7 A 95 VAL H A 91 GLU O 1.0 1.6 2.4 8 8 A 91 GLU O A 95 VAL N 1.0 2.4 3.3 9 9 A 98 LEU H A 94 ILE O 1.0 1.6 2.4 10 10 A 94 ILE O A 98 LEU N 1.0 2.4 3.3 11 11 A 58 LEU H A 54 ALA O 1.0 1.6 2.4 12 12 A 54 ALA O A 58 LEU N 1.0 2.4 3.3 13 13 A 72 VAL H A 68 ARG O 1.0 1.6 2.4 14 14 A 68 ARG O A 72 VAL N 1.0 2.4 3.3 15 15 A 75 TYR H A 71 ALA O 1.0 1.6 2.4 16 16 A 71 ALA O A 75 TYR N 1.0 2.4 3.3 17 17 A 79 LEU H A 75 TYR O 1.0 1.6 2.4 18 18 A 75 TYR O A 79 LEU N 1.0 2.4 3.3 19 19 A 97 ILE H A 93 GLU O 1.0 1.6 2.6 20 20 A 93 GLU O A 97 ILE N 1.0 2.4 3.5 21 21 A 56 GLU H A 52 PRO O 1.0 1.6 2.6 22 22 A 52 PRO O A 56 GLU N 1.0 2.4 3.5 23 23 A 59 SER H A 55 LEU O 1.0 1.6 2.4 24 24 A 55 LEU O A 59 SER N 1.0 2.4 3.3 25 25 A 61 VAL H A 57 ARG O 1.0 1.6 2.4 26 26 A 57 ARG O A 61 VAL N 1.0 2.4 3.3 27 27 A 74 THR H A 70 GLN O 1.0 1.6 2.4 28 28 A 70 GLN O A 74 THR N 1.0 2.4 3.3 29 29 A 77 LYS H A 73 GLU O 1.0 1.6 2.6 30 30 A 73 GLU O A 77 LYS N 1.0 2.4 3.5 31 31 A 78 LYS H A 74 THR O 1.0 1.6 2.6 32 32 A 74 THR O A 78 LYS N 1.0 2.4 3.5 33 33 A 94 ILE H A 90 THR O 1.0 1.6 2.6 34 34 A 90 THR O A 94 ILE N 1.0 2.4 3.5 35 35 A 96 SER H A 92 ALA O 1.0 1.6 2.6 36 36 A 92 ALA O A 96 SER N 1.0 2.4 3.5 37 37 A 104 GLN H A 100 GLY O 1.0 1.6 2.6 38 38 A 100 GLY O A 104 GLN N 1.0 2.4 3.5 39 39 A 102 ALA H A 98 LEU O 1.0 1.6 2.6 40 40 A 98 LEU O A 102 ALA N 1.0 2.4 3.5 41 41 A 101 ILE H A 97 ILE O 1.0 1.6 2.6 42 42 A 97 ILE O A 101 ILE N 1.0 2.4 3.5 43 43 A 100 GLY H A 96 SER O 1.0 1.6 2.6 44 44 A 96 SER O A 100 GLY N 1.0 2.4 3.5 45 45 A 99 ASN H A 95 VAL O 1.0 1.6 2.6 46 46 A 95 VAL O A 99 ASN N 1.0 2.4 3.5 47 47 A 82 THR H A 78 LYS O 1.0 1.6 2.6 48 48 A 78 LYS O A 82 THR N 1.0 2.4 3.5 49 49 A 81 ALA H A 77 LYS O 1.0 1.6 2.6 50 50 A 77 LYS O A 81 ALA N 1.0 2.4 3.5 51 51 A 71 ALA H A 67 ASP O 1.0 1.6 2.6 52 52 A 67 ASP O A 71 ALA N 1.0 2.4 3.5 53 53 A 70 GLN H A 66 ARG O 1.0 1.6 2.6 54 54 A 66 ARG O A 70 GLN N 1.0 2.4 3.5 55 55 A 62 ALA H A 58 LEU O 1.0 1.6 2.6 56 56 A 58 LEU O A 62 ALA N 1.0 2.4 3.5 57 57 A 57 ARG H A 53 GLN O 1.0 1.6 2.6 58 58 A 53 GLN O A 57 ARG N 1.0 2.4 3.5 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 PRO C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -75.72 -49.56 PHI 2 2 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 LEU N 1.0 -52.48 -30.84 PSI 3 3 A 4 GLU C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -75.18 -54.96 PHI 4 4 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 GLN N 1.0 -59.11 -11.93 PSI 5 5 A 5 LEU C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -65.78 -56.92 PHI 6 6 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 CYS N 1.0 -53.95 -30.57 PSI 7 7 A 7 CYS C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -70.39 -55.15 PHI 8 8 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 ARG N 1.0 -43.85 -34.05 PSI 9 9 A 8 ILE C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -73.82 -58.80 PHI 10 10 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 GLU N 1.0 -43.51 -32.13 PSI 11 11 A 9 ARG C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -71.65 -61.07 PHI 12 12 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 CYS N 1.0 -49.50 -35.22 PSI 13 13 A 11 CYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -70.70 -53.88 PHI 14 14 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 LEU N 1.0 -50.63 -35.01 PSI 15 15 A 12 ARG C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -71.92 -54.92 PHI 16 16 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 ALA N 1.0 -51.59 -33.65 PSI 17 17 A 13 LEU C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -77.74 -54.48 PHI 18 18 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 GLN N 1.0 -48.51 -27.19 PSI 19 19 A 14 ALA C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -78.72 -56.60 PHI 20 20 A 15 GLN N A 15 GLN CA A 15 GLN C A 16 LEU N 1.0 -55.29 -9.51 PSI 21 21 A 43 GLY C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -71.96 -50.28 PHI 22 22 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 ALA N 1.0 -46.69 -25.29 PSI 23 23 A 44 ALA C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -82.85 -57.51 PHI 24 24 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 ILE N 1.0 -39.71 -18.13 PSI 25 25 A 45 ALA C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -120.97 -81.41 PHI 26 26 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 ALA N 1.0 -25.21 11.73 PSI 27 27 A 46 ILE C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -64.83 -47.51 PHI 28 28 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 ASN N 1.0 -49.15 -21.79 PSI 29 29 A 47 ALA C A 48 ASN N A 48 ASN CA A 48 ASN C 1.0 -83.13 -66.93 PHI 30 30 A 48 ASN N A 48 ASN CA A 48 ASN C A 49 PHE N 1.0 -29.03 -4.63 PSI 31 31 A 51 GLU C A 52 PRO N A 52 PRO CA A 52 PRO C 1.0 -61.92 -53.62 PHI 32 32 A 52 PRO C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -69.63 -61.05 PHI 33 33 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 ALA N 1.0 -47.22 -26.98 PSI 34 34 A 53 GLN C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -68.06 -60.76 PHI 35 35 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 LEU N 1.0 -49.47 -29.61 PSI 36 36 A 54 ALA C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -71.96 -59.72 PHI 37 37 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 GLU N 1.0 -45.59 -27.09 PSI 38 38 A 55 LEU C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -72.05 -56.27 PHI 39 39 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 ARG N 1.0 -47.54 -35.68 PSI 40 40 A 56 GLU C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -74.39 -58.85 PHI 41 41 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 LEU N 1.0 -55.62 -43.12 PSI 42 42 A 57 ARG C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -70.70 -56.36 PHI 43 43 A 58 LEU C A 59 SER N A 59 SER CA A 59 SER C 1.0 -65.27 -60.01 PHI 44 44 A 59 SER N A 59 SER CA A 59 SER C A 60 ARG N 1.0 -46.89 -36.27 PSI 45 45 A 59 SER C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -66.56 -61.54 PHI 46 46 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 VAL N 1.0 -45.47 -35.41 PSI 47 47 A 60 ARG C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -68.81 -59.39 PHI 48 48 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 ALA N 1.0 -48.42 -40.98 PSI 49 49 A 65 ARG C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -60.11 -49.53 PHI 50 50 A 66 ARG N A 66 ARG CA A 66 ARG C A 67 ASP N 1.0 -47.94 -32.48 PSI 51 51 A 66 ARG C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -66.44 -55.24 PHI 52 52 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 ARG N 1.0 -46.11 -34.25 PSI 53 53 A 67 ASP C A 68 ARG N A 68 ARG CA A 68 ARG C 1.0 -71.34 -65.80 PHI 54 54 A 68 ARG N A 68 ARG CA A 68 ARG C A 69 ALA N 1.0 -48.90 -36.70 PSI 55 55 A 68 ARG C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -65.99 -59.69 PHI 56 56 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 GLN N 1.0 -36.67 -25.05 PSI 57 57 A 69 ALA C A 70 GLN N A 70 GLN CA A 70 GLN C 1.0 -74.07 -67.09 PHI 58 58 A 70 GLN N A 70 GLN CA A 70 GLN C A 71 ALA N 1.0 -48.32 -34.86 PSI 59 59 A 70 GLN C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -76.11 -62.61 PHI 60 60 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 VAL N 1.0 -45.75 -29.89 PSI 61 61 A 71 ALA C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -70.15 -61.21 PHI 62 62 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 GLU N 1.0 -48.29 -37.73 PSI 63 63 A 72 VAL C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -68.74 -55.56 PHI 64 64 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 THR N 1.0 -45.61 -34.73 PSI 65 65 A 73 GLU C A 74 THR N A 74 THR CA A 74 THR C 1.0 -76.58 -57.88 PHI 66 66 A 74 THR N A 74 THR CA A 74 THR C A 75 TYR N 1.0 -39.00 -22.16 PSI 67 67 A 74 THR C A 75 TYR N A 75 TYR CA A 75 TYR C 1.0 -66.12 -54.36 PHI 68 68 A 75 TYR N A 75 TYR CA A 75 TYR C A 76 LEU N 1.0 -48.13 -39.07 PSI 69 69 A 75 TYR C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -68.84 -64.04 PHI 70 70 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 LYS N 1.0 -45.81 -36.85 PSI 71 71 A 76 LEU C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -70.58 -58.22 PHI 72 72 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 LYS N 1.0 -44.19 -34.29 PSI 73 73 A 77 LYS C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -68.44 -63.88 PHI 74 74 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 LEU N 1.0 -46.07 -34.41 PSI 75 75 A 78 LYS C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -68.25 -59.61 PHI 76 76 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 ILE N 1.0 -46.77 -33.95 PSI 77 77 A 79 LEU C A 80 ILE N A 80 ILE CA A 80 ILE C 1.0 -68.51 -59.63 PHI 78 78 A 80 ILE N A 80 ILE CA A 80 ILE C A 81 ALA N 1.0 -44.01 -30.29 PSI 79 79 A 80 ILE C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -73.64 -54.32 PHI 80 80 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 THR N 1.0 -37.03 -20.69 PSI 81 81 A 90 THR C A 91 GLU N A 91 GLU CA A 91 GLU C 1.0 -64.07 -54.93 PHI 82 82 A 91 GLU N A 91 GLU CA A 91 GLU C A 92 ALA N 1.0 -44.92 -30.74 PSI 83 83 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 GLU N 1.0 -45.78 -32.64 PSI 84 84 A 92 ALA C A 93 GLU N A 93 GLU CA A 93 GLU C 1.0 -74.65 -57.05 PHI 85 85 A 93 GLU N A 93 GLU CA A 93 GLU C A 94 ILE N 1.0 -47.44 -35.06 PSI 86 86 A 93 GLU C A 94 ILE N A 94 ILE CA A 94 ILE C 1.0 -74.75 -63.39 PHI 87 87 A 94 ILE N A 94 ILE CA A 94 ILE C A 95 VAL N 1.0 -45.62 -36.12 PSI 88 88 A 94 ILE C A 95 VAL N A 95 VAL CA A 95 VAL C 1.0 -67.14 -55.70 PHI 89 89 A 95 VAL N A 95 VAL CA A 95 VAL C A 96 SER N 1.0 -49.35 -41.37 PSI 90 90 A 95 VAL C A 96 SER N A 96 SER CA A 96 SER C 1.0 -65.80 -57.82 PHI 91 91 A 96 SER N A 96 SER CA A 96 SER C A 97 ILE N 1.0 -45.42 -25.44 PSI 92 92 A 96 SER C A 97 ILE N A 97 ILE CA A 97 ILE C 1.0 -76.33 -59.27 PHI 93 93 A 97 ILE N A 97 ILE CA A 97 ILE C A 98 LEU N 1.0 -48.22 -35.68 PSI 94 94 A 97 ILE C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -67.32 -55.34 PHI 95 95 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 ASN N 1.0 -49.75 -40.09 PSI 96 96 A 98 LEU C A 99 ASN N A 99 ASN CA A 99 ASN C 1.0 -69.66 -57.52 PHI 97 97 A 99 ASN N A 99 ASN CA A 99 ASN C A 100 GLY N 1.0 -45.17 -33.65 PSI 98 98 A 99 ASN C A 100 GLY N A 100 GLY CA A 100 GLY C 1.0 -81.72 -71.36 PHI 99 99 A 100 GLY N A 100 GLY CA A 100 GLY C A 101 ILE N 1.0 -42.02 -30.94 PSI 100 100 A 100 GLY C A 101 ILE N A 101 ILE CA A 101 ILE C 1.0 -75.26 -53.44 PHI 101 101 A 101 ILE N A 101 ILE CA A 101 ILE C A 102 ALA N 1.0 -53.24 -35.90 PSI 102 102 A 101 ILE C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -75.01 -60.57 PHI 103 103 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 LYS N 1.0 -46.19 -24.09 PSI 104 104 A 102 ALA C A 103 LYS N A 103 LYS CA A 103 LYS C 1.0 -77.69 -54.13 PHI 105 105 A 103 LYS N A 103 LYS CA A 103 LYS C A 104 GLN N 1.0 -45.76 -26.92 PSI 106 106 A 103 LYS C A 104 GLN N A 104 GLN CA A 104 GLN C 1.0 -80.71 -57.21 PHI 107 107 A 104 GLN N A 104 GLN CA A 104 GLN C A 105 GLN N 1.0 -57.47 -10.27 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_7 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_7 _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 4 GLU N A 4 GLU H 1.0 . . . 2 2 A 8 ILE N A 8 ILE H 1.0 . . . 3 3 A 9 ARG N A 9 ARG H 1.0 . . . 4 4 A 10 GLU N A 10 GLU H 1.0 . . . 5 5 A 11 CYS N A 11 CYS H 1.0 . . . 6 6 A 12 ARG N A 12 ARG H 1.0 . . . 7 7 A 14 ALA N A 14 ALA H 1.0 . . . 8 8 A 15 GLN N A 15 GLN H 1.0 . . . 9 9 A 42 VAL N A 42 VAL H 1.0 . . . 10 10 A 43 GLY N A 43 GLY H 1.0 . . . 11 11 A 50 LEU N A 50 LEU H 1.0 . . . 12 12 A 51 GLU N A 51 GLU H 1.0 . . . 13 13 A 54 ALA N A 54 ALA H 1.0 . . . 14 14 A 61 VAL N A 61 VAL H 1.0 . . . 15 15 A 62 ALA N A 62 ALA H 1.0 . . . 16 16 A 63 LEU N A 63 LEU H 1.0 . . . 17 17 A 64 VAL N A 64 VAL H 1.0 . . . 18 18 A 65 ARG N A 65 ARG H 1.0 . . . 19 19 A 67 ASP N A 67 ASP H 1.0 . . . 20 20 A 69 ALA N A 69 ALA H 1.0 . . . 21 21 A 71 ALA N A 71 ALA H 1.0 . . . 22 22 A 74 THR N A 74 THR H 1.0 . . . 23 23 A 79 LEU N A 79 LEU H 1.0 . . . 24 24 A 85 VAL N A 85 VAL H 1.0 . . . 25 25 A 91 GLU N A 91 GLU H 1.0 . . . 26 26 A 95 VAL N A 95 VAL H 1.0 . . . 27 27 A 98 LEU N A 98 LEU H 1.0 . . . 28 28 A 100 GLY N A 100 GLY H 1.0 . . . stop_ save_