data_nef_c15763_2k3j save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_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 68 CYS SG 1 101 CYS SG 1 78 CYS SG 1 91 CYS SG 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 GLY start . false 2 A 2 SER middle . . 3 A 3 PHE middle . . 4 A 4 THR middle . . 5 A 5 MET middle . . 6 A 6 SER middle . . 7 A 7 TYR middle . . 8 A 8 CYS middle . . 9 A 9 ARG middle . . 10 A 10 GLN middle . . 11 A 11 GLU middle . . 12 A 12 GLY middle . false 13 A 13 LYS middle . . 14 A 14 ASP middle . . 15 A 15 ARG middle . . 16 A 16 ILE middle . . 17 A 17 ILE middle . . 18 A 18 PHE middle . . 19 A 19 VAL middle . . 20 A 20 THR middle . . 21 A 21 LYS middle . . 22 A 22 GLU middle . . 23 A 23 ASP middle . . 24 A 24 HIS middle . . 25 A 25 GLU middle . . 26 A 26 THR middle . . 27 A 27 PRO middle . false 28 A 28 SER middle . . 29 A 29 SER middle . . 30 A 30 ALA middle . . 31 A 31 GLU middle . . 32 A 32 LEU middle . . 33 A 33 VAL middle . . 34 A 34 ALA middle . . 35 A 35 ASP middle . . 36 A 36 ASP middle . . 37 A 37 PRO middle . false 38 A 38 ASN middle . . 39 A 39 ASP middle . . 40 A 40 PRO middle . false 41 A 41 TYR middle . . 42 A 42 GLU middle . . 43 A 43 GLU middle . . 44 A 44 HIS middle . . 45 A 45 GLY middle . false 46 A 46 LEU middle . . 47 A 47 ILE middle . . 48 A 48 LEU middle . . 49 A 49 PRO middle . false 50 A 50 ASN middle . . 51 A 51 GLY middle . false 52 A 52 ASN middle . . 53 A 53 ILE middle . . 54 A 54 ASN middle . . 55 A 55 TRP middle . . 56 A 56 ASN middle . . 57 A 57 CYS middle . . 58 A 58 PRO middle . false 59 A 59 CYS middle . . 60 A 60 LEU middle . . 61 A 61 GLY middle . false 62 A 62 GLY middle . false 63 A 63 MET middle . . 64 A 64 ALA middle . . 65 A 65 SER middle . . 66 A 66 GLY middle . false 67 A 67 PRO middle . false 68 A 68 CYS middle -HG . 69 A 69 GLY middle . false 70 A 70 GLU middle . . 71 A 71 GLN middle . . 72 A 72 PHE middle . . 73 A 73 LYS middle . . 74 A 74 SER middle . . 75 A 75 ALA middle . . 76 A 76 PHE middle . . 77 A 77 SER middle . . 78 A 78 CYS middle -HG . 79 A 79 PHE middle . . 80 A 80 HIS middle . . 81 A 81 TYR middle . . 82 A 82 SER middle . . 83 A 83 THR middle . . 84 A 84 GLU middle . . 85 A 85 GLU middle . . 86 A 86 ILE middle . . 87 A 87 LYS middle . . 88 A 88 GLY middle . false 89 A 89 SER middle . . 90 A 90 ASP middle . . 91 A 91 CYS middle -HG . 92 A 92 VAL middle . . 93 A 93 ASP middle . . 94 A 94 GLN middle . . 95 A 95 PHE middle . . 96 A 96 ARG middle . . 97 A 97 ALA middle . . 98 A 98 MET middle . . 99 A 99 GLN middle . . 100 A 100 GLU middle . . 101 A 101 CYS middle -HG . 102 A 102 MET middle . . 103 A 103 GLN middle . . 104 A 104 LYS middle . . 105 A 105 TYR middle . . 106 A 106 PRO middle . false 107 A 107 ASP middle . . 108 A 108 LEU middle . . 109 A 109 TYR middle . . 110 A 110 PRO middle . false 111 A 111 GLN middle . . 112 A 112 GLU middle . . 113 A 113 ASP middle . . 114 A 114 GLU middle . . 115 A 115 ASP middle . . 116 A 116 GLU middle . . 117 A 117 GLU middle . . 118 A 118 GLU middle . . 119 A 119 GLU middle . . 120 A 120 ARG middle . . 121 A 121 GLU middle . . 122 A 122 LYS middle . . 123 A 123 LYS middle . . 124 A 124 PRO middle . false 125 A 125 ALA middle . . 126 A 126 GLU middle . . 127 A 127 GLN middle . . 128 A 128 ALA middle . . 129 A 129 GLU middle . . 130 A 130 GLU middle . . 131 A 131 THR middle . . 132 A 132 ALA middle . . 133 A 133 PRO middle . false 134 A 134 ILE middle . . 135 A 135 GLU middle . . 136 A 136 ALA middle . . 137 A 137 THR middle . . 138 A 138 ALA middle . . 139 A 139 THR middle . . 140 A 140 LYS middle . . 141 A 141 GLU middle . . 142 A 142 GLU middle . . 143 A 143 GLU middle . . 144 A 144 GLY middle . false 145 A 145 SER middle . . 146 A 146 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 45 GLY H H 1 8.31 0.02 A 45 GLY HAx H 1 3.62 0.02 A 45 GLY HAy H 1 3.94 0.02 A 45 GLY C C 13 171.0 0.3 A 45 GLY CA C 13 42.7 0.3 A 45 GLY N N 15 109.3 0.3 A 46 LEU HA H 1 3.97 0.02 A 46 LEU HBx H 1 1.42 0.02 A 46 LEU HBy H 1 1.49 0.02 A 46 LEU HD1% H 1 0.61 0.02 A 46 LEU HD2% H 1 0.63 0.02 A 46 LEU HG H 1 0.65 0.02 A 46 LEU CA C 13 55.0 0.3 A 46 LEU CB C 13 40.3 0.3 A 46 LEU CD1 C 13 21.6 0.3 A 46 LEU CD2 C 13 21.5 0.3 A 46 LEU CG C 13 23.0 0.3 A 47 ILE H H 1 7.57 0.02 A 47 ILE HA H 1 4.27 0.02 A 47 ILE HB H 1 1.73 0.02 A 47 ILE HD1% H 1 0.21 0.02 A 47 ILE HG1y H 1 1.18 0.02 A 47 ILE HG1x H 1 1.12 0.02 A 47 ILE HG2% H 1 0.76 0.02 A 47 ILE C C 13 174.5 0.3 A 47 ILE CA C 13 54.6 0.3 A 47 ILE CB C 13 34.5 0.3 A 47 ILE CD1 C 13 7.6 0.3 A 47 ILE CG1 C 13 23.6 0.3 A 47 ILE CG2 C 13 14.3 0.3 A 47 ILE N N 15 115.0 0.3 A 48 LEU H H 1 8.76 0.02 A 48 LEU HA H 1 4.26 0.02 A 48 LEU HBy H 1 1.76 0.02 A 48 LEU HBx H 1 1.35 0.02 A 48 LEU HD1% H 1 0.71 0.02 A 48 LEU HD2% H 1 0.71 0.02 A 48 LEU HG H 1 0.71 0.02 A 48 LEU C C 13 174.4 0.3 A 48 LEU CA C 13 51.2 0.3 A 48 LEU CB C 13 37.8 0.3 A 48 LEU CD1 C 13 19.6 0.3 A 48 LEU CD2 C 13 19.6 0.3 A 48 LEU CG C 13 22.9 0.3 A 48 LEU N N 15 127.4 0.3 A 49 PRO HA H 1 4.17 0.02 A 49 PRO HBy H 1 2.26 0.02 A 49 PRO HBx H 1 1.75 0.02 A 49 PRO HD2 H 1 3.58 0.02 A 49 PRO HG2 H 1 1.91 0.02 A 49 PRO CA C 13 62.5 0.3 A 49 PRO CB C 13 28.9 0.3 A 49 PRO CD C 13 47.4 0.3 A 49 PRO CG C 13 24.8 0.3 A 50 ASN H H 1 7.18 0.02 A 50 ASN HA H 1 4.42 0.02 A 50 ASN HBy H 1 3.10 0.02 A 50 ASN HBx H 1 2.66 0.02 A 50 ASN HD21 H 1 6.43 0.02 A 50 ASN HD22 H 1 7.28 0.02 A 50 ASN C C 13 173.7 0.3 A 50 ASN CA C 13 49.5 0.3 A 50 ASN CB C 13 34.4 0.3 A 50 ASN N N 15 111.0 0.3 A 50 ASN ND2 N 15 107.2 0.3 A 51 GLY H H 1 8.37 0.02 A 51 GLY HAy H 1 4.22 0.02 A 51 GLY HAx H 1 3.40 0.02 A 51 GLY C C 13 171.5 0.3 A 51 GLY CA C 13 42.2 0.3 A 51 GLY N N 15 108.4 0.3 A 52 ASN H H 1 7.81 0.02 A 52 ASN HA H 1 4.67 0.02 A 52 ASN HBx H 1 2.75 0.02 A 52 ASN HBy H 1 2.79 0.02 A 52 ASN HD21 H 1 6.92 0.02 A 52 ASN HD22 H 1 7.07 0.02 A 52 ASN C C 13 170.9 0.3 A 52 ASN CA C 13 49.4 0.3 A 52 ASN CB C 13 36.1 0.3 A 52 ASN N N 15 119.1 0.3 A 52 ASN ND2 N 15 110.8 0.3 A 53 ILE H H 1 8.07 0.02 A 53 ILE HA H 1 3.47 0.02 A 53 ILE HB H 1 0.52 0.02 A 53 ILE HD1% H 1 0.48 0.02 A 53 ILE HG1x H 1 0.15 0.02 A 53 ILE HG1y H 1 1.30 0.02 A 53 ILE HG2% H 1 -0.83 0.02 A 53 ILE C C 13 172.3 0.3 A 53 ILE CA C 13 59.1 0.3 A 53 ILE CB C 13 36.0 0.3 A 53 ILE CD1 C 13 11.1 0.3 A 53 ILE CG1 C 13 26.0 0.3 A 53 ILE CG2 C 13 12.7 0.3 A 53 ILE N N 15 120.1 0.3 A 54 ASN H H 1 8.70 0.02 A 54 ASN HA H 1 4.35 0.02 A 54 ASN HBy H 1 3.24 0.02 A 54 ASN HBx H 1 2.09 0.02 A 54 ASN HD21 H 1 7.01 0.02 A 54 ASN HD22 H 1 7.70 0.02 A 54 ASN C C 13 172.3 0.3 A 54 ASN CA C 13 47.5 0.3 A 54 ASN CB C 13 34.2 0.3 A 54 ASN N N 15 123.2 0.3 A 54 ASN ND2 N 15 110.3 0.3 A 55 TRP H H 1 7.52 0.02 A 55 TRP HA H 1 4.30 0.02 A 55 TRP HBy H 1 3.24 0.02 A 55 TRP HBx H 1 2.85 0.02 A 55 TRP HD1 H 1 7.30 0.02 A 55 TRP HE1 H 1 10.10 0.02 A 55 TRP HE3 H 1 7.31 0.02 A 55 TRP HH2 H 1 7.35 0.02 A 55 TRP HZ2 H 1 7.46 0.02 A 55 TRP HZ3 H 1 6.71 0.02 A 55 TRP C C 13 172.1 0.3 A 55 TRP CA C 13 55.2 0.3 A 55 TRP CB C 13 26.4 0.3 A 55 TRP N N 15 124.6 0.3 A 56 ASN H H 1 7.38 0.02 A 56 ASN HA H 1 4.72 0.02 A 56 ASN HBy H 1 2.86 0.02 A 56 ASN HBx H 1 2.57 0.02 A 56 ASN HD21 H 1 6.88 0.02 A 56 ASN HD22 H 1 7.63 0.02 A 56 ASN C C 13 172.1 0.3 A 56 ASN CA C 13 49.5 0.3 A 56 ASN CB C 13 36.2 0.3 A 56 ASN N N 15 112.5 0.3 A 56 ASN ND2 N 15 113.5 0.3 A 57 CYS H H 1 7.46 0.02 A 57 CYS HA H 1 4.28 0.02 A 57 CYS HBy H 1 3.14 0.02 A 57 CYS HBx H 1 2.49 0.02 A 57 CYS C C 13 173.0 0.3 A 57 CYS CA C 13 54.9 0.3 A 57 CYS CB C 13 25.0 0.3 A 57 CYS N N 15 123.0 0.3 A 58 PRO HA H 1 4.20 0.02 A 58 PRO HBx H 1 1.94 0.02 A 58 PRO HBy H 1 2.31 0.02 A 58 PRO HD2 H 1 3.94 0.02 A 58 PRO HG2 H 1 1.94 0.02 A 58 PRO CA C 13 62.7 0.3 A 58 PRO CB C 13 29.3 0.3 A 58 PRO CD C 13 49.3 0.3 A 58 PRO CG C 13 25.0 0.3 A 59 CYS HA H 1 4.39 0.02 A 59 CYS HB2 H 1 2.89 0.02 A 59 CYS CA C 13 57.0 0.3 A 59 CYS CB C 13 24.4 0.3 A 60 LEU H H 1 7.50 0.02 A 60 LEU HA H 1 4.18 0.02 A 60 LEU HBy H 1 1.74 0.02 A 60 LEU HBx H 1 1.42 0.02 A 60 LEU HD1% H 1 0.11 0.02 A 60 LEU HD2% H 1 0.11 0.02 A 60 LEU HG H 1 0.60 0.02 A 60 LEU C C 13 175.7 0.3 A 60 LEU CA C 13 52.0 0.3 A 60 LEU CB C 13 39.0 0.3 A 60 LEU CD1 C 13 19.3 0.3 A 60 LEU CD2 C 13 19.0 0.3 A 60 LEU CG C 13 23.5 0.3 A 60 LEU N N 15 117.7 0.3 A 61 GLY H H 1 7.88 0.02 A 61 GLY HAy H 1 3.83 0.02 A 61 GLY HAx H 1 3.68 0.02 A 61 GLY C C 13 172.7 0.3 A 61 GLY CA C 13 44.7 0.3 A 61 GLY N N 15 105.7 0.3 A 62 GLY H H 1 8.58 0.02 A 62 GLY HAy H 1 3.81 0.02 A 62 GLY HAx H 1 3.68 0.02 A 62 GLY C C 13 174.0 0.3 A 62 GLY CA C 13 42.8 0.3 A 62 GLY N N 15 108.5 0.3 A 63 MET H H 1 7.46 0.02 A 63 MET HA H 1 3.87 0.02 A 63 MET HBx H 1 0.44 0.02 A 63 MET HBy H 1 0.77 0.02 A 63 MET HGx H 1 2.11 0.02 A 63 MET HGy H 1 2.17 0.02 A 63 MET C C 13 174.6 0.3 A 63 MET CA C 13 54.4 0.3 A 63 MET CB C 13 27.6 0.3 A 63 MET CG C 13 30.5 0.3 A 63 MET N N 15 118.5 0.3 A 64 ALA H H 1 8.08 0.02 A 64 ALA HA H 1 4.22 0.02 A 64 ALA HB% H 1 1.37 0.02 A 64 ALA C C 13 173.8 0.3 A 64 ALA CA C 13 50.4 0.3 A 64 ALA CB C 13 16.5 0.3 A 64 ALA N N 15 117.5 0.3 A 65 SER H H 1 7.46 0.02 A 65 SER HA H 1 4.57 0.02 A 65 SER HBx H 1 3.73 0.02 A 65 SER HBy H 1 3.76 0.02 A 65 SER C C 13 171.5 0.3 A 65 SER CA C 13 54.8 0.3 A 65 SER CB C 13 61.8 0.3 A 65 SER N N 15 111.2 0.3 A 66 GLY H H 1 7.48 0.02 A 66 GLY HAx H 1 3.98 0.02 A 66 GLY HAy H 1 4.03 0.02 A 66 GLY C C 13 170.6 0.3 A 66 GLY CA C 13 42.0 0.3 A 66 GLY N N 15 108.8 0.3 A 67 PRO HA H 1 4.21 0.02 A 67 PRO HBy H 1 1.80 0.02 A 67 PRO HBx H 1 1.30 0.02 A 67 PRO HDy H 1 3.39 0.02 A 67 PRO HDx H 1 3.28 0.02 A 67 PRO HGx H 1 1.21 0.02 A 67 PRO HGy H 1 1.25 0.02 A 67 PRO CA C 13 62.0 0.3 A 67 PRO CB C 13 28.9 0.3 A 67 PRO CD C 13 46.6 0.3 A 67 PRO CG C 13 24.4 0.3 A 68 CYS H H 1 7.70 0.02 A 68 CYS HA H 1 5.45 0.02 A 68 CYS HBy H 1 3.19 0.02 A 68 CYS HBx H 1 2.17 0.02 A 68 CYS C C 13 173.5 0.3 A 68 CYS CA C 13 49.5 0.3 A 68 CYS CB C 13 36.2 0.3 A 68 CYS N N 15 115.3 0.3 A 69 GLY H H 1 7.84 0.02 A 69 GLY HAy H 1 3.95 0.02 A 69 GLY HAx H 1 3.55 0.02 A 69 GLY C C 13 173.3 0.3 A 69 GLY CA C 13 45.2 0.3 A 69 GLY N N 15 110.2 0.3 A 70 GLU H H 1 8.65 0.02 A 70 GLU HA H 1 3.76 0.02 A 70 GLU HBx H 1 1.77 0.02 A 70 GLU HBy H 1 1.83 0.02 A 70 GLU HGy H 1 2.21 0.02 A 70 GLU HGx H 1 2.11 0.02 A 70 GLU C C 13 176.8 0.3 A 70 GLU CA C 13 56.3 0.3 A 70 GLU CB C 13 26.0 0.3 A 70 GLU CG C 13 33.2 0.3 A 70 GLU N N 15 120.0 0.3 A 71 GLN H H 1 8.86 0.02 A 71 GLN HA H 1 3.85 0.02 A 71 GLN HBy H 1 2.21 0.02 A 71 GLN HBx H 1 1.56 0.02 A 71 GLN HE21 H 1 7.41 0.02 A 71 GLN HE22 H 1 6.86 0.02 A 71 GLN HGx H 1 2.36 0.02 A 71 GLN HGy H 1 2.42 0.02 A 71 GLN C C 13 177.4 0.3 A 71 GLN CA C 13 57.2 0.3 A 71 GLN CB C 13 24.4 0.3 A 71 GLN CG C 13 31.9 0.3 A 71 GLN N N 15 120.8 0.3 A 71 GLN NE2 N 15 109.5 0.3 A 72 PHE H H 1 8.89 0.02 A 72 PHE HA H 1 4.20 0.02 A 72 PHE HBx H 1 2.83 0.02 A 72 PHE HBy H 1 3.08 0.02 A 72 PHE HD1 H 1 6.95 0.02 A 72 PHE HE1 H 1 7.16 0.02 A 72 PHE HZ H 1 6.80 0.02 A 72 PHE C C 13 173.5 0.3 A 72 PHE CA C 13 59.0 0.3 A 72 PHE CB C 13 36.0 0.3 A 72 PHE N N 15 123.4 0.3 A 73 LYS H H 1 8.48 0.02 A 73 LYS HA H 1 3.43 0.02 A 73 LYS HBx H 1 1.04 0.02 A 73 LYS HBy H 1 1.41 0.02 A 73 LYS HDx H 1 0.67 0.02 A 73 LYS HDy H 1 0.84 0.02 A 73 LYS HE2 H 1 1.91 0.02 A 73 LYS HGy H 1 1.06 0.02 A 73 LYS HGx H 1 -1.05 0.02 A 73 LYS C C 13 177.6 0.3 A 73 LYS CA C 13 56.7 0.3 A 73 LYS CB C 13 29.6 0.3 A 73 LYS CD C 13 26.9 0.3 A 73 LYS CE C 13 38.5 0.3 A 73 LYS CG C 13 21.7 0.3 A 73 LYS N N 15 119.9 0.3 A 74 SER H H 1 7.78 0.02 A 74 SER HA H 1 4.12 0.02 A 74 SER HBx H 1 3.79 0.02 A 74 SER HBy H 1 3.84 0.02 A 74 SER C C 13 174.3 0.3 A 74 SER CA C 13 58.7 0.3 A 74 SER CB C 13 59.9 0.3 A 74 SER N N 15 114.2 0.3 A 75 ALA H H 1 7.87 0.02 A 75 ALA HA H 1 3.84 0.02 A 75 ALA HB% H 1 1.24 0.02 A 75 ALA C C 13 175.1 0.3 A 75 ALA CA C 13 53.2 0.3 A 75 ALA CB C 13 15.5 0.3 A 75 ALA N N 15 123.1 0.3 A 76 PHE H H 1 9.45 0.02 A 76 PHE HA H 1 3.70 0.02 A 76 PHE HBy H 1 2.51 0.02 A 76 PHE HBx H 1 2.00 0.02 A 76 PHE HD1 H 1 7.37 0.02 A 76 PHE HE1 H 1 7.39 0.02 A 76 PHE C C 13 174.6 0.3 A 76 PHE CA C 13 59.6 0.3 A 76 PHE CB C 13 35.8 0.3 A 76 PHE N N 15 118.8 0.3 A 77 SER H H 1 8.55 0.02 A 77 SER HA H 1 4.13 0.02 A 77 SER HB2 H 1 3.91 0.02 A 77 SER C C 13 172.2 0.3 A 77 SER CA C 13 60.1 0.3 A 77 SER CB C 13 59.8 0.3 A 77 SER N N 15 113.2 0.3 A 78 CYS H H 1 7.43 0.02 A 78 CYS HA H 1 4.08 0.02 A 78 CYS HBy H 1 3.11 0.02 A 78 CYS HBx H 1 3.09 0.02 A 78 CYS C C 13 174.0 0.3 A 78 CYS CA C 13 57.9 0.3 A 78 CYS CB C 13 36.4 0.3 A 78 CYS N N 15 118.9 0.3 A 79 PHE H H 1 8.27 0.02 A 79 PHE HA H 1 3.74 0.02 A 79 PHE HBy H 1 3.07 0.02 A 79 PHE HBx H 1 3.02 0.02 A 79 PHE HD1 H 1 6.91 0.02 A 79 PHE HE1 H 1 7.16 0.02 A 79 PHE C C 13 173.6 0.3 A 79 PHE CA C 13 59.2 0.3 A 79 PHE CB C 13 37.0 0.3 A 79 PHE N N 15 120.4 0.3 A 80 HIS H H 1 8.84 0.02 A 80 HIS HA H 1 3.46 0.02 A 80 HIS HBy H 1 2.24 0.02 A 80 HIS HBx H 1 2.17 0.02 A 80 HIS HD2 H 1 7.30 0.02 A 80 HIS C C 13 175.7 0.3 A 80 HIS CA C 13 57.0 0.3 A 80 HIS CB C 13 28.3 0.3 A 80 HIS N N 15 118.4 0.3 A 81 TYR H H 1 7.71 0.02 A 81 TYR HA H 1 4.08 0.02 A 81 TYR HBy H 1 3.18 0.02 A 81 TYR HBx H 1 2.61 0.02 A 81 TYR HD1 H 1 7.26 0.02 A 81 TYR HE1 H 1 6.82 0.02 A 81 TYR C C 13 172.4 0.3 A 81 TYR CA C 13 56.1 0.3 A 81 TYR CB C 13 34.8 0.3 A 81 TYR N N 15 113.4 0.3 A 82 SER H H 1 7.07 0.02 A 82 SER HA H 1 4.41 0.02 A 82 SER HBx H 1 3.65 0.02 A 82 SER HBy H 1 4.27 0.02 A 82 SER C C 13 174.5 0.3 A 82 SER CA C 13 56.3 0.3 A 82 SER CB C 13 59.2 0.3 A 82 SER N N 15 115.6 0.3 A 83 THR H H 1 9.29 0.02 A 83 THR HA H 1 4.40 0.02 A 83 THR HB H 1 4.46 0.02 A 83 THR HG2% H 1 1.08 0.02 A 83 THR C C 13 172.2 0.3 A 83 THR CA C 13 57.5 0.3 A 83 THR CB C 13 65.8 0.3 A 83 THR CG2 C 13 18.4 0.3 A 83 THR N N 15 120.4 0.3 A 84 GLU H H 1 7.17 0.02 A 84 GLU HA H 1 3.86 0.02 A 84 GLU HBx H 1 1.52 0.02 A 84 GLU HBy H 1 2.05 0.02 A 84 GLU HG2 H 1 2.19 0.02 A 84 GLU C C 13 173.3 0.3 A 84 GLU CA C 13 53.1 0.3 A 84 GLU CB C 13 28.4 0.3 A 84 GLU CG C 13 33.5 0.3 A 84 GLU N N 15 121.6 0.3 A 85 GLU H H 1 8.39 0.02 A 85 GLU HA H 1 3.73 0.02 A 85 GLU HBx H 1 1.84 0.02 A 85 GLU HBy H 1 1.93 0.02 A 85 GLU HGy H 1 2.20 0.02 A 85 GLU HGx H 1 2.11 0.02 A 85 GLU C C 13 175.5 0.3 A 85 GLU CA C 13 56.7 0.3 A 85 GLU CB C 13 26.9 0.3 A 85 GLU CG C 13 33.4 0.3 A 85 GLU N N 15 121.8 0.3 A 86 ILE H H 1 8.06 0.02 A 86 ILE HA H 1 4.06 0.02 A 86 ILE HB H 1 1.74 0.02 A 86 ILE HD1% H 1 0.73 0.02 A 86 ILE HG1y H 1 1.38 0.02 A 86 ILE HG1x H 1 1.05 0.02 A 86 ILE HG2% H 1 0.73 0.02 A 86 ILE C C 13 172.4 0.3 A 86 ILE CA C 13 56.8 0.3 A 86 ILE CB C 13 32.7 0.3 A 86 ILE CD1 C 13 9.4 0.3 A 86 ILE CG1 C 13 24.2 0.3 A 86 ILE CG2 C 13 14.6 0.3 A 86 ILE N N 15 117.8 0.3 A 87 LYS H H 1 8.20 0.02 A 87 LYS HA H 1 3.47 0.02 A 87 LYS HBx H 1 1.55 0.02 A 87 LYS HBy H 1 1.59 0.02 A 87 LYS HDy H 1 1.33 0.02 A 87 LYS HDx H 1 1.19 0.02 A 87 LYS HEx H 1 2.09 0.02 A 87 LYS HEy H 1 2.53 0.02 A 87 LYS HGx H 1 0.46 0.02 A 87 LYS HGy H 1 1.03 0.02 A 87 LYS C C 13 175.2 0.3 A 87 LYS CA C 13 56.8 0.3 A 87 LYS CB C 13 30.3 0.3 A 87 LYS CD C 13 26.8 0.3 A 87 LYS CE C 13 39.5 0.3 A 87 LYS CG C 13 22.3 0.3 A 87 LYS N N 15 130.3 0.3 A 88 GLY H H 1 8.82 0.02 A 88 GLY HAy H 1 4.44 0.02 A 88 GLY HAx H 1 3.56 0.02 A 88 GLY C C 13 172.8 0.3 A 88 GLY CA C 13 42.8 0.3 A 88 GLY N N 15 110.4 0.3 A 89 SER H H 1 8.57 0.02 A 89 SER HA H 1 4.04 0.02 A 89 SER HBx H 1 3.83 0.02 A 89 SER HBy H 1 3.95 0.02 A 89 SER C C 13 171.3 0.3 A 89 SER CA C 13 58.2 0.3 A 89 SER CB C 13 59.2 0.3 A 89 SER N N 15 118.0 0.3 A 90 ASP H H 1 10.48 0.02 A 90 ASP HA H 1 4.58 0.02 A 90 ASP HBx H 1 2.49 0.02 A 90 ASP HBy H 1 2.87 0.02 A 90 ASP C C 13 173.5 0.3 A 90 ASP CA C 13 50.5 0.3 A 90 ASP CB C 13 34.9 0.3 A 90 ASP N N 15 116.4 0.3 A 91 CYS H H 1 7.42 0.02 A 91 CYS HA H 1 5.18 0.02 A 91 CYS HBx H 1 2.42 0.02 A 91 CYS HBy H 1 2.86 0.02 A 91 CYS C C 13 172.8 0.3 A 91 CYS CA C 13 50.6 0.3 A 91 CYS CB C 13 38.0 0.3 A 91 CYS N N 15 117.3 0.3 A 92 VAL H H 1 7.32 0.02 A 92 VAL HA H 1 3.47 0.02 A 92 VAL HB H 1 1.99 0.02 A 92 VAL HG1% H 1 1.00 0.02 A 92 VAL HG2% H 1 0.90 0.02 A 92 VAL C C 13 175.7 0.3 A 92 VAL CA C 13 64.0 0.3 A 92 VAL CB C 13 29.3 0.3 A 92 VAL CG1 C 13 19.4 0.3 A 92 VAL CG2 C 13 18.2 0.3 A 92 VAL N N 15 120.5 0.3 A 93 ASP H H 1 8.87 0.02 A 93 ASP HA H 1 4.28 0.02 A 93 ASP HB2 H 1 2.46 0.02 A 93 ASP C C 13 176.5 0.3 A 93 ASP CA C 13 55.1 0.3 A 93 ASP CB C 13 36.8 0.3 A 93 ASP N N 15 120.5 0.3 A 94 GLN H H 1 9.14 0.02 A 94 GLN HA H 1 3.92 0.02 A 94 GLN HBy H 1 2.02 0.02 A 94 GLN HBx H 1 1.58 0.02 A 94 GLN HE21 H 1 7.39 0.02 A 94 GLN HE22 H 1 6.99 0.02 A 94 GLN HGy H 1 2.43 0.02 A 94 GLN HGx H 1 2.35 0.02 A 94 GLN C C 13 178.1 0.3 A 94 GLN CA C 13 57.1 0.3 A 94 GLN CB C 13 24.5 0.3 A 94 GLN CG C 13 31.8 0.3 A 94 GLN N N 15 121.8 0.3 A 94 GLN NE2 N 15 110.9 0.3 A 95 PHE H H 1 8.92 0.02 A 95 PHE HA H 1 4.13 0.02 A 95 PHE HBx H 1 3.09 0.02 A 95 PHE HBy H 1 3.17 0.02 A 95 PHE HD1 H 1 7.09 0.02 A 95 PHE HE1 H 1 7.18 0.02 A 95 PHE C C 13 175.1 0.3 A 95 PHE CA C 13 57.5 0.3 A 95 PHE CB C 13 34.5 0.3 A 95 PHE N N 15 122.5 0.3 A 96 ARG H H 1 8.50 0.02 A 96 ARG HA H 1 4.04 0.02 A 96 ARG HB2 H 1 1.91 0.02 A 96 ARG HDx H 1 3.11 0.02 A 96 ARG HDy H 1 3.14 0.02 A 96 ARG HGx H 1 1.51 0.02 A 96 ARG HGy H 1 1.69 0.02 A 96 ARG C C 13 175.7 0.3 A 96 ARG CA C 13 56.8 0.3 A 96 ARG CB C 13 26.8 0.3 A 96 ARG CD C 13 40.5 0.3 A 96 ARG CG C 13 24.5 0.3 A 96 ARG N N 15 121.6 0.3 A 97 ALA H H 1 7.96 0.02 A 97 ALA HA H 1 4.11 0.02 A 97 ALA HB% H 1 1.41 0.02 A 97 ALA C C 13 178.6 0.3 A 97 ALA CA C 13 52.1 0.3 A 97 ALA CB C 13 15.2 0.3 A 97 ALA N N 15 120.3 0.3 A 98 MET H H 1 7.60 0.02 A 98 MET HA H 1 3.83 0.02 A 98 MET HB2 H 1 1.64 0.02 A 98 MET HG2 H 1 2.31 0.02 A 98 MET C C 13 173.9 0.3 A 98 MET CA C 13 56.4 0.3 A 98 MET CB C 13 30.1 0.3 A 98 MET CG C 13 29.9 0.3 A 98 MET N N 15 118.4 0.3 A 99 GLN H H 1 8.41 0.02 A 99 GLN HA H 1 3.80 0.02 A 99 GLN HBx H 1 2.01 0.02 A 99 GLN HBy H 1 2.07 0.02 A 99 GLN HG2 H 1 2.19 0.02 A 99 GLN C C 13 173.4 0.3 A 99 GLN CA C 13 56.8 0.3 A 99 GLN CB C 13 25.9 0.3 A 99 GLN CG C 13 31.1 0.3 A 99 GLN N N 15 120.8 0.3 A 100 GLU H H 1 8.51 0.02 A 100 GLU HA H 1 3.82 0.02 A 100 GLU HBx H 1 1.86 0.02 A 100 GLU HBy H 1 1.95 0.02 A 100 GLU HGy H 1 2.36 0.02 A 100 GLU HGx H 1 2.09 0.02 A 100 GLU C C 13 175.9 0.3 A 100 GLU CA C 13 56.5 0.3 A 100 GLU CB C 13 26.9 0.3 A 100 GLU CG C 13 34.0 0.3 A 100 GLU N N 15 117.6 0.3 A 101 CYS H H 1 7.31 0.02 A 101 CYS HA H 1 4.23 0.02 A 101 CYS HBx H 1 3.02 0.02 A 101 CYS HBy H 1 3.10 0.02 A 101 CYS C C 13 173.8 0.3 A 101 CYS CA C 13 57.8 0.3 A 101 CYS CB C 13 36.5 0.3 A 101 CYS N N 15 117.8 0.3 A 102 MET H H 1 8.40 0.02 A 102 MET HA H 1 3.82 0.02 A 102 MET HBx H 1 1.80 0.02 A 102 MET HBy H 1 1.84 0.02 A 102 MET HGy H 1 2.39 0.02 A 102 MET HGx H 1 1.08 0.02 A 102 MET C C 13 177.1 0.3 A 102 MET CA C 13 57.1 0.3 A 102 MET CB C 13 30.2 0.3 A 102 MET CG C 13 29.6 0.3 A 102 MET N N 15 119.1 0.3 A 103 GLN H H 1 7.85 0.02 A 103 GLN HA H 1 3.96 0.02 A 103 GLN HBx H 1 2.01 0.02 A 103 GLN HBy H 1 2.06 0.02 A 103 GLN HE21 H 1 7.39 0.02 A 103 GLN HE22 H 1 6.74 0.02 A 103 GLN HGy H 1 2.49 0.02 A 103 GLN HGx H 1 2.39 0.02 A 103 GLN C C 13 174.0 0.3 A 103 GLN CA C 13 55.0 0.3 A 103 GLN CB C 13 25.9 0.3 A 103 GLN CG C 13 31.6 0.3 A 103 GLN N N 15 117.2 0.3 A 103 GLN NE2 N 15 110.8 0.3 A 104 LYS H H 1 7.47 0.02 A 104 LYS HA H 1 3.88 0.02 A 104 LYS HBy H 1 1.73 0.02 A 104 LYS HBx H 1 1.33 0.02 A 104 LYS HD2 H 1 1.50 0.02 A 104 LYS HE2 H 1 2.85 0.02 A 104 LYS HGx H 1 1.13 0.02 A 104 LYS HGy H 1 1.49 0.02 A 104 LYS C C 13 173.2 0.3 A 104 LYS CA C 13 54.6 0.3 A 104 LYS CB C 13 29.6 0.3 A 104 LYS CD C 13 26.3 0.3 A 104 LYS CE C 13 39.3 0.3 A 104 LYS CG C 13 22.6 0.3 A 104 LYS N N 15 116.7 0.3 A 105 TYR H H 1 7.39 0.02 A 105 TYR HA H 1 5.04 0.02 A 105 TYR HBx H 1 3.00 0.02 A 105 TYR HBy H 1 3.03 0.02 A 105 TYR HD1 H 1 7.29 0.02 A 105 TYR HE1 H 1 6.78 0.02 A 105 TYR C C 13 170.8 0.3 A 105 TYR CA C 13 52.3 0.3 A 105 TYR CB C 13 36.7 0.3 A 105 TYR N N 15 115.7 0.3 A 106 PRO HA H 1 4.47 0.02 A 106 PRO HBy H 1 2.19 0.02 A 106 PRO HBx H 1 1.93 0.02 A 106 PRO HDy H 1 3.57 0.02 A 106 PRO HDx H 1 3.28 0.02 A 106 PRO HGy H 1 1.92 0.02 A 106 PRO HGx H 1 1.85 0.02 A 106 PRO CA C 13 61.8 0.3 A 106 PRO CB C 13 29.0 0.3 A 106 PRO CD C 13 47.6 0.3 A 106 PRO CG C 13 24.7 0.3 A 107 ASP H H 1 8.75 0.02 A 107 ASP HA H 1 4.31 0.02 A 107 ASP HBx H 1 2.44 0.02 A 107 ASP HBy H 1 2.56 0.02 A 107 ASP C C 13 174.0 0.3 A 107 ASP CA C 13 52.2 0.3 A 107 ASP CB C 13 36.8 0.3 A 107 ASP N N 15 114.8 0.3 A 108 LEU H H 1 7.27 0.02 A 108 LEU HA H 1 4.03 0.02 A 108 LEU HBy H 1 1.15 0.02 A 108 LEU HBx H 1 0.61 0.02 A 108 LEU HD1% H 1 0.49 0.02 A 108 LEU HD2% H 1 0.54 0.02 A 108 LEU HG H 1 1.23 0.02 A 108 LEU C C 13 173.8 0.3 A 108 LEU CA C 13 52.5 0.3 A 108 LEU CB C 13 40.0 0.3 A 108 LEU CD1 C 13 20.1 0.3 A 108 LEU CD2 C 13 22.6 0.3 A 108 LEU CG C 13 23.9 0.3 A 108 LEU N N 15 118.9 0.3 A 109 TYR H H 1 7.53 0.02 A 109 TYR HA H 1 5.00 0.02 A 109 TYR HBy H 1 2.98 0.02 A 109 TYR HBx H 1 2.72 0.02 A 109 TYR HD1 H 1 7.29 0.02 A 109 TYR HE1 H 1 6.54 0.02 A 109 TYR C C 13 169.7 0.3 A 109 TYR CA C 13 51.1 0.3 A 109 TYR CB C 13 35.8 0.3 A 109 TYR N N 15 117.0 0.3 A 110 PRO HA H 1 4.43 0.02 A 110 PRO HBy H 1 2.19 0.02 A 110 PRO HBx H 1 1.82 0.02 A 110 PRO HDy H 1 3.51 0.02 A 110 PRO HDx H 1 3.35 0.02 A 110 PRO HG2 H 1 1.91 0.02 A 110 PRO CA C 13 60.4 0.3 A 110 PRO CB C 13 29.5 0.3 A 110 PRO CD C 13 47.6 0.3 A 110 PRO CG C 13 24.8 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 72 PHE HE% A 76 PHE HD% 1.0 . 3.96 2 2 A 67 PRO HA A 105 TYR HD% 1.0 . 5.64 3 3 A 55 TRP HH2 A 77 SER HA 1.0 . 6.00 4 4 A 71 GLN HA A 71 GLN HE22 1.0 . 6.00 5 5 A 105 TYR HD% A 104 LYS HA 1.0 . 4.42 6 6 A 102 MET HA A 109 TYR HE% 1.0 . 4.41 7 7 A 72 PHE HD% A 73 LYS HA 1.0 . 5.07 8 8 A 68 CYS HA A 101 CYS HBy 1.0 . 5.39 9 9 A 109 TYR HE% A 105 TYR HBx 1.0 . 3.46 10 10 A 94 GLN HE22 A 93 ASP HB2 1.0 . 5.24 11 10 A 93 ASP HBy A 94 GLN HE22 1.0 . 5.24 12 11 A 109 TYR HE% A 107 ASP HBx 1.0 . 5.79 13 12 A 55 TRP HD1 A 73 LYS HE2 1.0 . 5.26 14 12 A 55 TRP HD1 A 73 LYS HEy 1.0 . 5.26 15 13 A 55 TRP HZ2 A 73 LYS HBy 1.0 . 4.79 16 14 A 71 GLN HE21 A 97 ALA HB% 1.0 . 5.15 17 15 A 55 TRP HE3 A 60 LEU HBx 1.0 . 5.04 18 16 A 55 TRP HE3 A 64 ALA HB% 1.0 . 4.26 19 17 A 105 TYR HA A 108 LEU HBy 1.0 . 5.15 20 18 A 55 TRP HD1 A 73 LYS HDx 1.0 . 5.82 21 19 A 73 LYS HDx A 55 TRP HZ3 1.0 . 4.78 22 20 A 76 PHE HE% A 46 LEU HD1% 1.0 . 4.60 23 20 A 46 LEU HD2% A 76 PHE HE% 1.0 . 4.60 24 21 A 55 TRP HZ3 A 60 LEU HG 1.0 . 4.62 25 22 A 72 PHE HE% A 60 LEU HG 1.0 . 4.13 26 23 A 105 TYR HE% A 108 LEU HD2% 1.0 . 4.15 27 24 A 47 ILE HD1% A 81 TYR HE% 1.0 . 5.14 28 25 A 79 PHE HD% A 87 LYS HA 1.0 . 4.73 29 26 A 109 TYR HE% A 67 PRO HGx 1.0 . 3.69 30 27 A 60 LEU HBx A 55 TRP HZ3 1.0 . 6.00 31 28 A 55 TRP HZ3 A 73 LYS HGy 1.0 . 5.81 32 29 A 76 PHE HD% A 47 ILE HG2% 1.0 . 6.00 33 30 A 72 PHE HD% A 55 TRP HZ3 1.0 . 5.39 34 31 A 55 TRP HD1 A 54 ASN HA 1.0 . 5.05 35 32 A 50 ASN HD21 A 52 ASN HBx 1.0 . 5.26 36 33 A 50 ASN HD21 A 52 ASN HBy 1.0 . 5.45 37 34 A 81 TYR HD% A 77 SER HB2 1.0 . 4.58 38 35 A 77 SER HA A 81 TYR HD% 1.0 . 4.05 39 36 A 50 ASN HD22 A 52 ASN HBy 1.0 . 5.48 40 37 A 81 TYR HD% A 53 ILE HD1% 1.0 . 5.06 41 38 A 53 ILE HD1% A 52 ASN HD21 1.0 . 5.98 42 39 A 54 ASN HD21 A 57 CYS HBx 1.0 . 5.69 43 40 A 94 GLN HE22 A 94 GLN HBx 1.0 . 5.56 44 41 A 64 ALA HB% A 55 TRP HE1 1.0 . 6.00 45 42 A 55 TRP HE1 A 73 LYS HBx 1.0 . 6.00 46 43 A 73 LYS HGy A 55 TRP HE1 1.0 . 6.00 47 44 A 73 LYS HDx A 55 TRP HE1 1.0 . 6.00 48 45 A 81 TYR HD% A 80 HIS HA 1.0 . 5.41 49 46 A 55 TRP HD1 A 64 ALA HB% 1.0 . 4.56 50 47 A 55 TRP HZ2 A 77 SER HBy 1.0 . 5.92 51 48 A 79 PHE HD% A 95 PHE HE% 1.0 . 4.46 52 49 A 76 PHE HE% A 46 LEU HG 1.0 . 4.33 53 50 A 76 PHE HE% A 47 ILE HD1% 1.0 . 6.00 54 51 A 76 PHE HE% A 60 LEU HD2% 1.0 . 5.74 55 52 A 81 TYR HE% A 77 SER HB2 1.0 . 4.85 56 53 A 81 TYR HE% A 53 ILE HG1y 1.0 . 5.19 57 54 A 81 TYR HE% A 53 ILE HD1% 1.0 . 3.45 58 55 A 81 TYR HE% A 53 ILE HB 1.0 . 5.06 59 56 A 105 TYR HE% A 104 LYS HE2 1.0 . 3.80 60 56 A 105 TYR HE% A 104 LYS HEy 1.0 . 3.80 61 57 A 71 GLN HA A 71 GLN HE21 1.0 . 5.29 62 58 A 71 GLN HE22 A 101 CYS HBx 1.0 . 6.00 63 59 A 71 GLN HE21 A 101 CYS HBx 1.0 . 5.56 64 60 A 71 GLN HE21 A 70 GLU HGy 1.0 . 6.00 65 61 A 105 TYR HA A 109 TYR HD% 1.0 . 5.81 66 62 A 55 TRP HZ3 A 60 LEU HBy 1.0 . 6.00 67 63 A 105 TYR HE% A 67 PRO HGx 1.0 . 6.00 68 64 A 105 TYR HE% A 67 PRO HGy 1.0 . 5.02 69 65 A 105 TYR HE% A 67 PRO HBx 1.0 . 3.80 70 66 A 105 TYR HE% A 104 LYS HBx 1.0 . 4.53 71 67 A 72 PHE HD% A 60 LEU HD2% 1.0 . 6.00 72 68 A 72 PHE HE% A 60 LEU HD2% 1.0 . 4.68 73 69 A 71 GLN HE22 A 70 GLU HBx 1.0 . 5.78 74 70 A 109 TYR HD% A 110 PRO HDy 1.0 . 5.46 75 71 A 109 TYR HE% A 102 MET HGy 1.0 . 5.09 76 72 A 109 TYR HD% A 105 TYR HBx 1.0 . 3.59 77 73 A 109 TYR HE% A 106 PRO HGx 1.0 . 6.00 78 73 A 109 TYR HE% A 106 PRO HGy 1.0 . 6.00 79 74 A 109 TYR HE% A 67 PRO HGy 1.0 . 4.56 80 75 A 109 TYR HE% A 105 TYR HBy 1.0 . 3.81 81 76 A 109 TYR HD% A 105 TYR HBy 1.0 . 4.60 82 77 A 104 LYS HA A 105 TYR HE% 1.0 . 5.78 83 78 A 105 TYR HE% A 104 LYS HGx 1.0 . 5.78 84 79 A 105 TYR HD% A 104 LYS HBx 1.0 . 4.05 85 80 A 105 TYR HE% A 104 LYS HD2 1.0 . 5.33 86 80 A 105 TYR HE% A 104 LYS HDy 1.0 . 5.33 87 81 A 105 TYR HE% A 104 LYS HBy 1.0 . 3.58 88 82 A 105 TYR HE% A 106 PRO HDy 1.0 . 5.91 89 83 A 105 TYR HE% A 67 PRO HBy 1.0 . 4.04 90 84 A 105 TYR HE% A 104 LYS HGy 1.0 . 5.81 91 85 A 81 TYR HE% A 53 ILE HG2% 1.0 . 5.78 92 86 A 81 TYR HD% A 80 HIS HBy 1.0 . 6.00 93 87 A 81 TYR HD% A 80 HIS HBx 1.0 . 5.73 94 88 A 81 TYR HE% A 47 ILE HG2% 1.0 . 5.66 95 89 A 81 TYR HE% A 53 ILE HG1x 1.0 . 5.37 96 90 A 75 ALA HA A 95 PHE HD% 1.0 . 5.14 97 91 A 95 PHE HD% A 78 CYS HBx 1.0 . 5.07 98 92 A 72 PHE HE% A 64 ALA HB% 1.0 . 4.53 99 93 A 72 PHE HE% A 60 LEU HBy 1.0 . 4.73 100 94 A 72 PHE HD% A 64 ALA HA 1.0 . 5.23 101 95 A 72 PHE HE% A 64 ALA HA 1.0 . 5.11 102 96 A 72 PHE HD% A 60 LEU HA 1.0 . 5.18 103 97 A 72 PHE HD% A 76 PHE HA 1.0 . 6.00 104 98 A 72 PHE HD% A 73 LYS HE2 1.0 . 6.00 105 98 A 72 PHE HD% A 73 LYS HEy 1.0 . 6.00 106 99 A 72 PHE HD% A 76 PHE HBx 1.0 . 6.00 107 100 A 72 PHE HD% A 73 LYS HDx 1.0 . 5.60 108 101 A 72 PHE HD% A 53 ILE HD1% 1.0 . 6.00 109 102 A 108 LEU HD1% A 109 TYR HA 1.0 . 4.12 110 103 A 105 TYR HD% A 104 LYS HBy 1.0 . 4.18 111 104 A 105 TYR HD% A 67 PRO HBy 1.0 . 5.01 112 105 A 71 GLN HE21 A 70 GLU HGx 1.0 . 6.00 113 106 A 55 TRP HE3 A 60 LEU HBy 1.0 . 6.00 114 107 A 77 SER HA A 55 TRP HZ2 1.0 . 4.92 115 108 A 55 TRP HZ2 A 77 SER HB2 1.0 . 4.59 116 109 A 55 TRP HH2 A 76 PHE HBy 1.0 . 5.59 117 110 A 55 TRP HZ3 A 60 LEU HA 1.0 . 6.00 118 111 A 55 TRP HZ3 A 76 PHE HBx 1.0 . 6.00 119 112 A 55 TRP HE3 A 53 ILE HG2% 1.0 . 4.77 120 113 A 68 CYS HA A 101 CYS HBx 1.0 . 5.39 121 114 A 68 CYS HA A 71 GLN HGx 1.0 . 5.87 122 114 A 68 CYS HA A 71 GLN HGy 1.0 . 5.87 123 115 A 68 CYS HA A 102 MET HGy 1.0 . 6.00 124 116 A 68 CYS HA A 71 GLN HBy 1.0 . 4.82 125 117 A 67 PRO HA A 105 TYR HE% 1.0 . 4.52 126 118 A 109 TYR HE% A 66 GLY HAx 1.0 . 5.37 127 119 A 95 PHE HE% A 87 LYS HGx 1.0 . 6.00 128 120 A 47 ILE HA A 54 ASN H 1.0 . 4.85 129 121 A 104 LYS HBy A 103 GLN HE22 1.0 . 6.00 130 122 A 104 LYS HBx A 103 GLN HE22 1.0 . 6.00 131 123 A 108 LEU HD1% A 107 ASP HA 1.0 . 5.70 132 124 A 107 ASP HA A 108 LEU HA 1.0 . 5.23 133 125 A 70 GLU HA A 73 LYS HDy 1.0 . 6.00 134 126 A 55 TRP HBy A 73 LYS HE2 1.0 . 6.00 135 126 A 73 LYS HEy A 55 TRP HBy 1.0 . 6.00 136 127 A 48 LEU HBy A 50 ASN HA 1.0 . 5.86 137 128 A 60 LEU HG A 57 CYS HBx 1.0 . 5.00 138 129 A 106 PRO HGy A 107 ASP H 1.0 . 4.33 139 130 A 96 ARG HGx A 97 ALA HA 1.0 . 4.69 140 131 A 60 LEU HG A 53 ILE HG1y 1.0 . 5.75 141 132 A 60 LEU HG A 53 ILE HG2% 1.0 . 4.13 142 133 A 60 LEU HG A 55 TRP HA 1.0 . 4.20 143 134 A 54 ASN HA A 48 LEU HG 1.0 . 3.80 144 135 A 48 LEU HG A 54 ASN HBx 1.0 . 4.81 145 136 A 108 LEU HD2% A 67 PRO HDy 1.0 . 5.03 146 137 A 108 LEU HD2% A 67 PRO HDx 1.0 . 4.49 147 138 A 108 LEU HD2% A 109 TYR HA 1.0 . 5.36 148 139 A 47 ILE H A 46 LEU HD1% 1.0 . 5.65 149 140 A 108 LEU HD1% A 108 LEU HA 1.0 . 4.75 150 141 A 83 THR HA A 83 THR HG2% 1.0 . 3.77 151 142 A 66 GLY HAx A 67 PRO HDx 1.0 . 4.05 152 143 A 109 TYR HE% A 108 LEU HBy 1.0 . 6.00 153 144 A 107 ASP HBx A 106 PRO HGy 1.0 . 6.00 154 145 A 74 SER HBx A 94 GLN HGx 1.0 . 5.00 155 146 A 53 ILE HB A 52 ASN HA 1.0 . 5.12 156 147 A 55 TRP HH2 A 53 ILE HD1% 1.0 . 4.18 157 148 A 104 LYS HGy A 101 CYS HA 1.0 . 5.13 158 149 A 108 LEU HD1% A 66 GLY HAx 1.0 . 6.00 159 150 A 67 PRO HBy A 108 LEU HD1% 1.0 . 5.98 160 151 A 67 PRO HBx A 108 LEU HD1% 1.0 . 5.59 161 152 A 64 ALA HA A 69 GLY HAy 1.0 . 4.82 162 153 A 64 ALA HA A 69 GLY HAx 1.0 . 4.85 163 154 A 79 PHE HD% A 80 HIS HA 1.0 . 6.00 164 155 A 83 THR H A 84 GLU HA 1.0 . 6.00 165 156 A 79 PHE HD% A 88 GLY HAy 1.0 . 4.81 166 157 A 79 PHE HD% A 88 GLY HAx 1.0 . 5.38 167 158 A 90 ASP HA A 84 GLU HG2 1.0 . 5.65 168 158 A 84 GLU HGy A 90 ASP HA 1.0 . 5.65 169 159 A 90 ASP HA A 89 SER HBy 1.0 . 5.93 170 160 A 94 GLN HE22 A 94 GLN HBy 1.0 . 5.04 171 161 A 95 PHE H A 96 ARG HB2 1.0 . 6.00 172 161 A 95 PHE H A 96 ARG HBy 1.0 . 6.00 173 162 A 92 VAL HG2% A 96 ARG HGy 1.0 . 6.00 174 163 A 97 ALA HA A 100 GLU HGy 1.0 . 5.67 175 164 A 97 ALA HA A 101 CYS H 1.0 . 6.00 176 165 A 101 CYS HBy A 97 ALA HB% 1.0 . 4.72 177 166 A 97 ALA HB% A 96 ARG HB2 1.0 . 4.23 178 166 A 97 ALA HB% A 96 ARG HBy 1.0 . 4.23 179 167 A 97 ALA HB% A 95 PHE H 1.0 . 4.74 180 168 A 101 CYS HBy A 100 GLU HGy 1.0 . 5.89 181 169 A 100 GLU H A 100 GLU HGx 1.0 . 4.68 182 170 A 101 CYS HA A 100 GLU HA 1.0 . 5.36 183 171 A 103 GLN HBx A 104 LYS H 1.0 . 5.37 184 172 A 103 GLN HBy A 103 GLN HE21 1.0 . 5.55 185 173 A 104 LYS HA A 104 LYS HD2 1.0 . 5.02 186 173 A 104 LYS HA A 104 LYS HDy 1.0 . 5.02 187 174 A 105 TYR HA A 106 PRO HGy 1.0 . 4.42 188 175 A 108 LEU HBy A 105 TYR HBx 1.0 . 5.47 189 176 A 105 TYR H A 106 PRO HA 1.0 . 5.24 190 177 A 105 TYR HD% A 106 PRO HDx 1.0 . 5.19 191 178 A 110 PRO HDy A 109 TYR H 1.0 . 5.19 192 179 A 108 LEU HD2% A 109 TYR H 1.0 . 5.14 193 180 A 109 TYR H A 108 LEU HG 1.0 . 5.49 194 181 A 108 LEU HG A 108 LEU H 1.0 . 4.65 195 182 A 105 TYR HD% A 106 PRO HDy 1.0 . 5.23 196 183 A 107 ASP HBx A 109 TYR H 1.0 . 6.00 197 184 A 107 ASP HBx A 108 LEU HA 1.0 . 6.00 198 185 A 105 TYR H A 106 PRO HDx 1.0 . 4.79 199 186 A 105 TYR HD% A 106 PRO HGy 1.0 . 6.00 200 187 A 105 TYR HD% A 106 PRO HGx 1.0 . 5.94 201 188 A 105 TYR HA A 108 LEU HG 1.0 . 5.34 202 189 A 105 TYR HD% A 104 LYS HGy 1.0 . 6.00 203 190 A 104 LYS HA A 103 GLN HBx 1.0 . 6.00 204 191 A 104 LYS HA A 103 GLN HBy 1.0 . 6.00 205 192 A 100 GLU HA A 103 GLN HBy 1.0 . 5.89 206 193 A 100 GLU HA A 103 GLN HBx 1.0 . 4.69 207 194 A 104 LYS H A 103 GLN HBy 1.0 . 5.21 208 195 A 103 GLN HBx A 102 MET H 1.0 . 5.60 209 196 A 100 GLU HA A 103 GLN HGy 1.0 . 5.19 210 197 A 102 MET H A 102 MET HGx 1.0 . 5.47 211 198 A 101 CYS HA A 104 LYS H 1.0 . 4.73 212 199 A 104 LYS HGx A 101 CYS HA 1.0 . 5.18 213 200 A 102 MET HA A 101 CYS HBx 1.0 . 5.59 214 201 A 102 MET HA A 101 CYS HBy 1.0 . 5.77 215 202 A 55 TRP HE3 A 73 LYS HDy 1.0 . 6.00 216 203 A 77 SER HA A 81 TYR HE% 1.0 . 5.34 217 204 A 97 ALA HB% A 96 ARG H 1.0 . 6.00 218 205 A 101 CYS HA A 102 MET HBx 1.0 . 6.00 219 206 A 94 GLN HBx A 78 CYS HBx 1.0 . 6.00 220 207 A 107 ASP HBx A 108 LEU HBy 1.0 . 5.94 221 208 A 108 LEU HBy A 107 ASP HBy 1.0 . 5.89 222 209 A 96 ARG H A 92 VAL HG1% 1.0 . 5.47 223 210 A 92 VAL HG1% A 94 GLN H 1.0 . 5.64 224 211 A 92 VAL HG2% A 96 ARG H 1.0 . 6.00 225 212 A 92 VAL HG2% A 94 GLN H 1.0 . 6.00 226 213 A 95 PHE HD% A 92 VAL HG2% 1.0 . 6.00 227 214 A 95 PHE HD% A 92 VAL HG1% 1.0 . 5.06 228 215 A 92 VAL HG1% A 91 CYS HA 1.0 . 6.00 229 216 A 92 VAL HG2% A 96 ARG HA 1.0 . 6.00 230 217 A 91 CYS HA A 92 VAL HA 1.0 . 6.00 231 218 A 96 ARG H A 92 VAL HA 1.0 . 6.00 232 219 A 94 GLN H A 91 CYS HA 1.0 . 4.77 233 220 A 91 CYS HA A 93 ASP H 1.0 . 5.01 234 221 A 91 CYS HA A 94 GLN HE21 1.0 . 4.42 235 222 A 90 ASP HBx A 84 GLU HG2 1.0 . 5.36 236 222 A 84 GLU HGy A 90 ASP HBx 1.0 . 5.36 237 223 A 90 ASP HBy A 84 GLU HG2 1.0 . 5.29 238 223 A 84 GLU HGy A 90 ASP HBy 1.0 . 5.29 239 224 A 90 ASP HBy A 84 GLU HBx 1.0 . 5.28 240 225 A 89 SER HBy A 86 ILE HG2% 1.0 . 4.47 241 226 A 92 VAL HG1% A 89 SER HA 1.0 . 5.58 242 227 A 92 VAL HG2% A 89 SER HA 1.0 . 5.73 243 228 A 86 ILE HG2% A 89 SER HA 1.0 . 6.00 244 229 A 89 SER HA A 88 GLY H 1.0 . 6.00 245 230 A 95 PHE HE% A 88 GLY HAx 1.0 . 6.00 246 231 A 87 LYS HA A 79 PHE HE% 1.0 . 5.71 247 232 A 86 ILE HA A 87 LYS HBx 1.0 . 5.50 248 233 A 95 PHE HD% A 87 LYS HGy 1.0 . 6.00 249 234 A 79 PHE HE% A 87 LYS HDx 1.0 . 5.43 250 235 A 79 PHE HE% A 87 LYS HDy 1.0 . 5.59 251 236 A 87 LYS HDx A 79 PHE HZ 1.0 . 5.49 252 237 A 79 PHE HZ A 87 LYS HEy 1.0 . 5.39 253 238 A 79 PHE HD% A 87 LYS HEy 1.0 . 5.99 254 239 A 79 PHE HD% A 87 LYS HEx 1.0 . 5.61 255 240 A 79 PHE HZ A 87 LYS HEx 1.0 . 5.62 256 241 A 84 GLU HA A 86 ILE H 1.0 . 5.56 257 242 A 80 HIS H A 82 SER HBx 1.0 . 5.77 258 243 A 79 PHE H A 82 SER HBx 1.0 . 5.84 259 244 A 80 HIS H A 82 SER HBy 1.0 . 5.80 260 245 A 81 TYR HBy A 82 SER H 1.0 . 5.32 261 246 A 82 SER H A 81 TYR HBx 1.0 . 5.83 262 247 A 80 HIS HBy A 81 TYR H 1.0 . 6.00 263 248 A 80 HIS HBx A 81 TYR H 1.0 . 6.00 264 249 A 53 ILE HD1% A 80 HIS HBx 1.0 . 4.94 265 250 A 53 ILE HD1% A 80 HIS HA 1.0 . 5.83 266 251 A 79 PHE HBx A 82 SER HBy 1.0 . 6.00 267 252 A 87 LYS HDx A 79 PHE HBy 1.0 . 5.29 268 253 A 87 LYS HDx A 79 PHE HBx 1.0 . 6.00 269 254 A 82 SER H A 79 PHE HA 1.0 . 5.06 270 255 A 75 ALA HA A 78 CYS HBy 1.0 . 4.92 271 256 A 94 GLN HGx A 78 CYS HBy 1.0 . 6.00 272 257 A 101 CYS HBx A 71 GLN HGx 1.0 . 5.36 273 258 A 94 GLN HGx A 78 CYS HBx 1.0 . 5.06 274 259 A 94 GLN HBx A 78 CYS HBy 1.0 . 5.87 275 260 A 75 ALA HA A 78 CYS HBx 1.0 . 5.38 276 261 A 79 PHE H A 78 CYS HBx 1.0 . 5.15 277 262 A 79 PHE H A 78 CYS HBy 1.0 . 5.81 278 263 A 80 HIS H A 78 CYS HBy 1.0 . 6.00 279 264 A 80 HIS H A 78 CYS HBx 1.0 . 5.74 280 265 A 81 TYR HBx A 78 CYS HA 1.0 . 6.00 281 266 A 77 SER HA A 53 ILE HG2% 1.0 . 6.00 282 267 A 77 SER HA A 79 PHE H 1.0 . 5.25 283 268 A 81 TYR HD% A 77 SER HB2 1.0 . 6.00 284 268 A 81 TYR HD% A 77 SER HBy 1.0 . 6.00 285 269 A 78 CYS H A 77 SER HB2 1.0 . 5.63 286 269 A 77 SER HBy A 78 CYS H 1.0 . 5.63 287 270 A 76 PHE HD% A 77 SER HB2 1.0 . 6.00 288 270 A 76 PHE HD% A 77 SER HBy 1.0 . 6.00 289 271 A 76 PHE HA A 79 PHE HBx 1.0 . 5.22 290 272 A 76 PHE HA A 79 PHE H 1.0 . 5.33 291 273 A 75 ALA HA A 94 GLN H 1.0 . 6.00 292 274 A 75 ALA HA A 91 CYS HBx 1.0 . 5.90 293 275 A 94 GLN HBx A 75 ALA HA 1.0 . 4.39 294 276 A 75 ALA HA A 94 GLN HBy 1.0 . 3.76 295 277 A 95 PHE HE% A 75 ALA HA 1.0 . 5.17 296 278 A 74 SER HBx A 73 LYS H 1.0 . 5.88 297 279 A 73 LYS H A 74 SER HBy 1.0 . 5.49 298 280 A 73 LYS HBy A 74 SER HBx 1.0 . 5.45 299 281 A 73 LYS HBx A 74 SER HBy 1.0 . 5.42 300 282 A 73 LYS HBy A 74 SER HBy 1.0 . 5.82 301 283 A 94 GLN HBx A 74 SER HBy 1.0 . 5.33 302 284 A 70 GLU HGy A 74 SER HBy 1.0 . 6.00 303 285 A 94 GLN HBx A 74 SER HBx 1.0 . 5.56 304 286 A 73 LYS HBx A 74 SER HBx 1.0 . 5.97 305 287 A 74 SER HBy A 94 GLN HGy 1.0 . 6.00 306 288 A 74 SER HBx A 94 GLN HGy 1.0 . 5.19 307 289 A 74 SER HA A 77 SER H 1.0 . 4.90 308 290 A 73 LYS HBx A 74 SER HA 1.0 . 5.50 309 291 A 82 SER HA A 84 GLU H 1.0 . 5.17 310 292 A 73 LYS HBy A 70 GLU HA 1.0 . 4.50 311 293 A 73 LYS HBx A 70 GLU HA 1.0 . 5.02 312 294 A 73 LYS HBx A 70 GLU HBy 1.0 . 5.97 313 295 A 55 TRP HBx A 73 LYS HE2 1.0 . 5.63 314 295 A 73 LYS HEy A 55 TRP HBx 1.0 . 5.63 315 296 A 55 TRP HE3 A 73 LYS HE2 1.0 . 5.25 316 296 A 73 LYS HEy A 55 TRP HE3 1.0 . 5.25 317 297 A 55 TRP HZ2 A 73 LYS HE2 1.0 . 5.69 318 297 A 73 LYS HEy A 55 TRP HZ2 1.0 . 5.69 319 298 A 53 ILE HG2% A 73 LYS HE2 1.0 . 5.76 320 298 A 73 LYS HEy A 53 ILE HG2% 1.0 . 5.76 321 299 A 72 PHE HBx A 73 LYS HE2 1.0 . 6.00 322 299 A 73 LYS HEy A 72 PHE HBx 1.0 . 6.00 323 300 A 64 ALA HA A 72 PHE HBx 1.0 . 5.28 324 301 A 64 ALA HA A 72 PHE HBy 1.0 . 4.94 325 302 A 69 GLY HAy A 72 PHE HBx 1.0 . 5.52 326 303 A 72 PHE HD% A 72 PHE HA 1.0 . 3.80 327 304 A 72 PHE HA A 74 SER H 1.0 . 6.00 328 305 A 72 PHE HA A 75 ALA HB% 1.0 . 5.43 329 306 A 97 ALA HB% A 71 GLN HGx 1.0 . 4.62 330 307 A 97 ALA HB% A 71 GLN HGy 1.0 . 4.63 331 308 A 101 CYS HBy A 71 GLN HGy 1.0 . 5.03 332 309 A 101 CYS HBy A 71 GLN HGx 1.0 . 5.05 333 310 A 71 GLN HBx A 98 MET HA 1.0 . 4.54 334 311 A 71 GLN HE21 A 71 GLN HGy 1.0 . 4.08 335 312 A 94 GLN HGy A 78 CYS HBy 1.0 . 5.07 336 313 A 64 ALA HB% A 69 GLY HAy 1.0 . 4.71 337 314 A 70 GLU HGy A 69 GLY HAy 1.0 . 6.00 338 315 A 69 GLY HAx A 72 PHE HBy 1.0 . 5.86 339 316 A 72 PHE HD% A 69 GLY HAy 1.0 . 5.91 340 317 A 68 CYS HBy A 71 GLN HGx 1.0 . 5.34 341 318 A 68 CYS HA A 69 GLY HAy 1.0 . 6.00 342 319 A 68 CYS HA A 71 GLN HGy 1.0 . 5.10 343 320 A 109 TYR HD% A 67 PRO HGx 1.0 . 4.21 344 321 A 109 TYR HBy A 67 PRO HGx 1.0 . 4.94 345 322 A 109 TYR HBy A 67 PRO HGy 1.0 . 5.88 346 323 A 109 TYR HE% A 67 PRO HBx 1.0 . 5.97 347 324 A 109 TYR HD% A 67 PRO HBx 1.0 . 5.07 348 325 A 109 TYR HD% A 67 PRO HBy 1.0 . 6.00 349 326 A 67 PRO HDy A 66 GLY HAy 1.0 . 4.02 350 327 A 66 GLY HAx A 67 PRO HDy 1.0 . 4.00 351 328 A 66 GLY HAx A 67 PRO HGx 1.0 . 6.00 352 329 A 108 LEU HD1% A 66 GLY HAy 1.0 . 6.00 353 330 A 66 GLY HAx A 65 SER HBx 1.0 . 4.29 354 330 A 66 GLY HAx A 65 SER HBy 1.0 . 4.29 355 331 A 66 GLY HAy A 65 SER HBx 1.0 . 4.39 356 331 A 66 GLY HAy A 65 SER HBy 1.0 . 4.39 357 332 A 64 ALA H A 65 SER HBx 1.0 . 5.37 358 332 A 65 SER HBy A 64 ALA H 1.0 . 5.37 359 333 A 64 ALA HB% A 65 SER HBx 1.0 . 5.95 360 333 A 64 ALA HB% A 65 SER HBy 1.0 . 5.95 361 334 A 69 GLY HAy A 65 SER HA 1.0 . 6.00 362 335 A 69 GLY HAx A 65 SER HA 1.0 . 6.00 363 336 A 64 ALA HB% A 73 LYS H 1.0 . 3.93 364 337 A 73 LYS HGy A 64 ALA HA 1.0 . 6.00 365 338 A 64 ALA H A 61 GLY HAx 1.0 . 5.86 366 339 A 61 GLY HAx A 60 LEU H 1.0 . 5.53 367 340 A 61 GLY HAx A 63 MET H 1.0 . 5.66 368 341 A 64 ALA H A 61 GLY HAy 1.0 . 5.32 369 342 A 72 PHE HZ A 60 LEU HD1% 1.0 . 5.42 370 343 A 57 CYS H A 60 LEU HD1% 1.0 . 5.63 371 344 A 72 PHE HD% A 60 LEU HD1% 1.0 . 5.16 372 345 A 72 PHE HE% A 60 LEU HD1% 1.0 . 5.21 373 346 A 55 TRP HZ3 A 60 LEU HD1% 1.0 . 4.66 374 347 A 53 ILE HG1y A 60 LEU HD1% 1.0 . 5.02 375 348 A 64 ALA HB% A 60 LEU HD1% 1.0 . 4.58 376 349 A 64 ALA HB% A 60 LEU HG 1.0 . 5.05 377 350 A 60 LEU HG A 57 CYS H 1.0 . 4.68 378 351 A 72 PHE HD% A 60 LEU HG 1.0 . 5.40 379 352 A 76 PHE HE% A 60 LEU HG 1.0 . 5.29 380 353 A 97 ALA HB% A 101 CYS HBx 1.0 . 4.60 381 354 A 57 CYS HBx A 58 PRO HD2 1.0 . 4.66 382 354 A 57 CYS HBx A 58 PRO HDy 1.0 . 4.66 383 355 A 57 CYS HBx A 60 LEU HD1% 1.0 . 5.79 384 356 A 60 LEU HBx A 57 CYS HBx 1.0 . 5.20 385 357 A 60 LEU HBx A 57 CYS HBy 1.0 . 5.52 386 358 A 54 ASN HD21 A 57 CYS HBy 1.0 . 5.03 387 359 A 57 CYS HBy A 54 ASN HD22 1.0 . 5.37 388 360 A 55 TRP HA A 56 ASN HBx 1.0 . 5.57 389 361 A 64 ALA HB% A 55 TRP HBx 1.0 . 5.75 390 362 A 54 ASN HA A 55 TRP HBx 1.0 . 6.00 391 363 A 54 ASN HA A 54 ASN HD21 1.0 . 6.00 392 364 A 53 ILE HG2% A 54 ASN HBy 1.0 . 6.00 393 365 A 53 ILE HG2% A 54 ASN HBx 1.0 . 6.00 394 366 A 77 SER HA A 53 ILE HD1% 1.0 . 5.04 395 367 A 53 ILE HD1% A 77 SER H 1.0 . 5.54 396 368 A 53 ILE HD1% A 48 LEU H 1.0 . 6.00 397 369 A 53 ILE HG1x A 54 ASN H 1.0 . 6.00 398 370 A 55 TRP HZ2 A 53 ILE HG2% 1.0 . 4.80 399 371 A 55 TRP HH2 A 53 ILE HG2% 1.0 . 5.02 400 372 A 52 ASN HD21 A 53 ILE HG2% 1.0 . 6.00 401 373 A 53 ILE HB A 52 ASN HBx 1.0 . 6.00 402 374 A 55 TRP HH2 A 53 ILE HB 1.0 . 6.00 403 375 A 55 TRP HZ2 A 53 ILE HB 1.0 . 6.00 404 376 A 53 ILE HB A 54 ASN H 1.0 . 5.66 405 377 A 53 ILE HD1% A 55 TRP HE1 1.0 . 6.00 406 378 A 55 TRP HE1 A 53 ILE HB 1.0 . 6.00 407 379 A 47 ILE HA A 53 ILE HA 1.0 . 4.41 408 380 A 53 ILE HA A 46 LEU HA 1.0 . 6.00 409 381 A 48 LEU H A 52 ASN HBy 1.0 . 5.58 410 382 A 48 LEU H A 51 GLY HAx 1.0 . 5.55 411 383 A 48 LEU H A 51 GLY HAy 1.0 . 6.00 412 384 A 52 ASN HA A 51 GLY HAy 1.0 . 6.00 413 385 A 52 ASN HA A 51 GLY HAx 1.0 . 6.00 414 386 A 53 ILE HB A 52 ASN HBy 1.0 . 6.00 415 387 A 53 ILE HG2% A 52 ASN HBy 1.0 . 6.00 416 388 A 50 ASN HD21 A 50 ASN HA 1.0 . 5.89 417 389 A 47 ILE HD1% A 51 GLY HAx 1.0 . 6.00 418 390 A 48 LEU HBx A 49 PRO HD2 1.0 . 4.40 419 390 A 48 LEU HBx A 49 PRO HDy 1.0 . 4.40 420 391 A 50 ASN H A 49 PRO HD2 1.0 . 5.08 421 391 A 49 PRO HDy A 50 ASN H 1.0 . 5.08 422 392 A 48 LEU H A 49 PRO HD2 1.0 . 5.73 423 392 A 48 LEU H A 49 PRO HDy 1.0 . 5.73 424 393 A 50 ASN HA A 49 PRO HBy 1.0 . 5.97 425 394 A 50 ASN HA A 49 PRO HBx 1.0 . 6.00 426 395 A 50 ASN HA A 49 PRO HA 1.0 . 5.08 427 396 A 54 ASN HD21 A 48 LEU HG 1.0 . 5.36 428 397 A 48 LEU HG A 51 GLY H 1.0 . 5.42 429 398 A 50 ASN HD22 A 48 LEU HG 1.0 . 5.81 430 399 A 48 LEU HBx A 49 PRO HGy 1.0 . 5.98 431 399 A 48 LEU HBx A 49 PRO HG2 1.0 . 5.98 432 400 A 48 LEU HBx A 51 GLY H 1.0 . 5.80 433 401 A 48 LEU HA A 49 PRO HGy 1.0 . 5.00 434 401 A 49 PRO HG2 A 48 LEU HA 1.0 . 5.00 435 402 A 47 ILE HD1% A 53 ILE HD1% 1.0 . 4.20 436 403 A 47 ILE HD1% A 53 ILE HG1y 1.0 . 3.74 437 404 A 76 PHE HD% A 47 ILE HD1% 1.0 . 5.68 438 405 A 48 LEU H A 47 ILE HG1y 1.0 . 6.00 439 406 A 47 ILE HG2% A 53 ILE HA 1.0 . 5.98 440 407 A 48 LEU H A 47 ILE HB 1.0 . 5.17 441 408 A 51 GLY HAx A 47 ILE HB 1.0 . 6.00 442 409 A 55 TRP HD1 A 55 TRP HA 1.0 . 4.90 443 410 A 55 TRP HA A 57 CYS H 1.0 . 3.76 444 411 A 55 TRP HZ2 A 53 ILE HD1% 1.0 . 4.30 445 412 A 55 TRP HZ3 A 53 ILE HD1% 1.0 . 4.00 446 413 A 53 ILE HB A 76 PHE HBx 1.0 . 6.00 447 414 A 53 ILE HB A 55 TRP HA 1.0 . 6.00 448 415 A 53 ILE HA A 47 ILE HG1y 1.0 . 6.00 449 416 A 53 ILE HA A 48 LEU HD1% 1.0 . 4.83 450 416 A 53 ILE HA A 48 LEU HD2% 1.0 . 4.83 451 417 A 48 LEU HG A 52 ASN HBy 1.0 . 4.03 452 418 A 50 ASN HA A 51 GLY HAy 1.0 . 5.53 453 419 A 50 ASN HA A 51 GLY HAx 1.0 . 6.00 454 420 A 95 PHE HBy A 99 GLN H 1.0 . 5.21 455 421 A 96 ARG H A 95 PHE HBx 1.0 . 5.41 456 422 A 48 LEU HBx A 49 PRO HA 1.0 . 5.67 457 423 A 47 ILE H A 48 LEU HD1% 1.0 . 6.00 458 423 A 47 ILE H A 48 LEU HD2% 1.0 . 6.00 459 424 A 48 LEU HG A 52 ASN HA 1.0 . 5.57 460 425 A 48 LEU HG A 55 TRP H 1.0 . 5.98 461 426 A 48 LEU HG A 50 ASN H 1.0 . 6.00 462 427 A 48 LEU HG A 52 ASN H 1.0 . 6.00 463 428 A 53 ILE HG2% A 48 LEU HG 1.0 . 5.88 464 429 A 48 LEU HBy A 52 ASN H 1.0 . 5.62 465 430 A 47 ILE HD1% A 79 PHE HD% 1.0 . 6.00 466 431 A 47 ILE HD1% A 52 ASN HA 1.0 . 5.71 467 432 A 47 ILE H A 47 ILE HG1x 1.0 . 4.43 468 433 A 46 LEU HBx A 47 ILE HG1x 1.0 . 4.44 469 434 A 47 ILE HG2% A 53 ILE H 1.0 . 5.92 470 435 A 47 ILE HG2% A 52 ASN H 1.0 . 6.00 471 436 A 47 ILE HG2% A 52 ASN HA 1.0 . 5.41 472 437 A 47 ILE HG2% A 48 LEU HBx 1.0 . 4.43 473 438 A 53 ILE HG1y A 47 ILE HA 1.0 . 5.21 474 439 A 47 ILE HA A 48 LEU H 1.0 . 3.29 475 440 A 47 ILE HD1% A 46 LEU HD1% 1.0 . 4.35 476 441 A 46 LEU HG A 47 ILE HA 1.0 . 5.56 477 442 A 46 LEU HG A 47 ILE HB 1.0 . 5.42 478 443 A 54 ASN HBy A 46 LEU HA 1.0 . 5.02 479 444 A 55 TRP HE3 A 53 ILE HD1% 1.0 . 5.95 480 445 A 102 MET HA A 101 CYS H 1.0 . 5.03 481 446 A 106 PRO HA A 108 LEU H 1.0 . 5.24 482 447 A 105 TYR HE% A 108 LEU HD1% 1.0 . 5.78 483 448 A 109 TYR HE% A 108 LEU HG 1.0 . 5.44 484 449 A 105 TYR HE% A 108 LEU HG 1.0 . 5.68 485 450 A 54 ASN HBx A 57 CYS H 1.0 . 4.92 486 451 A 47 ILE H A 46 LEU HBy 1.0 . 4.82 487 452 A 67 PRO HBx A 69 GLY H 1.0 . 6.00 488 453 A 70 GLU HBx A 69 GLY H 1.0 . 6.00 489 454 A 47 ILE H A 53 ILE HA 1.0 . 5.14 490 455 A 47 ILE H A 46 LEU HBx 1.0 . 4.48 491 456 A 47 ILE HD1% A 48 LEU H 1.0 . 4.59 492 457 A 48 LEU H A 48 LEU HBx 1.0 . 4.16 493 458 A 47 ILE H A 48 LEU H 1.0 . 4.61 494 459 A 48 LEU H A 50 ASN H 1.0 . 5.55 495 460 A 51 GLY HAx A 50 ASN H 1.0 . 5.38 496 461 A 50 ASN H A 49 PRO HGy 1.0 . 4.43 497 461 A 50 ASN H A 49 PRO HG2 1.0 . 4.43 498 462 A 50 ASN HD21 A 50 ASN H 1.0 . 5.25 499 463 A 51 GLY H A 50 ASN HBy 1.0 . 4.31 500 464 A 52 ASN H A 52 ASN HBy 1.0 . 4.47 501 465 A 51 GLY H A 52 ASN HBx 1.0 . 5.35 502 466 A 52 ASN H A 50 ASN HBy 1.0 . 4.43 503 467 A 50 ASN HA A 52 ASN H 1.0 . 5.11 504 468 A 50 ASN HD21 A 52 ASN H 1.0 . 4.77 505 469 A 50 ASN H A 52 ASN H 1.0 . 3.87 506 470 A 52 ASN H A 52 ASN HD22 1.0 . 5.50 507 471 A 52 ASN HD21 A 52 ASN H 1.0 . 6.00 508 472 A 50 ASN HD21 A 52 ASN HD21 1.0 . 6.00 509 473 A 50 ASN HD22 A 52 ASN HD21 1.0 . 6.00 510 474 A 48 LEU H A 52 ASN H 1.0 . 4.64 511 475 A 52 ASN HD21 A 48 LEU HD2% 1.0 . 6.00 512 476 A 52 ASN HD21 A 52 ASN HBy 1.0 . 3.60 513 477 A 53 ILE HB A 52 ASN HD22 1.0 . 5.52 514 478 A 52 ASN HD22 A 52 ASN HBx 1.0 . 4.02 515 479 A 52 ASN HD22 A 52 ASN HBy 1.0 . 4.33 516 480 A 53 ILE H A 52 ASN HBx 1.0 . 4.00 517 481 A 53 ILE H A 52 ASN HBy 1.0 . 4.43 518 482 A 53 ILE HB A 54 ASN H 1.0 . 4.48 519 483 A 53 ILE HG1x A 54 ASN H 1.0 . 5.06 520 484 A 54 ASN H A 55 TRP H 1.0 . 4.78 521 485 A 53 ILE HB A 55 TRP H 1.0 . 4.99 522 486 A 56 ASN HBx A 55 TRP H 1.0 . 5.13 523 487 A 64 ALA HB% A 56 ASN H 1.0 . 6.00 524 488 A 61 GLY H A 62 GLY H 1.0 . 4.78 525 489 A 60 LEU HG A 61 GLY H 1.0 . 5.30 526 490 A 60 LEU HBy A 63 MET H 1.0 . 5.63 527 491 A 60 LEU HBx A 63 MET H 1.0 . 5.83 528 492 A 65 SER H A 65 SER HBx 1.0 . 2.86 529 493 A 66 GLY H A 65 SER HBx 1.0 . 4.85 530 494 A 66 GLY HAy A 68 CYS H 1.0 . 5.12 531 495 A 67 PRO HDy A 68 CYS H 1.0 . 4.59 532 496 A 68 CYS HBy A 69 GLY H 1.0 . 5.42 533 497 A 69 GLY H A 68 CYS H 1.0 . 3.37 534 498 A 68 CYS HBy A 70 GLU H 1.0 . 6.00 535 499 A 73 LYS HGy A 70 GLU H 1.0 . 5.65 536 500 A 68 CYS HA A 70 GLU H 1.0 . 4.27 537 501 A 69 GLY H A 70 GLU H 1.0 . 3.40 538 502 A 70 GLU H A 71 GLN HGx 1.0 . 4.66 539 503 A 71 GLN HBx A 71 GLN H 1.0 . 3.63 540 504 A 71 GLN HE21 A 71 GLN HBx 1.0 . 4.56 541 505 A 71 GLN HA A 71 GLN HE22 1.0 . 6.00 542 506 A 71 GLN HE22 A 71 GLN HBx 1.0 . 5.91 543 507 A 71 GLN HBx A 72 PHE H 1.0 . 4.50 544 508 A 71 GLN HGy A 72 PHE H 1.0 . 4.91 545 509 A 73 LYS H A 72 PHE HBx 1.0 . 4.76 546 510 A 73 LYS H A 73 LYS HGx 1.0 . 3.99 547 511 A 73 LYS HBx A 73 LYS H 1.0 . 4.22 548 512 A 73 LYS H A 74 SER H 1.0 . 3.66 549 513 A 74 SER H A 73 LYS HGx 1.0 . 4.87 550 514 A 74 SER H A 71 GLN H 1.0 . 6.00 551 515 A 72 PHE HD% A 76 PHE H 1.0 . 5.86 552 516 A 76 PHE H A 75 ALA H 1.0 . 4.00 553 517 A 73 LYS HA A 77 SER H 1.0 . 4.98 554 518 A 78 CYS H A 77 SER HB2 1.0 . 3.41 555 518 A 77 SER HBy A 78 CYS H 1.0 . 3.41 556 519 A 80 HIS H A 78 CYS HBx 1.0 . 5.69 557 520 A 76 PHE HA A 80 HIS H 1.0 . 6.00 558 521 A 80 HIS H A 77 SER HB2 1.0 . 5.41 559 521 A 80 HIS H A 77 SER HBy 1.0 . 5.41 560 522 A 80 HIS H A 78 CYS HA 1.0 . 5.75 561 523 A 81 TYR H A 82 SER HBx 1.0 . 6.00 562 524 A 80 HIS HA A 82 SER H 1.0 . 5.87 563 525 A 81 TYR HBy A 82 SER H 1.0 . 3.81 564 526 A 53 ILE HD1% A 81 TYR H 1.0 . 5.66 565 527 A 83 THR HG2% A 82 SER H 1.0 . 4.04 566 528 A 80 HIS HA A 83 THR H 1.0 . 4.41 567 529 A 83 THR H A 85 GLU H 1.0 . 5.57 568 530 A 84 GLU H A 82 SER HBx 1.0 . 4.63 569 531 A 84 GLU HBx A 85 GLU H 1.0 . 3.63 570 532 A 87 LYS HA A 86 ILE H 1.0 . 5.27 571 533 A 86 ILE H A 84 GLU H 1.0 . 4.82 572 534 A 86 ILE H A 85 GLU H 1.0 . 4.30 573 535 A 88 GLY H A 87 LYS H 1.0 . 5.10 574 536 A 88 GLY H A 87 LYS HBx 1.0 . 5.63 575 537 A 88 GLY H A 89 SER H 1.0 . 3.87 576 538 A 88 GLY H A 90 ASP H 1.0 . 5.09 577 539 A 84 GLU HBx A 89 SER H 1.0 . 5.59 578 540 A 89 SER H A 90 ASP H 1.0 . 4.02 579 541 A 90 ASP H A 89 SER HBx 1.0 . 4.52 580 542 A 88 GLY HAy A 90 ASP H 1.0 . 4.92 581 543 A 88 GLY HAy A 91 CYS H 1.0 . 5.55 582 544 A 92 VAL HG2% A 91 CYS H 1.0 . 5.37 583 545 A 91 CYS HBy A 92 VAL H 1.0 . 4.96 584 546 A 95 PHE HD% A 92 VAL H 1.0 . 4.90 585 547 A 92 VAL HG2% A 94 GLN H 1.0 . 5.30 586 548 A 94 GLN HE22 A 94 GLN HA 1.0 . 5.00 587 549 A 94 GLN HE22 A 78 CYS HBy 1.0 . 4.71 588 550 A 95 PHE H A 94 GLN H 1.0 . 4.22 589 551 A 94 GLN HBx A 95 PHE H 1.0 . 4.54 590 552 A 95 PHE H A 96 ARG H 1.0 . 4.12 591 553 A 97 ALA H A 93 ASP HB2 1.0 . 5.43 592 553 A 93 ASP HBy A 97 ALA H 1.0 . 5.43 593 554 A 94 GLN HA A 97 ALA H 1.0 . 5.34 594 555 A 95 PHE H A 97 ALA H 1.0 . 4.59 595 556 A 98 MET H A 96 ARG HB2 1.0 . 5.82 596 556 A 96 ARG HBy A 98 MET H 1.0 . 5.82 597 557 A 97 ALA H A 98 MET H 1.0 . 3.88 598 558 A 99 GLN H A 98 MET HB2 1.0 . 4.56 599 558 A 99 GLN H A 98 MET HBy 1.0 . 4.56 600 559 A 98 MET HA A 99 GLN H 1.0 . 3.55 601 560 A 97 ALA HB% A 100 GLU H 1.0 . 6.00 602 561 A 104 LYS HGy A 103 GLN H 1.0 . 6.00 603 562 A 101 CYS HA A 103 GLN H 1.0 . 4.58 604 563 A 102 MET H A 103 GLN H 1.0 . 3.29 605 564 A 103 GLN HBy A 103 GLN HE21 1.0 . 4.57 606 565 A 101 CYS HA A 104 LYS H 1.0 . 4.03 607 566 A 105 TYR H A 103 GLN H 1.0 . 5.94 608 567 A 104 LYS HGy A 105 TYR H 1.0 . 5.15 609 568 A 104 LYS HBx A 105 TYR H 1.0 . 4.02 610 569 A 104 LYS HGx A 105 TYR H 1.0 . 5.43 611 570 A 108 LEU HD1% A 105 TYR H 1.0 . 5.34 612 571 A 108 LEU HBy A 107 ASP H 1.0 . 5.62 613 572 A 108 LEU HA A 107 ASP H 1.0 . 4.86 614 573 A 106 PRO HA A 108 LEU H 1.0 . 5.78 615 574 A 107 ASP HBx A 108 LEU H 1.0 . 5.23 616 575 A 108 LEU H A 107 ASP HBy 1.0 . 5.08 617 576 A 108 LEU H A 109 TYR HBx 1.0 . 6.00 618 577 A 109 TYR HE% A 108 LEU H 1.0 . 4.76 619 578 A 108 LEU HBy A 109 TYR H 1.0 . 5.74 620 579 A 109 TYR H A 110 PRO HDx 1.0 . 4.61 621 580 A 107 ASP H A 109 TYR H 1.0 . 4.95 622 581 A 54 ASN HBy A 48 LEU H 1.0 . 5.73 623 582 A 48 LEU H A 51 GLY H 1.0 . 5.87 624 583 A 47 ILE H A 45 GLY HAx 1.0 . 4.52 625 584 A 48 LEU H A 53 ILE HA 1.0 . 4.16 626 585 A 48 LEU H A 49 PRO HD2 1.0 . 5.09 627 585 A 48 LEU H A 49 PRO HDy 1.0 . 5.09 628 586 A 48 LEU H A 52 ASN HBx 1.0 . 5.41 629 587 A 54 ASN HBx A 48 LEU H 1.0 . 5.95 630 588 A 50 ASN HD21 A 52 ASN HBx 1.0 . 4.81 631 589 A 50 ASN HD21 A 48 LEU HBy 1.0 . 6.00 632 590 A 51 GLY H A 50 ASN HBx 1.0 . 5.42 633 591 A 49 PRO HBy A 51 GLY H 1.0 . 6.00 634 592 A 48 LEU HD2% A 52 ASN HD22 1.0 . 5.24 635 593 A 54 ASN H A 54 ASN HD22 1.0 . 5.95 636 594 A 47 ILE HD1% A 54 ASN H 1.0 . 5.08 637 595 A 57 CYS HBy A 56 ASN H 1.0 . 5.23 638 596 A 60 LEU HG A 60 LEU H 1.0 . 4.98 639 597 A 60 LEU H A 60 LEU HD1% 1.0 . 4.89 640 598 A 60 LEU HBx A 57 CYS H 1.0 . 5.30 641 599 A 61 GLY H A 60 LEU HD1% 1.0 . 6.00 642 600 A 64 ALA H A 65 SER H 1.0 . 3.24 643 601 A 69 GLY H A 67 PRO HGx 1.0 . 6.00 644 602 A 68 CYS H A 70 GLU H 1.0 . 5.82 645 603 A 70 GLU HBx A 72 PHE H 1.0 . 6.00 646 604 A 69 GLY HAx A 72 PHE H 1.0 . 6.00 647 605 A 71 GLN HE21 A 71 GLN HBy 1.0 . 5.32 648 606 A 73 LYS HDx A 73 LYS H 1.0 . 4.68 649 607 A 73 LYS HDy A 73 LYS H 1.0 . 4.86 650 608 A 71 GLN HA A 73 LYS H 1.0 . 4.98 651 609 A 73 LYS H A 71 GLN H 1.0 . 4.93 652 610 A 73 LYS HA A 76 PHE H 1.0 . 6.00 653 611 A 77 SER H A 78 CYS HBx 1.0 . 6.00 654 612 A 75 ALA HA A 78 CYS H 1.0 . 4.16 655 613 A 76 PHE HA A 78 CYS H 1.0 . 4.93 656 614 A 76 PHE HA A 79 PHE H 1.0 . 4.54 657 615 A 79 PHE H A 77 SER HB2 1.0 . 6.00 658 615 A 79 PHE H A 77 SER HBy 1.0 . 6.00 659 616 A 77 SER HA A 79 PHE H 1.0 . 4.75 660 617 A 80 HIS H A 82 SER H 1.0 . 5.70 661 618 A 80 HIS H A 79 PHE HBy 1.0 . 4.93 662 619 A 81 TYR H A 78 CYS H 1.0 . 5.38 663 620 A 81 TYR H A 78 CYS HA 1.0 . 4.37 664 621 A 83 THR H A 84 GLU HG2 1.0 . 6.00 665 621 A 83 THR H A 84 GLU HGy 1.0 . 6.00 666 622 A 88 GLY H A 84 GLU H 1.0 . 5.88 667 623 A 88 GLY H A 82 SER HBx 1.0 . 5.40 668 624 A 84 GLU HBx A 88 GLY H 1.0 . 6.00 669 625 A 89 SER H A 91 CYS H 1.0 . 5.70 670 626 A 89 SER H A 86 ILE HB 1.0 . 5.46 671 627 A 88 GLY HAx A 90 ASP H 1.0 . 5.00 672 628 A 88 GLY HAx A 91 CYS H 1.0 . 5.32 673 629 A 93 ASP H A 91 CYS H 1.0 . 6.00 674 630 A 106 PRO HDy A 108 LEU H 1.0 . 5.94 675 631 A 94 GLN H A 78 CYS HBy 1.0 . 6.00 676 632 A 95 PHE H A 98 MET H 1.0 . 6.00 677 633 A 94 GLN H A 78 CYS HBx 1.0 . 6.00 678 634 A 96 ARG H A 97 ALA H 1.0 . 4.74 679 635 A 96 ARG H A 98 MET H 1.0 . 6.00 680 636 A 99 GLN H A 98 MET H 1.0 . 5.49 681 637 A 97 ALA HA A 100 GLU H 1.0 . 5.82 682 638 A 101 CYS H A 100 GLU H 1.0 . 5.33 683 639 A 101 CYS H A 100 GLU HBy 1.0 . 4.99 684 640 A 101 CYS H A 103 GLN H 1.0 . 6.00 685 641 A 95 PHE HBx A 98 MET H 1.0 . 6.00 686 642 A 104 LYS H A 102 MET H 1.0 . 5.23 687 643 A 105 TYR HA A 104 LYS H 1.0 . 6.00 688 644 A 109 TYR HE% A 107 ASP H 1.0 . 5.19 689 645 A 106 PRO HGy A 108 LEU H 1.0 . 6.00 690 646 A 94 GLN HE22 A 78 CYS HBx 1.0 . 4.87 691 647 A 94 GLN HE21 A 78 CYS HBx 1.0 . 4.84 692 648 A 89 SER H A 86 ILE HG1x 1.0 . 5.77 693 649 A 61 GLY H A 59 CYS HA 1.0 . 4.70 694 650 A 72 PHE HD% A 63 MET HBy 1.0 . 4.58 695 651 A 72 PHE HE% A 63 MET HBy 1.0 . 5.12 696 652 A 72 PHE HD% A 63 MET HBx 1.0 . 4.53 697 653 A 72 PHE HE% A 63 MET HBx 1.0 . 5.40 698 654 A 72 PHE HE% A 63 MET HA 1.0 . 5.09 699 655 A 72 PHE HD% A 63 MET HA 1.0 . 5.60 700 656 A 72 PHE HD% A 53 ILE HG2% 1.0 . 5.55 701 657 A 72 PHE HD% A 63 MET HGy 1.0 . 4.65 702 658 A 72 PHE HD% A 63 MET HGx 1.0 . 5.42 703 659 A 72 PHE H A 71 GLN HGx 1.0 . 4.31 704 659 A 71 GLN HGy A 72 PHE H 1.0 . 4.31 705 660 A 102 MET H A 103 GLN HGy 1.0 . 5.50 706 661 A 103 GLN HGy A 103 GLN H 1.0 . 5.00 707 662 A 94 GLN HGx A 94 GLN HA 1.0 . 3.38 708 663 A 47 ILE HD1% A 48 LEU H 1.0 . 4.64 709 664 A 93 ASP HA A 96 ARG HB2 1.0 . 3.69 710 664 A 96 ARG HBy A 93 ASP HA 1.0 . 3.69 711 665 A 65 SER HA A 65 SER HBx 1.0 . 2.97 712 665 A 65 SER HBy A 65 SER HA 1.0 . 2.97 713 666 A 104 LYS HBx A 104 LYS H 1.0 . 3.74 714 667 A 102 MET HGx A 99 GLN HA 1.0 . 4.62 715 668 A 75 ALA HA A 78 CYS HBy 1.0 . 5.05 716 669 A 105 TYR HA A 106 PRO HBx 1.0 . 5.07 717 670 A 108 LEU HD1% A 108 LEU HA 1.0 . 4.50 718 671 A 105 TYR HA A 108 LEU HG 1.0 . 5.50 719 672 A 107 ASP HA A 109 TYR H 1.0 . 4.46 720 673 A 48 LEU HA A 49 PRO HD2 1.0 . 3.39 721 673 A 49 PRO HDy A 48 LEU HA 1.0 . 3.39 722 674 A 101 CYS H A 100 GLU HBy 1.0 . 4.29 723 675 A 91 CYS HA A 93 ASP H 1.0 . 4.86 724 676 A 91 CYS HA A 94 GLN HE21 1.0 . 4.58 725 677 A 85 GLU H A 85 GLU HBy 1.0 . 4.00 726 678 A 86 ILE H A 85 GLU HBx 1.0 . 3.69 727 679 A 73 LYS HBx A 73 LYS HDy 1.0 . 4.07 728 680 A 90 ASP HA A 91 CYS HA 1.0 . 4.95 729 681 A 72 PHE HD% A 64 ALA HA 1.0 . 4.75 730 682 A 64 ALA HA A 63 MET HA 1.0 . 5.20 731 683 A 70 GLU HBy A 71 GLN H 1.0 . 4.07 732 684 A 70 GLU HBy A 70 GLU H 1.0 . 3.68 733 685 A 70 GLU HBx A 71 GLN H 1.0 . 3.99 734 686 A 68 CYS HA A 71 GLN H 1.0 . 4.68 735 687 A 60 LEU HG A 57 CYS HBy 1.0 . 4.19 736 688 A 96 ARG HGy A 96 ARG H 1.0 . 4.36 737 689 A 96 ARG HGy A 97 ALA H 1.0 . 5.13 738 690 A 107 ASP H A 108 LEU HG 1.0 . 5.14 739 691 A 106 PRO HDy A 107 ASP H 1.0 . 4.28 740 692 A 105 TYR HA A 106 PRO HDy 1.0 . 3.36 741 693 A 106 PRO HDy A 105 TYR HBx 1.0 . 4.79 742 693 A 106 PRO HDy A 105 TYR HBy 1.0 . 4.79 743 694 A 110 PRO HDy A 109 TYR HBy 1.0 . 4.66 744 695 A 109 TYR HA A 110 PRO HDx 1.0 . 3.54 745 696 A 109 TYR H A 110 PRO HDx 1.0 . 4.63 746 697 A 54 ASN HA A 53 ILE HG2% 1.0 . 5.35 747 698 A 47 ILE H A 47 ILE HG1y 1.0 . 4.32 748 698 A 47 ILE H A 47 ILE HG1x 1.0 . 4.32 749 699 A 60 LEU HG A 57 CYS HBx 1.0 . 4.93 750 700 A 76 PHE HD% A 46 LEU HG 1.0 . 5.46 751 701 A 48 LEU HG A 53 ILE H 1.0 . 5.15 752 702 A 50 ASN HD21 A 48 LEU HG 1.0 . 4.76 753 703 A 48 LEU HG A 49 PRO HD2 1.0 . 4.06 754 703 A 48 LEU HG A 49 PRO HDy 1.0 . 4.06 755 704 A 48 LEU HG A 52 ASN HBy 1.0 . 3.49 756 704 A 48 LEU HG A 52 ASN HBx 1.0 . 3.49 757 705 A 48 LEU HG A 54 ASN HBy 1.0 . 5.19 758 706 A 66 GLY HAx A 67 PRO HDy 1.0 . 3.61 759 707 A 67 PRO HDx A 66 GLY HAy 1.0 . 3.62 760 708 A 104 LYS HA A 104 LYS HGy 1.0 . 4.00 761 709 A 104 LYS HA A 104 LYS HGx 1.0 . 3.76 762 710 A 108 LEU HD2% A 109 TYR HD% 1.0 . 4.71 763 711 A 108 LEU HD2% A 108 LEU HA 1.0 . 4.58 764 712 A 108 LEU HD2% A 105 TYR HBx 1.0 . 4.70 765 712 A 108 LEU HD2% A 105 TYR HBy 1.0 . 4.70 766 713 A 53 ILE HG1x A 46 LEU HD1% 1.0 . 4.28 767 713 A 46 LEU HD2% A 53 ILE HG1x 1.0 . 4.28 768 714 A 47 ILE HA A 46 LEU HD1% 1.0 . 5.50 769 714 A 46 LEU HD2% A 47 ILE HA 1.0 . 5.50 770 715 A 69 GLY HAy A 71 GLN H 1.0 . 5.00 771 716 A 69 GLY HAx A 71 GLN H 1.0 . 5.36 772 717 A 108 LEU HD1% A 109 TYR H 1.0 . 4.86 773 718 A 48 LEU H A 48 LEU HD1% 1.0 . 4.25 774 718 A 48 LEU H A 48 LEU HD2% 1.0 . 4.25 775 719 A 48 LEU HD1% A 49 PRO HD2 1.0 . 3.88 776 719 A 48 LEU HD2% A 49 PRO HD2 1.0 . 3.88 777 719 A 49 PRO HDy A 48 LEU HD1% 1.0 . 3.88 778 719 A 49 PRO HDy A 48 LEU HD2% 1.0 . 3.88 779 720 A 54 ASN HBx A 48 LEU HD1% 1.0 . 4.14 780 720 A 54 ASN HBx A 48 LEU HD2% 1.0 . 4.14 781 721 A 92 VAL HG1% A 93 ASP H 1.0 . 4.28 782 722 A 92 VAL HG1% A 92 VAL H 1.0 . 3.27 783 723 A 92 VAL HG1% A 91 CYS HBx 1.0 . 5.50 784 724 A 88 GLY HAy A 89 SER HA 1.0 . 5.05 785 725 A 56 ASN HA A 62 GLY HAy 1.0 . 5.59 786 726 A 83 THR HG2% A 83 THR H 1.0 . 3.87 787 727 A 83 THR HG2% A 84 GLU H 1.0 . 4.46 788 728 A 92 VAL HG2% A 92 VAL H 1.0 . 4.08 789 729 A 66 GLY HAy A 67 PRO HGy 1.0 . 4.45 790 729 A 66 GLY HAy A 67 PRO HGx 1.0 . 4.45 791 730 A 84 GLU H A 83 THR HB 1.0 . 4.52 792 731 A 96 ARG H A 96 ARG HDx 1.0 . 4.55 793 731 A 96 ARG H A 96 ARG HDy 1.0 . 4.55 794 732 A 93 ASP HA A 96 ARG HDx 1.0 . 5.17 795 732 A 93 ASP HA A 96 ARG HDy 1.0 . 5.17 796 733 A 96 ARG HB2 A 96 ARG HDx 1.0 . 3.32 797 733 A 96 ARG HBy A 96 ARG HDx 1.0 . 3.32 798 733 A 96 ARG HDy A 96 ARG HB2 1.0 . 3.32 799 733 A 96 ARG HBy A 96 ARG HDy 1.0 . 3.32 800 734 A 46 LEU HBy A 46 LEU HD1% 1.0 . 4.04 801 734 A 46 LEU HD2% A 46 LEU HBy 1.0 . 4.04 802 735 A 47 ILE H A 46 LEU HBy 1.0 . 5.00 803 736 A 64 ALA HB% A 64 ALA H 1.0 . 3.66 804 737 A 64 ALA HB% A 72 PHE HBx 1.0 . 4.21 805 738 A 92 VAL HA A 95 PHE HBx 1.0 . 4.11 806 739 A 95 PHE HD% A 92 VAL HA 1.0 . 4.66 807 740 A 109 TYR H A 108 LEU HBx 1.0 . 4.61 808 741 A 108 LEU H A 108 LEU HBx 1.0 . 4.08 809 742 A 87 LYS HEx A 87 LYS HBy 1.0 . 5.19 810 743 A 77 SER H A 75 ALA HB% 1.0 . 5.43 811 744 A 97 ALA HB% A 100 GLU HGy 1.0 . 4.08 812 745 A 49 PRO HA A 48 LEU HD1% 1.0 . 5.24 813 745 A 49 PRO HA A 48 LEU HD2% 1.0 . 5.24 814 746 A 49 PRO HA A 51 GLY H 1.0 . 4.48 815 747 A 73 LYS H A 73 LYS HE2 1.0 . 4.88 816 747 A 73 LYS HEy A 73 LYS H 1.0 . 4.88 817 748 A 70 GLU HA A 73 LYS HE2 1.0 . 4.45 818 748 A 73 LYS HEy A 70 GLU HA 1.0 . 4.45 819 749 A 64 ALA HB% A 73 LYS HE2 1.0 . 3.96 820 749 A 73 LYS HEy A 64 ALA HB% 1.0 . 3.96 821 750 A 73 LYS HGy A 73 LYS HE2 1.0 . 3.97 822 750 A 73 LYS HEy A 73 LYS HGy 1.0 . 3.97 823 751 A 86 ILE HG2% A 86 ILE HG1y 1.0 . 3.93 824 752 A 86 ILE HG2% A 87 LYS HGy 1.0 . 4.11 825 752 A 86 ILE HG2% A 87 LYS HGx 1.0 . 4.11 826 753 A 94 GLN HBx A 91 CYS HBy 1.0 . 4.93 827 754 A 47 ILE HG2% A 48 LEU H 1.0 . 3.93 828 755 A 47 ILE HG2% A 53 ILE HD1% 1.0 . 5.41 829 756 A 47 ILE HG2% A 47 ILE HA 1.0 . 3.39 830 757 A 47 ILE HG2% A 51 GLY HAx 1.0 . 3.65 831 758 A 47 ILE HG2% A 47 ILE HG1y 1.0 . 3.84 832 758 A 47 ILE HG2% A 47 ILE HG1x 1.0 . 3.84 833 759 A 48 LEU HBx A 48 LEU HD1% 1.0 . 4.02 834 759 A 48 LEU HBx A 48 LEU HD2% 1.0 . 4.02 835 760 A 48 LEU HBx A 52 ASN HBy 1.0 . 4.85 836 760 A 48 LEU HBx A 52 ASN HBx 1.0 . 4.85 837 761 A 65 SER H A 65 SER HBx 1.0 . 3.36 838 761 A 65 SER HBy A 65 SER H 1.0 . 3.36 839 762 A 109 TYR HE% A 105 TYR HBx 1.0 . 5.27 840 762 A 109 TYR HE% A 105 TYR HBy 1.0 . 5.27 841 763 A 108 LEU HD1% A 105 TYR HBx 1.0 . 4.54 842 763 A 108 LEU HD1% A 105 TYR HBy 1.0 . 4.54 843 764 A 108 LEU H A 107 ASP HBy 1.0 . 4.33 844 765 A 53 ILE HG2% A 55 TRP HA 1.0 . 4.54 845 766 A 53 ILE HG2% A 53 ILE HG1x 1.0 . 4.17 846 767 A 101 CYS HBy A 71 GLN HGx 1.0 . 4.83 847 767 A 101 CYS HBy A 71 GLN HGy 1.0 . 4.83 848 768 A 101 CYS HBy A 71 GLN HBx 1.0 . 5.20 849 769 A 101 CYS HBy A 71 GLN HE21 1.0 . 4.50 850 770 A 74 SER HBy A 74 SER H 1.0 . 3.38 851 771 A 94 GLN HGx A 74 SER HBy 1.0 . 4.66 852 772 A 53 ILE H A 52 ASN HBy 1.0 . 3.91 853 772 A 53 ILE H A 52 ASN HBx 1.0 . 3.91 854 773 A 64 ALA HA A 72 PHE HBx 1.0 . 5.50 855 774 A 90 ASP H A 89 SER HBx 1.0 . 5.44 856 775 A 54 ASN HBx A 53 ILE HA 1.0 . 5.22 857 776 A 54 ASN H A 53 ILE HA 1.0 . 3.53 858 777 A 54 ASN HBy A 53 ILE HA 1.0 . 4.80 859 778 A 48 LEU HG A 53 ILE HA 1.0 . 4.39 860 779 A 55 TRP HH2 A 53 ILE HD1% 1.0 . 5.15 861 780 A 53 ILE HD1% A 80 HIS HBx 1.0 . 5.27 862 781 A 47 ILE HD1% A 53 ILE HD1% 1.0 . 4.05 863 782 A 101 CYS HA A 102 MET HGx 1.0 . 6.00 864 783 A 100 GLU HGy A 100 GLU H 1.0 . 4.68 865 784 A 100 GLU HGy A 100 GLU HA 1.0 . 4.12 866 785 A 101 CYS HA A 103 GLN HGx 1.0 . 4.72 867 786 A 83 THR HA A 83 THR HG2% 1.0 . 3.20 868 787 A 94 GLN HA A 93 ASP HA 1.0 . 5.37 869 788 A 71 GLN HA A 71 GLN HGx 1.0 . 3.37 870 788 A 71 GLN HA A 71 GLN HGy 1.0 . 3.37 871 789 A 85 GLU HA A 85 GLU HGy 1.0 . 3.43 872 790 A 86 ILE HA A 86 ILE HD1% 1.0 . 3.80 873 791 A 86 ILE HB A 86 ILE HD1% 1.0 . 3.83 874 792 A 87 LYS HA A 88 GLY HAy 1.0 . 4.83 875 793 A 96 ARG HA A 99 GLN H 1.0 . 4.12 876 794 A 96 ARG HA A 95 PHE HBx 1.0 . 4.50 877 795 A 89 SER HBx A 86 ILE HB 1.0 . 4.16 878 796 A 81 TYR HE% A 81 TYR HA 1.0 . 5.09 879 797 A 87 LYS HBx A 87 LYS H 1.0 . 3.86 880 798 A 55 TRP HD1 A 55 TRP H 1.0 . 3.92 881 799 A 54 ASN HA A 55 TRP H 1.0 . 3.46 882 800 A 55 TRP HBy A 55 TRP H 1.0 . 3.92 883 801 A 55 TRP HBx A 55 TRP H 1.0 . 3.81 884 802 A 54 ASN HBx A 55 TRP H 1.0 . 4.71 885 803 A 48 LEU HD2% A 55 TRP H 1.0 . 5.00 886 804 A 73 LYS HGy A 72 PHE H 1.0 . 5.50 887 805 A 71 GLN HBy A 72 PHE H 1.0 . 5.11 888 806 A 53 ILE HG1y A 54 ASN H 1.0 . 5.26 889 807 A 72 PHE HD% A 75 ALA H 1.0 . 5.80 890 808 A 77 SER H A 75 ALA H 1.0 . 5.29 891 809 A 75 ALA HB% A 75 ALA H 1.0 . 4.06 892 810 A 57 CYS H A 58 PRO HD2 1.0 . 4.31 893 810 A 57 CYS H A 58 PRO HDy 1.0 . 4.31 894 811 A 57 CYS H A 57 CYS HBy 1.0 . 3.60 895 812 A 57 CYS H A 56 ASN HBy 1.0 . 5.15 896 813 A 57 CYS HBx A 57 CYS H 1.0 . 3.61 897 814 A 95 PHE H A 95 PHE HBx 1.0 . 4.07 898 815 A 94 GLN H A 93 ASP HB2 1.0 . 3.65 899 815 A 93 ASP HBy A 94 GLN H 1.0 . 3.65 900 816 A 94 GLN HBy A 94 GLN H 1.0 . 4.11 901 817 A 85 GLU H A 85 GLU HBx 1.0 . 4.00 902 818 A 94 GLN H A 94 GLN HE21 1.0 . 5.50 903 819 A 84 GLU H A 85 GLU H 1.0 . 4.48 904 820 A 83 THR H A 84 GLU H 1.0 . 3.74 905 821 A 97 ALA HA A 99 GLN H 1.0 . 5.19 906 822 A 70 GLU H A 71 GLN H 1.0 . 3.39 907 823 A 93 ASP H A 92 VAL H 1.0 . 4.15 908 824 A 93 ASP H A 93 ASP HB2 1.0 . 3.22 909 824 A 93 ASP HBy A 93 ASP H 1.0 . 3.22 910 825 A 80 HIS H A 79 PHE H 1.0 . 4.61 911 826 A 79 PHE H A 78 CYS HBx 1.0 . 4.10 912 827 A 90 ASP HA A 92 VAL H 1.0 . 5.48 913 828 A 92 VAL H A 93 ASP HB2 1.0 . 5.36 914 828 A 93 ASP HBy A 92 VAL H 1.0 . 5.36 915 829 A 83 THR H A 82 SER HBx 1.0 . 5.48 916 830 A 83 THR H A 84 GLU HBx 1.0 . 5.50 917 831 A 79 PHE H A 81 TYR H 1.0 . 5.50 918 832 A 97 ALA H A 96 ARG HB2 1.0 . 3.45 919 832 A 96 ARG HBy A 97 ALA H 1.0 . 3.45 920 833 A 95 PHE HBx A 97 ALA H 1.0 . 5.15 921 834 A 71 GLN HE22 A 70 GLU H 1.0 . 5.70 922 835 A 70 GLU HBx A 70 GLU H 1.0 . 3.35 923 836 A 74 SER HBx A 73 LYS H 1.0 . 4.96 924 837 A 73 LYS H A 72 PHE HBy 1.0 . 5.05 925 838 A 73 LYS HBy A 73 LYS H 1.0 . 4.06 926 839 A 53 ILE HG1y A 53 ILE H 1.0 . 5.07 927 840 A 53 ILE HB A 53 ILE H 1.0 . 3.55 928 841 A 101 CYS HBx A 102 MET H 1.0 . 4.28 929 842 A 102 MET H A 102 MET HGx 1.0 . 4.63 930 843 A 48 LEU HBy A 52 ASN H 1.0 . 4.14 931 844 A 48 LEU HBx A 52 ASN H 1.0 . 4.42 932 845 A 75 ALA HB% A 76 PHE H 1.0 . 5.04 933 846 A 102 MET HGy A 102 MET H 1.0 . 4.36 934 847 A 102 MET H A 102 MET HBx 1.0 . 4.02 935 848 A 78 CYS H A 78 CYS HBx 1.0 . 3.41 936 849 A 109 TYR HA A 108 LEU H 1.0 . 5.12 937 850 A 79 PHE HD% A 80 HIS H 1.0 . 5.11 938 851 A 64 ALA H A 63 MET H 1.0 . 5.00 939 852 A 63 MET H A 62 GLY H 1.0 . 4.60 940 853 A 63 MET H A 63 MET HGx 1.0 . 4.59 941 854 A 53 ILE HD1% A 80 HIS H 1.0 . 5.50 942 855 A 80 HIS HBx A 80 HIS H 1.0 . 3.85 943 856 A 98 MET H A 98 MET HG2 1.0 . 5.85 944 856 A 98 MET H A 98 MET HGy 1.0 . 5.85 945 857 A 98 MET H A 98 MET HB2 1.0 . 3.73 946 857 A 98 MET H A 98 MET HBy 1.0 . 3.73 947 858 A 89 SER H A 89 SER HBx 1.0 . 3.82 948 859 A 87 LYS HA A 89 SER H 1.0 . 4.44 949 860 A 84 GLU HBx A 89 SER H 1.0 . 5.09 950 861 A 101 CYS HBy A 100 GLU H 1.0 . 5.59 951 862 A 100 GLU H A 100 GLU HBx 1.0 . 3.53 952 863 A 86 ILE H A 89 SER HBx 1.0 . 4.20 953 864 A 86 ILE H A 84 GLU HBy 1.0 . 3.65 954 865 A 86 ILE H A 86 ILE HB 1.0 . 3.20 955 866 A 101 CYS H A 102 MET H 1.0 . 4.03 956 867 A 101 CYS HBx A 101 CYS H 1.0 . 3.44 957 868 A 103 GLN HE22 A 103 GLN H 1.0 . 5.50 958 869 A 103 GLN H A 103 GLN HGx 1.0 . 4.03 959 870 A 103 GLN H A 102 MET HBx 1.0 . 4.19 960 871 A 102 MET HGx A 103 GLN H 1.0 . 5.38 961 872 A 90 ASP H A 91 CYS H 1.0 . 4.18 962 873 A 89 SER HA A 91 CYS H 1.0 . 4.95 963 874 A 92 VAL HA A 91 CYS H 1.0 . 4.96 964 875 A 109 TYR H A 109 TYR HBy 1.0 . 4.02 965 876 A 109 TYR H A 109 TYR HBx 1.0 . 4.02 966 877 A 103 GLN HE22 A 104 LYS H 1.0 . 5.15 967 878 A 104 LYS HBy A 104 LYS H 1.0 . 3.55 968 879 A 104 LYS HGx A 104 LYS H 1.0 . 4.06 969 880 A 89 SER H A 90 ASP H 1.0 . 4.51 970 881 A 90 ASP H A 84 GLU HG2 1.0 . 4.82 971 881 A 84 GLU HGy A 90 ASP H 1.0 . 4.82 972 882 A 106 PRO HDy A 105 TYR H 1.0 . 4.95 973 883 A 105 TYR H A 105 TYR HBx 1.0 . 3.79 974 884 A 80 HIS H A 82 SER H 1.0 . 4.57 975 885 A 82 SER H A 81 TYR H 1.0 . 3.89 976 886 A 82 SER H A 82 SER HBx 1.0 . 3.30 977 887 A 82 SER H A 81 TYR HBx 1.0 . 4.70 978 888 A 68 CYS H A 67 PRO HGx 1.0 . 4.47 979 889 A 108 LEU HD1% A 107 ASP H 1.0 . 5.34 980 890 A 47 ILE H A 47 ILE HB 1.0 . 3.47 981 891 A 47 ILE H A 47 ILE HG1x 1.0 . 3.85 982 892 A 107 ASP H A 105 TYR HBx 1.0 . 5.39 983 893 A 107 ASP HBx A 107 ASP H 1.0 . 3.86 984 894 A 106 PRO HGy A 107 ASP H 1.0 . 3.76 985 895 A 74 SER HBx A 74 SER H 1.0 . 3.30 986 896 A 73 LYS HBy A 74 SER H 1.0 . 4.19 987 897 A 73 LYS HBx A 74 SER H 1.0 . 4.26 988 898 A 55 TRP HH2 A 77 SER H 1.0 . 4.25 989 899 A 53 ILE HD1% A 77 SER H 1.0 . 5.50 990 900 A 81 TYR HBy A 81 TYR H 1.0 . 4.07 991 901 A 80 HIS H A 81 TYR H 1.0 . 4.44 992 902 A 80 HIS HBy A 81 TYR H 1.0 . 3.96 993 903 A 76 PHE HD% A 77 SER H 1.0 . 5.08 994 904 A 76 PHE HBy A 77 SER H 1.0 . 5.10 995 905 A 60 LEU HG A 56 ASN H 1.0 . 5.35 996 906 A 55 TRP HBy A 56 ASN H 1.0 . 4.77 997 907 A 56 ASN HBx A 56 ASN H 1.0 . 3.49 998 908 A 53 ILE HG2% A 56 ASN H 1.0 . 5.50 999 909 A 50 ASN H A 49 PRO HD2 1.0 . 4.68 1000 909 A 49 PRO HDy A 50 ASN H 1.0 . 4.68 1001 910 A 48 LEU HBy A 50 ASN H 1.0 . 3.82 1002 911 A 50 ASN H A 50 ASN HBx 1.0 . 4.02 1003 912 A 50 ASN H A 48 LEU HD2% 1.0 . 5.62 1004 913 A 48 LEU HD2% A 52 ASN HD22 1.0 . 5.38 1005 914 A 94 GLN HE22 A 93 ASP HB2 1.0 . 4.42 1006 914 A 93 ASP HBy A 94 GLN HE22 1.0 . 4.42 1007 915 A 67 PRO HBx A 69 GLY H 1.0 . 5.80 1008 916 A 54 ASN HD22 A 48 LEU HD2% 1.0 . 5.50 1009 917 A 54 ASN HA A 54 ASN HD21 1.0 . 4.95 1010 918 A 54 ASN HD21 A 48 LEU HD2% 1.0 . 5.50 1011 919 A 67 PRO HA A 69 GLY H 1.0 . 4.52 1012 920 A 69 GLY H A 68 CYS HBx 1.0 . 4.90 1013 921 A 67 PRO HBy A 69 GLY H 1.0 . 5.80 1014 922 A 67 PRO HDx A 66 GLY H 1.0 . 5.50 1015 923 A 50 ASN H A 51 GLY H 1.0 . 3.78 1016 924 A 48 LEU HBy A 51 GLY H 1.0 . 4.52 1017 925 A 48 LEU HBx A 51 GLY H 1.0 . 5.21 1018 926 A 50 ASN HD22 A 48 LEU HD2% 1.0 . 5.50 1019 927 A 50 ASN HD21 A 48 LEU HD2% 1.0 . 5.15 1020 928 A 50 ASN HD21 A 48 LEU HBx 1.0 . 5.50 1021 929 A 61 GLY H A 62 GLY H 1.0 . 4.99 1022 930 A 60 LEU H A 61 GLY H 1.0 . 4.62 1023 931 A 76 PHE HD% A 76 PHE H 1.0 . 5.35 1024 932 A 77 SER H A 76 PHE H 1.0 . 4.35 1025 933 A 74 SER HA A 76 PHE H 1.0 . 5.50 1026 934 A 83 THR H A 84 GLU HA 1.0 . 5.58 1027 935 A 83 THR H A 82 SER H 1.0 . 5.03 1028 936 A 83 THR H A 82 SER HBx 1.0 . 4.94 1029 936 A 83 THR H A 82 SER HBy 1.0 . 4.94 1030 937 A 94 GLN H A 93 ASP H 1.0 . 4.07 1031 938 A 94 GLN H A 91 CYS HA 1.0 . 4.96 1032 939 A 94 GLN H A 92 VAL HA 1.0 . 4.80 1033 940 A 95 PHE HD% A 95 PHE H 1.0 . 4.57 1034 941 A 95 PHE H A 96 ARG H 1.0 . 5.23 1035 942 A 48 LEU H A 52 ASN H 1.0 . 4.85 1036 943 A 48 LEU H A 51 GLY H 1.0 . 4.58 1037 944 A 47 ILE HA A 48 LEU H 1.0 . 3.29 1038 945 A 48 LEU H A 49 PRO HD2 1.0 . 5.50 1039 945 A 48 LEU H A 49 PRO HDy 1.0 . 5.50 1040 946 A 48 LEU H A 53 ILE HA 1.0 . 4.36 1041 947 A 54 ASN H A 55 TRP H 1.0 . 5.22 1042 948 A 69 GLY H A 70 GLU H 1.0 . 4.29 1043 949 A 68 CYS HA A 70 GLU H 1.0 . 4.89 1044 950 A 71 GLN HA A 70 GLU H 1.0 . 5.38 1045 951 A 70 GLU HGy A 70 GLU H 1.0 . 3.83 1046 952 A 76 PHE HBx A 77 SER H 1.0 . 5.22 1047 953 A 78 CYS H A 77 SER H 1.0 . 4.42 1048 954 A 101 CYS H A 100 GLU H 1.0 . 4.18 1049 955 A 97 ALA HA A 100 GLU H 1.0 . 4.17 1050 956 A 96 ARG H A 94 GLN HA 1.0 . 4.86 1051 957 A 96 ARG H A 93 ASP HA 1.0 . 3.79 1052 958 A 96 ARG H A 95 PHE HBx 1.0 . 4.58 1053 959 A 96 ARG H A 96 ARG HB2 1.0 . 3.85 1054 959 A 96 ARG HBy A 96 ARG H 1.0 . 3.85 1055 960 A 96 ARG H A 97 ALA H 1.0 . 4.59 1056 961 A 64 ALA HB% A 73 LYS H 1.0 . 5.50 1057 962 A 73 LYS H A 72 PHE H 1.0 . 4.30 1058 963 A 72 PHE HD% A 73 LYS H 1.0 . 4.49 1059 964 A 70 GLU HA A 73 LYS H 1.0 . 4.29 1060 965 A 86 ILE H A 85 GLU H 1.0 . 3.90 1061 966 A 84 GLU HA A 85 GLU H 1.0 . 3.50 1062 967 A 99 GLN H A 98 MET H 1.0 . 4.23 1063 968 A 99 GLN H A 98 MET HB2 1.0 . 4.98 1064 968 A 99 GLN H A 98 MET HBy 1.0 . 4.98 1065 969 A 97 ALA HB% A 99 GLN H 1.0 . 5.50 1066 970 A 47 ILE HG1x A 45 GLY H 1.0 . 5.20 1067 971 A 79 PHE H A 78 CYS H 1.0 . 4.50 1068 972 A 86 ILE HA A 87 LYS H 1.0 . 3.41 1069 973 A 64 ALA H A 65 SER H 1.0 . 4.00 1070 974 A 89 SER HBy A 86 ILE H 1.0 . 5.07 1071 975 A 84 GLU HBx A 86 ILE H 1.0 . 4.30 1072 976 A 86 ILE HG2% A 86 ILE H 1.0 . 3.79 1073 977 A 97 ALA H A 95 PHE HA 1.0 . 4.80 1074 978 A 97 ALA H A 98 MET H 1.0 . 3.93 1075 979 A 97 ALA H A 93 ASP HA 1.0 . 4.90 1076 980 A 60 LEU HBx A 61 GLY H 1.0 . 4.78 1077 981 A 60 LEU HBy A 61 GLY H 1.0 . 4.77 1078 982 A 76 PHE H A 75 ALA H 1.0 . 4.34 1079 983 A 72 PHE H A 75 ALA H 1.0 . 5.09 1080 984 A 74 SER HBx A 75 ALA H 1.0 . 4.06 1081 985 A 102 MET H A 103 GLN H 1.0 . 4.41 1082 986 A 66 GLY HAy A 69 GLY H 1.0 . 4.55 1083 987 A 50 ASN H A 52 ASN H 1.0 . 4.72 1084 988 A 50 ASN HD21 A 52 ASN H 1.0 . 5.38 1085 989 A 73 LYS H A 74 SER H 1.0 . 4.53 1086 990 A 54 ASN HD21 A 55 TRP H 1.0 . 5.50 1087 991 A 81 TYR HD% A 81 TYR H 1.0 . 4.26 1088 992 A 69 GLY H A 68 CYS H 1.0 . 3.70 1089 993 A 47 ILE H A 46 LEU HD1% 1.0 . 5.50 1090 993 A 46 LEU HD2% A 47 ILE H 1.0 . 5.50 1091 994 A 47 ILE HD1% A 47 ILE H 1.0 . 4.99 1092 995 A 109 TYR HE% A 109 TYR H 1.0 . 5.07 1093 996 A 55 TRP HE1 A 55 TRP H 1.0 . 5.43 1094 997 A 109 TYR H A 108 LEU H 1.0 . 3.50 1095 998 A 104 LYS H A 103 GLN H 1.0 . 4.04 1096 999 A 57 CYS H A 56 ASN HA 1.0 . 3.23 1097 1000 A 57 CYS H A 56 ASN HBx 1.0 . 4.81 1098 1001 A 78 CYS H A 77 SER HB2 1.0 . 4.59 1099 1001 A 77 SER HBy A 78 CYS H 1.0 . 4.59 1100 1002 A 91 CYS H A 91 CYS HBy 1.0 . 4.16 1101 1003 A 105 TYR HD% A 105 TYR H 1.0 . 5.50 1102 1004 A 109 TYR HE% A 105 TYR H 1.0 . 4.82 1103 1005 A 55 TRP HH2 A 73 LYS H 1.0 . 5.35 1104 1006 A 55 TRP HH2 A 76 PHE H 1.0 . 5.25 1105 1007 A 55 TRP HE3 A 60 LEU HG 1.0 . 5.00 1106 1008 A 50 ASN HD22 A 50 ASN HBx 1.0 . 3.97 1107 1009 A 107 ASP H A 108 LEU H 1.0 . 3.54 1108 1010 A 108 LEU HD2% A 108 LEU H 1.0 . 4.35 1109 1011 A 84 GLU H A 82 SER HBx 1.0 . 5.05 1110 1011 A 84 GLU H A 82 SER HBy 1.0 . 5.05 1111 1012 A 72 PHE HE% A 60 LEU HBy 1.0 . 4.60 1112 1013 A 72 PHE HE% A 60 LEU HA 1.0 . 4.49 1113 1014 A 48 LEU HBx A 50 ASN H 1.0 . 3.99 1114 1015 A 76 PHE HD% A 95 PHE HD% 1.0 . 5.54 1115 1016 A 50 ASN HD21 A 52 ASN HD22 1.0 . 5.07 1116 1017 A 94 GLN HE22 A 91 CYS HA 1.0 . 5.13 1117 1018 A 72 PHE HD% A 72 PHE HA 1.0 . 3.38 1118 1019 A 72 PHE HD% A 72 PHE H 1.0 . 4.52 1119 1020 A 79 PHE HD% A 79 PHE H 1.0 . 4.88 1120 1021 A 53 ILE HD1% A 52 ASN HD21 1.0 . 5.50 1121 1022 A 71 GLN HE22 A 68 CYS HA 1.0 . 5.41 1122 1023 A 81 TYR HE% A 53 ILE HD1% 1.0 . 4.64 1123 1024 A 76 PHE HD% A 47 ILE HD1% 1.0 . 5.48 1124 1025 A 76 PHE HD% A 95 PHE HE% 1.0 . 4.53 1125 1026 A 73 LYS HDx A 55 TRP HZ3 1.0 . 5.50 1126 1027 A 55 TRP HZ3 A 55 TRP HA 1.0 . 4.78 1127 1028 A 50 ASN HD21 A 52 ASN HBy 1.0 . 5.16 1128 1028 A 50 ASN HD21 A 52 ASN HBx 1.0 . 5.16 1129 1029 A 105 TYR HA A 107 ASP H 1.0 . 4.45 1130 1030 A 105 TYR HD% A 105 TYR HA 1.0 . 3.20 1131 1031 A 105 TYR HA A 105 TYR HE% 1.0 . 4.40 1132 1032 A 109 TYR HD% A 109 TYR HA 1.0 . 4.50 1133 1033 A 56 ASN HA A 56 ASN HD22 1.0 . 3.65 1134 1034 A 52 ASN HA A 52 ASN HD22 1.0 . 4.21 1135 1035 A 52 ASN HD21 A 52 ASN HA 1.0 . 4.10 1136 1036 A 56 ASN HA A 56 ASN HD21 1.0 . 3.54 1137 1037 A 55 TRP HE1 A 52 ASN HA 1.0 . 5.57 1138 1038 A 52 ASN HA A 48 LEU HD1% 1.0 . 5.09 1139 1038 A 52 ASN HA A 48 LEU HD2% 1.0 . 5.09 1140 1039 A 52 ASN HA A 53 ILE H 1.0 . 3.46 1141 1040 A 47 ILE HG2% A 52 ASN HA 1.0 . 5.16 1142 1041 A 53 ILE HD1% A 52 ASN HA 1.0 . 6.00 1143 1042 A 65 SER HA A 66 GLY H 1.0 . 3.53 1144 1043 A 64 ALA HB% A 65 SER HA 1.0 . 5.42 1145 1044 A 83 THR HA A 83 THR HB 1.0 . 2.61 1146 1045 A 50 ASN HA A 52 ASN H 1.0 . 5.17 1147 1046 A 50 ASN HD22 A 50 ASN HA 1.0 . 4.70 1148 1047 A 50 ASN HD21 A 50 ASN HA 1.0 . 5.17 1149 1048 A 54 ASN HA A 54 ASN HD22 1.0 . 4.96 1150 1049 A 55 TRP HE3 A 55 TRP HA 1.0 . 3.28 1151 1050 A 97 ALA HB% A 93 ASP HA 1.0 . 5.33 1152 1051 A 47 ILE HA A 53 ILE HA 1.0 . 3.65 1153 1052 A 49 PRO HG2 A 48 LEU HA 1.0 . 4.68 1154 1053 A 101 CYS HA A 103 GLN H 1.0 . 4.67 1155 1054 A 67 PRO HA A 68 CYS HA 1.0 . 4.81 1156 1055 A 98 MET H A 95 PHE HA 1.0 . 4.71 1157 1056 A 95 PHE HD% A 95 PHE HA 1.0 . 3.76 1158 1057 A 77 SER HA A 80 HIS HBy 1.0 . 4.50 1159 1058 A 77 SER HA A 81 TYR HE% 1.0 . 4.14 1160 1059 A 73 LYS HA A 74 SER HA 1.0 . 4.81 1161 1060 A 81 TYR HD% A 81 TYR HA 1.0 . 3.13 1162 1061 A 108 LEU HA A 107 ASP H 1.0 . 5.04 1163 1062 A 96 ARG HA A 96 ARG HDx 1.0 . 3.65 1164 1062 A 96 ARG HA A 96 ARG HDy 1.0 . 3.65 1165 1063 A 53 ILE HG2% A 46 LEU HA 1.0 . 6.00 1166 1064 A 69 GLY HAy A 68 CYS H 1.0 . 4.87 1167 1065 A 57 CYS HBx A 58 PRO HD2 1.0 . 3.71 1168 1065 A 57 CYS HBx A 58 PRO HDy 1.0 . 3.71 1169 1066 A 89 SER HBy A 86 ILE HB 1.0 . 4.51 1170 1067 A 57 CYS HA A 58 PRO HD2 1.0 . 3.54 1171 1067 A 58 PRO HDy A 57 CYS HA 1.0 . 3.54 1172 1068 A 89 SER HBy A 90 ASP H 1.0 . 5.19 1173 1069 A 57 CYS HBy A 58 PRO HD2 1.0 . 3.72 1174 1069 A 58 PRO HDy A 57 CYS HBy 1.0 . 3.72 1175 1070 A 94 GLN HA A 97 ALA H 1.0 . 4.47 1176 1071 A 77 SER H A 77 SER HB2 1.0 . 4.20 1177 1071 A 77 SER HBy A 77 SER H 1.0 . 4.20 1178 1072 A 55 TRP HH2 A 77 SER HB2 1.0 . 5.18 1179 1072 A 55 TRP HH2 A 77 SER HBy 1.0 . 5.18 1180 1073 A 81 TYR HE% A 77 SER HB2 1.0 . 4.45 1181 1073 A 81 TYR HE% A 77 SER HBy 1.0 . 4.45 1182 1074 A 81 TYR HD% A 77 SER HB2 1.0 . 4.13 1183 1074 A 81 TYR HD% A 77 SER HBy 1.0 . 4.13 1184 1075 A 83 THR HA A 84 GLU HA 1.0 . 5.01 1185 1076 A 102 MET HA A 102 MET HGx 1.0 . 3.83 1186 1077 A 75 ALA HA A 78 CYS HBy 1.0 . 4.48 1187 1077 A 75 ALA HA A 78 CYS HBx 1.0 . 4.48 1188 1078 A 104 LYS HA A 104 LYS HE2 1.0 . 4.13 1189 1078 A 104 LYS HA A 104 LYS HEy 1.0 . 4.13 1190 1079 A 70 GLU HA A 73 LYS HDy 1.0 . 5.16 1191 1080 A 70 GLU HGy A 70 GLU HA 1.0 . 3.85 1192 1081 A 64 ALA HB% A 65 SER HBx 1.0 . 5.28 1193 1081 A 64 ALA HB% A 65 SER HBy 1.0 . 5.28 1194 1082 A 79 PHE HD% A 79 PHE HA 1.0 . 4.37 1195 1083 A 79 PHE HA A 78 CYS HBy 1.0 . 5.15 1196 1083 A 79 PHE HA A 78 CYS HBx 1.0 . 5.15 1197 1084 A 82 SER H A 82 SER HBx 1.0 . 3.78 1198 1084 A 82 SER H A 82 SER HBy 1.0 . 3.78 1199 1085 A 107 ASP H A 106 PRO HDx 1.0 . 4.32 1200 1086 A 105 TYR H A 106 PRO HDx 1.0 . 4.84 1201 1087 A 105 TYR HD% A 106 PRO HDx 1.0 . 4.35 1202 1088 A 105 TYR HA A 106 PRO HDx 1.0 . 3.35 1203 1089 A 110 PRO HDy A 109 TYR H 1.0 . 5.37 1204 1090 A 95 PHE H A 92 VAL HA 1.0 . 4.63 1205 1091 A 92 VAL HA A 95 PHE HBy 1.0 . 4.65 1206 1092 A 87 LYS HA A 87 LYS HEy 1.0 . 4.80 1207 1093 A 87 LYS HA A 87 LYS HEx 1.0 . 4.70 1208 1094 A 73 LYS HA A 76 PHE H 1.0 . 4.86 1209 1095 A 73 LYS HA A 55 TRP HZ2 1.0 . 4.36 1210 1096 A 73 LYS HA A 55 TRP HZ3 1.0 . 4.46 1211 1097 A 73 LYS HA A 64 ALA HB% 1.0 . 5.39 1212 1098 A 67 PRO HDy A 68 CYS H 1.0 . 5.23 1213 1099 A 109 TYR HBy A 110 PRO HDx 1.0 . 5.07 1214 1100 A 108 LEU HD2% A 110 PRO HDx 1.0 . 5.50 1215 1101 A 67 PRO HDx A 68 CYS H 1.0 . 4.48 1216 1102 A 54 ASN HBy A 48 LEU HD1% 1.0 . 4.20 1217 1102 A 54 ASN HBy A 48 LEU HD2% 1.0 . 4.20 1218 1103 A 53 ILE HG2% A 54 ASN HBy 1.0 . 5.35 1219 1104 A 55 TRP HBy A 57 CYS H 1.0 . 5.21 1220 1105 A 55 TRP HD1 A 55 TRP HBy 1.0 . 3.62 1221 1106 A 64 ALA HB% A 55 TRP HBy 1.0 . 4.11 1222 1107 A 71 GLN HE21 A 68 CYS HBy 1.0 . 5.33 1223 1108 A 68 CYS HBy A 71 GLN HGx 1.0 . 4.78 1224 1108 A 71 GLN HGy A 68 CYS HBy 1.0 . 4.78 1225 1109 A 79 PHE H A 81 TYR HBy 1.0 . 5.78 1226 1110 A 101 CYS HBy A 102 MET H 1.0 . 4.45 1227 1111 A 71 GLN HE22 A 101 CYS HBy 1.0 . 5.69 1228 1112 A 101 CYS HBy A 101 CYS H 1.0 . 3.92 1229 1113 A 78 CYS H A 78 CYS HBy 1.0 . 3.82 1230 1113 A 78 CYS H A 78 CYS HBx 1.0 . 3.82 1231 1114 A 79 PHE H A 78 CYS HBy 1.0 . 4.27 1232 1114 A 79 PHE H A 78 CYS HBx 1.0 . 4.27 1233 1115 A 105 TYR H A 105 TYR HBx 1.0 . 3.81 1234 1115 A 105 TYR H A 105 TYR HBy 1.0 . 3.81 1235 1116 A 107 ASP H A 105 TYR HBx 1.0 . 4.99 1236 1116 A 107 ASP H A 105 TYR HBy 1.0 . 4.99 1237 1117 A 71 GLN HE22 A 101 CYS HBx 1.0 . 5.29 1238 1118 A 104 LYS HBx A 104 LYS HE2 1.0 . 3.69 1239 1118 A 104 LYS HEy A 104 LYS HBx 1.0 . 3.69 1240 1119 A 64 ALA HB% A 55 TRP HBx 1.0 . 4.05 1241 1120 A 104 LYS HBy A 104 LYS HE2 1.0 . 5.03 1242 1120 A 104 LYS HEy A 104 LYS HBy 1.0 . 5.03 1243 1121 A 73 LYS H A 72 PHE HBx 1.0 . 4.89 1244 1122 A 52 ASN H A 52 ASN HBy 1.0 . 3.47 1245 1122 A 52 ASN H A 52 ASN HBx 1.0 . 3.47 1246 1123 A 48 LEU HD2% A 52 ASN HBy 1.0 . 3.75 1247 1123 A 48 LEU HD1% A 52 ASN HBy 1.0 . 3.75 1248 1123 A 52 ASN HBx A 48 LEU HD1% 1.0 . 3.75 1249 1123 A 48 LEU HD2% A 52 ASN HBx 1.0 . 3.75 1250 1124 A 51 GLY H A 52 ASN HBy 1.0 . 5.25 1251 1124 A 51 GLY H A 52 ASN HBx 1.0 . 5.25 1252 1125 A 52 ASN HD22 A 52 ASN HBy 1.0 . 3.92 1253 1125 A 52 ASN HD22 A 52 ASN HBx 1.0 . 3.92 1254 1126 A 54 ASN HD22 A 56 ASN HBx 1.0 . 5.20 1255 1127 A 107 ASP HA A 107 ASP HBy 1.0 . 2.83 1256 1128 A 108 LEU HA A 107 ASP HBy 1.0 . 4.87 1257 1129 A 92 VAL HG2% A 93 ASP HB2 1.0 . 4.75 1258 1129 A 93 ASP HBy A 92 VAL HG2% 1.0 . 4.75 1259 1130 A 91 CYS HA A 93 ASP HB2 1.0 . 4.90 1260 1130 A 93 ASP HBy A 91 CYS HA 1.0 . 4.90 1261 1131 A 93 ASP HA A 93 ASP HB2 1.0 . 2.88 1262 1131 A 93 ASP HBy A 93 ASP HA 1.0 . 2.88 1263 1132 A 94 GLN HGx A 94 GLN HE21 1.0 . 4.03 1264 1133 A 107 ASP HBx A 107 ASP HA 1.0 . 2.97 1265 1134 A 101 CYS HBx A 71 GLN HGx 1.0 . 5.09 1266 1134 A 101 CYS HBx A 71 GLN HGy 1.0 . 5.09 1267 1135 A 100 GLU HGy A 101 CYS H 1.0 . 4.57 1268 1136 A 97 ALA HA A 100 GLU HGy 1.0 . 4.51 1269 1137 A 94 GLN H A 94 GLN HGy 1.0 . 4.60 1270 1138 A 94 GLN HGy A 94 GLN HA 1.0 . 3.60 1271 1139 A 50 ASN H A 49 PRO HBy 1.0 . 4.55 1272 1140 A 49 PRO HBy A 48 LEU HD1% 1.0 . 5.33 1273 1140 A 49 PRO HBy A 48 LEU HD2% 1.0 . 5.33 1274 1141 A 81 TYR HE% A 80 HIS HBy 1.0 . 5.37 1275 1142 A 80 HIS HBy A 77 SER HB2 1.0 . 4.65 1276 1142 A 80 HIS HBy A 77 SER HBy 1.0 . 4.65 1277 1143 A 71 GLN HBy A 71 GLN H 1.0 . 3.81 1278 1144 A 101 CYS HBx A 71 GLN HBy 1.0 . 4.77 1279 1145 A 84 GLU H A 84 GLU HG2 1.0 . 4.30 1280 1145 A 84 GLU HGy A 84 GLU H 1.0 . 4.30 1281 1146 A 86 ILE H A 85 GLU HGx 1.0 . 4.72 1282 1147 A 71 GLN HE21 A 68 CYS HBx 1.0 . 4.03 1283 1148 A 70 GLU HGx A 70 GLU H 1.0 . 3.68 1284 1149 A 70 GLU HGx A 71 GLN H 1.0 . 5.50 1285 1150 A 100 GLU H A 100 GLU HGx 1.0 . 4.94 1286 1151 A 64 ALA H A 63 MET HGy 1.0 . 4.52 1287 1152 A 89 SER HBy A 84 GLU HBx 1.0 . 4.74 1288 1153 A 84 GLU HBx A 84 GLU H 1.0 . 3.67 1289 1154 A 84 GLU HBx A 90 ASP H 1.0 . 4.80 1290 1155 A 103 GLN HBy A 103 GLN H 1.0 . 3.61 1291 1156 A 99 GLN H A 99 GLN HBx 1.0 . 3.91 1292 1156 A 99 GLN H A 99 GLN HBy 1.0 . 3.91 1293 1157 A 94 GLN HBx A 94 GLN HE21 1.0 . 4.81 1294 1158 A 91 CYS H A 92 VAL HB 1.0 . 5.15 1295 1159 A 50 ASN H A 49 PRO HG2 1.0 . 5.22 1296 1160 A 49 PRO HG2 A 48 LEU HD1% 1.0 . 4.98 1297 1160 A 49 PRO HG2 A 48 LEU HD2% 1.0 . 4.98 1298 1161 A 73 LYS HBy A 73 LYS HE2 1.0 . 4.63 1299 1161 A 73 LYS HEy A 73 LYS HBy 1.0 . 4.63 1300 1162 A 100 GLU H A 100 GLU HBy 1.0 . 3.66 1301 1163 A 107 ASP H A 106 PRO HBy 1.0 . 3.89 1302 1164 A 109 TYR HA A 110 PRO HG2 1.0 . 4.16 1303 1164 A 109 TYR HA A 110 PRO HGy 1.0 . 4.16 1304 1165 A 97 ALA HB% A 100 GLU HBx 1.0 . 5.06 1305 1166 A 107 ASP H A 106 PRO HGx 1.0 . 4.07 1306 1166 A 106 PRO HGy A 107 ASP H 1.0 . 4.07 1307 1167 A 101 CYS H A 100 GLU HBx 1.0 . 3.94 1308 1168 A 105 TYR HA A 106 PRO HGx 1.0 . 4.46 1309 1168 A 105 TYR HA A 106 PRO HGy 1.0 . 4.46 1310 1169 A 86 ILE H A 85 GLU HBy 1.0 . 3.76 1311 1170 A 103 GLN H A 102 MET HBy 1.0 . 4.83 1312 1170 A 103 GLN H A 102 MET HBx 1.0 . 4.83 1313 1171 A 102 MET H A 102 MET HBy 1.0 . 3.31 1314 1171 A 102 MET H A 102 MET HBx 1.0 . 3.31 1315 1172 A 48 LEU HBy A 48 LEU H 1.0 . 4.14 1316 1173 A 48 LEU HBy A 52 ASN HBy 1.0 . 5.28 1317 1173 A 48 LEU HBy A 52 ASN HBx 1.0 . 5.28 1318 1174 A 87 LYS H A 86 ILE HB 1.0 . 4.48 1319 1175 A 47 ILE HD1% A 47 ILE HB 1.0 . 4.23 1320 1176 A 89 SER H A 86 ILE HB 1.0 . 5.50 1321 1177 A 104 LYS HBy A 105 TYR H 1.0 . 4.95 1322 1178 A 96 ARG HGy A 96 ARG HA 1.0 . 3.77 1323 1179 A 99 GLN HA A 98 MET HB2 1.0 . 5.14 1324 1179 A 98 MET HBy A 99 GLN HA 1.0 . 5.14 1325 1180 A 76 PHE HD% A 87 LYS HBy 1.0 . 5.01 1326 1181 A 94 GLN HBy A 94 GLN HE21 1.0 . 5.18 1327 1182 A 89 SER H A 84 GLU HBy 1.0 . 5.26 1328 1183 A 85 GLU H A 84 GLU HBy 1.0 . 4.58 1329 1184 A 96 ARG HGx A 96 ARG HA 1.0 . 4.03 1330 1185 A 96 ARG HGx A 96 ARG H 1.0 . 5.35 1331 1186 A 47 ILE HD1% A 46 LEU HBy 1.0 . 4.95 1332 1187 A 104 LYS HGy A 104 LYS H 1.0 . 3.98 1333 1188 A 47 ILE HD1% A 46 LEU HBx 1.0 . 5.12 1334 1189 A 97 ALA HB% A 96 ARG HA 1.0 . 5.00 1335 1190 A 46 LEU HBx A 46 LEU HD1% 1.0 . 3.89 1336 1190 A 46 LEU HD2% A 46 LEU HBx 1.0 . 3.89 1337 1191 A 97 ALA HB% A 97 ALA H 1.0 . 3.30 1338 1192 A 97 ALA HB% A 98 MET H 1.0 . 3.87 1339 1193 A 97 ALA HB% A 94 GLN HA 1.0 . 3.67 1340 1194 A 73 LYS HBy A 70 GLU HA 1.0 . 3.74 1341 1195 A 64 ALA HB% A 65 SER H 1.0 . 4.02 1342 1196 A 72 PHE HD% A 64 ALA HB% 1.0 . 3.85 1343 1197 A 64 ALA HB% A 55 TRP HZ3 1.0 . 5.12 1344 1198 A 86 ILE HA A 86 ILE HG1y 1.0 . 4.07 1345 1199 A 104 LYS HBx A 105 TYR H 1.0 . 4.70 1346 1200 A 53 ILE HG1y A 53 ILE HA 1.0 . 4.24 1347 1201 A 47 ILE HD1% A 53 ILE HG1y 1.0 . 4.49 1348 1202 A 95 PHE HD% A 75 ALA HB% 1.0 . 4.93 1349 1203 A 47 ILE HG2% A 47 ILE HG1y 1.0 . 3.62 1350 1204 A 47 ILE H A 47 ILE HG1y 1.0 . 4.38 1351 1205 A 108 LEU HBy A 107 ASP H 1.0 . 5.57 1352 1206 A 108 LEU HBy A 109 TYR H 1.0 . 4.52 1353 1207 A 104 LYS HGx A 104 LYS HE2 1.0 . 3.94 1354 1207 A 104 LYS HEy A 104 LYS HGx 1.0 . 3.94 1355 1208 A 83 THR HG2% A 82 SER H 1.0 . 5.49 1356 1209 A 101 CYS H A 102 MET HGx 1.0 . 5.50 1357 1210 A 73 LYS HGy A 73 LYS H 1.0 . 3.91 1358 1211 A 55 TRP HZ2 A 73 LYS HBx 1.0 . 4.38 1359 1212 A 72 PHE HD% A 73 LYS HGy 1.0 . 5.19 1360 1213 A 73 LYS HGy A 70 GLU HA 1.0 . 3.92 1361 1214 A 73 LYS HBx A 74 SER HA 1.0 . 4.65 1362 1215 A 86 ILE HA A 86 ILE HG1x 1.0 . 4.19 1363 1216 A 92 VAL HG1% A 89 SER HA 1.0 . 4.29 1364 1217 A 92 VAL HG1% A 91 CYS H 1.0 . 4.78 1365 1218 A 95 PHE HD% A 92 VAL HG1% 1.0 . 5.46 1366 1219 A 92 VAL HG1% A 91 CYS HA 1.0 . 5.38 1367 1220 A 92 VAL HG1% A 92 VAL HA 1.0 . 3.20 1368 1221 A 92 VAL HG2% A 93 ASP H 1.0 . 4.08 1369 1222 A 95 PHE HD% A 92 VAL HG2% 1.0 . 5.50 1370 1223 A 92 VAL HG2% A 96 ARG HGy 1.0 . 4.95 1371 1224 A 92 VAL HG2% A 93 ASP HA 1.0 . 4.04 1372 1225 A 92 VAL HG2% A 92 VAL HA 1.0 . 3.31 1373 1226 A 92 VAL HG2% A 96 ARG HDx 1.0 . 4.21 1374 1226 A 92 VAL HG2% A 96 ARG HDy 1.0 . 4.21 1375 1227 A 73 LYS HA A 73 LYS HDy 1.0 . 4.84 1376 1228 A 73 LYS HDy A 73 LYS H 1.0 . 5.25 1377 1229 A 55 TRP HZ2 A 73 LYS HDy 1.0 . 5.50 1378 1230 A 47 ILE HG2% A 51 GLY H 1.0 . 4.15 1379 1231 A 47 ILE HG2% A 52 ASN H 1.0 . 4.73 1380 1232 A 47 ILE HG2% A 47 ILE H 1.0 . 4.58 1381 1233 A 63 MET H A 63 MET HBy 1.0 . 4.09 1382 1234 A 47 ILE HG2% A 50 ASN H 1.0 . 5.24 1383 1235 A 47 ILE HG2% A 53 ILE HA 1.0 . 4.84 1384 1236 A 86 ILE HG2% A 89 SER H 1.0 . 4.80 1385 1237 A 86 ILE HG2% A 85 GLU H 1.0 . 5.39 1386 1238 A 86 ILE HG2% A 87 LYS H 1.0 . 4.24 1387 1239 A 86 ILE HG2% A 86 ILE HA 1.0 . 3.12 1388 1240 A 89 SER HBy A 86 ILE HG2% 1.0 . 4.50 1389 1241 A 86 ILE HG2% A 89 SER HBx 1.0 . 4.31 1390 1242 A 54 ASN HD21 A 48 LEU HD1% 1.0 . 5.16 1391 1242 A 54 ASN HD21 A 48 LEU HD2% 1.0 . 5.16 1392 1243 A 48 LEU HG A 48 LEU H 1.0 . 3.73 1393 1244 A 54 ASN H A 48 LEU HD1% 1.0 . 4.57 1394 1244 A 54 ASN H A 48 LEU HD2% 1.0 . 4.57 1395 1245 A 52 ASN H A 48 LEU HD1% 1.0 . 4.20 1396 1245 A 48 LEU HD2% A 52 ASN H 1.0 . 4.20 1397 1246 A 55 TRP H A 48 LEU HD1% 1.0 . 4.82 1398 1246 A 48 LEU HD2% A 55 TRP H 1.0 . 4.82 1399 1247 A 50 ASN HD22 A 48 LEU HD1% 1.0 . 4.74 1400 1247 A 50 ASN HD22 A 48 LEU HD2% 1.0 . 4.74 1401 1248 A 50 ASN H A 48 LEU HD1% 1.0 . 4.66 1402 1248 A 50 ASN H A 48 LEU HD2% 1.0 . 4.66 1403 1249 A 52 ASN HD22 A 48 LEU HD1% 1.0 . 4.92 1404 1249 A 48 LEU HD2% A 52 ASN HD22 1.0 . 4.92 1405 1250 A 54 ASN HD22 A 48 LEU HD1% 1.0 . 4.81 1406 1250 A 54 ASN HD22 A 48 LEU HD2% 1.0 . 4.81 1407 1251 A 52 ASN HD21 A 48 LEU HD1% 1.0 . 5.13 1408 1251 A 52 ASN HD21 A 48 LEU HD2% 1.0 . 5.13 1409 1252 A 50 ASN HD21 A 48 LEU HD1% 1.0 . 4.54 1410 1252 A 50 ASN HD21 A 48 LEU HD2% 1.0 . 4.54 1411 1253 A 54 ASN HA A 48 LEU HD1% 1.0 . 3.52 1412 1253 A 54 ASN HA A 48 LEU HD2% 1.0 . 3.52 1413 1254 A 48 LEU HA A 48 LEU HD1% 1.0 . 3.21 1414 1254 A 48 LEU HA A 48 LEU HD2% 1.0 . 3.21 1415 1255 A 73 LYS HDx A 73 LYS H 1.0 . 5.38 1416 1256 A 46 LEU HG A 47 ILE H 1.0 . 5.05 1417 1257 A 55 TRP HZ2 A 73 LYS HDx 1.0 . 4.41 1418 1258 A 73 LYS HA A 73 LYS HDx 1.0 . 5.16 1419 1259 A 73 LYS HBy A 73 LYS HDx 1.0 . 3.99 1420 1260 A 47 ILE HD1% A 46 LEU HG 1.0 . 4.92 1421 1261 A 46 LEU HG A 46 LEU HA 1.0 . 3.91 1422 1262 A 73 LYS HDx A 70 GLU HA 1.0 . 5.68 1423 1263 A 46 LEU HA A 46 LEU HD1% 1.0 . 3.50 1424 1263 A 46 LEU HD2% A 46 LEU HA 1.0 . 3.50 1425 1264 A 87 LYS HEx A 46 LEU HD1% 1.0 . 5.37 1426 1264 A 46 LEU HD2% A 87 LYS HEx 1.0 . 5.37 1427 1265 A 47 ILE HG1x A 46 LEU HD1% 1.0 . 3.86 1428 1265 A 46 LEU HD2% A 47 ILE HG1x 1.0 . 3.86 1429 1266 A 60 LEU HG A 60 LEU H 1.0 . 4.43 1430 1267 A 60 LEU HG A 57 CYS H 1.0 . 4.22 1431 1268 A 76 PHE HE% A 46 LEU HD1% 1.0 . 5.50 1432 1268 A 46 LEU HD2% A 76 PHE HE% 1.0 . 5.50 1433 1269 A 76 PHE HD% A 46 LEU HD1% 1.0 . 4.70 1434 1269 A 76 PHE HD% A 46 LEU HD2% 1.0 . 4.70 1435 1270 A 60 LEU HG A 60 LEU HA 1.0 . 4.25 1436 1271 A 109 TYR HE% A 108 LEU HD2% 1.0 . 4.95 1437 1272 A 108 LEU HD2% A 107 ASP H 1.0 . 5.55 1438 1273 A 55 TRP HE1 A 53 ILE HB 1.0 . 4.91 1439 1274 A 55 TRP HZ2 A 53 ILE HB 1.0 . 4.80 1440 1275 A 53 ILE HB A 54 ASN H 1.0 . 5.11 1441 1276 A 53 ILE HD1% A 80 HIS HBy 1.0 . 4.89 1442 1277 A 53 ILE HD1% A 55 TRP HE1 1.0 . 5.50 1443 1278 A 55 TRP HZ2 A 53 ILE HD1% 1.0 . 4.34 1444 1279 A 108 LEU HD1% A 108 LEU H 1.0 . 3.77 1445 1280 A 109 TYR HE% A 108 LEU HD1% 1.0 . 4.43 1446 1281 A 77 SER HA A 53 ILE HD1% 1.0 . 4.40 1447 1282 A 53 ILE HD1% A 73 LYS HDy 1.0 . 5.50 1448 1283 A 109 TYR HD% A 108 LEU HD1% 1.0 . 4.51 1449 1284 A 76 PHE HD% A 53 ILE HD1% 1.0 . 4.83 1450 1285 A 105 TYR HA A 108 LEU HD1% 1.0 . 4.37 1451 1286 A 53 ILE HD1% A 77 SER HB2 1.0 . 4.09 1452 1286 A 53 ILE HD1% A 77 SER HBy 1.0 . 4.09 1453 1287 A 53 ILE HD1% A 53 ILE HA 1.0 . 4.20 1454 1288 A 106 PRO HDy A 108 LEU HD1% 1.0 . 5.36 1455 1289 A 64 ALA H A 63 MET HBx 1.0 . 5.40 1456 1290 A 47 ILE HD1% A 53 ILE H 1.0 . 5.10 1457 1291 A 47 ILE HD1% A 47 ILE HA 1.0 . 3.66 1458 1292 A 47 ILE HD1% A 47 ILE HG2% 1.0 . 3.55 1459 1293 A 47 ILE HD1% A 46 LEU HD1% 1.0 . 5.22 1460 1293 A 46 LEU HD2% A 47 ILE HD1% 1.0 . 5.22 1461 1294 A 47 ILE HD1% A 53 ILE HA 1.0 . 3.97 1462 1295 A 47 ILE HD1% A 53 ILE HG2% 1.0 . 4.91 1463 1296 A 76 PHE HD% A 53 ILE HG1x 1.0 . 5.50 1464 1297 A 53 ILE HG1x A 54 ASN H 1.0 . 5.42 1465 1298 A 72 PHE HD% A 60 LEU HD1% 1.0 . 5.50 1466 1298 A 72 PHE HD% A 60 LEU HD2% 1.0 . 5.50 1467 1299 A 60 LEU HA A 60 LEU HD1% 1.0 . 4.02 1468 1299 A 60 LEU HA A 60 LEU HD2% 1.0 . 4.02 1469 1300 A 55 TRP HE3 A 60 LEU HD1% 1.0 . 5.50 1470 1300 A 55 TRP HE3 A 60 LEU HD2% 1.0 . 5.50 1471 1301 A 72 PHE HE% A 60 LEU HD1% 1.0 . 4.72 1472 1301 A 72 PHE HE% A 60 LEU HD2% 1.0 . 4.72 1473 1302 A 72 PHE HZ A 60 LEU HD1% 1.0 . 5.18 1474 1302 A 72 PHE HZ A 60 LEU HD2% 1.0 . 5.18 1475 1303 A 55 TRP HZ3 A 60 LEU HD1% 1.0 . 5.43 1476 1303 A 55 TRP HZ3 A 60 LEU HD2% 1.0 . 5.43 1477 1304 A 47 ILE HG2% A 53 ILE HG2% 1.0 . 5.50 1478 1305 A 55 TRP HE1 A 53 ILE HG2% 1.0 . 5.50 1479 1306 A 53 ILE HG2% A 48 LEU H 1.0 . 5.50 1480 1307 A 53 ILE HG2% A 54 ASN H 1.0 . 4.24 1481 1308 A 53 ILE HG2% A 53 ILE H 1.0 . 4.47 1482 1309 A 53 ILE HG2% A 55 TRP H 1.0 . 4.95 1483 1310 A 55 TRP HZ2 A 53 ILE HG2% 1.0 . 4.33 1484 1311 A 55 TRP HH2 A 53 ILE HG2% 1.0 . 4.90 1485 1312 A 55 TRP HE3 A 53 ILE HG2% 1.0 . 4.46 1486 1313 A 76 PHE HD% A 53 ILE HG2% 1.0 . 4.75 1487 1314 A 53 ILE HG2% A 53 ILE HA 1.0 . 3.68 1488 1315 A 53 ILE HG2% A 48 LEU HD1% 1.0 . 4.93 1489 1315 A 53 ILE HG2% A 48 LEU HD2% 1.0 . 4.93 1490 1316 A 53 ILE HG2% A 46 LEU HD1% 1.0 . 4.15 1491 1316 A 46 LEU HD2% A 53 ILE HG2% 1.0 . 4.15 1492 1317 A 53 ILE HD1% A 53 ILE HG2% 1.0 . 3.64 1493 1318 A 53 ILE HG2% A 54 ASN HBx 1.0 . 5.16 1494 1319 A 73 LYS H A 73 LYS HGx 1.0 . 4.91 1495 1320 A 64 ALA HB% A 73 LYS HGx 1.0 . 5.00 1496 1321 A 70 GLU HA A 73 LYS HGx 1.0 . 5.36 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 59 CYS C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -70.0 -30.0 PHI 2 2 A 60 LEU C A 61 GLY N A 61 GLY CA A 61 GLY C 1.0 -70.0 -30.0 PHI 3 3 A 61 GLY C A 62 GLY N A 62 GLY CA A 62 GLY C 1.0 -70.0 -30.0 PHI 4 4 A 62 GLY C A 63 MET N A 63 MET CA A 63 MET C 1.0 -70.0 -30.0 PHI 5 5 A 68 CYS C A 69 GLY N A 69 GLY CA A 69 GLY C 1.0 -70.0 -30.0 PHI 6 6 A 69 GLY C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -70.0 -30.0 PHI 7 7 A 70 GLU C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -70.0 -30.0 PHI 8 8 A 71 GLN C A 72 PHE N A 72 PHE CA A 72 PHE C 1.0 -70.0 -30.0 PHI 9 9 A 72 PHE C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -70.0 -30.0 PHI 10 10 A 73 LYS C A 74 SER N A 74 SER CA A 74 SER C 1.0 -70.0 -30.0 PHI 11 11 A 74 SER C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -70.0 -30.0 PHI 12 12 A 75 ALA C A 76 PHE N A 76 PHE CA A 76 PHE C 1.0 -70.0 -30.0 PHI 13 13 A 76 PHE C A 77 SER N A 77 SER CA A 77 SER C 1.0 -70.0 -30.0 PHI 14 14 A 77 SER C A 78 CYS N A 78 CYS CA A 78 CYS C 1.0 -70.0 -30.0 PHI 15 15 A 78 CYS C A 79 PHE N A 79 PHE CA A 79 PHE C 1.0 -70.0 -30.0 PHI 16 16 A 79 PHE C A 80 HIS N A 80 HIS CA A 80 HIS C 1.0 -70.0 -30.0 PHI 17 17 A 80 HIS C A 81 TYR N A 81 TYR CA A 81 TYR C 1.0 -70.0 -30.0 PHI 18 18 A 91 CYS C A 92 VAL N A 92 VAL CA A 92 VAL C 1.0 -70.0 -30.0 PHI 19 19 A 92 VAL C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -70.0 -30.0 PHI 20 20 A 93 ASP C A 94 GLN N A 94 GLN CA A 94 GLN C 1.0 -70.0 -30.0 PHI 21 21 A 94 GLN C A 95 PHE N A 95 PHE CA A 95 PHE C 1.0 -70.0 -30.0 PHI 22 22 A 95 PHE C A 96 ARG N A 96 ARG CA A 96 ARG C 1.0 -70.0 -30.0 PHI 23 23 A 96 ARG C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -70.0 -30.0 PHI 24 24 A 97 ALA C A 98 MET N A 98 MET CA A 98 MET C 1.0 -70.0 -30.0 PHI 25 25 A 98 MET C A 99 GLN N A 99 GLN CA A 99 GLN C 1.0 -70.0 -30.0 PHI 26 26 A 99 GLN C A 100 GLU N A 100 GLU CA A 100 GLU C 1.0 -70.0 -30.0 PHI 27 27 A 100 GLU C A 101 CYS N A 101 CYS CA A 101 CYS C 1.0 -80.0 -40.0 PHI 28 28 A 101 CYS C A 102 MET N A 102 MET CA A 102 MET C 1.0 -70.0 -30.0 PHI 29 29 A 102 MET C A 103 GLN N A 103 GLN CA A 103 GLN C 1.0 -70.0 -30.0 PHI 30 30 A 103 GLN C A 104 LYS N A 104 LYS CA A 104 LYS C 1.0 -70.0 -30.0 PHI 31 31 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 GLY N 1.0 -60.0 -20.0 PSI 32 32 A 61 GLY N A 61 GLY CA A 61 GLY C A 62 GLY N 1.0 -60.0 -20.0 PSI 33 33 A 62 GLY N A 62 GLY CA A 62 GLY C A 63 MET N 1.0 -60.0 -20.0 PSI 34 34 A 63 MET N A 63 MET CA A 63 MET C A 64 ALA N 1.0 -60.0 -20.0 PSI 35 35 A 69 GLY N A 69 GLY CA A 69 GLY C A 70 GLU N 1.0 -60.0 -20.0 PSI 36 36 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 GLN N 1.0 -60.0 -20.0 PSI 37 37 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 PHE N 1.0 -60.0 -20.0 PSI 38 38 A 72 PHE N A 72 PHE CA A 72 PHE C A 73 LYS N 1.0 -60.0 -20.0 PSI 39 39 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 SER N 1.0 -60.0 -20.0 PSI 40 40 A 74 SER N A 74 SER CA A 74 SER C A 75 ALA N 1.0 -60.0 -20.0 PSI 41 41 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 PHE N 1.0 -60.0 -20.0 PSI 42 42 A 76 PHE N A 76 PHE CA A 76 PHE C A 77 SER N 1.0 -60.0 -20.0 PSI 43 43 A 77 SER N A 77 SER CA A 77 SER C A 78 CYS N 1.0 -60.0 -20.0 PSI 44 44 A 78 CYS N A 78 CYS CA A 78 CYS C A 79 PHE N 1.0 -60.0 -20.0 PSI 45 45 A 79 PHE N A 79 PHE CA A 79 PHE C A 80 HIS N 1.0 -60.0 -20.0 PSI 46 46 A 80 HIS N A 80 HIS CA A 80 HIS C A 81 TYR N 1.0 -60.0 -20.0 PSI 47 47 A 81 TYR N A 81 TYR CA A 81 TYR C A 82 SER N 1.0 -60.0 -20.0 PSI 48 48 A 92 VAL N A 92 VAL CA A 92 VAL C A 93 ASP N 1.0 -60.0 -20.0 PSI 49 49 A 93 ASP N A 93 ASP CA A 93 ASP C A 94 GLN N 1.0 -60.0 -20.0 PSI 50 50 A 94 GLN N A 94 GLN CA A 94 GLN C A 95 PHE N 1.0 -60.0 -20.0 PSI 51 51 A 95 PHE N A 95 PHE CA A 95 PHE C A 96 ARG N 1.0 -60.0 -20.0 PSI 52 52 A 96 ARG N A 96 ARG CA A 96 ARG C A 97 ALA N 1.0 -60.0 -20.0 PSI 53 53 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 MET N 1.0 -60.0 -20.0 PSI 54 54 A 98 MET N A 98 MET CA A 98 MET C A 99 GLN N 1.0 -60.0 -20.0 PSI 55 55 A 99 GLN N A 99 GLN CA A 99 GLN C A 100 GLU N 1.0 -60.0 -20.0 PSI 56 56 A 100 GLU N A 100 GLU CA A 100 GLU C A 101 CYS N 1.0 -60.0 -20.0 PSI 57 57 A 101 CYS N A 101 CYS CA A 101 CYS C A 102 MET N 1.0 -60.0 -20.0 PSI 58 58 A 102 MET N A 102 MET CA A 102 MET C A 103 GLN N 1.0 -60.0 -20.0 PSI 59 59 A 103 GLN N A 103 GLN CA A 103 GLN C A 104 LYS N 1.0 -60.0 -20.0 PSI 60 60 A 104 LYS N A 104 LYS CA A 104 LYS C A 105 TYR N 1.0 -60.0 -20.0 PSI stop_ save_