data_nef_c19984_5lw4 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 14 CYS SG 1 25 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 HIS start . . 2 A 2 GLY middle . false 3 A 3 PHE middle . . 4 A 4 ILE middle . . 5 A 5 GLU middle . . 6 A 6 LYS middle . . 7 A 7 PRO middle . true 8 A 8 GLY middle . false 9 A 9 SER middle . . 10 A 10 ARG middle . . 11 A 11 ALA middle . . 12 A 12 ALA middle . . 13 A 13 LEU middle . . 14 A 14 CYS middle -HG . 15 A 15 SER middle . . 16 A 16 GLU middle . . 17 A 17 ALA middle . . 18 A 18 PHE middle . . 19 A 19 GLY middle . false 20 A 20 PHE middle . . 21 A 21 LEU middle . . 22 A 22 ASN middle . . 23 A 23 LEU middle . . 24 A 24 ASN middle . . 25 A 25 CYS middle -HG . 26 A 26 GLY middle . false 27 A 27 SER middle . . 28 A 28 VAL middle . . 29 A 29 MET middle . . 30 A 30 TYR middle . . 31 A 31 GLU middle . . 32 A 32 PRO middle . false 33 A 33 GLN middle . . 34 A 34 SER middle . . 35 A 35 LEU middle . . 36 A 36 GLU middle . . 37 A 37 ALA middle . . 38 A 38 LYS middle . . 39 A 39 LYS middle . . 40 A 40 GLY middle . false 41 A 41 PHE middle . . 42 A 42 PRO middle . true 43 A 43 HIS middle . . 44 A 44 SER middle . . 45 A 45 GLY middle . false 46 A 46 PRO middle . false 47 A 47 ALA middle . . 48 A 48 ASP middle . . 49 A 49 GLY middle . false 50 A 50 GLN middle . . 51 A 51 ILE middle . . 52 A 52 ALA middle . . 53 A 53 SER middle . . 54 A 54 ALA middle . . 55 A 55 GLY middle . false 56 A 56 GLY middle . false 57 A 57 LEU middle . . 58 A 58 PHE middle . . 59 A 59 GLY middle . false 60 A 60 GLY middle . false 61 A 61 ILE middle . . 62 A 62 LEU middle . . 63 A 63 ASP middle . . 64 A 64 GLN middle . . 65 A 65 GLN middle . . 66 A 66 SER middle . . 67 A 67 GLU middle . . 68 A 68 ASN middle . . 69 A 69 ARG middle . . 70 A 70 TRP middle . . 71 A 71 PHE middle . . 72 A 72 LYS middle . . 73 A 73 HIS middle . . 74 A 74 ILE middle . . 75 A 75 MET middle . . 76 A 76 THR middle . . 77 A 77 GLY middle . false 78 A 78 GLY middle . false 79 A 79 GLU middle . . 80 A 80 HIS middle . . 81 A 81 THR middle . . 82 A 82 PHE middle . . 83 A 83 THR middle . . 84 A 84 TRP middle . . 85 A 85 THR middle . . 86 A 86 TYR middle . . 87 A 87 THR middle . . 88 A 88 ALA middle . . 89 A 89 PRO middle . false 90 A 90 HIS middle . . 91 A 91 ASN middle . . 92 A 92 THR middle . . 93 A 93 SER middle . . 94 A 94 GLN middle . . 95 A 95 TRP middle . . 96 A 96 HIS middle . . 97 A 97 TYR middle . . 98 A 98 TYR middle . . 99 A 99 ILE middle . . 100 A 100 THR middle . . 101 A 101 LYS middle . . 102 A 102 LYS middle . . 103 A 103 GLY middle . false 104 A 104 TRP middle . . 105 A 105 ASP middle . . 106 A 106 PRO middle . false 107 A 107 ASP middle . . 108 A 108 LYS middle . . 109 A 109 PRO middle . false 110 A 110 LEU middle . . 111 A 111 LYS middle . . 112 A 112 ARG middle . . 113 A 113 ALA middle . . 114 A 114 ASP middle . . 115 A 115 PHE middle . . 116 A 116 GLU middle . . 117 A 117 LEU middle . . 118 A 118 ILE middle . . 119 A 119 GLY middle . false 120 A 120 ALA middle . . 121 A 121 VAL middle . . 122 A 122 PRO middle . false 123 A 123 HIS middle . . 124 A 124 ASP middle . . 125 A 125 GLY middle . false 126 A 126 SER middle . . 127 A 127 PRO middle . false 128 A 128 ALA middle . . 129 A 129 SER middle . . 130 A 130 ARG middle . . 131 A 131 ASN middle . . 132 A 132 LEU middle . . 133 A 133 SER middle . . 134 A 134 HIS middle . . 135 A 135 HIS middle . . 136 A 136 ILE middle . . 137 A 137 TYR middle . . 138 A 138 ILE middle . . 139 A 139 PRO middle . false 140 A 140 GLU middle . . 141 A 141 ASP middle . . 142 A 142 ARG middle . . 143 A 143 LEU middle . . 144 A 144 GLY middle . false 145 A 145 TYR middle . . 146 A 146 HIS middle . . 147 A 147 VAL middle . . 148 A 148 ILE middle . . 149 A 149 LEU middle . . 150 A 150 ALA middle . . 151 A 151 VAL middle . . 152 A 152 TRP middle . . 153 A 153 ASP middle . . 154 A 154 VAL middle . . 155 A 155 ALA middle . . 156 A 156 ASP middle . . 157 A 157 THR middle . . 158 A 158 GLU middle . . 159 A 159 ASN middle . . 160 A 160 ALA middle . . 161 A 161 PHE middle . . 162 A 162 TYR middle . . 163 A 163 GLN middle . . 164 A 164 VAL middle . . 165 A 165 ILE middle . . 166 A 166 ASP middle . . 167 A 167 VAL middle . . 168 A 168 ASP middle . . 169 A 169 LEU middle . . 170 A 170 VAL middle . . 171 A 171 ASN middle . . 172 A 172 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 HIS HA H 1 4.10 0.02 A 1 HIS HBy H 1 3.00 0.02 A 1 HIS HBx H 1 2.81 0.02 A 1 HIS HD2 H 1 7.02 0.02 A 1 HIS HE1 H 1 8.34 0.02 A 1 HIS C C 13 179.2 0.3 A 1 HIS CA C 13 56.9 0.3 A 1 HIS CB C 13 32.2 0.3 A 1 HIS CD2 C 13 117.0 0.3 A 1 HIS CE1 C 13 136.4 0.3 A 2 GLY H H 1 8.19 0.02 A 2 GLY HAy H 1 4.50 0.02 A 2 GLY HAx H 1 4.35 0.02 A 2 GLY C C 13 169.6 0.3 A 2 GLY CA C 13 46.6 0.3 A 2 GLY N N 15 112.7 0.3 A 3 PHE H H 1 8.59 0.02 A 3 PHE HA H 1 4.46 0.02 A 3 PHE HBy H 1 3.16 0.02 A 3 PHE HBx H 1 2.93 0.02 A 3 PHE HD1 H 1 7.17 0.02 A 3 PHE HE1 H 1 6.78 0.02 A 3 PHE HZ H 1 5.95 0.02 A 3 PHE C C 13 171.7 0.3 A 3 PHE CA C 13 55.9 0.3 A 3 PHE CB C 13 40.1 0.3 A 3 PHE N N 15 114.7 0.3 A 4 ILE H H 1 6.85 0.02 A 4 ILE HA H 1 3.33 0.02 A 4 ILE HB H 1 1.09 0.02 A 4 ILE HD1% H 1 0.44 0.02 A 4 ILE HG1y H 1 -0.45 0.02 A 4 ILE HG1x H 1 -1.44 0.02 A 4 ILE HG2% H 1 0.60 0.02 A 4 ILE C C 13 173.0 0.3 A 4 ILE CA C 13 62.6 0.3 A 4 ILE CB C 13 38.1 0.3 A 4 ILE CD1 C 13 15.5 0.3 A 4 ILE CG1 C 13 26.5 0.3 A 4 ILE CG2 C 13 17.5 0.3 A 4 ILE N N 15 118.7 0.3 A 5 GLU H H 1 8.06 0.02 A 5 GLU HA H 1 4.50 0.02 A 5 GLU HBy H 1 2.26 0.02 A 5 GLU HBx H 1 1.63 0.02 A 5 GLU HGy H 1 1.95 0.02 A 5 GLU HGx H 1 1.74 0.02 A 5 GLU C C 13 174.4 0.3 A 5 GLU CA C 13 55.2 0.3 A 5 GLU CB C 13 31.0 0.3 A 5 GLU CG C 13 33.9 0.3 A 5 GLU N N 15 127.8 0.3 A 6 LYS H H 1 7.03 0.02 A 6 LYS HA H 1 4.56 0.02 A 6 LYS HBy H 1 1.63 0.02 A 6 LYS HBx H 1 1.59 0.02 A 6 LYS HDy H 1 1.82 0.02 A 6 LYS HDx H 1 1.74 0.02 A 6 LYS HEy H 1 3.04 0.02 A 6 LYS HEx H 1 2.91 0.02 A 6 LYS HGy H 1 1.24 0.02 A 6 LYS HGx H 1 1.15 0.02 A 6 LYS C C 13 172.2 0.3 A 6 LYS CA C 13 54.2 0.3 A 6 LYS CB C 13 36.6 0.3 A 6 LYS CD C 13 29.3 0.3 A 6 LYS CE C 13 41.7 0.3 A 6 LYS CG C 13 25.0 0.3 A 6 LYS N N 15 121.3 0.3 A 7 PRO HA H 1 4.29 0.02 A 7 PRO HBy H 1 1.44 0.02 A 7 PRO HBx H 1 0.56 0.02 A 7 PRO HDy H 1 3.25 0.02 A 7 PRO HDx H 1 3.13 0.02 A 7 PRO HGy H 1 1.48 0.02 A 7 PRO HGx H 1 1.24 0.02 A 7 PRO C C 13 175.1 0.3 A 7 PRO CA C 13 62.4 0.3 A 7 PRO CB C 13 31.5 0.3 A 7 PRO CD C 13 50.3 0.3 A 7 PRO CG C 13 24.7 0.3 A 8 GLY H H 1 8.49 0.02 A 8 GLY HAy H 1 3.62 0.02 A 8 GLY HAx H 1 3.20 0.02 A 8 GLY C C 13 174.9 0.3 A 8 GLY CA C 13 46.9 0.3 A 8 GLY N N 15 106.6 0.3 A 9 SER H H 1 8.11 0.02 A 9 SER HA H 1 4.30 0.02 A 9 SER HB2 H 1 3.94 0.02 A 9 SER C C 13 171.4 0.3 A 9 SER CA C 13 57.5 0.3 A 9 SER CB C 13 65.5 0.3 A 9 SER N N 15 122.6 0.3 A 10 ARG H H 1 9.06 0.02 A 10 ARG HA H 1 3.80 0.02 A 10 ARG HBy H 1 1.99 0.02 A 10 ARG HBx H 1 1.34 0.02 A 10 ARG HD2 H 1 3.45 0.02 A 10 ARG HGy H 1 1.08 0.02 A 10 ARG HGx H 1 0.62 0.02 A 10 ARG C C 13 177.8 0.3 A 10 ARG CA C 13 59.6 0.3 A 10 ARG CB C 13 32.9 0.3 A 10 ARG CD C 13 42.8 0.3 A 10 ARG CG C 13 26.3 0.3 A 10 ARG N N 15 123.9 0.3 A 11 ALA H H 1 8.51 0.02 A 11 ALA HA H 1 3.81 0.02 A 11 ALA HB% H 1 1.21 0.02 A 11 ALA C C 13 178.9 0.3 A 11 ALA CA C 13 54.9 0.3 A 11 ALA CB C 13 19.9 0.3 A 11 ALA N N 15 116.9 0.3 A 12 ALA H H 1 7.38 0.02 A 12 ALA HA H 1 3.03 0.02 A 12 ALA HB% H 1 0.61 0.02 A 12 ALA C C 13 180.5 0.3 A 12 ALA CA C 13 55.6 0.3 A 12 ALA CB C 13 16.4 0.3 A 12 ALA N N 15 121.1 0.3 A 13 LEU H H 1 8.31 0.02 A 13 LEU HA H 1 3.98 0.02 A 13 LEU HBy H 1 1.96 0.02 A 13 LEU HBx H 1 1.38 0.02 A 13 LEU HD1% H 1 0.93 0.02 A 13 LEU HD2% H 1 0.82 0.02 A 13 LEU HG H 1 1.62 0.02 A 13 LEU C C 13 177.1 0.3 A 13 LEU CA C 13 57.3 0.3 A 13 LEU CB C 13 41.6 0.3 A 13 LEU CD1 C 13 24.2 0.3 A 13 LEU CD2 C 13 25.4 0.3 A 13 LEU CG C 13 27.1 0.3 A 13 LEU N N 15 117.7 0.3 A 14 CYS H H 1 7.29 0.02 A 14 CYS HA H 1 4.87 0.02 A 14 CYS HBy H 1 3.70 0.02 A 14 CYS HBx H 1 2.90 0.02 A 14 CYS C C 13 174.9 0.3 A 14 CYS CA C 13 58.0 0.3 A 14 CYS CB C 13 42.8 0.3 A 14 CYS N N 15 115.7 0.3 A 15 SER H H 1 8.19 0.02 A 15 SER HA H 1 4.68 0.02 A 15 SER HBy H 1 4.31 0.02 A 15 SER HBx H 1 3.83 0.02 A 15 SER C C 13 174.9 0.3 A 15 SER CA C 13 58.5 0.3 A 15 SER CB C 13 67.9 0.3 A 15 SER N N 15 116.2 0.3 A 16 GLU H H 1 9.03 0.02 A 16 GLU HA H 1 4.84 0.02 A 16 GLU HBy H 1 2.09 0.02 A 16 GLU HBx H 1 1.93 0.02 A 16 GLU HGy H 1 2.34 0.02 A 16 GLU HGx H 1 2.25 0.02 A 16 GLU C C 13 179.5 0.3 A 16 GLU CA C 13 58.8 0.3 A 16 GLU CB C 13 29.6 0.3 A 16 GLU CG C 13 36.4 0.3 A 16 GLU N N 15 125.9 0.3 A 17 ALA H H 1 8.58 0.02 A 17 ALA HA H 1 3.99 0.02 A 17 ALA HB% H 1 1.37 0.02 A 17 ALA C C 13 177.5 0.3 A 17 ALA CA C 13 54.3 0.3 A 17 ALA CB C 13 18.0 0.3 A 17 ALA N N 15 122.2 0.3 A 18 PHE H H 1 7.17 0.02 A 18 PHE HA H 1 4.28 0.02 A 18 PHE HBy H 1 3.34 0.02 A 18 PHE HBx H 1 3.03 0.02 A 18 PHE HD1 H 1 7.42 0.02 A 18 PHE HE1 H 1 7.20 0.02 A 18 PHE HZ H 1 6.62 0.02 A 18 PHE C C 13 175.3 0.3 A 18 PHE CA C 13 57.5 0.3 A 18 PHE CB C 13 40.3 0.3 A 18 PHE CZ C 13 131.6 0.3 A 18 PHE N N 15 115.9 0.3 A 19 GLY H H 1 7.72 0.02 A 19 GLY HAy H 1 3.92 0.02 A 19 GLY HAx H 1 3.56 0.02 A 19 GLY C C 13 174.0 0.3 A 19 GLY CA C 13 46.0 0.3 A 19 GLY N N 15 107.7 0.3 A 20 PHE H H 1 7.59 0.02 A 20 PHE HA H 1 4.07 0.02 A 20 PHE HBy H 1 3.34 0.02 A 20 PHE HBx H 1 3.14 0.02 A 20 PHE HD1 H 1 7.27 0.02 A 20 PHE HE1 H 1 6.74 0.02 A 20 PHE HZ H 1 6.42 0.02 A 20 PHE C C 13 174.2 0.3 A 20 PHE CA C 13 56.9 0.3 A 20 PHE CB C 13 35.9 0.3 A 20 PHE CZ C 13 132.0 0.3 A 20 PHE N N 15 113.6 0.3 A 21 LEU H H 1 6.99 0.02 A 21 LEU HA H 1 3.98 0.02 A 21 LEU HBy H 1 1.26 0.02 A 21 LEU HBx H 1 0.86 0.02 A 21 LEU HD1% H 1 0.53 0.02 A 21 LEU HD2% H 1 0.35 0.02 A 21 LEU HG H 1 1.69 0.02 A 21 LEU C C 13 178.8 0.3 A 21 LEU CA C 13 57.4 0.3 A 21 LEU CB C 13 42.4 0.3 A 21 LEU CD1 C 13 22.3 0.3 A 21 LEU CD2 C 13 24.7 0.3 A 21 LEU CG C 13 26.9 0.3 A 21 LEU N N 15 118.4 0.3 A 22 ASN H H 1 7.26 0.02 A 22 ASN HA H 1 5.49 0.02 A 22 ASN HB2 H 1 2.63 0.02 A 22 ASN HD21 H 1 8.58 0.02 A 22 ASN HD22 H 1 8.49 0.02 A 22 ASN C C 13 173.5 0.3 A 22 ASN CA C 13 51.5 0.3 A 22 ASN CB C 13 42.1 0.3 A 22 ASN N N 15 114.4 0.3 A 22 ASN ND2 N 15 120.3 0.3 A 23 LEU H H 1 8.54 0.02 A 23 LEU HA H 1 4.51 0.02 A 23 LEU HBy H 1 1.63 0.02 A 23 LEU HBx H 1 1.44 0.02 A 23 LEU HD1% H 1 0.35 0.02 A 23 LEU HD2% H 1 0.18 0.02 A 23 LEU HG H 1 0.93 0.02 A 23 LEU C C 13 176.1 0.3 A 23 LEU CA C 13 53.2 0.3 A 23 LEU CB C 13 45.5 0.3 A 23 LEU CD1 C 13 23.0 0.3 A 23 LEU CG C 13 25.2 0.3 A 23 LEU N N 15 120.8 0.3 A 24 ASN H H 1 9.35 0.02 A 24 ASN HA H 1 4.34 0.02 A 24 ASN HBy H 1 2.77 0.02 A 24 ASN HBx H 1 2.67 0.02 A 24 ASN HD21 H 1 7.63 0.02 A 24 ASN HD22 H 1 6.96 0.02 A 24 ASN C C 13 175.3 0.3 A 24 ASN CA C 13 54.0 0.3 A 24 ASN CB C 13 36.9 0.3 A 24 ASN N N 15 118.1 0.3 A 24 ASN ND2 N 15 115.8 0.3 A 25 CYS H H 1 9.79 0.02 A 25 CYS HA H 1 4.43 0.02 A 25 CYS HBy H 1 3.71 0.02 A 25 CYS HBx H 1 3.11 0.02 A 25 CYS C C 13 174.1 0.3 A 25 CYS CA C 13 57.7 0.3 A 25 CYS CB C 13 46.0 0.3 A 25 CYS N N 15 115.3 0.3 A 26 GLY H H 1 8.58 0.02 A 26 GLY HAy H 1 4.31 0.02 A 26 GLY HAx H 1 3.82 0.02 A 26 GLY C C 13 175.0 0.3 A 26 GLY CA C 13 44.7 0.3 A 26 GLY N N 15 107.1 0.3 A 27 SER H H 1 8.94 0.02 A 27 SER HA H 1 4.14 0.02 A 27 SER HB2 H 1 3.97 0.02 A 27 SER C C 13 175.9 0.3 A 27 SER CA C 13 62.0 0.3 A 27 SER CB C 13 62.7 0.3 A 27 SER N N 15 115.5 0.3 A 28 VAL H H 1 8.34 0.02 A 28 VAL HA H 1 4.24 0.02 A 28 VAL HB H 1 2.59 0.02 A 28 VAL HG1% H 1 1.83 0.02 A 28 VAL HG2% H 1 0.97 0.02 A 28 VAL C C 13 175.4 0.3 A 28 VAL CA C 13 63.2 0.3 A 28 VAL CB C 13 29.4 0.3 A 28 VAL CG1 C 13 26.6 0.3 A 28 VAL CG2 C 13 16.9 0.3 A 28 VAL N N 15 125.5 0.3 A 29 MET H H 1 7.83 0.02 A 29 MET HA H 1 3.62 0.02 A 29 MET HBy H 1 2.25 0.02 A 29 MET HBx H 1 1.57 0.02 A 29 MET HG2 H 1 2.13 0.02 A 29 MET C C 13 174.4 0.3 A 29 MET CA C 13 57.7 0.3 A 29 MET CB C 13 32.9 0.3 A 29 MET CG C 13 28.7 0.3 A 29 MET N N 15 118.8 0.3 A 30 TYR H H 1 6.90 0.02 A 30 TYR HA H 1 4.67 0.02 A 30 TYR HBy H 1 3.54 0.02 A 30 TYR HBx H 1 2.82 0.02 A 30 TYR HD1 H 1 6.73 0.02 A 30 TYR HE1 H 1 6.24 0.02 A 30 TYR C C 13 175.5 0.3 A 30 TYR CA C 13 57.9 0.3 A 30 TYR CB C 13 39.3 0.3 A 30 TYR N N 15 117.9 0.3 A 31 GLU H H 1 7.65 0.02 A 31 GLU HA H 1 4.78 0.02 A 31 GLU HBy H 1 2.19 0.02 A 31 GLU HBx H 1 1.71 0.02 A 31 GLU HGy H 1 2.09 0.02 A 31 GLU HGx H 1 1.94 0.02 A 31 GLU C C 13 171.3 0.3 A 31 GLU CA C 13 54.2 0.3 A 31 GLU CB C 13 30.8 0.3 A 31 GLU CG C 13 36.3 0.3 A 31 GLU N N 15 118.9 0.3 A 32 PRO HA H 1 3.91 0.02 A 32 PRO HBy H 1 1.35 0.02 A 32 PRO HBx H 1 0.68 0.02 A 32 PRO HDy H 1 3.56 0.02 A 32 PRO HDx H 1 3.19 0.02 A 32 PRO HGy H 1 1.14 0.02 A 32 PRO HGx H 1 1.10 0.02 A 32 PRO C C 13 176.1 0.3 A 32 PRO CA C 13 64.5 0.3 A 32 PRO CB C 13 30.4 0.3 A 32 PRO CD C 13 49.5 0.3 A 32 PRO CG C 13 26.8 0.3 A 33 GLN H H 1 9.50 0.02 A 33 GLN HA H 1 4.60 0.02 A 33 GLN HBy H 1 2.33 0.02 A 33 GLN HBx H 1 2.20 0.02 A 33 GLN HE21 H 1 7.13 0.02 A 33 GLN HE22 H 1 6.57 0.02 A 33 GLN HGy H 1 2.56 0.02 A 33 GLN HGx H 1 2.50 0.02 A 33 GLN C C 13 176.2 0.3 A 33 GLN CA C 13 56.8 0.3 A 33 GLN CB C 13 27.4 0.3 A 33 GLN CG C 13 33.3 0.3 A 33 GLN N N 15 118.2 0.3 A 33 GLN NE2 N 15 111.6 0.3 A 34 SER H H 1 7.54 0.02 A 34 SER HA H 1 5.18 0.02 A 34 SER HBy H 1 4.78 0.02 A 34 SER HBx H 1 4.23 0.02 A 34 SER C C 13 175.0 0.3 A 34 SER CA C 13 57.8 0.3 A 34 SER CB C 13 62.7 0.3 A 34 SER N N 15 119.1 0.3 A 35 LEU H H 1 8.75 0.02 A 35 LEU HA H 1 4.67 0.02 A 35 LEU HBy H 1 2.45 0.02 A 35 LEU HBx H 1 1.85 0.02 A 35 LEU HD1% H 1 1.14 0.02 A 35 LEU HD2% H 1 1.08 0.02 A 35 LEU HG H 1 1.03 0.02 A 35 LEU C C 13 172.9 0.3 A 35 LEU CA C 13 54.4 0.3 A 35 LEU CB C 13 39.0 0.3 A 35 LEU CD1 C 13 24.3 0.3 A 35 LEU CD2 C 13 24.2 0.3 A 35 LEU CG C 13 29.5 0.3 A 35 LEU N N 15 127.5 0.3 A 36 GLU H H 1 7.06 0.02 A 36 GLU HA H 1 4.22 0.02 A 36 GLU HBy H 1 1.57 0.02 A 36 GLU HBx H 1 1.13 0.02 A 36 GLU C C 13 173.8 0.3 A 36 GLU CA C 13 54.1 0.3 A 36 GLU CB C 13 32.2 0.3 A 36 GLU CG C 13 32.8 0.3 A 36 GLU N N 15 126.3 0.3 A 37 ALA H H 1 9.33 0.02 A 37 ALA HA H 1 4.66 0.02 A 37 ALA HB% H 1 1.31 0.02 A 37 ALA C C 13 175.4 0.3 A 37 ALA CA C 13 51.0 0.3 A 37 ALA CB C 13 20.9 0.3 A 37 ALA N N 15 130.7 0.3 A 38 LYS H H 1 8.00 0.02 A 38 LYS HA H 1 4.81 0.02 A 38 LYS HBy H 1 1.99 0.02 A 38 LYS HBx H 1 1.80 0.02 A 38 LYS HDy H 1 1.74 0.02 A 38 LYS HDx H 1 1.50 0.02 A 38 LYS HE2 H 1 3.03 0.02 A 38 LYS HGy H 1 1.00 0.02 A 38 LYS HGx H 1 0.74 0.02 A 38 LYS C C 13 176.8 0.3 A 38 LYS CA C 13 56.4 0.3 A 38 LYS CB C 13 33.2 0.3 A 38 LYS CD C 13 29.3 0.3 A 38 LYS CE C 13 42.1 0.3 A 38 LYS CG C 13 25.4 0.3 A 38 LYS N N 15 119.7 0.3 A 39 LYS H H 1 8.20 0.02 A 39 LYS HA H 1 4.51 0.02 A 39 LYS HBy H 1 1.70 0.02 A 39 LYS HBx H 1 1.49 0.02 A 39 LYS HDx H 1 0.93 0.02 A 39 LYS HGy H 1 1.25 0.02 A 39 LYS HGx H 1 1.10 0.02 A 39 LYS C C 13 173.7 0.3 A 39 LYS CA C 13 55.0 0.3 A 39 LYS CB C 13 33.6 0.3 A 39 LYS CD C 13 25.9 0.3 A 39 LYS CG C 13 29.4 0.3 A 39 LYS N N 15 121.5 0.3 A 40 GLY H H 1 8.48 0.02 A 40 GLY HAy H 1 4.36 0.02 A 40 GLY HAx H 1 3.64 0.02 A 40 GLY C C 13 175.1 0.3 A 40 GLY CA C 13 44.6 0.3 A 40 GLY N N 15 108.3 0.3 A 41 PHE H H 1 7.99 0.02 A 41 PHE HA H 1 4.57 0.02 A 41 PHE HB2 H 1 3.09 0.02 A 41 PHE HD1 H 1 6.99 0.02 A 41 PHE HE1 H 1 6.30 0.02 A 41 PHE C C 13 174.8 0.3 A 41 PHE CA C 13 57.2 0.3 A 41 PHE CB C 13 41.2 0.3 A 41 PHE N N 15 127.7 0.3 A 42 PRO HA H 1 2.96 0.02 A 42 PRO HBy H 1 1.64 0.02 A 42 PRO HBx H 1 0.94 0.02 A 42 PRO HDy H 1 3.14 0.02 A 42 PRO HDx H 1 3.03 0.02 A 42 PRO HGy H 1 1.77 0.02 A 42 PRO HGx H 1 1.49 0.02 A 42 PRO C C 13 175.6 0.3 A 42 PRO CA C 13 63.4 0.3 A 42 PRO CB C 13 34.0 0.3 A 42 PRO CD C 13 41.9 0.3 A 42 PRO CG C 13 27.8 0.3 A 43 HIS H H 1 8.28 0.02 A 43 HIS HA H 1 4.38 0.02 A 43 HIS HB2 H 1 3.33 0.02 A 43 HIS HD2 H 1 7.34 0.02 A 43 HIS HE1 H 1 8.26 0.02 A 43 HIS C C 13 174.5 0.3 A 43 HIS CA C 13 58.5 0.3 A 43 HIS CB C 13 28.6 0.3 A 43 HIS CD2 C 13 121.8 0.3 A 43 HIS CE1 C 13 136.3 0.3 A 43 HIS N N 15 126.0 0.3 A 44 SER H H 1 7.79 0.02 A 44 SER HA H 1 4.51 0.02 A 44 SER HB2 H 1 3.84 0.02 A 44 SER C C 13 173.0 0.3 A 44 SER CA C 13 55.9 0.3 A 44 SER CB C 13 63.7 0.3 A 44 SER N N 15 116.0 0.3 A 45 GLY H H 1 8.22 0.02 A 45 GLY HAy H 1 4.47 0.02 A 45 GLY HAx H 1 3.58 0.02 A 45 GLY C C 13 171.4 0.3 A 45 GLY CA C 13 43.6 0.3 A 45 GLY N N 15 107.8 0.3 A 46 PRO HA H 1 4.05 0.02 A 46 PRO HBy H 1 1.74 0.02 A 46 PRO HBx H 1 1.48 0.02 A 46 PRO HDy H 1 3.22 0.02 A 46 PRO HDx H 1 3.13 0.02 A 46 PRO C C 13 174.7 0.3 A 46 PRO CA C 13 63.0 0.3 A 46 PRO CB C 13 32.7 0.3 A 46 PRO CD C 13 50.3 0.3 A 46 PRO CG C 13 27.2 0.3 A 47 ALA H H 1 8.66 0.02 A 47 ALA HA H 1 4.04 0.02 A 47 ALA HB% H 1 1.38 0.02 A 47 ALA C C 13 175.7 0.3 A 47 ALA CA C 13 51.9 0.3 A 47 ALA CB C 13 19.9 0.3 A 47 ALA N N 15 126.7 0.3 A 48 ASP H H 1 8.53 0.02 A 48 ASP HA H 1 4.52 0.02 A 48 ASP HB2 H 1 2.70 0.02 A 48 ASP C C 13 176.8 0.3 A 48 ASP CA C 13 56.6 0.3 A 48 ASP CB C 13 40.1 0.3 A 48 ASP N N 15 119.9 0.3 A 49 GLY H H 1 9.07 0.02 A 49 GLY HAy H 1 4.30 0.02 A 49 GLY HAx H 1 3.70 0.02 A 49 GLY C C 13 172.8 0.3 A 49 GLY CA C 13 46.0 0.3 A 49 GLY N N 15 112.3 0.3 A 50 GLN H H 1 8.35 0.02 A 50 GLN HA H 1 5.21 0.02 A 50 GLN HBy H 1 2.01 0.02 A 50 GLN HBx H 1 1.75 0.02 A 50 GLN HE21 H 1 7.61 0.02 A 50 GLN HE22 H 1 6.66 0.02 A 50 GLN HG2 H 1 2.33 0.02 A 50 GLN C C 13 175.0 0.3 A 50 GLN CA C 13 54.2 0.3 A 50 GLN CB C 13 29.9 0.3 A 50 GLN CG C 13 35.6 0.3 A 50 GLN N N 15 119.3 0.3 A 50 GLN NE2 N 15 112.5 0.3 A 51 ILE H H 1 7.73 0.02 A 51 ILE HA H 1 3.18 0.02 A 51 ILE HB H 1 1.42 0.02 A 51 ILE HD1% H 1 0.94 0.02 A 51 ILE HG12 H 1 1.93 0.02 A 51 ILE HG2% H 1 0.38 0.02 A 51 ILE C C 13 176.6 0.3 A 51 ILE CA C 13 65.1 0.3 A 51 ILE CB C 13 40.2 0.3 A 51 ILE CD1 C 13 13.3 0.3 A 51 ILE CG1 C 13 29.3 0.3 A 51 ILE CG2 C 13 18.0 0.3 A 51 ILE N N 15 123.1 0.3 A 52 ALA H H 1 8.25 0.02 A 52 ALA HA H 1 3.79 0.02 A 52 ALA HB% H 1 1.26 0.02 A 52 ALA C C 13 177.6 0.3 A 52 ALA CA C 13 54.6 0.3 A 52 ALA CB C 13 20.5 0.3 A 52 ALA N N 15 120.5 0.3 A 53 SER H H 1 8.32 0.02 A 53 SER HA H 1 4.29 0.02 A 53 SER HBy H 1 4.57 0.02 A 53 SER HBx H 1 3.19 0.02 A 53 SER C C 13 172.7 0.3 A 53 SER CA C 13 57.8 0.3 A 53 SER CB C 13 62.7 0.3 A 53 SER N N 15 110.1 0.3 A 54 ALA H H 1 8.02 0.02 A 54 ALA HA H 1 3.18 0.02 A 54 ALA HB% H 1 1.36 0.02 A 54 ALA C C 13 174.1 0.3 A 54 ALA CA C 13 52.3 0.3 A 54 ALA CB C 13 18.4 0.3 A 54 ALA N N 15 124.0 0.3 A 55 GLY H H 1 9.26 0.02 A 55 GLY HAy H 1 4.15 0.02 A 55 GLY HAx H 1 3.71 0.02 A 55 GLY C C 13 175.3 0.3 A 55 GLY CA C 13 45.6 0.3 A 55 GLY N N 15 102.3 0.3 A 56 GLY H H 1 8.81 0.02 A 56 GLY HAy H 1 4.17 0.02 A 56 GLY HAx H 1 3.49 0.02 A 56 GLY C C 13 174.8 0.3 A 56 GLY CA C 13 45.1 0.3 A 56 GLY N N 15 111.9 0.3 A 57 LEU H H 1 7.74 0.02 A 57 LEU HA H 1 3.99 0.02 A 57 LEU HBy H 1 2.09 0.02 A 57 LEU HBx H 1 0.85 0.02 A 57 LEU HD1% H 1 0.53 0.02 A 57 LEU HD2% H 1 0.35 0.02 A 57 LEU HG H 1 1.69 0.02 A 57 LEU C C 13 179.1 0.3 A 57 LEU CA C 13 55.8 0.3 A 57 LEU CB C 13 42.8 0.3 A 57 LEU CD1 C 13 22.0 0.3 A 57 LEU CD2 C 13 24.7 0.3 A 57 LEU CG C 13 26.6 0.3 A 57 LEU N N 15 120.7 0.3 A 58 PHE H H 1 9.09 0.02 A 58 PHE HA H 1 4.27 0.02 A 58 PHE HBy H 1 3.53 0.02 A 58 PHE HBx H 1 2.99 0.02 A 58 PHE HD1 H 1 7.15 0.02 A 58 PHE HE1 H 1 6.99 0.02 A 58 PHE HZ H 1 6.89 0.02 A 58 PHE C C 13 177.5 0.3 A 58 PHE CA C 13 58.3 0.3 A 58 PHE CB C 13 37.6 0.3 A 58 PHE N N 15 119.3 0.3 A 59 GLY H H 1 8.94 0.02 A 59 GLY HAy H 1 4.34 0.02 A 59 GLY HAx H 1 3.85 0.02 A 59 GLY C C 13 175.0 0.3 A 59 GLY CA C 13 45.4 0.3 A 59 GLY N N 15 108.4 0.3 A 60 GLY H H 1 8.17 0.02 A 60 GLY HAy H 1 4.18 0.02 A 60 GLY HAx H 1 3.55 0.02 A 60 GLY C C 13 174.2 0.3 A 60 GLY CA C 13 45.7 0.3 A 60 GLY N N 15 108.5 0.3 A 61 ILE H H 1 7.15 0.02 A 61 ILE HA H 1 3.81 0.02 A 61 ILE HB H 1 2.04 0.02 A 61 ILE HD1% H 1 0.89 0.02 A 61 ILE HG1y H 1 1.64 0.02 A 61 ILE HG1x H 1 1.50 0.02 A 61 ILE HG2% H 1 1.13 0.02 A 61 ILE C C 13 178.0 0.3 A 61 ILE CA C 13 63.0 0.3 A 61 ILE CB C 13 36.1 0.3 A 61 ILE CD1 C 13 10.0 0.3 A 61 ILE CG1 C 13 28.6 0.3 A 61 ILE CG2 C 13 19.4 0.3 A 61 ILE N N 15 124.3 0.3 A 62 LEU H H 1 8.16 0.02 A 62 LEU HA H 1 4.28 0.02 A 62 LEU HBy H 1 1.27 0.02 A 62 LEU HBx H 1 1.07 0.02 A 62 LEU HD1% H 1 0.47 0.02 A 62 LEU HD2% H 1 -0.77 0.02 A 62 LEU HG H 1 0.81 0.02 A 62 LEU C C 13 174.7 0.3 A 62 LEU CA C 13 56.5 0.3 A 62 LEU CB C 13 42.0 0.3 A 62 LEU CD1 C 13 22.6 0.3 A 62 LEU CD2 C 13 26.0 0.3 A 62 LEU CG C 13 27.5 0.3 A 62 LEU N N 15 114.7 0.3 A 63 ASP H H 1 7.44 0.02 A 63 ASP HA H 1 4.63 0.02 A 63 ASP HBy H 1 3.14 0.02 A 63 ASP HBx H 1 2.82 0.02 A 63 ASP C C 13 178.7 0.3 A 63 ASP CA C 13 55.2 0.3 A 63 ASP CB C 13 41.5 0.3 A 63 ASP N N 15 112.8 0.3 A 64 GLN H H 1 8.19 0.02 A 64 GLN HA H 1 4.25 0.02 A 64 GLN HBy H 1 2.32 0.02 A 64 GLN HBx H 1 1.97 0.02 A 64 GLN HE21 H 1 7.88 0.02 A 64 GLN HE22 H 1 7.05 0.02 A 64 GLN HG2 H 1 2.09 0.02 A 64 GLN C C 13 176.8 0.3 A 64 GLN CA C 13 58.4 0.3 A 64 GLN CB C 13 27.6 0.3 A 64 GLN CG C 13 36.1 0.3 A 64 GLN N N 15 124.6 0.3 A 64 GLN NE2 N 15 112.0 0.3 A 65 GLN H H 1 8.93 0.02 A 65 GLN HA H 1 4.47 0.02 A 65 GLN HBy H 1 2.16 0.02 A 65 GLN HBx H 1 1.88 0.02 A 65 GLN HE21 H 1 8.02 0.02 A 65 GLN C C 13 171.7 0.3 A 65 GLN CA C 13 56.9 0.3 A 65 GLN CB C 13 31.0 0.3 A 65 GLN N N 15 126.3 0.3 A 65 GLN NE2 N 15 118.3 0.3 A 66 SER H H 1 7.14 0.02 A 66 SER HA H 1 5.40 0.02 A 66 SER HBy H 1 4.08 0.02 A 66 SER HBx H 1 3.99 0.02 A 66 SER C C 13 175.4 0.3 A 66 SER CA C 13 57.9 0.3 A 66 SER CB C 13 65.2 0.3 A 66 SER N N 15 120.4 0.3 A 67 GLU H H 1 8.91 0.02 A 67 GLU HA H 1 3.95 0.02 A 67 GLU HBy H 1 2.16 0.02 A 67 GLU HBx H 1 1.97 0.02 A 67 GLU HGy H 1 2.43 0.02 A 67 GLU HGx H 1 2.32 0.02 A 67 GLU C C 13 175.7 0.3 A 67 GLU CA C 13 60.1 0.3 A 67 GLU CB C 13 29.4 0.3 A 67 GLU CG C 13 34.4 0.3 A 67 GLU N N 15 122.1 0.3 A 68 ASN H H 1 8.12 0.02 A 68 ASN HA H 1 4.80 0.02 A 68 ASN HBy H 1 2.81 0.02 A 68 ASN HBx H 1 2.62 0.02 A 68 ASN HD21 H 1 7.52 0.02 A 68 ASN HD22 H 1 6.90 0.02 A 68 ASN C C 13 175.3 0.3 A 68 ASN CA C 13 52.2 0.3 A 68 ASN CB C 13 39.2 0.3 A 68 ASN N N 15 113.7 0.3 A 68 ASN ND2 N 15 114.3 0.3 A 69 ARG H H 1 6.82 0.02 A 69 ARG HA H 1 3.67 0.02 A 69 ARG HBy H 1 1.74 0.02 A 69 ARG HBx H 1 0.95 0.02 A 69 ARG HD2 H 1 2.97 0.02 A 69 ARG HGy H 1 0.67 0.02 A 69 ARG HGx H 1 0.38 0.02 A 69 ARG C C 13 174.4 0.3 A 69 ARG CA C 13 57.1 0.3 A 69 ARG CB C 13 30.8 0.3 A 69 ARG CG C 13 29.3 0.3 A 69 ARG N N 15 122.2 0.3 A 70 TRP H H 1 8.52 0.02 A 70 TRP HA H 1 5.21 0.02 A 70 TRP HBy H 1 3.55 0.02 A 70 TRP HBx H 1 2.63 0.02 A 70 TRP HD1 H 1 7.47 0.02 A 70 TRP HE1 H 1 10.74 0.02 A 70 TRP HZ2 H 1 7.72 0.02 A 70 TRP C C 13 174.9 0.3 A 70 TRP CA C 13 53.3 0.3 A 70 TRP CB C 13 33.5 0.3 A 70 TRP N N 15 117.9 0.3 A 70 TRP NE1 N 15 132.9 0.3 A 71 PHE H H 1 10.09 0.02 A 71 PHE HA H 1 4.09 0.02 A 71 PHE HBy H 1 2.95 0.02 A 71 PHE HBx H 1 2.60 0.02 A 71 PHE HD1 H 1 7.04 0.02 A 71 PHE HE1 H 1 6.83 0.02 A 71 PHE HZ H 1 6.37 0.02 A 71 PHE C C 13 174.6 0.3 A 71 PHE CA C 13 59.2 0.3 A 71 PHE CB C 13 39.2 0.3 A 71 PHE N N 15 126.8 0.3 A 72 LYS H H 1 7.18 0.02 A 72 LYS HA H 1 4.33 0.02 A 72 LYS HB2 H 1 1.26 0.02 A 72 LYS HDy H 1 1.76 0.02 A 72 LYS HDx H 1 1.62 0.02 A 72 LYS HE2 H 1 3.03 0.02 A 72 LYS HGy H 1 0.92 0.02 A 72 LYS HGx H 1 0.85 0.02 A 72 LYS C C 13 174.5 0.3 A 72 LYS CA C 13 53.6 0.3 A 72 LYS CB C 13 34.9 0.3 A 72 LYS CD C 13 27.9 0.3 A 72 LYS CE C 13 42.0 0.3 A 72 LYS CG C 13 23.8 0.3 A 72 LYS N N 15 125.7 0.3 A 73 HIS H H 1 8.39 0.02 A 73 HIS HA H 1 4.49 0.02 A 73 HIS HB2 H 1 2.99 0.02 A 73 HIS HD2 H 1 6.66 0.02 A 73 HIS HE1 H 1 7.63 0.02 A 73 HIS C C 13 175.3 0.3 A 73 HIS CA C 13 55.9 0.3 A 73 HIS CB C 13 31.3 0.3 A 73 HIS CD2 C 13 122.1 0.3 A 73 HIS CE1 C 13 136.4 0.3 A 73 HIS N N 15 122.5 0.3 A 74 ILE H H 1 8.95 0.02 A 74 ILE HA H 1 4.83 0.02 A 74 ILE HB H 1 1.83 0.02 A 74 ILE HD1% H 1 0.93 0.02 A 74 ILE HG1y H 1 1.71 0.02 A 74 ILE HG1x H 1 1.20 0.02 A 74 ILE HG2% H 1 0.77 0.02 A 74 ILE C C 13 176.5 0.3 A 74 ILE CA C 13 62.1 0.3 A 74 ILE CB C 13 37.6 0.3 A 74 ILE CD1 C 13 13.3 0.3 A 74 ILE CG1 C 13 27.7 0.3 A 74 ILE CG2 C 13 18.5 0.3 A 74 ILE N N 15 129.9 0.3 A 75 MET H H 1 8.72 0.02 A 75 MET HA H 1 4.86 0.02 A 75 MET HBy H 1 2.06 0.02 A 75 MET HBx H 1 1.79 0.02 A 75 MET HG2 H 1 2.35 0.02 A 75 MET C C 13 173.6 0.3 A 75 MET CA C 13 54.8 0.3 A 75 MET CB C 13 36.9 0.3 A 75 MET CG C 13 30.5 0.3 A 75 MET N N 15 128.5 0.3 A 76 THR H H 1 8.20 0.02 A 76 THR HA H 1 5.17 0.02 A 76 THR HB H 1 4.55 0.02 A 76 THR HG2% H 1 1.24 0.02 A 76 THR C C 13 175.9 0.3 A 76 THR CA C 13 60.2 0.3 A 76 THR CB C 13 71.8 0.3 A 76 THR CG2 C 13 21.6 0.3 A 76 THR N N 15 112.2 0.3 A 77 GLY H H 1 8.61 0.02 A 77 GLY HAy H 1 4.04 0.02 A 77 GLY HAx H 1 3.49 0.02 A 77 GLY C C 13 173.0 0.3 A 77 GLY CA C 13 44.7 0.3 A 77 GLY N N 15 105.9 0.3 A 78 GLY H H 1 9.04 0.02 A 78 GLY HAy H 1 4.33 0.02 A 78 GLY HAx H 1 3.32 0.02 A 78 GLY C C 13 174.4 0.3 A 78 GLY CA C 13 43.4 0.3 A 78 GLY N N 15 109.9 0.3 A 79 GLU H H 1 8.76 0.02 A 79 GLU HA H 1 4.24 0.02 A 79 GLU HBy H 1 1.86 0.02 A 79 GLU HBx H 1 1.73 0.02 A 79 GLU HGy H 1 3.04 0.02 A 79 GLU HGx H 1 2.91 0.02 A 79 GLU C C 13 176.1 0.3 A 79 GLU CA C 13 57.9 0.3 A 79 GLU CB C 13 29.5 0.3 A 79 GLU CG C 13 37.65 0.3 A 79 GLU N N 15 123.6 0.3 A 80 HIS H H 1 9.15 0.02 A 80 HIS HA H 1 4.67 0.02 A 80 HIS HBy H 1 2.90 0.02 A 80 HIS HBx H 1 2.72 0.02 A 80 HIS HD2 H 1 7.75 0.02 A 80 HIS HE1 H 1 8.30 0.02 A 80 HIS C C 13 172.2 0.3 A 80 HIS CA C 13 55.2 0.3 A 80 HIS CB C 13 33.7 0.3 A 80 HIS CD2 C 13 119.8 0.3 A 80 HIS CE1 C 13 139.3 0.3 A 80 HIS N N 15 126.6 0.3 A 81 THR H H 1 8.21 0.02 A 81 THR HA H 1 4.99 0.02 A 81 THR HB H 1 3.66 0.02 A 81 THR HG2% H 1 0.76 0.02 A 81 THR C C 13 173.3 0.3 A 81 THR CA C 13 61.6 0.3 A 81 THR CB C 13 69.4 0.3 A 81 THR CG2 C 13 22.0 0.3 A 81 THR N N 15 118.2 0.3 A 82 PHE H H 1 8.99 0.02 A 82 PHE HA H 1 4.96 0.02 A 82 PHE HBy H 1 3.04 0.02 A 82 PHE HBx H 1 2.72 0.02 A 82 PHE HD1 H 1 6.98 0.02 A 82 PHE HE1 H 1 6.85 0.02 A 82 PHE HZ H 1 6.49 0.02 A 82 PHE C C 13 174.3 0.3 A 82 PHE CA C 13 56.8 0.3 A 82 PHE CB C 13 42.0 0.3 A 82 PHE CZ C 13 129.8 0.3 A 82 PHE N N 15 127.9 0.3 A 83 THR H H 1 9.07 0.02 A 83 THR HA H 1 4.73 0.02 A 83 THR HB H 1 3.72 0.02 A 83 THR HG2% H 1 1.10 0.02 A 83 THR C C 13 173.4 0.3 A 83 THR CA C 13 62.4 0.3 A 83 THR CB C 13 70.9 0.3 A 83 THR CG2 C 13 22.3 0.3 A 83 THR N N 15 121.4 0.3 A 84 TRP H H 1 8.16 0.02 A 84 TRP HA H 1 4.52 0.02 A 84 TRP HBy H 1 2.57 0.02 A 84 TRP HBx H 1 2.16 0.02 A 84 TRP HD1 H 1 6.48 0.02 A 84 TRP HE1 H 1 9.96 0.02 A 84 TRP HZ2 H 1 6.98 0.02 A 84 TRP C C 13 173.5 0.3 A 84 TRP CA C 13 56.4 0.3 A 84 TRP CB C 13 31.3 0.3 A 84 TRP N N 15 130.2 0.3 A 84 TRP NE1 N 15 131.3 0.3 A 85 THR H H 1 8.19 0.02 A 85 THR HA H 1 4.20 0.02 A 85 THR HB H 1 3.29 0.02 A 85 THR HG2% H 1 0.15 0.02 A 85 THR C C 13 170.6 0.3 A 85 THR CA C 13 59.8 0.3 A 85 THR CB C 13 69.8 0.3 A 85 THR CG2 C 13 19.5 0.3 A 85 THR N N 15 114.9 0.3 A 86 TYR H H 1 8.31 0.02 A 86 TYR HA H 1 5.12 0.02 A 86 TYR HB2 H 1 2.46 0.02 A 86 TYR HD1 H 1 6.50 0.02 A 86 TYR HE1 H 1 5.60 0.02 A 86 TYR C C 13 176.3 0.3 A 86 TYR CA C 13 57.6 0.3 A 86 TYR CB C 13 42.1 0.3 A 86 TYR N N 15 122.7 0.3 A 87 THR H H 1 8.06 0.02 A 87 THR HA H 1 4.54 0.02 A 87 THR HB H 1 4.32 0.02 A 87 THR HG2% H 1 1.22 0.02 A 87 THR C C 13 176.2 0.3 A 87 THR CA C 13 62.9 0.3 A 87 THR CB C 13 68.2 0.3 A 87 THR CG2 C 13 22.3 0.3 A 87 THR N N 15 115.3 0.3 A 88 ALA H H 1 8.14 0.02 A 88 ALA HA H 1 4.91 0.02 A 88 ALA HB% H 1 1.38 0.02 A 88 ALA C C 13 173.7 0.3 A 88 ALA CA C 13 50.3 0.3 A 88 ALA CB C 13 19.8 0.3 A 88 ALA N N 15 124.5 0.3 A 89 PRO HA H 1 4.25 0.02 A 89 PRO HBy H 1 1.98 0.02 A 89 PRO HBx H 1 1.79 0.02 A 89 PRO HDy H 1 3.30 0.02 A 89 PRO HDx H 1 3.12 0.02 A 89 PRO HGy H 1 1.59 0.02 A 89 PRO HGx H 1 1.50 0.02 A 89 PRO C C 13 173.9 0.3 A 89 PRO CA C 13 61.2 0.3 A 89 PRO CB C 13 29.0 0.3 A 89 PRO CD C 13 50.1 0.3 A 89 PRO CG C 13 25.1 0.3 A 90 HIS H H 1 8.13 0.02 A 90 HIS HA H 1 4.50 0.02 A 90 HIS HBy H 1 3.48 0.02 A 90 HIS HBx H 1 2.91 0.02 A 90 HIS HD2 H 1 7.13 0.02 A 90 HIS HE1 H 1 7.76 0.02 A 90 HIS C C 13 175.0 0.3 A 90 HIS CA C 13 56.1 0.3 A 90 HIS CB C 13 31.8 0.3 A 90 HIS CD2 C 13 123.2 0.3 A 90 HIS CE1 C 13 140.3 0.3 A 90 HIS N N 15 123.3 0.3 A 91 ASN H H 1 9.25 0.02 A 91 ASN HA H 1 4.30 0.02 A 91 ASN HBy H 1 2.91 0.02 A 91 ASN HBx H 1 2.66 0.02 A 91 ASN C C 13 176.2 0.3 A 91 ASN CA C 13 53.9 0.3 A 91 ASN CB C 13 37.3 0.3 A 91 ASN N N 15 125.7 0.3 A 92 THR H H 1 8.42 0.02 A 92 THR HA H 1 4.52 0.02 A 92 THR HB H 1 3.67 0.02 A 92 THR HG2% H 1 -0.09 0.02 A 92 THR C C 13 172.2 0.3 A 92 THR CA C 13 64.9 0.3 A 92 THR CB C 13 72.9 0.3 A 92 THR CG2 C 13 18.2 0.3 A 92 THR N N 15 121.9 0.3 A 93 SER H H 1 8.19 0.02 A 93 SER HA H 1 4.64 0.02 A 93 SER HBy H 1 3.84 0.02 A 93 SER HBx H 1 3.70 0.02 A 93 SER C C 13 173.7 0.3 A 93 SER CA C 13 59.2 0.3 A 93 SER CB C 13 63.8 0.3 A 93 SER N N 15 122.4 0.3 A 94 GLN H H 1 7.08 0.02 A 94 GLN HA H 1 5.04 0.02 A 94 GLN HBy H 1 2.62 0.02 A 94 GLN HBx H 1 1.95 0.02 A 94 GLN HE21 H 1 6.61 0.02 A 94 GLN HE22 H 1 6.43 0.02 A 94 GLN HGy H 1 2.22 0.02 A 94 GLN HGx H 1 1.76 0.02 A 94 GLN C C 13 172.7 0.3 A 94 GLN CA C 13 55.6 0.3 A 94 GLN CB C 13 29.4 0.3 A 94 GLN CG C 13 31.0 0.3 A 94 GLN N N 15 115.3 0.3 A 94 GLN NE2 N 15 109.7 0.3 A 95 TRP H H 1 8.79 0.02 A 95 TRP HA H 1 5.96 0.02 A 95 TRP HBy H 1 3.08 0.02 A 95 TRP HBx H 1 2.88 0.02 A 95 TRP HD1 H 1 7.68 0.02 A 95 TRP HE1 H 1 9.44 0.02 A 95 TRP C C 13 174.8 0.3 A 95 TRP CA C 13 58.0 0.3 A 95 TRP CB C 13 34.0 0.3 A 95 TRP N N 15 120.1 0.3 A 95 TRP NE1 N 15 132.9 0.3 A 96 HIS H H 1 9.62 0.02 A 96 HIS HA H 1 5.44 0.02 A 96 HIS HBy H 1 3.33 0.02 A 96 HIS HBx H 1 2.99 0.02 A 96 HIS HD2 H 1 6.78 0.02 A 96 HIS HE1 H 1 8.39 0.02 A 96 HIS C C 13 172.3 0.3 A 96 HIS CA C 13 54.5 0.3 A 96 HIS CB C 13 32.2 0.3 A 96 HIS CD2 C 13 117.1 0.3 A 96 HIS CE1 C 13 136.0 0.3 A 96 HIS N N 15 120.2 0.3 A 97 TYR H H 1 8.94 0.02 A 97 TYR HA H 1 5.41 0.02 A 97 TYR HBy H 1 2.65 0.02 A 97 TYR HBx H 1 2.28 0.02 A 97 TYR HD1 H 1 6.47 0.02 A 97 TYR HE1 H 1 6.39 0.02 A 97 TYR C C 13 174.0 0.3 A 97 TYR CA C 13 57.7 0.3 A 97 TYR CB C 13 42.4 0.3 A 97 TYR N N 15 120.7 0.3 A 98 TYR H H 1 9.88 0.02 A 98 TYR HA H 1 5.63 0.02 A 98 TYR HBy H 1 3.16 0.02 A 98 TYR HBx H 1 2.80 0.02 A 98 TYR HD1 H 1 6.84 0.02 A 98 TYR HE1 H 1 6.30 0.02 A 98 TYR C C 13 174.3 0.3 A 98 TYR CA C 13 56.2 0.3 A 98 TYR CB C 13 43.6 0.3 A 98 TYR N N 15 122.4 0.3 A 99 ILE H H 1 9.66 0.02 A 99 ILE HA H 1 5.82 0.02 A 99 ILE HB H 1 1.61 0.02 A 99 ILE HD1% H 1 0.73 0.02 A 99 ILE HG12 H 1 1.80 0.02 A 99 ILE HG2% H 1 0.88 0.02 A 99 ILE C C 13 173.3 0.3 A 99 ILE CA C 13 59.2 0.3 A 99 ILE CB C 13 44.2 0.3 A 99 ILE CD1 C 13 15.3 0.3 A 99 ILE CG1 C 13 29.0 0.3 A 99 ILE CG2 C 13 17.2 0.3 A 99 ILE N N 15 121.2 0.3 A 100 THR H H 1 8.01 0.02 A 100 THR HA H 1 4.13 0.02 A 100 THR HB H 1 3.12 0.02 A 100 THR HG2% H 1 -0.30 0.02 A 100 THR C C 13 175.5 0.3 A 100 THR CA C 13 61.6 0.3 A 100 THR CB C 13 71.8 0.3 A 100 THR CG2 C 13 22.6 0.3 A 100 THR N N 15 118.7 0.3 A 101 LYS H H 1 8.51 0.02 A 101 LYS HA H 1 3.96 0.02 A 101 LYS HBy H 1 1.94 0.02 A 101 LYS HBx H 1 1.70 0.02 A 101 LYS HDy H 1 1.74 0.02 A 101 LYS HDx H 1 1.49 0.02 A 101 LYS HE2 H 1 3.03 0.02 A 101 LYS HGy H 1 1.24 0.02 A 101 LYS HGx H 1 0.89 0.02 A 101 LYS C C 13 175.3 0.3 A 101 LYS CA C 13 56.1 0.3 A 101 LYS CB C 13 34.1 0.3 A 101 LYS CD C 13 28.9 0.3 A 101 LYS CE C 13 41.9 0.3 A 101 LYS CG C 13 24.9 0.3 A 101 LYS N N 15 121.8 0.3 A 102 LYS H H 1 8.64 0.02 A 102 LYS HA H 1 4.44 0.02 A 102 LYS HBy H 1 1.87 0.02 A 102 LYS HBx H 1 1.58 0.02 A 102 LYS HD2 H 1 1.74 0.02 A 102 LYS HEy H 1 3.14 0.02 A 102 LYS HEx H 1 3.04 0.02 A 102 LYS HG2 H 1 1.48 0.02 A 102 LYS C C 13 178.6 0.3 A 102 LYS CA C 13 58.1 0.3 A 102 LYS CB C 13 32.4 0.3 A 102 LYS CD C 13 29.1 0.3 A 102 LYS CE C 13 41.8 0.3 A 102 LYS CG C 13 25.1 0.3 A 102 LYS N N 15 121.6 0.3 A 103 GLY H H 1 10.24 0.02 A 103 GLY HAy H 1 4.32 0.02 A 103 GLY HAx H 1 3.83 0.02 A 103 GLY C C 13 174.8 0.3 A 103 GLY CA C 13 45.0 0.3 A 103 GLY N N 15 117.5 0.3 A 104 TRP H H 1 8.25 0.02 A 104 TRP HA H 1 4.42 0.02 A 104 TRP HBy H 1 3.46 0.02 A 104 TRP HBx H 1 3.33 0.02 A 104 TRP HD1 H 1 7.31 0.02 A 104 TRP HE1 H 1 9.50 0.02 A 104 TRP HZ2 H 1 7.58 0.02 A 104 TRP C C 13 171.7 0.3 A 104 TRP CA C 13 57.6 0.3 A 104 TRP CB C 13 25.7 0.3 A 104 TRP N N 15 122.9 0.3 A 104 TRP NE1 N 15 132.4 0.3 A 105 ASP H H 1 8.83 0.02 A 105 ASP HA H 1 4.61 0.02 A 105 ASP HBy H 1 2.89 0.02 A 105 ASP HBx H 1 2.41 0.02 A 105 ASP C C 13 173.3 0.3 A 105 ASP CA C 13 50.1 0.3 A 105 ASP CB C 13 42.1 0.3 A 105 ASP N N 15 122.1 0.3 A 106 PRO HA H 1 3.43 0.02 A 106 PRO HBy H 1 1.50 0.02 A 106 PRO HBx H 1 1.42 0.02 A 106 PRO HDy H 1 3.23 0.02 A 106 PRO HDx H 1 3.13 0.02 A 106 PRO HG2 H 1 1.08 0.02 A 106 PRO C C 13 175.4 0.3 A 106 PRO CA C 13 62.4 0.3 A 106 PRO CB C 13 33.3 0.3 A 106 PRO CD C 13 50.0 0.3 A 106 PRO CG C 13 26.0 0.3 A 107 ASP H H 1 8.07 0.02 A 107 ASP HA H 1 5.06 0.02 A 107 ASP HBy H 1 3.03 0.02 A 107 ASP HBx H 1 2.57 0.02 A 107 ASP C C 13 174.9 0.3 A 107 ASP CA C 13 53.8 0.3 A 107 ASP CB C 13 41.9 0.3 A 107 ASP N N 15 116.4 0.3 A 108 LYS H H 1 7.50 0.02 A 108 LYS HA H 1 4.96 0.02 A 108 LYS HBy H 1 1.96 0.02 A 108 LYS HBx H 1 1.78 0.02 A 108 LYS HD2 H 1 1.74 0.02 A 108 LYS HE2 H 1 3.04 0.02 A 108 LYS HG2 H 1 1.49 0.02 A 108 LYS C C 13 172.7 0.3 A 108 LYS CA C 13 53.3 0.3 A 108 LYS CB C 13 34.1 0.3 A 108 LYS CD C 13 29.3 0.3 A 108 LYS CE C 13 42.0 0.3 A 108 LYS CG C 13 25.0 0.3 A 108 LYS N N 15 122.1 0.3 A 109 PRO HA H 1 4.46 0.02 A 109 PRO HBy H 1 2.55 0.02 A 109 PRO HBx H 1 2.18 0.02 A 109 PRO HDy H 1 3.47 0.02 A 109 PRO HDx H 1 3.38 0.02 A 109 PRO HG2 H 1 1.82 0.02 A 109 PRO C C 13 176.6 0.3 A 109 PRO CA C 13 62.5 0.3 A 109 PRO CB C 13 32.9 0.3 A 109 PRO CD C 13 42.7 0.3 A 109 PRO CG C 13 29.0 0.3 A 110 LEU H H 1 8.71 0.02 A 110 LEU HA H 1 4.66 0.02 A 110 LEU HB2 H 1 1.53 0.02 A 110 LEU HD1% H 1 1.14 0.02 A 110 LEU HD2% H 1 1.08 0.02 A 110 LEU HG H 1 1.61 0.02 A 110 LEU C C 13 175.7 0.3 A 110 LEU CA C 13 55.2 0.3 A 110 LEU CB C 13 43.0 0.3 A 110 LEU CD1 C 13 24.5 0.3 A 110 LEU CD2 C 13 23.7 0.3 A 110 LEU CG C 13 27.1 0.3 A 110 LEU N N 15 121.9 0.3 A 111 LYS H H 1 9.01 0.02 A 111 LYS HA H 1 4.72 0.02 A 111 LYS HB2 H 1 1.83 0.02 A 111 LYS HD2 H 1 1.57 0.02 A 111 LYS HEy H 1 2.82 0.02 A 111 LYS HEx H 1 2.63 0.02 A 111 LYS HG2 H 1 1.04 0.02 A 111 LYS C C 13 176.7 0.3 A 111 LYS CA C 13 53.9 0.3 A 111 LYS CB C 13 34.5 0.3 A 111 LYS CD C 13 29.0 0.3 A 111 LYS CE C 13 39.7 0.3 A 111 LYS N N 15 121.2 0.3 A 112 ARG H H 1 9.55 0.02 A 112 ARG HA H 1 3.98 0.02 A 112 ARG HBy H 1 1.97 0.02 A 112 ARG HBx H 1 1.77 0.02 A 112 ARG HD2 H 1 3.09 0.02 A 112 ARG HGy H 1 0.93 0.02 A 112 ARG HGx H 1 0.71 0.02 A 112 ARG C C 13 178.7 0.3 A 112 ARG CA C 13 60.8 0.3 A 112 ARG CB C 13 29.2 0.3 A 112 ARG N N 15 124.0 0.3 A 113 ALA H H 1 8.81 0.02 A 113 ALA HA H 1 4.25 0.02 A 113 ALA HB% H 1 1.42 0.02 A 113 ALA C C 13 177.6 0.3 A 113 ALA CA C 13 53.9 0.3 A 113 ALA CB C 13 18.6 0.3 A 113 ALA N N 15 119.9 0.3 A 114 ASP H H 1 7.76 0.02 A 114 ASP HA H 1 4.69 0.02 A 114 ASP HBy H 1 2.73 0.02 A 114 ASP HBx H 1 2.54 0.02 A 114 ASP C C 13 174.9 0.3 A 114 ASP CA C 13 55.0 0.3 A 114 ASP CB C 13 41.5 0.3 A 114 ASP N N 15 115.6 0.3 A 115 PHE H H 1 7.76 0.02 A 115 PHE HA H 1 4.92 0.02 A 115 PHE HB2 H 1 3.02 0.02 A 115 PHE HD1 H 1 7.00 0.02 A 115 PHE HE1 H 1 6.71 0.02 A 115 PHE HZ H 1 6.25 0.02 A 115 PHE C C 13 175.2 0.3 A 115 PHE CA C 13 59.7 0.3 A 115 PHE CB C 13 41.5 0.3 A 115 PHE N N 15 118.4 0.3 A 116 GLU H H 1 9.47 0.02 A 116 GLU HA H 1 5.06 0.02 A 116 GLU HBy H 1 2.29 0.02 A 116 GLU HBx H 1 1.99 0.02 A 116 GLU HGy H 1 2.13 0.02 A 116 GLU HGx H 1 1.83 0.02 A 116 GLU C C 13 175.1 0.3 A 116 GLU CA C 13 53.8 0.3 A 116 GLU CB C 13 33.0 0.3 A 116 GLU CG C 13 35.7 0.3 A 116 GLU N N 15 121.5 0.3 A 117 LEU H H 1 9.08 0.02 A 117 LEU HA H 1 4.14 0.02 A 117 LEU HBy H 1 1.88 0.02 A 117 LEU HBx H 1 1.59 0.02 A 117 LEU HD1% H 1 0.77 0.02 A 117 LEU HD2% H 1 0.67 0.02 A 117 LEU HG H 1 0.93 0.02 A 117 LEU C C 13 177.4 0.3 A 117 LEU CA C 13 56.9 0.3 A 117 LEU CB C 13 42.4 0.3 A 117 LEU CD1 C 13 21.6 0.3 A 117 LEU CD2 C 13 23.0 0.3 A 117 LEU CG C 13 25.9 0.3 A 117 LEU N N 15 128.0 0.3 A 118 ILE H H 1 9.49 0.02 A 118 ILE HA H 1 4.86 0.02 A 118 ILE HB H 1 2.36 0.02 A 118 ILE HG1y H 1 0.76 0.02 A 118 ILE HG1x H 1 0.23 0.02 A 118 ILE HG2% H 1 1.03 0.02 A 118 ILE C C 13 176.2 0.3 A 118 ILE CA C 13 61.3 0.3 A 118 ILE CB C 13 40.1 0.3 A 118 ILE CG2 C 13 19.0 0.3 A 118 ILE N N 15 121.5 0.3 A 119 GLY H H 1 7.65 0.02 A 119 GLY HAy H 1 4.31 0.02 A 119 GLY HAx H 1 3.94 0.02 A 119 GLY C C 13 169.4 0.3 A 119 GLY CA C 13 47.3 0.3 A 119 GLY N N 15 110.4 0.3 A 120 ALA H H 1 8.76 0.02 A 120 ALA HA H 1 5.18 0.02 A 120 ALA HB% H 1 1.49 0.02 A 120 ALA C C 13 175.5 0.3 A 120 ALA CA C 13 51.5 0.3 A 120 ALA CB C 13 21.6 0.3 A 120 ALA N N 15 126.9 0.3 A 121 VAL H H 1 9.40 0.02 A 121 VAL HA H 1 4.63 0.02 A 121 VAL HB H 1 2.29 0.02 A 121 VAL HG1% H 1 1.10 0.02 A 121 VAL HG2% H 1 0.68 0.02 A 121 VAL C C 13 172.8 0.3 A 121 VAL CA C 13 59.0 0.3 A 121 VAL CB C 13 33.3 0.3 A 121 VAL CG1 C 13 22.5 0.3 A 121 VAL CG2 C 13 20.3 0.3 A 121 VAL N N 15 125.4 0.3 A 122 PRO HA H 1 4.73 0.02 A 122 PRO HBy H 1 2.56 0.02 A 122 PRO HBx H 1 2.08 0.02 A 122 PRO HDy H 1 3.98 0.02 A 122 PRO HDx H 1 3.63 0.02 A 122 PRO HG2 H 1 1.84 0.02 A 122 PRO C C 13 175.6 0.3 A 122 PRO CA C 13 62.2 0.3 A 122 PRO CB C 13 32.8 0.3 A 122 PRO CD C 13 50.3 0.3 A 122 PRO CG C 13 28.2 0.3 A 123 HIS H H 1 8.33 0.02 A 123 HIS HA H 1 5.21 0.02 A 123 HIS HBy H 1 2.92 0.02 A 123 HIS HBx H 1 2.80 0.02 A 123 HIS HD2 H 1 7.02 0.02 A 123 HIS HE1 H 1 8.41 0.02 A 123 HIS C C 13 174.6 0.3 A 123 HIS CA C 13 54.3 0.3 A 123 HIS CB C 13 34.9 0.3 A 123 HIS CD2 C 13 117.5 0.3 A 123 HIS CE1 C 13 137.3 0.3 A 123 HIS N N 15 125.5 0.3 A 124 ASP H H 1 7.12 0.02 A 124 ASP HA H 1 4.79 0.02 A 124 ASP HBy H 1 3.02 0.02 A 124 ASP HBx H 1 2.38 0.02 A 124 ASP C C 13 177.1 0.3 A 124 ASP CA C 13 52.9 0.3 A 124 ASP CB C 13 41.1 0.3 A 124 ASP N N 15 121.3 0.3 A 125 GLY H H 1 7.91 0.02 A 125 GLY HAy H 1 4.22 0.02 A 125 GLY HAx H 1 3.35 0.02 A 125 GLY C C 13 174.3 0.3 A 125 GLY CA C 13 45.6 0.3 A 125 GLY N N 15 108.8 0.3 A 126 SER H H 1 8.18 0.02 A 126 SER HA H 1 4.28 0.02 A 126 SER HB2 H 1 3.96 0.02 A 126 SER CA C 13 57.5 0.3 A 126 SER CB C 13 62.4 0.3 A 126 SER N N 15 109.7 0.3 A 127 PRO HA H 1 4.17 0.02 A 127 PRO HBy H 1 2.65 0.02 A 127 PRO HBx H 1 1.84 0.02 A 127 PRO HDy H 1 3.99 0.02 A 127 PRO HDx H 1 3.84 0.02 A 127 PRO HGy H 1 2.20 0.02 A 127 PRO HGx H 1 2.13 0.02 A 127 PRO C C 13 177.4 0.3 A 127 PRO CA C 13 65.6 0.3 A 127 PRO CB C 13 33.1 0.3 A 127 PRO CD C 13 51.1 0.3 A 127 PRO CG C 13 27.6 0.3 A 128 ALA H H 1 6.88 0.02 A 128 ALA HA H 1 3.53 0.02 A 128 ALA HB% H 1 0.38 0.02 A 128 ALA C C 13 176.3 0.3 A 128 ALA CA C 13 54.5 0.3 A 128 ALA CB C 13 18.9 0.3 A 128 ALA N N 15 126.4 0.3 A 129 SER H H 1 6.52 0.02 A 129 SER HA H 1 3.95 0.02 A 129 SER HB2 H 1 3.67 0.02 A 129 SER C C 13 174.5 0.3 A 129 SER CA C 13 58.1 0.3 A 129 SER CB C 13 62.6 0.3 A 129 SER N N 15 103.6 0.3 A 130 ARG H H 1 7.68 0.02 A 130 ARG HA H 1 4.34 0.02 A 130 ARG HBy H 1 2.22 0.02 A 130 ARG HBx H 1 1.97 0.02 A 130 ARG HDy H 1 3.48 0.02 A 130 ARG HDx H 1 3.40 0.02 A 130 ARG HGy H 1 1.99 0.02 A 130 ARG HGx H 1 1.78 0.02 A 130 ARG C C 13 176.1 0.3 A 130 ARG CA C 13 57.4 0.3 A 130 ARG CB C 13 30.6 0.3 A 130 ARG CD C 13 42.8 0.3 A 130 ARG CG C 13 28.1 0.3 A 130 ARG N N 15 120.3 0.3 A 131 ASN H H 1 7.65 0.02 A 131 ASN HA H 1 4.93 0.02 A 131 ASN HBy H 1 3.03 0.02 A 131 ASN HBx H 1 2.77 0.02 A 131 ASN C C 13 173.7 0.3 A 131 ASN CA C 13 52.4 0.3 A 131 ASN CB C 13 37.6 0.3 A 131 ASN N N 15 117.3 0.3 A 132 LEU H H 1 8.68 0.02 A 132 LEU HA H 1 4.05 0.02 A 132 LEU HBy H 1 1.78 0.02 A 132 LEU HBx H 1 1.60 0.02 A 132 LEU HD1% H 1 0.53 0.02 A 132 LEU HD2% H 1 0.35 0.02 A 132 LEU HG H 1 1.00 0.02 A 132 LEU C C 13 177.4 0.3 A 132 LEU CA C 13 58.2 0.3 A 132 LEU CB C 13 44.5 0.3 A 132 LEU CD1 C 13 21.8 0.3 A 132 LEU CD2 C 13 24.5 0.3 A 132 LEU CG C 13 28.9 0.3 A 132 LEU N N 15 124.4 0.3 A 133 SER H H 1 7.65 0.02 A 133 SER HA H 1 5.14 0.02 A 133 SER HBy H 1 3.48 0.02 A 133 SER HBx H 1 3.33 0.02 A 133 SER C C 13 171.9 0.3 A 133 SER CA C 13 56.9 0.3 A 133 SER CB C 13 65.0 0.3 A 133 SER N N 15 113.5 0.3 A 134 HIS H H 1 8.76 0.02 A 134 HIS HA H 1 4.90 0.02 A 134 HIS HBy H 1 2.83 0.02 A 134 HIS HBx H 1 2.62 0.02 A 134 HIS HD2 H 1 6.91 0.02 A 134 HIS HE1 H 1 7.78 0.02 A 134 HIS C C 13 174.5 0.3 A 134 HIS CA C 13 52.4 0.3 A 134 HIS CB C 13 34.1 0.3 A 134 HIS CD2 C 13 122.0 0.3 A 134 HIS CE1 C 13 137.5 0.3 A 134 HIS N N 15 125.0 0.3 A 135 HIS H H 1 9.25 0.02 A 135 HIS HA H 1 5.12 0.02 A 135 HIS HBy H 1 3.19 0.02 A 135 HIS HBx H 1 3.01 0.02 A 135 HIS HD2 H 1 6.99 0.02 A 135 HIS HE1 H 1 7.72 0.02 A 135 HIS C C 13 172.6 0.3 A 135 HIS CA C 13 54.7 0.3 A 135 HIS CB C 13 28.6 0.3 A 135 HIS CD2 C 13 118.1 0.3 A 135 HIS CE1 C 13 140.4 0.3 A 135 HIS N N 15 123.9 0.3 A 136 ILE H H 1 8.85 0.02 A 136 ILE HA H 1 4.46 0.02 A 136 ILE HB H 1 1.73 0.02 A 136 ILE HD1% H 1 0.19 0.02 A 136 ILE HG1y H 1 0.86 0.02 A 136 ILE HG1x H 1 -0.37 0.02 A 136 ILE HG2% H 1 0.37 0.02 A 136 ILE C C 13 173.7 0.3 A 136 ILE CA C 13 56.9 0.3 A 136 ILE CB C 13 39.7 0.3 A 136 ILE CD1 C 13 9.9 0.3 A 136 ILE CG1 C 13 24.7 0.3 A 136 ILE CG2 C 13 16.6 0.3 A 136 ILE N N 15 127.4 0.3 A 137 TYR H H 1 9.11 0.02 A 137 TYR HA H 1 4.11 0.02 A 137 TYR HBy H 1 3.11 0.02 A 137 TYR HBx H 1 2.92 0.02 A 137 TYR HD1 H 1 7.04 0.02 A 137 TYR HE1 H 1 6.87 0.02 A 137 TYR C C 13 173.4 0.3 A 137 TYR CA C 13 58.3 0.3 A 137 TYR CB C 13 38.0 0.3 A 137 TYR N N 15 129.4 0.3 A 138 ILE H H 1 7.95 0.02 A 138 ILE HA H 1 4.29 0.02 A 138 ILE HB H 1 2.21 0.02 A 138 ILE HD1% H 1 0.82 0.02 A 138 ILE HG1y H 1 1.73 0.02 A 138 ILE HG1x H 1 1.43 0.02 A 138 ILE HG2% H 1 0.97 0.02 A 138 ILE C C 13 173.5 0.3 A 138 ILE CA C 13 57.5 0.3 A 138 ILE CB C 13 37.5 0.3 A 138 ILE CD1 C 13 12.6 0.3 A 138 ILE CG1 C 13 31.0 0.3 A 138 ILE CG2 C 13 16.8 0.3 A 138 ILE N N 15 131.2 0.3 A 139 PRO HA H 1 4.27 0.02 A 139 PRO HBy H 1 1.98 0.02 A 139 PRO HBx H 1 1.86 0.02 A 139 PRO HD2 H 1 3.47 0.02 A 139 PRO HGy H 1 1.74 0.02 A 139 PRO HGx H 1 1.50 0.02 A 139 PRO C C 13 176.8 0.3 A 139 PRO CA C 13 64.0 0.3 A 139 PRO CB C 13 33.1 0.3 A 139 PRO CD C 13 51.5 0.3 A 139 PRO CG C 13 25.0 0.3 A 140 GLU H H 1 8.50 0.02 A 140 GLU HA H 1 4.59 0.02 A 140 GLU HBy H 1 2.58 0.02 A 140 GLU HBx H 1 1.85 0.02 A 140 GLU HGy H 1 2.34 0.02 A 140 GLU HGx H 1 2.08 0.02 A 140 GLU C C 13 175.3 0.3 A 140 GLU CA C 13 56.2 0.3 A 140 GLU CB C 13 30.6 0.3 A 140 GLU CG C 13 37.4 0.3 A 140 GLU N N 15 120.5 0.3 A 141 ASP H H 1 8.01 0.02 A 141 ASP HA H 1 4.61 0.02 A 141 ASP HBy H 1 3.16 0.02 A 141 ASP HBx H 1 2.59 0.02 A 141 ASP C C 13 174.4 0.3 A 141 ASP CA C 13 52.9 0.3 A 141 ASP CB C 13 41.2 0.3 A 141 ASP N N 15 119.5 0.3 A 142 ARG H H 1 7.26 0.02 A 142 ARG HA H 1 4.85 0.02 A 142 ARG HBy H 1 2.04 0.02 A 142 ARG HBx H 1 1.57 0.02 A 142 ARG HDy H 1 2.89 0.02 A 142 ARG HDx H 1 2.78 0.02 A 142 ARG HG2 H 1 1.24 0.02 A 142 ARG C C 13 171.4 0.3 A 142 ARG CA C 13 53.8 0.3 A 142 ARG CB C 13 31.7 0.3 A 142 ARG CD C 13 41.3 0.3 A 142 ARG CG C 13 25.0 0.3 A 142 ARG N N 15 114.9 0.3 A 143 LEU H H 1 8.72 0.02 A 143 LEU HA H 1 4.85 0.02 A 143 LEU HBy H 1 1.74 0.02 A 143 LEU HBx H 1 1.62 0.02 A 143 LEU HD1% H 1 0.93 0.02 A 143 LEU HD2% H 1 0.77 0.02 A 143 LEU HG H 1 1.48 0.02 A 143 LEU C C 13 177.1 0.3 A 143 LEU CA C 13 53.6 0.3 A 143 LEU CB C 13 46.0 0.3 A 143 LEU CD1 C 13 21.6 0.3 A 143 LEU CD2 C 13 21.4 0.3 A 143 LEU CG C 13 27.4 0.3 A 143 LEU N N 15 123.7 0.3 A 144 GLY H H 1 10.03 0.02 A 144 GLY HAy H 1 4.59 0.02 A 144 GLY HAx H 1 4.32 0.02 A 144 GLY C C 13 178.3 0.3 A 144 GLY CA C 13 44.2 0.3 A 144 GLY N N 15 110.7 0.3 A 145 TYR H H 1 9.27 0.02 A 145 TYR HA H 1 6.07 0.02 A 145 TYR HBy H 1 3.34 0.02 A 145 TYR HBx H 1 3.11 0.02 A 145 TYR HD1 H 1 7.62 0.02 A 145 TYR HE1 H 1 7.20 0.02 A 145 TYR C C 13 176.0 0.3 A 145 TYR CA C 13 55.8 0.3 A 145 TYR CB C 13 37.4 0.3 A 145 TYR N N 15 126.6 0.3 A 146 HIS H H 1 9.95 0.02 A 146 HIS HA H 1 4.11 0.02 A 146 HIS HBy H 1 2.91 0.02 A 146 HIS HBx H 1 2.40 0.02 A 146 HIS HD2 H 1 6.91 0.02 A 146 HIS HE1 H 1 8.25 0.02 A 146 HIS C C 13 170.0 0.3 A 146 HIS CA C 13 57.7 0.3 A 146 HIS CB C 13 33.0 0.3 A 146 HIS CD2 C 13 118.7 0.3 A 146 HIS CE1 C 13 136.3 0.3 A 146 HIS N N 15 130.6 0.3 A 147 VAL H H 1 7.06 0.02 A 147 VAL HA H 1 4.99 0.02 A 147 VAL HB H 1 1.28 0.02 A 147 VAL HG1% H 1 0.88 0.02 A 147 VAL HG2% H 1 0.73 0.02 A 147 VAL C C 13 175.2 0.3 A 147 VAL CA C 13 61.3 0.3 A 147 VAL CB C 13 34.2 0.3 A 147 VAL CG1 C 13 21.7 0.3 A 147 VAL CG2 C 13 21.2 0.3 A 147 VAL N N 15 120.5 0.3 A 148 ILE H H 1 9.44 0.02 A 148 ILE HA H 1 5.24 0.02 A 148 ILE HB H 1 1.76 0.02 A 148 ILE HD1% H 1 0.37 0.02 A 148 ILE HG12 H 1 0.61 0.02 A 148 ILE HG2% H 1 0.92 0.02 A 148 ILE C C 13 174.0 0.3 A 148 ILE CA C 13 59.2 0.3 A 148 ILE CB C 13 40.9 0.3 A 148 ILE CD1 C 13 16.8 0.3 A 148 ILE CG1 C 13 29.3 0.3 A 148 ILE CG2 C 13 15.4 0.3 A 148 ILE N N 15 128.1 0.3 A 149 LEU H H 1 9.00 0.02 A 149 LEU HA H 1 4.92 0.02 A 149 LEU HBy H 1 1.03 0.02 A 149 LEU HBx H 1 0.56 0.02 A 149 LEU HD1% H 1 0.40 0.02 A 149 LEU HD2% H 1 -0.78 0.02 A 149 LEU HG H 1 0.80 0.02 A 149 LEU C C 13 172.6 0.3 A 149 LEU CA C 13 52.8 0.3 A 149 LEU CB C 13 45.8 0.3 A 149 LEU CD1 C 13 23.0 0.3 A 149 LEU CD2 C 13 25.8 0.3 A 149 LEU CG C 13 27.2 0.3 A 149 LEU N N 15 129.7 0.3 A 150 ALA H H 1 9.01 0.02 A 150 ALA HA H 1 4.90 0.02 A 150 ALA HB% H 1 1.14 0.02 A 150 ALA C C 13 174.7 0.3 A 150 ALA CA C 13 49.8 0.3 A 150 ALA CB C 13 25.1 0.3 A 150 ALA N N 15 132.3 0.3 A 151 VAL H H 1 9.11 0.02 A 151 VAL HA H 1 4.78 0.02 A 151 VAL HB H 1 1.02 0.02 A 151 VAL HG1% H 1 0.38 0.02 A 151 VAL HG2% H 1 0.30 0.02 A 151 VAL C C 13 174.5 0.3 A 151 VAL CA C 13 60.6 0.3 A 151 VAL CB C 13 33.1 0.3 A 151 VAL CG1 C 13 23.1 0.3 A 151 VAL CG2 C 13 21.8 0.3 A 151 VAL N N 15 123.8 0.3 A 152 TRP H H 1 8.95 0.02 A 152 TRP HA H 1 5.07 0.02 A 152 TRP HBy H 1 3.27 0.02 A 152 TRP HBx H 1 2.69 0.02 A 152 TRP HD1 H 1 7.05 0.02 A 152 TRP HE1 H 1 10.47 0.02 A 152 TRP C C 13 173.3 0.3 A 152 TRP CA C 13 53.8 0.3 A 152 TRP CB C 13 32.7 0.3 A 152 TRP N N 15 131.2 0.3 A 152 TRP NE1 N 15 131.8 0.3 A 153 ASP H H 1 8.52 0.02 A 153 ASP HA H 1 4.72 0.02 A 153 ASP HBy H 1 2.93 0.02 A 153 ASP HBx H 1 2.28 0.02 A 153 ASP C C 13 174.1 0.3 A 153 ASP CA C 13 53.5 0.3 A 153 ASP CB C 13 41.4 0.3 A 153 ASP N N 15 128.1 0.3 A 154 VAL H H 1 7.53 0.02 A 154 VAL HA H 1 3.76 0.02 A 154 VAL HB H 1 1.98 0.02 A 154 VAL HG1% H 1 0.80 0.02 A 154 VAL HG2% H 1 0.23 0.02 A 154 VAL C C 13 175.7 0.3 A 154 VAL CA C 13 62.6 0.3 A 154 VAL CB C 13 30.6 0.3 A 154 VAL CG1 C 13 22.3 0.3 A 154 VAL CG2 C 13 20.9 0.3 A 154 VAL N N 15 125.8 0.3 A 155 ALA H H 1 8.69 0.02 A 155 ALA HA H 1 4.11 0.02 A 155 ALA HB% H 1 1.08 0.02 A 155 ALA C C 13 178.1 0.3 A 155 ALA CA C 13 53.7 0.3 A 155 ALA CB C 13 19.5 0.3 A 155 ALA N N 15 127.7 0.3 A 156 ASP H H 1 8.43 0.02 A 156 ASP HA H 1 4.52 0.02 A 156 ASP HBy H 1 2.93 0.02 A 156 ASP HBx H 1 2.72 0.02 A 156 ASP C C 13 175.0 0.3 A 156 ASP CA C 13 54.2 0.3 A 156 ASP CB C 13 39.5 0.3 A 156 ASP N N 15 114.7 0.3 A 157 THR H H 1 7.28 0.02 A 157 THR HA H 1 4.64 0.02 A 157 THR HB H 1 4.31 0.02 A 157 THR HG2% H 1 1.09 0.02 A 157 THR C C 13 173.0 0.3 A 157 THR CA C 13 59.6 0.3 A 157 THR CB C 13 72.1 0.3 A 157 THR CG2 C 13 21.4 0.3 A 157 THR N N 15 109.8 0.3 A 158 GLU H H 1 8.38 0.02 A 158 GLU HA H 1 4.38 0.02 A 158 GLU HBy H 1 2.34 0.02 A 158 GLU HBx H 1 1.81 0.02 A 158 GLU HGy H 1 2.09 0.02 A 158 GLU HGx H 1 1.87 0.02 A 158 GLU C C 13 175.9 0.3 A 158 GLU CA C 13 55.5 0.3 A 158 GLU CB C 13 29.0 0.3 A 158 GLU CG C 13 35.9 0.3 A 158 GLU N N 15 117.7 0.3 A 159 ASN H H 1 7.82 0.02 A 159 ASN HA H 1 5.41 0.02 A 159 ASN HBy H 1 2.60 0.02 A 159 ASN HBx H 1 2.30 0.02 A 159 ASN HD21 H 1 8.27 0.02 A 159 ASN HD22 H 1 7.40 0.02 A 159 ASN C C 13 172.1 0.3 A 159 ASN CA C 13 53.5 0.3 A 159 ASN CB C 13 42.8 0.3 A 159 ASN N N 15 119.4 0.3 A 159 ASN ND2 N 15 121.9 0.3 A 160 ALA H H 1 8.82 0.02 A 160 ALA HA H 1 5.15 0.02 A 160 ALA HB% H 1 1.15 0.02 A 160 ALA C C 13 174.4 0.3 A 160 ALA CA C 13 50.5 0.3 A 160 ALA CB C 13 24.8 0.3 A 160 ALA N N 15 120.6 0.3 A 161 PHE H H 1 9.09 0.02 A 161 PHE HA H 1 5.79 0.02 A 161 PHE HBy H 1 3.64 0.02 A 161 PHE HBx H 1 3.20 0.02 A 161 PHE HD1 H 1 7.17 0.02 A 161 PHE C C 13 175.6 0.3 A 161 PHE CA C 13 56.2 0.3 A 161 PHE CB C 13 43.0 0.3 A 161 PHE N N 15 118.7 0.3 A 162 TYR H H 1 8.35 0.02 A 162 TYR HA H 1 4.64 0.02 A 162 TYR HBy H 1 2.83 0.02 A 162 TYR HBx H 1 2.66 0.02 A 162 TYR HD1 H 1 7.21 0.02 A 162 TYR HE1 H 1 6.70 0.02 A 162 TYR C C 13 175.7 0.3 A 162 TYR CA C 13 59.0 0.3 A 162 TYR CB C 13 41.1 0.3 A 162 TYR N N 15 120.9 0.3 A 163 GLN H H 1 9.34 0.02 A 163 GLN HA H 1 4.60 0.02 A 163 GLN HBy H 1 1.81 0.02 A 163 GLN HBx H 1 1.63 0.02 A 163 GLN HE21 H 1 7.72 0.02 A 163 GLN HE22 H 1 6.92 0.02 A 163 GLN HGy H 1 1.75 0.02 A 163 GLN HGx H 1 1.49 0.02 A 163 GLN C C 13 174.2 0.3 A 163 GLN CA C 13 53.0 0.3 A 163 GLN CB C 13 33.1 0.3 A 163 GLN CG C 13 36.2 0.3 A 163 GLN N N 15 124.0 0.3 A 163 GLN NE2 N 15 114.0 0.3 A 164 VAL H H 1 7.93 0.02 A 164 VAL HA H 1 5.56 0.02 A 164 VAL HB H 1 1.95 0.02 A 164 VAL HG1% H 1 1.09 0.02 A 164 VAL HG2% H 1 0.84 0.02 A 164 VAL C C 13 175.6 0.3 A 164 VAL CA C 13 60.2 0.3 A 164 VAL CB C 13 33.5 0.3 A 164 VAL CG1 C 13 22.3 0.3 A 164 VAL CG2 C 13 18.6 0.3 A 164 VAL N N 15 117.9 0.3 A 165 ILE H H 1 9.79 0.02 A 165 ILE HA H 1 4.54 0.02 A 165 ILE HB H 1 1.87 0.02 A 165 ILE HD1% H 1 0.95 0.02 A 165 ILE HG1y H 1 1.80 0.02 A 165 ILE HG1x H 1 1.49 0.02 A 165 ILE HG2% H 1 0.82 0.02 A 165 ILE C C 13 173.8 0.3 A 165 ILE CA C 13 60.9 0.3 A 165 ILE CB C 13 42.5 0.3 A 165 ILE CD1 C 13 15.5 0.3 A 165 ILE CG1 C 13 26.8 0.3 A 165 ILE CG2 C 13 17.9 0.3 A 165 ILE N N 15 126.4 0.3 A 166 ASP H H 1 9.22 0.02 A 166 ASP HA H 1 5.44 0.02 A 166 ASP HB2 H 1 2.58 0.02 A 166 ASP C C 13 174.9 0.3 A 166 ASP CA C 13 55.5 0.3 A 166 ASP CB C 13 44.1 0.3 A 166 ASP N N 15 129.3 0.3 A 167 VAL H H 1 9.46 0.02 A 167 VAL HA H 1 5.55 0.02 A 167 VAL HB H 1 2.24 0.02 A 167 VAL HG1% H 1 1.08 0.02 A 167 VAL HG2% H 1 0.97 0.02 A 167 VAL C C 13 172.7 0.3 A 167 VAL CA C 13 59.2 0.3 A 167 VAL CB C 13 36.0 0.3 A 167 VAL CG1 C 13 22.5 0.3 A 167 VAL CG2 C 13 19.2 0.3 A 167 VAL N N 15 117.3 0.3 A 168 ASP H H 1 9.11 0.02 A 168 ASP HA H 1 4.92 0.02 A 168 ASP HBy H 1 2.71 0.02 A 168 ASP HBx H 1 2.09 0.02 A 168 ASP C C 13 174.5 0.3 A 168 ASP CA C 13 52.1 0.3 A 168 ASP CB C 13 41.2 0.3 A 168 ASP N N 15 126.0 0.3 A 169 LEU H H 1 8.25 0.02 A 169 LEU HA H 1 5.43 0.02 A 169 LEU HBy H 1 2.19 0.02 A 169 LEU HBx H 1 1.56 0.02 A 169 LEU HD1% H 1 0.72 0.02 A 169 LEU HD2% H 1 0.63 0.02 A 169 LEU HG H 1 1.77 0.02 A 169 LEU C C 13 177.7 0.3 A 169 LEU CA C 13 54.1 0.3 A 169 LEU CB C 13 42.0 0.3 A 169 LEU CD1 C 13 24.2 0.3 A 169 LEU CD2 C 13 25.3 0.3 A 169 LEU CG C 13 28.2 0.3 A 169 LEU N N 15 123.5 0.3 A 170 VAL H H 1 8.60 0.02 A 170 VAL HA H 1 4.75 0.02 A 170 VAL HB H 1 2.31 0.02 A 170 VAL HG1% H 1 0.92 0.02 A 170 VAL HG2% H 1 0.70 0.02 A 170 VAL C C 13 175.6 0.3 A 170 VAL CA C 13 59.2 0.3 A 170 VAL CB C 13 35.7 0.3 A 170 VAL CG1 C 13 21.6 0.3 A 170 VAL CG2 C 13 18.2 0.3 A 170 VAL N N 15 119.0 0.3 A 171 ASN H H 1 8.46 0.02 A 171 ASN HA H 1 4.72 0.02 A 171 ASN HBy H 1 2.85 0.02 A 171 ASN HBx H 1 2.76 0.02 A 171 ASN HD21 H 1 7.77 0.02 A 171 ASN C C 13 174.6 0.3 A 171 ASN CA C 13 53.2 0.3 A 171 ASN CB C 13 39.7 0.3 A 171 ASN N N 15 119.9 0.3 A 171 ASN ND2 N 15 118.5 0.3 A 172 LYS H H 1 8.10 0.02 A 172 LYS HA H 1 4.12 0.02 A 172 LYS HBy H 1 1.87 0.02 A 172 LYS HBx H 1 1.79 0.02 A 172 LYS HDy H 1 1.74 0.02 A 172 LYS HDx H 1 1.49 0.02 A 172 LYS HE2 H 1 3.04 0.02 A 172 LYS HGy H 1 1.25 0.02 A 172 LYS HGx H 1 1.16 0.02 A 172 LYS C C 13 170.5 0.3 A 172 LYS CA C 13 58.2 0.3 A 172 LYS CB C 13 33.8 0.3 A 172 LYS CE C 13 42.2 0.3 A 172 LYS CG C 13 25.2 0.3 A 172 LYS N N 15 126.4 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 83 THR HA A 84 TRP HD1 1.0 0.0 6.10 2 2 A 82 PHE HD% A 136 ILE HB 1.0 0.0 5.25 3 3 A 82 PHE HD% A 81 THR HA 1.0 0.0 5.13 4 4 A 96 HIS HA A 97 TYR HE% 1.0 0.0 7.30 5 5 A 69 ARG HA A 70 TRP HD1 1.0 0.0 6.10 6 6 A 96 HIS HD2 A 151 VAL HB 1.0 0.0 6.10 7 7 A 80 HIS HD2 A 138 ILE HB 1.0 0.0 6.10 8 8 A 98 TYR HD% A 149 LEU HG 1.0 0.0 5.72 9 9 A 30 TYR HE% A 34 SER HBy 1.0 0.0 6.68 10 10 A 3 PHE HE% A 87 THR HB 1.0 0.0 5.38 11 11 A 137 TYR HE% A 78 GLY HAy 1.0 0.0 5.72 12 12 A 137 TYR HE% A 78 GLY HAx 1.0 0.0 5.72 13 13 A 58 PHE HE% A 110 LEU HG 1.0 0.0 6.59 14 14 A 84 TRP HD1 A 4 ILE HD1% 1.0 0.0 7.12 15 15 A 80 HIS HD2 A 138 ILE HD1% 1.0 0.0 7.12 16 16 A 81 THR HG2% A 135 HIS HD2 1.0 0.0 7.12 17 17 A 75 MET HE1 A 80 HIS HE1 1.0 0.0 5.01 18 18 A 97 TYR HD% A 99 ILE HG2% 1.0 0.0 6.15 19 19 A 82 PHE HD% A 4 ILE HD1% 1.0 0.0 6.74 20 20 A 82 PHE HD% A 148 ILE HG2% 1.0 0.0 6.15 21 21 A 82 PHE HD% A 136 ILE HD1% 1.0 0.0 8.63 22 22 A 81 THR HG2% A 135 HIS HE1 1.0 0.0 4.02 23 23 A 37 ALA HB% A 162 TYR HE% 1.0 0.0 6.37 24 24 A 92 THR HG2% A 123 HIS HD2 1.0 0.0 4.58 25 25 A 4 ILE HD1% A 71 PHE HE% 1.0 0.0 6.80 26 26 A 71 PHE HE% A 165 ILE HD1% 1.0 0.0 6.15 27 27 A 162 TYR HE% A 151 VAL HG2% 1.0 0.0 6.87 28 28 A 61 ILE HD1% A 145 TYR HE% 1.0 0.0 7.55 29 29 A 61 ILE HD1% A 145 TYR HD% 1.0 0.0 8.13 30 30 A 82 PHE HD% A 75 MET HE1 1.0 0.0 6.77 31 31 A 162 TYR HE% A 160 ALA HB% 1.0 0.0 6.62 32 32 A 162 TYR HE% A 151 VAL HG1% 1.0 0.0 6.87 33 33 A 97 TYR HE% A 136 ILE HD1% 1.0 0.0 6.81 34 34 A 97 TYR HE% A 118 ILE HG2% 1.0 0.0 6.99 35 35 A 80 HIS HD2 A 138 ILE HG2% 1.0 0.0 7.12 36 36 A 97 TYR HD% A 118 ILE HG2% 1.0 0.0 6.58 37 37 A 100 THR HG2% A 115 PHE HD% 1.0 0.0 7.45 38 38 A 3 PHE HD% A 85 THR HG2% 1.0 0.0 8.01 39 39 A 82 PHE HE% A 136 ILE HG2% 1.0 0.0 6.74 40 40 A 98 TYR HD% A 149 LEU HD2% 1.0 0.0 9.25 41 41 A 162 TYR HD% A 151 VAL HG1% 1.0 0.0 7.91 42 42 A 162 TYR HD% A 151 VAL HG2% 1.0 0.0 7.91 43 43 A 160 ALA HB% A 162 TYR HD% 1.0 0.0 9.25 44 44 A 71 PHE HE% A 165 ILE HG2% 1.0 0.0 6.74 45 45 A 58 PHE HE% A 110 LEU HD1% 1.0 0.0 7.61 46 46 A 58 PHE HE% A 110 LEU HD2% 1.0 0.0 7.61 47 47 A 15 SER HA A 15 SER HBy 1.0 0.0 3.59 48 48 A 38 LYS HA A 38 LYS HBy 1.0 0.0 3.53 49 49 A 76 THR HA A 76 THR HB 1.0 0.0 3.00 50 50 A 93 SER HA A 93 SER HBy 1.0 0.0 3.43 51 51 A 93 SER HA A 93 SER HBx 1.0 0.0 3.43 52 52 A 94 GLN HA A 94 GLN HBy 1.0 0.0 3.46 53 53 A 94 GLN HA A 94 GLN HBx 1.0 0.0 3.46 54 54 A 107 ASP HA A 107 ASP HBy 1.0 0.0 3.12 55 55 A 114 ASP HA A 114 ASP HBy 1.0 0.0 3.43 56 56 A 114 ASP HA A 114 ASP HBx 1.0 0.0 3.43 57 57 A 118 ILE HA A 118 ILE HB 1.0 0.0 3.19 58 58 A 124 ASP HA A 124 ASP HBy 1.0 0.0 3.40 59 59 A 124 ASP HA A 124 ASP HBx 1.0 0.0 3.40 60 60 A 141 ASP HA A 141 ASP HBy 1.0 0.0 3.28 61 61 A 142 ARG HA A 142 ARG HBy 1.0 0.0 3.50 62 62 A 142 ARG HA A 142 ARG HBx 1.0 0.0 3.50 63 63 A 153 ASP HA A 160 ALA HA 1.0 0.0 4.52 64 64 A 163 GLN HA A 163 GLN HBx 1.0 0.0 3.28 65 65 A 170 VAL HA A 170 VAL HB 1.0 0.0 3.00 66 66 A 15 SER HA A 15 SER HBx 1.0 0.0 3.59 67 67 A 30 TYR HA A 30 TYR HBy 1.0 0.0 3.00 68 68 A 34 SER HBy A 34 SER HA 1.0 0.0 3.12 69 69 A 85 THR HA A 85 THR HB 1.0 0.0 3.00 70 70 A 87 THR HB A 87 THR HA 1.0 0.0 3.00 71 71 A 141 ASP HA A 141 ASP HBx 1.0 0.0 3.15 72 72 A 157 THR HA A 157 THR HB 1.0 0.0 3.00 73 73 A 167 VAL HA A 167 VAL HB 1.0 0.0 3.40 74 74 A 172 LYS HA A 172 LYS HBy 1.0 0.0 3.37 75 75 A 172 LYS HA A 172 LYS HBx 1.0 0.0 3.37 76 76 A 4 ILE HA A 84 TRP HA 1.0 0.0 3.19 77 77 A 83 THR HA A 133 SER HA 1.0 0.0 3.34 78 78 A 147 VAL HA A 166 ASP HA 1.0 0.0 4.43 79 79 A 149 LEU HA A 164 VAL HA 1.0 0.0 5.17 80 80 A 97 TYR HA A 150 ALA HA 1.0 0.0 3.00 81 81 A 94 GLN HA A 122 PRO HA 1.0 0.0 3.00 82 82 A 96 HIS HA A 120 ALA HA 1.0 0.0 3.00 83 83 A 90 HIS HA A 90 HIS HBx 1.0 0.0 3.59 84 84 A 151 VAL HA A 162 TYR HA 1.0 0.0 3.00 85 85 A 98 TYR HA A 117 LEU HA 1.0 0.0 3.71 86 86 A 163 GLN HA A 163 GLN HBy 1.0 0.0 3.28 87 87 A 99 ILE HA A 148 ILE HA 1.0 0.0 3.59 88 88 A 11 ALA HA A 14 CYS HBy 1.0 0.0 3.56 89 89 A 81 THR HA A 135 HIS HA 1.0 0.0 3.06 90 90 A 90 HIS HA A 90 HIS HBy 1.0 0.0 3.59 91 91 A 79 GLU HA A 137 TYR HA 1.0 0.0 3.74 92 92 A 95 TRP HA A 152 TRP HA 1.0 0.0 3.71 93 93 A 92 THR HA A 154 VAL HA 1.0 0.0 3.22 94 94 A 134 HIS HA A 134 HIS HD2 1.0 0.0 3.31 95 95 A 62 LEU HA A 62 LEU HG 1.0 0.0 3.15 96 96 A 123 HIS HD2 A 92 THR HB 1.0 0.0 4.49 97 97 A 30 TYR HA A 30 TYR HD% 1.0 0.0 5.13 98 98 A 149 LEU HA A 164 VAL HB 1.0 0.0 4.43 99 99 A 108 LYS HA A 109 PRO HDy 1.0 0.0 3.81 100 100 A 108 LYS HA A 109 PRO HDx 1.0 0.0 3.81 101 101 A 170 VAL HB A 143 LEU HA 1.0 0.0 3.90 102 102 A 74 ILE HA A 74 ILE HD1% 1.0 0.0 4.86 103 103 A 76 THR HA A 76 THR HG2% 1.0 0.0 4.02 104 104 A 87 THR HA A 87 THR HG2% 1.0 0.0 4.02 105 105 A 138 ILE HG2% A 138 ILE HA 1.0 0.0 4.61 106 106 A 138 ILE HD1% A 138 ILE HA 1.0 0.0 4.95 107 107 A 148 ILE HG2% A 148 ILE HA 1.0 0.0 4.64 108 108 A 165 ILE HD1% A 165 ILE HA 1.0 0.0 4.45 109 109 A 170 VAL HA A 170 VAL HG1% 1.0 0.0 4.02 110 110 A 170 VAL HA A 170 VAL HG2% 1.0 0.0 4.02 111 111 A 4 ILE HD1% A 4 ILE HB 1.0 0.0 4.02 112 112 A 51 ILE HA A 51 ILE HG2% 1.0 0.0 4.02 113 113 A 51 ILE HA A 51 ILE HD1% 1.0 0.0 5.32 114 114 A 81 THR HA A 81 THR HG2% 1.0 0.0 4.14 115 115 A 83 THR HA A 83 THR HG2% 1.0 0.0 4.08 116 116 A 99 ILE HB A 99 ILE HD1% 1.0 0.0 4.02 117 117 A 100 THR HG2% A 100 THR HA 1.0 0.0 4.67 118 118 A 136 ILE HG2% A 136 ILE HA 1.0 0.0 4.79 119 119 A 136 ILE HD1% A 136 ILE HA 1.0 0.0 4.39 120 120 A 148 ILE HB A 148 ILE HD1% 1.0 0.0 4.02 121 121 A 157 THR HA A 157 THR HG2% 1.0 0.0 4.02 122 122 A 164 VAL HA A 164 VAL HG1% 1.0 0.0 4.64 123 123 A 164 VAL HA A 164 VAL HG2% 1.0 0.0 4.64 124 124 A 4 ILE HA A 4 ILE HG2% 1.0 0.0 4.11 125 125 A 84 TRP HD1 A 4 ILE HG2% 1.0 0.0 4.02 126 126 A 37 ALA HB% A 162 TYR HD% 1.0 0.0 7.79 127 127 A 97 TYR HD% A 136 ILE HG2% 1.0 0.0 6.77 128 128 A 97 TYR HD% A 136 ILE HD1% 1.0 0.0 6.15 129 129 A 117 LEU HG A 120 ALA HB% 1.0 0.0 4.33 130 130 A 82 PHE HD% A 148 ILE HD1% 1.0 0.0 8.66 131 131 A 82 PHE HE% A 148 ILE HD1% 1.0 0.0 7.80 132 132 A 97 TYR HE% A 150 ALA HB% 1.0 0.0 7.42 133 133 A 160 ALA HB% A 153 ASP HA 1.0 0.0 4.02 134 134 A 96 HIS HA A 120 ALA HB% 1.0 0.0 5.07 135 135 A 110 LEU HA A 113 ALA HB% 1.0 0.0 5.69 136 136 A 100 THR HG2% A 147 VAL HB 1.0 0.0 4.61 137 137 A 98 TYR HD% A 149 LEU HD1% 1.0 0.0 9.25 138 138 A 80 HIS HD2 A 75 MET HE1 1.0 0.0 4.33 139 139 A 4 ILE HD1% A 165 ILE HD1% 1.0 0.0 5.23 140 140 A 136 ILE HG2% A 99 ILE HD1% 1.0 0.0 6.84 141 141 A 92 THR HG2% A 92 THR HA 1.0 0.0 4.11 142 142 A 84 TRP HA A 4 ILE HG2% 1.0 0.0 4.58 143 143 A 82 PHE HD% A 136 ILE HG2% 1.0 0.0 6.52 144 144 A 1 HIS HA A 2 GLY H 1.0 0.0 3.81 145 145 A 3 PHE H A 3 PHE HA 1.0 0.0 3.50 146 146 A 4 ILE HB A 4 ILE H 1.0 0.0 3.84 147 147 A 3 PHE HA A 4 ILE H 1.0 0.0 3.59 148 148 A 5 GLU H A 5 GLU HBx 1.0 0.0 3.93 149 149 A 5 GLU H A 5 GLU HBy 1.0 0.0 3.93 150 150 A 4 ILE HA A 5 GLU H 1.0 0.0 3.53 151 151 A 5 GLU HA A 6 LYS H 1.0 0.0 4.08 152 152 A 8 GLY HAy A 9 SER H 1.0 0.0 3.84 153 153 A 9 SER H A 8 GLY HAx 1.0 0.0 3.84 154 154 A 10 ARG H A 10 ARG HBy 1.0 0.0 4.36 155 155 A 10 ARG H A 10 ARG HBx 1.0 0.0 4.36 156 156 A 10 ARG H A 9 SER HA 1.0 0.0 4.05 157 157 A 10 ARG HBy A 11 ALA H 1.0 0.0 4.77 158 158 A 10 ARG HBx A 11 ALA H 1.0 0.0 4.77 159 159 A 12 ALA H A 12 ALA HA 1.0 0.0 3.53 160 160 A 14 CYS H A 14 CYS HBx 1.0 0.0 3.00 161 161 A 14 CYS HBy A 14 CYS H 1.0 0.0 3.43 162 162 A 14 CYS H A 13 LEU HA 1.0 0.0 3.99 163 163 A 14 CYS H A 13 LEU HBy 1.0 0.0 4.30 164 164 A 14 CYS H A 13 LEU HBx 1.0 0.0 4.30 165 165 A 14 CYS HBx A 15 SER H 1.0 0.0 3.43 166 166 A 16 GLU H A 16 GLU HBy 1.0 0.0 4.24 167 167 A 16 GLU H A 16 GLU HBx 1.0 0.0 4.24 168 168 A 15 SER HA A 16 GLU H 1.0 0.0 3.00 169 169 A 16 GLU H A 15 SER HBy 1.0 0.0 4.92 170 170 A 17 ALA H A 16 GLU HBy 1.0 0.0 4.39 171 171 A 17 ALA H A 16 GLU HBx 1.0 0.0 4.39 172 172 A 17 ALA HA A 18 PHE H 1.0 0.0 4.02 173 173 A 18 PHE HA A 19 GLY H 1.0 0.0 3.90 174 174 A 19 GLY H A 18 PHE HBy 1.0 0.0 4.98 175 175 A 19 GLY H A 18 PHE HBx 1.0 0.0 4.98 176 176 A 20 PHE H A 20 PHE HBy 1.0 0.0 4.15 177 177 A 20 PHE H A 20 PHE HBx 1.0 0.0 4.15 178 178 A 20 PHE H A 19 GLY HAy 1.0 0.0 4.15 179 179 A 21 LEU H A 21 LEU HA 1.0 0.0 3.46 180 180 A 23 LEU H A 23 LEU HA 1.0 0.0 3.37 181 181 A 23 LEU H A 22 ASN HA 1.0 0.0 3.06 182 182 A 24 ASN H A 24 ASN HA 1.0 0.0 3.28 183 183 A 24 ASN H A 24 ASN HBy 1.0 0.0 4.52 184 184 A 24 ASN H A 24 ASN HBx 1.0 0.0 4.52 185 185 A 23 LEU HA A 24 ASN H 1.0 0.0 3.40 186 186 A 24 ASN H A 23 LEU HBy 1.0 0.0 4.49 187 187 A 24 ASN H A 23 LEU HBx 1.0 0.0 4.49 188 188 A 25 CYS H A 25 CYS HBx 1.0 0.0 3.53 189 189 A 25 CYS H A 25 CYS HBy 1.0 0.0 3.53 190 190 A 26 GLY H A 26 GLY HAy 1.0 0.0 3.43 191 191 A 26 GLY H A 26 GLY HAx 1.0 0.0 3.43 192 192 A 26 GLY H A 25 CYS HBx 1.0 0.0 4.43 193 193 A 27 SER H A 27 SER HA 1.0 0.0 3.50 194 194 A 26 GLY HAy A 27 SER H 1.0 0.0 3.96 195 195 A 26 GLY HAx A 27 SER H 1.0 0.0 3.96 196 196 A 28 VAL H A 28 VAL HB 1.0 0.0 3.43 197 197 A 28 VAL HB A 29 MET H 1.0 0.0 4.55 198 198 A 30 TYR H A 30 TYR HBx 1.0 0.0 3.90 199 199 A 30 TYR HBy A 30 TYR H 1.0 0.0 3.62 200 200 A 30 TYR HBx A 31 GLU H 1.0 0.0 3.50 201 201 A 32 PRO HBy A 33 GLN H 1.0 0.0 4.05 202 202 A 34 SER HBy A 34 SER H 1.0 0.0 3.71 203 203 A 34 SER H A 34 SER HBx 1.0 0.0 3.74 204 204 A 34 SER H A 33 GLN HBx 1.0 0.0 5.39 205 205 A 35 LEU H A 35 LEU HBy 1.0 0.0 4.18 206 206 A 35 LEU HA A 36 GLU H 1.0 0.0 3.09 207 207 A 36 GLU HA A 37 ALA H 1.0 0.0 3.15 208 208 A 37 ALA H A 36 GLU HBy 1.0 0.0 4.46 209 209 A 37 ALA H A 36 GLU HBx 1.0 0.0 4.46 210 210 A 38 LYS H A 38 LYS HBx 1.0 0.0 3.71 211 211 A 38 LYS HBy A 38 LYS H 1.0 0.0 3.06 212 212 A 38 LYS H A 37 ALA HA 1.0 0.0 3.43 213 213 A 39 LYS H A 39 LYS HBy 1.0 0.0 4.05 214 214 A 39 LYS H A 39 LYS HBx 1.0 0.0 4.05 215 215 A 44 SER H A 44 SER HA 1.0 0.0 3.00 216 216 A 45 GLY H A 45 GLY HAy 1.0 0.0 3.34 217 217 A 45 GLY H A 45 GLY HAx 1.0 0.0 3.34 218 218 A 47 ALA H A 47 ALA HA 1.0 0.0 3.31 219 219 A 47 ALA HA A 48 ASP H 1.0 0.0 3.25 220 220 A 48 ASP HA A 49 GLY H 1.0 0.0 3.28 221 221 A 51 ILE HA A 51 ILE H 1.0 0.0 3.46 222 222 A 51 ILE H A 51 ILE HB 1.0 0.0 3.28 223 223 A 51 ILE H A 50 GLN HA 1.0 0.0 3.93 224 224 A 53 SER H A 53 SER HA 1.0 0.0 3.53 225 225 A 54 ALA H A 54 ALA HA 1.0 0.0 3.06 226 226 A 54 ALA HA A 55 GLY H 1.0 0.0 3.50 227 227 A 57 LEU H A 57 LEU HA 1.0 0.0 3.50 228 228 A 57 LEU H A 56 GLY HAy 1.0 0.0 3.99 229 229 A 57 LEU H A 56 GLY HAx 1.0 0.0 3.99 230 230 A 57 LEU HA A 58 PHE H 1.0 0.0 4.05 231 231 A 59 GLY H A 59 GLY HAy 1.0 0.0 3.43 232 232 A 59 GLY H A 59 GLY HAx 1.0 0.0 3.43 233 233 A 61 ILE H A 61 ILE HA 1.0 0.0 3.50 234 234 A 61 ILE H A 61 ILE HB 1.0 0.0 3.12 235 235 A 61 ILE HB A 62 LEU H 1.0 0.0 3.62 236 236 A 63 ASP H A 63 ASP HBy 1.0 0.0 3.03 237 237 A 63 ASP H A 63 ASP HBx 1.0 0.0 3.03 238 238 A 63 ASP H A 62 LEU HBy 1.0 0.0 4.05 239 239 A 63 ASP H A 62 LEU HBx 1.0 0.0 4.05 240 240 A 64 GLN HA A 65 GLN H 1.0 0.0 3.68 241 241 A 66 SER H A 69 ARG HBy 1.0 0.0 3.77 242 242 A 67 GLU H A 67 GLU HBy 1.0 0.0 3.84 243 243 A 67 GLU H A 67 GLU HBx 1.0 0.0 3.84 244 244 A 67 GLU H A 66 SER HA 1.0 0.0 3.46 245 245 A 68 ASN H A 68 ASN HBy 1.0 0.0 4.43 246 246 A 68 ASN H A 68 ASN HBx 1.0 0.0 4.43 247 247 A 69 ARG HA A 69 ARG H 1.0 0.0 3.40 248 248 A 69 ARG H A 69 ARG HBy 1.0 0.0 3.28 249 249 A 69 ARG H A 69 ARG HBx 1.0 0.0 3.28 250 250 A 69 ARG H A 68 ASN HA 1.0 0.0 3.56 251 251 A 70 TRP H A 70 TRP HBy 1.0 0.0 4.43 252 252 A 70 TRP H A 70 TRP HBx 1.0 0.0 4.43 253 253 A 70 TRP H A 69 ARG HBy 1.0 0.0 4.43 254 254 A 70 TRP H A 69 ARG HBx 1.0 0.0 4.43 255 255 A 71 PHE H A 71 PHE HA 1.0 0.0 3.46 256 256 A 71 PHE H A 70 TRP HA 1.0 0.0 3.00 257 257 A 71 PHE HA A 72 LYS H 1.0 0.0 3.00 258 258 A 72 LYS HA A 73 HIS H 1.0 0.0 3.40 259 259 A 74 ILE H A 74 ILE HB 1.0 0.0 4.52 260 260 A 75 MET H A 75 MET HBy 1.0 0.0 3.77 261 261 A 75 MET H A 75 MET HBx 1.0 0.0 3.77 262 262 A 76 THR HB A 76 THR H 1.0 0.0 4.36 263 263 A 76 THR H A 75 MET HA 1.0 0.0 3.22 264 264 A 76 THR HA A 77 GLY H 1.0 0.0 3.28 265 265 A 76 THR HB A 77 GLY H 1.0 0.0 3.25 266 266 A 79 GLU H A 78 GLY HAx 1.0 0.0 3.37 267 267 A 80 HIS H A 80 HIS HBy 1.0 0.0 4.64 268 268 A 80 HIS H A 80 HIS HBx 1.0 0.0 4.64 269 269 A 79 GLU HA A 80 HIS H 1.0 0.0 3.00 270 270 A 81 THR H A 81 THR HB 1.0 0.0 3.46 271 271 A 81 THR H A 80 HIS HA 1.0 0.0 3.00 272 272 A 82 PHE H A 82 PHE HBy 1.0 0.0 4.21 273 273 A 82 PHE H A 82 PHE HBx 1.0 0.0 4.21 274 274 A 81 THR HB A 82 PHE H 1.0 0.0 4.83 275 275 A 83 THR H A 83 THR HB 1.0 0.0 3.43 276 276 A 83 THR H A 82 PHE HA 1.0 0.0 3.00 277 277 A 83 THR H A 82 PHE HBy 1.0 0.0 4.92 278 278 A 83 THR H A 82 PHE HBx 1.0 0.0 4.92 279 279 A 84 TRP H A 84 TRP HBy 1.0 0.0 4.39 280 280 A 84 TRP H A 84 TRP HBx 1.0 0.0 4.39 281 281 A 85 THR HB A 85 THR H 1.0 0.0 4.27 282 282 A 84 TRP HA A 85 THR H 1.0 0.0 3.12 283 283 A 85 THR H A 84 TRP HBy 1.0 0.0 4.43 284 284 A 85 THR H A 84 TRP HBx 1.0 0.0 4.43 285 285 A 85 THR HA A 86 TYR H 1.0 0.0 3.22 286 286 A 85 THR HB A 86 TYR H 1.0 0.0 4.71 287 287 A 87 THR HB A 87 THR H 1.0 0.0 4.12 288 288 A 87 THR H A 86 TYR HA 1.0 0.0 3.34 289 289 A 91 ASN H A 91 ASN HA 1.0 0.0 3.40 290 290 A 91 ASN H A 91 ASN HBy 1.0 0.0 4.43 291 291 A 91 ASN H A 91 ASN HBx 1.0 0.0 4.43 292 292 A 92 THR HA A 93 SER H 1.0 0.0 3.37 293 293 A 94 GLN HA A 95 TRP H 1.0 0.0 3.46 294 294 A 95 TRP HA A 96 HIS H 1.0 0.0 3.09 295 295 A 97 TYR H A 97 TYR HBy 1.0 0.0 4.43 296 296 A 97 TYR H A 97 TYR HBx 1.0 0.0 4.43 297 297 A 97 TYR H A 96 HIS HBy 1.0 0.0 3.96 298 298 A 97 TYR H A 96 HIS HBx 1.0 0.0 3.96 299 299 A 97 TYR HA A 98 TYR H 1.0 0.0 3.15 300 300 A 97 TYR HBy A 98 TYR H 1.0 0.0 4.89 301 301 A 97 TYR HBx A 98 TYR H 1.0 0.0 4.89 302 302 A 99 ILE HB A 99 ILE H 1.0 0.0 4.55 303 303 A 98 TYR HA A 99 ILE H 1.0 0.0 3.31 304 304 A 99 ILE H A 98 TYR HBy 1.0 0.0 4.12 305 305 A 99 ILE H A 98 TYR HBx 1.0 0.0 4.12 306 306 A 99 ILE HA A 100 THR H 1.0 0.0 3.25 307 307 A 99 ILE HB A 100 THR H 1.0 0.0 3.65 308 308 A 100 THR HA A 101 LYS H 1.0 0.0 3.37 309 309 A 102 LYS H A 102 LYS HA 1.0 0.0 3.53 310 310 A 102 LYS H A 101 LYS HA 1.0 0.0 3.31 311 311 A 102 LYS HA A 103 GLY H 1.0 0.0 3.43 312 312 A 104 TRP H A 104 TRP HBy 1.0 0.0 4.36 313 313 A 104 TRP H A 104 TRP HBx 1.0 0.0 4.36 314 314 A 105 ASP H A 105 ASP HBy 1.0 0.0 3.96 315 315 A 105 ASP H A 105 ASP HBx 1.0 0.0 3.96 316 316 A 105 ASP H A 104 TRP HA 1.0 0.0 3.00 317 317 A 107 ASP HBy A 107 ASP H 1.0 0.0 3.28 318 318 A 107 ASP H A 107 ASP HBx 1.0 0.0 3.25 319 319 A 107 ASP H A 106 PRO HBy 1.0 0.0 4.46 320 320 A 107 ASP H A 106 PRO HBx 1.0 0.0 4.46 321 321 A 108 LYS H A 108 LYS HBy 1.0 0.0 4.21 322 322 A 108 LYS H A 108 LYS HBx 1.0 0.0 4.21 323 323 A 107 ASP HBy A 108 LYS H 1.0 0.0 4.89 324 324 A 107 ASP HBx A 108 LYS H 1.0 0.0 4.43 325 325 A 112 ARG H A 112 ARG HBy 1.0 0.0 3.00 326 326 A 112 ARG H A 111 LYS HA 1.0 0.0 3.99 327 327 A 112 ARG HBx A 113 ALA H 1.0 0.0 3.34 328 328 A 112 ARG HBy A 113 ALA H 1.0 0.0 4.02 329 329 A 114 ASP H A 114 ASP HBy 1.0 0.0 4.12 330 330 A 114 ASP H A 114 ASP HBx 1.0 0.0 4.12 331 331 A 114 ASP HA A 115 PHE H 1.0 0.0 4.02 332 332 A 115 PHE HA A 116 GLU H 1.0 0.0 3.43 333 333 A 117 LEU H A 117 LEU HBy 1.0 0.0 3.81 334 334 A 117 LEU H A 117 LEU HBx 1.0 0.0 3.81 335 335 A 117 LEU H A 116 GLU HA 1.0 0.0 3.03 336 336 A 118 ILE HB A 119 GLY H 1.0 0.0 4.52 337 337 A 120 ALA H A 119 GLY HAy 1.0 0.0 3.46 338 338 A 120 ALA H A 119 GLY HAx 1.0 0.0 3.46 339 339 A 121 VAL H A 121 VAL HB 1.0 0.0 3.59 340 340 A 120 ALA HA A 121 VAL H 1.0 0.0 3.00 341 341 A 123 HIS H A 123 HIS HBy 1.0 0.0 3.71 342 342 A 123 HIS H A 123 HIS HBx 1.0 0.0 3.71 343 343 A 123 HIS H A 122 PRO HBy 1.0 0.0 3.99 344 344 A 123 HIS H A 122 PRO HBx 1.0 0.0 3.99 345 345 A 124 ASP H A 124 ASP HBy 1.0 0.0 4.18 346 346 A 124 ASP H A 124 ASP HBx 1.0 0.0 4.18 347 347 A 124 ASP H A 123 HIS HA 1.0 0.0 3.31 348 348 A 127 PRO HA A 128 ALA H 1.0 0.0 3.19 349 349 A 128 ALA H A 127 PRO HBy 1.0 0.0 5.20 350 350 A 128 ALA H A 127 PRO HBx 1.0 0.0 5.20 351 351 A 131 ASN H A 131 ASN HBy 1.0 0.0 4.30 352 352 A 131 ASN H A 131 ASN HBx 1.0 0.0 4.30 353 353 A 131 ASN H A 130 ARG HA 1.0 0.0 4.08 354 354 A 131 ASN H A 130 ARG HBx 1.0 0.0 4.74 355 355 A 132 LEU H A 132 LEU HBy 1.0 0.0 3.65 356 356 A 132 LEU H A 132 LEU HBx 1.0 0.0 3.65 357 357 A 132 LEU H A 131 ASN HA 1.0 0.0 3.00 358 358 A 133 SER H A 133 SER HBy 1.0 0.0 3.90 359 359 A 133 SER H A 133 SER HBx 1.0 0.0 3.90 360 360 A 133 SER H A 132 LEU HA 1.0 0.0 4.02 361 361 A 133 SER H A 132 LEU HBy 1.0 0.0 4.71 362 362 A 133 SER H A 132 LEU HBx 1.0 0.0 4.71 363 363 A 133 SER HA A 134 HIS H 1.0 0.0 3.09 364 364 A 134 HIS HA A 135 HIS H 1.0 0.0 3.00 365 365 A 136 ILE HB A 136 ILE H 1.0 0.0 3.40 366 366 A 135 HIS HA A 136 ILE H 1.0 0.0 3.00 367 367 A 136 ILE H A 135 HIS HBy 1.0 0.0 4.61 368 368 A 136 ILE H A 135 HIS HBx 1.0 0.0 4.61 369 369 A 137 TYR H A 137 TYR HBy 1.0 0.0 3.31 370 370 A 137 TYR H A 137 TYR HBx 1.0 0.0 3.31 371 371 A 136 ILE HA A 137 TYR H 1.0 0.0 3.00 372 372 A 136 ILE HB A 137 TYR H 1.0 0.0 4.58 373 373 A 138 ILE HB A 138 ILE H 1.0 0.0 3.43 374 374 A 140 GLU H A 140 GLU HBy 1.0 0.0 3.37 375 375 A 140 GLU H A 140 GLU HBx 1.0 0.0 3.37 376 376 A 140 GLU H A 139 PRO HA 1.0 0.0 3.12 377 377 A 141 ASP HA A 141 ASP H 1.0 0.0 3.40 378 378 A 141 ASP HBy A 141 ASP H 1.0 0.0 4.27 379 379 A 141 ASP HBx A 141 ASP H 1.0 0.0 3.31 380 380 A 142 ARG H A 142 ARG HBy 1.0 0.0 4.46 381 381 A 142 ARG H A 142 ARG HBx 1.0 0.0 4.46 382 382 A 141 ASP HBx A 142 ARG H 1.0 0.0 4.61 383 383 A 143 LEU H A 142 ARG HBy 1.0 0.0 3.93 384 384 A 143 LEU H A 142 ARG HBx 1.0 0.0 3.93 385 385 A 144 GLY H A 143 LEU HBy 1.0 0.0 5.02 386 386 A 144 GLY H A 143 LEU HBx 1.0 0.0 5.02 387 387 A 145 TYR H A 145 TYR HBy 1.0 0.0 4.05 388 388 A 145 TYR H A 145 TYR HBx 1.0 0.0 4.05 389 389 A 145 TYR HA A 146 HIS H 1.0 0.0 3.19 390 390 A 147 VAL HB A 147 VAL H 1.0 0.0 3.93 391 391 A 147 VAL H A 146 HIS HA 1.0 0.0 3.53 392 392 A 148 ILE HB A 148 ILE H 1.0 0.0 3.34 393 393 A 147 VAL HA A 148 ILE H 1.0 0.0 3.12 394 394 A 149 LEU H A 149 LEU HBy 1.0 0.0 4.55 395 395 A 149 LEU H A 149 LEU HBx 1.0 0.0 4.55 396 396 A 148 ILE HA A 149 LEU H 1.0 0.0 3.03 397 397 A 148 ILE HB A 149 LEU H 1.0 0.0 4.77 398 398 A 150 ALA HA A 150 ALA H 1.0 0.0 3.50 399 399 A 151 VAL HB A 151 VAL H 1.0 0.0 3.77 400 400 A 150 ALA HA A 151 VAL H 1.0 0.0 3.15 401 401 A 152 TRP H A 152 TRP HBy 1.0 0.0 4.02 402 402 A 152 TRP H A 152 TRP HBx 1.0 0.0 4.02 403 403 A 151 VAL HA A 152 TRP H 1.0 0.0 3.37 404 404 A 153 ASP H A 153 ASP HBy 1.0 0.0 3.99 405 405 A 153 ASP H A 153 ASP HBx 1.0 0.0 3.99 406 406 A 152 TRP HA A 153 ASP H 1.0 0.0 3.31 407 407 A 154 VAL H A 154 VAL HB 1.0 0.0 3.53 408 408 A 153 ASP HA A 154 VAL H 1.0 0.0 3.09 409 409 A 154 VAL H A 153 ASP HBy 1.0 0.0 5.67 410 410 A 154 VAL H A 153 ASP HBx 1.0 0.0 5.67 411 411 A 154 VAL HA A 155 ALA H 1.0 0.0 3.37 412 412 A 156 ASP H A 156 ASP HBy 1.0 0.0 4.18 413 413 A 156 ASP H A 156 ASP HBx 1.0 0.0 4.18 414 414 A 156 ASP H A 155 ALA HA 1.0 0.0 3.68 415 415 A 157 THR HB A 157 THR H 1.0 0.0 4.30 416 416 A 157 THR H A 156 ASP HA 1.0 0.0 4.05 417 417 A 158 GLU H A 158 GLU HBy 1.0 0.0 3.74 418 418 A 158 GLU H A 158 GLU HBx 1.0 0.0 3.74 419 419 A 158 GLU HA A 159 ASN H 1.0 0.0 4.08 420 420 A 159 ASN H A 158 GLU HBy 1.0 0.0 4.21 421 421 A 159 ASN H A 158 GLU HBx 1.0 0.0 4.21 422 422 A 159 ASN HA A 160 ALA H 1.0 0.0 3.28 423 423 A 160 ALA H A 159 ASN HBy 1.0 0.0 3.90 424 424 A 160 ALA H A 159 ASN HBx 1.0 0.0 3.90 425 425 A 160 ALA HA A 161 PHE H 1.0 0.0 3.22 426 426 A 162 TYR H A 162 TYR HBy 1.0 0.0 4.64 427 427 A 162 TYR H A 162 TYR HBx 1.0 0.0 4.64 428 428 A 162 TYR H A 161 PHE HA 1.0 0.0 3.34 429 429 A 162 TYR HA A 163 GLN H 1.0 0.0 3.31 430 430 A 163 GLN H A 162 TYR HBx 1.0 0.0 4.89 431 431 A 163 GLN HA A 164 VAL H 1.0 0.0 3.59 432 432 A 165 ILE H A 165 ILE HB 1.0 0.0 3.74 433 433 A 164 VAL HA A 165 ILE H 1.0 0.0 3.62 434 434 A 165 ILE HA A 166 ASP H 1.0 0.0 3.46 435 435 A 166 ASP HA A 167 VAL H 1.0 0.0 3.77 436 436 A 168 ASP H A 168 ASP HBy 1.0 0.0 3.71 437 437 A 168 ASP H A 168 ASP HBx 1.0 0.0 3.71 438 438 A 167 VAL HA A 168 ASP H 1.0 0.0 3.00 439 439 A 167 VAL HB A 168 ASP H 1.0 0.0 3.37 440 440 A 169 LEU H A 169 LEU HBy 1.0 0.0 4.39 441 441 A 169 LEU H A 168 ASP HA 1.0 0.0 3.00 442 442 A 169 LEU H A 169 LEU HBx 1.0 0.0 4.39 443 443 A 170 VAL HA A 170 VAL H 1.0 0.0 3.46 444 444 A 170 VAL H A 169 LEU HA 1.0 0.0 3.00 445 445 A 171 ASN H A 171 ASN HBy 1.0 0.0 4.21 446 446 A 170 VAL HB A 171 ASN H 1.0 0.0 3.00 447 447 A 172 LYS HA A 172 LYS H 1.0 0.0 3.31 448 448 A 172 LYS H A 171 ASN HA 1.0 0.0 3.00 449 449 A 172 LYS H A 171 ASN HBx 1.0 0.0 4.46 450 450 A 5 GLU H A 6 LYS H 1.0 0.0 3.03 451 451 A 11 ALA H A 12 ALA H 1.0 0.0 3.53 452 452 A 9 SER HA A 11 ALA H 1.0 0.0 4.39 453 453 A 16 GLU H A 15 SER HBx 1.0 0.0 4.92 454 454 A 17 ALA H A 15 SER HBy 1.0 0.0 5.60 455 455 A 17 ALA H A 18 PHE H 1.0 0.0 3.22 456 456 A 18 PHE H A 19 GLY H 1.0 0.0 3.28 457 457 A 25 CYS H A 26 GLY H 1.0 0.0 3.09 458 458 A 27 SER H A 28 VAL H 1.0 0.0 3.99 459 459 A 29 MET H A 30 TYR H 1.0 0.0 3.56 460 460 A 34 SER H A 33 GLN HBy 1.0 0.0 5.39 461 461 A 34 SER H A 35 LEU H 1.0 0.0 6.10 462 462 A 33 GLN H A 34 SER H 1.0 0.0 3.46 463 463 A 37 ALA H A 161 PHE HA 1.0 0.0 4.24 464 464 A 44 SER H A 43 HIS H 1.0 0.0 3.28 465 465 A 48 ASP HA A 51 ILE H 1.0 0.0 5.98 466 466 A 54 ALA H A 55 GLY H 1.0 0.0 3.43 467 467 A 57 LEU H A 56 GLY H 1.0 0.0 3.22 468 468 A 55 GLY H A 56 GLY H 1.0 0.0 3.34 469 469 A 61 ILE H A 60 GLY H 1.0 0.0 3.06 470 470 A 59 GLY H A 60 GLY H 1.0 0.0 3.37 471 471 A 61 ILE H A 62 LEU H 1.0 0.0 3.53 472 472 A 61 ILE HB A 63 ASP H 1.0 0.0 5.29 473 473 A 62 LEU H A 63 ASP H 1.0 0.0 3.00 474 474 A 63 ASP H A 64 GLN H 1.0 0.0 3.71 475 475 A 75 MET H A 169 LEU HA 1.0 0.0 3.68 476 476 A 117 LEU HA A 99 ILE H 1.0 0.0 4.24 477 477 A 103 GLY H A 104 TRP H 1.0 0.0 3.68 478 478 A 112 ARG H A 113 ALA H 1.0 0.0 3.77 479 479 A 98 TYR HA A 119 GLY H 1.0 0.0 4.55 480 480 A 124 ASP H A 125 GLY H 1.0 0.0 3.62 481 481 A 129 SER H A 130 ARG H 1.0 0.0 4.18 482 482 A 127 PRO HA A 129 SER H 1.0 0.0 6.10 483 483 A 132 LEU H A 133 SER H 1.0 0.0 3.31 484 484 A 83 THR HA A 134 HIS H 1.0 0.0 4.83 485 485 A 138 ILE H A 78 GLY H 1.0 0.0 4.67 486 486 A 141 ASP H A 142 ARG H 1.0 0.0 3.34 487 487 A 142 ARG H A 143 LEU H 1.0 0.0 5.14 488 488 A 100 THR H A 147 VAL H 1.0 0.0 3.84 489 489 A 153 ASP H A 94 GLN H 1.0 0.0 4.46 490 490 A 131 ASN HA A 133 SER H 1.0 0.0 4.27 491 491 A 3 PHE H A 86 TYR HA 1.0 0.0 3.74 492 492 A 6 LYS H A 83 THR H 1.0 0.0 4.52 493 493 A 10 ARG H A 11 ALA H 1.0 0.0 3.81 494 494 A 9 SER HA A 12 ALA H 1.0 0.0 5.39 495 495 A 145 TYR HA A 169 LEU H 1.0 0.0 4.52 496 496 A 144 GLY H A 169 LEU H 1.0 0.0 4.55 497 497 A 140 GLU H A 141 ASP H 1.0 0.0 4.02 498 498 A 95 TRP H A 121 VAL H 1.0 0.0 4.77 499 499 A 99 ILE HA A 149 LEU H 1.0 0.0 3.93 500 500 A 98 TYR H A 149 LEU H 1.0 0.0 3.96 501 501 A 67 GLU H A 68 ASN H 1.0 0.0 3.68 502 502 A 93 SER H A 94 GLN H 1.0 0.0 3.62 503 503 A 93 SER H A 155 ALA H 1.0 0.0 4.52 504 504 A 14 CYS H A 13 LEU H 1.0 0.0 3.59 505 505 A 14 CYS H A 15 SER H 1.0 0.0 3.56 506 506 A 16 GLU H A 17 ALA H 1.0 0.0 3.46 507 507 A 15 SER HA A 17 ALA H 1.0 0.0 5.11 508 508 A 20 PHE H A 21 LEU H 1.0 0.0 3.77 509 509 A 21 LEU H A 22 ASN H 1.0 0.0 3.81 510 510 A 24 ASN H A 25 CYS H 1.0 0.0 3.28 511 511 A 25 CYS H A 24 ASN HBx 1.0 0.0 5.29 512 512 A 26 GLY H A 27 SER H 1.0 0.0 4.58 513 513 A 170 VAL HA A 144 GLY H 1.0 0.0 4.08 514 514 A 148 ILE H A 165 ILE H 1.0 0.0 4.08 515 515 A 164 VAL HA A 150 ALA H 1.0 0.0 3.74 516 516 A 151 VAL HA A 163 GLN H 1.0 0.0 4.33 517 517 A 95 TRP HA A 153 ASP H 1.0 0.0 4.24 518 518 A 152 TRP HA A 96 HIS H 1.0 0.0 5.26 519 519 A 96 HIS H A 151 VAL H 1.0 0.0 3.65 520 520 A 97 TYR HA A 151 VAL H 1.0 0.0 4.05 521 521 A 150 ALA HA A 98 TYR H 1.0 0.0 4.74 522 522 A 94 GLN HA A 123 HIS H 1.0 0.0 3.59 523 523 A 96 HIS HA A 121 VAL H 1.0 0.0 4.02 524 524 A 120 ALA HA A 97 TYR H 1.0 0.0 3.99 525 525 A 98 TYR HA A 118 ILE H 1.0 0.0 3.77 526 526 A 69 ARG H A 70 TRP H 1.0 0.0 5.54 527 527 A 107 ASP H A 108 LYS H 1.0 0.0 3.19 528 528 A 82 PHE H A 134 HIS H 1.0 0.0 4.36 529 529 A 80 HIS H A 136 ILE H 1.0 0.0 4.43 530 530 A 81 THR HA A 136 ILE H 1.0 0.0 4.30 531 531 A 28 VAL H A 29 MET H 1.0 0.0 3.59 532 532 A 51 ILE H A 50 GLN H 1.0 0.0 3.19 533 533 A 49 GLY H A 50 GLN H 1.0 0.0 3.53 534 534 A 57 LEU H A 58 PHE H 1.0 0.0 4.77 535 535 A 68 ASN H A 67 GLU HBx 1.0 0.0 4.18 536 536 A 68 ASN H A 67 GLU HBy 1.0 0.0 4.18 537 537 A 109 PRO HA A 111 LYS H 1.0 0.0 5.29 538 538 A 113 ALA H A 114 ASP H 1.0 0.0 4.15 539 539 A 92 THR HA A 155 ALA H 1.0 0.0 4.15 540 540 A 156 ASP H A 157 THR H 1.0 0.0 3.28 541 541 A 158 GLU H A 159 ASN H 1.0 0.0 3.62 542 542 A 39 LYS H A 159 ASN HA 1.0 0.0 3.96 543 543 A 38 LYS HBx A 39 LYS H 1.0 0.0 4.05 544 544 A 148 ILE HA A 100 THR H 1.0 0.0 4.33 545 545 A 9 SER H A 8 GLY H 1.0 0.0 5.02 546 546 A 61 ILE HA A 63 ASP H 1.0 0.0 4.89 547 547 A 111 LYS H A 110 LEU H 1.0 0.0 4.18 548 548 A 76 THR HA A 170 VAL H 1.0 0.0 3.37 549 549 A 75 MET H A 168 ASP H 1.0 0.0 4.02 550 550 A 167 VAL HA A 73 HIS H 1.0 0.0 3.77 551 551 A 72 LYS HA A 166 ASP H 1.0 0.0 5.39 552 552 A 131 ASN H A 129 SER HA 1.0 0.0 4.33 553 553 A 83 THR HA A 84 TRP H 1.0 0.0 3.03 554 554 A 3 PHE H A 85 THR H 1.0 0.0 4.12 555 555 A 54 ALA HA A 56 GLY H 1.0 0.0 4.39 556 556 A 66 SER H A 69 ARG HBx 1.0 0.0 3.77 557 557 A 66 SER H A 69 ARG H 1.0 0.0 4.39 558 558 A 160 ALA HA A 154 VAL H 1.0 0.0 4.05 559 559 A 38 LYS HA A 160 ALA H 1.0 0.0 5.45 560 560 A 17 ALA H A 19 GLY H 1.0 0.0 4.80 561 561 A 17 ALA H A 15 SER HBx 1.0 0.0 5.60 562 562 A 30 TYR H A 31 GLU H 1.0 0.0 3.96 563 563 A 35 LEU H A 35 LEU HBx 1.0 0.0 4.18 564 564 A 54 ALA H A 52 ALA HA 1.0 0.0 5.05 565 565 A 65 GLN H A 66 SER H 1.0 0.0 4.21 566 566 A 68 ASN H A 69 ARG H 1.0 0.0 3.09 567 567 A 63 ASP H A 60 GLY HAy 1.0 0.0 5.26 568 568 A 12 ALA HA A 15 SER H 1.0 0.0 5.39 569 569 A 38 LYS HA A 39 LYS H 1.0 0.0 3.40 570 570 A 122 PRO HA A 95 TRP H 1.0 0.0 4.12 571 571 A 162 TYR HA A 152 TRP H 1.0 0.0 4.27 572 572 A 152 TRP H A 161 PHE H 1.0 0.0 3.87 573 573 A 123 HIS HA A 125 GLY H 1.0 0.0 5.11 574 574 A 133 SER HA A 84 TRP H 1.0 0.0 4.08 575 575 A 73 HIS H A 168 ASP H 1.0 0.0 4.43 576 576 A 51 ILE H A 52 ALA H 1.0 0.0 3.34 577 577 A 157 THR HA A 158 GLU H 1.0 0.0 3.56 578 578 A 63 ASP H A 60 GLY HAx 1.0 0.0 5.26 579 579 A 66 SER H A 65 GLN HA 1.0 0.0 3.00 580 580 A 34 SER HA A 35 LEU H 1.0 0.0 4.15 581 581 A 12 ALA H A 13 LEU H 1.0 0.0 3.50 582 582 A 12 ALA H A 10 ARG HA 1.0 0.0 4.67 583 583 A 12 ALA HA A 14 CYS H 1.0 0.0 5.36 584 584 A 20 PHE H A 19 GLY HAx 1.0 0.0 4.15 585 585 A 20 PHE H A 22 ASN H 1.0 0.0 4.77 586 586 A 27 SER HA A 29 MET H 1.0 0.0 4.39 587 587 A 33 GLN H A 31 GLU HA 1.0 0.0 6.10 588 588 A 39 LYS HA A 40 GLY H 1.0 0.0 4.08 589 589 A 48 ASP HA A 50 GLN H 1.0 0.0 3.96 590 590 A 49 GLY H A 51 ILE H 1.0 0.0 5.64 591 591 A 51 ILE HA A 52 ALA H 1.0 0.0 4.05 592 592 A 50 GLN HA A 52 ALA H 1.0 0.0 6.07 593 593 A 54 ALA HA A 57 LEU H 1.0 0.0 5.42 594 594 A 61 ILE H A 58 PHE HA 1.0 0.0 4.30 595 595 A 61 ILE H A 63 ASP H 1.0 0.0 4.83 596 596 A 70 TRP H A 71 PHE H 1.0 0.0 5.36 597 597 A 72 LYS H A 72 LYS HA 1.0 0.0 3.53 598 598 A 97 TYR H A 119 GLY H 1.0 0.0 4.46 599 599 A 108 LYS HA A 110 LEU H 1.0 0.0 6.10 600 600 A 113 ALA H A 109 PRO HA 1.0 0.0 6.10 601 601 A 117 LEU HA A 119 GLY H 1.0 0.0 4.58 602 602 A 122 PRO HA A 123 HIS H 1.0 0.0 3.15 603 603 A 146 HIS H A 168 ASP HA 1.0 0.0 4.46 604 604 A 155 ALA H A 156 ASP H 1.0 0.0 3.74 605 605 A 155 ALA HA A 157 THR H 1.0 0.0 4.33 606 606 A 157 THR HA A 159 ASN H 1.0 0.0 4.89 607 607 A 37 ALA H A 160 ALA H 1.0 0.0 6.10 608 608 A 161 PHE H A 161 PHE HBx 1.0 0.0 4.05 609 609 A 161 PHE H A 161 PHE HBy 1.0 0.0 4.05 610 610 A 153 ASP HA A 161 PHE H 1.0 0.0 4.77 611 611 A 150 ALA H A 163 GLN H 1.0 0.0 3.87 612 612 A 74 ILE HA A 168 ASP H 1.0 0.0 4.33 613 613 A 13 LEU H A 10 ARG HA 1.0 0.0 5.39 614 614 A 11 ALA HA A 13 LEU H 1.0 0.0 4.30 615 615 A 11 ALA HA A 14 CYS H 1.0 0.0 5.39 616 616 A 14 CYS HBy A 15 SER H 1.0 0.0 4.71 617 617 A 35 LEU H A 36 GLU H 1.0 0.0 5.94 618 618 A 36 GLU H A 37 ALA H 1.0 0.0 5.76 619 619 A 8 GLY H A 7 PRO HA 1.0 0.0 3.00 620 620 A 8 GLY H A 6 LYS HA 1.0 0.0 3.22 621 621 A 34 SER HBy A 35 LEU H 1.0 0.0 5.73 622 622 A 112 ARG HBy A 114 ASP H 1.0 0.0 5.29 623 623 A 84 TRP HA A 5 GLU H 1.0 0.0 3.50 624 624 A 15 SER H A 16 GLU H 1.0 0.0 6.10 625 625 A 21 LEU H A 20 PHE HA 1.0 0.0 4.15 626 626 A 17 ALA HA A 20 PHE H 1.0 0.0 5.39 627 627 A 25 CYS H A 24 ASN HBy 1.0 0.0 5.29 628 628 A 24 ASN HA A 25 CYS H 1.0 0.0 3.50 629 629 A 26 GLY H A 25 CYS HBy 1.0 0.0 4.43 630 630 A 51 ILE HB A 52 ALA H 1.0 0.0 3.84 631 631 A 57 LEU HA A 60 GLY H 1.0 0.0 5.23 632 632 A 61 ILE HA A 64 GLN H 1.0 0.0 4.64 633 633 A 64 GLN H A 63 ASP HA 1.0 0.0 4.08 634 634 A 65 GLN H A 64 GLN H 1.0 0.0 4.39 635 635 A 57 LEU HA A 59 GLY H 1.0 0.0 4.36 636 636 A 59 GLY H A 58 PHE HA 1.0 0.0 4.02 637 637 A 60 GLY H A 58 PHE HA 1.0 0.0 4.24 638 638 A 66 SER H A 67 GLU H 1.0 0.0 5.29 639 639 A 79 GLU H A 78 GLY HAy 1.0 0.0 3.37 640 640 A 79 GLU HA A 138 ILE H 1.0 0.0 3.77 641 641 A 137 TYR HA A 138 ILE H 1.0 0.0 3.03 642 642 A 137 TYR HA A 80 HIS H 1.0 0.0 4.36 643 643 A 135 HIS HA A 82 PHE H 1.0 0.0 3.87 644 644 A 81 THR HA A 82 PHE H 1.0 0.0 3.00 645 645 A 87 THR H A 88 ALA H 1.0 0.0 3.68 646 646 A 86 TYR HA A 88 ALA H 1.0 0.0 4.64 647 647 A 119 GLY H A 118 ILE H 1.0 0.0 3.00 648 648 A 99 ILE H A 116 GLU H 1.0 0.0 3.62 649 649 A 110 LEU HA A 113 ALA H 1.0 0.0 5.57 650 650 A 128 ALA H A 129 SER H 1.0 0.0 4.58 651 651 A 131 ASN H A 130 ARG HBy 1.0 0.0 4.74 652 652 A 171 ASN H A 172 LYS H 1.0 0.0 6.10 653 653 A 146 HIS H A 145 TYR HBx 1.0 0.0 4.89 654 654 A 146 HIS H A 145 TYR HBy 1.0 0.0 4.89 655 655 A 163 GLN H A 162 TYR HBy 1.0 0.0 4.89 656 656 A 149 LEU HA A 165 ILE H 1.0 0.0 4.43 657 657 A 147 VAL HA A 167 VAL H 1.0 0.0 4.33 658 658 A 146 HIS H A 167 VAL H 1.0 0.0 5.64 659 659 A 75 MET H A 170 VAL H 1.0 0.0 4.21 660 660 A 171 ASN H A 171 ASN HBx 1.0 0.0 4.21 661 661 A 172 LYS H A 171 ASN HBy 1.0 0.0 4.46 662 662 A 154 VAL HA A 93 SER H 1.0 0.0 4.27 663 663 A 21 LEU H A 21 LEU HG 1.0 0.0 3.65 664 664 A 22 ASN H A 21 LEU HG 1.0 0.0 5.32 665 665 A 23 LEU H A 23 LEU HG 1.0 0.0 3.93 666 666 A 24 ASN H A 23 LEU HG 1.0 0.0 4.02 667 667 A 57 LEU H A 57 LEU HG 1.0 0.0 3.22 668 668 A 62 LEU HG A 62 LEU H 1.0 0.0 4.36 669 669 A 117 LEU HG A 117 LEU H 1.0 0.0 6.04 670 670 A 132 LEU H A 132 LEU HG 1.0 0.0 4.89 671 671 A 133 SER H A 132 LEU HG 1.0 0.0 6.10 672 672 A 144 GLY H A 143 LEU HG 1.0 0.0 5.36 673 673 A 169 LEU H A 169 LEU HG 1.0 0.0 3.84 674 674 A 162 TYR HD% A 37 ALA H 1.0 0.0 7.98 675 675 A 162 TYR HE% A 37 ALA H 1.0 0.0 8.23 676 676 A 70 TRP HD1 A 71 PHE H 1.0 0.0 6.10 677 677 A 138 ILE HB A 78 GLY H 1.0 0.0 5.20 678 678 A 79 GLU H A 137 TYR HD% 1.0 0.0 7.98 679 679 A 82 PHE HD% A 82 PHE H 1.0 0.0 7.98 680 680 A 84 TRP HD1 A 84 TRP H 1.0 0.0 4.08 681 681 A 3 PHE HD% A 85 THR H 1.0 0.0 8.04 682 682 A 86 TYR H A 86 TYR HD% 1.0 0.0 6.99 683 683 A 86 TYR H A 132 LEU HG 1.0 0.0 5.91 684 684 A 95 TRP H A 95 TRP HD1 1.0 0.0 4.24 685 685 A 98 TYR HD% A 98 TYR H 1.0 0.0 6.43 686 686 A 98 TYR HD% A 99 ILE H 1.0 0.0 8.17 687 687 A 112 ARG H A 112 ARG HDy 1.0 0.0 6.10 688 688 A 135 HIS HD2 A 135 HIS H 1.0 0.0 6.10 689 689 A 134 HIS HD2 A 135 HIS H 1.0 0.0 5.39 690 690 A 138 ILE H A 137 TYR HD% 1.0 0.0 8.23 691 691 A 38 LYS HBy A 160 ALA H 1.0 0.0 5.73 692 692 A 162 TYR HD% A 162 TYR H 1.0 0.0 8.23 693 693 A 3 PHE HD% A 3 PHE H 1.0 0.0 8.23 694 694 A 6 LYS H A 83 THR HB 1.0 0.0 6.10 695 695 A 18 PHE H A 18 PHE HD% 1.0 0.0 8.23 696 696 A 41 PHE H A 41 PHE HD% 1.0 0.0 8.23 697 697 A 137 TYR H A 137 TYR HD% 1.0 0.0 7.58 698 698 A 82 PHE HD% A 136 ILE H 1.0 0.0 8.23 699 699 A 97 TYR HD% A 97 TYR H 1.0 0.0 6.49 700 700 A 96 HIS HD2 A 151 VAL H 1.0 0.0 6.10 701 701 A 96 HIS HD2 A 96 HIS H 1.0 0.0 3.43 702 702 A 80 HIS HD2 A 80 HIS H 1.0 0.0 6.10 703 703 A 58 PHE H A 58 PHE HD% 1.0 0.0 8.23 704 704 A 71 PHE H A 71 PHE HD% 1.0 0.0 7.21 705 705 A 87 THR H A 86 TYR HD% 1.0 0.0 8.23 706 706 A 105 ASP H A 104 TRP HD1 1.0 0.0 5.20 707 707 A 104 TRP H A 104 TRP HD1 1.0 0.0 4.33 708 708 A 115 PHE HD% A 115 PHE H 1.0 0.0 7.21 709 709 A 92 THR HB A 152 TRP HE1 1.0 0.0 6.10 710 710 A 72 LYS H A 71 PHE HD% 1.0 0.0 7.27 711 711 A 151 VAL HB A 96 HIS H 1.0 0.0 4.67 712 712 A 30 TYR HD% A 30 TYR H 1.0 0.0 8.23 713 713 A 147 VAL H A 100 THR HB 1.0 0.0 6.10 714 714 A 61 ILE H A 61 ILE HG1y 1.0 0.0 4.02 715 715 A 92 THR HA A 152 TRP HE1 1.0 0.0 6.10 716 716 A 70 TRP HD1 A 70 TRP H 1.0 0.0 4.52 717 717 A 167 VAL HB A 75 MET H 1.0 0.0 5.02 718 718 A 95 TRP H A 94 GLN HGy 1.0 0.0 4.77 719 719 A 112 ARG H A 112 ARG HD2 1.0 0.0 6.10 720 720 A 61 ILE H A 61 ILE HG1x 1.0 0.0 4.02 721 721 A 3 PHE HD% A 4 ILE H 1.0 0.0 8.10 722 722 A 147 VAL HB A 100 THR H 1.0 0.0 6.10 723 723 A 95 TRP H A 94 GLN HGx 1.0 0.0 4.77 724 724 A 59 GLY H A 58 PHE HD% 1.0 0.0 8.20 725 725 A 73 HIS H A 73 HIS HD2 1.0 0.0 6.10 726 726 A 80 HIS HD2 A 81 THR H 1.0 0.0 6.10 727 727 A 115 PHE HD% A 99 ILE H 1.0 0.0 8.23 728 728 A 98 TYR HD% A 118 ILE H 1.0 0.0 8.23 729 729 A 97 TYR HD% A 119 GLY H 1.0 0.0 8.23 730 730 A 117 LEU HG A 119 GLY H 1.0 0.0 5.45 731 731 A 121 VAL H A 95 TRP HD1 1.0 0.0 6.10 732 732 A 134 HIS HD2 A 134 HIS H 1.0 0.0 6.10 733 733 A 162 TYR HD% A 163 GLN H 1.0 0.0 8.23 734 734 A 148 ILE HB A 165 ILE H 1.0 0.0 4.49 735 735 A 4 ILE HG2% A 5 GLU H 1.0 0.0 6.19 736 736 A 11 ALA H A 11 ALA HB% 1.0 0.0 4.17 737 737 A 12 ALA H A 12 ALA HB% 1.0 0.0 4.02 738 738 A 12 ALA H A 11 ALA HB% 1.0 0.0 4.89 739 739 A 13 LEU H A 12 ALA HB% 1.0 0.0 4.39 740 740 A 17 ALA H A 17 ALA HB% 1.0 0.0 4.02 741 741 A 18 PHE H A 17 ALA HB% 1.0 0.0 4.55 742 742 A 28 VAL H A 28 VAL HG2% 1.0 0.0 4.45 743 743 A 37 ALA HB% A 37 ALA H 1.0 0.0 4.73 744 744 A 37 ALA HB% A 38 LYS H 1.0 0.0 4.36 745 745 A 47 ALA H A 47 ALA HB% 1.0 0.0 4.39 746 746 A 48 ASP H A 47 ALA HB% 1.0 0.0 4.61 747 747 A 51 ILE HG2% A 51 ILE H 1.0 0.0 5.13 748 748 A 54 ALA H A 54 ALA HB% 1.0 0.0 4.45 749 749 A 55 GLY H A 54 ALA HB% 1.0 0.0 6.25 750 750 A 61 ILE H A 61 ILE HG2% 1.0 0.0 5.26 751 751 A 74 ILE H A 74 ILE HG2% 1.0 0.0 5.79 752 752 A 75 MET H A 74 ILE HG2% 1.0 0.0 4.61 753 753 A 76 THR HG2% A 76 THR H 1.0 0.0 5.91 754 754 A 76 THR HG2% A 77 GLY H 1.0 0.0 6.13 755 755 A 81 THR HG2% A 81 THR H 1.0 0.0 5.63 756 756 A 81 THR HG2% A 82 PHE H 1.0 0.0 4.92 757 757 A 83 THR HG2% A 83 THR H 1.0 0.0 5.32 758 758 A 83 THR HG2% A 84 TRP H 1.0 0.0 4.61 759 759 A 85 THR HG2% A 85 THR H 1.0 0.0 4.58 760 760 A 85 THR HG2% A 86 TYR H 1.0 0.0 5.97 761 761 A 87 THR HG2% A 87 THR H 1.0 0.0 5.79 762 762 A 92 THR HG2% A 92 THR H 1.0 0.0 7.12 763 763 A 92 THR HG2% A 93 SER H 1.0 0.0 5.01 764 764 A 99 ILE HG2% A 99 ILE H 1.0 0.0 4.51 765 765 A 100 THR HG2% A 100 THR H 1.0 0.0 4.67 766 766 A 99 ILE HG2% A 100 THR H 1.0 0.0 5.60 767 767 A 113 ALA HB% A 113 ALA H 1.0 0.0 4.36 768 768 A 113 ALA HB% A 114 ASP H 1.0 0.0 5.23 769 769 A 118 ILE HG2% A 118 ILE H 1.0 0.0 4.61 770 770 A 120 ALA HB% A 121 VAL H 1.0 0.0 4.67 771 771 A 136 ILE HG2% A 136 ILE H 1.0 0.0 6.41 772 772 A 136 ILE HG2% A 137 TYR H 1.0 0.0 4.86 773 773 A 138 ILE HG2% A 138 ILE H 1.0 0.0 6.62 774 774 A 143 LEU H A 143 LEU HD2% 1.0 0.0 5.82 775 775 A 143 LEU H A 143 LEU HD1% 1.0 0.0 5.82 776 776 A 144 GLY H A 143 LEU HD2% 1.0 0.0 6.03 777 777 A 144 GLY H A 143 LEU HD1% 1.0 0.0 6.03 778 778 A 147 VAL H A 147 VAL HG2% 1.0 0.0 5.69 779 779 A 148 ILE HG2% A 148 ILE H 1.0 0.0 4.79 780 780 A 148 ILE HG2% A 149 LEU H 1.0 0.0 5.01 781 781 A 154 VAL H A 154 VAL HG2% 1.0 0.0 6.72 782 782 A 156 ASP H A 155 ALA HB% 1.0 0.0 4.67 783 783 A 157 THR HG2% A 157 THR H 1.0 0.0 4.70 784 784 A 157 THR HG2% A 158 GLU H 1.0 0.0 5.91 785 785 A 160 ALA HB% A 161 PHE H 1.0 0.0 4.86 786 786 A 165 ILE HG2% A 165 ILE H 1.0 0.0 4.98 787 787 A 165 ILE HG2% A 166 ASP H 1.0 0.0 7.12 788 788 A 169 LEU H A 169 LEU HD2% 1.0 0.0 5.94 789 789 A 85 THR HG2% A 3 PHE H 1.0 0.0 5.94 790 790 A 4 ILE HG2% A 6 LYS H 1.0 0.0 4.02 791 791 A 19 GLY H A 17 ALA HB% 1.0 0.0 6.16 792 792 A 165 ILE HG2% A 71 PHE H 1.0 0.0 5.60 793 793 A 92 THR HG2% A 94 GLN H 1.0 0.0 5.60 794 794 A 172 LYS H A 143 LEU HD2% 1.0 0.0 7.12 795 795 A 100 THR HG2% A 147 VAL H 1.0 0.0 5.23 796 796 A 160 ALA HB% A 154 VAL H 1.0 0.0 6.10 797 797 A 51 ILE HD1% A 51 ILE H 1.0 0.0 4.98 798 798 A 51 ILE HD1% A 52 ALA H 1.0 0.0 5.66 799 799 A 4 ILE HD1% A 84 TRP HE1 1.0 0.0 5.54 800 800 A 92 THR HG2% A 152 TRP HE1 1.0 0.0 5.07 801 801 A 4 ILE HG2% A 83 THR H 1.0 0.0 5.04 802 802 A 57 LEU H A 54 ALA HB% 1.0 0.0 7.12 803 803 A 169 LEU H A 169 LEU HD1% 1.0 0.0 5.94 804 804 A 28 VAL H A 28 VAL HG1% 1.0 0.0 4.45 805 805 A 4 ILE HG2% A 4 ILE H 1.0 0.0 7.12 806 806 A 4 ILE HD1% A 4 ILE H 1.0 0.0 7.12 807 807 A 50 GLN H A 47 ALA HB% 1.0 0.0 5.85 808 808 A 51 ILE HG2% A 52 ALA H 1.0 0.0 5.60 809 809 A 118 ILE HG2% A 119 GLY H 1.0 0.0 5.38 810 810 A 129 SER H A 128 ALA HB% 1.0 0.0 7.12 811 811 A 147 VAL H A 147 VAL HG1% 1.0 0.0 5.69 812 812 A 154 VAL H A 154 VAL HG1% 1.0 0.0 6.72 813 813 A 172 LYS H A 143 LEU HD1% 1.0 0.0 7.12 814 814 A 150 ALA HB% A 163 GLN H 1.0 0.0 5.69 815 815 A 148 ILE HG2% A 98 TYR H 1.0 0.0 6.37 816 816 A 16 GLU H A 17 ALA HB% 1.0 0.0 6.50 817 817 A 61 ILE HD1% A 61 ILE H 1.0 0.0 4.92 818 818 A 118 ILE HG2% A 99 ILE H 1.0 0.0 5.13 819 819 A 136 ILE HD1% A 136 ILE H 1.0 0.0 6.28 820 820 A 136 ILE HD1% A 137 TYR H 1.0 0.0 5.88 821 821 A 138 ILE HD1% A 138 ILE H 1.0 0.0 6.07 822 822 A 150 ALA HB% A 151 VAL H 1.0 0.0 5.38 823 823 A 64 GLN H A 61 ILE HG2% 1.0 0.0 7.12 824 824 A 150 ALA HB% A 84 TRP HE1 1.0 0.0 7.12 825 825 A 87 THR HG2% A 88 ALA H 1.0 0.0 7.12 826 826 A 148 ILE HG2% A 165 ILE H 1.0 0.0 5.32 827 827 A 14 CYS SG A 25 CYS SG 1.0 0.0 2.70 828 828 A 14 CYS SG A 25 CYS CB 1.0 0.0 3.70 829 829 A 25 CYS SG A 14 CYS CB 1.0 0.0 3.70 830 830 A 2 GLY H A 1 HIS HBy 1.0 0.0 4.65 831 830 A 2 GLY H A 1 HIS HBx 1.0 0.0 4.65 832 831 A 2 GLY H A 33 GLN HGy 1.0 0.0 5.94 833 831 A 2 GLY H A 33 GLN HGx 1.0 0.0 5.94 834 832 A 3 PHE H A 2 GLY HAy 1.0 0.0 3.59 835 832 A 3 PHE H A 2 GLY HAx 1.0 0.0 3.59 836 833 A 3 PHE HD% A 2 GLY HAy 1.0 0.0 6.54 837 833 A 3 PHE HD% A 2 GLY HAx 1.0 0.0 6.54 838 834 A 86 TYR HA A 2 GLY HAy 1.0 0.0 3.65 839 834 A 86 TYR HA A 2 GLY HAx 1.0 0.0 3.65 840 835 A 3 PHE H A 84 TRP HBx 1.0 0.0 5.60 841 835 A 3 PHE H A 84 TRP HBy 1.0 0.0 5.60 842 836 A 3 PHE HA A 3 PHE HBy 1.0 0.0 3.18 843 836 A 3 PHE HA A 3 PHE HBx 1.0 0.0 3.18 844 837 A 4 ILE H A 3 PHE HBy 1.0 0.0 3.85 845 837 A 4 ILE H A 3 PHE HBx 1.0 0.0 3.85 846 838 A 4 ILE H A 4 ILE HG1y 1.0 0.0 4.91 847 838 A 4 ILE H A 4 ILE HG1x 1.0 0.0 4.91 848 839 A 5 GLU H A 5 GLU HBy 1.0 0.0 3.35 849 839 A 5 GLU H A 5 GLU HBx 1.0 0.0 3.35 850 840 A 5 GLU H A 5 GLU HGy 1.0 0.0 5.60 851 840 A 5 GLU H A 5 GLU HGx 1.0 0.0 5.60 852 841 A 6 LYS H A 5 GLU HBy 1.0 0.0 4.98 853 841 A 6 LYS H A 5 GLU HBx 1.0 0.0 4.98 854 842 A 83 THR H A 5 GLU HBy 1.0 0.0 5.94 855 842 A 83 THR H A 5 GLU HBx 1.0 0.0 5.94 856 843 A 6 LYS H A 5 GLU HGy 1.0 0.0 5.39 857 843 A 6 LYS H A 5 GLU HGx 1.0 0.0 5.39 858 844 A 8 GLY H A 6 LYS HBy 1.0 0.0 4.37 859 844 A 8 GLY H A 6 LYS HBx 1.0 0.0 4.37 860 845 A 8 GLY H A 6 LYS HGy 1.0 0.0 4.60 861 845 A 8 GLY H A 6 LYS HGx 1.0 0.0 4.60 862 846 A 8 GLY H A 7 PRO HBy 1.0 0.0 3.94 863 846 A 8 GLY H A 7 PRO HBx 1.0 0.0 3.94 864 847 A 73 HIS HD2 A 7 PRO HBy 1.0 0.0 5.94 865 847 A 73 HIS HD2 A 7 PRO HBx 1.0 0.0 5.94 866 848 A 82 PHE HA A 7 PRO HDy 1.0 0.0 4.37 867 848 A 82 PHE HA A 7 PRO HDx 1.0 0.0 4.37 868 849 A 82 PHE HD% A 7 PRO HDy 1.0 0.0 5.03 869 849 A 82 PHE HD% A 7 PRO HDx 1.0 0.0 5.03 870 850 A 83 THR H A 7 PRO HDy 1.0 0.0 4.81 871 850 A 83 THR H A 7 PRO HDx 1.0 0.0 4.81 872 851 A 9 SER H A 9 SER HB2 1.0 0.0 3.79 873 851 A 9 SER H A 9 SER HBy 1.0 0.0 3.79 874 852 A 10 ARG HA A 13 LEU HBy 1.0 0.0 4.75 875 852 A 10 ARG HA A 13 LEU HBx 1.0 0.0 4.75 876 853 A 12 ALA HA A 15 SER HBx 1.0 0.0 5.63 877 853 A 12 ALA HA A 15 SER HBy 1.0 0.0 5.63 878 854 A 13 LEU H A 13 LEU HBy 1.0 0.0 3.85 879 854 A 13 LEU H A 13 LEU HBx 1.0 0.0 3.85 880 855 A 13 LEU H A 13 LEU HD1% 1.0 0.0 6.24 881 855 A 13 LEU H A 13 LEU HD2% 1.0 0.0 6.24 882 856 A 13 LEU HA A 13 LEU HD1% 1.0 0.0 4.80 883 856 A 13 LEU HA A 13 LEU HD2% 1.0 0.0 4.80 884 857 A 14 CYS H A 13 LEU HBy 1.0 0.0 3.56 885 857 A 14 CYS H A 13 LEU HBx 1.0 0.0 3.56 886 858 A 73 HIS HE1 A 13 LEU HBy 1.0 0.0 5.94 887 858 A 13 LEU HBx A 73 HIS HE1 1.0 0.0 5.94 888 859 A 71 PHE HE% A 13 LEU HD1% 1.0 0.0 7.90 889 859 A 71 PHE HE% A 13 LEU HD2% 1.0 0.0 7.90 890 860 A 73 HIS HE1 A 13 LEU HD1% 1.0 0.0 4.19 891 860 A 13 LEU HD2% A 73 HIS HE1 1.0 0.0 4.19 892 861 A 74 ILE H A 13 LEU HD1% 1.0 0.0 5.74 893 861 A 74 ILE H A 13 LEU HD2% 1.0 0.0 5.74 894 862 A 15 SER HA A 15 SER HBx 1.0 0.0 3.08 895 862 A 15 SER HA A 15 SER HBy 1.0 0.0 3.08 896 863 A 16 GLU H A 16 GLU HBy 1.0 0.0 3.50 897 863 A 16 GLU H A 16 GLU HBx 1.0 0.0 3.50 898 864 A 18 PHE H A 16 GLU HBy 1.0 0.0 5.10 899 864 A 18 PHE H A 16 GLU HBx 1.0 0.0 5.10 900 865 A 19 GLY H A 16 GLU HBy 1.0 0.0 5.28 901 865 A 19 GLY H A 16 GLU HBx 1.0 0.0 5.28 902 866 A 21 LEU H A 16 GLU HBy 1.0 0.0 5.94 903 866 A 21 LEU H A 16 GLU HBx 1.0 0.0 5.94 904 867 A 22 ASN H A 16 GLU HBy 1.0 0.0 5.94 905 867 A 22 ASN H A 16 GLU HBx 1.0 0.0 5.94 906 868 A 19 GLY H A 18 PHE HBy 1.0 0.0 4.43 907 868 A 19 GLY H A 18 PHE HBx 1.0 0.0 4.43 908 869 A 20 PHE H A 18 PHE HBy 1.0 0.0 4.78 909 869 A 20 PHE H A 18 PHE HBx 1.0 0.0 4.78 910 870 A 19 GLY H A 19 GLY HAy 1.0 0.0 2.90 911 870 A 19 GLY H A 19 GLY HAx 1.0 0.0 2.90 912 871 A 20 PHE H A 19 GLY HAy 1.0 0.0 3.58 913 871 A 20 PHE H A 19 GLY HAx 1.0 0.0 3.58 914 872 A 21 LEU H A 20 PHE HBy 1.0 0.0 4.48 915 872 A 21 LEU H A 20 PHE HBx 1.0 0.0 4.48 916 873 A 22 ASN H A 21 LEU HBy 1.0 0.0 3.95 917 873 A 22 ASN H A 21 LEU HBx 1.0 0.0 3.95 918 874 A 22 ASN H A 21 LEU HD1% 1.0 0.0 7.02 919 874 A 22 ASN H A 21 LEU HD2% 1.0 0.0 7.02 920 875 A 22 ASN H A 22 ASN HB2 1.0 0.0 3.61 921 875 A 22 ASN H A 22 ASN HBy 1.0 0.0 3.61 922 876 A 22 ASN HBy A 22 ASN HD22 1.0 0.0 3.83 923 876 A 22 ASN HD21 A 22 ASN HB2 1.0 0.0 3.83 924 876 A 22 ASN HBy A 22 ASN HD21 1.0 0.0 3.83 925 876 A 22 ASN HB2 A 22 ASN HD22 1.0 0.0 3.83 926 877 A 23 LEU H A 22 ASN HB2 1.0 0.0 3.62 927 877 A 23 LEU H A 22 ASN HBy 1.0 0.0 3.62 928 878 A 24 ASN H A 24 ASN HBx 1.0 0.0 4.02 929 878 A 24 ASN H A 24 ASN HBy 1.0 0.0 4.02 930 879 A 25 CYS H A 24 ASN HBx 1.0 0.0 4.71 931 879 A 25 CYS H A 24 ASN HBy 1.0 0.0 4.71 932 880 A 26 GLY H A 25 CYS HBx 1.0 0.0 3.85 933 880 A 26 GLY H A 25 CYS HBy 1.0 0.0 3.85 934 881 A 28 VAL H A 28 VAL HG2% 1.0 0.0 3.94 935 881 A 28 VAL H A 28 VAL HG1% 1.0 0.0 3.94 936 882 A 29 MET H A 28 VAL HG2% 1.0 0.0 4.07 937 882 A 29 MET H A 28 VAL HG1% 1.0 0.0 4.07 938 883 A 30 TYR H A 28 VAL HG2% 1.0 0.0 4.86 939 883 A 30 TYR H A 28 VAL HG1% 1.0 0.0 4.86 940 884 A 28 VAL HG2% A 68 ASN HBx 1.0 0.0 5.20 941 884 A 68 ASN HBy A 28 VAL HG2% 1.0 0.0 5.20 942 884 A 28 VAL HG1% A 68 ASN HBy 1.0 0.0 5.20 943 884 A 28 VAL HG1% A 68 ASN HBx 1.0 0.0 5.20 944 885 A 29 MET H A 29 MET HBy 1.0 0.0 3.28 945 885 A 29 MET H A 29 MET HBx 1.0 0.0 3.28 946 886 A 29 MET H A 29 MET HG2 1.0 0.0 3.02 947 886 A 29 MET H A 29 MET HGy 1.0 0.0 3.02 948 887 A 30 TYR H A 29 MET HG2 1.0 0.0 4.43 949 887 A 30 TYR H A 29 MET HGy 1.0 0.0 4.43 950 888 A 34 SER H A 31 GLU HBy 1.0 0.0 4.98 951 888 A 34 SER H A 31 GLU HBx 1.0 0.0 4.98 952 889 A 33 GLN H A 32 PRO HDy 1.0 0.0 5.16 953 889 A 33 GLN H A 32 PRO HDx 1.0 0.0 5.16 954 890 A 33 GLN H A 33 GLN HBy 1.0 0.0 3.48 955 890 A 33 GLN H A 33 GLN HBx 1.0 0.0 3.48 956 891 A 34 SER H A 33 GLN HBy 1.0 0.0 4.81 957 891 A 34 SER H A 33 GLN HBx 1.0 0.0 4.81 958 892 A 33 GLN HE21 A 33 GLN HGy 1.0 0.0 3.82 959 892 A 33 GLN HE22 A 33 GLN HGy 1.0 0.0 3.82 960 892 A 33 GLN HGx A 33 GLN HE21 1.0 0.0 3.82 961 892 A 33 GLN HGx A 33 GLN HE22 1.0 0.0 3.82 962 893 A 86 TYR HE% A 33 GLN HGy 1.0 0.0 6.26 963 893 A 33 GLN HGx A 86 TYR HE% 1.0 0.0 6.26 964 894 A 35 LEU H A 35 LEU HBy 1.0 0.0 3.38 965 894 A 35 LEU H A 35 LEU HBx 1.0 0.0 3.38 966 895 A 35 LEU H A 35 LEU HD1% 1.0 0.0 6.45 967 895 A 35 LEU H A 35 LEU HD2% 1.0 0.0 6.45 968 896 A 35 LEU HA A 35 LEU HD1% 1.0 0.0 4.04 969 896 A 35 LEU HA A 35 LEU HD2% 1.0 0.0 4.04 970 897 A 161 PHE HE% A 35 LEU HD1% 1.0 0.0 9.04 971 897 A 35 LEU HD2% A 161 PHE HE% 1.0 0.0 9.04 972 898 A 163 GLN HA A 35 LEU HD1% 1.0 0.0 4.01 973 898 A 163 GLN HA A 35 LEU HD2% 1.0 0.0 4.01 974 899 A 36 GLU H A 36 GLU HBy 1.0 0.0 3.30 975 899 A 36 GLU H A 36 GLU HBx 1.0 0.0 3.30 976 900 A 37 ALA H A 36 GLU HBy 1.0 0.0 3.88 977 900 A 37 ALA H A 36 GLU HBx 1.0 0.0 3.88 978 901 A 39 LYS H A 39 LYS HBy 1.0 0.0 3.42 979 901 A 39 LYS H A 39 LYS HBx 1.0 0.0 3.42 980 902 A 40 GLY H A 39 LYS HBy 1.0 0.0 3.50 981 902 A 40 GLY H A 39 LYS HBx 1.0 0.0 3.50 982 903 A 41 PHE HD% A 40 GLY HAy 1.0 0.0 5.03 983 903 A 41 PHE HD% A 40 GLY HAx 1.0 0.0 5.03 984 904 A 41 PHE HD% A 43 HIS HB2 1.0 0.0 5.50 985 904 A 41 PHE HD% A 43 HIS HBy 1.0 0.0 5.50 986 905 A 43 HIS H A 42 PRO HDy 1.0 0.0 5.45 987 905 A 43 HIS H A 42 PRO HDx 1.0 0.0 5.45 988 906 A 43 HIS H A 43 HIS HB2 1.0 0.0 4.24 989 906 A 43 HIS H A 43 HIS HBy 1.0 0.0 4.24 990 907 A 44 SER H A 43 HIS HB2 1.0 0.0 3.77 991 907 A 44 SER H A 43 HIS HBy 1.0 0.0 3.77 992 908 A 44 SER H A 44 SER HB2 1.0 0.0 4.11 993 908 A 44 SER H A 44 SER HBy 1.0 0.0 4.11 994 909 A 45 GLY H A 44 SER HB2 1.0 0.0 3.20 995 909 A 45 GLY H A 44 SER HBy 1.0 0.0 3.20 996 910 A 45 GLY H A 45 GLY HAy 1.0 0.0 2.89 997 910 A 45 GLY H A 45 GLY HAx 1.0 0.0 2.89 998 911 A 45 GLY HAy A 46 PRO HDy 1.0 0.0 3.37 999 911 A 45 GLY HAx A 46 PRO HDy 1.0 0.0 3.37 1000 911 A 46 PRO HDx A 45 GLY HAy 1.0 0.0 3.37 1001 911 A 45 GLY HAx A 46 PRO HDx 1.0 0.0 3.37 1002 912 A 47 ALA H A 46 PRO HBy 1.0 0.0 3.91 1003 912 A 47 ALA H A 46 PRO HBx 1.0 0.0 3.91 1004 913 A 47 ALA HB% A 50 GLN HE21 1.0 0.0 6.89 1005 913 A 47 ALA HB% A 50 GLN HE22 1.0 0.0 6.89 1006 914 A 47 ALA HB% A 56 GLY HAy 1.0 0.0 5.53 1007 914 A 47 ALA HB% A 56 GLY HAx 1.0 0.0 5.53 1008 915 A 48 ASP H A 48 ASP HB2 1.0 0.0 3.39 1009 915 A 48 ASP H A 48 ASP HBy 1.0 0.0 3.39 1010 916 A 48 ASP HA A 48 ASP HB2 1.0 0.0 2.98 1011 916 A 48 ASP HA A 48 ASP HBy 1.0 0.0 2.98 1012 917 A 49 GLY H A 48 ASP HB2 1.0 0.0 4.21 1013 917 A 49 GLY H A 48 ASP HBy 1.0 0.0 4.21 1014 918 A 49 GLY H A 49 GLY HAy 1.0 0.0 2.90 1015 918 A 49 GLY H A 49 GLY HAx 1.0 0.0 2.90 1016 919 A 50 GLN H A 49 GLY HAy 1.0 0.0 3.66 1017 919 A 50 GLN H A 49 GLY HAx 1.0 0.0 3.66 1018 920 A 162 TYR HE% A 49 GLY HAy 1.0 0.0 5.68 1019 920 A 162 TYR HE% A 49 GLY HAx 1.0 0.0 5.68 1020 921 A 50 GLN H A 50 GLN HBy 1.0 0.0 3.31 1021 921 A 50 GLN H A 50 GLN HBx 1.0 0.0 3.31 1022 922 A 50 GLN H A 50 GLN HG2 1.0 0.0 5.94 1023 922 A 50 GLN H A 50 GLN HGy 1.0 0.0 5.94 1024 923 A 51 ILE H A 50 GLN HBy 1.0 0.0 4.72 1025 923 A 51 ILE H A 50 GLN HBx 1.0 0.0 4.72 1026 924 A 51 ILE H A 51 ILE HG12 1.0 0.0 3.35 1027 924 A 51 ILE H A 51 ILE HG1y 1.0 0.0 3.35 1028 925 A 53 SER H A 53 SER HBy 1.0 0.0 3.58 1029 925 A 53 SER H A 53 SER HBx 1.0 0.0 3.58 1030 926 A 53 SER HA A 53 SER HBy 1.0 0.0 2.91 1031 926 A 53 SER HA A 53 SER HBx 1.0 0.0 2.91 1032 927 A 56 GLY H A 55 GLY HAy 1.0 0.0 3.69 1033 927 A 56 GLY H A 55 GLY HAx 1.0 0.0 3.69 1034 928 A 57 LEU H A 56 GLY HAy 1.0 0.0 3.56 1035 928 A 57 LEU H A 56 GLY HAx 1.0 0.0 3.56 1036 929 A 57 LEU HA A 57 LEU HBy 1.0 0.0 3.21 1037 929 A 57 LEU HA A 57 LEU HBx 1.0 0.0 3.21 1038 930 A 57 LEU HA A 57 LEU HD1% 1.0 0.0 4.01 1039 930 A 57 LEU HA A 57 LEU HD2% 1.0 0.0 4.01 1040 931 A 58 PHE H A 57 LEU HBy 1.0 0.0 3.68 1041 931 A 58 PHE H A 57 LEU HBx 1.0 0.0 3.68 1042 932 A 59 GLY H A 57 LEU HBy 1.0 0.0 4.93 1043 932 A 59 GLY H A 57 LEU HBx 1.0 0.0 4.93 1044 933 A 60 GLY H A 57 LEU HBy 1.0 0.0 5.94 1045 933 A 60 GLY H A 57 LEU HBx 1.0 0.0 5.94 1046 934 A 58 PHE HZ A 111 LYS HEy 1.0 0.0 5.22 1047 934 A 58 PHE HZ A 111 LYS HEx 1.0 0.0 5.22 1048 935 A 59 GLY H A 59 GLY HAy 1.0 0.0 2.94 1049 935 A 59 GLY H A 59 GLY HAx 1.0 0.0 2.94 1050 936 A 60 GLY H A 59 GLY HAy 1.0 0.0 3.61 1051 936 A 60 GLY H A 59 GLY HAx 1.0 0.0 3.61 1052 937 A 60 GLY HAx A 63 ASP HBx 1.0 0.0 3.67 1053 937 A 60 GLY HAy A 63 ASP HBx 1.0 0.0 3.67 1054 937 A 63 ASP HBy A 60 GLY HAy 1.0 0.0 3.67 1055 937 A 60 GLY HAx A 63 ASP HBy 1.0 0.0 3.67 1056 938 A 61 ILE HA A 64 GLN HE21 1.0 0.0 5.65 1057 938 A 61 ILE HA A 64 GLN HE22 1.0 0.0 5.65 1058 939 A 61 ILE HG2% A 64 GLN HE21 1.0 0.0 6.89 1059 939 A 61 ILE HG2% A 64 GLN HE22 1.0 0.0 6.89 1060 940 A 61 ILE HD1% A 64 GLN HE21 1.0 0.0 6.42 1061 940 A 61 ILE HD1% A 64 GLN HE22 1.0 0.0 6.42 1062 941 A 62 LEU H A 62 LEU HD1% 1.0 0.0 6.16 1063 941 A 62 LEU H A 62 LEU HD2% 1.0 0.0 6.16 1064 942 A 62 LEU HA A 62 LEU HD1% 1.0 0.0 4.01 1065 942 A 62 LEU HA A 62 LEU HD2% 1.0 0.0 4.01 1066 943 A 62 LEU HG A 62 LEU HBy 1.0 0.0 3.07 1067 943 A 62 LEU HG A 62 LEU HBx 1.0 0.0 3.07 1068 944 A 63 ASP H A 62 LEU HBy 1.0 0.0 3.53 1069 944 A 63 ASP H A 62 LEU HBx 1.0 0.0 3.53 1070 945 A 64 GLN H A 63 ASP HBx 1.0 0.0 4.13 1071 945 A 64 GLN H A 63 ASP HBy 1.0 0.0 4.13 1072 946 A 65 GLN H A 65 GLN HBy 1.0 0.0 3.76 1073 946 A 65 GLN H A 65 GLN HBx 1.0 0.0 3.76 1074 947 A 66 SER H A 66 SER HBy 1.0 0.0 3.68 1075 947 A 66 SER H A 66 SER HBx 1.0 0.0 3.68 1076 948 A 66 SER H A 69 ARG HGy 1.0 0.0 5.77 1077 948 A 66 SER H A 69 ARG HGx 1.0 0.0 5.77 1078 949 A 66 SER HA A 66 SER HBy 1.0 0.0 3.11 1079 949 A 66 SER HA A 66 SER HBx 1.0 0.0 3.11 1080 950 A 69 ARG H A 66 SER HBy 1.0 0.0 4.37 1081 950 A 69 ARG H A 66 SER HBx 1.0 0.0 4.37 1082 951 A 67 GLU H A 67 GLU HGy 1.0 0.0 5.54 1083 951 A 67 GLU H A 67 GLU HGx 1.0 0.0 5.54 1084 952 A 68 ASN H A 67 GLU HBy 1.0 0.0 3.53 1085 952 A 68 ASN H A 67 GLU HBx 1.0 0.0 3.53 1086 953 A 68 ASN H A 68 ASN HBx 1.0 0.0 3.76 1087 953 A 68 ASN H A 68 ASN HBy 1.0 0.0 3.76 1088 954 A 69 ARG H A 68 ASN HBx 1.0 0.0 4.75 1089 954 A 69 ARG H A 68 ASN HBy 1.0 0.0 4.75 1090 955 A 69 ARG H A 69 ARG HBx 1.0 0.0 2.92 1091 955 A 69 ARG H A 69 ARG HBy 1.0 0.0 2.92 1092 956 A 69 ARG H A 69 ARG HGy 1.0 0.0 5.25 1093 956 A 69 ARG H A 69 ARG HGx 1.0 0.0 5.25 1094 957 A 70 TRP HD1 A 69 ARG HBx 1.0 0.0 5.94 1095 957 A 70 TRP HD1 A 69 ARG HBy 1.0 0.0 5.94 1096 958 A 70 TRP H A 70 TRP HBx 1.0 0.0 3.74 1097 958 A 70 TRP H A 70 TRP HBy 1.0 0.0 3.74 1098 959 A 70 TRP HD1 A 164 VAL HG2% 1.0 0.0 7.02 1099 959 A 70 TRP HD1 A 164 VAL HG1% 1.0 0.0 7.02 1100 960 A 70 TRP HE1 A 164 VAL HG2% 1.0 0.0 7.02 1101 960 A 164 VAL HG1% A 70 TRP HE1 1.0 0.0 7.02 1102 961 A 71 PHE HE% A 73 HIS HB2 1.0 0.0 5.12 1103 961 A 71 PHE HE% A 73 HIS HBy 1.0 0.0 5.12 1104 962 A 72 LYS H A 72 LYS HB2 1.0 0.0 2.99 1105 962 A 72 LYS H A 72 LYS HBy 1.0 0.0 2.99 1106 963 A 73 HIS H A 72 LYS HB2 1.0 0.0 4.21 1107 963 A 73 HIS H A 72 LYS HBy 1.0 0.0 4.21 1108 964 A 73 HIS H A 73 HIS HB2 1.0 0.0 3.53 1109 964 A 73 HIS H A 73 HIS HBy 1.0 0.0 3.53 1110 965 A 73 HIS HA A 73 HIS HB2 1.0 0.0 2.94 1111 965 A 73 HIS HBy A 73 HIS HA 1.0 0.0 2.94 1112 966 A 74 ILE H A 74 ILE HG1y 1.0 0.0 5.94 1113 966 A 74 ILE H A 74 ILE HG1x 1.0 0.0 5.94 1114 967 A 75 MET H A 74 ILE HG1y 1.0 0.0 5.10 1115 967 A 75 MET H A 74 ILE HG1x 1.0 0.0 5.10 1116 968 A 168 ASP H A 74 ILE HG1y 1.0 0.0 4.89 1117 968 A 168 ASP H A 74 ILE HG1x 1.0 0.0 4.89 1118 969 A 75 MET H A 75 MET HBy 1.0 0.0 3.37 1119 969 A 75 MET H A 75 MET HBx 1.0 0.0 3.37 1120 970 A 75 MET H A 168 ASP HBx 1.0 0.0 5.28 1121 970 A 75 MET H A 168 ASP HBy 1.0 0.0 5.28 1122 971 A 75 MET H A 169 LEU HD1% 1.0 0.0 5.07 1123 971 A 75 MET H A 169 LEU HD2% 1.0 0.0 5.07 1124 972 A 80 HIS HE1 A 75 MET HBy 1.0 0.0 4.16 1125 972 A 80 HIS HE1 A 75 MET HBx 1.0 0.0 4.16 1126 973 A 76 THR HG2% A 170 VAL HG2% 1.0 0.0 5.01 1127 973 A 76 THR HG2% A 170 VAL HG1% 1.0 0.0 5.01 1128 974 A 77 GLY H A 169 LEU HD1% 1.0 0.0 6.24 1129 974 A 77 GLY H A 169 LEU HD2% 1.0 0.0 6.24 1130 975 A 78 GLY H A 77 GLY HAy 1.0 0.0 3.59 1131 975 A 78 GLY H A 77 GLY HAx 1.0 0.0 3.59 1132 976 A 79 GLU H A 78 GLY HAy 1.0 0.0 3.01 1133 976 A 79 GLU H A 78 GLY HAx 1.0 0.0 3.01 1134 977 A 137 TYR HE% A 78 GLY HAy 1.0 0.0 4.85 1135 977 A 137 TYR HE% A 78 GLY HAx 1.0 0.0 4.85 1136 978 A 79 GLU H A 79 GLU HBy 1.0 0.0 2.99 1137 978 A 79 GLU H A 79 GLU HBx 1.0 0.0 2.99 1138 979 A 79 GLU H A 79 GLU HGy 1.0 0.0 4.86 1139 979 A 79 GLU H A 79 GLU HGx 1.0 0.0 4.86 1140 980 A 80 HIS H A 79 GLU HBy 1.0 0.0 4.42 1141 980 A 80 HIS H A 79 GLU HBx 1.0 0.0 4.42 1142 981 A 80 HIS H A 79 GLU HGy 1.0 0.0 5.94 1143 981 A 80 HIS H A 79 GLU HGx 1.0 0.0 5.94 1144 982 A 137 TYR HE% A 79 GLU HGy 1.0 0.0 5.97 1145 982 A 137 TYR HE% A 79 GLU HGx 1.0 0.0 5.97 1146 983 A 81 THR H A 80 HIS HBx 1.0 0.0 3.42 1147 983 A 81 THR H A 80 HIS HBy 1.0 0.0 3.42 1148 984 A 80 HIS HD2 A 138 ILE HG1y 1.0 0.0 5.94 1149 984 A 80 HIS HD2 A 138 ILE HG1x 1.0 0.0 5.94 1150 985 A 81 THR HG2% A 133 SER HBx 1.0 0.0 4.06 1151 985 A 81 THR HG2% A 133 SER HBy 1.0 0.0 4.06 1152 986 A 134 HIS H A 82 PHE HBy 1.0 0.0 5.94 1153 986 A 134 HIS H A 82 PHE HBx 1.0 0.0 5.94 1154 987 A 82 PHE HD% A 136 ILE HG1y 1.0 0.0 5.03 1155 987 A 82 PHE HD% A 136 ILE HG1x 1.0 0.0 5.03 1156 988 A 85 THR H A 84 TRP HBx 1.0 0.0 3.60 1157 988 A 85 THR H A 84 TRP HBy 1.0 0.0 3.60 1158 989 A 86 TYR H A 86 TYR HB2 1.0 0.0 3.31 1159 989 A 86 TYR H A 86 TYR HBy 1.0 0.0 3.31 1160 990 A 87 THR H A 86 TYR HB2 1.0 0.0 4.10 1161 990 A 87 THR H A 86 TYR HBy 1.0 0.0 4.10 1162 991 A 90 HIS HA A 90 HIS HBx 1.0 0.0 3.14 1163 991 A 90 HIS HA A 90 HIS HBy 1.0 0.0 3.14 1164 992 A 91 ASN H A 90 HIS HBx 1.0 0.0 4.27 1165 992 A 91 ASN H A 90 HIS HBy 1.0 0.0 4.27 1166 993 A 90 HIS HD2 A 154 VAL HG2% 1.0 0.0 7.02 1167 993 A 90 HIS HD2 A 154 VAL HG1% 1.0 0.0 7.02 1168 994 A 90 HIS HE1 A 154 VAL HG2% 1.0 0.0 6.36 1169 994 A 154 VAL HG1% A 90 HIS HE1 1.0 0.0 6.36 1170 995 A 91 ASN H A 91 ASN HBx 1.0 0.0 3.94 1171 995 A 91 ASN H A 91 ASN HBy 1.0 0.0 3.94 1172 996 A 93 SER H A 93 SER HBx 1.0 0.0 3.45 1173 996 A 93 SER H A 93 SER HBy 1.0 0.0 3.45 1174 997 A 93 SER HA A 93 SER HBx 1.0 0.0 2.94 1175 997 A 93 SER HA A 93 SER HBy 1.0 0.0 2.94 1176 998 A 94 GLN H A 93 SER HBx 1.0 0.0 4.57 1177 998 A 94 GLN H A 93 SER HBy 1.0 0.0 4.57 1178 999 A 155 ALA HB% A 93 SER HBx 1.0 0.0 4.30 1179 999 A 155 ALA HB% A 93 SER HBy 1.0 0.0 4.30 1180 1000 A 94 GLN HA A 94 GLN HBy 1.0 0.0 3.02 1181 1000 A 94 GLN HA A 94 GLN HBx 1.0 0.0 3.02 1182 1001 A 94 GLN HBy A 94 GLN HGy 1.0 0.0 2.78 1183 1001 A 94 GLN HBx A 94 GLN HGy 1.0 0.0 2.78 1184 1001 A 94 GLN HGx A 94 GLN HBy 1.0 0.0 2.78 1185 1001 A 94 GLN HBx A 94 GLN HGx 1.0 0.0 2.78 1186 1002 A 95 TRP H A 94 GLN HBy 1.0 0.0 4.48 1187 1002 A 95 TRP H A 94 GLN HBx 1.0 0.0 4.48 1188 1003 A 95 TRP H A 94 GLN HGy 1.0 0.0 4.06 1189 1003 A 95 TRP H A 94 GLN HGx 1.0 0.0 4.06 1190 1004 A 96 HIS HD2 A 94 GLN HGy 1.0 0.0 5.94 1191 1004 A 96 HIS HD2 A 94 GLN HGx 1.0 0.0 5.94 1192 1005 A 95 TRP H A 95 TRP HBy 1.0 0.0 3.74 1193 1005 A 95 TRP H A 95 TRP HBx 1.0 0.0 3.74 1194 1006 A 95 TRP H A 122 PRO HBy 1.0 0.0 4.78 1195 1006 A 95 TRP H A 122 PRO HBx 1.0 0.0 4.78 1196 1007 A 96 HIS H A 95 TRP HBy 1.0 0.0 4.33 1197 1007 A 96 HIS H A 95 TRP HBx 1.0 0.0 4.33 1198 1008 A 152 TRP HD1 A 95 TRP HBy 1.0 0.0 5.94 1199 1008 A 95 TRP HBx A 152 TRP HD1 1.0 0.0 5.94 1200 1009 A 95 TRP HD1 A 132 LEU HD1% 1.0 0.0 5.44 1201 1009 A 95 TRP HD1 A 132 LEU HD2% 1.0 0.0 5.44 1202 1010 A 95 TRP HE1 A 121 VAL HG1% 1.0 0.0 7.02 1203 1010 A 95 TRP HE1 A 121 VAL HG2% 1.0 0.0 7.02 1204 1011 A 95 TRP HZ3 A 132 LEU HD1% 1.0 0.0 4.01 1205 1011 A 132 LEU HD2% A 95 TRP HZ3 1.0 0.0 4.01 1206 1012 A 96 HIS H A 96 HIS HBx 1.0 0.0 3.71 1207 1012 A 96 HIS H A 96 HIS HBy 1.0 0.0 3.71 1208 1013 A 96 HIS H A 151 VAL HG2% 1.0 0.0 7.02 1209 1013 A 96 HIS H A 151 VAL HG1% 1.0 0.0 7.02 1210 1014 A 96 HIS HA A 121 VAL HG1% 1.0 0.0 5.31 1211 1014 A 96 HIS HA A 121 VAL HG2% 1.0 0.0 5.31 1212 1015 A 96 HIS HD2 A 151 VAL HG2% 1.0 0.0 7.02 1213 1015 A 96 HIS HD2 A 151 VAL HG1% 1.0 0.0 7.02 1214 1016 A 96 HIS HE1 A 151 VAL HG2% 1.0 0.0 5.31 1215 1016 A 151 VAL HG1% A 96 HIS HE1 1.0 0.0 5.31 1216 1017 A 97 TYR HD% A 121 VAL HG1% 1.0 0.0 6.20 1217 1017 A 97 TYR HD% A 121 VAL HG2% 1.0 0.0 6.20 1218 1018 A 97 TYR HE% A 121 VAL HG1% 1.0 0.0 6.36 1219 1018 A 97 TYR HE% A 121 VAL HG2% 1.0 0.0 6.36 1220 1019 A 97 TYR HE% A 134 HIS HBy 1.0 0.0 5.27 1221 1019 A 97 TYR HE% A 134 HIS HBx 1.0 0.0 5.27 1222 1020 A 98 TYR H A 98 TYR HBy 1.0 0.0 4.15 1223 1020 A 98 TYR H A 98 TYR HBx 1.0 0.0 4.15 1224 1021 A 98 TYR H A 149 LEU HBy 1.0 0.0 5.31 1225 1021 A 98 TYR H A 149 LEU HBx 1.0 0.0 5.31 1226 1022 A 98 TYR H A 149 LEU HD1% 1.0 0.0 7.02 1227 1022 A 98 TYR H A 149 LEU HD2% 1.0 0.0 7.02 1228 1023 A 98 TYR HA A 117 LEU HD1% 1.0 0.0 5.41 1229 1023 A 98 TYR HA A 117 LEU HD2% 1.0 0.0 5.41 1230 1024 A 99 ILE H A 98 TYR HBy 1.0 0.0 3.46 1231 1024 A 99 ILE H A 98 TYR HBx 1.0 0.0 3.46 1232 1025 A 149 LEU H A 98 TYR HBy 1.0 0.0 5.09 1233 1025 A 149 LEU H A 98 TYR HBx 1.0 0.0 5.09 1234 1026 A 98 TYR HD% A 149 LEU HD1% 1.0 0.0 8.08 1235 1026 A 98 TYR HD% A 149 LEU HD2% 1.0 0.0 8.08 1236 1027 A 98 TYR HD% A 151 VAL HG2% 1.0 0.0 7.04 1237 1027 A 98 TYR HD% A 151 VAL HG1% 1.0 0.0 7.04 1238 1028 A 98 TYR HE% A 149 LEU HD1% 1.0 0.0 8.60 1239 1028 A 149 LEU HD2% A 98 TYR HE% 1.0 0.0 8.60 1240 1029 A 98 TYR HE% A 151 VAL HG2% 1.0 0.0 7.07 1241 1029 A 151 VAL HG1% A 98 TYR HE% 1.0 0.0 7.07 1242 1030 A 99 ILE H A 115 PHE HB2 1.0 0.0 5.33 1243 1030 A 99 ILE H A 115 PHE HBy 1.0 0.0 5.33 1244 1031 A 99 ILE H A 116 GLU HBy 1.0 0.0 5.94 1245 1031 A 99 ILE H A 116 GLU HBx 1.0 0.0 5.94 1246 1032 A 99 ILE HA A 99 ILE HG12 1.0 0.0 4.29 1247 1032 A 99 ILE HA A 99 ILE HG1y 1.0 0.0 4.29 1248 1033 A 99 ILE HG2% A 99 ILE HG12 1.0 0.0 3.89 1249 1033 A 99 ILE HG2% A 99 ILE HG1y 1.0 0.0 3.89 1250 1034 A 118 ILE HG2% A 99 ILE HG12 1.0 0.0 3.98 1251 1034 A 118 ILE HG2% A 99 ILE HG1y 1.0 0.0 3.98 1252 1035 A 100 THR H A 147 VAL HG2% 1.0 0.0 6.43 1253 1035 A 100 THR H A 147 VAL HG1% 1.0 0.0 6.43 1254 1036 A 100 THR HG2% A 147 VAL HG2% 1.0 0.0 5.37 1255 1036 A 100 THR HG2% A 147 VAL HG1% 1.0 0.0 5.37 1256 1037 A 102 LYS H A 102 LYS HBy 1.0 0.0 3.56 1257 1037 A 102 LYS H A 102 LYS HBx 1.0 0.0 3.56 1258 1038 A 104 TRP HD1 A 103 GLY HAy 1.0 0.0 5.94 1259 1038 A 104 TRP HD1 A 103 GLY HAx 1.0 0.0 5.94 1260 1039 A 105 ASP H A 104 TRP HBx 1.0 0.0 3.17 1261 1039 A 105 ASP H A 104 TRP HBy 1.0 0.0 3.17 1262 1040 A 104 TRP HZ2 A 110 LEU HD1% 1.0 0.0 4.56 1263 1040 A 104 TRP HZ2 A 110 LEU HD2% 1.0 0.0 4.56 1264 1041 A 104 TRP HH2 A 110 LEU HD1% 1.0 0.0 4.43 1265 1041 A 110 LEU HD2% A 104 TRP HH2 1.0 0.0 4.43 1266 1042 A 105 ASP H A 105 ASP HBx 1.0 0.0 3.52 1267 1042 A 105 ASP H A 105 ASP HBy 1.0 0.0 3.52 1268 1043 A 107 ASP H A 106 PRO HBy 1.0 0.0 3.63 1269 1043 A 107 ASP H A 106 PRO HBx 1.0 0.0 3.63 1270 1044 A 108 LYS H A 106 PRO HBy 1.0 0.0 5.45 1271 1044 A 108 LYS H A 106 PRO HBx 1.0 0.0 5.45 1272 1045 A 108 LYS H A 108 LYS HBy 1.0 0.0 3.75 1273 1045 A 108 LYS H A 108 LYS HBx 1.0 0.0 3.75 1274 1046 A 108 LYS HA A 109 PRO HDx 1.0 0.0 3.25 1275 1046 A 108 LYS HA A 109 PRO HDy 1.0 0.0 3.25 1276 1047 A 108 LYS HEy A 108 LYS HG2 1.0 0.0 2.96 1277 1047 A 108 LYS HGy A 108 LYS HE2 1.0 0.0 2.96 1278 1047 A 108 LYS HGy A 108 LYS HEy 1.0 0.0 2.96 1279 1047 A 108 LYS HE2 A 108 LYS HG2 1.0 0.0 2.96 1280 1048 A 110 LEU H A 110 LEU HD1% 1.0 0.0 4.13 1281 1048 A 110 LEU H A 110 LEU HD2% 1.0 0.0 4.13 1282 1049 A 111 LYS H A 110 LEU HB2 1.0 0.0 3.73 1283 1049 A 111 LYS H A 110 LEU HBy 1.0 0.0 3.73 1284 1050 A 111 LYS H A 110 LEU HD1% 1.0 0.0 6.87 1285 1050 A 111 LYS H A 110 LEU HD2% 1.0 0.0 6.87 1286 1051 A 111 LYS H A 111 LYS HB2 1.0 0.0 3.79 1287 1051 A 111 LYS H A 111 LYS HBy 1.0 0.0 3.79 1288 1052 A 111 LYS H A 111 LYS HEy 1.0 0.0 5.33 1289 1052 A 111 LYS H A 111 LYS HEx 1.0 0.0 5.33 1290 1053 A 111 LYS HA A 111 LYS HB2 1.0 0.0 3.24 1291 1053 A 111 LYS HA A 111 LYS HBy 1.0 0.0 3.24 1292 1054 A 112 ARG H A 111 LYS HEy 1.0 0.0 5.71 1293 1054 A 112 ARG H A 111 LYS HEx 1.0 0.0 5.71 1294 1055 A 112 ARG H A 112 ARG HDy 1.0 0.0 5.43 1295 1055 A 112 ARG H A 112 ARG HD2 1.0 0.0 5.43 1296 1056 A 113 ALA H A 112 ARG HGy 1.0 0.0 4.89 1297 1056 A 113 ALA H A 112 ARG HGx 1.0 0.0 4.89 1298 1057 A 114 ASP H A 114 ASP HBx 1.0 0.0 3.48 1299 1057 A 114 ASP H A 114 ASP HBy 1.0 0.0 3.48 1300 1058 A 115 PHE HD% A 114 ASP HBx 1.0 0.0 5.73 1301 1058 A 115 PHE HD% A 114 ASP HBy 1.0 0.0 5.73 1302 1059 A 115 PHE H A 115 PHE HB2 1.0 0.0 3.17 1303 1059 A 115 PHE H A 115 PHE HBy 1.0 0.0 3.17 1304 1060 A 116 GLU H A 115 PHE HB2 1.0 0.0 5.04 1305 1060 A 116 GLU H A 115 PHE HBy 1.0 0.0 5.04 1306 1061 A 115 PHE HD% A 149 LEU HD1% 1.0 0.0 6.53 1307 1061 A 115 PHE HD% A 149 LEU HD2% 1.0 0.0 6.53 1308 1062 A 116 GLU H A 116 GLU HBy 1.0 0.0 3.97 1309 1062 A 116 GLU H A 116 GLU HBx 1.0 0.0 3.97 1310 1063 A 117 LEU H A 116 GLU HBy 1.0 0.0 4.07 1311 1063 A 117 LEU H A 116 GLU HBx 1.0 0.0 4.07 1312 1064 A 117 LEU H A 117 LEU HBy 1.0 0.0 3.37 1313 1064 A 117 LEU H A 117 LEU HBx 1.0 0.0 3.37 1314 1065 A 117 LEU H A 117 LEU HD1% 1.0 0.0 6.37 1315 1065 A 117 LEU H A 117 LEU HD2% 1.0 0.0 6.37 1316 1066 A 118 ILE H A 117 LEU HBy 1.0 0.0 4.48 1317 1066 A 118 ILE H A 117 LEU HBx 1.0 0.0 4.48 1318 1067 A 120 ALA HB% A 117 LEU HBy 1.0 0.0 4.74 1319 1067 A 120 ALA HB% A 117 LEU HBx 1.0 0.0 4.74 1320 1068 A 119 GLY H A 117 LEU HD1% 1.0 0.0 4.10 1321 1068 A 119 GLY H A 117 LEU HD2% 1.0 0.0 4.10 1322 1069 A 120 ALA HB% A 117 LEU HD1% 1.0 0.0 5.97 1323 1069 A 120 ALA HB% A 117 LEU HD2% 1.0 0.0 5.97 1324 1070 A 120 ALA H A 119 GLY HAy 1.0 0.0 3.01 1325 1070 A 120 ALA H A 119 GLY HAx 1.0 0.0 3.01 1326 1071 A 121 VAL H A 121 VAL HG1% 1.0 0.0 4.65 1327 1071 A 121 VAL H A 121 VAL HG2% 1.0 0.0 4.65 1328 1072 A 134 HIS HA A 121 VAL HG1% 1.0 0.0 6.18 1329 1072 A 134 HIS HA A 121 VAL HG2% 1.0 0.0 6.18 1330 1073 A 121 VAL HG2% A 134 HIS HBy 1.0 0.0 4.28 1331 1073 A 134 HIS HBx A 121 VAL HG1% 1.0 0.0 4.28 1332 1073 A 121 VAL HG2% A 134 HIS HBx 1.0 0.0 4.28 1333 1073 A 121 VAL HG1% A 134 HIS HBy 1.0 0.0 4.28 1334 1074 A 134 HIS HD2 A 121 VAL HG1% 1.0 0.0 7.02 1335 1074 A 134 HIS HD2 A 121 VAL HG2% 1.0 0.0 7.02 1336 1075 A 135 HIS H A 121 VAL HG1% 1.0 0.0 6.24 1337 1075 A 135 HIS H A 121 VAL HG2% 1.0 0.0 6.24 1338 1076 A 123 HIS H A 123 HIS HBx 1.0 0.0 3.31 1339 1076 A 123 HIS H A 123 HIS HBy 1.0 0.0 3.31 1340 1077 A 125 GLY H A 124 ASP HBx 1.0 0.0 4.19 1341 1077 A 125 GLY H A 124 ASP HBy 1.0 0.0 4.19 1342 1078 A 125 GLY H A 125 GLY HAy 1.0 0.0 3.11 1343 1078 A 125 GLY H A 125 GLY HAx 1.0 0.0 3.11 1344 1079 A 126 SER H A 126 SER HB2 1.0 0.0 4.26 1345 1079 A 126 SER H A 126 SER HBy 1.0 0.0 4.26 1346 1080 A 128 ALA H A 127 PRO HBy 1.0 0.0 4.46 1347 1080 A 128 ALA H A 127 PRO HBx 1.0 0.0 4.46 1348 1081 A 128 ALA H A 127 PRO HGy 1.0 0.0 5.63 1349 1081 A 128 ALA H A 127 PRO HGx 1.0 0.0 5.63 1350 1082 A 130 ARG H A 130 ARG HBx 1.0 0.0 3.46 1351 1082 A 130 ARG H A 130 ARG HBy 1.0 0.0 3.46 1352 1083 A 130 ARG H A 130 ARG HGy 1.0 0.0 4.86 1353 1083 A 130 ARG H A 130 ARG HGx 1.0 0.0 4.86 1354 1084 A 131 ASN H A 130 ARG HGy 1.0 0.0 5.94 1355 1084 A 131 ASN H A 130 ARG HGx 1.0 0.0 5.94 1356 1085 A 131 ASN H A 131 ASN HBx 1.0 0.0 3.82 1357 1085 A 131 ASN H A 131 ASN HBy 1.0 0.0 3.82 1358 1086 A 132 LEU H A 131 ASN HBx 1.0 0.0 5.04 1359 1086 A 132 LEU H A 131 ASN HBy 1.0 0.0 5.04 1360 1087 A 132 LEU H A 132 LEU HBy 1.0 0.0 2.92 1361 1087 A 132 LEU H A 132 LEU HBx 1.0 0.0 2.92 1362 1088 A 133 SER H A 132 LEU HBy 1.0 0.0 4.05 1363 1088 A 133 SER H A 132 LEU HBx 1.0 0.0 4.05 1364 1089 A 134 HIS H A 133 SER HBx 1.0 0.0 4.30 1365 1089 A 134 HIS H A 133 SER HBy 1.0 0.0 4.30 1366 1090 A 134 HIS H A 134 HIS HBy 1.0 0.0 3.97 1367 1090 A 134 HIS H A 134 HIS HBx 1.0 0.0 3.97 1368 1091 A 135 HIS H A 134 HIS HBy 1.0 0.0 3.73 1369 1091 A 135 HIS H A 134 HIS HBx 1.0 0.0 3.73 1370 1092 A 135 HIS H A 135 HIS HBx 1.0 0.0 3.34 1371 1092 A 135 HIS H A 135 HIS HBy 1.0 0.0 3.34 1372 1093 A 136 ILE H A 135 HIS HBx 1.0 0.0 3.92 1373 1093 A 136 ILE H A 135 HIS HBy 1.0 0.0 3.92 1374 1094 A 136 ILE H A 136 ILE HG1y 1.0 0.0 4.09 1375 1094 A 136 ILE H A 136 ILE HG1x 1.0 0.0 4.09 1376 1095 A 137 TYR H A 136 ILE HG1y 1.0 0.0 5.94 1377 1095 A 137 TYR H A 136 ILE HG1x 1.0 0.0 5.94 1378 1096 A 148 ILE HD1% A 136 ILE HG1y 1.0 0.0 5.16 1379 1096 A 148 ILE HD1% A 136 ILE HG1x 1.0 0.0 5.16 1380 1097 A 138 ILE H A 137 TYR HBy 1.0 0.0 4.77 1381 1097 A 138 ILE H A 137 TYR HBx 1.0 0.0 4.77 1382 1098 A 138 ILE H A 138 ILE HG1y 1.0 0.0 3.88 1383 1098 A 138 ILE H A 138 ILE HG1x 1.0 0.0 3.88 1384 1099 A 138 ILE HA A 138 ILE HG1y 1.0 0.0 3.91 1385 1099 A 138 ILE HA A 138 ILE HG1x 1.0 0.0 3.91 1386 1100 A 140 GLU H A 139 PRO HBy 1.0 0.0 4.14 1387 1100 A 140 GLU H A 139 PRO HBx 1.0 0.0 4.14 1388 1101 A 140 GLU H A 140 GLU HBy 1.0 0.0 2.98 1389 1101 A 140 GLU H A 140 GLU HBx 1.0 0.0 2.98 1390 1102 A 142 ARG HA A 142 ARG HBx 1.0 0.0 3.09 1391 1102 A 142 ARG HA A 142 ARG HBy 1.0 0.0 3.09 1392 1103 A 143 LEU H A 142 ARG HBx 1.0 0.0 3.17 1393 1103 A 143 LEU H A 142 ARG HBy 1.0 0.0 3.17 1394 1104 A 143 LEU H A 143 LEU HBy 1.0 0.0 3.39 1395 1104 A 143 LEU H A 143 LEU HBx 1.0 0.0 3.39 1396 1105 A 144 GLY H A 143 LEU HD1% 1.0 0.0 5.09 1397 1105 A 144 GLY H A 143 LEU HD2% 1.0 0.0 5.09 1398 1106 A 144 GLY H A 169 LEU HBy 1.0 0.0 5.77 1399 1106 A 144 GLY H A 169 LEU HBx 1.0 0.0 5.77 1400 1107 A 145 TYR H A 144 GLY HAy 1.0 0.0 3.64 1401 1107 A 145 TYR H A 144 GLY HAx 1.0 0.0 3.64 1402 1108 A 146 HIS H A 145 TYR HBy 1.0 0.0 4.35 1403 1108 A 146 HIS H A 145 TYR HBx 1.0 0.0 4.35 1404 1109 A 168 ASP HA A 145 TYR HBy 1.0 0.0 3.86 1405 1109 A 168 ASP HA A 145 TYR HBx 1.0 0.0 3.86 1406 1110 A 145 TYR HD% A 168 ASP HBx 1.0 0.0 5.12 1407 1110 A 145 TYR HD% A 168 ASP HBy 1.0 0.0 5.12 1408 1111 A 145 TYR HE% A 147 VAL HG2% 1.0 0.0 7.13 1409 1111 A 145 TYR HE% A 147 VAL HG1% 1.0 0.0 7.13 1410 1112 A 146 HIS H A 146 HIS HBy 1.0 0.0 4.21 1411 1112 A 146 HIS H A 146 HIS HBx 1.0 0.0 4.21 1412 1113 A 146 HIS H A 167 VAL HG1% 1.0 0.0 5.58 1413 1113 A 146 HIS H A 167 VAL HG2% 1.0 0.0 5.58 1414 1114 A 147 VAL H A 146 HIS HBy 1.0 0.0 3.56 1415 1114 A 147 VAL H A 146 HIS HBx 1.0 0.0 3.56 1416 1115 A 147 VAL H A 147 VAL HG2% 1.0 0.0 4.84 1417 1115 A 147 VAL H A 147 VAL HG1% 1.0 0.0 4.84 1418 1116 A 166 ASP HA A 147 VAL HG2% 1.0 0.0 4.34 1419 1116 A 166 ASP HA A 147 VAL HG1% 1.0 0.0 4.34 1420 1117 A 149 LEU H A 149 LEU HBy 1.0 0.0 3.96 1421 1117 A 149 LEU H A 149 LEU HBx 1.0 0.0 3.96 1422 1118 A 149 LEU H A 149 LEU HD1% 1.0 0.0 7.02 1423 1118 A 149 LEU H A 149 LEU HD2% 1.0 0.0 7.02 1424 1119 A 149 LEU HA A 149 LEU HD1% 1.0 0.0 4.43 1425 1119 A 149 LEU HA A 149 LEU HD2% 1.0 0.0 4.43 1426 1120 A 150 ALA H A 149 LEU HBy 1.0 0.0 4.10 1427 1120 A 150 ALA H A 149 LEU HBx 1.0 0.0 4.10 1428 1121 A 150 ALA H A 149 LEU HD1% 1.0 0.0 4.95 1429 1121 A 150 ALA H A 149 LEU HD2% 1.0 0.0 4.95 1430 1122 A 150 ALA H A 163 GLN HBy 1.0 0.0 5.71 1431 1122 A 150 ALA H A 163 GLN HBx 1.0 0.0 5.71 1432 1123 A 150 ALA H A 164 VAL HG2% 1.0 0.0 4.77 1433 1123 A 150 ALA H A 164 VAL HG1% 1.0 0.0 4.77 1434 1124 A 151 VAL H A 151 VAL HG2% 1.0 0.0 4.46 1435 1124 A 151 VAL H A 151 VAL HG1% 1.0 0.0 4.46 1436 1125 A 152 TRP H A 151 VAL HG2% 1.0 0.0 4.92 1437 1125 A 152 TRP H A 151 VAL HG1% 1.0 0.0 4.92 1438 1126 A 162 TYR HD% A 151 VAL HG2% 1.0 0.0 6.95 1439 1126 A 162 TYR HD% A 151 VAL HG1% 1.0 0.0 6.95 1440 1127 A 162 TYR HE% A 151 VAL HG2% 1.0 0.0 6.05 1441 1127 A 162 TYR HE% A 151 VAL HG1% 1.0 0.0 6.05 1442 1128 A 163 GLN H A 151 VAL HG2% 1.0 0.0 4.77 1443 1128 A 163 GLN H A 151 VAL HG1% 1.0 0.0 4.77 1444 1129 A 152 TRP H A 152 TRP HBx 1.0 0.0 3.37 1445 1129 A 152 TRP H A 152 TRP HBy 1.0 0.0 3.37 1446 1130 A 152 TRP H A 161 PHE HBy 1.0 0.0 5.94 1447 1130 A 152 TRP H A 161 PHE HBx 1.0 0.0 5.94 1448 1131 A 152 TRP HZ2 A 154 VAL HG2% 1.0 0.0 6.75 1449 1131 A 154 VAL HG1% A 152 TRP HZ2 1.0 0.0 6.75 1450 1132 A 154 VAL H A 153 ASP HBx 1.0 0.0 5.01 1451 1132 A 154 VAL H A 153 ASP HBy 1.0 0.0 5.01 1452 1133 A 155 ALA H A 154 VAL HG2% 1.0 0.0 5.34 1453 1133 A 155 ALA H A 154 VAL HG1% 1.0 0.0 5.34 1454 1134 A 156 ASP H A 154 VAL HG2% 1.0 0.0 5.01 1455 1134 A 156 ASP H A 154 VAL HG1% 1.0 0.0 5.01 1456 1135 A 157 THR H A 154 VAL HG2% 1.0 0.0 5.28 1457 1135 A 157 THR H A 154 VAL HG1% 1.0 0.0 5.28 1458 1136 A 157 THR H A 156 ASP HBx 1.0 0.0 4.48 1459 1136 A 157 THR H A 156 ASP HBy 1.0 0.0 4.48 1460 1137 A 158 GLU H A 158 GLU HBy 1.0 0.0 3.28 1461 1137 A 158 GLU H A 158 GLU HBx 1.0 0.0 3.28 1462 1138 A 159 ASN H A 159 ASN HBx 1.0 0.0 4.03 1463 1138 A 159 ASN H A 159 ASN HBy 1.0 0.0 4.03 1464 1139 A 160 ALA H A 159 ASN HBx 1.0 0.0 3.41 1465 1139 A 160 ALA H A 159 ASN HBy 1.0 0.0 3.41 1466 1140 A 161 PHE H A 161 PHE HBy 1.0 0.0 3.62 1467 1140 A 161 PHE H A 161 PHE HBx 1.0 0.0 3.62 1468 1141 A 162 TYR H A 162 TYR HBy 1.0 0.0 3.99 1469 1141 A 162 TYR H A 162 TYR HBx 1.0 0.0 3.99 1470 1142 A 162 TYR HA A 162 TYR HBy 1.0 0.0 3.16 1471 1142 A 162 TYR HA A 162 TYR HBx 1.0 0.0 3.16 1472 1143 A 163 GLN H A 162 TYR HBy 1.0 0.0 4.15 1473 1143 A 163 GLN H A 162 TYR HBx 1.0 0.0 4.15 1474 1144 A 163 GLN H A 163 GLN HBy 1.0 0.0 3.97 1475 1144 A 163 GLN H A 163 GLN HBx 1.0 0.0 3.97 1476 1145 A 164 VAL H A 164 VAL HG2% 1.0 0.0 4.95 1477 1145 A 164 VAL H A 164 VAL HG1% 1.0 0.0 4.95 1478 1146 A 165 ILE H A 165 ILE HG1y 1.0 0.0 5.71 1479 1146 A 165 ILE H A 165 ILE HG1x 1.0 0.0 5.71 1480 1147 A 167 VAL H A 166 ASP HB2 1.0 0.0 4.39 1481 1147 A 167 VAL H A 166 ASP HBy 1.0 0.0 4.39 1482 1148 A 168 ASP H A 167 VAL HG1% 1.0 0.0 5.61 1483 1148 A 168 ASP H A 167 VAL HG2% 1.0 0.0 5.61 1484 1149 A 168 ASP H A 168 ASP HBx 1.0 0.0 3.31 1485 1149 A 168 ASP H A 168 ASP HBy 1.0 0.0 3.31 1486 1150 A 169 LEU H A 169 LEU HD1% 1.0 0.0 5.12 1487 1150 A 169 LEU H A 169 LEU HD2% 1.0 0.0 5.12 1488 1151 A 170 VAL H A 169 LEU HBy 1.0 0.0 4.99 1489 1151 A 170 VAL H A 169 LEU HBx 1.0 0.0 4.99 1490 1152 A 170 VAL H A 169 LEU HD1% 1.0 0.0 4.92 1491 1152 A 170 VAL H A 169 LEU HD2% 1.0 0.0 4.92 1492 1153 A 170 VAL H A 170 VAL HG2% 1.0 0.0 4.86 1493 1153 A 170 VAL H A 170 VAL HG1% 1.0 0.0 4.86 1494 1154 A 171 ASN H A 170 VAL HG2% 1.0 0.0 4.43 1495 1154 A 171 ASN H A 170 VAL HG1% 1.0 0.0 4.43 1496 1155 A 171 ASN H A 171 ASN HBx 1.0 0.0 3.72 1497 1155 A 171 ASN H A 171 ASN HBy 1.0 0.0 3.72 1498 1156 A 172 LYS H A 172 LYS HBy 1.0 0.0 3.36 1499 1156 A 172 LYS H A 172 LYS HBx 1.0 0.0 3.36 1500 1157 A 172 LYS H A 172 LYS HDy 1.0 0.0 4.24 1501 1157 A 172 LYS H A 172 LYS HDx 1.0 0.0 4.24 1502 1158 A 172 LYS HA A 172 LYS HBy 1.0 0.0 3.01 1503 1158 A 172 LYS HA A 172 LYS HBx 1.0 0.0 3.01 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 PHE C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -94.0 -54.0 PHI 2 2 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 GLU N 1.0 106.0 146.0 PSI 3 3 A 8 GLY C A 9 SER N A 9 SER CA A 9 SER C 1.0 -179.0 -39.0 PHI 4 4 A 9 SER N A 9 SER CA A 9 SER C A 10 ARG N 1.0 97.0 196.0 PSI 5 5 A 9 SER C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -78.0 -38.0 PHI 6 6 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 ALA N 1.0 -61.0 -21.0 PSI 7 7 A 10 ARG C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -83.0 -43.0 PHI 8 8 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 ALA N 1.0 -61.0 -21.0 PSI 9 9 A 11 ALA C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -87.0 -47.0 PHI 10 10 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 LEU N 1.0 -57.0 -17.0 PSI 11 11 A 12 ALA C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -92.0 -52.0 PHI 12 12 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 CYS N 1.0 -53.0 -4.0 PSI 13 13 A 14 CYS C A 15 SER N A 15 SER CA A 15 SER C 1.0 -152.0 -28.0 PHI 14 14 A 15 SER N A 15 SER CA A 15 SER C A 16 GLU N 1.0 129.0 189.0 PSI 15 15 A 15 SER C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -80.0 -40.0 PHI 16 16 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 ALA N 1.0 -55.0 -15.0 PSI 17 17 A 16 GLU C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -88.0 -48.0 PHI 18 18 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 PHE N 1.0 -53.0 -13.0 PSI 19 19 A 17 ALA C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -126.0 -83.0 PHI 20 20 A 18 PHE N A 18 PHE CA A 18 PHE C A 19 GLY N 1.0 -13.0 26.0 PSI 21 21 A 20 PHE C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -104.0 -53.0 PHI 22 22 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 ASN N 1.0 -54.0 -3.0 PSI 23 23 A 22 ASN C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -150.0 -75.0 PHI 24 24 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ASN N 1.0 110.0 157.0 PSI 25 25 A 26 GLY C A 27 SER N A 27 SER CA A 27 SER C 1.0 -79.0 -39.0 PHI 26 26 A 27 SER N A 27 SER CA A 27 SER C A 28 VAL N 1.0 -54.0 -14.0 PSI 27 27 A 27 SER C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -83.0 -43.0 PHI 28 28 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 MET N 1.0 -50.0 -10.0 PSI 29 29 A 28 VAL C A 29 MET N A 29 MET CA A 29 MET C 1.0 -87.0 -47.0 PHI 30 30 A 29 MET N A 29 MET CA A 29 MET C A 30 TYR N 1.0 -51.0 -11.0 PSI 31 31 A 29 MET C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -120.0 -80.0 PHI 32 32 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 GLU N 1.0 -36.0 7.0 PSI 33 33 A 30 TYR C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -155.0 -115.0 PHI 34 34 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 PRO N 1.0 45.0 90.0 PSI 35 35 A 32 PRO C A 33 GLN N A 33 GLN CA A 33 GLN C 1.0 -98.0 -58.0 PHI 36 36 A 33 GLN N A 33 GLN CA A 33 GLN C A 34 SER N 1.0 -34.0 5.0 PSI 37 37 A 34 SER C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -104.0 -59.0 PHI 38 38 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 GLU N 1.0 80.0 153.0 PSI 39 39 A 35 LEU C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -130.0 -84.0 PHI 40 40 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 ALA N 1.0 109.0 149.0 PSI 41 41 A 36 GLU C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -136.0 -82.0 PHI 42 42 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 LYS N 1.0 104.0 158.0 PSI 43 43 A 40 GLY C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -90.0 -50.0 PHI 44 44 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 PRO N 1.0 114.0 154.0 PSI 45 45 A 44 SER C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 -114.0 -54.0 PHI 46 46 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 PRO N 1.0 147.0 205.0 PSI 47 47 A 46 PRO C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -97.0 -48.0 PHI 48 48 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 ASP N 1.0 116.0 165.0 PSI 49 49 A 50 GLN C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -85.0 -45.0 PHI 50 50 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ALA N 1.0 -63.0 -23.0 PSI 51 51 A 51 ILE C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -86.0 -46.0 PHI 52 52 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 SER N 1.0 -49.0 -9.0 PSI 53 53 A 52 ALA C A 53 SER N A 53 SER CA A 53 SER C 1.0 -113.0 -73.0 PHI 54 54 A 53 SER N A 53 SER CA A 53 SER C A 54 ALA N 1.0 -21.0 23.0 PSI 55 55 A 53 SER C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 35.0 75.0 PHI 56 56 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 GLY N 1.0 20.0 62.0 PSI 57 57 A 57 LEU C A 58 PHE N A 58 PHE CA A 58 PHE C 1.0 -85.0 -45.0 PHI 58 58 A 58 PHE N A 58 PHE CA A 58 PHE C A 59 GLY N 1.0 -53.0 -13.0 PSI 59 59 A 58 PHE C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 -86.0 -46.0 PHI 60 60 A 59 GLY N A 59 GLY CA A 59 GLY C A 60 GLY N 1.0 -55.0 -14.0 PSI 61 61 A 59 GLY C A 60 GLY N A 60 GLY CA A 60 GLY C 1.0 -86.0 -46.0 PHI 62 62 A 60 GLY N A 60 GLY CA A 60 GLY C A 61 ILE N 1.0 -57.0 -17.0 PSI 63 63 A 60 GLY C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -87.0 -47.0 PHI 64 64 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 LEU N 1.0 -60.0 -20.0 PSI 65 65 A 61 ILE C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -88.0 -48.0 PHI 66 66 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 ASP N 1.0 -50.0 -10.0 PSI 67 67 A 62 LEU C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -107.0 -55.0 PHI 68 68 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 GLN N 1.0 -52.0 13.0 PSI 69 69 A 65 GLN C A 66 SER N A 66 SER CA A 66 SER C 1.0 -153.0 -54.0 PHI 70 70 A 66 SER N A 66 SER CA A 66 SER C A 67 GLU N 1.0 95.0 189.0 PSI 71 71 A 66 SER C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -85.0 -45.0 PHI 72 72 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 ASN N 1.0 -47.0 -5.0 PSI 73 73 A 67 GLU C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -123.0 -73.0 PHI 74 74 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 ARG N 1.0 -22.0 28.0 PSI 75 75 A 69 ARG C A 70 TRP N A 70 TRP CA A 70 TRP C 1.0 -154.0 -97.0 PHI 76 76 A 70 TRP N A 70 TRP CA A 70 TRP C A 71 PHE N 1.0 125.0 166.0 PSI 77 77 A 70 TRP C A 71 PHE N A 71 PHE CA A 71 PHE C 1.0 -95.0 -45.0 PHI 78 78 A 71 PHE N A 71 PHE CA A 71 PHE C A 72 LYS N 1.0 110.0 152.0 PSI 79 79 A 71 PHE C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -146.0 -76.0 PHI 80 80 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 HIS N 1.0 108.0 163.0 PSI 81 81 A 72 LYS C A 73 HIS N A 73 HIS CA A 73 HIS C 1.0 -119.0 -70.0 PHI 82 82 A 73 HIS N A 73 HIS CA A 73 HIS C A 74 ILE N 1.0 94.0 151.0 PSI 83 83 A 73 HIS C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -108.0 -64.0 PHI 84 84 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 MET N 1.0 103.0 143.0 PSI 85 85 A 74 ILE C A 75 MET N A 75 MET CA A 75 MET C 1.0 -151.0 -101.0 PHI 86 86 A 75 MET N A 75 MET CA A 75 MET C A 76 THR N 1.0 117.0 168.0 PSI 87 87 A 75 MET C A 76 THR N A 76 THR CA A 76 THR C 1.0 -154.0 -95.0 PHI 88 88 A 76 THR N A 76 THR CA A 76 THR C A 77 GLY N 1.0 132.0 172.0 PSI 89 89 A 77 GLY C A 78 GLY N A 78 GLY CA A 78 GLY C 1.0 75.0 143.0 PHI 90 90 A 78 GLY N A 78 GLY CA A 78 GLY C A 79 GLU N 1.0 -199.0 -139.0 PSI 91 91 A 78 GLY C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -92.0 -52.0 PHI 92 92 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 HIS N 1.0 109.0 149.0 PSI 93 93 A 79 GLU C A 80 HIS N A 80 HIS CA A 80 HIS C 1.0 -160.0 -95.0 PHI 94 94 A 80 HIS N A 80 HIS CA A 80 HIS C A 81 THR N 1.0 122.0 171.0 PSI 95 95 A 80 HIS C A 81 THR N A 81 THR CA A 81 THR C 1.0 -134.0 -78.0 PHI 96 96 A 81 THR N A 81 THR CA A 81 THR C A 82 PHE N 1.0 105.0 145.0 PSI 97 97 A 81 THR C A 82 PHE N A 82 PHE CA A 82 PHE C 1.0 -142.0 -93.0 PHI 98 98 A 82 PHE N A 82 PHE CA A 82 PHE C A 83 THR N 1.0 112.0 154.0 PSI 99 99 A 82 PHE C A 83 THR N A 83 THR CA A 83 THR C 1.0 -138.0 -85.0 PHI 100 100 A 83 THR N A 83 THR CA A 83 THR C A 84 TRP N 1.0 106.0 146.0 PSI 101 101 A 83 THR C A 84 TRP N A 84 TRP CA A 84 TRP C 1.0 -124.0 -77.0 PHI 102 102 A 84 TRP N A 84 TRP CA A 84 TRP C A 85 THR N 1.0 110.0 150.0 PSI 103 103 A 84 TRP C A 85 THR N A 85 THR CA A 85 THR C 1.0 -145.0 -98.0 PHI 104 104 A 85 THR N A 85 THR CA A 85 THR C A 86 TYR N 1.0 110.0 162.0 PSI 105 105 A 85 THR C A 86 TYR N A 86 TYR CA A 86 TYR C 1.0 -139.0 -86.0 PHI 106 106 A 86 TYR N A 86 TYR CA A 86 TYR C A 87 THR N 1.0 119.0 171.0 PSI 107 107 A 87 THR C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -141.0 -20.0 PHI 108 108 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 PRO N 1.0 119.0 172.0 PSI 109 109 A 89 PRO C A 90 HIS N A 90 HIS CA A 90 HIS C 1.0 -131.0 -41.0 PHI 110 110 A 90 HIS N A 90 HIS CA A 90 HIS C A 91 ASN N 1.0 103.0 162.0 PSI 111 111 A 92 THR C A 93 SER N A 93 SER CA A 93 SER C 1.0 -117.0 -67.0 PHI 112 112 A 93 SER N A 93 SER CA A 93 SER C A 94 GLN N 1.0 -57.0 -7.0 PSI 113 113 A 93 SER C A 94 GLN N A 94 GLN CA A 94 GLN C 1.0 -179.0 -139.0 PHI 114 114 A 94 GLN N A 94 GLN CA A 94 GLN C A 95 TRP N 1.0 135.0 175.0 PSI 115 115 A 94 GLN C A 95 TRP N A 95 TRP CA A 95 TRP C 1.0 -165.0 -112.0 PHI 116 116 A 95 TRP N A 95 TRP CA A 95 TRP C A 96 HIS N 1.0 115.0 167.0 PSI 117 117 A 95 TRP C A 96 HIS N A 96 HIS CA A 96 HIS C 1.0 -148.0 -100.0 PHI 118 118 A 96 HIS N A 96 HIS CA A 96 HIS C A 97 TYR N 1.0 120.0 160.0 PSI 119 119 A 96 HIS C A 97 TYR N A 97 TYR CA A 97 TYR C 1.0 -150.0 -91.0 PHI 120 120 A 97 TYR N A 97 TYR CA A 97 TYR C A 98 TYR N 1.0 114.0 155.0 PSI 121 121 A 97 TYR C A 98 TYR N A 98 TYR CA A 98 TYR C 1.0 -144.0 -104.0 PHI 122 122 A 98 TYR N A 98 TYR CA A 98 TYR C A 99 ILE N 1.0 129.0 169.0 PSI 123 123 A 98 TYR C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -148.0 -108.0 PHI 124 124 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 THR N 1.0 117.0 169.0 PSI 125 125 A 99 ILE C A 100 THR N A 100 THR CA A 100 THR C 1.0 -168.0 -50.0 PHI 126 126 A 100 THR N A 100 THR CA A 100 THR C A 101 LYS N 1.0 116.0 165.0 PSI 127 127 A 100 THR C A 101 LYS N A 101 LYS CA A 101 LYS C 1.0 -88.0 -48.0 PHI 128 128 A 101 LYS N A 101 LYS CA A 101 LYS C A 102 LYS N 1.0 125.0 175.0 PSI 129 129 A 101 LYS C A 102 LYS N A 102 LYS CA A 102 LYS C 1.0 -76.0 -36.0 PHI 130 130 A 102 LYS N A 102 LYS CA A 102 LYS C A 103 GLY N 1.0 114.0 154.0 PSI 131 131 A 102 LYS C A 103 GLY N A 103 GLY CA A 103 GLY C 1.0 73.0 113.0 PHI 132 132 A 103 GLY N A 103 GLY CA A 103 GLY C A 104 TRP N 1.0 -29.0 10.0 PSI 133 133 A 104 TRP C A 105 ASP N A 105 ASP CA A 105 ASP C 1.0 -155.0 -49.0 PHI 134 134 A 105 ASP N A 105 ASP CA A 105 ASP C A 106 PRO N 1.0 85.0 163.0 PSI 135 135 A 107 ASP C A 108 LYS N A 108 LYS CA A 108 LYS C 1.0 -165.0 -96.0 PHI 136 136 A 108 LYS N A 108 LYS CA A 108 LYS C A 109 PRO N 1.0 115.0 179.0 PSI 137 137 A 109 PRO C A 110 LEU N A 110 LEU CA A 110 LEU C 1.0 -93.0 -53.0 PHI 138 138 A 111 LYS C A 112 ARG N A 112 ARG CA A 112 ARG C 1.0 -76.0 -36.0 PHI 139 139 A 112 ARG N A 112 ARG CA A 112 ARG C A 113 ALA N 1.0 -56.0 -16.0 PSI 140 140 A 112 ARG C A 113 ALA N A 113 ALA CA A 113 ALA C 1.0 -88.0 -48.0 PHI 141 141 A 113 ALA N A 113 ALA CA A 113 ALA C A 114 ASP N 1.0 -37.0 2.0 PSI 142 142 A 113 ALA C A 114 ASP N A 114 ASP CA A 114 ASP C 1.0 -108.0 -68.0 PHI 143 143 A 114 ASP N A 114 ASP CA A 114 ASP C A 115 PHE N 1.0 -29.0 10.0 PSI 144 144 A 114 ASP C A 115 PHE N A 115 PHE CA A 115 PHE C 1.0 -126.0 -44.0 PHI 145 145 A 115 PHE N A 115 PHE CA A 115 PHE C A 116 GLU N 1.0 114.0 162.0 PSI 146 146 A 115 PHE C A 116 GLU N A 116 GLU CA A 116 GLU C 1.0 -151.0 -99.0 PHI 147 147 A 116 GLU N A 116 GLU CA A 116 GLU C A 117 LEU N 1.0 109.0 156.0 PSI 148 148 A 116 GLU C A 117 LEU N A 117 LEU CA A 117 LEU C 1.0 -90.0 -50.0 PHI 149 149 A 117 LEU N A 117 LEU CA A 117 LEU C A 118 ILE N 1.0 108.0 148.0 PSI 150 150 A 117 LEU C A 118 ILE N A 118 ILE CA A 118 ILE C 1.0 -131.0 -91.0 PHI 151 151 A 118 ILE N A 118 ILE CA A 118 ILE C A 119 GLY N 1.0 -44.0 2.0 PSI 152 152 A 118 ILE C A 119 GLY N A 119 GLY CA A 119 GLY C 1.0 -198.0 -145.0 PHI 153 153 A 119 GLY N A 119 GLY CA A 119 GLY C A 120 ALA N 1.0 137.0 182.0 PSI 154 154 A 119 GLY C A 120 ALA N A 120 ALA CA A 120 ALA C 1.0 -153.0 -113.0 PHI 155 155 A 120 ALA N A 120 ALA CA A 120 ALA C A 121 VAL N 1.0 107.0 147.0 PSI 156 156 A 120 ALA C A 121 VAL N A 121 VAL CA A 121 VAL C 1.0 -145.0 -93.0 PHI 157 157 A 121 VAL N A 121 VAL CA A 121 VAL C A 122 PRO N 1.0 80.0 150.0 PSI 158 158 A 122 PRO C A 123 HIS N A 123 HIS CA A 123 HIS C 1.0 -154.0 -104.0 PHI 159 159 A 123 HIS N A 123 HIS CA A 123 HIS C A 124 ASP N 1.0 121.0 163.0 PSI 160 160 A 127 PRO C A 128 ALA N A 128 ALA CA A 128 ALA C 1.0 -86.0 -46.0 PHI 161 161 A 128 ALA N A 128 ALA CA A 128 ALA C A 129 SER N 1.0 -54.0 -14.0 PSI 162 162 A 128 ALA C A 129 SER N A 129 SER CA A 129 SER C 1.0 -92.0 -52.0 PHI 163 163 A 129 SER N A 129 SER CA A 129 SER C A 130 ARG N 1.0 -38.0 1.0 PSI 164 164 A 129 SER C A 130 ARG N A 130 ARG CA A 130 ARG C 1.0 -101.0 -58.0 PHI 165 165 A 130 ARG N A 130 ARG CA A 130 ARG C A 131 ASN N 1.0 -36.0 7.0 PSI 166 166 A 130 ARG C A 131 ASN N A 131 ASN CA A 131 ASN C 1.0 -109.0 -58.0 PHI 167 167 A 131 ASN N A 131 ASN CA A 131 ASN C A 132 LEU N 1.0 105.0 165.0 PSI 168 168 A 131 ASN C A 132 LEU N A 132 LEU CA A 132 LEU C 1.0 -97.0 -52.0 PHI 169 169 A 132 LEU N A 132 LEU CA A 132 LEU C A 133 SER N 1.0 -55.0 -15.0 PSI 170 170 A 132 LEU C A 133 SER N A 133 SER CA A 133 SER C 1.0 -159.0 -100.0 PHI 171 171 A 133 SER N A 133 SER CA A 133 SER C A 134 HIS N 1.0 120.0 162.0 PSI 172 172 A 133 SER C A 134 HIS N A 134 HIS CA A 134 HIS C 1.0 -144.0 -104.0 PHI 173 173 A 134 HIS N A 134 HIS CA A 134 HIS C A 135 HIS N 1.0 109.0 151.0 PSI 174 174 A 134 HIS C A 135 HIS N A 135 HIS CA A 135 HIS C 1.0 -125.0 -74.0 PHI 175 175 A 135 HIS N A 135 HIS CA A 135 HIS C A 136 ILE N 1.0 101.0 141.0 PSI 176 176 A 135 HIS C A 136 ILE N A 136 ILE CA A 136 ILE C 1.0 -132.0 -92.0 PHI 177 177 A 136 ILE N A 136 ILE CA A 136 ILE C A 137 TYR N 1.0 106.0 146.0 PSI 178 178 A 136 ILE C A 137 TYR N A 137 TYR CA A 137 TYR C 1.0 -107.0 -67.0 PHI 179 179 A 137 TYR N A 137 TYR CA A 137 TYR C A 138 ILE N 1.0 101.0 141.0 PSI 180 180 A 137 TYR C A 138 ILE N A 138 ILE CA A 138 ILE C 1.0 -126.0 -75.0 PHI 181 181 A 138 ILE N A 138 ILE CA A 138 ILE C A 139 PRO N 1.0 91.0 157.0 PSI 182 182 A 141 ASP C A 142 ARG N A 142 ARG CA A 142 ARG C 1.0 -168.0 -109.0 PHI 183 183 A 142 ARG N A 142 ARG CA A 142 ARG C A 143 LEU N 1.0 119.0 170.0 PSI 184 184 A 142 ARG C A 143 LEU N A 143 LEU CA A 143 LEU C 1.0 -140.0 -100.0 PHI 185 185 A 143 LEU N A 143 LEU CA A 143 LEU C A 144 GLY N 1.0 110.0 154.0 PSI 186 186 A 144 GLY C A 145 TYR N A 145 TYR CA A 145 TYR C 1.0 -127.0 -87.0 PHI 187 187 A 145 TYR N A 145 TYR CA A 145 TYR C A 146 HIS N 1.0 101.0 145.0 PSI 188 188 A 145 TYR C A 146 HIS N A 146 HIS CA A 146 HIS C 1.0 -149.0 -68.0 PHI 189 189 A 146 HIS N A 146 HIS CA A 146 HIS C A 147 VAL N 1.0 106.0 159.0 PSI 190 190 A 146 HIS C A 147 VAL N A 147 VAL CA A 147 VAL C 1.0 -138.0 -98.0 PHI 191 191 A 147 VAL N A 147 VAL CA A 147 VAL C A 148 ILE N 1.0 110.0 150.0 PSI 192 192 A 147 VAL C A 148 ILE N A 148 ILE CA A 148 ILE C 1.0 -136.0 -96.0 PHI 193 193 A 148 ILE N A 148 ILE CA A 148 ILE C A 149 LEU N 1.0 109.0 149.0 PSI 194 194 A 148 ILE C A 149 LEU N A 149 LEU CA A 149 LEU C 1.0 -140.0 -99.0 PHI 195 195 A 149 LEU N A 149 LEU CA A 149 LEU C A 150 ALA N 1.0 109.0 149.0 PSI 196 196 A 149 LEU C A 150 ALA N A 150 ALA CA A 150 ALA C 1.0 -148.0 -108.0 PHI 197 197 A 150 ALA N A 150 ALA CA A 150 ALA C A 151 VAL N 1.0 121.0 161.0 PSI 198 198 A 150 ALA C A 151 VAL N A 151 VAL CA A 151 VAL C 1.0 -129.0 -89.0 PHI 199 199 A 151 VAL N A 151 VAL CA A 151 VAL C A 152 TRP N 1.0 105.0 145.0 PSI 200 200 A 151 VAL C A 152 TRP N A 152 TRP CA A 152 TRP C 1.0 -138.0 -98.0 PHI 201 201 A 152 TRP N A 152 TRP CA A 152 TRP C A 153 ASP N 1.0 99.0 152.0 PSI 202 202 A 152 TRP C A 153 ASP N A 153 ASP CA A 153 ASP C 1.0 -112.0 -72.0 PHI 203 203 A 153 ASP N A 153 ASP CA A 153 ASP C A 154 VAL N 1.0 88.0 132.0 PSI 204 204 A 155 ALA C A 156 ASP N A 156 ASP CA A 156 ASP C 1.0 -110.0 -65.0 PHI 205 205 A 156 ASP N A 156 ASP CA A 156 ASP C A 157 THR N 1.0 -32.0 29.0 PSI 206 206 A 156 ASP C A 157 THR N A 157 THR CA A 157 THR C 1.0 -153.0 -113.0 PHI 207 207 A 157 THR N A 157 THR CA A 157 THR C A 158 GLU N 1.0 139.0 179.0 PSI 208 208 A 158 GLU C A 159 ASN N A 159 ASN CA A 159 ASN C 1.0 -167.0 -110.0 PHI 209 209 A 159 ASN N A 159 ASN CA A 159 ASN C A 160 ALA N 1.0 130.0 175.0 PSI 210 210 A 159 ASN C A 160 ALA N A 160 ALA CA A 160 ALA C 1.0 -162.0 -122.0 PHI 211 211 A 160 ALA N A 160 ALA CA A 160 ALA C A 161 PHE N 1.0 132.0 172.0 PSI 212 212 A 160 ALA C A 161 PHE N A 161 PHE CA A 161 PHE C 1.0 -141.0 -99.0 PHI 213 213 A 161 PHE N A 161 PHE CA A 161 PHE C A 162 TYR N 1.0 115.0 159.0 PSI 214 214 A 161 PHE C A 162 TYR N A 162 TYR CA A 162 TYR C 1.0 -139.0 -63.0 PHI 215 215 A 162 TYR N A 162 TYR CA A 162 TYR C A 163 GLN N 1.0 111.0 154.0 PSI 216 216 A 162 TYR C A 163 GLN N A 163 GLN CA A 163 GLN C 1.0 -146.0 -104.0 PHI 217 217 A 163 GLN N A 163 GLN CA A 163 GLN C A 164 VAL N 1.0 120.0 171.0 PSI 218 218 A 163 GLN C A 164 VAL N A 164 VAL CA A 164 VAL C 1.0 -137.0 -90.0 PHI 219 219 A 164 VAL N A 164 VAL CA A 164 VAL C A 165 ILE N 1.0 111.0 151.0 PSI 220 220 A 164 VAL C A 165 ILE N A 165 ILE CA A 165 ILE C 1.0 -147.0 -107.0 PHI 221 221 A 165 ILE N A 165 ILE CA A 165 ILE C A 166 ASP N 1.0 110.0 150.0 PSI 222 222 A 165 ILE C A 166 ASP N A 166 ASP CA A 166 ASP C 1.0 -122.0 -73.0 PHI 223 223 A 166 ASP N A 166 ASP CA A 166 ASP C A 167 VAL N 1.0 113.0 153.0 PSI 224 224 A 166 ASP C A 167 VAL N A 167 VAL CA A 167 VAL C 1.0 -149.0 -109.0 PHI 225 225 A 167 VAL N A 167 VAL CA A 167 VAL C A 168 ASP N 1.0 126.0 166.0 PSI 226 226 A 167 VAL C A 168 ASP N A 168 ASP CA A 168 ASP C 1.0 -130.0 -82.0 PHI 227 227 A 168 ASP N A 168 ASP CA A 168 ASP C A 169 LEU N 1.0 96.0 136.0 PSI 228 228 A 168 ASP C A 169 LEU N A 169 LEU CA A 169 LEU C 1.0 -120.0 -66.0 PHI 229 229 A 169 LEU N A 169 LEU CA A 169 LEU C A 170 VAL N 1.0 104.0 144.0 PSI 230 230 A 169 LEU C A 170 VAL N A 170 VAL CA A 170 VAL C 1.0 -150.0 -110.0 PHI 231 231 A 170 VAL N A 170 VAL CA A 170 VAL C A 171 ASN N 1.0 135.0 175.0 PSI 232 232 A 170 VAL C A 171 ASN N A 171 ASN CA A 171 ASN C 1.0 -95.0 -55.0 PHI 233 233 A 171 ASN N A 171 ASN CA A 171 ASN C A 172 LYS N 1.0 106.0 165.0 PSI 234 234 A 2 GLY C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -204.0 -11.0 PHI 235 235 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 ILE N 1.0 96.0 193.0 PSI 236 236 A 33 GLN C A 34 SER N A 34 SER CA A 34 SER C 1.0 -133.0 -40.0 PHI 237 237 A 34 SER N A 34 SER CA A 34 SER C A 35 LEU N 1.0 94.0 181.0 PSI 238 238 A 38 LYS C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -208.0 1.0 PHI 239 239 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 GLY N 1.0 106.0 196.0 PSI 240 240 A 48 ASP C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 55.0 115.0 PHI 241 241 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 GLN N 1.0 -32.0 31.0 PSI 242 242 A 55 GLY C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -113.0 -27.0 PHI 243 243 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 LEU N 1.0 -90.0 19.0 PSI 244 244 A 56 GLY C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -94.0 -34.0 PHI 245 245 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 PHE N 1.0 -71.0 -11.0 PSI 246 246 A 63 ASP C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -101.0 -41.0 PHI 247 247 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 GLN N 1.0 -54.0 5.0 PSI 248 248 A 68 ASN C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -114.0 -30.0 PHI 249 249 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 TRP N 1.0 106.0 172.0 PSI 250 250 A 90 HIS C A 91 ASN N A 91 ASN CA A 91 ASN C 1.0 -108.0 -32.0 PHI 251 251 A 91 ASN N A 91 ASN CA A 91 ASN C A 92 THR N 1.0 95.0 162.0 PSI 252 252 A 91 ASN C A 92 THR N A 92 THR CA A 92 THR C 1.0 -163.0 -12.0 PHI 253 253 A 92 THR N A 92 THR CA A 92 THR C A 93 SER N 1.0 100.0 165.0 PSI 254 254 A 103 GLY C A 104 TRP N A 104 TRP CA A 104 TRP C 1.0 -150.0 -18.0 PHI 255 255 A 104 TRP N A 104 TRP CA A 104 TRP C A 105 ASP N 1.0 102.0 168.0 PSI 256 256 A 106 PRO C A 107 ASP N A 107 ASP CA A 107 ASP C 1.0 -122.0 -60.0 PHI 257 257 A 107 ASP N A 107 ASP CA A 107 ASP C A 108 LYS N 1.0 -36.0 29.0 PSI 258 258 A 140 GLU C A 141 ASP N A 141 ASP CA A 141 ASP C 1.0 -144.0 -58.0 PHI 259 259 A 141 ASP N A 141 ASP CA A 141 ASP C A 142 ARG N 1.0 -49.0 54.0 PSI 260 260 A 154 VAL C A 155 ALA N A 155 ALA CA A 155 ALA C 1.0 -103.0 -43.0 PHI 261 261 A 155 ALA N A 155 ALA CA A 155 ALA C A 156 ASP N 1.0 -57.0 12.0 PSI stop_ save_