data_nef_c50269_7jxg save_entry_information_1 _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information_1 _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . save_ save_assembly_1 _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly_1 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 88 HIS NE2 2 1 FE2 FE 1 90 HIS NE2 2 1 FE2 FE 1 94 GLU OE1 2 1 FE2 FE 1 133 HIS NE2 2 1 FE2 FE 2 1 FE2 FE . . . . 2 1 FE2 FE . . . . stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 VAL middle . . 3 A 3 GLN middle . . 4 A 4 ALA middle . . 5 A 5 TRP middle . . 6 A 6 TYR middle . . 7 A 7 MET middle . . 8 A 8 ASP middle . . 9 A 9 ASP middle . . 10 A 10 ALA middle . . 11 A 11 PRO middle . false 12 A 12 GLY middle . false 13 A 13 ASP middle . . 14 A 14 PRO middle . false 15 A 15 ARG middle . . 16 A 16 GLN middle . . 17 A 17 PRO middle . false 18 A 18 HIS middle . . 19 A 19 ARG middle . . 20 A 20 PRO middle . false 21 A 21 ASP middle . . 22 A 22 PRO middle . true 23 A 23 GLY middle . false 24 A 24 ARG middle . . 25 A 25 PRO middle . false 26 A 26 VAL middle . . 27 A 27 GLY middle . false 28 A 28 LEU middle . . 29 A 29 GLU middle . . 30 A 30 GLN middle . . 31 A 31 LEU middle . . 32 A 32 ARG middle . . 33 A 33 ARG middle . . 34 A 34 LEU middle . . 35 A 35 GLY middle . false 36 A 36 VAL middle . . 37 A 37 LEU middle . . 38 A 38 TYR middle . . 39 A 39 TRP middle . . 40 A 40 LYS middle . . 41 A 41 LEU middle . . 42 A 42 ASP middle . . 43 A 43 ALA middle . . 44 A 44 ASP middle . . 45 A 45 LYS middle . . 46 A 46 TYR middle . . 47 A 47 GLU middle . . 48 A 48 ASN middle . . 49 A 49 ASP middle . . 50 A 50 PRO middle . false 51 A 51 GLU middle . . 52 A 52 LEU middle . . 53 A 53 GLU middle . . 54 A 54 LYS middle . . 55 A 55 ILE middle . . 56 A 56 ARG middle . . 57 A 57 ARG middle . . 58 A 58 GLU middle . . 59 A 59 ARG middle . . 60 A 60 ASN middle . . 61 A 61 TYR middle . . 62 A 62 SER middle . . 63 A 63 TRP middle . . 64 A 64 MET middle . . 65 A 65 ASP middle . . 66 A 66 ILE middle . . 67 A 67 ILE middle . . 68 A 68 THR middle . . 69 A 69 ILE middle . . 70 A 70 CYS middle . . 71 A 71 LYS middle . . 72 A 72 ASP middle . . 73 A 73 LYS middle . . 74 A 74 LEU middle . . 75 A 75 PRO middle . false 76 A 76 ASN middle . . 77 A 77 TYR middle . . 78 A 78 GLU middle . . 79 A 79 GLU middle . . 80 A 80 LYS middle . . 81 A 81 ILE middle . . 82 A 82 LYS middle . . 83 A 83 MET middle . . 84 A 84 PHE middle . . 85 A 85 TYR middle . . 86 A 86 GLU middle . . 87 A 87 GLU middle . . 88 A 88 HIS middle -HE2 . 89 A 89 LEU middle . . 90 A 90 HIS middle -HE2 . 91 A 91 LEU middle . . 92 A 92 ASP middle . . 93 A 93 ASP middle . . 94 A 94 GLU middle . . 95 A 95 ILE middle . . 96 A 96 ARG middle . . 97 A 97 TYR middle . . 98 A 98 ILE middle . . 99 A 99 LEU middle . . 100 A 100 ASP middle . . 101 A 101 GLY middle . false 102 A 102 SER middle . . 103 A 103 GLY middle . false 104 A 104 TYR middle . . 105 A 105 PHE middle . . 106 A 106 ASP middle . . 107 A 107 VAL middle . . 108 A 108 ARG middle . . 109 A 109 ASP middle . . 110 A 110 LYS middle . . 111 A 111 GLU middle . . 112 A 112 ASP middle . . 113 A 113 GLN middle . . 114 A 114 TRP middle . . 115 A 115 ILE middle . . 116 A 116 ARG middle . . 117 A 117 ILE middle . . 118 A 118 PHE middle . . 119 A 119 MET middle . . 120 A 120 GLU middle . . 121 A 121 LYS middle . . 122 A 122 GLY middle . false 123 A 123 ASP middle . . 124 A 124 MET middle . . 125 A 125 VAL middle . . 126 A 126 THR middle . . 127 A 127 LEU middle . . 128 A 128 PRO middle . false 129 A 129 ALA middle . . 130 A 130 GLY middle . false 131 A 131 ILE middle . . 132 A 132 TYR middle . . 133 A 133 HIS middle -HE2 . 134 A 134 ARG middle . . 135 A 135 PHE middle . . 136 A 136 THR middle . . 137 A 137 VAL middle . . 138 A 138 ASP middle . . 139 A 139 GLU middle . . 140 A 140 LYS middle . . 141 A 141 ASN middle . . 142 A 142 TYR middle . . 143 A 143 THR middle . . 144 A 144 LYS middle . . 145 A 145 ALA middle . . 146 A 146 MET middle . . 147 A 147 ARG middle . . 148 A 148 LEU middle . . 149 A 149 PHE middle . . 150 A 150 VAL middle . . 151 A 151 GLY middle . false 152 A 152 GLU middle . . 153 A 153 PRO middle . false 154 A 154 VAL middle . . 155 A 155 TRP middle . . 156 A 156 THR middle . . 157 A 157 ALA middle . . 158 A 158 TYR middle . . 159 A 159 ASN middle . . 160 A 160 ARG middle . . 161 A 161 PRO middle . false 162 A 162 ALA middle . . 163 A 163 ASP middle . . 164 A 164 HIS middle . . 165 A 165 PHE middle . . 166 A 166 GLU middle . . 167 A 167 ALA middle . . 168 A 168 ARG middle . . 169 A 169 GLY middle . false 170 A 170 GLN middle . . 171 A 171 TYR middle . . 172 A 172 VAL middle . . 173 A 173 LYS middle . . 174 A 174 PHE middle . . 175 A 175 LEU middle . . 176 A 176 ALA middle . . 177 A 177 GLN middle . . 178 A 178 THR middle . . 179 A 179 ALA end . . 180 B 1 FE2 . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.20 0.01 A 1 MET HA H 1 5.09 0.01 A 1 MET HBx H 1 1.97 0.01 A 1 MET HE% H 1 1.36 0.01 A 1 MET HGx H 1 2.67 0.01 A 1 MET CA C 13 55.14 0.01 A 1 MET CB C 13 35.63 0.01 A 1 MET CE C 13 14.28 0.01 A 1 MET N N 15 119.6 0.1 A 2 VAL H H 1 7.20 0.01 A 2 VAL HA H 1 3.99 0.01 A 2 VAL HB H 1 1.06 0.01 A 2 VAL HGx% H 1 0.28 0.01 A 2 VAL HGy% H 1 0.29 0.01 A 2 VAL CA C 13 60.39 0.01 A 2 VAL CB C 13 33.06 0.01 A 2 VAL CGx C 13 17.22 0.01 A 2 VAL CGy C 13 18.79 0.01 A 2 VAL N N 15 121.2 0.1 A 3 GLN H H 1 9.57 0.01 A 3 GLN HA H 1 4.60 0.01 A 3 GLN HBx H 1 2.29 0.01 A 3 GLN HBy H 1 2.29 0.01 A 3 GLN HGx H 1 2.47 0.01 A 3 GLN HGy H 1 2.73 0.01 A 3 GLN CA C 13 55.32 0.01 A 3 GLN CB C 13 29.42 0.01 A 3 GLN N N 15 129.2 0.1 A 4 ALA H H 1 8.32 0.01 A 4 ALA HA H 1 5.50 0.01 A 4 ALA HB% H 1 1.16 0.01 A 4 ALA CA C 13 50.9 0.01 A 4 ALA CB C 13 22.26 0.01 A 4 ALA N N 15 124.1 0.1 A 5 TRP H H 1 9.17 0.01 A 5 TRP HA H 1 5.48 0.01 A 5 TRP HBx H 1 3.16 0.01 A 5 TRP HBy H 1 3.70 0.01 A 5 TRP HD1 H 1 7.24 0.01 A 5 TRP HE1 H 1 9.25 0.01 A 5 TRP HZ2 H 1 7.64 0.01 A 5 TRP CA C 13 56.49 0.01 A 5 TRP CB C 13 30.96 0.01 A 5 TRP N N 15 120.6 0.1 A 5 TRP NE1 N 15 128.2 0.1 A 6 TYR H H 1 8.41 0.01 A 6 TYR HA H 1 4.90 0.01 A 6 TYR HBx H 1 3.02 0.01 A 6 TYR HBy H 1 3.24 0.01 A 6 TYR HDx H 1 6.80 0.01 A 6 TYR HEx H 1 5.50 0.01 A 6 TYR CA C 13 61.04 0.01 A 6 TYR CB C 13 38.26 0.01 A 6 TYR N N 15 119.7 0.1 A 7 MET H H 1 7.97 0.01 A 7 MET HA H 1 5.13 0.01 A 7 MET HBx H 1 2.87 0.01 A 7 MET HE% H 1 1.95 0.01 A 7 MET HGx H 1 2.46 0.01 A 7 MET HGy H 1 2.50 0.01 A 7 MET CA C 13 56.77 0.01 A 7 MET CB C 13 35.34 0.01 A 7 MET CE C 13 14.17 0.01 A 7 MET N N 15 123.7 0.1 A 8 ASP H H 1 8.20 0.01 A 8 ASP HA H 1 4.74 0.01 A 8 ASP HBx H 1 3.36 0.01 A 8 ASP CA C 13 53.98 0.01 A 8 ASP CB C 13 40.9 0.01 A 8 ASP N N 15 121.1 0.1 A 9 ASP H H 1 8.24 0.01 A 9 ASP HA H 1 4.99 0.01 A 9 ASP HBx H 1 2.89 0.01 A 9 ASP HBy H 1 2.96 0.01 A 9 ASP CA C 13 52.87 0.01 A 9 ASP CB C 13 41.05 0.01 A 9 ASP N N 15 118.5 0.1 A 10 ALA H H 1 8.41 0.01 A 10 ALA HA H 1 4.63 0.01 A 10 ALA HB% H 1 1.42 0.01 A 10 ALA CA C 13 50.45 0.01 A 10 ALA CB C 13 18.62 0.01 A 10 ALA N N 15 126.7 0.1 A 11 PRO HA H 1 4.54 0.01 A 11 PRO HBx H 1 1.98 0.01 A 11 PRO HBy H 1 2.24 0.01 A 11 PRO HDx H 1 3.72 0.01 A 11 PRO HDy H 1 3.87 0.01 A 11 PRO HGx H 1 1.47 0.01 A 11 PRO HGy H 1 1.59 0.01 A 11 PRO CA C 13 63.02 0.01 A 11 PRO CB C 13 32.03 0.01 A 11 PRO CD C 13 50.88 0.01 A 11 PRO CG C 13 28.98 0.01 A 12 GLY H H 1 8.14 0.01 A 12 GLY HAx H 1 3.78 0.01 A 12 GLY HAy H 1 4.22 0.01 A 12 GLY CA C 13 44.41 0.01 A 12 GLY N N 15 108.6 0.1 A 13 ASP H H 1 8.29 0.01 A 13 ASP HA H 1 4.68 0.01 A 13 ASP HBx H 1 2.64 0.01 A 13 ASP CA C 13 52.77 0.01 A 13 ASP CB C 13 42.56 0.01 A 13 ASP N N 15 121.9 0.1 A 14 PRO HA H 1 4.11 0.01 A 14 PRO HBx H 1 2.10 0.01 A 14 PRO HDx H 1 3.70 0.01 A 14 PRO CA C 13 65.63 0.01 A 14 PRO CB C 13 36.42 0.01 A 14 PRO CD C 13 51.00 0.01 A 15 ARG H H 1 8.22 0.01 A 15 ARG HA H 1 4.49 0.01 A 15 ARG HBx H 1 1.48 0.01 A 15 ARG HBy H 1 1.70 0.01 A 15 ARG HDx H 1 2.68 0.01 A 15 ARG HDy H 1 2.86 0.01 A 15 ARG HGx H 1 1.28 0.01 A 15 ARG CA C 13 56.75 0.01 A 15 ARG CB C 13 31.55 0.01 A 15 ARG N N 15 112.2 0.1 A 16 GLN H H 1 7.31 0.01 A 16 GLN HA H 1 4.45 0.01 A 16 GLN HBx H 1 1.68 0.01 A 16 GLN HGx H 1 2.14 0.01 A 16 GLN HGy H 1 2.40 0.01 A 16 GLN CA C 13 54.73 0.01 A 16 GLN CB C 13 27.07 0.01 A 16 GLN N N 15 115.8 0.2 A 17 PRO HA H 1 4.43 0.01 A 17 PRO HBx H 1 2.01 0.01 A 17 PRO HDx H 1 3.49 0.01 A 17 PRO HGx H 1 1.37 0.01 A 17 PRO HGy H 1 1.81 0.01 A 17 PRO CA C 13 66.32 0.01 A 17 PRO CB C 13 33.03 0.01 A 18 HIS H H 1 8.13 0.01 A 18 HIS HA H 1 3.90 0.01 A 18 HIS HBx H 1 3.34 0.01 A 18 HIS HBy H 1 3.48 0.01 A 18 HIS CA C 13 56.90 0.01 A 18 HIS CB C 13 26.42 0.01 A 18 HIS N N 15 107.1 0.1 A 19 ARG H H 1 7.92 0.01 A 19 ARG HA H 1 4.59 0.01 A 19 ARG HBx H 1 0.41 0.01 A 19 ARG HBy H 1 0.53 0.01 A 19 ARG HDx H 1 1.08 0.01 A 19 ARG HDy H 1 1.38 0.01 A 19 ARG HGy H 1 -0.06 0.01 A 19 ARG HGx H 1 -0.33 0.01 A 19 ARG CA C 13 53.44 0.01 A 19 ARG CB C 13 32.77 0.01 A 19 ARG CD C 13 49.34 0.01 A 19 ARG CG C 13 26.41 0.01 A 19 ARG N N 15 120.8 0.1 A 20 PRO HA H 1 4.43 0.01 A 20 PRO HBx H 1 1.98 0.01 A 20 PRO HBy H 1 2.31 0.01 A 20 PRO HDx H 1 3.66 0.01 A 20 PRO HDy H 1 4.12 0.01 A 20 PRO HGx H 1 2.07 0.01 A 20 PRO HGy H 1 2.26 0.01 A 20 PRO CA C 13 63.24 0.01 A 20 PRO CB C 13 33.16 0.01 A 20 PRO CD C 13 57.10 0.01 A 20 PRO CG C 13 27.69 0.01 A 21 ASP H H 1 8.12 0.01 A 21 ASP HA H 1 4.67 0.01 A 21 ASP HBy H 1 2.77 0.01 A 21 ASP HBx H 1 2.66 0.01 A 21 ASP CA C 13 52.25 0.01 A 21 ASP CB C 13 44.00 0.01 A 21 ASP N N 15 120.3 0.1 A 22 PRO HA H 1 4.84 0.01 A 22 PRO HBx H 1 2.07 0.01 A 22 PRO HBy H 1 2.40 0.01 A 22 PRO HDx H 1 3.52 0.01 A 22 PRO HDy H 1 3.57 0.01 A 22 PRO HGx H 1 1.93 0.01 A 22 PRO CA C 13 63.71 0.01 A 22 PRO CB C 13 34.41 0.01 A 22 PRO CD C 13 50.32 0.01 A 22 PRO CG C 13 25.49 0.01 A 23 GLY H H 1 8.51 0.01 A 23 GLY HAx H 1 3.82 0.01 A 23 GLY HAy H 1 4.12 0.01 A 23 GLY CA C 13 45.51 0.01 A 23 GLY N N 15 108.7 0.1 A 24 ARG H H 1 9.16 0.01 A 24 ARG HA H 1 4.97 0.01 A 24 ARG HBx H 1 2.01 0.01 A 24 ARG HBy H 1 2.20 0.01 A 24 ARG HDx H 1 3.12 0.01 A 24 ARG HDy H 1 3.18 0.01 A 24 ARG HGx H 1 1.66 0.01 A 24 ARG HGy H 1 1.79 0.01 A 24 ARG CA C 13 53.61 0.01 A 24 ARG CB C 13 32.91 0.01 A 24 ARG CD C 13 44.22 0.01 A 24 ARG CG C 13 27.96 0.01 A 24 ARG N N 15 122.8 0.1 A 25 PRO HA H 1 5.03 0.01 A 25 PRO HBx H 1 2.03 0.01 A 25 PRO HBy H 1 2.54 0.01 A 25 PRO HDx H 1 3.64 0.01 A 25 PRO HDy H 1 3.83 0.01 A 25 PRO HGx H 1 2.06 0.01 A 25 PRO CA C 13 62.87 0.01 A 25 PRO CB C 13 32.80 0.01 A 25 PRO CD C 13 50.72 0.01 A 25 PRO CG C 13 27.09 0.01 A 26 VAL H H 1 8.09 0.01 A 26 VAL HA H 1 4.19 0.01 A 26 VAL HB H 1 1.37 0.01 A 26 VAL HG1% H 1 0.72 0.01 A 26 VAL HG2% H 1 -0.65 0.01 A 26 VAL CA C 13 61.73 0.01 A 26 VAL CB C 13 34.40 0.01 A 26 VAL CG1 C 13 18.20 0.01 A 26 VAL CG2 C 13 20.03 0.01 A 26 VAL N N 15 123.2 0.1 A 27 GLY H H 1 8.31 0.01 A 27 GLY HAx H 1 3.80 0.01 A 27 GLY HAy H 1 4.45 0.01 A 27 GLY CA C 13 43.34 0.01 A 27 GLY N N 15 113.6 0.1 A 28 LEU H H 1 8.31 0.01 A 28 LEU HA H 1 3.57 0.01 A 28 LEU HBx H 1 1.41 0.01 A 28 LEU HBy H 1 1.42 0.01 A 28 LEU HD1% H 1 0.66 0.01 A 28 LEU HD2% H 1 -0.64 0.01 A 28 LEU HG H 1 1.37 0.01 A 28 LEU CA C 13 57.95 0.01 A 28 LEU CB C 13 42.34 0.01 A 28 LEU CD1 C 13 24.52 0.01 A 28 LEU CD2 C 13 26.89 0.01 A 28 LEU CG C 13 26.72 0.01 A 28 LEU N N 15 119.3 0.1 A 29 GLU H H 1 8.77 0.01 A 29 GLU HA H 1 3.82 0.01 A 29 GLU HBx H 1 1.88 0.01 A 29 GLU HBy H 1 1.93 0.01 A 29 GLU HGx H 1 2.14 0.01 A 29 GLU CA C 13 59.29 0.01 A 29 GLU CB C 13 28.08 0.01 A 29 GLU N N 15 119.3 0.1 A 30 GLN H H 1 7.56 0.01 A 30 GLN HA H 1 3.79 0.01 A 30 GLN HBx H 1 2.08 0.01 A 30 GLN HGx H 1 2.40 0.01 A 30 GLN CA C 13 59.15 0.01 A 30 GLN CB C 13 28.14 0.01 A 30 GLN N N 15 119.1 0.1 A 31 LEU H H 1 7.27 0.01 A 31 LEU HA H 1 3.66 0.01 A 31 LEU HBx H 1 0.75 0.01 A 31 LEU HBy H 1 1.55 0.01 A 31 LEU HD1% H 1 0.60 0.01 A 31 LEU HD2% H 1 -0.64 0.01 A 31 LEU HG H 1 1.37 0.01 A 31 LEU CA C 13 57.53 0.01 A 31 LEU CB C 13 40.12 0.01 A 31 LEU CD1 C 13 23.95 0.01 A 31 LEU CD2 C 13 24.91 0.01 A 31 LEU CG C 13 26.87 0.01 A 31 LEU N N 15 118.1 0.1 A 32 ARG H H 1 8.43 0.01 A 32 ARG HA H 1 3.87 0.01 A 32 ARG HBx H 1 1.76 0.01 A 32 ARG HBy H 1 2.04 0.01 A 32 ARG HDy H 1 2.87 0.01 A 32 ARG HDx H 1 2.73 0.01 A 32 ARG HGx H 1 1.30 0.01 A 32 ARG CA C 13 58.94 0.01 A 32 ARG CB C 13 28.49 0.01 A 32 ARG CD C 13 43.61 0.01 A 32 ARG N N 15 121.9 0.1 A 33 ARG H H 1 7.48 0.01 A 33 ARG HA H 1 3.84 0.01 A 33 ARG HBx H 1 1.72 0.01 A 33 ARG HDx H 1 2.80 0.01 A 33 ARG HDy H 1 3.03 0.01 A 33 ARG HGx H 1 1.55 0.01 A 33 ARG CA C 13 58.47 0.01 A 33 ARG CB C 13 29.52 0.01 A 33 ARG N N 15 120.3 0.1 A 34 LEU H H 1 7.06 0.01 A 34 LEU HA H 1 4.28 0.01 A 34 LEU HBx H 1 1.35 0.01 A 34 LEU HBy H 1 1.83 0.01 A 34 LEU HDx% H 1 0.82 0.01 A 34 LEU HDy% H 1 0.91 0.01 A 34 LEU HG H 1 1.84 0.01 A 34 LEU CA C 13 53.93 0.01 A 34 LEU CB C 13 42.55 0.01 A 34 LEU CDx C 13 22.01 0.01 A 34 LEU CDy C 13 24.40 0.01 A 34 LEU CG C 13 26.20 0.01 A 34 LEU N N 15 125.8 0.1 A 35 GLY H H 1 7.88 0.01 A 35 GLY HAx H 1 2.96 0.01 A 35 GLY HAy H 1 3.42 0.01 A 35 GLY CA C 13 44.13 0.01 A 35 GLY N N 15 114.6 0.1 A 36 VAL H H 1 6.82 0.01 A 36 VAL HA H 1 2.94 0.01 A 36 VAL HB H 1 1.12 0.01 A 36 VAL HGx% H 1 0.20 0.01 A 36 VAL HGy% H 1 0.26 0.01 A 36 VAL CA C 13 61.1 0.01 A 36 VAL CB C 13 30.91 0.01 A 36 VAL CGy C 13 20.74 0.01 A 36 VAL CGx C 13 19.62 0.01 A 36 VAL N N 15 120.8 0.1 A 37 LEU H H 1 6.50 0.01 A 37 LEU HA H 1 3.59 0.01 A 37 LEU HBx H 1 -0.18 0.01 A 37 LEU HBy H 1 0.36 0.01 A 37 LEU HDx% H 1 0.15 0.01 A 37 LEU HDy% H 1 0.07 0.01 A 37 LEU HG H 1 0.54 0.01 A 37 LEU CA C 13 52.30 0.01 A 37 LEU CB C 13 42.63 0.01 A 37 LEU CDx C 13 22.01 0.01 A 37 LEU CDy C 13 24.40 0.01 A 37 LEU CG C 13 26.26 0.01 A 37 LEU N N 15 125.8 0.1 A 38 TYR H H 1 6.29 0.01 A 38 TYR HA H 1 4.93 0.01 A 38 TYR HBx H 1 1.88 0.01 A 38 TYR HBy H 1 2.04 0.01 A 38 TYR HDx H 1 6.48 0.01 A 38 TYR CA C 13 55.62 0.01 A 38 TYR CB C 13 42.90 0.01 A 38 TYR N N 15 119.2 0.1 A 39 TRP H H 1 8.29 0.01 A 39 TRP HA H 1 4.02 0.01 A 39 TRP HBx H 1 2.28 0.01 A 39 TRP HBy H 1 2.55 0.01 A 39 TRP HD1 H 1 6.77 0.01 A 39 TRP HE1 H 1 9.49 0.01 A 39 TRP HE3 H 1 6.56 0.01 A 39 TRP HH2 H 1 6.18 0.01 A 39 TRP HZ2 H 1 6.17 0.01 A 39 TRP HZ3 H 1 6.36 0.01 A 39 TRP CA C 13 57.47 0.01 A 39 TRP CB C 13 33.67 0.01 A 39 TRP N N 15 128.5 0.1 A 39 TRP NE1 N 15 127.2 0.1 A 40 LYS H H 1 7.57 0.01 A 40 LYS HA H 1 4.88 0.01 A 40 LYS HBx H 1 1.50 0.01 A 40 LYS HBy H 1 1.66 0.01 A 40 LYS HGx H 1 1.34 0.01 A 40 LYS CA C 13 54.48 0.01 A 40 LYS CB C 13 33.76 0.01 A 40 LYS N N 15 119.7 0.1 A 41 LEU H H 1 9.50 0.01 A 41 LEU HA H 1 4.54 0.01 A 41 LEU HBx H 1 1.25 0.01 A 41 LEU HBy H 1 1.52 0.01 A 41 LEU HD1% H 1 0.22 0.01 A 41 LEU HD2% H 1 0.36 0.01 A 41 LEU HG H 1 0.84 0.01 A 41 LEU CA C 13 53.49 0.01 A 41 LEU CB C 13 45.63 0.01 A 41 LEU CD1 C 13 26.66 0.01 A 41 LEU CD2 C 13 23.96 0.01 A 41 LEU CG C 13 24.37 0.01 A 41 LEU N N 15 131.0 0.1 A 42 ASP H H 1 8.82 0.01 A 42 ASP HA H 1 4.65 0.01 A 42 ASP HBx H 1 2.32 0.01 A 42 ASP HBy H 1 2.80 0.01 A 42 ASP CA C 13 52.50 0.01 A 42 ASP CB C 13 40.12 0.01 A 42 ASP N N 15 118.0 0.1 A 43 ALA H H 1 8.46 0.01 A 43 ALA HA H 1 4.55 0.01 A 43 ALA HB% H 1 1.38 0.01 A 43 ALA CA C 13 54.30 0.01 A 43 ALA CB C 13 19.62 0.01 A 43 ALA N N 15 131.8 0.1 A 44 ASP H H 1 8.29 0.01 A 44 ASP HA H 1 4.68 0.01 A 44 ASP HBx H 1 2.72 0.01 A 44 ASP HBy H 1 2.72 0.01 A 44 ASP CA C 13 56.56 0.01 A 44 ASP CB C 13 40.41 0.01 A 44 ASP N N 15 117.2 0.1 A 45 LYS H H 1 7.60 0.01 A 45 LYS HA H 1 4.48 0.01 A 45 LYS HBx H 1 1.55 0.01 A 45 LYS HBy H 1 1.61 0.01 A 45 LYS HEx H 1 2.86 0.01 A 45 LYS CA C 13 55.13 0.01 A 45 LYS CB C 13 32.61 0.01 A 45 LYS N N 15 118.1 0.1 A 46 TYR H H 1 6.80 0.01 A 46 TYR HA H 1 4.05 0.01 A 46 TYR HBx H 1 2.92 0.01 A 46 TYR HBy H 1 3.14 0.01 A 46 TYR HDy H 1 6.88 0.01 A 46 TYR HEx H 1 6.68 0.01 A 46 TYR CA C 13 60.79 0.01 A 46 TYR CB C 13 37.49 0.01 A 46 TYR N N 15 117.3 0.1 A 47 GLU H H 1 7.69 0.01 A 47 GLU HA H 1 3.60 0.01 A 47 GLU HBx H 1 1.31 0.01 A 47 GLU HBy H 1 1.66 0.01 A 47 GLU HGx H 1 2.59 0.01 A 47 GLU CA C 13 58.32 0.01 A 47 GLU CB C 13 29.69 0.01 A 47 GLU N N 15 121.1 0.1 A 48 ASN H H 1 7.90 0.01 A 48 ASN HA H 1 4.61 0.01 A 48 ASN HBx H 1 2.51 0.01 A 48 ASN HBy H 1 2.71 0.01 A 48 ASN CA C 13 52.75 0.01 A 48 ASN CB C 13 38.42 0.01 A 48 ASN N N 15 116.7 0.1 A 49 ASP H H 1 8.52 0.01 A 49 ASP HA H 1 4.98 0.01 A 49 ASP HBx H 1 2.64 0.01 A 49 ASP HBy H 1 2.79 0.01 A 49 ASP CA C 13 50.80 0.01 A 49 ASP CB C 13 42.61 0.01 A 49 ASP N N 15 122.5 0.1 A 50 PRO HA H 1 4.16 0.01 A 50 PRO HBx H 1 1.82 0.01 A 50 PRO HBy H 1 2.27 0.01 A 50 PRO HDx H 1 3.89 0.01 A 50 PRO HDy H 1 3.96 0.01 A 50 PRO HGx H 1 1.91 0.01 A 50 PRO HGy H 1 1.97 0.01 A 50 PRO CA C 13 64.33 0.01 A 50 PRO CB C 13 32.08 0.01 A 50 PRO CD C 13 51.29 0.01 A 50 PRO CG C 13 27.19 0.01 A 51 GLU H H 1 8.26 0.01 A 51 GLU HA H 1 3.88 0.01 A 51 GLU HBx H 1 2.02 0.01 A 51 GLU HGx H 1 2.17 0.01 A 51 GLU CA C 13 58.95 0.01 A 51 GLU CB C 13 32.58 0.01 A 51 GLU N N 15 119.2 0.1 A 52 LEU H H 1 6.55 0.01 A 52 LEU HA H 1 3.58 0.01 A 52 LEU HBx H 1 1.20 0.01 A 52 LEU HBy H 1 1.92 0.01 A 52 LEU HDx% H 1 0.32 0.01 A 52 LEU HDy% H 1 1.45 0.01 A 52 LEU HG H 1 1.06 0.01 A 52 LEU CA C 13 57.13 0.01 A 52 LEU CB C 13 40.90 0.01 A 52 LEU CDx C 13 21.59 0.01 A 52 LEU CDy C 13 26.17 0.01 A 52 LEU CG C 13 28.85 0.01 A 52 LEU N N 15 121.1 0.01 A 53 GLU H H 1 7.814 0.01 A 53 GLU HA H 1 3.611 0.01 A 53 GLU HBx H 1 2.151 0.01 A 53 GLU HGx H 1 2.33 0.01 A 53 GLU CA C 13 59.10 0.01 A 53 GLU CB C 13 28.75 0.01 A 53 GLU N N 15 117.2 0.1 A 54 LYS H H 1 7.55 0.01 A 54 LYS HA H 1 3.67 0.01 A 54 LYS HBx H 1 1.69 0.01 A 54 LYS HBy H 1 1.77 0.01 A 54 LYS HDx H 1 1.47 0.01 A 54 LYS HEx H 1 2.75 0.01 A 54 LYS HEy H 1 2.81 0.01 A 54 LYS HGx H 1 1.04 0.01 A 54 LYS HGy H 1 1.25 0.01 A 54 LYS CA C 13 59.76 0.01 A 54 LYS CB C 13 32.47 0.01 A 54 LYS CE C 13 41.93 0.01 A 54 LYS CG C 13 24.44 0.01 A 54 LYS N N 15 120.6 0.1 A 55 ILE H H 1 7.11 0.01 A 55 ILE HA H 1 3.12 0.01 A 55 ILE HB H 1 1.01 0.01 A 55 ILE HD1% H 1 -0.42 0.01 A 55 ILE HG1y H 1 1.14 0.01 A 55 ILE HG1x H 1 0.03 0.01 A 55 ILE HG2% H 1 -0.46 0.01 A 55 ILE CA C 13 64.92 0.01 A 55 ILE CB C 13 38.54 0.01 A 55 ILE CD1 C 13 14.21 0.01 A 55 ILE CG1 C 13 28.73 0.01 A 55 ILE CG2 C 13 16.57 0.01 A 55 ILE N N 15 120.7 0.1 A 56 ARG H H 1 8.21 0.01 A 56 ARG HA H 1 3.33 0.01 A 56 ARG HBx H 1 1.70 0.01 A 56 ARG HBy H 1 1.96 0.01 A 56 ARG HDx H 1 2.73 0.01 A 56 ARG HDy H 1 2.90 0.01 A 56 ARG CA C 13 60.29 0.01 A 56 ARG CB C 13 29.70 0.01 A 56 ARG N N 15 114.9 0.1 A 57 ARG H H 1 7.95 0.01 A 57 ARG HA H 1 3.81 0.01 A 57 ARG HBy H 1 1.69 0.01 A 57 ARG HBx H 1 1.06 0.01 A 57 ARG HDx H 1 2.92 0.01 A 57 ARG HDy H 1 3.01 0.01 A 57 ARG HGx H 1 1.29 0.01 A 57 ARG CA C 13 58.70 0.01 A 57 ARG CB C 13 29.91 0.01 A 57 ARG N N 15 118.9 0.1 A 58 GLU H H 1 8.08 0.01 A 58 GLU HA H 1 3.63 0.01 A 58 GLU HBx H 1 1.39 0.01 A 58 GLU HGx H 1 2.65 0.01 A 58 GLU CA C 13 58.90 0.01 A 58 GLU CB C 13 27.14 0.01 A 58 GLU N N 15 119.7 0.1 A 59 ARG H H 1 7.31 0.01 A 59 ARG HA H 1 3.67 0.01 A 59 ARG HBx H 1 0.65 0.01 A 59 ARG HBy H 1 0.91 0.01 A 59 ARG HDy H 1 3.11 0.01 A 59 ARG HDx H 1 2.83 0.01 A 59 ARG HGx H 1 -0.35 0.01 A 59 ARG CA C 13 54.23 0.01 A 59 ARG CB C 13 30.01 0.01 A 59 ARG CG C 13 27.41 0.01 A 59 ARG N N 15 113.8 0.1 A 60 ASN H H 1 6.90 0.01 A 60 ASN HA H 1 4.03 0.01 A 60 ASN HBx H 1 2.54 0.01 A 60 ASN HBy H 1 3.05 0.01 A 60 ASN CA C 13 54.09 0.01 A 60 ASN CB C 13 36.69 0.01 A 60 ASN N N 15 114.5 0.1 A 61 TYR H H 1 8.09 0.01 A 61 TYR HA H 1 4.99 0.01 A 61 TYR HBx H 1 1.70 0.01 A 61 TYR HBy H 1 2.80 0.01 A 61 TYR HDx H 1 6.13 0.01 A 61 TYR HEx H 1 5.66 0.01 A 61 TYR CA C 13 51.45 0.01 A 61 TYR CB C 13 40.07 0.01 A 61 TYR N N 15 117.1 0.1 A 62 SER H H 1 8.36 0.01 A 62 SER HA H 1 4.17 0.01 A 62 SER HBx H 1 3.74 0.01 A 62 SER CA C 13 59.30 0.01 A 62 SER CB C 13 63.93 0.01 A 62 SER N N 15 120.2 0.1 A 63 TRP H H 1 8.63 0.01 A 63 TRP HA H 1 4.76 0.01 A 63 TRP HBx H 1 3.09 0.01 A 63 TRP HBy H 1 3.53 0.01 A 63 TRP HD1 H 1 6.77 0.01 A 63 TRP HE1 H 1 10.3 0.01 A 63 TRP HE3 H 1 6.53 0.01 A 63 TRP HZ2 H 1 7.94 0.01 A 63 TRP HZ3 H 1 7.34 0.01 A 63 TRP CA C 13 58.15 0.01 A 63 TRP CB C 13 34.13 0.01 A 63 TRP N N 15 128.1 0.1 A 63 TRP NE1 N 15 129.7 0.1 A 64 MET H H 1 7.29 0.01 A 64 MET HA H 1 5.78 0.01 A 64 MET HBx H 1 1.95 0.01 A 64 MET HE% H 1 1.94 0.01 A 64 MET HGy H 1 2.80 0.01 A 64 MET HGx H 1 2.51 0.01 A 64 MET CA C 13 54.97 0.01 A 64 MET CB C 13 36.70 0.01 A 64 MET CE C 13 14.15 0.01 A 64 MET N N 15 124.6 0.1 A 65 ASP H H 1 9.12 0.01 A 65 ASP HA H 1 4.34 0.01 A 65 ASP HBx H 1 2.96 0.01 A 65 ASP HBy H 1 3.14 0.01 A 65 ASP CA C 13 53.72 0.01 A 65 ASP CB C 13 42.87 0.01 A 65 ASP N N 15 122.7 0.1 A 66 ILE H H 1 7.92 0.01 A 66 ILE HA H 1 5.10 0.01 A 66 ILE HB H 1 1.59 0.01 A 66 ILE HD1% H 1 0.72 0.01 A 66 ILE HG1x H 1 1.67 0.01 A 66 ILE HG2% H 1 0.62 0.01 A 66 ILE CA C 13 60.79 0.01 A 66 ILE CB C 13 41.42 0.01 A 66 ILE CD1 C 13 13.99 0.01 A 66 ILE CG1 C 13 27.61 0.01 A 66 ILE CG2 C 13 17.68 0.01 A 66 ILE N N 15 116.2 0.1 A 67 ILE H H 1 9.59 0.01 A 67 ILE HA H 1 4.96 0.01 A 67 ILE HB H 1 2.00 0.01 A 67 ILE HD1% H 1 1.20 0.01 A 67 ILE HG1x H 1 1.83 0.01 A 67 ILE HG2% H 1 0.62 0.01 A 67 ILE CA C 13 59.39 0.01 A 67 ILE CB C 13 42.29 0.01 A 67 ILE CD1 C 13 14.18 0.01 A 67 ILE CG1 C 13 30.54 0.01 A 67 ILE CG2 C 13 17.12 0.01 A 67 ILE N N 15 126.3 0.1 A 68 THR H H 1 8.35 0.01 A 68 THR HA H 1 4.69 0.01 A 68 THR HB H 1 3.96 0.01 A 68 THR HG2% H 1 1.22 0.01 A 68 THR CA C 13 62.67 0.01 A 68 THR CB C 13 69.04 0.01 A 68 THR CG2 C 13 17.04 0.01 A 68 THR N N 15 120.5 0.1 A 69 ILE H H 1 9.45 0.01 A 69 ILE HA H 1 4.06 0.01 A 69 ILE HB H 1 2.25 0.01 A 69 ILE HD1% H 1 0.84 0.01 A 69 ILE HG1x H 1 0.89 0.01 A 69 ILE HG2% H 1 0.99 0.01 A 69 ILE CA C 13 61.06 0.01 A 69 ILE CB C 13 38.07 0.01 A 69 ILE CD1 C 13 13.75 0.01 A 69 ILE CG1 C 13 26.89 0.01 A 69 ILE CG2 C 13 18.62 0.01 A 69 ILE N N 15 128.6 0.1 A 70 CYS H H 1 7.01 0.01 A 70 CYS HA H 1 4.68 0.01 A 70 CYS HBx H 1 3.36 0.01 A 70 CYS HBy H 1 3.66 0.01 A 70 CYS CA C 13 56.60 0.01 A 70 CYS CB C 13 29.27 0.01 A 70 CYS N N 15 116.7 0.1 A 71 LYS H H 1 8.72 0.01 A 71 LYS HA H 1 3.08 0.01 A 71 LYS HBx H 1 1.15 0.01 A 71 LYS HBy H 1 1.35 0.01 A 71 LYS HGx H 1 0.99 0.01 A 71 LYS CA C 13 59.33 0.01 A 71 LYS CB C 13 31.71 0.01 A 71 LYS N N 15 124.7 0.1 A 72 ASP H H 1 8.31 0.01 A 72 ASP HA H 1 4.53 0.01 A 72 ASP HBx H 1 2.56 0.01 A 72 ASP CA C 13 55.77 0.01 A 72 ASP CB C 13 40.84 0.01 A 72 ASP N N 15 115.0 0.1 A 73 LYS H H 1 7.07 0.01 A 73 LYS HA H 1 4.54 0.01 A 73 LYS HBx H 1 1.78 0.01 A 73 LYS HEx H 1 3.77 0.01 A 73 LYS HGx H 1 1.25 0.01 A 73 LYS CA C 13 55.32 0.01 A 73 LYS CB C 13 32.79 0.01 A 73 LYS N N 15 114.9 0.1 A 74 LEU H H 1 7.49 0.01 A 74 LEU HA H 1 5.02 0.01 A 74 LEU HBx H 1 1.77 0.01 A 74 LEU HBy H 1 1.98 0.01 A 74 LEU HDx% H 1 0.78 0.01 A 74 LEU HDy% H 1 0.94 0.01 A 74 LEU HG H 1 1.51 0.01 A 74 LEU CA C 13 51.38 0.01 A 74 LEU CB C 13 44.02 0.01 A 74 LEU CDy C 13 26.26 0.01 A 74 LEU CDx C 13 24.58 0.01 A 74 LEU CG C 13 29.25 0.01 A 74 LEU N N 15 122.7 0.1 A 75 PRO HA H 1 4.30 0.01 A 75 PRO HDx H 1 3.54 0.01 A 75 PRO HDy H 1 3.95 0.01 A 75 PRO CA C 13 62.92 0.01 A 75 PRO CD C 13 49.97 0.01 A 76 ASN H H 1 8.80 0.01 A 76 ASN HA H 1 4.17 0.01 A 76 ASN HBx H 1 2.35 0.01 A 76 ASN HBy H 1 2.59 0.01 A 76 ASN CA C 13 53.42 0.01 A 76 ASN CB C 13 36.95 0.01 A 76 ASN N N 15 118.8 0.1 A 77 TYR H H 1 7.30 0.01 A 77 TYR HA H 1 3.23 0.01 A 77 TYR HBx H 1 2.56 0.01 A 77 TYR HBy H 1 3.46 0.01 A 77 TYR HDx H 1 6.64 0.01 A 77 TYR HEx H 1 6.32 0.01 A 77 TYR CA C 13 62.87 0.01 A 77 TYR CB C 13 39.42 0.01 A 77 TYR N N 15 117.9 0.1 A 78 GLU H H 1 8.65 0.01 A 78 GLU HA H 1 3.19 0.01 A 78 GLU HBx H 1 1.59 0.01 A 78 GLU HBy H 1 1.67 0.01 A 78 GLU HGy H 1 2.18 0.01 A 78 GLU HGx H 1 1.95 0.01 A 78 GLU CA C 13 59.98 0.01 A 78 GLU CB C 13 28.39 0.01 A 78 GLU CG C 13 36.96 0.01 A 78 GLU N N 15 115.8 0.1 A 79 GLU H H 1 7.27 0.01 A 79 GLU HA H 1 3.28 0.01 A 79 GLU HBx H 1 1.36 0.01 A 79 GLU HGx H 1 1.69 0.01 A 79 GLU CA C 13 58.30 0.01 A 79 GLU CB C 13 28.85 0.01 A 79 GLU N N 15 118.3 0.1 A 80 LYS H H 1 7.40 0.01 A 80 LYS HA H 1 2.25 0.01 A 80 LYS HBx H 1 -0.02 0.01 A 80 LYS HBy H 1 0.86 0.01 A 80 LYS HGy H 1 0.49 0.01 A 80 LYS HGx H 1 0.15 0.01 A 80 LYS CA C 13 57.29 0.01 A 80 LYS CB C 13 30.86 0.01 A 80 LYS N N 15 119.9 0.1 A 81 ILE H H 1 7.41 0.01 A 81 ILE HA H 1 2.68 0.01 A 81 ILE HB H 1 1.14 0.01 A 81 ILE HD1% H 1 0.27 0.01 A 81 ILE HG1x H 1 0.42 0.01 A 81 ILE HG1y H 1 0.50 0.01 A 81 ILE HG2% H 1 0.14 0.01 A 81 ILE CA C 13 62.33 0.01 A 81 ILE CB C 13 35.72 0.01 A 81 ILE CD1 C 13 11.91 0.01 A 81 ILE CG1 C 13 25.61 0.01 A 81 ILE CG2 C 13 17.35 0.01 A 81 ILE N N 15 113.3 0.01 A 82 LYS H H 1 6.04 0.01 A 82 LYS HA H 1 3.18 0.01 A 82 LYS HBx H 1 1.00 0.01 A 82 LYS HBy H 1 1.05 0.01 A 82 LYS HEx H 1 2.45 0.01 A 82 LYS HGx H 1 0.68 0.01 A 82 LYS HGy H 1 0.92 0.01 A 82 LYS CA C 13 58.66 0.01 A 82 LYS CB C 13 31.25 0.01 A 82 LYS CG C 13 24.28 0.01 A 82 LYS N N 15 120.7 0.1 A 83 MET H H 1 5.76 0.01 A 83 MET HA H 1 1.65 0.01 A 83 MET HBx H 1 -0.82 0.01 A 83 MET HBy H 1 0.10 0.01 A 83 MET HE% H 1 -0.34 0.01 A 83 MET HGx H 1 -0.43 0.01 A 83 MET HGy H 1 -0.23 0.01 A 83 MET CA C 13 56.23 0.01 A 83 MET CB C 13 29.13 0.01 A 83 MET CE C 13 12.15 0.01 A 83 MET CG C 13 26.49 0.01 A 83 MET N N 15 118.3 0.01 A 84 PHE H H 1 7.45 0.01 A 84 PHE HB2 H 1 4.15 0.01 A 84 PHE CA C 13 61.38 0.01 A 84 PHE N N 15 113.2 0.1 A 89 LEU HA H 1 4.61 0.01 A 89 LEU HB2 H 1 1.47 0.01 A 89 LEU HB3 H 1 1.96 0.01 A 89 LEU HD11 H 1 -0.05 0.01 A 89 LEU HD12 H 1 -0.05 0.01 A 89 LEU HD13 H 1 -0.05 0.01 A 89 LEU HD21 H 1 0.56 0.01 A 89 LEU HD22 H 1 0.56 0.01 A 89 LEU HD23 H 1 0.56 0.01 A 89 LEU CA C 13 53.47 0.01 A 89 LEU CB C 13 43.04 0.01 A 89 LEU CD1 C 13 26.70 0.01 A 89 LEU CD2 C 13 26.49 0.01 A 92 ASP HA H 1 4.67 0.01 A 92 ASP HB2 H 1 2.41 0.01 A 92 ASP HB3 H 1 2.69 0.01 A 92 ASP CA C 13 50.88 0.01 A 92 ASP CB C 13 41.41 0.01 A 95 ILE H H 1 8.95 0.01 A 95 ILE HA H 1 4.61 0.01 A 95 ILE HB H 1 0.40 0.01 A 95 ILE HD1% H 1 0.41 0.01 A 95 ILE HG1x H 1 -0.61 0.01 A 95 ILE HG1y H 1 -0.10 0.01 A 95 ILE HG2% H 1 -0.52 0.01 A 95 ILE CA C 13 60.31 0.01 A 95 ILE CB C 13 38.00 0.01 A 95 ILE CD1 C 13 16.92 0.01 A 95 ILE CG1 C 13 26.48 0.01 A 95 ILE CG2 C 13 20.41 0.01 A 95 ILE N N 15 116.2 0.1 A 96 ARG H H 1 7.70 0.01 A 96 ARG HA H 1 3.90 0.01 A 96 ARG HBx H 1 1.95 0.01 A 96 ARG HDx H 1 2.77 0.01 A 96 ARG HGx H 1 1.74 0.01 A 96 ARG CA C 13 53.29 0.01 A 96 ARG N N 15 118.7 0.1 A 97 TYR H H 1 10.63 0.01 A 97 TYR HA H 1 4.95 0.01 A 97 TYR HBx H 1 2.01 0.01 A 97 TYR HBy H 1 2.05 0.01 A 97 TYR HDx H 1 6.57 0.01 A 97 TYR HEx H 1 6.34 0.01 A 97 TYR CA C 13 59.43 0.01 A 97 TYR CB C 13 42.80 0.01 A 97 TYR N N 15 113.2 0.01 A 98 ILE H H 1 9.47 0.01 A 98 ILE HA H 1 3.97 0.01 A 98 ILE HB H 1 2.47 0.01 A 98 ILE HD1% H 1 0.68 0.01 A 98 ILE HG1x H 1 1.18 0.01 A 98 ILE HG1y H 1 1.19 0.01 A 98 ILE HG2% H 1 0.50 0.01 A 98 ILE CA C 13 59.95 0.01 A 98 ILE CB C 13 38.43 0.01 A 98 ILE CD1 C 13 8.20 0.01 A 98 ILE CG1 C 13 25.50 0.01 A 98 ILE CG2 C 13 18.44 0.01 A 98 ILE N N 15 128.3 0.1 A 99 LEU H H 1 8.38 0.01 A 99 LEU HA H 1 3.90 0.01 A 99 LEU HBx H 1 0.92 0.01 A 99 LEU HBy H 1 1.10 0.01 A 99 LEU HDx% H 1 -0.35 0.01 A 99 LEU HDy% H 1 -0.03 0.01 A 99 LEU HG H 1 1.20 0.01 A 99 LEU CA C 13 54.49 0.01 A 99 LEU CB C 13 42.70 0.01 A 99 LEU CDx C 13 21.02 0.01 A 99 LEU CDy C 13 25.74 0.01 A 99 LEU CG C 13 25.81 0.01 A 99 LEU N N 15 128.5 0.1 A 100 ASP H H 1 7.96 0.01 A 100 ASP HA H 1 4.71 0.01 A 100 ASP HBx H 1 2.46 0.01 A 100 ASP HBy H 1 2.83 0.01 A 100 ASP CA C 13 53.56 0.01 A 100 ASP CB C 13 43.45 0.01 A 100 ASP N N 15 114.7 0.1 A 101 GLY H H 1 8.46 0.01 A 101 GLY HAx H 1 3.97 0.01 A 101 GLY HAy H 1 4.18 0.01 A 101 GLY CA C 13 46.09 0.01 A 101 GLY N N 15 111.2 0.1 A 102 SER H H 1 8.32 0.01 A 102 SER HA H 1 5.28 0.01 A 102 SER HBx H 1 3.53 0.01 A 102 SER HBy H 1 3.66 0.01 A 102 SER CA C 13 57.94 0.01 A 102 SER CB C 13 63.82 0.01 A 102 SER N N 15 111.1 0.1 A 103 GLY H H 1 9.13 0.01 A 103 GLY HAx H 1 4.04 0.01 A 103 GLY HAy H 1 4.25 0.01 A 103 GLY CA C 13 45.55 0.01 A 103 GLY N N 15 108.6 0.1 A 104 TYR H H 1 9.46 0.01 A 104 TYR HA H 1 5.61 0.01 A 104 TYR HBx H 1 3.50 0.01 A 104 TYR HBy H 1 3.56 0.01 A 104 TYR HDy H 1 6.54 0.01 A 104 TYR CA C 13 56.30 0.01 A 104 TYR CB C 13 40.07 0.01 A 104 TYR N N 15 116.9 0.1 A 105 PHE H H 1 9.77 0.01 A 105 PHE HA H 1 5.10 0.01 A 105 PHE HBx H 1 3.08 0.01 A 105 PHE HBy H 1 3.53 0.01 A 105 PHE HDx H 1 7.20 0.01 A 105 PHE CA C 13 58.54 0.01 A 105 PHE CB C 13 40.28 0.01 A 105 PHE N N 15 121.0 0.01 A 106 ASP H H 1 9.58 0.01 A 106 ASP HA H 1 4.71 0.01 A 106 ASP HBx H 1 2.67 0.01 A 106 ASP CA C 13 53.08 0.01 A 106 ASP CB C 13 43.94 0.01 A 106 ASP N N 15 120.8 0.1 A 107 VAL H H 1 10.63 0.01 A 107 VAL HA H 1 3.98 0.01 A 107 VAL HB H 1 1.21 0.01 A 107 VAL HGx% H 1 0.60 0.05 A 107 VAL HGy% H 1 0.87 0.01 A 107 VAL CA C 13 59.47 0.01 A 107 VAL CGy C 13 20.89 0.01 A 107 VAL N N 15 113.3 0.1 A 108 ARG H H 1 8.26 0.01 A 108 ARG HA H 1 5.10 0.01 A 108 ARG HBx H 1 1.46 0.01 A 108 ARG HBy H 1 1.48 0.01 A 108 ARG HDx H 1 3.39 0.01 A 108 ARG HGx H 1 1.04 0.01 A 108 ARG HGy H 1 1.70 0.01 A 108 ARG CA C 13 54.03 0.01 A 108 ARG CB C 13 29.36 0.01 A 108 ARG CG C 13 29.59 0.01 A 108 ARG N N 15 123.0 0.1 A 109 ASP H H 1 9.47 0.01 A 109 ASP HA H 1 4.95 0.01 A 109 ASP HBx H 1 3.77 0.01 A 109 ASP CA C 13 51.88 0.01 A 109 ASP CB C 13 41.20 0.01 A 109 ASP N N 15 122.9 0.01 A 110 LYS H H 1 8.33 0.01 A 110 LYS HA H 1 4.01 0.01 A 110 LYS HBx H 1 1.90 0.01 A 110 LYS HGx H 1 2.32 0.01 A 110 LYS CA C 13 60.28 0.01 A 110 LYS CB C 13 29.16 0.01 A 110 LYS CG C 13 33.62 0.01 A 110 LYS N N 15 118.2 0.1 A 111 GLU H H 1 8.02 0.01 A 111 GLU HA H 1 4.51 0.01 A 111 GLU HBx H 1 1.81 0.01 A 111 GLU HGx H 1 2.22 0.01 A 111 GLU HGy H 1 2.45 0.01 A 111 GLU CA C 13 55.25 0.01 A 111 GLU CB C 13 29.20 0.01 A 111 GLU N N 15 118.2 0.1 A 112 ASP H H 1 8.48 0.01 A 112 ASP HA H 1 4.62 0.01 A 112 ASP HBx H 1 3.38 0.01 A 112 ASP CA C 13 55.72 0.01 A 112 ASP CB C 13 41.28 0.01 A 112 ASP N N 15 119.8 0.1 A 113 GLN H H 1 9.23 0.01 A 113 GLN HA H 1 4.86 0.01 A 113 GLN HBx H 1 1.97 0.01 A 113 GLN HGx H 1 2.37 0.01 A 113 GLN CA C 13 54.23 0.01 A 113 GLN CB C 13 30.33 0.01 A 113 GLN N N 15 119.9 0.1 A 114 TRP H H 1 9.12 0.01 A 114 TRP HA H 1 5.51 0.01 A 114 TRP HBx H 1 3.48 0.01 A 114 TRP HD1 H 1 7.62 0.01 A 114 TRP HE1 H 1 10.28 0.01 A 114 TRP HE3 H 1 7.486 0.01 A 114 TRP CA C 13 58.72 0.01 A 114 TRP CB C 13 32.77 0.01 A 114 TRP N N 15 121.4 0.1 A 114 TRP NE1 N 15 129.7 0.1 A 115 ILE H H 1 10.39 0.01 A 115 ILE HA H 1 4.40 0.01 A 115 ILE HB H 1 1.90 0.01 A 115 ILE HD1% H 1 0.66 0.01 A 115 ILE HG1x H 1 -0.08 0.01 A 115 ILE HG1y H 1 1.61 0.01 A 115 ILE HG2% H 1 0.54 0.01 A 115 ILE CA C 13 61.14 0.01 A 115 ILE CB C 13 40.04 0.01 A 115 ILE CD1 C 13 14.61 0.01 A 115 ILE CG1 C 13 27.45 0.01 A 115 ILE CG2 C 13 16.97 0.01 A 115 ILE N N 15 128.2 0.1 A 116 ARG H H 1 9.24 0.01 A 116 ARG HA H 1 5.77 0.01 A 116 ARG HBx H 1 1.93 0.01 A 116 ARG HDx H 1 2.54 0.01 A 116 ARG HDy H 1 2.87 0.01 A 116 ARG HGx H 1 0.90 0.01 A 116 ARG CA C 13 55.15 0.01 A 116 ARG CB C 13 32.97 0.01 A 116 ARG N N 15 129.8 0.1 A 117 ILE H H 1 9.79 0.01 A 117 ILE HA H 1 4.30 0.01 A 117 ILE HB H 1 2.51 0.01 A 117 ILE HD1% H 1 0.58 0.01 A 117 ILE HG1x H 1 2.04 0.01 A 117 ILE HG2% H 1 0.68 0.01 A 117 ILE CA C 13 60.74 0.01 A 117 ILE CB C 13 39.88 0.01 A 117 ILE CD1 C 13 14.45 0.01 A 117 ILE CG2 C 13 17.41 0.01 A 117 ILE N N 15 127.4 0.1 A 118 PHE H H 1 8.96 0.01 A 118 PHE HA H 1 5.58 0.01 A 118 PHE HBx H 1 3.12 0.01 A 118 PHE HBy H 1 3.53 0.01 A 118 PHE HDx H 1 7.39 0.01 A 118 PHE HEx H 1 7.51 0.01 A 118 PHE CA C 13 56.22 0.01 A 118 PHE CB C 13 33.87 0.01 A 118 PHE N N 15 128.3 0.1 A 119 MET H H 1 8.83 0.01 A 119 MET HA H 1 5.11 0.01 A 119 MET HBx H 1 1.95 0.01 A 119 MET HE% H 1 1.54 0.01 A 119 MET HGx H 1 2.66 0.01 A 119 MET CA C 13 52.67 0.01 A 119 MET CB C 13 35.42 0.01 A 119 MET CE C 13 14.28 0.01 A 119 MET N N 15 127.4 0.1 A 120 GLU H H 1 9.57 0.01 A 120 GLU HA H 1 4.72 0.01 A 120 GLU HBx H 1 1.92 0.01 A 120 GLU HGx H 1 3.08 0.01 A 120 GLU CA C 13 53.25 0.01 A 120 GLU CB C 13 33.55 0.01 A 120 GLU N N 15 120.3 0.1 A 121 LYS H H 1 7.47 0.01 A 121 LYS HA H 1 3.51 0.01 A 121 LYS HBx H 1 1.69 0.01 A 121 LYS HBy H 1 1.83 0.01 A 121 LYS HGx H 1 1.23 0.01 A 121 LYS CA C 13 58.66 0.01 A 121 LYS CB C 13 33.52 0.01 A 121 LYS N N 15 118.6 0.1 A 122 GLY H H 1 9.18 0.01 A 122 GLY HAx H 1 3.75 0.01 A 122 GLY HAy H 1 4.77 0.01 A 122 GLY CA C 13 45.87 0.01 A 122 GLY N N 15 117.3 0.01 A 123 ASP H H 1 8.52 0.01 A 123 ASP HA H 1 5.04 0.01 A 123 ASP HBx H 1 2.69 0.01 A 123 ASP HBy H 1 3.08 0.01 A 123 ASP CA C 13 54.94 0.01 A 123 ASP CB C 13 43.09 0.01 A 123 ASP N N 15 122.3 0.1 A 124 MET H H 1 8.75 0.01 A 124 MET HA H 1 5.12 0.01 A 124 MET HBx H 1 1.49 0.01 A 124 MET HBy H 1 1.65 0.01 A 124 MET HE% H 1 0.68 0.01 A 124 MET HGx H 1 2.22 0.01 A 124 MET CA C 13 53.75 0.01 A 124 MET CB C 13 35.33 0.01 A 124 MET CE C 13 17.36 0.01 A 124 MET N N 15 125.2 0.1 A 125 VAL H H 1 8.02 0.01 A 125 VAL HA H 1 4.71 0.01 A 125 VAL HB H 1 0.98 0.01 A 125 VAL HGx% H 1 -0.82 0.01 A 125 VAL HGy% H 1 -0.43 0.01 A 125 VAL CA C 13 56.90 0.01 A 125 VAL CB C 13 35.47 0.01 A 125 VAL CGx C 13 17.97 0.01 A 125 VAL CGy C 13 20.48 0.01 A 125 VAL N N 15 123.4 0.1 A 126 THR H H 1 6.95 0.01 A 126 THR HA H 1 2.18 0.01 A 126 THR HB H 1 2.40 0.01 A 126 THR HG2% H 1 -0.78 0.01 A 126 THR CA C 13 58.87 0.01 A 126 THR CB C 13 68.84 0.01 A 126 THR CG2 C 13 20.62 0.01 A 126 THR N N 15 118.7 0.1 A 127 LEU H H 1 7.56 0.01 A 127 LEU HA H 1 3.91 0.01 A 127 LEU HBx H 1 0.92 0.01 A 127 LEU HBy H 1 0.92 0.01 A 127 LEU HDx% H 1 -0.37 0.01 A 127 LEU HDy% H 1 -0.03 0.01 A 127 LEU HG H 1 1.20 0.01 A 127 LEU CA C 13 54.21 0.01 A 127 LEU CB C 13 42.99 0.01 A 127 LEU CDy C 13 26.98 0.01 A 127 LEU CDx C 13 26.65 0.01 A 127 LEU N N 15 121.0 0.1 A 129 ALA H H 1 8.19 0.01 A 129 ALA HA H 1 4.75 0.01 A 129 ALA HB% H 1 1.91 0.01 A 129 ALA CB C 13 16.81 0.01 A 130 GLY H H 1 7.30 0.01 A 130 GLY HAx H 1 3.35 0.01 A 130 GLY HAy H 1 3.51 0.01 A 130 GLY CA C 13 46.01 0.01 A 130 GLY N N 15 118.0 0.1 A 131 ILE H H 1 6.81 0.01 A 131 ILE HA H 1 5.14 0.01 A 131 ILE HB H 1 0.47 0.01 A 131 ILE HD1% H 1 -0.18 0.01 A 131 ILE HG1x H 1 1.23 0.01 A 131 ILE HG2% H 1 -0.14 0.01 A 131 ILE CD1 C 13 14.47 0.01 A 131 ILE CG2 C 13 16.84 0.01 A 131 ILE N N 15 120.7 0.1 A 132 TYR H H 1 9.04 0.01 A 132 TYR HA H 1 6.54 0.01 A 132 TYR HBx H 1 3.25 0.01 A 132 TYR HBy H 1 3.48 0.01 A 132 TYR HDx H 1 5.90 0.01 A 132 TYR CA C 13 56.36 0.01 A 132 TYR CB C 13 42.46 0.01 A 132 TYR N N 15 125.6 0.1 A 135 PHE H H 1 6.50 0.01 A 135 PHE HA H 1 4.37 0.01 A 135 PHE HBx H 1 2.55 0.01 A 135 PHE HBy H 1 3.24 0.01 A 135 PHE HDx H 1 7.23 0.01 A 135 PHE CA C 13 58.99 0.01 A 135 PHE CB C 13 39.65 0.01 A 135 PHE N N 15 119.9 0.1 A 136 THR H H 1 9.00 0.01 A 136 THR HA H 1 4.06 0.01 A 136 THR HB H 1 3.91 0.01 A 136 THR HG2% H 1 0.82 0.01 A 136 THR CA C 13 60.41 0.01 A 136 THR CB C 13 73.13 0.01 A 136 THR CG2 C 13 18.74 0.01 A 136 THR N N 15 128.1 0.1 A 137 VAL H H 1 6.01 0.01 A 137 VAL HA H 1 4.32 0.01 A 137 VAL HB H 1 2.92 0.01 A 137 VAL HGx% H 1 0.88 0.01 A 137 VAL HGy% H 1 1.25 0.01 A 137 VAL CA C 13 62.27 0.01 A 137 VAL CB C 13 31.40 0.01 A 137 VAL CGx C 13 17.60 0.01 A 137 VAL CGy C 13 21.72 0.01 A 137 VAL N N 15 115.8 0.1 A 138 ASP H H 1 8.02 0.01 A 138 ASP HA H 1 4.30 0.01 A 138 ASP HBx H 1 2.91 0.01 A 138 ASP CA C 13 52.70 0.01 A 138 ASP N N 15 119.1 0.1 A 139 GLU H H 1 7.87 0.01 A 139 GLU HA H 1 5.35 0.01 A 139 GLU HBx H 1 2.06 0.01 A 139 GLU CA C 13 58.86 0.01 A 139 GLU CB C 13 29.23 0.01 A 139 GLU N N 15 114.7 0.1 A 140 LYS H H 1 8.79 0.01 A 140 LYS HA H 1 4.21 0.01 A 140 LYS HBx H 1 1.44 0.01 A 140 LYS HBy H 1 1.97 0.01 A 140 LYS HEx H 1 3.48 0.01 A 140 LYS HGx H 1 1.72 0.01 A 140 LYS HGy H 1 2.17 0.01 A 140 LYS CA C 13 57.32 0.01 A 140 LYS CB C 13 31.54 0.01 A 140 LYS N N 15 120.0 0.1 A 141 ASN H H 1 8.35 0.01 A 141 ASN HA H 1 4.07 0.01 A 141 ASN HBx H 1 2.89 0.01 A 141 ASN HBy H 1 3.18 0.01 A 141 ASN CA C 13 54.86 0.01 A 141 ASN CB C 13 37.83 0.01 A 141 ASN N N 15 114.9 0.1 A 142 TYR H H 1 9.77 0.01 A 142 TYR HA H 1 5.45 0.01 A 142 TYR HBx H 1 2.42 0.01 A 142 TYR HBy H 1 3.33 0.01 A 142 TYR HDx H 1 7.01 0.01 A 142 TYR HEx H 1 6.49 0.01 A 142 TYR CA C 13 58.89 0.01 A 142 TYR CB C 13 39.85 0.01 A 142 TYR N N 15 118.0 0.1 A 143 THR H H 1 8.51 0.01 A 143 THR HA H 1 4.14 0.01 A 143 THR HB H 1 3.75 0.01 A 143 THR HG2% H 1 1.23 0.01 A 143 THR CA C 13 63.53 0.01 A 143 THR CB C 13 72.53 0.01 A 143 THR CG2 C 13 17.00 0.01 A 143 THR N N 15 126.4 0.1 A 144 LYS H H 1 8.47 0.01 A 144 LYS HA H 1 5.10 0.01 A 144 LYS HBx H 1 2.04 0.01 A 144 LYS HEx H 1 2.51 0.01 A 144 LYS HEy H 1 2.57 0.01 A 144 LYS HGx H 1 1.33 0.01 A 144 LYS CA C 13 55.24 0.01 A 144 LYS CB C 13 32.89 0.01 A 144 LYS N N 15 129.8 0.1 A 145 ALA H H 1 9.29 0.01 A 145 ALA HA H 1 5.27 0.01 A 145 ALA HB% H 1 1.27 0.01 A 145 ALA CA C 13 50.15 0.01 A 145 ALA CB C 13 21.95 0.01 A 145 ALA N N 15 129.3 0.1 A 146 MET H H 1 9.77 0.01 A 146 MET HA H 1 5.32 0.01 A 146 MET HBx H 1 2.15 0.01 A 146 MET HBy H 1 2.23 0.01 A 146 MET HE% H 1 1.98 0.01 A 146 MET HGx H 1 2.24 0.01 A 146 MET CA C 13 54.70 0.01 A 146 MET CB C 13 35.88 0.01 A 146 MET CE C 13 16.92 0.01 A 146 MET CG C 13 32.91 0.01 A 146 MET N N 15 124.1 0.1 A 147 ARG H H 1 9.82 0.01 A 147 ARG HA H 1 5.36 0.01 A 147 ARG HBx H 1 1.62 0.01 A 147 ARG HBy H 1 1.87 0.01 A 147 ARG HDx H 1 3.83 0.01 A 147 ARG HDy H 1 4.34 0.01 A 147 ARG CA C 13 56.17 0.01 A 147 ARG CB C 13 33.36 0.01 A 147 ARG N N 15 128.7 0.1 A 148 LEU H H 1 7.27 0.01 A 148 LEU HA H 1 6.03 0.01 A 148 LEU HBx H 1 0.64 0.01 A 148 LEU HBy H 1 0.98 0.01 A 148 LEU HDx% H 1 0.47 0.01 A 148 LEU HDy% H 1 0.80 0.01 A 148 LEU HG H 1 1.39 0.01 A 148 LEU CA C 13 53.65 0.01 A 148 LEU CB C 13 44.49 0.01 A 148 LEU CDx C 13 25.73 0.01 A 148 LEU CDy C 13 25.81 0.01 A 148 LEU CG C 13 28.71 0.01 A 148 LEU N N 15 120.4 0.1 A 149 PHE H H 1 8.92 0.01 A 149 PHE HA H 1 4.18 0.01 A 149 PHE HBx H 1 2.94 0.01 A 149 PHE HDx H 1 7.61 0.01 A 149 PHE HEx H 1 7.37 0.01 A 149 PHE CA C 13 57.77 0.01 A 149 PHE N N 15 122.4 0.1 A 150 VAL H H 1 7.39 0.01 A 150 VAL HA H 1 4.85 0.01 A 150 VAL HB H 1 1.82 0.01 A 150 VAL HGx% H 1 0.69 0.01 A 150 VAL HGy% H 1 0.91 0.01 A 150 VAL CA C 13 60.94 0.01 A 150 VAL CB C 13 29.72 0.01 A 150 VAL CGy C 13 20.72 0.01 A 150 VAL N N 15 125.5 0.1 A 151 GLY H H 1 7.51 0.01 A 151 GLY HAx H 1 3.68 0.01 A 151 GLY HAy H 1 4.39 0.01 A 151 GLY CA C 13 44.06 0.01 A 151 GLY N N 15 117.0 0.1 A 152 GLU H H 1 7.87 0.01 A 152 GLU HA H 1 3.96 0.01 A 152 GLU HBx H 1 1.90 0.01 A 152 GLU HGx H 1 2.33 0.01 A 152 GLU CA C 13 54.09 0.01 A 152 GLU CB C 13 29.15 0.01 A 152 GLU N N 15 118.4 0.1 A 153 PRO HA H 1 1.74 0.01 A 153 PRO HBx H 1 0.15 0.01 A 153 PRO HBy H 1 0.19 0.01 A 153 PRO HDx H 1 1.95 0.01 A 153 PRO HDy H 1 2.75 0.01 A 153 PRO HGx H 1 0.97 0.01 A 153 PRO CA C 13 62.71 0.01 A 153 PRO CB C 13 33.19 0.01 A 153 PRO CD C 13 49.45 0.01 A 154 VAL H H 1 6.04 0.01 A 154 VAL HA H 1 3.52 0.01 A 154 VAL HB H 1 2.18 0.01 A 154 VAL HGx% H 1 0.90 0.01 A 154 VAL HGy% H 1 0.95 0.01 A 154 VAL CA C 13 63.28 0.01 A 154 VAL CB C 13 31.76 0.01 A 154 VAL CGx C 13 19.21 0.01 A 154 VAL CGy C 13 20.50 0.01 A 154 VAL N N 15 120.8 0.1 A 156 THR HG21 H 1 1.23 0.01 A 156 THR HG22 H 1 1.23 0.01 A 156 THR HG23 H 1 1.23 0.01 A 156 THR CA C 13 63.59 0.01 A 156 THR CG2 C 13 22.95 0.01 A 157 ALA H H 1 8.62 0.01 A 157 ALA HA H 1 5.04 0.01 A 157 ALA HB% H 1 1.87 0.01 A 157 ALA CA C 13 51.34 0.01 A 157 ALA CB C 13 19.86 0.01 A 157 ALA N N 15 132.3 0.1 A 158 TYR H H 1 7.73 0.01 A 158 TYR HA H 1 4.61 0.01 A 158 TYR HBx H 1 2.57 0.01 A 158 TYR HBy H 1 2.98 0.01 A 158 TYR CA C 13 56.78 0.01 A 158 TYR CB C 13 41.61 0.01 A 158 TYR N N 15 115.3 0.01 A 159 ASN H H 1 8.37 0.01 A 161 PRO CA C 13 66.68 0.01 A 162 ALA H H 1 8.67 0.01 A 162 ALA HA H 1 5.31 0.01 A 162 ALA HB% H 1 1.07 0.01 A 162 ALA CA C 13 50.61 0.01 A 162 ALA CB C 13 17.73 0.01 A 162 ALA N N 15 122.2 0.1 A 163 ASP H H 1 8.92 0.01 A 163 ASP HA H 1 4.06 0.01 A 163 ASP HBx H 1 2.79 0.01 A 163 ASP CA C 13 56.38 0.01 A 163 ASP CB C 13 38.88 0.01 A 163 ASP N N 15 120.3 0.1 A 164 HIS H H 1 8.11 0.01 A 164 HIS HA H 1 4.10 0.01 A 164 HIS CA C 13 52.34 0.01 A 164 HIS N N 15 121.8 0.1 A 165 PHE H H 1 8.51 0.01 A 165 PHE HA H 1 5.33 0.01 A 165 PHE HBx H 1 3.39 0.01 A 165 PHE HDx H 1 6.84 0.01 A 165 PHE CA C 13 52.67 0.01 A 165 PHE CB C 13 42.09 0.01 A 166 GLU H H 1 9.53 0.01 A 166 GLU HA H 1 3.94 0.01 A 166 GLU HBx H 1 2.13 0.01 A 166 GLU HGx H 1 2.45 0.01 A 166 GLU CA C 13 59.86 0.01 A 166 GLU CB C 13 29.39 0.01 A 166 GLU N N 15 129.1 0.1 A 167 ALA H H 1 9.13 0.01 A 167 ALA HA H 1 4.70 0.01 A 167 ALA HB% H 1 1.13 0.01 A 167 ALA CA C 13 54.83 0.01 A 167 ALA CB C 13 19.03 0.01 A 167 ALA N N 15 119.1 0.1 A 168 ARG H H 1 7.14 0.01 A 168 ARG HA H 1 4.19 0.01 A 168 ARG HBx H 1 1.88 0.01 A 168 ARG HDx H 1 2.95 0.01 A 168 ARG HDy H 1 3.31 0.01 A 168 ARG HGx H 1 1.68 0.01 A 168 ARG CA C 13 57.48 0.01 A 168 ARG CB C 13 28.93 0.01 A 168 ARG CD C 13 45.60 0.01 A 168 ARG N N 15 115.1 0.01 A 169 GLY H H 1 7.88 0.01 A 169 GLY HAx H 1 3.82 0.01 A 169 GLY HAy H 1 4.02 0.01 A 169 GLY CA C 13 47.37 0.01 A 169 GLY N N 15 107.9 0.1 A 170 GLN H H 1 8.66 0.01 A 170 GLN HA H 1 3.95 0.01 A 170 GLN HBx H 1 2.08 0.01 A 170 GLN HGx H 1 2.28 0.01 A 170 GLN CA C 13 58.33 0.01 A 170 GLN CB C 13 31.89 0.01 A 171 TYR H H 1 7.55 0.01 A 171 TYR HA H 1 4.11 0.01 A 171 TYR HBx H 1 2.82 0.01 A 171 TYR HBy H 1 3.31 0.01 A 171 TYR HDx H 1 6.55 0.01 A 171 TYR HEx H 1 6.31 0.01 A 171 TYR CA C 13 61.72 0.01 A 171 TYR CB C 13 38.35 0.01 A 171 TYR N N 15 124.1 0.1 A 172 VAL H H 1 8.43 0.01 A 172 VAL HA H 1 3.32 0.01 A 172 VAL HB H 1 2.13 0.01 A 172 VAL HGx% H 1 0.98 0.01 A 172 VAL HGy% H 1 1.10 0.01 A 172 VAL CA C 13 66.81 0.01 A 172 VAL CB C 13 31.80 0.01 A 172 VAL CGx C 13 21.23 0.01 A 172 VAL CGy C 13 22.04 0.01 A 172 VAL N N 15 118.6 0.1 A 173 LYS H H 1 7.56 0.01 A 173 LYS HA H 1 3.92 0.01 A 173 LYS HBx H 1 1.72 0.01 A 173 LYS HBy H 1 1.75 0.01 A 173 LYS HEx H 1 2.83 0.01 A 173 LYS HGx H 1 1.25 0.01 A 173 LYS HGy H 1 1.46 0.01 A 173 LYS CA C 13 59.59 0.01 A 173 LYS CB C 13 32.60 0.01 A 173 LYS N N 15 121.2 0.1 A 174 PHE H H 1 7.66 0.01 A 174 PHE HA H 1 4.04 0.01 A 174 PHE HBx H 1 2.92 0.01 A 174 PHE HBy H 1 3.15 0.01 A 174 PHE HDx H 1 6.72 0.01 A 174 PHE HEx H 1 7.00 0.01 A 174 PHE CA C 13 60.33 0.01 A 174 PHE CB C 13 37.37 0.01 A 174 PHE N N 15 123.0 0.1 A 175 LEU H H 1 7.81 0.01 A 175 LEU HA H 1 3.36 0.01 A 175 LEU HBx H 1 1.07 0.01 A 175 LEU HBy H 1 1.69 0.01 A 175 LEU HDx% H 1 0.68 0.01 A 175 LEU HDy% H 1 0.73 0.01 A 175 LEU HG H 1 1.00 0.01 A 175 LEU CA C 13 56.59 0.01 A 175 LEU CB C 13 42.20 0.01 A 175 LEU CDx C 13 26.15 0.01 A 175 LEU N N 15 120.8 0.1 A 176 ALA H H 1 7.33 0.01 A 176 ALA HA H 1 4.02 0.01 A 176 ALA HB% H 1 1.35 0.01 A 176 ALA CA C 13 53.23 0.01 A 176 ALA CB C 13 18.34 0.01 A 176 ALA N N 15 119.2 0.1 A 177 GLN H H 1 7.40 0.01 A 177 GLN HA H 1 4.06 0.01 A 177 GLN HBx H 1 1.89 0.01 A 177 GLN HGx H 1 2.25 0.01 A 177 GLN CA C 13 56.11 0.01 A 177 GLN CB C 13 28.91 0.01 A 177 GLN N N 15 116.0 0.1 A 178 THR H H 1 7.36 0.01 A 178 THR HA H 1 4.09 0.01 A 178 THR HB H 1 3.90 0.01 A 178 THR HG2% H 1 0.82 0.01 A 178 THR CA C 13 61.35 0.01 A 178 THR CB C 13 70.16 0.01 A 178 THR CG2 C 13 21.27 0.01 A 178 THR N N 15 113.1 0.1 A 179 ALA H H 1 7.66 0.01 A 179 ALA HA H 1 3.87 0.01 A 179 ALA HB% H 1 1.16 0.01 A 179 ALA CA C 13 52.77 0.01 A 179 ALA CB C 13 19.60 0.01 A 179 ALA N N 15 131.3 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 2 VAL HA A 3 GLN H 1.0 0.8 3.3 2 2 A 3 GLN H A 2 VAL HGx% 1.0 2.8 5.3 3 3 A 2 VAL HGx% A 4 ALA H 1.0 2.8 5.3 4 4 A 2 VAL HGx% A 27 GLY HAy 1.0 1.8 4.3 5 4 A 2 VAL HGx% A 27 GLY HAx 1.0 1.8 4.3 6 5 A 2 VAL HB A 28 LEU HD2% 1.0 2.8 5.3 7 6 A 2 VAL HGx% A 28 LEU H 1.0 1.8 4.3 8 7 A 2 VAL HGx% A 28 LEU HD1% 1.0 1.8 4.3 9 8 A 28 LEU HD1% A 2 VAL HGy% 1.0 1.8 4.3 10 9 A 2 VAL HGx% A 31 LEU HD1% 1.0 1.8 4.3 11 10 A 2 VAL HGy% A 31 LEU HD1% 1.0 1.8 4.3 12 11 A 2 VAL HA A 38 TYR HE% 1.0 2.8 5.3 13 12 A 2 VAL HB A 38 TYR HD% 1.0 2.8 5.3 14 13 A 2 VAL HGx% A 38 TYR HD% 1.0 2.8 5.3 15 14 A 2 VAL HGx% A 38 TYR HE% 1.0 2.8 5.3 16 15 A 2 VAL HGy% A 38 TYR HBx 1.0 2.8 5.3 17 15 A 2 VAL HGy% A 38 TYR HBy 1.0 2.8 5.3 18 16 A 2 VAL HGy% A 38 TYR HD% 1.0 2.8 5.3 19 17 A 2 VAL HGy% A 38 TYR HE% 1.0 1.8 4.3 20 18 A 2 VAL HGx% A 117 ILE HG2% 1.0 2.8 5.3 21 19 A 4 ALA H A 3 GLN HA 1.0 1.8 4.3 22 20 A 4 ALA H A 5 TRP HE3 1.0 1.8 4.3 23 21 A 4 ALA HA A 5 TRP H 1.0 1.8 4.3 24 22 A 5 TRP H A 4 ALA HB% 1.0 0.8 3.3 25 23 A 4 ALA H A 5 TRP HZ3 1.0 2.8 5.3 26 24 A 4 ALA H A 5 TRP HE3 1.0 0.8 3.3 27 25 A 4 ALA H A 26 VAL H 1.0 2.8 5.3 28 26 A 4 ALA H A 26 VAL HG1% 1.0 2.8 5.3 29 27 A 4 ALA HB% A 26 VAL HG1% 1.0 0.8 3.3 30 28 A 31 LEU HD1% A 4 ALA HB% 1.0 0.8 3.3 31 29 A 4 ALA HB% A 115 ILE HG2% 1.0 1.8 4.3 32 30 A 4 ALA HB% A 115 ILE HD1% 1.0 2.8 5.3 33 31 A 4 ALA HA A 117 ILE HA 1.0 1.8 4.3 34 32 A 117 ILE HG2% A 4 ALA HA 1.0 2.8 5.3 35 33 A 4 ALA HA A 118 PHE H 1.0 1.8 4.3 36 34 A 5 TRP HA A 6 TYR H 1.0 1.8 4.3 37 35 A 5 TRP HE1 A 7 MET HA 1.0 2.8 5.3 38 36 A 5 TRP HE1 A 17 PRO HA 1.0 2.8 5.3 39 37 A 5 TRP HZ2 A 17 PRO HBx 1.0 1.8 4.3 40 37 A 5 TRP HZ2 A 17 PRO HBy 1.0 1.8 4.3 41 38 A 5 TRP HE1 A 19 ARG HA 1.0 1.8 4.3 42 39 A 5 TRP HE1 A 19 ARG HBx 1.0 2.8 5.3 43 39 A 5 TRP HE1 A 19 ARG HBy 1.0 2.8 5.3 44 40 A 5 TRP HE1 A 19 ARG HGy 1.0 2.8 5.3 45 40 A 5 TRP HE1 A 19 ARG HGx 1.0 2.8 5.3 46 41 A 5 TRP HA A 25 PRO HA 1.0 0.8 3.3 47 42 A 5 TRP HA A 25 PRO HBx 1.0 2.8 5.3 48 42 A 5 TRP HA A 25 PRO HBy 1.0 2.8 5.3 49 43 A 26 VAL H A 5 TRP HA 1.0 0.8 3.3 50 44 A 5 TRP HA A 26 VAL HG2% 1.0 2.8 5.3 51 45 A 5 TRP H A 115 ILE HG2% 1.0 0.8 3.3 52 46 A 5 TRP NE1 A 19 ARG CB 1.0 1.8 4.3 53 47 A 19 ARG CB A 5 TRP CZ2 1.0 1.8 4.3 54 48 A 5 TRP CH2 A 19 ARG CD 1.0 2.8 5.3 55 49 A 19 ARG CD A 5 TRP CE3 1.0 2.8 5.3 56 50 A 5 TRP HA A 25 PRO HA 1.0 1.8 4.3 57 51 A 5 TRP HA A 25 PRO HBx 1.0 2.8 5.3 58 51 A 5 TRP HA A 25 PRO HBy 1.0 2.8 5.3 59 52 A 25 PRO HA A 5 TRP HBx 1.0 2.8 5.3 60 52 A 25 PRO HA A 5 TRP HBy 1.0 2.8 5.3 61 53 A 26 VAL H A 5 TRP HA 1.0 1.8 4.3 62 54 A 26 VAL H A 5 TRP HBx 1.0 2.8 5.3 63 54 A 26 VAL H A 5 TRP HBy 1.0 2.8 5.3 64 55 A 5 TRP HA A 26 VAL HG2% 1.0 1.8 4.3 65 56 A 115 ILE HG2% A 5 TRP HA 1.0 2.8 5.3 66 57 A 6 TYR HA A 7 MET H 1.0 0.8 3.3 67 58 A 6 TYR H A 24 ARG HE 1.0 1.8 4.3 68 59 A 6 TYR H A 24 ARG H 1.0 2.8 5.3 69 60 A 24 ARG H A 6 TYR HBx 1.0 2.8 5.3 70 60 A 24 ARG H A 6 TYR HBy 1.0 2.8 5.3 71 61 A 6 TYR HBx A 24 ARG HBx 1.0 1.8 4.3 72 61 A 6 TYR HBy A 24 ARG HBx 1.0 1.8 4.3 73 61 A 24 ARG HBy A 6 TYR HBx 1.0 1.8 4.3 74 61 A 6 TYR HBy A 24 ARG HBy 1.0 1.8 4.3 75 62 A 6 TYR H A 25 PRO HA 1.0 2.8 5.3 76 63 A 26 VAL HG2% A 6 TYR HD% 1.0 1.8 4.3 77 64 A 26 VAL HG2% A 6 TYR HE% 1.0 2.8 5.3 78 65 A 6 TYR HD% A 31 LEU HD2% 1.0 2.8 5.3 79 66 A 6 TYR HE% A 31 LEU HD2% 1.0 2.8 5.3 80 67 A 6 TYR HA A 115 ILE HA 1.0 0.8 3.3 81 68 A 6 TYR HE% A 115 ILE HG1x 1.0 1.8 4.3 82 69 A 6 TYR HA A 116 ARG H 1.0 1.8 4.3 83 70 A 7 MET HA A 8 ASP H 1.0 0.8 3.3 84 71 A 7 MET HE% A 10 ALA HB% 1.0 2.8 5.3 85 72 A 7 MET HA A 18 HIS HBx 1.0 2.8 5.3 86 72 A 7 MET HA A 18 HIS HBy 1.0 2.8 5.3 87 73 A 7 MET HBy A 18 HIS HBx 1.0 1.8 4.3 88 73 A 18 HIS HBy A 7 MET HBx 1.0 1.8 4.3 89 73 A 18 HIS HBy A 7 MET HBy 1.0 1.8 4.3 90 73 A 7 MET HBx A 18 HIS HBx 1.0 1.8 4.3 91 74 A 7 MET HE% A 18 HIS HBx 1.0 1.8 4.3 92 74 A 7 MET HE% A 18 HIS HBy 1.0 1.8 4.3 93 75 A 8 ASP HA A 9 ASP H 1.0 0.8 3.3 94 76 A 9 ASP H A 10 ALA H 1.0 0.8 3.3 95 77 A 10 ALA H A 9 ASP HA 1.0 1.8 4.3 96 78 A 10 ALA HA A 11 PRO HDx 1.0 0.8 3.3 97 78 A 10 ALA HA A 11 PRO HDy 1.0 0.8 3.3 98 79 A 10 ALA HB% A 11 PRO HDx 1.0 1.8 4.3 99 79 A 10 ALA HB% A 11 PRO HDy 1.0 1.8 4.3 100 80 A 10 ALA HB% A 12 GLY H 1.0 2.8 5.3 101 81 A 10 ALA HB% A 18 HIS HD1 1.0 2.8 5.3 102 82 A 10 ALA HB% A 18 HIS HE1 1.0 2.8 5.3 103 83 A 12 GLY H A 11 PRO HA 1.0 0.8 3.3 104 84 A 12 GLY H A 11 PRO HBy 1.0 2.8 5.3 105 85 A 12 GLY H A 11 PRO HBx 1.0 2.8 5.3 106 86 A 13 ASP H A 12 GLY HAx 1.0 1.8 4.3 107 86 A 12 GLY HAy A 13 ASP H 1.0 1.8 4.3 108 87 A 18 HIS HE1 A 12 GLY HAx 1.0 2.8 5.3 109 87 A 18 HIS HE1 A 12 GLY HAy 1.0 2.8 5.3 110 88 A 18 HIS HE2 A 12 GLY HAx 1.0 2.8 5.3 111 88 A 12 GLY HAy A 18 HIS HE2 1.0 2.8 5.3 112 89 A 14 PRO HA A 15 ARG H 1.0 2.8 5.3 113 90 A 15 ARG H A 14 PRO HDx 1.0 1.8 4.3 114 90 A 15 ARG H A 14 PRO HDy 1.0 1.8 4.3 115 91 A 15 ARG H A 16 GLN H 1.0 0.8 3.3 116 92 A 17 PRO HA A 18 HIS H 1.0 2.8 5.3 117 93 A 17 PRO HA A 19 ARG H 1.0 2.8 5.3 118 94 A 19 ARG HE A 17 PRO HBx 1.0 0.8 3.3 119 94 A 17 PRO HBy A 19 ARG HE 1.0 0.8 3.3 120 95 A 19 ARG H A 17 PRO HDx 1.0 0.8 3.3 121 95 A 19 ARG H A 17 PRO HDy 1.0 0.8 3.3 122 96 A 18 HIS H A 19 ARG H 1.0 0.8 3.3 123 97 A 19 ARG H A 18 HIS HA 1.0 1.8 4.3 124 98 A 19 ARG H A 20 PRO HDx 1.0 2.8 5.3 125 98 A 19 ARG H A 20 PRO HDy 1.0 2.8 5.3 126 99 A 21 ASP H A 20 PRO HBx 1.0 1.8 4.3 127 99 A 20 PRO HBy A 21 ASP H 1.0 1.8 4.3 128 100 A 21 ASP H A 20 PRO HDx 1.0 2.8 5.3 129 100 A 20 PRO HDy A 21 ASP H 1.0 2.8 5.3 130 101 A 20 PRO HDx A 23 GLY HAx 1.0 1.8 4.3 131 101 A 23 GLY HAy A 20 PRO HDx 1.0 1.8 4.3 132 101 A 20 PRO HDy A 23 GLY HAy 1.0 1.8 4.3 133 101 A 20 PRO HDy A 23 GLY HAx 1.0 1.8 4.3 134 102 A 21 ASP HA A 22 PRO HA 1.0 0.8 3.3 135 103 A 21 ASP HA A 23 GLY H 1.0 1.8 4.3 136 104 A 22 PRO HA A 23 GLY H 1.0 0.8 3.3 137 105 A 24 ARG H A 23 GLY H 1.0 2.8 5.3 138 106 A 24 ARG H A 23 GLY HAx 1.0 0.8 3.3 139 106 A 24 ARG H A 23 GLY HAy 1.0 0.8 3.3 140 107 A 24 ARG HA A 25 PRO HDx 1.0 0.8 3.3 141 107 A 24 ARG HA A 25 PRO HDy 1.0 0.8 3.3 142 108 A 26 VAL H A 25 PRO HA 1.0 0.8 3.3 143 109 A 25 PRO HA A 26 VAL HB 1.0 1.8 4.3 144 110 A 26 VAL HG1% A 25 PRO HA 1.0 1.8 4.3 145 111 A 26 VAL HG1% A 26 VAL HA 1.0 1.8 4.3 146 112 A 26 VAL HG2% A 26 VAL HA 1.0 0.8 3.3 147 113 A 26 VAL HA A 27 GLY H 1.0 0.8 3.3 148 114 A 26 VAL HB A 27 GLY H 1.0 1.8 4.3 149 115 A 26 VAL HG1% A 27 GLY H 1.0 0.8 3.3 150 116 A 28 LEU H A 26 VAL HG2% 1.0 1.8 4.3 151 117 A 26 VAL HG1% A 30 GLN H 1.0 2.8 5.3 152 118 A 26 VAL HG2% A 31 LEU H 1.0 1.8 4.3 153 119 A 31 LEU HD1% A 26 VAL HG1% 1.0 0.8 3.3 154 120 A 28 LEU H A 27 GLY HAy 1.0 0.8 3.3 155 121 A 27 GLY HAx A 28 LEU H 1.0 0.8 3.3 156 122 A 30 GLN H A 27 GLY HAy 1.0 2.8 5.3 157 122 A 27 GLY HAx A 30 GLN H 1.0 2.8 5.3 158 123 A 31 LEU HD1% A 27 GLY H 1.0 2.8 5.3 159 124 A 31 LEU HD2% A 27 GLY H 1.0 2.8 5.3 160 125 A 28 LEU H A 29 GLU H 1.0 2.8 5.3 161 126 A 28 LEU HD2% A 29 GLU H 1.0 2.8 5.3 162 127 A 31 LEU H A 28 LEU HBx 1.0 2.8 5.3 163 127 A 31 LEU H A 28 LEU HBy 1.0 2.8 5.3 164 128 A 31 LEU H A 28 LEU HA 1.0 2.8 5.3 165 129 A 28 LEU HD1% A 38 TYR HD% 1.0 1.8 4.3 166 130 A 28 LEU HD2% A 38 TYR HD% 1.0 1.8 4.3 167 131 A 30 GLN H A 29 GLU H 1.0 0.8 3.3 168 132 A 30 GLN H A 29 GLU HA 1.0 1.8 4.3 169 133 A 29 GLU HA A 32 ARG H 1.0 1.8 4.3 170 134 A 30 GLN H A 31 LEU H 1.0 0.8 3.3 171 135 A 31 LEU H A 30 GLN HA 1.0 1.8 4.3 172 136 A 30 GLN HA A 33 ARG H 1.0 1.8 4.3 173 137 A 31 LEU H A 32 ARG H 1.0 0.8 3.3 174 138 A 32 ARG H A 31 LEU HA 1.0 1.8 4.3 175 139 A 31 LEU HA A 32 ARG HBx 1.0 2.8 5.3 176 139 A 31 LEU HA A 32 ARG HBy 1.0 2.8 5.3 177 140 A 33 ARG H A 31 LEU HA 1.0 2.8 5.3 178 141 A 31 LEU HA A 34 LEU H 1.0 2.8 5.3 179 142 A 31 LEU HD1% A 34 LEU HDy% 1.0 0.8 3.3 180 143 A 31 LEU HA A 36 VAL HGy% 1.0 2.8 5.3 181 144 A 36 VAL HGy% A 31 LEU HBx 1.0 2.8 5.3 182 144 A 36 VAL HGy% A 31 LEU HBy 1.0 2.8 5.3 183 145 A 31 LEU HD1% A 36 VAL HB 1.0 1.8 4.3 184 146 A 31 LEU HD2% A 36 VAL HB 1.0 1.8 4.3 185 147 A 31 LEU HD1% A 36 VAL HGx% 1.0 1.8 4.3 186 148 A 31 LEU HD2% A 36 VAL HGy% 1.0 1.8 4.3 187 149 A 115 ILE HD1% A 31 LEU HD2% 1.0 0.8 3.3 188 150 A 31 LEU HD2% A 117 ILE HD1% 1.0 2.8 5.3 189 151 A 32 ARG H A 33 ARG H 1.0 0.8 3.3 190 152 A 33 ARG H A 32 ARG HA 1.0 1.8 4.3 191 153 A 32 ARG H A 34 LEU H 1.0 2.8 5.3 192 154 A 32 ARG HA A 35 GLY H 1.0 1.8 4.3 193 155 A 32 ARG HDy A 37 LEU HDy% 1.0 0.8 3.3 194 156 A 33 ARG H A 34 LEU H 1.0 0.8 3.3 195 157 A 33 ARG H A 35 GLY H 1.0 2.8 5.3 196 158 A 33 ARG HA A 36 VAL H 1.0 2.8 5.3 197 159 A 34 LEU HDy% A 34 LEU HA 1.0 1.8 4.3 198 160 A 34 LEU H A 35 GLY H 1.0 0.8 3.3 199 161 A 35 GLY H A 34 LEU HA 1.0 2.8 5.3 200 162 A 35 GLY H A 34 LEU HBx 1.0 1.8 4.3 201 162 A 35 GLY H A 34 LEU HBy 1.0 1.8 4.3 202 163 A 34 LEU HDx% A 109 ASP HA 1.0 1.8 4.3 203 164 A 34 LEU HDy% A 109 ASP HA 1.0 1.8 4.3 204 165 A 35 GLY H A 36 VAL H 1.0 0.8 3.3 205 166 A 36 VAL H A 35 GLY HAx 1.0 1.8 4.3 206 166 A 36 VAL H A 35 GLY HAy 1.0 1.8 4.3 207 167 A 36 VAL HA A 37 LEU H 1.0 0.8 4.3 208 168 A 36 VAL HGx% A 125 VAL HGy% 1.0 0.8 3.3 209 169 A 36 VAL HGy% A 125 VAL HGy% 1.0 0.8 3.3 210 170 A 36 VAL HA A 126 THR HB 1.0 0.8 4.3 211 171 A 37 LEU HDy% A 37 LEU H 1.0 2.8 5.3 212 172 A 37 LEU HA A 38 TYR H 1.0 0.8 3.3 213 173 A 38 TYR H A 37 LEU HG 1.0 2.8 5.3 214 174 A 37 LEU HDy% A 38 TYR H 1.0 1.8 4.3 215 175 A 39 TRP CZ2 A 37 LEU HBx 1.0 1.8 4.3 216 175 A 37 LEU HBy A 39 TRP CZ2 1.0 1.8 4.3 217 176 A 39 TRP CZ3 A 37 LEU HBx 1.0 1.8 4.3 218 176 A 37 LEU HBy A 39 TRP CZ3 1.0 1.8 4.3 219 177 A 37 LEU HDx% A 39 TRP HH2 1.0 1.8 4.3 220 178 A 37 LEU HDx% A 39 TRP HZ2 1.0 1.8 4.3 221 179 A 39 TRP CZ3 A 37 LEU HBx 1.0 1.8 4.3 222 179 A 37 LEU HBy A 39 TRP CZ3 1.0 1.8 4.3 223 180 A 37 LEU HDx% A 59 ARG HDy 1.0 2.8 5.3 224 180 A 37 LEU HDx% A 59 ARG HDx 1.0 2.8 5.3 225 181 A 37 LEU H A 126 THR H 1.0 0.8 3.3 226 182 A 37 LEU H A 126 THR HB 1.0 2.8 5.3 227 183 A 37 LEU H A 126 THR HG2% 1.0 1.8 4.3 228 184 A 37 LEU HDx% A 126 THR HA 1.0 2.8 5.3 229 185 A 126 THR HB A 37 LEU HDx% 1.0 2.8 5.3 230 186 A 37 LEU HDx% A 126 THR HG2% 1.0 1.8 4.3 231 187 A 38 TYR HA A 39 TRP H 1.0 0.8 3.3 232 188 A 39 TRP HA A 40 LYS H 1.0 0.8 3.3 233 189 A 40 LYS H A 39 TRP HBx 1.0 1.8 4.3 234 189 A 40 LYS H A 39 TRP HBy 1.0 1.8 4.3 235 190 A 41 LEU HD1% A 39 TRP HBx 1.0 1.8 4.3 236 190 A 39 TRP HBy A 41 LEU HD1% 1.0 1.8 4.3 237 191 A 41 LEU HD2% A 39 TRP HBx 1.0 1.8 4.3 238 191 A 39 TRP HBy A 41 LEU HD2% 1.0 1.8 4.3 239 192 A 41 LEU HD2% A 39 TRP HD1 1.0 2.8 5.3 240 193 A 39 TRP HD1 A 55 ILE HD1% 1.0 2.8 5.3 241 194 A 39 TRP HE1 A 55 ILE HG1y 1.0 1.8 4.3 242 194 A 39 TRP HE1 A 55 ILE HG1x 1.0 1.8 4.3 243 195 A 39 TRP HE1 A 55 ILE HG2% 1.0 0.8 3.3 244 196 A 55 ILE HD1% A 39 TRP HE1 1.0 1.8 4.3 245 197 A 55 ILE HD1% A 39 TRP HE3 1.0 2.8 5.3 246 198 A 55 ILE HG2% A 39 TRP HE3 1.0 1.8 4.3 247 199 A 55 ILE HD1% A 39 TRP HE3 1.0 1.8 4.3 248 200 A 39 TRP HH2 A 55 ILE HG2% 1.0 1.8 4.3 249 201 A 39 TRP HZ2 A 55 ILE HG2% 1.0 1.8 4.3 250 202 A 39 TRP H A 124 MET H 1.0 1.8 4.3 251 203 A 124 MET H A 39 TRP HBx 1.0 0.8 3.3 252 203 A 39 TRP HBy A 124 MET H 1.0 0.8 3.3 253 204 A 39 TRP HE3 A 124 MET H 1.0 2.8 5.3 254 205 A 39 TRP H A 125 VAL HB 1.0 2.8 5.3 255 206 A 40 LYS HA A 41 LEU H 1.0 0.8 3.3 256 207 A 41 LEU H A 40 LYS HBx 1.0 1.8 4.3 257 207 A 41 LEU H A 40 LYS HBy 1.0 1.8 4.3 258 208 A 41 LEU HD2% A 41 LEU HA 1.0 0.8 3.3 259 209 A 41 LEU HD1% A 52 LEU H 1.0 2.8 5.3 260 210 A 55 ILE HD1% A 41 LEU H 1.0 3.8 6.3 261 211 A 41 LEU HD1% A 55 ILE HD1% 1.0 0.8 3.3 262 212 A 41 LEU HD2% A 55 ILE HD1% 1.0 0.8 3.3 263 213 A 41 LEU HD1% A 97 TYR HD% 1.0 2.8 5.3 264 214 A 41 LEU HD2% A 97 TYR HD% 1.0 2.8 5.3 265 215 A 41 LEU HD1% A 97 TYR HEx 1.0 2.8 5.3 266 215 A 41 LEU HD1% A 97 TYR HEy 1.0 2.8 5.3 267 216 A 41 LEU HD2% A 97 TYR HEx 1.0 2.8 5.3 268 216 A 41 LEU HD2% A 97 TYR HEy 1.0 2.8 5.3 269 217 A 41 LEU HD1% A 99 LEU HDy% 1.0 2.8 5.3 270 217 A 41 LEU HD1% A 99 LEU HDx% 1.0 2.8 5.3 271 218 A 41 LEU HD2% A 99 LEU HDy% 1.0 2.8 5.3 272 218 A 41 LEU HD2% A 99 LEU HDx% 1.0 2.8 5.3 273 219 A 124 MET H A 41 LEU H 1.0 2.8 5.3 274 220 A 42 ASP H A 43 ALA H 1.0 2.8 5.3 275 221 A 43 ALA H A 42 ASP HA 1.0 0.8 3.3 276 222 A 43 ALA H A 42 ASP HBx 1.0 0.8 3.3 277 222 A 43 ALA H A 42 ASP HBy 1.0 0.8 3.3 278 223 A 42 ASP H A 44 ASP H 1.0 2.8 5.3 279 224 A 43 ALA H A 44 ASP H 1.0 1.8 4.3 280 225 A 44 ASP H A 43 ALA HA 1.0 0.8 3.3 281 226 A 44 ASP H A 43 ALA HB% 1.0 0.8 3.3 282 227 A 43 ALA HA A 46 TYR H 1.0 2.8 5.3 283 228 A 43 ALA HB% A 46 TYR H 1.0 2.8 5.3 284 229 A 43 ALA HB% A 46 TYR HBx 1.0 1.8 4.3 285 229 A 43 ALA HB% A 46 TYR HBy 1.0 1.8 4.3 286 230 A 43 ALA H A 97 TYR HEx 1.0 2.8 5.3 287 231 A 43 ALA HA A 99 LEU HA 1.0 1.8 4.3 288 232 A 43 ALA HB% A 99 LEU HDy% 1.0 0.8 3.3 289 233 A 43 ALA HB% A 122 GLY H 1.0 2.8 5.3 290 234 A 43 ALA H A 122 GLY HAx 1.0 1.8 4.3 291 235 A 44 ASP H A 45 LYS H 1.0 0.8 3.3 292 236 A 44 ASP H A 46 TYR H 1.0 2.8 5.3 293 237 A 46 TYR H A 44 ASP HA 1.0 2.8 5.3 294 238 A 44 ASP HA A 47 GLU H 1.0 2.8 5.3 295 239 A 46 TYR H A 45 LYS H 1.0 0.8 3.3 296 240 A 45 LYS HA A 48 ASN H 1.0 1.8 4.3 297 241 A 46 TYR H A 46 TYR HD% 1.0 0.8 3.3 298 242 A 46 TYR H A 47 GLU H 1.0 1.8 4.3 299 243 A 47 GLU H A 46 TYR HBx 1.0 2.8 5.3 300 243 A 46 TYR HBy A 47 GLU H 1.0 2.8 5.3 301 244 A 47 GLU H A 46 TYR HD% 1.0 1.8 4.3 302 245 A 46 TYR HD% A 52 LEU HA 1.0 2.8 5.3 303 246 A 46 TYR HD% A 52 LEU HDy% 1.0 2.8 5.3 304 247 A 46 TYR HE% A 64 MET HE% 1.0 1.8 4.3 305 248 A 46 TYR HD% A 66 ILE HG2% 1.0 2.8 5.3 306 249 A 46 TYR HE% A 66 ILE HG2% 1.0 2.8 5.3 307 250 A 46 TYR H A 97 TYR HEy 1.0 2.8 5.3 308 251 A 99 LEU HDx% A 46 TYR H 1.0 2.8 5.3 309 252 A 99 LEU HDx% A 46 TYR HD% 1.0 2.8 5.3 310 253 A 99 LEU HDx% A 46 TYR HE% 1.0 1.8 4.3 311 254 A 146 MET HE% A 46 TYR HBx 1.0 1.8 4.3 312 254 A 46 TYR HBy A 146 MET HE% 1.0 1.8 4.3 313 255 A 47 GLU H A 48 ASN H 1.0 0.8 3.3 314 256 A 48 ASN H A 47 GLU HA 1.0 1.8 4.3 315 257 A 47 GLU HA A 50 PRO HDx 1.0 1.8 4.3 316 257 A 47 GLU HA A 50 PRO HDy 1.0 1.8 4.3 317 258 A 99 LEU HDx% A 47 GLU H 1.0 2.8 5.3 318 259 A 48 ASN H A 49 ASP H 1.0 0.8 3.3 319 260 A 49 ASP H A 48 ASN HA 1.0 0.8 3.3 320 261 A 50 PRO HDy A 49 ASP H 1.0 2.8 5.3 321 262 A 49 ASP H A 50 PRO HDx 1.0 2.8 5.3 322 263 A 50 PRO HDy A 49 ASP HA 1.0 0.8 3.3 323 264 A 49 ASP HA A 50 PRO HDx 1.0 0.8 3.3 324 265 A 49 ASP HA A 50 PRO HGx 1.0 1.8 4.3 325 265 A 49 ASP HA A 50 PRO HGy 1.0 1.8 4.3 326 266 A 49 ASP HA A 51 GLU H 1.0 1.8 4.3 327 267 A 49 ASP HA A 51 GLU H 1.0 2.8 5.3 328 268 A 52 LEU H A 49 ASP H 1.0 2.8 5.3 329 269 A 52 LEU H A 49 ASP HBx 1.0 2.8 5.3 330 269 A 52 LEU H A 49 ASP HBy 1.0 2.8 5.3 331 270 A 51 GLU H A 50 PRO HA 1.0 2.8 5.3 332 271 A 51 GLU H A 50 PRO HBx 1.0 2.8 5.3 333 271 A 51 GLU H A 50 PRO HBy 1.0 2.8 5.3 334 272 A 50 PRO HA A 53 GLU H 1.0 1.8 4.3 335 273 A 50 PRO HA A 54 LYS H 1.0 2.8 5.3 336 274 A 54 LYS H A 50 PRO HBx 1.0 2.8 5.3 337 274 A 50 PRO HBy A 54 LYS H 1.0 2.8 5.3 338 275 A 52 LEU H A 51 GLU H 1.0 0.8 3.3 339 276 A 54 LYS H A 51 GLU HA 1.0 1.8 4.3 340 277 A 51 GLU HA A 54 LYS HBx 1.0 2.8 5.3 341 277 A 51 GLU HA A 54 LYS HBy 1.0 2.8 5.3 342 278 A 52 LEU H A 53 GLU H 1.0 0.8 3.3 343 279 A 52 LEU HA A 53 GLU H 1.0 2.8 5.3 344 280 A 53 GLU H A 52 LEU HBx 1.0 1.8 4.3 345 280 A 53 GLU H A 52 LEU HBy 1.0 1.8 4.3 346 281 A 52 LEU HA A 55 ILE H 1.0 2.8 5.3 347 282 A 55 ILE HG2% A 52 LEU HA 1.0 2.8 5.3 348 283 A 55 ILE H A 52 LEU HBx 1.0 2.8 5.3 349 283 A 52 LEU HBy A 55 ILE H 1.0 2.8 5.3 350 284 A 56 ARG H A 52 LEU HDx% 1.0 2.8 5.3 351 285 A 64 MET HBy A 52 LEU HDy% 1.0 2.8 5.3 352 285 A 52 LEU HDy% A 64 MET HBx 1.0 2.8 5.3 353 286 A 97 TYR HD% A 52 LEU HDy% 1.0 2.8 5.3 354 286 A 97 TYR HD% A 52 LEU HDx% 1.0 2.8 5.3 355 287 A 146 MET HE% A 52 LEU HDy% 1.0 0.8 3.3 356 288 A 53 GLU H A 54 LYS H 1.0 1.8 4.3 357 289 A 56 ARG H A 53 GLU HA 1.0 2.8 5.3 358 290 A 54 LYS H A 55 ILE H 1.0 1.8 4.3 359 291 A 54 LYS HA A 57 ARG H 1.0 1.8 4.3 360 292 A 57 ARG H A 54 LYS HGx 1.0 2.8 5.3 361 292 A 57 ARG H A 54 LYS HGy 1.0 2.8 5.3 362 293 A 54 LYS HA A 57 ARG HBy 1.0 0.8 3.3 363 293 A 54 LYS HA A 57 ARG HBx 1.0 0.8 3.3 364 294 A 55 ILE H A 56 ARG H 1.0 0.8 3.3 365 295 A 56 ARG H A 55 ILE HB 1.0 0.8 3.3 366 296 A 55 ILE HG2% A 56 ARG H 1.0 1.8 4.3 367 297 A 57 ARG H A 55 ILE HA 1.0 2.8 5.3 368 298 A 55 ILE HA A 58 GLU H 1.0 2.8 5.3 369 299 A 55 ILE HG2% A 61 TYR HEy 1.0 1.8 4.3 370 299 A 55 ILE HG2% A 61 TYR HEx 1.0 1.8 4.3 371 300 A 56 ARG H A 57 ARG H 1.0 0.8 3.3 372 301 A 56 ARG HA A 59 ARG H 1.0 2.8 5.3 373 302 A 56 ARG HA A 61 TYR H 1.0 0.8 3.3 374 303 A 56 ARG HE A 62 SER HA 1.0 1.8 4.3 375 304 A 56 ARG HH2% A 63 TRP HA 1.0 0.8 3.3 376 305 A 59 ARG H A 60 ASN H 1.0 0.8 3.3 377 306 A 59 ARG H A 60 ASN HA 1.0 2.8 5.3 378 307 A 60 ASN H A 59 ARG HBx 1.0 1.8 4.3 379 307 A 60 ASN H A 59 ARG HBy 1.0 1.8 4.3 380 308 A 59 ARG H A 61 TYR H 1.0 1.8 4.3 381 309 A 61 TYR H A 59 ARG HBx 1.0 1.8 4.3 382 309 A 61 TYR H A 59 ARG HBy 1.0 1.8 4.3 383 310 A 59 ARG H A 61 TYR H 1.0 2.8 5.3 384 311 A 59 ARG H A 61 TYR HDx 1.0 2.8 5.3 385 312 A 61 TYR HDy A 59 ARG HBx 1.0 1.8 4.3 386 312 A 59 ARG HBy A 61 TYR HDx 1.0 1.8 4.3 387 312 A 59 ARG HBy A 61 TYR HDy 1.0 1.8 4.3 388 312 A 61 TYR HDx A 59 ARG HBx 1.0 1.8 4.3 389 313 A 61 TYR H A 60 ASN H 1.0 0.8 3.3 390 314 A 61 TYR H A 60 ASN HA 1.0 1.8 4.3 391 315 A 150 VAL HGx% A 60 ASN HBx 1.0 1.8 4.3 392 315 A 60 ASN HBy A 150 VAL HGx% 1.0 1.8 4.3 393 316 A 150 VAL HGy% A 60 ASN HBx 1.0 2.8 5.3 394 316 A 60 ASN HBy A 150 VAL HGy% 1.0 2.8 5.3 395 317 A 61 TYR H A 62 SER H 1.0 2.8 5.3 396 318 A 62 SER H A 61 TYR HA 1.0 0.8 3.3 397 319 A 62 SER H A 61 TYR HDy 1.0 1.8 4.3 398 320 A 61 TYR HDx A 95 ILE HG2% 1.0 2.8 5.3 399 321 A 95 ILE HG2% A 61 TYR HEx 1.0 2.8 5.3 400 322 A 62 SER H A 63 TRP H 1.0 1.8 4.3 401 323 A 150 VAL HGx% A 62 SER H 1.0 2.8 5.3 402 324 A 150 VAL HGy% A 62 SER H 1.0 2.8 5.3 403 325 A 62 SER H A 151 GLY H 1.0 1.8 4.3 404 326 A 63 TRP HA A 64 MET H 1.0 0.8 3.3 405 327 A 64 MET H A 63 TRP HBx 1.0 2.8 5.3 406 327 A 64 MET H A 63 TRP HBy 1.0 2.8 5.3 407 328 A 63 TRP HE3 A 65 ASP H 1.0 2.8 5.3 408 329 A 65 ASP H A 63 TRP HH2 1.0 2.8 5.3 409 330 A 65 ASP H A 63 TRP HZ2 1.0 2.8 5.3 410 331 A 63 TRP H A 148 LEU HA 1.0 2.8 5.3 411 332 A 63 TRP H A 149 PHE H 1.0 1.8 4.3 412 333 A 149 PHE H A 63 TRP HBx 1.0 1.8 4.3 413 333 A 63 TRP HBy A 149 PHE H 1.0 1.8 4.3 414 334 A 63 TRP HBy A 149 PHE HBx 1.0 1.8 4.3 415 334 A 63 TRP HBx A 149 PHE HBx 1.0 1.8 4.3 416 334 A 149 PHE HBy A 63 TRP HBx 1.0 1.8 4.3 417 334 A 63 TRP HBy A 149 PHE HBy 1.0 1.8 4.3 418 335 A 63 TRP HE3 A 149 PHE HBx 1.0 2.8 5.3 419 335 A 63 TRP HE3 A 149 PHE HBy 1.0 2.8 5.3 420 336 A 63 TRP H A 151 GLY H 1.0 2.8 5.3 421 337 A 65 ASP H A 64 MET HA 1.0 0.8 3.3 422 338 A 65 ASP H A 64 MET HBx 1.0 2.8 5.3 423 338 A 64 MET HBy A 65 ASP H 1.0 2.8 5.3 424 339 A 64 MET HE% A 146 MET HA 1.0 2.8 5.3 425 340 A 64 MET HE% A 146 MET HE% 1.0 0.8 3.3 426 341 A 148 LEU HA A 64 MET HA 1.0 0.8 3.3 427 342 A 149 PHE H A 64 MET HA 1.0 2.8 5.3 428 343 A 65 ASP H A 147 ARG H 1.0 1.8 4.3 429 344 A 65 ASP H A 148 LEU HA 1.0 2.8 5.3 430 345 A 66 ILE HA A 67 ILE H 1.0 0.8 3.3 431 346 A 66 ILE HG2% A 67 ILE H 1.0 0.8 3.3 432 347 A 99 LEU HDx% A 66 ILE HG2% 1.0 1.8 4.3 433 348 A 99 LEU HDx% A 66 ILE HD1% 1.0 0.8 3.3 434 349 A 146 MET HA A 66 ILE HA 1.0 1.8 4.3 435 350 A 66 ILE HG2% A 146 MET HA 1.0 2.8 5.3 436 351 A 67 ILE HA A 68 THR H 1.0 0.8 3.3 437 352 A 67 ILE H A 145 ALA H 1.0 2.8 5.3 438 353 A 145 ALA H A 67 ILE HG2% 1.0 2.8 5.3 439 354 A 67 ILE HG2% A 145 ALA HB% 1.0 2.8 5.3 440 355 A 146 MET HA A 67 ILE H 1.0 1.8 4.3 441 356 A 67 ILE HG2% A 147 ARG HE 1.0 2.8 5.3 442 357 A 68 THR HG2% A 69 ILE H 1.0 1.8 4.3 443 358 A 69 ILE H A 68 THR HA 1.0 1.8 4.3 444 359 A 68 THR HG2% A 70 CYS H 1.0 2.8 5.3 445 360 A 68 THR HG2% A 142 TYR HEx 1.0 1.8 4.3 446 361 A 69 ILE H A 70 CYS H 1.0 2.8 5.3 447 362 A 70 CYS H A 69 ILE HA 1.0 0.8 3.3 448 363 A 70 CYS H A 69 ILE HG2% 1.0 0.8 3.3 449 364 A 69 ILE HG2% A 77 TYR HEx 1.0 1.8 4.3 450 365 A 69 ILE HG2% A 81 ILE HG2% 1.0 2.8 5.3 451 366 A 69 ILE HG2% A 81 ILE HD1% 1.0 2.8 5.3 452 367 A 69 ILE H A 143 THR H 1.0 2.8 5.3 453 368 A 69 ILE HD1% A 143 THR HB 1.0 2.8 5.3 454 369 A 70 CYS H A 71 LYS H 1.0 2.8 5.3 455 370 A 70 CYS H A 77 TYR HDx 1.0 2.8 5.3 456 371 A 70 CYS H A 77 TYR HEx 1.0 2.8 5.3 457 372 A 70 CYS HA A 142 TYR HA 1.0 2.8 5.3 458 373 A 71 LYS H A 72 ASP H 1.0 2.8 5.3 459 374 A 71 LYS HA A 74 LEU H 1.0 2.8 5.3 460 375 A 72 ASP H A 73 LYS H 1.0 0.8 3.3 461 376 A 74 LEU H A 73 LYS H 1.0 0.8 3.3 462 377 A 74 LEU HA A 75 PRO HDy 1.0 0.8 3.3 463 378 A 74 LEU HA A 75 PRO HDx 1.0 0.8 3.3 464 379 A 74 LEU HDx% A 75 PRO HDx 1.0 1.8 4.3 465 379 A 74 LEU HDx% A 75 PRO HDy 1.0 1.8 4.3 466 380 A 74 LEU HDx% A 75 PRO HDx 1.0 1.8 4.3 467 380 A 74 LEU HDx% A 75 PRO HDy 1.0 1.8 4.3 468 381 A 74 LEU HA A 76 ASN HBx 1.0 2.8 5.3 469 381 A 74 LEU HA A 76 ASN HBy 1.0 2.8 5.3 470 382 A 74 LEU HDy% A 77 TYR HA 1.0 0.8 3.3 471 383 A 77 TYR HDx A 74 LEU HDy% 1.0 1.8 4.3 472 383 A 74 LEU HDy% A 77 TYR HDy 1.0 1.8 4.3 473 384 A 74 LEU HDy% A 80 LYS H 1.0 2.8 5.3 474 385 A 76 ASN H A 77 TYR H 1.0 1.8 4.3 475 386 A 77 TYR H A 76 ASN HA 1.0 1.8 4.3 476 387 A 79 GLU H A 76 ASN HBx 1.0 2.8 5.3 477 387 A 76 ASN HBy A 79 GLU H 1.0 2.8 5.3 478 388 A 76 ASN HA A 80 LYS HBx 1.0 1.8 4.3 479 388 A 76 ASN HA A 80 LYS HBy 1.0 1.8 4.3 480 389 A 77 TYR H A 78 GLU H 1.0 1.8 4.3 481 390 A 77 TYR HA A 80 LYS H 1.0 2.8 5.3 482 391 A 78 GLU H A 77 TYR HDy 1.0 0.8 3.3 483 392 A 81 ILE HD1% A 77 TYR HDx 1.0 2.8 5.3 484 392 A 81 ILE HD1% A 77 TYR HDy 1.0 2.8 5.3 485 393 A 81 ILE HD1% A 77 TYR HEy 1.0 2.8 5.3 486 393 A 77 TYR HEx A 81 ILE HD1% 1.0 2.8 5.3 487 394 A 77 TYR HEx A 82 LYS H 1.0 2.8 5.3 488 394 A 82 LYS H A 77 TYR HEy 1.0 2.8 5.3 489 395 A 79 GLU H A 78 GLU H 1.0 0.8 3.3 490 396 A 78 GLU HA A 81 ILE H 1.0 1.8 4.3 491 397 A 81 ILE HG2% A 78 GLU HA 1.0 0.8 3.3 492 398 A 80 LYS H A 79 GLU H 1.0 0.8 3.3 493 399 A 82 LYS H A 79 GLU HA 1.0 1.8 4.3 494 400 A 80 LYS H A 81 ILE H 1.0 0.8 3.3 495 401 A 81 ILE H A 80 LYS HA 1.0 2.8 5.3 496 402 A 80 LYS HA A 83 MET HBx 1.0 2.8 5.3 497 402 A 80 LYS HA A 83 MET HBy 1.0 2.8 5.3 498 403 A 80 LYS HA A 155 TRP HE3 1.0 2.8 5.3 499 403 A 80 LYS HA A 155 TRP HE1 1.0 2.8 5.3 500 404 A 84 PHE HE% A 80 LYS HBx 1.0 1.8 4.3 501 404 A 80 LYS HBy A 84 PHE HE% 1.0 1.8 4.3 502 405 A 84 PHE HE% A 80 LYS HGy 1.0 1.8 4.3 503 405 A 84 PHE HE% A 80 LYS HGx 1.0 1.8 4.3 504 406 A 80 LYS HA A 155 TRP HH2 1.0 0.8 3.3 505 407 A 82 LYS H A 81 ILE H 1.0 1.8 4.3 506 408 A 81 ILE HG2% A 82 LYS H 1.0 2.8 5.3 507 409 A 81 ILE HD1% A 82 LYS H 1.0 1.8 4.3 508 410 A 81 ILE H A 83 MET H 1.0 2.8 5.3 509 411 A 84 PHE HE% A 81 ILE HA 1.0 2.8 5.3 510 412 A 81 ILE HD1% A 137 VAL H 1.0 2.8 5.3 511 413 A 81 ILE HD1% A 137 VAL HGy% 1.0 1.8 4.3 512 414 A 82 LYS HA A 85 TYR HE% 1.0 1.8 4.3 513 415 A 83 MET H A 83 MET HBx 1.0 0.8 3.3 514 416 A 83 MET HBy A 84 PHE H 1.0 0.8 3.3 515 417 A 155 TRP HH2 A 83 MET H 1.0 1.8 4.3 516 418 A 155 TRP HH2 A 83 MET HBx 1.0 1.8 4.3 517 419 A 155 TRP HZ2 A 83 MET HBx 1.0 0.8 3.3 518 420 A 155 TRP HZ2 A 83 MET HE% 1.0 2.8 5.3 519 421 A 83 MET HE% A 155 TRP HE3 1.0 2.8 5.3 520 422 A 83 MET HA A 158 TYR HE% 1.0 1.8 4.3 521 423 A 83 MET HBy A 155 TRP HE1 1.0 2.8 5.3 522 423 A 155 TRP HE3 A 83 MET HBx 1.0 2.8 5.3 523 423 A 155 TRP HE1 A 83 MET HBx 1.0 2.8 5.3 524 423 A 83 MET HBy A 155 TRP HE3 1.0 2.8 5.3 525 424 A 158 TYR HE% A 83 MET HBx 1.0 2.8 5.3 526 424 A 83 MET HBy A 158 TYR HE% 1.0 2.8 5.3 527 425 A 158 TYR HE% A 83 MET HGx 1.0 2.8 5.3 528 425 A 158 TYR HE% A 83 MET HGy 1.0 2.8 5.3 529 426 A 86 GLU H A 85 TYR HBx 1.0 2.8 5.3 530 426 A 85 TYR HBy A 86 GLU H 1.0 2.8 5.3 531 427 A 137 VAL H A 85 TYR HE% 1.0 2.8 5.3 532 428 A 87 GLU H A 86 GLU HBx 1.0 2.8 5.3 533 428 A 86 GLU HBy A 87 GLU H 1.0 2.8 5.3 534 429 A 90 HIS HA A 91 LEU H 1.0 1.8 4.3 535 430 A 95 ILE HG2% A 124 MET HE% 1.0 0.8 3.3 536 431 A 95 ILE H A 148 LEU H 1.0 1.8 4.3 537 432 A 95 ILE HG2% A 148 LEU HBx 1.0 0.8 3.3 538 432 A 95 ILE HG2% A 148 LEU HBy 1.0 0.8 3.3 539 433 A 95 ILE HG2% A 148 LEU HDx% 1.0 0.8 3.3 540 434 A 98 ILE HD1% A 96 ARG HDx 1.0 1.8 4.3 541 434 A 96 ARG HDy A 98 ILE HD1% 1.0 1.8 4.3 542 435 A 96 ARG H A 125 VAL H 1.0 1.8 4.3 543 436 A 97 TYR HEx A 99 LEU HA 1.0 1.8 4.3 544 436 A 99 LEU HA A 97 TYR HEy 1.0 1.8 4.3 545 437 A 97 TYR HEx A 99 LEU HDy% 1.0 2.8 5.3 546 437 A 97 TYR HEy A 99 LEU HDy% 1.0 2.8 5.3 547 438 A 124 MET H A 97 TYR HEx 1.0 0.8 3.3 548 439 A 97 TYR H A 146 MET H 1.0 2.8 5.3 549 440 A 98 ILE HG2% A 99 LEU H 1.0 1.8 4.3 550 441 A 98 ILE HA A 100 ASP H 1.0 1.8 4.3 551 442 A 98 ILE HG2% A 100 ASP H 1.0 1.8 4.3 552 443 A 98 ILE HG2% A 100 ASP H 1.0 2.8 5.3 553 444 A 98 ILE HG2% A 123 ASP H 1.0 2.8 5.3 554 445 A 98 ILE HG2% A 143 THR HG2% 1.0 0.8 3.3 555 446 A 145 ALA HB% A 98 ILE HD1% 1.0 0.8 3.3 556 447 A 98 ILE HD1% A 146 MET H 1.0 2.8 5.3 557 448 A 99 LEU H A 100 ASP H 1.0 0.8 3.3 558 449 A 99 LEU H A 121 LYS HA 1.0 2.8 5.3 559 450 A 99 LEU H A 145 ALA HA 1.0 1.8 4.3 560 451 A 99 LEU HDx% A 145 ALA HA 1.0 2.8 5.3 561 452 A 146 MET H A 99 LEU H 1.0 2.8 5.3 562 453 A 99 LEU HDx% A 146 MET HE% 1.0 0.8 3.3 563 454 A 99 LEU HDx% A 146 MET HE% 1.0 1.8 4.3 564 455 A 146 MET HE% A 99 LEU HDy% 1.0 0.8 3.3 565 456 A 100 ASP HA A 101 GLY H 1.0 0.8 3.3 566 457 A 100 ASP H A 101 GLY HAy 1.0 2.8 5.3 567 458 A 101 GLY H A 100 ASP HBx 1.0 2.8 5.3 568 458 A 101 GLY H A 100 ASP HBy 1.0 2.8 5.3 569 459 A 100 ASP H A 121 LYS HA 1.0 2.8 5.3 570 460 A 100 ASP H A 145 ALA HA 1.0 0.8 3.3 571 461 A 101 GLY H A 102 SER H 1.0 1.8 4.3 572 462 A 101 GLY H A 121 LYS HBx 1.0 2.8 5.3 573 462 A 101 GLY H A 121 LYS HBy 1.0 2.8 5.3 574 463 A 101 GLY H A 142 TYR HD% 1.0 2.8 5.3 575 464 A 142 TYR HEx A 101 GLY H 1.0 2.8 5.3 576 464 A 101 GLY H A 142 TYR HEy 1.0 2.8 5.3 577 465 A 143 THR HG2% A 101 GLY H 1.0 2.8 5.3 578 466 A 102 SER HA A 103 GLY H 1.0 0.8 3.3 579 467 A 102 SER H A 142 TYR HD% 1.0 2.8 5.3 580 468 A 102 SER H A 143 THR HA 1.0 0.8 3.3 581 469 A 143 THR HG2% A 102 SER H 1.0 1.8 4.3 582 470 A 103 GLY H A 104 TYR H 1.0 2.8 5.3 583 471 A 103 GLY H A 118 PHE HD% 1.0 2.8 5.3 584 472 A 103 GLY H A 118 PHE HE% 1.0 2.8 5.3 585 473 A 103 GLY H A 119 MET H 1.0 2.8 5.3 586 474 A 105 PHE HE% A 125 VAL HGx% 1.0 1.8 4.3 587 475 A 104 TYR H A 105 PHE H 1.0 2.8 5.3 588 476 A 105 PHE H A 104 TYR HBx 1.0 2.8 5.3 589 476 A 105 PHE H A 104 TYR HBy 1.0 2.8 5.3 590 477 A 105 PHE H A 104 TYR HD% 1.0 2.8 5.3 591 478 A 119 MET H A 104 TYR HA 1.0 1.8 4.3 592 479 A 104 TYR H A 136 THR H 1.0 1.8 4.3 593 480 A 105 PHE HA A 106 ASP H 1.0 0.8 3.3 594 481 A 106 ASP H A 105 PHE HBx 1.0 2.8 5.3 595 481 A 106 ASP H A 105 PHE HBy 1.0 2.8 5.3 596 482 A 106 ASP HA A 107 VAL H 1.0 0.8 3.3 597 483 A 107 VAL HA A 108 ARG H 1.0 0.8 3.3 598 484 A 107 VAL H A 114 TRP HE3 1.0 0.8 3.3 599 485 A 107 VAL H A 115 ILE H 1.0 1.8 4.3 600 486 A 107 VAL H A 116 ARG HA 1.0 1.8 4.3 601 487 A 110 LYS H A 109 ASP HBx 1.0 1.8 4.3 602 487 A 109 ASP HBy A 110 LYS H 1.0 1.8 4.3 603 488 A 109 ASP H A 113 GLN H 1.0 2.8 5.3 604 489 A 115 ILE HD1% A 109 ASP HBx 1.0 1.8 4.3 605 489 A 115 ILE HD1% A 109 ASP HBy 1.0 1.8 4.3 606 490 A 110 LYS H A 111 GLU H 1.0 1.8 4.3 607 491 A 111 GLU H A 110 LYS HA 1.0 1.8 4.3 608 492 A 110 LYS H A 112 ASP H 1.0 2.8 5.3 609 493 A 111 GLU H A 112 ASP H 1.0 0.8 3.3 610 494 A 113 GLN H A 111 GLU H 1.0 2.8 5.3 611 495 A 113 GLN H A 112 ASP H 1.0 1.8 4.3 612 496 A 113 GLN H A 112 ASP HA 1.0 1.8 4.3 613 497 A 111 GLU H A 110 LYS HA 1.0 0.8 3.3 614 498 A 115 ILE H A 114 TRP HA 1.0 0.8 3.3 615 499 A 115 ILE HA A 116 ARG H 1.0 0.8 3.3 616 500 A 115 ILE HG2% A 116 ARG H 1.0 0.8 3.3 617 501 A 117 ILE HG2% A 115 ILE HD1% 1.0 2.8 5.3 618 502 A 116 ARG HA A 117 ILE H 1.0 0.8 3.3 619 503 A 117 ILE HA A 118 PHE H 1.0 0.8 3.3 620 504 A 118 PHE H A 117 ILE HB 1.0 2.8 5.3 621 505 A 122 GLY H A 121 LYS H 1.0 2.8 5.3 622 506 A 123 ASP H A 121 LYS H 1.0 2.8 5.3 623 507 A 124 MET H A 123 ASP H 1.0 1.8 4.3 624 508 A 124 MET H A 123 ASP HA 1.0 0.8 3.3 625 509 A 126 THR H A 125 VAL HB 1.0 2.8 5.3 626 510 A 125 VAL HGy% A 126 THR H 1.0 1.8 4.3 627 511 A 124 MET H A 123 ASP HA 1.0 0.8 3.3 628 512 A 126 THR HA A 127 LEU H 1.0 1.8 4.3 629 513 A 126 THR HB A 127 LEU H 1.0 2.8 5.3 630 514 A 126 THR HG2% A 127 LEU H 1.0 1.8 4.3 631 515 A 127 LEU HDy% A 131 ILE HG2% 1.0 1.8 4.3 632 516 A 127 LEU HDy% A 131 ILE HD1% 1.0 1.8 4.3 633 517 A 137 VAL HGy% A 141 ASN HA 1.0 1.8 4.3 634 518 A 137 VAL HGy% A 141 ASN H 1.0 1.8 4.3 635 519 A 139 GLU H A 140 LYS H 1.0 2.8 5.3 636 520 A 140 LYS H A 139 GLU HA 1.0 0.8 3.3 637 521 A 141 ASN H A 139 GLU H 1.0 2.8 5.3 638 522 A 141 ASN H A 140 LYS HBx 1.0 2.8 5.3 639 522 A 141 ASN H A 140 LYS HBy 1.0 2.8 5.3 640 523 A 141 ASN H A 142 TYR H 1.0 1.8 4.3 641 524 A 141 ASN HA A 142 TYR H 1.0 1.8 4.3 642 525 A 142 TYR H A 141 ASN HBx 1.0 2.8 5.3 643 525 A 142 TYR H A 141 ASN HBy 1.0 2.8 5.3 644 526 A 143 THR H A 142 TYR HA 1.0 0.8 3.3 645 527 A 143 THR H A 142 TYR HBx 1.0 2.8 5.3 646 527 A 143 THR H A 142 TYR HBy 1.0 2.8 5.3 647 528 A 143 THR HA A 144 LYS H 1.0 1.8 4.3 648 529 A 144 LYS H A 143 THR HG1 1.0 1.8 4.3 649 530 A 145 ALA H A 144 LYS HA 1.0 0.8 3.3 650 531 A 146 MET H A 145 ALA HA 1.0 0.8 3.3 651 532 A 145 ALA HB% A 146 MET H 1.0 2.8 5.3 652 533 A 148 LEU HA A 149 PHE H 1.0 0.8 3.3 653 534 A 153 PRO HA A 156 THR H 1.0 1.8 4.3 654 535 A 154 VAL HA A 157 ALA H 1.0 1.8 4.3 655 536 A 155 TRP HA A 158 TYR H 1.0 1.8 4.3 656 537 A 158 TYR H A 157 ALA HB% 1.0 0.8 3.3 657 538 A 162 ALA H A 163 ASP H 1.0 1.8 4.3 658 539 A 163 ASP H A 162 ALA HA 1.0 1.8 4.3 659 540 A 163 ASP H A 162 ALA HB% 1.0 2.8 5.3 660 541 A 166 GLU HA A 167 ALA H 1.0 0.8 3.3 661 542 A 167 ALA H A 166 GLU H 1.0 2.8 5.3 662 543 A 167 ALA HA A 168 ARG H 1.0 0.8 3.3 663 544 A 167 ALA H A 168 ARG H 1.0 2.8 5.3 664 545 A 168 ARG H A 169 GLY H 1.0 0.8 3.3 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 GLN O A 118 PHE N 1.0 0.9 3.4 2 2 A 4 ALA O A 26 VAL N 1.0 0.5 3.0 3 3 A 5 TRP CA A 25 PRO CA 1.0 2.3 4.8 4 4 A 5 TRP O A 116 ARG N 1.0 0.9 3.4 5 5 A 5 TRP N A 116 ARG O 1.0 0.9 3.4 6 6 A 6 TYR CA A 115 ILE CA 1.0 2.4 4.9 7 7 A 6 TYR N A 24 ARG O 1.0 2.2 4.7 8 8 A 7 MET N A 114 TRP O 1.0 1.2 3.7 9 9 A 37 LEU O A 126 THR N 1.0 0.8 3.3 10 10 A 37 LEU N A 126 THR O 1.0 0.8 3.3 11 11 A 38 TYR CA A 125 VAL CA 1.0 2.2 4.7 12 12 A 39 TRP O A 124 MET N 1.0 0.6 3.1 13 13 A 39 TRP N A 124 MET O 1.0 0.6 3.1 14 14 A 63 TRP N A 149 PHE O 1.0 1.8 4.3 15 15 A 63 TRP O A 149 PHE N 1.0 0.8 3.3 16 16 A 64 MET CA A 148 LEU CA 1.0 2.4 4.9 17 17 A 65 ASP N A 147 ARG O 1.0 0.8 3.3 18 18 A 65 ASP O A 147 ARG N 1.0 0.8 3.3 19 19 A 66 ILE CA A 146 MET CA 1.0 2.4 4.9 20 20 A 67 ILE N A 145 ALA O 1.0 0.8 3.3 21 21 A 67 ILE O A 145 ALA N 1.0 0.8 3.3 22 22 A 68 THR CA A 144 LYS CA 1.0 2.4 4.9 23 23 A 69 ILE N A 143 THR O 1.0 0.8 3.3 24 24 A 69 ILE O A 143 THR N 1.0 0.8 3.3 25 25 A 83 MET O A 158 TYR HH 1.0 0.2 2.7 26 26 A 88 HIS N A 133 HIS O 1.0 1.0 3.5 27 27 A 88 HIS O A 133 HIS N 1.0 1.0 3.5 28 28 A 88 HIS N A 133 HIS O 1.0 1.0 3.5 29 29 A 89 LEU O A 162 ALA N 1.0 0.6 3.1 30 30 A 94 GLU O A 127 LEU N 1.0 0.6 3.1 31 31 A 94 GLU N A 127 LEU O 1.0 0.6 3.1 32 32 A 95 ILE CA A 126 THR CA 1.0 2.2 4.7 33 33 A 95 ILE O A 148 LEU N 1.0 0.8 3.3 34 34 A 96 ARG O A 125 VAL N 1.0 0.8 3.3 35 35 A 96 ARG N A 125 VAL O 1.0 0.8 3.3 36 36 A 97 TYR CA A 124 MET CA 1.0 1.8 4.3 37 37 A 97 TYR O A 146 MET N 1.0 0.8 3.3 38 38 A 97 TYR N A 146 MET O 1.0 0.8 3.3 39 39 A 98 ILE N A 123 ASP O 1.0 0.6 3.1 40 40 A 99 LEU N A 144 LYS O 1.0 0.6 3.1 41 41 A 103 GLY O A 119 MET N 1.0 0.8 3.3 42 42 A 103 GLY N A 119 MET O 1.0 0.7 3.2 43 43 A 104 TYR CA A 118 PHE CA 1.0 2.4 4.9 44 44 A 104 TYR O A 136 THR N 1.0 1.0 3.5 45 45 A 104 TYR N A 136 THR O 1.0 0.6 3.1 46 46 A 105 PHE O A 117 ILE N 1.0 0.7 3.2 47 47 A 105 PHE N A 117 ILE O 1.0 0.6 3.1 48 48 A 105 PHE CA A 135 PHE CA 1.0 2.6 5.1 49 49 A 106 ASP O A 134 ARG N 1.0 1.1 3.6 50 50 A 106 ASP N A 134 ARG O 1.0 1.1 3.6 51 51 A 107 VAL CA A 133 HIS CA 1.0 2.3 4.8 52 52 A 107 VAL O A 115 ILE N 1.0 1.1 3.6 53 53 A 107 VAL N A 115 ILE O 1.0 1.1 3.6 54 54 A 27 GLY O A 31 LEU N 1.0 1.4 3.9 55 55 A 28 LEU O A 32 ARG N 1.0 0.7 3.2 56 56 A 29 GLU O A 33 ARG N 1.0 0.7 3.2 57 57 A 30 GLN O A 34 LEU N 1.0 1.0 3.5 58 58 A 42 ASP O A 46 TYR N 1.0 0.8 3.3 59 59 A 43 ALA O A 47 GLU N 1.0 0.8 3.3 60 60 A 44 ASP O A 48 ASN N 1.0 0.8 3.3 61 61 A 50 PRO O A 54 LYS N 1.0 0.8 3.3 62 62 A 51 GLU O A 55 ILE N 1.0 0.8 3.3 63 63 A 52 LEU O A 56 ARG N 1.0 0.8 3.3 64 64 A 53 GLU O A 57 ARG N 1.0 0.8 3.3 65 65 A 54 LYS O A 58 GLU N 1.0 0.8 3.3 66 66 A 55 ILE O A 59 ARG N 1.0 0.8 3.3 67 67 A 76 ASN OD1 A 79 GLU N 1.0 0.8 3.3 68 68 A 76 ASN O A 80 LYS N 1.0 0.8 3.3 69 69 A 77 TYR O A 81 ILE N 1.0 0.8 3.3 70 70 A 78 GLU O A 82 LYS N 1.0 0.8 3.3 71 71 A 79 GLU O A 83 MET N 1.0 0.8 3.3 72 72 A 80 LYS O A 84 PHE N 1.0 0.8 3.3 73 73 A 81 ILE O A 85 TYR N 1.0 0.8 3.3 74 74 A 82 LYS O A 86 GLU N 1.0 0.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -127.50 -74.90 PHI 2 2 A 2 VAL C A 3 GLN N A 3 GLN CA A 3 GLN C 1.0 -104.10 -63.00 PHI 3 3 A 3 GLN C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -163.00 -105.60 PHI 4 4 A 4 ALA C A 5 TRP N A 5 TRP CA A 5 TRP C 1.0 -147.30 -73.50 PHI 5 5 A 6 TYR C A 7 MET N A 7 MET CA A 7 MET C 1.0 -117.50 -42.20 PHI 6 6 A 7 MET C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -116.20 -54.40 PHI 7 7 A 9 ASP C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -105.40 -58.00 PHI 8 8 A 10 ALA C A 11 PRO N A 11 PRO CA A 11 PRO C 1.0 -86.80 -46.80 PHI 9 9 A 12 GLY C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -114.40 -43.50 PHI 10 10 A 13 ASP C A 14 PRO N A 14 PRO CA A 14 PRO C 1.0 -103.65 -32.75 PHI 11 11 A 14 PRO C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -126.80 -52.60 PHI 12 12 A 15 ARG C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -107.70 -33.50 PHI 13 13 A 17 PRO C A 18 HIS N A 18 HIS CA A 18 HIS C 1.0 45.65 85.65 PHI 14 14 A 18 HIS C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -128.20 -62.10 PHI 15 15 A 19 ARG C A 20 PRO N A 20 PRO CA A 20 PRO C 1.0 -87.55 -47.55 PHI 16 16 A 20 PRO C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -168.80 -55.90 PHI 17 17 A 21 ASP C A 22 PRO N A 22 PRO CA A 22 PRO C 1.0 -83.45 -43.45 PHI 18 18 A 23 GLY C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -152.50 -75.80 PHI 19 19 A 24 ARG C A 25 PRO N A 25 PRO CA A 25 PRO C 1.0 -95.80 -48.10 PHI 20 20 A 25 PRO C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -164.70 -58.00 PHI 21 21 A 27 GLY C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -78.45 -38.45 PHI 22 22 A 28 LEU C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -83.75 -43.75 PHI 23 23 A 29 GLU C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -85.70 -45.70 PHI 24 24 A 30 GLN C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -88.75 -48.75 PHI 25 25 A 31 LEU C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -85.00 -45.00 PHI 26 26 A 32 ARG C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -89.75 -49.75 PHI 27 27 A 33 ARG C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -106.90 -66.90 PHI 28 28 A 34 LEU C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 75.55 115.55 PHI 29 29 A 35 GLY C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -101.20 -58.20 PHI 30 30 A 37 LEU C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -170.50 -111.10 PHI 31 31 A 38 TYR C A 39 TRP N A 39 TRP CA A 39 TRP C 1.0 -159.40 -101.50 PHI 32 32 A 39 TRP C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -136.70 -88.60 PHI 33 33 A 40 LYS C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -139.25 -99.25 PHI 34 34 A 41 LEU C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -120.00 -52.80 PHI 35 35 A 42 ASP C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -83.10 -43.10 PHI 36 36 A 43 ALA C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -105.50 -60.10 PHI 37 37 A 44 ASP C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -132.10 -85.70 PHI 38 38 A 45 LYS C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -85.50 -45.50 PHI 39 39 A 46 TYR C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -82.15 -42.15 PHI 40 40 A 47 GLU C A 48 ASN N A 48 ASN CA A 48 ASN C 1.0 -107.45 -67.45 PHI 41 41 A 48 ASN C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -129.90 -61.30 PHI 42 42 A 49 ASP C A 50 PRO N A 50 PRO CA A 50 PRO C 1.0 -81.55 -41.55 PHI 43 43 A 50 PRO C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -83.70 -43.70 PHI 44 44 A 51 GLU C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -84.50 -44.50 PHI 45 45 A 52 LEU C A 53 GLU N A 53 GLU CA A 53 GLU C 1.0 -85.20 -45.20 PHI 46 46 A 53 GLU C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -86.65 -46.65 PHI 47 47 A 54 LYS C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -84.00 -44.00 PHI 48 48 A 55 ILE C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -80.80 -40.80 PHI 49 49 A 56 ARG C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -85.40 -45.40 PHI 50 50 A 57 ARG C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -85.60 -45.60 PHI 51 51 A 58 GLU C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -123.70 -76.60 PHI 52 52 A 59 ARG C A 60 ASN N A 60 ASN CA A 60 ASN C 1.0 34.25 74.25 PHI 53 53 A 60 ASN C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -138.60 -70.60 PHI 54 54 A 61 TYR C A 62 SER N A 62 SER CA A 62 SER C 1.0 -119.40 -52.10 PHI 55 55 A 62 SER C A 63 TRP N A 63 TRP CA A 63 TRP C 1.0 -153.00 -67.50 PHI 56 56 A 63 TRP C A 64 MET N A 64 MET CA A 64 MET C 1.0 -157.60 -98.80 PHI 57 57 A 65 ASP C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -156.30 -107.70 PHI 58 58 A 66 ILE C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -150.30 -110.30 PHI 59 59 A 67 ILE C A 68 THR N A 68 THR CA A 68 THR C 1.0 -125.40 -64.00 PHI 60 60 A 69 ILE C A 70 CYS N A 70 CYS CA A 70 CYS C 1.0 -171.50 -49.70 PHI 61 61 A 70 CYS C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -78.55 -38.55 PHI 62 62 A 71 LYS C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -88.30 -48.30 PHI 63 63 A 72 ASP C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -109.90 -69.90 PHI 64 64 A 73 LYS C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -139.40 -77.20 PHI 65 65 A 75 PRO C A 76 ASN N A 76 ASN CA A 76 ASN C 1.0 23.46 85.66 PHI 66 66 A 76 ASN C A 77 TYR N A 77 TYR CA A 77 TYR C 1.0 -81.95 -41.95 PHI 67 67 A 77 TYR C A 78 GLU N A 78 GLU CA A 78 GLU C 1.0 -82.50 -42.50 PHI 68 68 A 78 GLU C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -87.35 -47.35 PHI 69 69 A 79 GLU C A 80 LYS N A 80 LYS CA A 80 LYS C 1.0 -83.75 -43.75 PHI 70 70 A 80 LYS C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -86.60 -46.60 PHI 71 71 A 81 ILE C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -87.30 -47.30 PHI 72 72 A 82 LYS C A 83 MET N A 83 MET CA A 83 MET C 1.0 -85.95 -45.95 PHI 73 73 A 83 MET C A 84 PHE N A 84 PHE CA A 84 PHE C 1.0 -86.75 -46.75 PHI 74 74 A 84 PHE C A 85 TYR N A 85 TYR CA A 85 TYR C 1.0 -86.75 -46.75 PHI 75 75 A 85 TYR C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -86.75 -46.75 PHI 76 76 A 86 GLU C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -90.00 -50.00 PHI 77 77 A 87 GLU C A 88 HIS N A 88 HIS CA A 88 HIS C 1.0 -172.75 -132.75 PHI 78 78 A 88 HIS C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -149.20 -109.20 PHI 79 79 A 89 LEU C A 90 HIS N A 90 HIS CA A 90 HIS C 1.0 -212.75 -172.75 PHI 80 80 A 90 HIS C A 91 LEU N A 91 LEU CA A 91 LEU C 1.0 -106.30 -66.30 PHI 81 81 A 91 LEU C A 92 ASP N A 92 ASP CA A 92 ASP C 1.0 -150.00 -110.00 PHI 82 82 A 92 ASP C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -83.90 -43.90 PHI 83 83 A 93 ASP C A 94 GLU N A 94 GLU CA A 94 GLU C 1.0 -136.30 -96.30 PHI 84 84 A 94 GLU C A 95 ILE N A 95 ILE CA A 95 ILE C 1.0 -143.00 -103.00 PHI 85 85 A 95 ILE C A 96 ARG N A 96 ARG CA A 96 ARG C 1.0 -160.70 -93.10 PHI 86 86 A 96 ARG C A 97 TYR N A 97 TYR CA A 97 TYR C 1.0 -161.60 -88.40 PHI 87 87 A 97 TYR C A 98 ILE N A 98 ILE CA A 98 ILE C 1.0 -121.90 -67.60 PHI 88 88 A 103 GLY C A 104 TYR N A 104 TYR CA A 104 TYR C 1.0 -160.30 -88.00 PHI 89 89 A 104 TYR C A 105 PHE N A 105 PHE CA A 105 PHE C 1.0 -151.10 -68.40 PHI 90 90 A 106 ASP C A 107 VAL N A 107 VAL CA A 107 VAL C 1.0 -160.60 -103.20 PHI 91 91 A 107 VAL C A 108 ARG N A 108 ARG CA A 108 ARG C 1.0 -123.40 -64.90 PHI 92 92 A 108 ARG C A 109 ASP N A 109 ASP CA A 109 ASP C 1.0 -109.80 -64.80 PHI 93 93 A 109 ASP C A 110 LYS N A 110 LYS CA A 110 LYS C 1.0 -85.40 -45.40 PHI 94 94 A 110 LYS C A 111 GLU N A 111 GLU CA A 111 GLU C 1.0 -90.10 -50.10 PHI 95 95 A 111 GLU C A 112 ASP N A 112 ASP CA A 112 ASP C 1.0 36.10 76.10 PHI 96 96 A 112 ASP C A 113 GLN N A 113 GLN CA A 113 GLN C 1.0 -152.60 -78.00 PHI 97 97 A 113 GLN C A 114 TRP N A 114 TRP CA A 114 TRP C 1.0 -142.90 -57.80 PHI 98 98 A 114 TRP C A 115 ILE N A 115 ILE CA A 115 ILE C 1.0 -140.10 -96.50 PHI 99 99 A 115 ILE C A 116 ARG N A 116 ARG CA A 116 ARG C 1.0 -136.00 -90.80 PHI 100 100 A 116 ARG C A 117 ILE N A 117 ILE CA A 117 ILE C 1.0 -133.00 -85.70 PHI 101 101 A 117 ILE C A 118 PHE N A 118 PHE CA A 118 PHE C 1.0 -118.70 -65.80 PHI 102 102 A 118 PHE C A 119 MET N A 119 MET CA A 119 MET C 1.0 -148.50 -87.00 PHI 103 103 A 119 MET C A 120 GLU N A 120 GLU CA A 120 GLU C 1.0 -147.70 -83.70 PHI 104 104 A 120 GLU C A 121 LYS N A 121 LYS CA A 121 LYS C 1.0 -71.40 -31.40 PHI 105 105 A 121 LYS C A 122 GLY N A 122 GLY CA A 122 GLY C 1.0 73.50 113.50 PHI 106 106 A 122 GLY C A 123 ASP N A 123 ASP CA A 123 ASP C 1.0 -94.50 -54.50 PHI 107 107 A 123 ASP C A 124 MET N A 124 MET CA A 124 MET C 1.0 -133.80 -80.70 PHI 108 108 A 124 MET C A 125 VAL N A 125 VAL CA A 125 VAL C 1.0 -146.50 -106.50 PHI 109 109 A 125 VAL C A 126 THR N A 126 THR CA A 126 THR C 1.0 -129.80 -64.00 PHI 110 110 A 126 THR C A 127 LEU N A 127 LEU CA A 127 LEU C 1.0 -150.00 -56.20 PHI 111 111 A 127 LEU C A 128 PRO N A 128 PRO CA A 128 PRO C 1.0 -108.60 -14.80 PHI 112 112 A 128 PRO C A 129 ALA N A 129 ALA CA A 129 ALA C 1.0 -93.90 -0.10 PHI 113 113 A 130 GLY C A 131 ILE N A 131 ILE CA A 131 ILE C 1.0 -123.90 -30.10 PHI 114 114 A 131 ILE C A 132 TYR N A 132 TYR CA A 132 TYR C 1.0 -128.50 -34.70 PHI 115 115 A 134 ARG C A 135 PHE N A 135 PHE CA A 135 PHE C 1.0 -121.10 -56.90 PHI 116 116 A 135 PHE C A 136 THR N A 136 THR CA A 136 THR C 1.0 -157.30 -84.00 PHI 117 117 A 137 VAL C A 138 ASP N A 138 ASP CA A 138 ASP C 1.0 -79.90 -39.90 PHI 118 118 A 138 ASP C A 139 GLU N A 139 GLU CA A 139 GLU C 1.0 -84.90 -39.90 PHI 119 119 A 139 GLU C A 140 LYS N A 140 LYS CA A 140 LYS C 1.0 -163.30 7.20 PHI 120 120 A 140 LYS C A 141 ASN N A 141 ASN CA A 141 ASN C 1.0 -32.20 138.30 PHI 121 121 A 141 ASN C A 142 TYR N A 142 TYR CA A 142 TYR C 1.0 -172.30 -1.80 PHI 122 122 A 142 TYR C A 143 THR N A 143 THR CA A 143 THR C 1.0 -136.10 -75.80 PHI 123 123 A 143 THR C A 144 LYS N A 144 LYS CA A 144 LYS C 1.0 -130.00 -74.60 PHI 124 124 A 144 LYS C A 145 ALA N A 145 ALA CA A 145 ALA C 1.0 -140.80 -94.70 PHI 125 125 A 145 ALA C A 146 MET N A 146 MET CA A 146 MET C 1.0 -135.10 -95.10 PHI 126 126 A 146 MET C A 147 ARG N A 147 ARG CA A 147 ARG C 1.0 -144.50 -88.10 PHI 127 127 A 147 ARG C A 148 LEU N A 148 LEU CA A 148 LEU C 1.0 -143.20 -102.70 PHI 128 128 A 148 LEU C A 149 PHE N A 149 PHE CA A 149 PHE C 1.0 -163.90 -61.40 PHI 129 129 A 149 PHE C A 150 VAL N A 150 VAL CA A 150 VAL C 1.0 -130.40 -60.90 PHI 130 130 A 151 GLY C A 152 GLU N A 152 GLU CA A 152 GLU C 1.0 -88.45 -48.45 PHI 131 131 A 153 PRO C A 154 VAL N A 154 VAL CA A 154 VAL C 1.0 -118.00 -23.30 PHI 132 132 A 154 VAL C A 155 TRP N A 155 TRP CA A 155 TRP C 1.0 -118.00 -23.30 PHI 133 133 A 155 TRP C A 156 THR N A 156 THR CA A 156 THR C 1.0 -118.00 -23.30 PHI 134 134 A 156 THR C A 157 ALA N A 157 ALA CA A 157 ALA C 1.0 -146.00 -51.30 PHI 135 135 A 157 ALA C A 158 TYR N A 158 TYR CA A 158 TYR C 1.0 -162.90 -106.10 PHI 136 136 A 158 TYR C A 159 ASN N A 159 ASN CA A 159 ASN C 1.0 -90.40 -33.60 PHI 137 137 A 161 PRO C A 162 ALA N A 162 ALA CA A 162 ALA C 1.0 -98.90 -42.10 PHI 138 138 A 162 ALA C A 163 ASP N A 163 ASP CA A 163 ASP C 1.0 -106.00 -66.00 PHI 139 139 A 163 ASP C A 164 HIS N A 164 HIS CA A 164 HIS C 1.0 -86.70 -46.70 PHI 140 140 A 164 HIS C A 165 PHE N A 165 PHE CA A 165 PHE C 1.0 -85.70 -45.70 PHI 141 141 A 165 PHE C A 166 GLU N A 166 GLU CA A 166 GLU C 1.0 -84.00 -44.00 PHI 142 142 A 166 GLU C A 167 ALA N A 167 ALA CA A 167 ALA C 1.0 -113.70 -73.70 PHI 143 143 A 167 ALA C A 168 ARG N A 168 ARG CA A 168 ARG C 1.0 -126.30 -85.80 PHI 144 144 A 169 GLY C A 170 GLN N A 170 GLN CA A 170 GLN C 1.0 -82.90 -42.90 PHI 145 145 A 170 GLN C A 171 TYR N A 171 TYR CA A 171 TYR C 1.0 -81.60 -41.60 PHI 146 146 A 171 TYR C A 172 VAL N A 172 VAL CA A 172 VAL C 1.0 -81.80 -41.80 PHI 147 147 A 172 VAL C A 173 LYS N A 173 LYS CA A 173 LYS C 1.0 -85.55 -45.55 PHI 148 148 A 173 LYS C A 174 PHE N A 174 PHE CA A 174 PHE C 1.0 -85.55 -45.55 PHI 149 149 A 174 PHE C A 175 LEU N A 175 LEU CA A 175 LEU C 1.0 -82.90 -42.90 PHI 150 150 A 175 LEU C A 176 ALA N A 176 ALA CA A 176 ALA C 1.0 -87.70 -47.70 PHI 151 151 A 176 ALA C A 177 GLN N A 177 GLN CA A 177 GLN C 1.0 -108.20 -64.80 PHI 152 152 A 177 GLN C A 178 THR N A 178 THR CA A 178 THR C 1.0 -118.20 -43.90 PHI 153 153 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 GLN N 1.0 114.50 159.00 PSI 154 154 A 3 GLN N A 3 GLN CA A 3 GLN C A 4 ALA N 1.0 97.70 163.20 PSI 155 155 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 TRP N 1.0 116.00 179.40 PSI 156 156 A 5 TRP N A 5 TRP CA A 5 TRP C A 6 TYR N 1.0 135.20 189.80 PSI 157 157 A 7 MET N A 7 MET CA A 7 MET C A 8 ASP N 1.0 -47.70 12.60 PSI 158 158 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 ASP N 1.0 -33.50 33.00 PSI 159 159 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 PRO N 1.0 103.60 163.40 PSI 160 160 A 11 PRO N A 11 PRO CA A 11 PRO C A 12 GLY N 1.0 116.40 168.00 PSI 161 161 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 PRO N 1.0 98.90 156.00 PSI 162 162 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 ARG N 1.0 -43.55 13.55 PSI 163 163 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 GLN N 1.0 -55.70 6.60 PSI 164 164 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 PRO N 1.0 131.75 185.65 PSI 165 165 A 18 HIS N A 18 HIS CA A 18 HIS C A 19 ARG N 1.0 -4.20 49.70 PSI 166 166 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 PRO N 1.0 97.90 170.50 PSI 167 167 A 20 PRO N A 20 PRO CA A 20 PRO C A 21 ASP N 1.0 119.70 160.90 PSI 168 168 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 PRO N 1.0 75.00 183.20 PSI 169 169 A 22 PRO N A 22 PRO CA A 22 PRO C A 23 GLY N 1.0 122.50 177.60 PSI 170 170 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 PRO N 1.0 118.50 171.80 PSI 171 171 A 25 PRO N A 25 PRO CA A 25 PRO C A 26 VAL N 1.0 124.60 165.40 PSI 172 172 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 GLY N 1.0 110.20 165.70 PSI 173 173 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 GLU N 1.0 -57.70 -17.70 PSI 174 174 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 GLN N 1.0 -62.30 -22.30 PSI 175 175 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 LEU N 1.0 -61.60 -21.60 PSI 176 176 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ARG N 1.0 -59.40 -19.40 PSI 177 177 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 ARG N 1.0 -58.95 -18.95 PSI 178 178 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 LEU N 1.0 -46.60 -6.60 PSI 179 179 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 GLY N 1.0 -26.95 13.05 PSI 180 180 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 VAL N 1.0 -14.20 25.80 PSI 181 181 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 LEU N 1.0 108.30 148.30 PSI 182 182 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 TRP N 1.0 120.70 160.70 PSI 183 183 A 39 TRP N A 39 TRP CA A 39 TRP C A 40 LYS N 1.0 123.00 169.70 PSI 184 184 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 LEU N 1.0 107.10 147.10 PSI 185 185 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ASP N 1.0 123.60 169.50 PSI 186 186 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 ALA N 1.0 91.90 143.50 PSI 187 187 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 ASP N 1.0 -43.80 6.30 PSI 188 188 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 LYS N 1.0 -32.00 24.30 PSI 189 189 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 TYR N 1.0 -19.10 42.50 PSI 190 190 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 GLU N 1.0 -58.90 -15.50 PSI 191 191 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 ASN N 1.0 -49.30 -6.70 PSI 192 192 A 48 ASN N A 48 ASN CA A 48 ASN C A 49 ASP N 1.0 -22.50 17.50 PSI 193 193 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 PRO N 1.0 86.20 135.20 PSI 194 194 A 50 PRO N A 50 PRO CA A 50 PRO C A 51 GLU N 1.0 -50.30 -10.30 PSI 195 195 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 LEU N 1.0 -58.25 -18.25 PSI 196 196 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 GLU N 1.0 -53.90 -13.90 PSI 197 197 A 53 GLU N A 53 GLU CA A 53 GLU C A 54 LYS N 1.0 -57.50 -17.50 PSI 198 198 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 ILE N 1.0 -59.85 -19.85 PSI 199 199 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 ARG N 1.0 -65.20 -25.20 PSI 200 200 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 ARG N 1.0 -66.20 -26.20 PSI 201 201 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 GLU N 1.0 -63.30 -23.30 PSI 202 202 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 ARG N 1.0 -55.75 -15.75 PSI 203 203 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 ASN N 1.0 -18.90 23.30 PSI 204 204 A 60 ASN N A 60 ASN CA A 60 ASN C A 61 TYR N 1.0 24.20 64.20 PSI 205 205 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 SER N 1.0 112.40 167.50 PSI 206 206 A 63 TRP N A 63 TRP CA A 63 TRP C A 64 MET N 1.0 110.00 163.70 PSI 207 207 A 64 MET N A 64 MET CA A 64 MET C A 65 ASP N 1.0 116.45 156.45 PSI 208 208 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 ILE N 1.0 117.90 160.00 PSI 209 209 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 THR N 1.0 106.50 160.80 PSI 210 210 A 68 THR N A 68 THR CA A 68 THR C A 69 ILE N 1.0 90.80 167.40 PSI 211 211 A 70 CYS N A 70 CYS CA A 70 CYS C A 71 LYS N 1.0 110.00 178.70 PSI 212 212 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ASP N 1.0 -49.90 -9.50 PSI 213 213 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 LYS N 1.0 -39.50 0.50 PSI 214 214 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 LEU N 1.0 -40.80 12.10 PSI 215 215 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 PRO N 1.0 57.90 172.70 PSI 216 216 A 76 ASN N A 76 ASN CA A 76 ASN C A 77 TYR N 1.0 -17.08 97.72 PSI 217 217 A 77 TYR N A 77 TYR CA A 77 TYR C A 78 GLU N 1.0 -64.90 -24.90 PSI 218 218 A 78 GLU N A 78 GLU CA A 78 GLU C A 79 GLU N 1.0 -62.55 -22.55 PSI 219 219 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 LYS N 1.0 -56.60 -16.60 PSI 220 220 A 80 LYS N A 80 LYS CA A 80 LYS C A 81 ILE N 1.0 -63.40 -23.40 PSI 221 221 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 LYS N 1.0 -56.95 -16.95 PSI 222 222 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 MET N 1.0 -59.85 -19.85 PSI 223 223 A 83 MET N A 83 MET CA A 83 MET C A 84 PHE N 1.0 -62.80 -22.80 PSI 224 224 A 84 PHE N A 84 PHE CA A 84 PHE C A 85 TYR N 1.0 -58.80 -17.00 PSI 225 225 A 85 TYR N A 85 TYR CA A 85 TYR C A 86 GLU N 1.0 -90.50 -48.70 PSI 226 226 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 GLU N 1.0 112.10 153.90 PSI 227 227 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 HIS N 1.0 104.70 146.50 PSI 228 228 A 88 HIS N A 88 HIS CA A 88 HIS C A 89 LEU N 1.0 153.10 194.90 PSI 229 229 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 HIS N 1.0 154.10 195.90 PSI 230 230 A 90 HIS N A 90 HIS CA A 90 HIS C A 91 LEU N 1.0 133.10 174.90 PSI 231 231 A 91 LEU N A 91 LEU CA A 91 LEU C A 92 ASP N 1.0 -24.60 17.20 PSI 232 232 A 92 ASP N A 92 ASP CA A 92 ASP C A 93 ASP N 1.0 150.10 191.90 PSI 233 233 A 93 ASP N A 93 ASP CA A 93 ASP C A 94 GLU N 1.0 128.80 170.60 PSI 234 234 A 94 GLU N A 94 GLU CA A 94 GLU C A 95 ILE N 1.0 97.00 138.80 PSI 235 235 A 95 ILE N A 95 ILE CA A 95 ILE C A 96 ARG N 1.0 90.40 132.20 PSI 236 236 A 96 ARG N A 96 ARG CA A 96 ARG C A 97 TYR N 1.0 135.00 176.50 PSI 237 237 A 97 TYR N A 97 TYR CA A 97 TYR C A 98 ILE N 1.0 118.30 160.10 PSI 238 238 A 98 ILE N A 98 ILE CA A 98 ILE C A 99 LEU N 1.0 94.80 139.60 PSI 239 239 A 104 TYR N A 104 TYR CA A 104 TYR C A 105 PHE N 1.0 112.10 172.40 PSI 240 240 A 105 PHE N A 105 PHE CA A 105 PHE C A 106 ASP N 1.0 96.50 162.50 PSI 241 241 A 107 VAL N A 107 VAL CA A 107 VAL C A 108 ARG N 1.0 120.50 175.90 PSI 242 242 A 108 ARG N A 108 ARG CA A 108 ARG C A 109 ASP N 1.0 114.00 161.90 PSI 243 243 A 109 ASP N A 109 ASP CA A 109 ASP C A 110 LYS N 1.0 -202.90 -162.90 PSI 244 244 A 110 LYS N A 110 LYS CA A 110 LYS C A 111 GLU N 1.0 -43.70 -3.70 PSI 245 245 A 111 GLU N A 111 GLU CA A 111 GLU C A 112 ASP N 1.0 -29.20 10.80 PSI 246 246 A 112 ASP N A 112 ASP CA A 112 ASP C A 113 GLN N 1.0 7.00 47.00 PSI 247 247 A 113 GLN N A 113 GLN CA A 113 GLN C A 114 TRP N 1.0 119.50 181.80 PSI 248 248 A 114 TRP N A 114 TRP CA A 114 TRP C A 115 ILE N 1.0 109.10 158.70 PSI 249 249 A 115 ILE N A 115 ILE CA A 115 ILE C A 116 ARG N 1.0 106.05 146.05 PSI 250 250 A 116 ARG N A 116 ARG CA A 116 ARG C A 117 ILE N 1.0 108.05 148.05 PSI 251 251 A 117 ILE N A 117 ILE CA A 117 ILE C A 118 PHE N 1.0 95.50 144.20 PSI 252 252 A 118 PHE N A 118 PHE CA A 118 PHE C A 119 MET N 1.0 93.60 137.90 PSI 253 253 A 119 MET N A 119 MET CA A 119 MET C A 120 GLU N 1.0 117.50 173.10 PSI 254 254 A 120 GLU N A 120 GLU CA A 120 GLU C A 121 LYS N 1.0 136.10 182.60 PSI 255 255 A 121 LYS N A 121 LYS CA A 121 LYS C A 122 GLY N 1.0 109.75 149.75 PSI 256 256 A 122 GLY N A 122 GLY CA A 122 GLY C A 123 ASP N 1.0 -33.35 6.65 PSI 257 257 A 123 ASP N A 123 ASP CA A 123 ASP C A 124 MET N 1.0 120.40 171.30 PSI 258 258 A 124 MET N A 124 MET CA A 124 MET C A 125 VAL N 1.0 106.30 151.40 PSI 259 259 A 125 VAL N A 125 VAL CA A 125 VAL C A 126 THR N 1.0 120.50 161.10 PSI 260 260 A 126 THR N A 126 THR CA A 126 THR C A 127 LEU N 1.0 114.40 179.50 PSI 261 261 A 127 LEU N A 127 LEU CA A 127 LEU C A 128 PRO N 1.0 106.80 185.90 PSI 262 262 A 128 PRO N A 128 PRO CA A 128 PRO C A 129 ALA N 1.0 105.75 184.85 PSI 263 263 A 129 ALA N A 129 ALA CA A 129 ALA C A 130 GLY N 1.0 94.45 173.55 PSI 264 264 A 131 ILE N A 131 ILE CA A 131 ILE C A 132 TYR N 1.0 95.45 174.55 PSI 265 265 A 132 TYR N A 132 TYR CA A 132 TYR C A 133 HIS N 1.0 88.45 167.55 PSI 266 266 A 135 PHE N A 135 PHE CA A 135 PHE C A 136 THR N 1.0 113.40 162.30 PSI 267 267 A 136 THR N A 136 THR CA A 136 THR C A 137 VAL N 1.0 106.30 180.30 PSI 268 268 A 138 ASP N A 138 ASP CA A 138 ASP C A 139 GLU N 1.0 -54.30 -14.30 PSI 269 269 A 139 GLU N A 139 GLU CA A 139 GLU C A 140 LYS N 1.0 -51.90 -4.80 PSI 270 270 A 140 LYS N A 140 LYS CA A 140 LYS C A 141 ASN N 1.0 -46.25 40.25 PSI 271 271 A 141 ASN N A 141 ASN CA A 141 ASN C A 142 TYR N 1.0 12.75 53.25 PSI 272 272 A 142 TYR N A 142 TYR CA A 142 TYR C A 143 THR N 1.0 97.75 184.25 PSI 273 273 A 143 THR N A 143 THR CA A 143 THR C A 144 LYS N 1.0 110.65 150.65 PSI 274 274 A 144 LYS N A 144 LYS CA A 144 LYS C A 145 ALA N 1.0 103.90 149.50 PSI 275 275 A 145 ALA N A 145 ALA CA A 145 ALA C A 146 MET N 1.0 112.90 154.40 PSI 276 276 A 146 MET N A 146 MET CA A 146 MET C A 147 ARG N 1.0 109.90 149.90 PSI 277 277 A 147 ARG N A 147 ARG CA A 147 ARG C A 148 LEU N 1.0 114.10 163.20 PSI 278 278 A 148 LEU N A 148 LEU CA A 148 LEU C A 149 PHE N 1.0 114.40 171.10 PSI 279 279 A 149 PHE N A 149 PHE CA A 149 PHE C A 150 VAL N 1.0 98.60 161.20 PSI 280 280 A 150 VAL N A 150 VAL CA A 150 VAL C A 151 GLY N 1.0 75.60 150.20 PSI 281 281 A 152 GLU N A 152 GLU CA A 152 GLU C A 153 PRO N 1.0 119.20 166.80 PSI 282 282 A 154 VAL N A 154 VAL CA A 154 VAL C A 155 TRP N 1.0 -69.40 -1.30 PSI 283 283 A 155 TRP N A 155 TRP CA A 155 TRP C A 156 THR N 1.0 -69.40 -1.30 PSI 284 284 A 156 THR N A 156 THR CA A 156 THR C A 157 ALA N 1.0 -69.40 -1.30 PSI 285 285 A 157 ALA N A 157 ALA CA A 157 ALA C A 158 TYR N 1.0 102.30 170.40 PSI 286 286 A 158 TYR N A 158 TYR CA A 158 TYR C A 159 ASN N 1.0 126.60 178.20 PSI 287 287 A 159 ASN N A 159 ASN CA A 159 ASN C A 160 ARG N 1.0 137.60 189.20 PSI 288 288 A 162 ALA N A 162 ALA CA A 162 ALA C A 163 ASP N 1.0 -55.00 -15.00 PSI 289 289 A 163 ASP N A 163 ASP CA A 163 ASP C A 164 HIS N 1.0 -25.40 14.60 PSI 290 290 A 164 HIS N A 164 HIS CA A 164 HIS C A 165 PHE N 1.0 -37.90 2.10 PSI 291 291 A 165 PHE N A 165 PHE CA A 165 PHE C A 166 GLU N 1.0 127.40 167.40 PSI 292 292 A 166 GLU N A 166 GLU CA A 166 GLU C A 167 ALA N 1.0 -88.00 -48.00 PSI 293 293 A 167 ALA N A 167 ALA CA A 167 ALA C A 168 ARG N 1.0 -87.00 -47.00 PSI 294 294 A 168 ARG N A 168 ARG CA A 168 ARG C A 169 GLY N 1.0 -50.30 12.00 PSI 295 295 A 170 GLN N A 170 GLN CA A 170 GLN C A 171 TYR N 1.0 -62.95 -22.95 PSI 296 296 A 171 TYR N A 171 TYR CA A 171 TYR C A 172 VAL N 1.0 -65.95 -25.95 PSI 297 297 A 172 VAL N A 172 VAL CA A 172 VAL C A 173 LYS N 1.0 -61.85 -21.85 PSI 298 298 A 173 LYS N A 173 LYS CA A 173 LYS C A 174 PHE N 1.0 -60.60 -20.60 PSI 299 299 A 174 PHE N A 174 PHE CA A 174 PHE C A 175 LEU N 1.0 -61.30 -21.30 PSI 300 300 A 175 LEU N A 175 LEU CA A 175 LEU C A 176 ALA N 1.0 -55.40 -15.00 PSI 301 301 A 176 ALA N A 176 ALA CA A 176 ALA C A 177 GLN N 1.0 -41.80 1.60 PSI 302 302 A 177 GLN N A 177 GLN CA A 177 GLN C A 178 THR N 1.0 -32.30 13.50 PSI 303 303 A 178 THR N A 178 THR CA A 178 THR C A 179 ALA N 1.0 111.00 164.70 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 VAL N A 2 VAL H 1.0 . . . 2 2 A 3 GLN N A 3 GLN H 1.0 . . . 3 3 A 4 ALA N A 4 ALA H 1.0 . . . 4 4 A 5 TRP N A 5 TRP H 1.0 . . . 5 5 A 6 TYR N A 6 TYR H 1.0 . . . 6 6 A 7 MET N A 7 MET H 1.0 . . . 7 7 A 8 ASP N A 8 ASP H 1.0 . . . 8 8 A 9 ASP N A 9 ASP H 1.0 . . . 9 9 A 10 ALA N A 10 ALA H 1.0 . . . 10 10 A 12 GLY N A 12 GLY H 1.0 . . . 11 11 A 13 ASP N A 13 ASP H 1.0 . . . 12 12 A 15 ARG N A 15 ARG H 1.0 . . . 13 13 A 16 GLN N A 16 GLN H 1.0 . . . 14 14 A 18 HIS N A 18 HIS H 1.0 . . . 15 15 A 19 ARG N A 19 ARG H 1.0 . . . 16 16 A 21 ASP N A 21 ASP H 1.0 . . . 17 17 A 23 GLY N A 23 GLY H 1.0 . . . 18 18 A 24 ARG N A 24 ARG H 1.0 . . . 19 19 A 26 VAL N A 26 VAL H 1.0 . . . 20 20 A 27 GLY N A 27 GLY H 1.0 . . . 21 21 A 28 LEU N A 28 LEU H 1.0 . . . 22 22 A 29 GLU N A 29 GLU H 1.0 . . . 23 23 A 30 GLN N A 30 GLN H 1.0 . . . 24 24 A 31 LEU N A 31 LEU H 1.0 . . . 25 25 A 32 ARG N A 32 ARG H 1.0 . . . 26 26 A 33 ARG N A 33 ARG H 1.0 . . . 27 27 A 34 LEU N A 34 LEU H 1.0 . . . 28 28 A 35 GLY N A 35 GLY H 1.0 . . . 29 29 A 36 VAL N A 36 VAL H 1.0 . . . 30 30 A 37 LEU N A 37 LEU H 1.0 . . . 31 31 A 38 TYR N A 38 TYR H 1.0 . . . 32 32 A 39 TRP N A 39 TRP H 1.0 . . . 33 33 A 40 LYS N A 40 LYS H 1.0 . . . 34 34 A 41 LEU N A 41 LEU H 1.0 . . . 35 35 A 42 ASP N A 42 ASP H 1.0 . . . 36 36 A 43 ALA N A 43 ALA H 1.0 . . . 37 37 A 45 LYS N A 45 LYS H 1.0 . . . 38 38 A 46 TYR N A 46 TYR H 1.0 . . . 39 39 A 47 GLU N A 47 GLU H 1.0 . . . 40 40 A 48 ASN N A 48 ASN H 1.0 . . . 41 41 A 49 ASP N A 49 ASP H 1.0 . . . 42 42 A 51 GLU N A 51 GLU H 1.0 . . . 43 43 A 52 LEU N A 52 LEU H 1.0 . . . 44 44 A 53 GLU N A 53 GLU H 1.0 . . . 45 45 A 54 LYS N A 54 LYS H 1.0 . . . 46 46 A 55 ILE N A 55 ILE H 1.0 . . . 47 47 A 56 ARG N A 56 ARG H 1.0 . . . 48 48 A 57 ARG N A 57 ARG H 1.0 . . . 49 49 A 58 GLU N A 58 GLU H 1.0 . . . 50 50 A 59 ARG N A 59 ARG H 1.0 . . . 51 51 A 60 ASN N A 60 ASN H 1.0 . . . 52 52 A 61 TYR N A 61 TYR H 1.0 . . . 53 53 A 62 SER N A 62 SER H 1.0 . . . 54 54 A 63 TRP N A 63 TRP H 1.0 . . . 55 55 A 64 MET N A 64 MET H 1.0 . . . 56 56 A 65 ASP N A 65 ASP H 1.0 . . . 57 57 A 66 ILE N A 66 ILE H 1.0 . . . 58 58 A 67 ILE N A 67 ILE H 1.0 . . . 59 59 A 68 THR N A 68 THR H 1.0 . . . 60 60 A 69 ILE N A 69 ILE H 1.0 . . . 61 61 A 70 CYS N A 70 CYS H 1.0 . . . 62 62 A 71 LYS N A 71 LYS H 1.0 . . . 63 63 A 72 ASP N A 72 ASP H 1.0 . . . 64 64 A 73 LYS N A 73 LYS H 1.0 . . . 65 65 A 74 LEU N A 74 LEU H 1.0 . . . 66 66 A 76 ASN N A 76 ASN H 1.0 . . . 67 67 A 77 TYR N A 77 TYR H 1.0 . . . 68 68 A 78 GLU N A 78 GLU H 1.0 . . . 69 69 A 79 GLU N A 79 GLU H 1.0 . . . 70 70 A 80 LYS N A 80 LYS H 1.0 . . . 71 71 A 81 ILE N A 81 ILE H 1.0 . . . 72 72 A 83 MET N A 83 MET H 1.0 . . . 73 73 A 95 ILE N A 95 ILE H 1.0 . . . 74 74 A 96 ARG N A 96 ARG H 1.0 . . . 75 75 A 99 LEU N A 99 LEU H 1.0 . . . 76 76 A 100 ASP N A 100 ASP H 1.0 . . . 77 77 A 101 GLY N A 101 GLY H 1.0 . . . 78 78 A 102 SER N A 102 SER H 1.0 . . . 79 79 A 103 GLY N A 103 GLY H 1.0 . . . 80 80 A 104 TYR N A 104 TYR H 1.0 . . . 81 81 A 105 PHE N A 105 PHE H 1.0 . . . 82 82 A 107 VAL N A 107 VAL H 1.0 . . . 83 83 A 108 ARG N A 108 ARG H 1.0 . . . 84 84 A 109 ASP N A 109 ASP H 1.0 . . . 85 85 A 110 LYS N A 110 LYS H 1.0 . . . 86 86 A 111 GLU N A 111 GLU H 1.0 . . . 87 87 A 112 ASP N A 112 ASP H 1.0 . . . 88 88 A 114 TRP N A 114 TRP H 1.0 . . . 89 89 A 115 ILE N A 115 ILE H 1.0 . . . 90 90 A 116 ARG N A 116 ARG H 1.0 . . . 91 91 A 117 ILE N A 117 ILE H 1.0 . . . 92 92 A 118 PHE N A 118 PHE H 1.0 . . . 93 93 A 119 MET N A 119 MET H 1.0 . . . 94 94 A 120 GLU N A 120 GLU H 1.0 . . . 95 95 A 121 LYS N A 121 LYS H 1.0 . . . 96 96 A 122 GLY N A 122 GLY H 1.0 . . . 97 97 A 123 ASP N A 123 ASP H 1.0 . . . 98 98 A 124 MET N A 124 MET H 1.0 . . . 99 99 A 125 VAL N A 125 VAL H 1.0 . . . 100 100 A 126 THR N A 126 THR H 1.0 . . . 101 101 A 130 GLY N A 130 GLY H 1.0 . . . 102 102 A 136 THR N A 136 THR H 1.0 . . . 103 103 A 137 VAL N A 137 VAL H 1.0 . . . 104 104 A 138 ASP N A 138 ASP H 1.0 . . . 105 105 A 139 GLU N A 139 GLU H 1.0 . . . 106 106 A 141 ASN N A 141 ASN H 1.0 . . . 107 107 A 142 TYR N A 142 TYR H 1.0 . . . 108 108 A 143 THR N A 143 THR H 1.0 . . . 109 109 A 144 LYS N A 144 LYS H 1.0 . . . 110 110 A 145 ALA N A 145 ALA H 1.0 . . . 111 111 A 146 MET N A 146 MET H 1.0 . . . 112 112 A 147 ARG N A 147 ARG H 1.0 . . . 113 113 A 148 LEU N A 148 LEU H 1.0 . . . 114 114 A 149 PHE N A 149 PHE H 1.0 . . . 115 115 A 150 VAL N A 150 VAL H 1.0 . . . 116 116 A 151 GLY N A 151 GLY H 1.0 . . . 117 117 A 152 GLU N A 152 GLU H 1.0 . . . 118 118 A 157 ALA N A 157 ALA H 1.0 . . . 119 119 A 162 ALA N A 162 ALA H 1.0 . . . 120 120 A 164 HIS N A 164 HIS H 1.0 . . . 121 121 A 166 GLU N A 166 GLU H 1.0 . . . 122 122 A 167 ALA N A 167 ALA H 1.0 . . . 123 123 A 168 ARG N A 168 ARG H 1.0 . . . 124 124 A 169 GLY N A 169 GLY H 1.0 . . . stop_ save_