data_nef_c17968_2ljy save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2ljx BMRB 17967 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 32 CYS SG 3 1 ZN ZN 2 68 CYS SG 3 2 ZN ZN 1 65 CYS SG 3 1 ZN ZN 1 68 CYS SG 3 1 ZN ZN 2 32 CYS SG 3 2 ZN ZN 2 65 CYS SG 3 2 ZN ZN 2 35 CYS SG 3 2 ZN ZN 1 35 CYS SG 3 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -1 GLY start . false 2 A 0 ALA middle . . 3 A 1 MET middle . . 4 A 2 PHE middle . . 5 A 3 GLN middle . . 6 A 4 ASP middle . . 7 A 5 PRO middle . true 8 A 6 GLN middle . . 9 A 7 GLU middle . . 10 A 8 ARG middle . . 11 A 9 PRO middle . false 12 A 10 ARG middle . . 13 A 11 LYS middle . . 14 A 12 LEU middle . . 15 A 13 PRO middle . false 16 A 14 GLN middle . . 17 A 15 LEU middle . . 18 A 16 CYS middle . . 19 A 17 THR middle . . 20 A 18 GLU middle . . 21 A 19 LEU middle . . 22 A 20 GLN middle . . 23 A 21 THR middle . . 24 A 22 THR middle . . 25 A 23 ILE middle . . 26 A 24 HIS middle . . 27 A 25 ASP middle . . 28 A 26 ILE middle . . 29 A 27 ILE middle . . 30 A 28 LEU middle . . 31 A 29 GLU middle . . 32 A 30 CYS middle -HG . 33 A 31 VAL middle . . 34 A 32 TYR middle . . 35 A 33 CYS middle -HG . 36 A 34 LYS middle . . 37 A 35 GLN middle . . 38 A 36 GLN middle . . 39 A 37 LEU middle . . 40 A 38 LEU middle . . 41 A 39 ARG middle . . 42 A 40 ARG middle . . 43 A 41 GLU middle . . 44 A 42 VAL middle . . 45 A 43 TYR middle . . 46 A 44 ASP middle . . 47 A 45 PHE middle . . 48 A 46 ALA middle . . 49 A 47 PHE middle . . 50 A 48 ARG middle . . 51 A 49 ASP middle . . 52 A 50 LEU middle . . 53 A 51 CYS middle . . 54 A 52 ILE middle . . 55 A 53 VAL middle . . 56 A 54 TYR middle . . 57 A 55 ARG middle . . 58 A 56 ASP middle . . 59 A 57 GLY middle . false 60 A 58 ASN middle . . 61 A 59 PRO middle . false 62 A 60 TYR middle . . 63 A 61 ALA middle . . 64 A 62 VAL middle . . 65 A 63 CYS middle -HG . 66 A 64 ASP middle . . 67 A 65 LYS middle . . 68 A 66 CYS middle -HG . 69 A 67 LEU middle . . 70 A 68 LYS middle . . 71 A 69 PHE middle . . 72 A 70 TYR middle . . 73 A 71 SER middle . . 74 A 72 LYS middle . . 75 A 73 ILE middle . . 76 A 74 SER middle . . 77 A 75 GLU middle . . 78 A 76 TYR middle . . 79 A 77 ARG middle . . 80 A 78 HIS middle . . 81 A 79 TYR middle . . 82 A 80 SER middle . . 83 A 81 TYR middle . . 84 A 82 SER end . . 85 B -1 GLY start . false 86 B 0 ALA middle . . 87 B 1 MET middle . . 88 B 2 PHE middle . . 89 B 3 GLN middle . . 90 B 4 ASP middle . . 91 B 5 PRO middle . true 92 B 6 GLN middle . . 93 B 7 GLU middle . . 94 B 8 ARG middle . . 95 B 9 PRO middle . false 96 B 10 ARG middle . . 97 B 11 LYS middle . . 98 B 12 LEU middle . . 99 B 13 PRO middle . false 100 B 14 GLN middle . . 101 B 15 LEU middle . . 102 B 16 CYS middle . . 103 B 17 THR middle . . 104 B 18 GLU middle . . 105 B 19 LEU middle . . 106 B 20 GLN middle . . 107 B 21 THR middle . . 108 B 22 THR middle . . 109 B 23 ILE middle . . 110 B 24 HIS middle . . 111 B 25 ASP middle . . 112 B 26 ILE middle . . 113 B 27 ILE middle . . 114 B 28 LEU middle . . 115 B 29 GLU middle . . 116 B 30 CYS middle -HG . 117 B 31 VAL middle . . 118 B 32 TYR middle . . 119 B 33 CYS middle -HG . 120 B 34 LYS middle . . 121 B 35 GLN middle . . 122 B 36 GLN middle . . 123 B 37 LEU middle . . 124 B 38 LEU middle . . 125 B 39 ARG middle . . 126 B 40 ARG middle . . 127 B 41 GLU middle . . 128 B 42 VAL middle . . 129 B 43 TYR middle . . 130 B 44 ASP middle . . 131 B 45 PHE middle . . 132 B 46 ALA middle . . 133 B 47 PHE middle . . 134 B 48 ARG middle . . 135 B 49 ASP middle . . 136 B 50 LEU middle . . 137 B 51 CYS middle . . 138 B 52 ILE middle . . 139 B 53 VAL middle . . 140 B 54 TYR middle . . 141 B 55 ARG middle . . 142 B 56 ASP middle . . 143 B 57 GLY middle . false 144 B 58 ASN middle . . 145 B 59 PRO middle . false 146 B 60 TYR middle . . 147 B 61 ALA middle . . 148 B 62 VAL middle . . 149 B 63 CYS middle -HG . 150 B 64 ASP middle . . 151 B 65 LYS middle . . 152 B 66 CYS middle -HG . 153 B 67 LEU middle . . 154 B 68 LYS middle . . 155 B 69 PHE middle . . 156 B 70 TYR middle . . 157 B 71 SER middle . . 158 B 72 LYS middle . . 159 B 73 ILE middle . . 160 B 74 SER middle . . 161 B 75 GLU middle . . 162 B 76 TYR middle . . 163 B 77 ARG middle . . 164 B 78 HIS middle . . 165 B 79 TYR middle . . 166 B 80 SER middle . . 167 B 81 TYR middle . . 168 B 82 SER end . . 169 C 1 ZN . . . 170 C 2 ZN . . . stop_ save_ save_E6Ndimer _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode E6Ndimer 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 H H 1 8.35 0.02 A 1 MET HA H 1 4.29 0.02 A 1 MET HBy H 1 1.84 0.02 A 1 MET HBx H 1 1.79 0.02 A 1 MET HE% H 1 2.00 0.02 A 1 MET HGy H 1 2.38 0.02 A 1 MET HGx H 1 2.27 0.02 A 1 MET CA C 13 56.13 0.30 A 1 MET CB C 13 33.43 0.30 A 1 MET CE C 13 17.03 0.30 A 1 MET CG C 13 32.03 0.30 A 1 MET N N 15 122.01 0.30 A 2 PHE H H 1 8.37 0.02 A 2 PHE HA H 1 4.62 0.02 A 2 PHE HBy H 1 3.03 0.02 A 2 PHE HBx H 1 2.95 0.02 A 2 PHE HD1 H 1 7.24 0.02 A 2 PHE HE1 H 1 7.30 0.02 A 2 PHE HZ H 1 7.18 0.02 A 2 PHE CA C 13 57.33 0.30 A 2 PHE CB C 13 39.43 0.30 A 2 PHE N N 15 122.31 0.30 A 3 GLN H H 1 8.25 0.02 A 3 GLN HA H 1 4.19 0.02 A 3 GLN HBy H 1 1.98 0.02 A 3 GLN HBx H 1 1.86 0.02 A 3 GLN HE21 H 1 7.49 0.02 A 3 GLN HE22 H 1 6.80 0.02 A 3 GLN HG2 H 1 2.23 0.02 A 3 GLN CA C 13 56.03 0.30 A 3 GLN CB C 13 29.93 0.30 A 3 GLN CG C 13 33.93 0.30 A 3 GLN N N 15 123.51 0.30 A 3 GLN NE2 N 15 114.51 0.30 A 4 ASP H H 1 8.41 0.02 A 4 ASP HA H 1 4.84 0.02 A 4 ASP HBy H 1 2.75 0.02 A 4 ASP HBx H 1 2.48 0.02 A 4 ASP CA C 13 52.03 0.30 A 4 ASP CB C 13 41.73 0.30 A 4 ASP N N 15 125.01 0.30 A 5 PRO HA H 1 4.12 0.02 A 5 PRO HBy H 1 2.21 0.02 A 5 PRO HBx H 1 1.88 0.02 A 5 PRO HDy H 1 3.92 0.02 A 5 PRO HDx H 1 3.79 0.02 A 5 PRO HGy H 1 2.00 0.02 A 5 PRO HGx H 1 1.96 0.02 A 5 PRO CA C 13 64.13 0.30 A 5 PRO CB C 13 32.33 0.30 A 5 PRO CD C 13 51.13 0.30 A 5 PRO CG C 13 27.43 0.30 A 6 GLN H H 1 8.43 0.02 A 6 GLN HA H 1 4.15 0.02 A 6 GLN HBy H 1 2.05 0.02 A 6 GLN HBx H 1 1.99 0.02 A 6 GLN HE21 H 1 7.61 0.02 A 6 GLN HE22 H 1 6.82 0.02 A 6 GLN HG2 H 1 2.31 0.02 A 6 GLN CA C 13 56.63 0.30 A 6 GLN CB C 13 29.33 0.30 A 6 GLN CG C 13 34.33 0.30 A 6 GLN N N 15 119.71 0.30 A 6 GLN NE2 N 15 114.71 0.30 A 7 GLU H H 1 7.94 0.02 A 7 GLU HA H 1 4.18 0.02 A 7 GLU HBy H 1 2.02 0.02 A 7 GLU HBx H 1 1.77 0.02 A 7 GLU HGy H 1 2.17 0.02 A 7 GLU HGx H 1 2.11 0.02 A 7 GLU CA C 13 56.13 0.30 A 7 GLU CB C 13 30.53 0.30 A 7 GLU CG C 13 36.23 0.30 A 7 GLU N N 15 122.11 0.30 A 8 ARG H H 1 7.67 0.02 A 8 ARG HA H 1 4.41 0.02 A 8 ARG HBy H 1 1.48 0.02 A 8 ARG HBx H 1 1.20 0.02 A 8 ARG HDy H 1 2.40 0.02 A 8 ARG HDx H 1 2.29 0.02 A 8 ARG HG2 H 1 1.25 0.02 A 8 ARG CA C 13 54.13 0.30 A 8 ARG CB C 13 29.33 0.30 A 8 ARG CD C 13 43.13 0.30 A 8 ARG CG C 13 26.23 0.30 A 8 ARG N N 15 123.41 0.30 A 9 PRO HA H 1 4.34 0.02 A 9 PRO HBy H 1 2.15 0.02 A 9 PRO HBx H 1 1.73 0.02 A 9 PRO HDy H 1 3.77 0.02 A 9 PRO HDx H 1 3.45 0.02 A 9 PRO HG2 H 1 1.91 0.02 A 9 PRO CA C 13 63.53 0.30 A 9 PRO CB C 13 32.63 0.30 A 9 PRO CD C 13 50.63 0.30 A 9 PRO CG C 13 28.13 0.30 A 10 ARG H H 1 8.70 0.02 A 10 ARG HA H 1 4.66 0.02 A 10 ARG HBy H 1 2.06 0.02 A 10 ARG HBx H 1 1.87 0.02 A 10 ARG HD2 H 1 3.25 0.02 A 10 ARG HE H 1 7.11 0.02 A 10 ARG HGy H 1 1.86 0.02 A 10 ARG HGx H 1 1.76 0.02 A 10 ARG CA C 13 56.83 0.30 A 10 ARG CB C 13 32.53 0.30 A 10 ARG CD C 13 43.53 0.30 A 10 ARG CG C 13 28.03 0.30 A 10 ARG N N 15 123.81 0.30 A 11 LYS H H 1 7.81 0.02 A 11 LYS HA H 1 5.05 0.02 A 11 LYS HBy H 1 2.09 0.02 A 11 LYS HBx H 1 2.03 0.02 A 11 LYS HD2 H 1 1.77 0.02 A 11 LYS HEy H 1 2.91 0.02 A 11 LYS HEx H 1 2.80 0.02 A 11 LYS HGy H 1 1.56 0.02 A 11 LYS HGx H 1 1.34 0.02 A 11 LYS CA C 13 53.23 0.30 A 11 LYS CB C 13 35.63 0.30 A 11 LYS CD C 13 28.33 0.30 A 11 LYS CE C 13 43.13 0.30 A 11 LYS CG C 13 25.03 0.30 A 11 LYS N N 15 118.31 0.30 A 12 LEU H H 1 10.21 0.02 A 12 LEU HA H 1 4.15 0.02 A 12 LEU HBy H 1 1.86 0.02 A 12 LEU HBx H 1 1.78 0.02 A 12 LEU HD1% H 1 0.93 0.02 A 12 LEU HD2% H 1 0.84 0.02 A 12 LEU HG H 1 1.60 0.02 A 12 LEU CA C 13 59.63 0.30 A 12 LEU CB C 13 40.53 0.30 A 12 LEU CD1 C 13 26.63 0.30 A 12 LEU CD2 C 13 26.63 0.30 A 12 LEU CG C 13 28.43 0.30 A 12 LEU N N 15 124.81 0.30 A 13 PRO HA H 1 4.17 0.02 A 13 PRO HBy H 1 2.33 0.02 A 13 PRO HBx H 1 1.84 0.02 A 13 PRO HDy H 1 3.76 0.02 A 13 PRO HDx H 1 3.67 0.02 A 13 PRO HG2 H 1 2.29 0.02 A 13 PRO CA C 13 67.33 0.30 A 13 PRO CB C 13 30.53 0.30 A 13 PRO CD C 13 50.63 0.30 A 13 PRO CG C 13 29.23 0.30 A 14 GLN H H 1 7.10 0.02 A 14 GLN HA H 1 4.16 0.02 A 14 GLN HBy H 1 2.32 0.02 A 14 GLN HBx H 1 2.06 0.02 A 14 GLN HE21 H 1 7.82 0.02 A 14 GLN HE22 H 1 6.94 0.02 A 14 GLN HGy H 1 2.54 0.02 A 14 GLN HGx H 1 2.48 0.02 A 14 GLN CA C 13 59.13 0.30 A 14 GLN CB C 13 28.63 0.30 A 14 GLN CG C 13 34.53 0.30 A 14 GLN N N 15 117.71 0.30 A 14 GLN NE2 N 15 115.11 0.30 A 15 LEU H H 1 8.02 0.02 A 15 LEU HA H 1 4.00 0.02 A 15 LEU HBy H 1 2.05 0.02 A 15 LEU HBx H 1 1.26 0.02 A 15 LEU HD1% H 1 0.90 0.02 A 15 LEU HD2% H 1 0.89 0.02 A 15 LEU HG H 1 0.65 0.02 A 15 LEU CA C 13 58.63 0.30 A 15 LEU CB C 13 42.03 0.30 A 15 LEU CD1 C 13 23.33 0.30 A 15 LEU CD2 C 13 23.33 0.30 A 15 LEU CG C 13 26.63 0.30 A 15 LEU N N 15 124.61 0.30 A 16 CYS H H 1 8.41 0.02 A 16 CYS HA H 1 3.73 0.02 A 16 CYS HBy H 1 3.11 0.02 A 16 CYS HBx H 1 2.67 0.02 A 16 CYS CA C 13 64.83 0.30 A 16 CYS CB C 13 26.23 0.30 A 16 CYS N N 15 117.21 0.30 A 17 THR H H 1 7.67 0.02 A 17 THR HA H 1 3.99 0.02 A 17 THR HB H 1 4.25 0.02 A 17 THR HG2% H 1 1.25 0.02 A 17 THR CA C 13 66.83 0.30 A 17 THR CB C 13 68.83 0.30 A 17 THR CG2 C 13 22.23 0.30 A 17 THR N N 15 117.71 0.30 A 18 GLU H H 1 7.98 0.02 A 18 GLU HA H 1 4.06 0.02 A 18 GLU HBy H 1 2.23 0.02 A 18 GLU HBx H 1 2.14 0.02 A 18 GLU HGy H 1 2.37 0.02 A 18 GLU HGx H 1 2.29 0.02 A 18 GLU CA C 13 59.83 0.30 A 18 GLU CB C 13 29.63 0.30 A 18 GLU CG C 13 36.43 0.30 A 18 GLU N N 15 125.41 0.30 A 19 LEU H H 1 7.99 0.02 A 19 LEU HA H 1 4.29 0.02 A 19 LEU HBy H 1 1.62 0.02 A 19 LEU HBx H 1 1.57 0.02 A 19 LEU HD1% H 1 0.85 0.02 A 19 LEU HD2% H 1 0.79 0.02 A 19 LEU HG H 1 1.78 0.02 A 19 LEU CA C 13 54.93 0.30 A 19 LEU CB C 13 42.23 0.30 A 19 LEU CD1 C 13 22.33 0.30 A 19 LEU CD2 C 13 25.53 0.30 A 19 LEU CG C 13 27.03 0.30 A 19 LEU N N 15 118.81 0.30 A 20 GLN H H 1 7.85 0.02 A 20 GLN HA H 1 3.94 0.02 A 20 GLN HBy H 1 2.27 0.02 A 20 GLN HBx H 1 2.16 0.02 A 20 GLN HE21 H 1 7.60 0.02 A 20 GLN HE22 H 1 6.81 0.02 A 20 GLN HG2 H 1 2.28 0.02 A 20 GLN CA C 13 56.63 0.30 A 20 GLN CB C 13 26.13 0.30 A 20 GLN CG C 13 34.43 0.30 A 20 GLN N N 15 118.31 0.30 A 20 GLN NE2 N 15 114.71 0.30 A 21 THR H H 1 8.21 0.02 A 21 THR HA H 1 4.92 0.02 A 21 THR HB H 1 3.86 0.02 A 21 THR HG2% H 1 1.10 0.02 A 21 THR CA C 13 58.73 0.30 A 21 THR CB C 13 70.33 0.30 A 21 THR CG2 C 13 19.53 0.30 A 21 THR N N 15 115.81 0.30 A 22 THR H H 1 8.62 0.02 A 22 THR HA H 1 4.86 0.02 A 22 THR HB H 1 4.45 0.02 A 22 THR HG2% H 1 1.26 0.02 A 22 THR CA C 13 59.83 0.30 A 22 THR CB C 13 74.03 0.30 A 22 THR CG2 C 13 21.03 0.30 A 22 THR N N 15 112.81 0.30 A 23 ILE H H 1 9.02 0.02 A 23 ILE HA H 1 3.66 0.02 A 23 ILE HB H 1 1.36 0.02 A 23 ILE HD1% H 1 0.55 0.02 A 23 ILE HG1y H 1 1.05 0.02 A 23 ILE HG1x H 1 1.03 0.02 A 23 ILE HG2% H 1 0.31 0.02 A 23 ILE CA C 13 62.73 0.30 A 23 ILE CB C 13 38.23 0.30 A 23 ILE CD1 C 13 15.03 0.30 A 23 ILE CG1 C 13 28.93 0.30 A 23 ILE CG2 C 13 16.23 0.30 A 23 ILE N N 15 124.31 0.30 A 24 HIS H H 1 6.87 0.02 A 24 HIS HA H 1 4.38 0.02 A 24 HIS HBy H 1 3.19 0.02 A 24 HIS HBx H 1 2.64 0.02 A 24 HIS HD2 H 1 7.14 0.02 A 24 HIS HE1 H 1 7.68 0.02 A 24 HIS CA C 13 56.43 0.30 A 24 HIS CB C 13 30.73 0.30 A 24 HIS N N 15 119.21 0.30 A 25 ASP H H 1 7.22 0.02 A 25 ASP HA H 1 4.75 0.02 A 25 ASP HBy H 1 2.63 0.02 A 25 ASP HBx H 1 2.45 0.02 A 25 ASP CA C 13 54.43 0.30 A 25 ASP CB C 13 44.33 0.30 A 25 ASP N N 15 116.51 0.30 A 26 ILE H H 1 7.69 0.02 A 26 ILE HA H 1 3.90 0.02 A 26 ILE HB H 1 1.80 0.02 A 26 ILE HD1% H 1 0.63 0.02 A 26 ILE HG1y H 1 1.47 0.02 A 26 ILE HG1x H 1 0.84 0.02 A 26 ILE HG2% H 1 0.65 0.02 A 26 ILE CA C 13 63.13 0.30 A 26 ILE CB C 13 37.93 0.30 A 26 ILE CD1 C 13 14.93 0.30 A 26 ILE CG1 C 13 29.63 0.30 A 26 ILE CG2 C 13 16.33 0.30 A 26 ILE N N 15 123.31 0.30 A 27 ILE H H 1 8.23 0.02 A 27 ILE HA H 1 4.36 0.02 A 27 ILE HB H 1 1.74 0.02 A 27 ILE HD1% H 1 0.70 0.02 A 27 ILE HG1y H 1 1.48 0.02 A 27 ILE HG1x H 1 1.18 0.02 A 27 ILE HG2% H 1 0.66 0.02 A 27 ILE CA C 13 58.83 0.30 A 27 ILE CB C 13 37.73 0.30 A 27 ILE CD1 C 13 11.43 0.30 A 27 ILE CG1 C 13 26.53 0.30 A 27 ILE CG2 C 13 17.03 0.30 A 27 ILE N N 15 130.91 0.30 A 28 LEU H H 1 8.45 0.02 A 28 LEU HA H 1 4.65 0.02 A 28 LEU HBy H 1 1.09 0.02 A 28 LEU HBx H 1 1.06 0.02 A 28 LEU HD1% H 1 0.49 0.02 A 28 LEU HD2% H 1 0.44 0.02 A 28 LEU HG H 1 1.19 0.02 A 28 LEU CA C 13 52.53 0.30 A 28 LEU CB C 13 48.33 0.30 A 28 LEU CD1 C 13 23.03 0.30 A 28 LEU CD2 C 13 27.23 0.30 A 28 LEU CG C 13 26.93 0.30 A 28 LEU N N 15 129.31 0.30 A 29 GLU H H 1 8.82 0.02 A 29 GLU HA H 1 4.66 0.02 A 29 GLU HBy H 1 1.94 0.02 A 29 GLU HBx H 1 1.56 0.02 A 29 GLU HG2 H 1 1.93 0.02 A 29 GLU CA C 13 53.73 0.30 A 29 GLU CB C 13 32.93 0.30 A 29 GLU CG C 13 36.53 0.30 A 29 GLU N N 15 121.81 0.30 A 30 CYS H H 1 8.24 0.02 A 30 CYS HA H 1 4.03 0.02 A 30 CYS HBy H 1 3.44 0.02 A 30 CYS HBx H 1 2.62 0.02 A 30 CYS CA C 13 58.23 0.30 A 30 CYS CB C 13 31.83 0.30 A 30 CYS N N 15 125.51 0.30 A 31 VAL H H 1 8.88 0.02 A 31 VAL HA H 1 3.08 0.02 A 31 VAL HB H 1 1.78 0.02 A 31 VAL HG1% H 1 0.28 0.02 A 31 VAL HG2% H 1 0.05 0.02 A 31 VAL CA C 13 64.33 0.30 A 31 VAL CB C 13 31.63 0.30 A 31 VAL CG1 C 13 21.93 0.30 A 31 VAL CG2 C 13 18.93 0.30 A 31 VAL N N 15 132.31 0.30 A 32 TYR H H 1 8.62 0.02 A 32 TYR HA H 1 4.45 0.02 A 32 TYR HBy H 1 3.68 0.02 A 32 TYR HBx H 1 3.10 0.02 A 32 TYR HD2 H 1 6.99 0.02 A 32 TYR HE2 H 1 6.52 0.02 A 32 TYR CA C 13 61.03 0.30 A 32 TYR CB C 13 40.03 0.30 A 32 TYR N N 15 124.21 0.30 A 33 CYS H H 1 8.09 0.02 A 33 CYS HA H 1 4.80 0.02 A 33 CYS HBy H 1 3.23 0.02 A 33 CYS HBx H 1 2.64 0.02 A 33 CYS CA C 13 59.33 0.30 A 33 CYS CB C 13 32.23 0.30 A 33 CYS N N 15 119.81 0.30 A 34 LYS H H 1 7.87 0.02 A 34 LYS HA H 1 4.16 0.02 A 34 LYS HB3 H 1 2.05 0.02 A 34 LYS HDy H 1 1.59 0.02 A 34 LYS HDx H 1 1.48 0.02 A 34 LYS HE2 H 1 2.74 0.02 A 34 LYS HGy H 1 1.27 0.02 A 34 LYS HGx H 1 1.19 0.02 A 34 LYS CA C 13 57.83 0.30 A 34 LYS CB C 13 29.23 0.30 A 34 LYS CD C 13 28.33 0.30 A 34 LYS CE C 13 42.33 0.30 A 34 LYS CG C 13 25.03 0.30 A 34 LYS N N 15 119.81 0.30 A 35 GLN H H 1 8.25 0.02 A 35 GLN HA H 1 4.37 0.02 A 35 GLN HBy H 1 2.18 0.02 A 35 GLN HBx H 1 2.02 0.02 A 35 GLN HE21 H 1 7.62 0.02 A 35 GLN HE22 H 1 6.89 0.02 A 35 GLN HG2 H 1 2.50 0.02 A 35 GLN CA C 13 55.43 0.30 A 35 GLN CB C 13 29.73 0.30 A 35 GLN CG C 13 35.03 0.30 A 35 GLN N N 15 120.61 0.30 A 35 GLN NE2 N 15 116.41 0.30 A 36 GLN H H 1 8.63 0.02 A 36 GLN HA H 1 4.36 0.02 A 36 GLN HBy H 1 1.99 0.02 A 36 GLN HBx H 1 1.80 0.02 A 36 GLN HE21 H 1 7.71 0.02 A 36 GLN HE22 H 1 6.86 0.02 A 36 GLN HGy H 1 2.34 0.02 A 36 GLN HGx H 1 2.24 0.02 A 36 GLN CA C 13 56.83 0.30 A 36 GLN CB C 13 29.43 0.30 A 36 GLN CG C 13 34.83 0.30 A 36 GLN N N 15 123.61 0.30 A 36 GLN NE2 N 15 114.41 0.30 A 37 LEU H H 1 8.83 0.02 A 37 LEU HA H 1 4.10 0.02 A 37 LEU HBy H 1 1.78 0.02 A 37 LEU HBx H 1 1.09 0.02 A 37 LEU HD1% H 1 0.40 0.02 A 37 LEU HD2% H 1 0.36 0.02 A 37 LEU HG H 1 1.42 0.02 A 37 LEU CA C 13 57.23 0.30 A 37 LEU CB C 13 42.13 0.30 A 37 LEU CD1 C 13 23.43 0.30 A 37 LEU CD2 C 13 25.93 0.30 A 37 LEU CG C 13 32.63 0.30 A 37 LEU N N 15 131.41 0.30 A 38 LEU H H 1 9.78 0.02 A 38 LEU HA H 1 4.29 0.02 A 38 LEU HBy H 1 1.78 0.02 A 38 LEU HBx H 1 1.56 0.02 A 38 LEU HD1% H 1 0.95 0.02 A 38 LEU HD2% H 1 0.93 0.02 A 38 LEU HG H 1 1.87 0.02 A 38 LEU CA C 13 54.33 0.30 A 38 LEU CB C 13 42.93 0.30 A 38 LEU CD1 C 13 25.73 0.30 A 38 LEU CD2 C 13 22.53 0.30 A 38 LEU CG C 13 27.53 0.30 A 38 LEU N N 15 126.41 0.30 A 39 ARG H H 1 8.88 0.02 A 39 ARG HA H 1 3.45 0.02 A 39 ARG HBy H 1 1.98 0.02 A 39 ARG HBx H 1 1.85 0.02 A 39 ARG HD2 H 1 3.03 0.02 A 39 ARG HGy H 1 1.93 0.02 A 39 ARG HGx H 1 1.58 0.02 A 39 ARG CA C 13 57.93 0.30 A 39 ARG CB C 13 27.03 0.30 A 39 ARG CD C 13 43.33 0.30 A 39 ARG CG C 13 27.03 0.30 A 39 ARG N N 15 126.61 0.30 A 40 ARG H H 1 8.59 0.02 A 40 ARG HA H 1 4.00 0.02 A 40 ARG HBy H 1 1.98 0.02 A 40 ARG HBx H 1 1.82 0.02 A 40 ARG HD2 H 1 3.06 0.02 A 40 ARG HG2 H 1 1.59 0.02 A 40 ARG CA C 13 58.53 0.30 A 40 ARG CB C 13 32.83 0.30 A 40 ARG CD C 13 43.33 0.30 A 40 ARG CG C 13 27.03 0.30 A 40 ARG N N 15 116.41 0.30 A 41 GLU H H 1 6.80 0.02 A 41 GLU HA H 1 4.26 0.02 A 41 GLU HBy H 1 2.08 0.02 A 41 GLU HBx H 1 1.88 0.02 A 41 GLU HGy H 1 2.43 0.02 A 41 GLU HGx H 1 2.33 0.02 A 41 GLU CA C 13 58.93 0.30 A 41 GLU CB C 13 30.53 0.30 A 41 GLU CG C 13 38.63 0.30 A 41 GLU N N 15 117.71 0.30 A 42 VAL H H 1 7.76 0.02 A 42 VAL HA H 1 3.18 0.02 A 42 VAL HB H 1 2.09 0.02 A 42 VAL HG1% H 1 0.74 0.02 A 42 VAL HG2% H 1 0.67 0.02 A 42 VAL CA C 13 67.53 0.30 A 42 VAL CB C 13 31.33 0.30 A 42 VAL CG1 C 13 23.43 0.30 A 42 VAL CG2 C 13 22.23 0.30 A 42 VAL N N 15 124.71 0.30 A 43 TYR H H 1 7.60 0.02 A 43 TYR HA H 1 4.19 0.02 A 43 TYR HB3 H 1 3.01 0.02 A 43 TYR HD1 H 1 6.75 0.02 A 43 TYR HE1 H 1 6.54 0.02 A 43 TYR CA C 13 59.13 0.30 A 43 TYR CB C 13 38.73 0.30 A 43 TYR N N 15 118.31 0.30 A 44 ASP H H 1 8.66 0.02 A 44 ASP HA H 1 4.71 0.02 A 44 ASP HBy H 1 2.84 0.02 A 44 ASP HBx H 1 2.71 0.02 A 44 ASP CA C 13 58.03 0.30 A 44 ASP CB C 13 40.83 0.30 A 44 ASP N N 15 120.91 0.30 A 45 PHE H H 1 8.25 0.02 A 45 PHE HA H 1 3.93 0.02 A 45 PHE HBy H 1 3.33 0.02 A 45 PHE HBx H 1 3.25 0.02 A 45 PHE HD1 H 1 7.22 0.02 A 45 PHE HE1 H 1 7.07 0.02 A 45 PHE HZ H 1 7.28 0.02 A 45 PHE CA C 13 62.63 0.30 A 45 PHE CB C 13 39.03 0.30 A 45 PHE N N 15 125.31 0.30 A 46 ALA H H 1 7.79 0.02 A 46 ALA HA H 1 4.50 0.02 A 46 ALA HB% H 1 1.49 0.02 A 46 ALA CA C 13 54.13 0.30 A 46 ALA CB C 13 18.73 0.30 A 46 ALA N N 15 119.71 0.30 A 47 PHE H H 1 9.04 0.02 A 47 PHE HA H 1 4.55 0.02 A 47 PHE HB3 H 1 3.34 0.02 A 47 PHE HD1 H 1 7.28 0.02 A 47 PHE HE1 H 1 7.12 0.02 A 47 PHE HZ H 1 6.99 0.02 A 47 PHE CA C 13 60.53 0.30 A 47 PHE CB C 13 39.03 0.30 A 47 PHE N N 15 123.21 0.30 A 48 ARG H H 1 8.10 0.02 A 48 ARG HA H 1 4.05 0.02 A 48 ARG HBy H 1 2.00 0.02 A 48 ARG HBx H 1 1.67 0.02 A 48 ARG HDy H 1 3.06 0.02 A 48 ARG HDx H 1 2.98 0.02 A 48 ARG HGy H 1 1.98 0.02 A 48 ARG HGx H 1 1.69 0.02 A 48 ARG CA C 13 57.13 0.30 A 48 ARG CB C 13 31.03 0.30 A 48 ARG CD C 13 44.13 0.30 A 48 ARG CG C 13 28.63 0.30 A 48 ARG N N 15 119.81 0.30 A 49 ASP H H 1 8.01 0.02 A 49 ASP HA H 1 4.45 0.02 A 49 ASP HBy H 1 3.14 0.02 A 49 ASP HBx H 1 2.20 0.02 A 49 ASP CA C 13 54.53 0.30 A 49 ASP CB C 13 39.93 0.30 A 49 ASP N N 15 120.91 0.30 A 50 LEU H H 1 6.72 0.02 A 50 LEU HA H 1 4.17 0.02 A 50 LEU HBy H 1 0.71 0.02 A 50 LEU HBx H 1 -0.11 0.02 A 50 LEU HD1% H 1 0.65 0.02 A 50 LEU HD2% H 1 0.53 0.02 A 50 LEU HG H 1 1.17 0.02 A 50 LEU CA C 13 54.23 0.30 A 50 LEU CB C 13 41.23 0.30 A 50 LEU CD1 C 13 22.23 0.30 A 50 LEU CD2 C 13 26.63 0.30 A 50 LEU CG C 13 26.73 0.30 A 50 LEU N N 15 118.51 0.30 A 51 CYS H H 1 8.03 0.02 A 51 CYS HA H 1 4.91 0.02 A 51 CYS HBy H 1 3.02 0.02 A 51 CYS HBx H 1 2.87 0.02 A 51 CYS CA C 13 58.73 0.30 A 51 CYS CB C 13 28.73 0.30 A 51 CYS N N 15 117.41 0.30 A 52 ILE H H 1 8.45 0.02 A 52 ILE HA H 1 3.99 0.02 A 52 ILE HB H 1 1.76 0.02 A 52 ILE HD1% H 1 0.47 0.02 A 52 ILE HG1y H 1 1.49 0.02 A 52 ILE HG1x H 1 1.14 0.02 A 52 ILE HG2% H 1 0.37 0.02 A 52 ILE CA C 13 59.93 0.30 A 52 ILE CB C 13 37.73 0.30 A 52 ILE CD1 C 13 11.13 0.30 A 52 ILE CG1 C 13 26.53 0.30 A 52 ILE CG2 C 13 17.63 0.30 A 52 ILE N N 15 125.11 0.30 A 53 VAL H H 1 8.12 0.02 A 53 VAL HA H 1 4.35 0.02 A 53 VAL HB H 1 1.72 0.02 A 53 VAL HG1% H 1 0.79 0.02 A 53 VAL HG2% H 1 0.80 0.02 A 53 VAL CA C 13 60.63 0.30 A 53 VAL CB C 13 34.23 0.30 A 53 VAL CG1 C 13 22.13 0.30 A 53 VAL CG2 C 13 20.23 0.30 A 53 VAL N N 15 127.01 0.30 A 54 TYR H H 1 8.71 0.02 A 54 TYR HA H 1 5.38 0.02 A 54 TYR HBy H 1 2.71 0.02 A 54 TYR HBx H 1 2.52 0.02 A 54 TYR HD2 H 1 6.64 0.02 A 54 TYR HE2 H 1 6.46 0.02 A 54 TYR CA C 13 57.43 0.30 A 54 TYR CB C 13 41.03 0.30 A 54 TYR N N 15 125.01 0.30 A 55 ARG H H 1 8.86 0.02 A 55 ARG HA H 1 4.63 0.02 A 55 ARG HBy H 1 1.75 0.02 A 55 ARG HBx H 1 1.62 0.02 A 55 ARG HD2 H 1 2.91 0.02 A 55 ARG HGy H 1 1.39 0.02 A 55 ARG HGx H 1 1.30 0.02 A 55 ARG CA C 13 55.33 0.30 A 55 ARG CB C 13 32.83 0.30 A 55 ARG CD C 13 43.23 0.30 A 55 ARG CG C 13 26.93 0.30 A 55 ARG N N 15 123.81 0.30 A 56 ASP H H 1 9.63 0.02 A 56 ASP HA H 1 4.30 0.02 A 56 ASP HBy H 1 2.95 0.02 A 56 ASP HBx H 1 2.75 0.02 A 56 ASP CA C 13 55.73 0.30 A 56 ASP CB C 13 40.13 0.30 A 56 ASP N N 15 129.11 0.30 A 57 GLY H H 1 8.71 0.02 A 57 GLY HAy H 1 4.18 0.02 A 57 GLY HAx H 1 3.54 0.02 A 57 GLY CA C 13 45.63 0.30 A 57 GLY N N 15 104.51 0.30 A 58 ASN H H 1 8.13 0.02 A 58 ASN HA H 1 5.38 0.02 A 58 ASN HBy H 1 2.78 0.02 A 58 ASN HBx H 1 2.65 0.02 A 58 ASN HD21 H 1 7.18 0.02 A 58 ASN HD22 H 1 6.96 0.02 A 58 ASN CA C 13 50.33 0.30 A 58 ASN CB C 13 40.43 0.30 A 58 ASN N N 15 122.11 0.30 A 58 ASN ND2 N 15 116.41 0.30 A 59 PRO HA H 1 3.77 0.02 A 59 PRO HBy H 1 1.56 0.02 A 59 PRO HBx H 1 1.16 0.02 A 59 PRO HDy H 1 3.79 0.02 A 59 PRO HDx H 1 3.75 0.02 A 59 PRO HGx H 1 1.56 0.02 A 59 PRO HGy H 1 1.89 0.02 A 59 PRO CA C 13 62.03 0.30 A 59 PRO CB C 13 33.43 0.30 A 59 PRO CD C 13 50.63 0.30 A 59 PRO CG C 13 26.43 0.30 A 60 TYR H H 1 8.58 0.02 A 60 TYR HA H 1 4.35 0.02 A 60 TYR HBy H 1 3.10 0.02 A 60 TYR HBx H 1 2.51 0.02 A 60 TYR HD2 H 1 6.89 0.02 A 60 TYR HE2 H 1 6.83 0.02 A 60 TYR CA C 13 58.13 0.30 A 60 TYR CB C 13 43.43 0.30 A 60 TYR N N 15 119.91 0.30 A 61 ALA H H 1 7.98 0.02 A 61 ALA HA H 1 4.38 0.02 A 61 ALA HB% H 1 0.12 0.02 A 61 ALA CA C 13 49.33 0.30 A 61 ALA CB C 13 20.23 0.30 A 61 ALA N N 15 123.71 0.30 A 62 VAL H H 1 6.33 0.02 A 62 VAL HA H 1 5.48 0.02 A 62 VAL HB H 1 2.02 0.02 A 62 VAL HG1% H 1 1.33 0.02 A 62 VAL HG2% H 1 1.11 0.02 A 62 VAL CA C 13 61.33 0.30 A 62 VAL CB C 13 36.23 0.30 A 62 VAL CG1 C 13 22.53 0.30 A 62 VAL CG2 C 13 21.73 0.30 A 62 VAL N N 15 120.61 0.30 A 63 CYS H H 1 9.42 0.02 A 63 CYS HA H 1 4.56 0.02 A 63 CYS HBy H 1 3.78 0.02 A 63 CYS HBx H 1 2.63 0.02 A 63 CYS CA C 13 58.43 0.30 A 63 CYS CB C 13 31.03 0.30 A 63 CYS N N 15 130.31 0.30 A 64 ASP H H 1 9.04 0.02 A 64 ASP HA H 1 4.41 0.02 A 64 ASP HBy H 1 2.96 0.02 A 64 ASP HBx H 1 2.64 0.02 A 64 ASP CA C 13 58.43 0.30 A 64 ASP CB C 13 42.53 0.30 A 64 ASP N N 15 121.11 0.30 A 65 LYS H H 1 8.33 0.02 A 65 LYS HA H 1 3.99 0.02 A 65 LYS HBy H 1 2.02 0.02 A 65 LYS HBx H 1 1.96 0.02 A 65 LYS HD2 H 1 1.69 0.02 A 65 LYS HE2 H 1 3.00 0.02 A 65 LYS HGy H 1 1.64 0.02 A 65 LYS HGx H 1 1.44 0.02 A 65 LYS CA C 13 60.13 0.30 A 65 LYS CB C 13 32.83 0.30 A 65 LYS CD C 13 29.43 0.30 A 65 LYS CE C 13 42.23 0.30 A 65 LYS CG C 13 25.43 0.30 A 65 LYS N N 15 121.91 0.30 A 66 CYS H H 1 8.69 0.02 A 66 CYS HA H 1 4.11 0.02 A 66 CYS HBy H 1 3.19 0.02 A 66 CYS HBx H 1 3.09 0.02 A 66 CYS CA C 13 63.73 0.30 A 66 CYS CB C 13 30.63 0.30 A 66 CYS N N 15 125.51 0.30 A 67 LEU H H 1 8.46 0.02 A 67 LEU HA H 1 4.03 0.02 A 67 LEU HBy H 1 1.93 0.02 A 67 LEU HBx H 1 1.59 0.02 A 67 LEU HD1% H 1 0.87 0.02 A 67 LEU HD2% H 1 0.81 0.02 A 67 LEU HG H 1 1.74 0.02 A 67 LEU CA C 13 58.63 0.30 A 67 LEU CB C 13 42.23 0.30 A 67 LEU CD1 C 13 25.13 0.30 A 67 LEU CD2 C 13 24.53 0.30 A 67 LEU CG C 13 27.03 0.30 A 67 LEU N N 15 125.11 0.30 A 68 LYS H H 1 7.83 0.02 A 68 LYS HA H 1 3.98 0.02 A 68 LYS HB3 H 1 1.72 0.02 A 68 LYS HD2 H 1 1.53 0.02 A 68 LYS HE2 H 1 2.85 0.02 A 68 LYS HG2 H 1 1.19 0.02 A 68 LYS CA C 13 59.03 0.30 A 68 LYS CB C 13 32.23 0.30 A 68 LYS CD C 13 29.23 0.30 A 68 LYS CE C 13 42.23 0.30 A 68 LYS CG C 13 25.13 0.30 A 68 LYS N N 15 119.21 0.30 A 69 PHE H H 1 7.81 0.02 A 69 PHE HA H 1 4.27 0.02 A 69 PHE HBy H 1 2.75 0.02 A 69 PHE HBx H 1 2.73 0.02 A 69 PHE HD1 H 1 6.56 0.02 A 69 PHE HE1 H 1 7.10 0.02 A 69 PHE HZ H 1 7.14 0.02 A 69 PHE CA C 13 60.13 0.30 A 69 PHE CB C 13 39.43 0.30 A 69 PHE N N 15 121.71 0.30 A 70 TYR H H 1 8.27 0.02 A 70 TYR HA H 1 4.28 0.02 A 70 TYR HBy H 1 3.10 0.02 A 70 TYR HBx H 1 2.76 0.02 A 70 TYR HD2 H 1 6.99 0.02 A 70 TYR HE2 H 1 6.63 0.02 A 70 TYR CA C 13 60.13 0.30 A 70 TYR CB C 13 40.43 0.30 A 70 TYR N N 15 120.11 0.30 A 71 SER H H 1 7.88 0.02 A 71 SER HA H 1 4.32 0.02 A 71 SER HB2 H 1 3.94 0.02 A 71 SER CA C 13 60.13 0.30 A 71 SER CB C 13 63.63 0.30 A 71 SER N N 15 117.21 0.30 A 72 LYS H H 1 7.80 0.02 A 72 LYS HA H 1 4.26 0.02 A 72 LYS HBy H 1 1.86 0.02 A 72 LYS HBx H 1 1.75 0.02 A 72 LYS HD2 H 1 1.61 0.02 A 72 LYS HE2 H 1 2.92 0.02 A 72 LYS HGy H 1 1.42 0.02 A 72 LYS HGx H 1 1.36 0.02 A 72 LYS CA C 13 56.93 0.30 A 72 LYS CB C 13 32.63 0.30 A 72 LYS CD C 13 29.13 0.30 A 72 LYS CE C 13 42.33 0.30 A 72 LYS CG C 13 24.93 0.30 A 72 LYS N N 15 122.81 0.30 A 73 ILE H H 1 7.76 0.02 A 73 ILE HA H 1 4.10 0.02 A 73 ILE HB H 1 1.88 0.02 A 73 ILE HD1% H 1 0.77 0.02 A 73 ILE HG1y H 1 1.40 0.02 A 73 ILE HG1x H 1 1.12 0.02 A 73 ILE HG2% H 1 0.85 0.02 A 73 ILE CA C 13 61.93 0.30 A 73 ILE CB C 13 38.63 0.30 A 73 ILE CD1 C 13 13.43 0.30 A 73 ILE CG1 C 13 27.63 0.30 A 73 ILE CG2 C 13 17.83 0.30 A 73 ILE N N 15 121.61 0.30 A 74 SER H H 1 8.16 0.02 A 74 SER HA H 1 4.30 0.02 A 74 SER HBy H 1 3.85 0.02 A 74 SER HBx H 1 3.77 0.02 A 74 SER CA C 13 59.33 0.30 A 74 SER CB C 13 63.93 0.30 A 74 SER N N 15 120.31 0.30 A 75 GLU H H 1 8.25 0.02 A 75 GLU HA H 1 4.18 0.02 A 75 GLU HBy H 1 1.94 0.02 A 75 GLU HBx H 1 1.87 0.02 A 75 GLU HGx H 1 2.13 0.02 A 75 GLU HGy H 1 2.16 0.02 A 75 GLU CA C 13 57.33 0.30 A 75 GLU CB C 13 30.13 0.30 A 75 GLU CG C 13 36.43 0.30 A 75 GLU N N 15 123.81 0.30 A 76 TYR H H 1 8.00 0.02 A 76 TYR HA H 1 4.46 0.02 A 76 TYR HBy H 1 2.95 0.02 A 76 TYR HBx H 1 2.92 0.02 A 76 TYR HD1 H 1 7.00 0.02 A 76 TYR HE1 H 1 6.74 0.02 A 76 TYR CA C 13 58.13 0.30 A 76 TYR CB C 13 38.73 0.30 A 76 TYR N N 15 122.31 0.30 A 77 ARG H H 1 7.90 0.02 A 77 ARG HA H 1 4.19 0.02 A 77 ARG HB3 H 1 1.59 0.02 A 77 ARG HD2 H 1 3.07 0.02 A 77 ARG HG2 H 1 1.39 0.02 A 77 ARG CA C 13 56.03 0.30 A 77 ARG CB C 13 31.03 0.30 A 77 ARG CD C 13 43.43 0.30 A 77 ARG CG C 13 27.03 0.30 A 77 ARG N N 15 124.51 0.30 A 78 HIS H H 1 8.13 0.02 A 78 HIS HA H 1 4.51 0.02 A 78 HIS HBy H 1 3.01 0.02 A 78 HIS HBx H 1 2.94 0.02 A 78 HIS HD2 H 1 6.95 0.02 A 78 HIS HE1 H 1 7.91 0.02 A 78 HIS CA C 13 56.33 0.30 A 78 HIS CB C 13 30.73 0.30 A 78 HIS N N 15 122.11 0.30 A 79 TYR H H 1 8.01 0.02 A 79 TYR HA H 1 4.58 0.02 A 79 TYR HBy H 1 3.07 0.02 A 79 TYR HBx H 1 2.87 0.02 A 79 TYR HD1 H 1 7.06 0.02 A 79 TYR HE1 H 1 6.77 0.02 A 79 TYR CA C 13 57.93 0.30 A 79 TYR CB C 13 39.13 0.30 A 79 TYR N N 15 123.61 0.30 A 80 SER H H 1 7.84 0.02 A 80 SER HA H 1 4.19 0.02 A 80 SER HB2 H 1 3.80 0.02 A 80 SER CA C 13 60.23 0.30 A 80 SER CB C 13 65.13 0.30 A 80 SER N N 15 124.41 0.30 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 47 PHE HD% B 23 ILE HG21 1.0 1.8 6.0 2 2 B 23 ILE HG21 A 47 PHE HE% 1.0 1.8 6.0 3 3 A 47 PHE HD% B 23 ILE HD11 1.0 1.8 6.0 4 4 A 47 PHE HE% B 23 ILE HD11 1.0 1.8 6.0 5 5 A 47 PHE HD% B 24 HIS HE1 1.0 1.8 6.0 6 6 A 47 PHE HE% B 24 HIS HE1 1.0 1.8 6.0 7 7 A 47 PHE HD% B 43 TYR HE% 1.0 1.8 6.0 8 8 A 47 PHE HD% B 43 TYR HD% 1.0 1.8 6.0 9 9 A 47 PHE HE% B 12 LEU HD21 1.0 1.8 6.0 10 10 A 47 PHE HE% B 46 ALA HB1 1.0 1.8 6.0 11 11 A 47 PHE HD% B 46 ALA HB1 1.0 1.8 6.0 12 12 B 47 PHE HD% A 23 ILE HG2% 1.0 1.8 6.0 13 13 A 23 ILE HG2% B 47 PHE HE% 1.0 1.8 6.0 14 14 B 47 PHE HD% A 23 ILE HD1% 1.0 1.8 6.0 15 15 B 47 PHE HE% A 23 ILE HD1% 1.0 1.8 6.0 16 16 B 47 PHE HD% A 24 HIS HE1 1.0 1.8 6.0 17 17 B 47 PHE HE% A 24 HIS HE1 1.0 1.8 6.0 18 18 B 47 PHE HD% A 43 TYR HE% 1.0 1.8 6.0 19 19 B 47 PHE HE% A 12 LEU HD2% 1.0 1.8 6.0 20 20 B 47 PHE HD% A 43 TYR HD% 1.0 1.8 6.0 21 21 B 47 PHE HE% A 46 ALA HB% 1.0 1.8 6.0 22 22 B 47 PHE HD% A 46 ALA HB% 1.0 1.8 6.0 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 LEU N 1.0 108.00 178.08 PSI 2 2 A 11 LYS C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -67.86 -50.90 PHI 3 3 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 PRO N 1.0 -58.64 -29.72 PSI 4 4 A 12 LEU C A 13 PRO N A 13 PRO CA A 13 PRO C 1.0 -75.59 -45.51 PHI 5 5 A 13 PRO N A 13 PRO CA A 13 PRO C A 14 GLN N 1.0 -50.66 -34.70 PSI 6 6 A 13 PRO C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -87.64 -54.32 PHI 7 7 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 LEU N 1.0 -50.41 -24.61 PSI 8 8 A 14 GLN C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -73.03 -58.63 PHI 9 9 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 CYS N 1.0 -52.28 -35.52 PSI 10 10 A 15 LEU C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -78.31 -48.91 PHI 11 11 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 THR N 1.0 -59.35 -19.31 PSI 12 12 A 16 CYS C A 17 THR N A 17 THR CA A 17 THR C 1.0 -73.02 -56.70 PHI 13 13 A 17 THR N A 17 THR CA A 17 THR C A 18 GLU N 1.0 -47.30 -28.70 PSI 14 14 A 17 THR C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -75.24 -49.76 PHI 15 15 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 LEU N 1.0 -56.75 -5.59 PSI 16 16 A 18 GLU C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -110.52 -70.68 PHI 17 17 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 GLN N 1.0 -26.81 37.15 PSI 18 18 A 21 THR C A 22 THR N A 22 THR CA A 22 THR C 1.0 -147.98 -99.42 PHI 19 19 A 22 THR N A 22 THR CA A 22 THR C A 23 ILE N 1.0 132.06 185.74 PSI 20 20 A 25 ASP C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -137.36 -45.36 PHI 21 21 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 ILE N 1.0 111.51 143.03 PSI 22 22 A 26 ILE C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -132.79 -66.39 PHI 23 23 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 LEU N 1.0 86.54 158.10 PSI 24 24 A 27 ILE C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -147.34 -89.90 PHI 25 25 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 GLU N 1.0 121.32 160.08 PSI 26 26 A 29 GLU C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -174.12 -67.92 PHI 27 27 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 VAL N 1.0 103.56 143.72 PSI 28 28 A 31 VAL C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -127.91 -67.11 PHI 29 29 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 CYS N 1.0 -70.87 11.81 PSI 30 30 A 36 GLN C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -103.03 -49.79 PHI 31 31 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 LEU N 1.0 102.66 148.22 PSI 32 32 A 39 ARG C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -73.42 -47.26 PHI 33 33 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 GLU N 1.0 -51.53 -28.33 PSI 34 34 A 40 ARG C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -82.54 -52.14 PHI 35 35 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 VAL N 1.0 -54.04 -22.60 PSI 36 36 A 41 GLU C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -68.24 -54.64 PHI 37 37 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 TYR N 1.0 -48.27 -35.35 PSI 38 38 A 42 VAL C A 43 TYR N A 43 TYR CA A 43 TYR C 1.0 -89.89 -39.61 PHI 39 39 A 43 TYR N A 43 TYR CA A 43 TYR C A 44 ASP N 1.0 -69.35 -1.59 PSI 40 40 A 43 TYR C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -83.10 -52.14 PHI 41 41 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 PHE N 1.0 -62.17 -23.77 PSI 42 42 A 44 ASP C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -70.61 -56.33 PHI 43 43 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ALA N 1.0 -50.22 -35.18 PSI 44 44 A 45 PHE C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -84.48 -54.20 PHI 45 45 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 PHE N 1.0 -55.19 -13.35 PSI 46 46 A 51 CYS C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -137.20 -81.32 PHI 47 47 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 VAL N 1.0 74.47 157.99 PSI 48 48 A 52 ILE C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -143.55 -91.63 PHI 49 49 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 TYR N 1.0 113.82 135.90 PSI 50 50 A 53 VAL C A 54 TYR N A 54 TYR CA A 54 TYR C 1.0 -143.33 -95.09 PHI 51 51 A 54 TYR N A 54 TYR CA A 54 TYR C A 55 ARG N 1.0 110.52 145.68 PSI 52 52 A 54 TYR C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -172.83 -62.99 PHI 53 53 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 ASP N 1.0 105.49 151.93 PSI 54 54 A 57 GLY C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -142.86 -72.30 PHI 55 55 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 PRO N 1.0 75.38 195.18 PSI 56 56 A 59 PRO C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -164.69 -93.57 PHI 57 57 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 ALA N 1.0 108.41 171.97 PSI 58 58 A 61 ALA C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -147.75 -98.75 PHI 59 59 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 CYS N 1.0 112.18 150.50 PSI 60 60 A 63 CYS C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -71.51 -44.47 PHI 61 61 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 LYS N 1.0 -66.67 -16.43 PSI 62 62 A 64 ASP C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -82.08 -51.84 PHI 63 63 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 CYS N 1.0 -57.02 -19.94 PSI 64 64 A 65 LYS C A 66 CYS N A 66 CYS CA A 66 CYS C 1.0 -72.02 -55.50 PHI 65 65 A 66 CYS N A 66 CYS CA A 66 CYS C A 67 LEU N 1.0 -57.96 -18.80 PSI 66 66 A 66 CYS C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -80.07 -52.31 PHI 67 67 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 LYS N 1.0 -64.22 -14.06 PSI 68 68 A 67 LEU C A 68 LYS N A 68 LYS CA A 68 LYS C 1.0 -79.39 -56.63 PHI 69 69 A 68 LYS N A 68 LYS CA A 68 LYS C A 69 PHE N 1.0 -55.35 -13.79 PSI 70 70 A 68 LYS C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -75.53 -56.69 PHI 71 71 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 TYR N 1.0 -51.85 -27.09 PSI 72 72 A 71 SER C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -90.91 -43.83 PHI 73 73 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 ILE N 1.0 -56.50 -17.62 PSI 74 74 B 11 LYS N B 11 LYS CA B 11 LYS C B 12 LEU N 1.0 108.00 178.08 PSI 75 75 B 11 LYS C B 12 LEU N B 12 LEU CA B 12 LEU C 1.0 -67.86 -50.90 PHI 76 76 B 12 LEU N B 12 LEU CA B 12 LEU C B 13 PRO N 1.0 -58.64 -29.72 PSI 77 77 B 12 LEU C B 13 PRO N B 13 PRO CA B 13 PRO C 1.0 -75.59 -45.51 PHI 78 78 B 13 PRO N B 13 PRO CA B 13 PRO C B 14 GLN N 1.0 -50.66 -34.70 PSI 79 79 B 13 PRO C B 14 GLN N B 14 GLN CA B 14 GLN C 1.0 -87.64 -54.32 PHI 80 80 B 14 GLN N B 14 GLN CA B 14 GLN C B 15 LEU N 1.0 -50.41 -24.61 PSI 81 81 B 14 GLN C B 15 LEU N B 15 LEU CA B 15 LEU C 1.0 -73.03 -58.63 PHI 82 82 B 15 LEU N B 15 LEU CA B 15 LEU C B 16 CYS N 1.0 -52.28 -35.52 PSI 83 83 B 15 LEU C B 16 CYS N B 16 CYS CA B 16 CYS C 1.0 -78.31 -48.91 PHI 84 84 B 16 CYS N B 16 CYS CA B 16 CYS C B 17 THR N 1.0 -59.35 -19.31 PSI 85 85 B 16 CYS C B 17 THR N B 17 THR CA B 17 THR C 1.0 -73.02 -56.70 PHI 86 86 B 17 THR N B 17 THR CA B 17 THR C B 18 GLU N 1.0 -47.30 -28.70 PSI 87 87 B 17 THR C B 18 GLU N B 18 GLU CA B 18 GLU C 1.0 -75.24 -49.76 PHI 88 88 B 18 GLU N B 18 GLU CA B 18 GLU C B 19 LEU N 1.0 -56.75 -5.59 PSI 89 89 B 18 GLU C B 19 LEU N B 19 LEU CA B 19 LEU C 1.0 -110.52 -70.68 PHI 90 90 B 19 LEU N B 19 LEU CA B 19 LEU C B 20 GLN N 1.0 -26.81 37.15 PSI 91 91 B 21 THR C B 22 THR N B 22 THR CA B 22 THR C 1.0 -147.98 -99.42 PHI 92 92 B 22 THR N B 22 THR CA B 22 THR C B 23 ILE N 1.0 132.06 185.74 PSI 93 93 B 25 ASP C B 26 ILE N B 26 ILE CA B 26 ILE C 1.0 -137.36 -45.36 PHI 94 94 B 26 ILE N B 26 ILE CA B 26 ILE C B 27 ILE N 1.0 111.51 143.03 PSI 95 95 B 26 ILE C B 27 ILE N B 27 ILE CA B 27 ILE C 1.0 -132.79 -66.39 PHI 96 96 B 27 ILE N B 27 ILE CA B 27 ILE C B 28 LEU N 1.0 86.54 158.10 PSI 97 97 B 27 ILE C B 28 LEU N B 28 LEU CA B 28 LEU C 1.0 -147.34 -89.90 PHI 98 98 B 28 LEU N B 28 LEU CA B 28 LEU C B 29 GLU N 1.0 121.32 160.08 PSI 99 99 B 29 GLU C B 30 CYS N B 30 CYS CA B 30 CYS C 1.0 -174.12 -67.92 PHI 100 100 B 30 CYS N B 30 CYS CA B 30 CYS C B 31 VAL N 1.0 103.56 143.72 PSI 101 101 B 31 VAL C B 32 TYR N B 32 TYR CA B 32 TYR C 1.0 -127.91 -67.11 PHI 102 102 B 32 TYR N B 32 TYR CA B 32 TYR C B 33 CYS N 1.0 -70.87 11.81 PSI 103 103 B 36 GLN C B 37 LEU N B 37 LEU CA B 37 LEU C 1.0 -103.03 -49.79 PHI 104 104 B 37 LEU N B 37 LEU CA B 37 LEU C B 38 LEU N 1.0 102.66 148.22 PSI 105 105 B 39 ARG C B 40 ARG N B 40 ARG CA B 40 ARG C 1.0 -73.42 -47.26 PHI 106 106 B 40 ARG N B 40 ARG CA B 40 ARG C B 41 GLU N 1.0 -51.53 -28.33 PSI 107 107 B 40 ARG C B 41 GLU N B 41 GLU CA B 41 GLU C 1.0 -82.54 -52.14 PHI 108 108 B 41 GLU N B 41 GLU CA B 41 GLU C B 42 VAL N 1.0 -54.04 -22.60 PSI 109 109 B 41 GLU C B 42 VAL N B 42 VAL CA B 42 VAL C 1.0 -68.24 -54.64 PHI 110 110 B 42 VAL N B 42 VAL CA B 42 VAL C B 43 TYR N 1.0 -48.27 -35.35 PSI 111 111 B 42 VAL C B 43 TYR N B 43 TYR CA B 43 TYR C 1.0 -89.89 -39.61 PHI 112 112 B 43 TYR N B 43 TYR CA B 43 TYR C B 44 ASP N 1.0 -69.35 -1.59 PSI 113 113 B 43 TYR C B 44 ASP N B 44 ASP CA B 44 ASP C 1.0 -83.10 -52.14 PHI 114 114 B 44 ASP N B 44 ASP CA B 44 ASP C B 45 PHE N 1.0 -62.17 -23.77 PSI 115 115 B 44 ASP C B 45 PHE N B 45 PHE CA B 45 PHE C 1.0 -70.61 -56.33 PHI 116 116 B 45 PHE N B 45 PHE CA B 45 PHE C B 46 ALA N 1.0 -50.22 -35.18 PSI 117 117 B 45 PHE C B 46 ALA N B 46 ALA CA B 46 ALA C 1.0 -84.48 -54.20 PHI 118 118 B 46 ALA N B 46 ALA CA B 46 ALA C B 47 PHE N 1.0 -55.19 -13.35 PSI 119 119 B 51 CYS C B 52 ILE N B 52 ILE CA B 52 ILE C 1.0 -137.20 -81.32 PHI 120 120 B 52 ILE N B 52 ILE CA B 52 ILE C B 53 VAL N 1.0 74.47 157.99 PSI 121 121 B 52 ILE C B 53 VAL N B 53 VAL CA B 53 VAL C 1.0 -143.55 -91.63 PHI 122 122 B 53 VAL N B 53 VAL CA B 53 VAL C B 54 TYR N 1.0 113.82 135.90 PSI 123 123 B 53 VAL C B 54 TYR N B 54 TYR CA B 54 TYR C 1.0 -143.33 -95.09 PHI 124 124 B 54 TYR N B 54 TYR CA B 54 TYR C B 55 ARG N 1.0 110.52 145.68 PSI 125 125 B 54 TYR C B 55 ARG N B 55 ARG CA B 55 ARG C 1.0 -172.83 -62.99 PHI 126 126 B 55 ARG N B 55 ARG CA B 55 ARG C B 56 ASP N 1.0 105.49 151.93 PSI 127 127 B 57 GLY C B 58 ASN N B 58 ASN CA B 58 ASN C 1.0 -142.86 -72.30 PHI 128 128 B 58 ASN N B 58 ASN CA B 58 ASN C B 59 PRO N 1.0 75.38 195.18 PSI 129 129 B 59 PRO C B 60 TYR N B 60 TYR CA B 60 TYR C 1.0 -164.69 -93.57 PHI 130 130 B 60 TYR N B 60 TYR CA B 60 TYR C B 61 ALA N 1.0 108.41 171.97 PSI 131 131 B 61 ALA C B 62 VAL N B 62 VAL CA B 62 VAL C 1.0 -147.75 -98.75 PHI 132 132 B 62 VAL N B 62 VAL CA B 62 VAL C B 63 CYS N 1.0 112.18 150.50 PSI 133 133 B 63 CYS C B 64 ASP N B 64 ASP CA B 64 ASP C 1.0 -71.51 -44.47 PHI 134 134 B 64 ASP N B 64 ASP CA B 64 ASP C B 65 LYS N 1.0 -66.67 -16.43 PSI 135 135 B 64 ASP C B 65 LYS N B 65 LYS CA B 65 LYS C 1.0 -82.08 -51.84 PHI 136 136 B 65 LYS N B 65 LYS CA B 65 LYS C B 66 CYS N 1.0 -57.02 -19.94 PSI 137 137 B 65 LYS C B 66 CYS N B 66 CYS CA B 66 CYS C 1.0 -72.02 -55.50 PHI 138 138 B 66 CYS N B 66 CYS CA B 66 CYS C B 67 LEU N 1.0 -57.96 -18.80 PSI 139 139 B 66 CYS C B 67 LEU N B 67 LEU CA B 67 LEU C 1.0 -80.07 -52.31 PHI 140 140 B 67 LEU N B 67 LEU CA B 67 LEU C B 68 LYS N 1.0 -64.22 -14.06 PSI 141 141 B 67 LEU C B 68 LYS N B 68 LYS CA B 68 LYS C 1.0 -79.39 -56.63 PHI 142 142 B 68 LYS N B 68 LYS CA B 68 LYS C B 69 PHE N 1.0 -55.35 -13.79 PSI 143 143 B 68 LYS C B 69 PHE N B 69 PHE CA B 69 PHE C 1.0 -75.53 -56.69 PHI 144 144 B 69 PHE N B 69 PHE CA B 69 PHE C B 70 TYR N 1.0 -51.85 -27.09 PSI 145 145 B 71 SER C B 72 LYS N B 72 LYS CA B 72 LYS C 1.0 -90.91 -43.83 PHI 146 146 B 72 LYS N B 72 LYS CA B 72 LYS C B 73 ILE N 1.0 -56.50 -17.62 PSI stop_ save_