data_nef_c34461_6tl0 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 _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 . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6TL0 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 2 25 CYS SG 3 1 ZN ZN 2 29 CYS SG 3 1 ZN ZN 2 31 CYS SG 3 1 ZN ZN 2 34 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 -9 GLY start . false 2 A -8 SER middle . . 3 A -7 PRO middle . false 4 A -6 GLU middle . . 5 A -5 PHE middle . . 6 A -4 GLY middle . false 7 A -3 THR middle . . 8 A -2 ARG middle . . 9 A -1 ASP middle . . 10 A 0 ARG middle . . 11 A 1 MET middle . . 12 A 2 LEU middle . . 13 A 3 VAL middle . . 14 A 4 LEU middle . . 15 A 5 VAL middle . . 16 A 6 LEU middle . . 17 A 7 GLY middle . false 18 A 8 ASP middle . . 19 A 9 LEU middle . . 20 A 10 HIS middle . . 21 A 11 ILE middle . . 22 A 12 PRO middle . true 23 A 13 HIS middle . . 24 A 14 ARG middle . . 25 A 15 CYS middle . . 26 A 16 ASN middle . . 27 A 17 SER middle . . 28 A 18 LEU middle . . 29 A 19 PRO middle . false 30 A 20 ALA middle . . 31 A 21 LYS middle . . 32 A 22 PHE middle . . 33 A 23 LYS middle . . 34 A 24 LYS middle . . 35 A 25 LEU middle . . 36 A 26 LEU middle . . 37 A 27 VAL middle . . 38 A 28 PRO middle . false 39 A 29 GLY middle . false 40 A 30 LYS middle . . 41 A 31 ILE middle . . 42 A 32 GLN middle . . 43 A 33 HIS middle . . 44 A 34 ILE middle . . 45 A 35 LEU middle . . 46 A 36 CYS middle . . 47 A 37 THR middle . . 48 A 38 GLY middle . false 49 A 39 ASN middle . . 50 A 40 LEU middle . . 51 A 41 CYS middle . true 52 A 42 THR middle . . 53 A 43 LYS middle . . 54 A 44 GLU middle . . 55 A 45 SER middle . . 56 A 46 TYR middle . . 57 A 47 ASP middle . . 58 A 48 TYR middle . . 59 A 49 LEU middle . . 60 A 50 LYS middle . . 61 A 51 THR middle . . 62 A 52 LEU middle . . 63 A 53 ALA middle . . 64 A 54 GLY middle . false 65 A 55 ASP middle . . 66 A 56 VAL middle . . 67 A 57 HIS middle . . 68 A 58 ILE middle . . 69 A 59 VAL middle . . 70 A 60 ARG middle . . 71 A 61 GLY middle . false 72 A 62 ASP middle . . 73 A 63 PHE middle . . 74 A 64 ASP middle . . 75 A 65 GLU middle . . 76 A 66 ASN middle . . 77 A 67 LEU middle . . 78 A 68 ASN middle . . 79 A 69 TYR middle . . 80 A 70 PRO middle . false 81 A 71 GLU middle . . 82 A 72 GLN middle . . 83 A 73 LYS middle . . 84 A 74 VAL middle . . 85 A 75 VAL middle . . 86 A 76 THR middle . . 87 A 77 VAL middle . . 88 A 78 GLY middle . false 89 A 79 GLN middle . . 90 A 80 PHE middle . . 91 A 81 LYS middle . . 92 A 82 ILE middle . . 93 A 83 GLY middle . false 94 A 84 LEU middle . . 95 A 85 ILE middle . . 96 A 86 HIS middle . . 97 A 87 GLY middle . false 98 A 88 HIS middle . . 99 A 89 GLN middle . . 100 A 90 VAL middle . . 101 A 91 ILE middle . . 102 A 92 PRO middle . true 103 A 93 TRP middle . . 104 A 94 GLY middle . false 105 A 95 ASP middle . . 106 A 96 MET middle . . 107 A 97 ALA middle . . 108 A 98 SER middle . . 109 A 99 LEU middle . . 110 A 100 ALA middle . . 111 A 101 LEU middle . . 112 A 102 LEU middle . . 113 A 103 GLN middle . . 114 A 104 ARG middle . . 115 A 105 GLN middle . . 116 A 106 PHE middle . . 117 A 107 ASP middle . . 118 A 108 VAL middle . . 119 A 109 ASP middle . . 120 A 110 ILE middle . . 121 A 111 LEU middle . . 122 A 112 ILE middle . . 123 A 113 SER middle . . 124 A 114 GLY middle . false 125 A 115 HIS middle . . 126 A 116 THR middle . . 127 A 117 HIS middle . . 128 A 118 LYS middle . . 129 A 119 PHE middle . . 130 A 120 GLU middle . . 131 A 121 ALA middle . . 132 A 122 PHE middle . . 133 A 123 GLU middle . . 134 A 124 HIS middle . . 135 A 125 GLU middle . . 136 A 126 ASN middle . . 137 A 127 LYS middle . . 138 A 128 PHE middle . . 139 A 129 TYR middle . . 140 A 130 ILE middle . . 141 A 131 ASN middle . . 142 A 132 PRO middle . false 143 A 133 GLY middle . false 144 A 134 SER middle . . 145 A 135 ALA middle . . 146 A 136 THR middle . . 147 A 137 GLY middle . false 148 A 138 ALA middle . . 149 A 139 TYR middle . . 150 A 140 ASN middle . . 151 A 141 ALA middle . . 152 A 142 LEU middle . . 153 A 143 GLU middle . . 154 A 144 THR middle . . 155 A 145 ASN middle . . 156 A 146 ILE middle . . 157 A 147 ILE middle . . 158 A 148 PRO middle . false 159 A 149 SER middle . . 160 A 150 PHE middle . . 161 A 151 VAL middle . . 162 A 152 LEU middle . . 163 A 153 MET middle . . 164 A 154 ASP middle . . 165 A 155 ILE middle . . 166 A 156 GLN middle . . 167 A 157 ALA middle . . 168 A 158 SER middle . . 169 A 159 THR middle . . 170 A 160 VAL middle . . 171 A 161 VAL middle . . 172 A 162 THR middle . . 173 A 163 TYR middle . . 174 A 164 VAL middle . . 175 A 165 TYR middle . . 176 A 166 GLN middle . . 177 A 167 LEU middle . . 178 A 168 ILE middle . . 179 A 169 GLY middle . false 180 A 170 ASP middle . . 181 A 171 ASP middle . . 182 A 172 VAL middle . . 183 A 173 LYS middle . . 184 A 174 VAL middle . . 185 A 175 GLU middle . . 186 A 176 ARG middle . . 187 A 177 ILE middle . . 188 A 178 GLU middle . . 189 A 179 TYR middle . . 190 A 180 LYS middle . . 191 A 181 LYS middle . . 192 A 182 SER end . . 193 B 687 GLY start . false 194 B 688 PRO middle . false 195 B 689 LEU middle . . 196 B 690 GLY middle . false 197 B 691 SER middle . . 198 B 692 THR middle . . 199 B 693 GLU middle . . 200 B 694 GLU middle . . 201 B 695 ASP middle . . 202 B 696 LEU middle . . 203 B 697 GLU middle . . 204 B 698 ASP middle . . 205 B 699 ALA middle . . 206 B 700 GLU middle . . 207 B 701 ASP middle . . 208 B 702 THR middle . . 209 B 703 VAL middle . . 210 B 704 SER middle . . 211 B 705 ALA middle . . 212 B 706 ALA middle . . 213 B 707 ASP middle . . 214 B 708 PRO middle . false 215 B 709 GLU middle . . 216 B 710 PHE middle . . 217 B 711 CYS middle -HG . 218 B 712 HIS middle . . 219 B 713 PRO middle . false 220 B 714 LEU middle . . 221 B 715 CYS middle -HG . 222 B 716 GLN middle . . 223 B 717 CYS middle -HG . 224 B 718 PRO middle . false 225 B 719 LYS middle . . 226 B 720 CYS middle -HG . 227 B 721 ALA middle . . 228 B 722 PRO middle . false 229 B 723 ALA middle . . 230 B 724 GLN middle . . 231 B 725 LYS middle . . 232 B 726 ARG middle . . 233 B 727 LEU middle . . 234 B 728 ALA middle . . 235 B 729 LYS middle . . 236 B 730 VAL middle . . 237 B 731 PRO middle . false 238 B 732 ALA middle . . 239 B 733 SER middle . . 240 B 734 GLY middle . false 241 B 735 LEU middle . . 242 B 736 GLY middle . false 243 B 737 VAL middle . . 244 B 738 ASN middle . . 245 B 739 VAL middle . . 246 B 740 THR middle . . 247 B 741 SER middle . . 248 B 742 GLN middle . . 249 B 743 ASP middle . . 250 B 744 GLY middle . false 251 B 745 SER middle . . 252 B 746 SER middle . . 253 B 747 TRP end . . 254 C 1 ZN . . . 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 -7 PRO HA H 1 4.422 0.02 A -7 PRO HBx H 1 1.817 0.02 A -7 PRO HBy H 1 2.244 0.02 A -7 PRO HDx H 1 3.741 0.02 A -7 PRO HDy H 1 3.852 0.02 A -7 PRO HGy H 1 2.016 0.02 A -7 PRO CA C 13 63.485 0.1 A -7 PRO CB C 13 32.042 0.1 A -7 PRO CD C 13 50.743 0.1 A -7 PRO CG C 13 27.313 0.1 A -6 GLU H H 1 8.487 0.02 A -6 GLU HA H 1 4.197 0.02 A -6 GLU HBx H 1 1.842 0.02 A -6 GLU HBy H 1 1.935 0.02 A -6 GLU HGx H 1 2.138 0.02 A -6 GLU HGy H 1 2.233 0.02 A -6 GLU CA C 13 56.827 0.1 A -6 GLU CB C 13 30.227 0.1 A -6 GLU CG C 13 36.289 0.1 A -6 GLU N N 15 121.004 0.1 A -5 PHE H H 1 8.215 0.02 A -5 PHE HA H 1 4.657 0.02 A -5 PHE HBx H 1 3.043 0.02 A -5 PHE HBy H 1 3.253 0.02 A -5 PHE HD1 H 1 7.273 0.02 A -5 PHE HD2 H 1 7.273 0.02 A -5 PHE HE1 H 1 7.324 0.02 A -5 PHE HE2 H 1 7.324 0.02 A -5 PHE CA C 13 57.936 0.1 A -5 PHE CB C 13 39.721 0.1 A -5 PHE CD1 C 13 131.897 0.1 A -5 PHE CE1 C 13 131.528 0.1 A -5 PHE N N 15 120.610 0.1 A -4 GLY H H 1 8.444 0.02 A -4 GLY HAy H 1 4.067 0.02 A -4 GLY HAx H 1 4.006 0.02 A -4 GLY CA C 13 45.518 0.1 A -4 GLY N N 15 110.337 0.1 A -3 THR H H 1 8.103 0.02 A -3 THR HA H 1 4.405 0.02 A -3 THR HB H 1 4.266 0.02 A -3 THR CA C 13 62.009 0.1 A -3 THR CB C 13 69.982 0.1 A -3 THR CG2 C 13 21.708 0.1 A -3 THR N N 15 113.450 0.1 A -2 ARG H H 1 8.472 0.02 A -2 ARG HA H 1 4.420 0.02 A -2 ARG HBx H 1 1.837 0.02 A -2 ARG HBy H 1 1.943 0.02 A -2 ARG HDy H 1 3.247 0.02 A -2 ARG CA C 13 56.331 0.1 A -2 ARG CB C 13 30.824 0.1 A -2 ARG CD C 13 43.409 0.1 A -2 ARG CG C 13 26.902 0.1 A -2 ARG N N 15 122.555 0.1 A -1 ASP H H 1 8.345 0.02 A -1 ASP HA H 1 4.637 0.02 A -1 ASP HBx H 1 2.662 0.02 A -1 ASP HBy H 1 2.781 0.02 A -1 ASP CA C 13 54.627 0.1 A -1 ASP CB C 13 41.308 0.1 A -1 ASP N N 15 120.847 0.1 A 0 ARG H H 1 7.947 0.02 A 0 ARG HA H 1 5.033 0.02 A 0 ARG HBy H 1 1.746 0.02 A 0 ARG HDy H 1 3.156 0.02 A 0 ARG HDx H 1 3.127 0.02 A 0 ARG CA C 13 55.571 0.1 A 0 ARG CB C 13 32.405 0.1 A 0 ARG CD C 13 44.103 0.1 A 0 ARG CG C 13 26.333 0.1 A 0 ARG N N 15 121.240 0.1 A 1 MET H H 1 9.132 0.02 A 1 MET HA H 1 4.951 0.02 A 1 MET HBx H 1 2.043 0.02 A 1 MET HBy H 1 2.175 0.02 A 1 MET HGy H 1 2.668 0.02 A 1 MET HGx H 1 2.592 0.02 A 1 MET CA C 13 54.893 0.1 A 1 MET CB C 13 34.928 0.1 A 1 MET CG C 13 32.404 0.1 A 1 MET N N 15 124.799 0.1 A 2 LEU HA H 1 5.615 0.02 A 2 LEU HBy H 1 2.140 0.02 A 2 LEU HBx H 1 1.451 0.02 A 2 LEU HDx% H 1 0.962 0.02 A 2 LEU HDy% H 1 0.942 0.02 A 2 LEU HG H 1 1.815 0.02 A 2 LEU CA C 13 53.577 0.1 A 2 LEU CB C 13 43.838 0.1 A 2 LEU CDx C 13 23.864 0.1 A 2 LEU CDy C 13 23.864 0.1 A 2 LEU CG C 13 27.128 0.1 A 3 VAL H H 1 9.468 0.02 A 3 VAL HA H 1 5.111 0.02 A 3 VAL HB H 1 2.158 0.02 A 3 VAL HGx% H 1 0.783 0.02 A 3 VAL HGy% H 1 0.929 0.02 A 3 VAL CA C 13 59.963 0.1 A 3 VAL CB C 13 34.641 0.1 A 3 VAL CGy C 13 21.772 0.1 A 3 VAL CGx C 13 21.744 0.1 A 3 VAL N N 15 124.362 0.1 A 4 LEU H H 1 8.842 0.02 A 4 LEU HA H 1 5.022 0.02 A 4 LEU HBy H 1 1.460 0.02 A 4 LEU HBx H 1 1.339 0.02 A 4 LEU HDx% H 1 0.769 0.02 A 4 LEU HDy% H 1 0.609 0.02 A 4 LEU CA C 13 54.621 0.1 A 4 LEU CB C 13 44.809 0.1 A 4 LEU CDx C 13 24.947 0.1 A 4 LEU CDy C 13 26.136 0.1 A 4 LEU CG C 13 27.397 0.1 A 4 LEU N N 15 130.249 0.1 A 5 VAL H H 1 9.723 0.02 A 5 VAL HA H 1 5.473 0.02 A 5 VAL HB H 1 2.133 0.02 A 5 VAL HGx% H 1 0.992 0.02 A 5 VAL HGy% H 1 0.966 0.02 A 5 VAL CA C 13 60.672 0.1 A 5 VAL CB C 13 33.310 0.1 A 5 VAL CGx C 13 21.752 0.1 A 5 VAL CGy C 13 22.003 0.1 A 5 VAL N N 15 128.731 0.1 A 6 LEU H H 1 8.351 0.02 A 6 LEU HA H 1 5.631 0.02 A 6 LEU HBy H 1 2.033 0.02 A 6 LEU HBx H 1 1.775 0.02 A 6 LEU HDx% H 1 0.790 0.02 A 6 LEU HDy% H 1 0.663 0.02 A 6 LEU CA C 13 53.632 0.1 A 6 LEU CB C 13 44.882 0.1 A 6 LEU CDx C 13 24.487 0.1 A 6 LEU CDy C 13 24.907 0.1 A 6 LEU N N 15 123.499 0.1 A 7 GLY H H 1 8.189 0.02 A 7 GLY HAy H 1 5.528 0.02 A 7 GLY HAx H 1 3.554 0.02 A 7 GLY CA C 13 45.995 0.1 A 7 GLY N N 15 103.610 0.1 A 8 ASP H H 1 9.485 0.02 A 8 ASP HA H 1 4.341 0.02 A 8 ASP CA C 13 56.814 0.1 A 8 ASP CB C 13 36.287 0.1 A 8 ASP N N 15 116.766 0.1 A 9 LEU H H 1 7.288 0.02 A 9 LEU HA H 1 4.270 0.02 A 9 LEU HBy H 1 1.484 0.02 A 9 LEU HDx% H 1 0.936 0.02 A 9 LEU HG H 1 1.583 0.02 A 9 LEU CA C 13 57.368 0.1 A 9 LEU CB C 13 39.935 0.1 A 9 LEU CDx C 13 25.273 0.1 A 9 LEU CG C 13 29.582 0.1 A 9 LEU N N 15 118.896 0.1 A 10 HIS H H 1 8.372 0.02 A 10 HIS HA H 1 4.032 0.02 A 10 HIS HBy H 1 3.015 0.02 A 10 HIS HBx H 1 2.780 0.02 A 10 HIS CA C 13 57.984 0.1 A 10 HIS CB C 13 28.321 0.1 A 10 HIS N N 15 110.009 0.1 A 11 ILE H H 1 8.081 0.02 A 11 ILE HA H 1 5.260 0.02 A 11 ILE HB H 1 1.657 0.02 A 11 ILE HD1% H 1 0.645 0.02 A 11 ILE HG1y H 1 1.364 0.02 A 11 ILE HG2% H 1 0.700 0.02 A 11 ILE CA C 13 57.883 0.1 A 11 ILE CB C 13 40.316 0.1 A 11 ILE CD1 C 13 13.789 0.1 A 11 ILE CG1 C 13 27.711 0.1 A 11 ILE CG2 C 13 15.923 0.1 A 11 ILE N N 15 119.932 0.1 A 12 PRO HA H 1 5.578 0.02 A 12 PRO HBy H 1 2.274 0.02 A 12 PRO HGy H 1 1.980 0.02 A 12 PRO CA C 13 64.189 0.1 A 12 PRO CB C 13 33.774 0.1 A 12 PRO CG C 13 23.891 0.1 A 13 HIS H H 1 7.970 0.02 A 13 HIS HA H 1 4.357 0.02 A 13 HIS HBx H 1 3.068 0.02 A 13 HIS HBy H 1 3.200 0.02 A 13 HIS CA C 13 59.919 0.1 A 13 HIS CB C 13 31.447 0.1 A 13 HIS N N 15 123.349 0.1 A 14 ARG H H 1 8.593 0.02 A 14 ARG HA H 1 4.728 0.02 A 14 ARG CA C 13 56.860 0.1 A 14 ARG CB C 13 31.324 0.1 A 14 ARG CD C 13 43.354 0.1 A 14 ARG N N 15 112.598 0.1 A 15 CYS H H 1 7.579 0.02 A 15 CYS HA H 1 4.722 0.02 A 15 CYS CB C 13 30.647 0.1 A 15 CYS N N 15 116.176 0.1 A 16 ASN HA H 1 4.782 0.02 A 16 ASN HBy H 1 2.805 0.02 A 16 ASN CA C 13 54.652 0.1 A 16 ASN CB C 13 40.064 0.1 A 17 SER H H 1 7.438 0.02 A 17 SER HA H 1 4.435 0.02 A 17 SER HBy H 1 3.769 0.02 A 17 SER HBx H 1 3.566 0.02 A 17 SER CA C 13 57.195 0.1 A 17 SER CB C 13 64.834 0.1 A 17 SER N N 15 109.944 0.1 A 18 LEU H H 1 8.540 0.02 A 18 LEU HA H 1 4.373 0.02 A 18 LEU HBx H 1 1.363 0.02 A 18 LEU HBy H 1 1.460 0.02 A 18 LEU HDx% H 1 0.759 0.02 A 18 LEU HDy% H 1 0.829 0.02 A 18 LEU CA C 13 55.360 0.1 A 18 LEU CB C 13 42.436 0.1 A 18 LEU CDy C 13 25.716 0.1 A 18 LEU CDx C 13 25.676 0.1 A 18 LEU N N 15 122.924 0.1 A 20 ALA HA H 1 3.944 0.02 A 20 ALA HB% H 1 1.501 0.02 A 20 ALA CA C 13 56.303 0.1 A 20 ALA CB C 13 18.214 0.1 A 21 LYS H H 1 9.144 0.02 A 21 LYS HA H 1 4.005 0.02 A 21 LYS HBy H 1 1.741 0.02 A 21 LYS HE3 H 1 3.079 0.02 A 21 LYS HGx H 1 1.449 0.02 A 21 LYS HGy H 1 1.658 0.02 A 21 LYS CA C 13 59.936 0.1 A 21 LYS CB C 13 32.686 0.1 A 21 LYS CD C 13 29.427 0.1 A 21 LYS CE C 13 43.461 0.1 A 21 LYS CG C 13 27.193 0.1 A 21 LYS N N 15 114.713 0.1 A 22 PHE H H 1 7.199 0.02 A 22 PHE HA H 1 4.857 0.02 A 22 PHE HBy H 1 2.994 0.02 A 22 PHE HD1 H 1 6.974 0.02 A 22 PHE HD2 H 1 6.974 0.02 A 22 PHE HE1 H 1 7.123 0.02 A 22 PHE HE2 H 1 7.123 0.02 A 22 PHE HZ H 1 6.611 0.02 A 22 PHE CA C 13 56.245 0.1 A 22 PHE CB C 13 36.662 0.1 A 22 PHE CD2 C 13 129.764 0.1 A 22 PHE CE2 C 13 130.722 0.1 A 22 PHE CZ C 13 130.742 0.1 A 22 PHE N N 15 113.988 0.1 A 23 LYS H H 1 8.101 0.02 A 23 LYS HA H 1 3.865 0.02 A 23 LYS HBx H 1 1.756 0.02 A 23 LYS HBy H 1 1.914 0.02 A 23 LYS HDy H 1 1.603 0.02 A 23 LYS HGy H 1 1.435 0.02 A 23 LYS HGx H 1 1.296 0.02 A 23 LYS CA C 13 60.427 0.1 A 23 LYS CB C 13 31.943 0.1 A 23 LYS CD C 13 29.293 0.1 A 23 LYS CG C 13 26.122 0.1 A 23 LYS N N 15 119.332 0.1 A 24 LYS H H 1 7.652 0.02 A 24 LYS HA H 1 4.032 0.02 A 24 LYS HBx H 1 1.462 0.02 A 24 LYS HBy H 1 1.867 0.02 A 24 LYS HDy H 1 1.742 0.02 A 24 LYS HE3 H 1 3.029 0.02 A 24 LYS HGy H 1 1.548 0.02 A 24 LYS CA C 13 58.048 0.1 A 24 LYS CB C 13 32.946 0.1 A 24 LYS CD C 13 29.069 0.1 A 24 LYS CE C 13 41.529 0.1 A 24 LYS CG C 13 24.794 0.1 A 24 LYS N N 15 114.675 0.1 A 25 LEU H H 1 6.937 0.02 A 25 LEU HA H 1 4.281 0.02 A 25 LEU HBy H 1 1.982 0.02 A 25 LEU HBx H 1 1.494 0.02 A 25 LEU HDx% H 1 1.039 0.02 A 25 LEU HDy% H 1 1.041 0.02 A 25 LEU CA C 13 55.845 0.1 A 25 LEU CB C 13 43.882 0.1 A 25 LEU CDx C 13 22.823 0.1 A 25 LEU CDy C 13 26.599 0.1 A 25 LEU N N 15 114.898 0.1 A 26 LEU H H 1 7.197 0.02 A 26 LEU HA H 1 4.029 0.02 A 26 LEU HBy H 1 1.773 0.02 A 26 LEU HDx% H 1 0.169 0.02 A 26 LEU HDy% H 1 0.166 0.02 A 26 LEU CA C 13 53.724 0.1 A 26 LEU CB C 13 40.141 0.1 A 26 LEU CDy C 13 24.158 0.1 A 26 LEU CDx C 13 22.960 0.1 A 26 LEU CG C 13 25.142 0.1 A 26 LEU N N 15 120.327 0.1 A 27 VAL H H 1 6.848 0.02 A 27 VAL HA H 1 4.579 0.02 A 27 VAL HB H 1 2.079 0.02 A 27 VAL HGx% H 1 0.849 0.02 A 27 VAL HGy% H 1 0.939 0.02 A 27 VAL CA C 13 57.953 0.1 A 27 VAL CB C 13 32.852 0.1 A 27 VAL CGx C 13 18.647 0.1 A 27 VAL CGy C 13 21.248 0.1 A 27 VAL N N 15 118.641 0.1 A 28 PRO HA H 1 4.386 0.02 A 28 PRO HBx H 1 1.855 0.02 A 28 PRO HBy H 1 2.502 0.02 A 28 PRO HDx H 1 3.740 0.02 A 28 PRO HDy H 1 3.858 0.02 A 28 PRO HGy H 1 2.017 0.02 A 28 PRO CA C 13 63.520 0.1 A 28 PRO CB C 13 32.698 0.1 A 28 PRO CD C 13 50.975 0.1 A 28 PRO CG C 13 27.435 0.1 A 29 GLY H H 1 8.333 0.02 A 29 GLY HAy H 1 4.168 0.02 A 29 GLY HAx H 1 3.773 0.02 A 29 GLY CA C 13 46.176 0.1 A 29 GLY N N 15 108.624 0.1 A 30 LYS H H 1 8.394 0.02 A 30 LYS HA H 1 4.494 0.02 A 30 LYS HBy H 1 1.651 0.02 A 30 LYS HE2 H 1 2.956 0.02 A 30 LYS HE3 H 1 2.960 0.02 A 30 LYS HGy H 1 1.351 0.02 A 30 LYS CA C 13 56.695 0.1 A 30 LYS CB C 13 35.417 0.1 A 30 LYS CE C 13 41.850 0.1 A 30 LYS CG C 13 24.966 0.1 A 30 LYS N N 15 119.629 0.1 A 31 ILE H H 1 8.608 0.02 A 31 ILE HA H 1 3.874 0.02 A 31 ILE HB H 1 1.977 0.02 A 31 ILE HD1% H 1 0.795 0.02 A 31 ILE HG1x H 1 1.253 0.02 A 31 ILE HG1y H 1 1.701 0.02 A 31 ILE HG2% H 1 0.862 0.02 A 31 ILE CA C 13 61.120 0.1 A 31 ILE CB C 13 39.453 0.1 A 31 ILE CD1 C 13 14.063 0.1 A 31 ILE CG1 C 13 26.890 0.1 A 31 ILE CG2 C 13 20.351 0.1 A 31 ILE N N 15 119.923 0.1 A 32 GLN H H 1 8.187 0.02 A 32 GLN HA H 1 4.385 0.02 A 32 GLN HBx H 1 1.734 0.02 A 32 GLN HBy H 1 2.286 0.02 A 32 GLN HE21 H 1 6.455 0.02 A 32 GLN HE22 H 1 7.572 0.02 A 32 GLN HGx H 1 2.283 0.02 A 32 GLN HGy H 1 2.544 0.02 A 32 GLN CA C 13 59.114 0.1 A 32 GLN CB C 13 31.270 0.1 A 32 GLN CG C 13 36.447 0.1 A 32 GLN N N 15 123.588 0.1 A 32 GLN NE2 N 15 113.403 0.1 A 33 HIS H H 1 7.568 0.02 A 33 HIS HA H 1 5.480 0.02 A 33 HIS HBy H 1 2.932 0.02 A 33 HIS CA C 13 53.956 0.1 A 33 HIS N N 15 114.572 0.1 A 34 ILE H H 1 8.887 0.02 A 34 ILE HA H 1 5.081 0.02 A 34 ILE HB H 1 1.639 0.02 A 34 ILE HD1% H 1 0.763 0.02 A 34 ILE HG1y H 1 1.096 0.02 A 34 ILE HG1x H 1 0.496 0.02 A 34 ILE HG2% H 1 0.736 0.02 A 34 ILE CA C 13 60.438 0.1 A 34 ILE CB C 13 40.934 0.1 A 34 ILE CD1 C 13 15.788 0.1 A 34 ILE CG1 C 13 27.588 0.1 A 34 ILE CG2 C 13 16.951 0.1 A 34 ILE N N 15 121.316 0.1 A 35 LEU H H 1 9.463 0.02 A 35 LEU HA H 1 4.928 0.02 A 35 LEU HBy H 1 1.837 0.02 A 35 LEU HBx H 1 1.343 0.02 A 35 LEU HDx% H 1 0.714 0.02 A 35 LEU HDy% H 1 0.702 0.02 A 35 LEU CA C 13 53.751 0.1 A 35 LEU CB C 13 42.455 0.1 A 35 LEU CDy C 13 26.502 0.1 A 35 LEU CDx C 13 24.852 0.1 A 35 LEU CG C 13 27.714 0.1 A 35 LEU N N 15 128.756 0.1 A 36 CYS H H 1 9.128 0.02 A 36 CYS HA H 1 6.179 0.02 A 36 CYS HBx H 1 2.487 0.02 A 36 CYS HBy H 1 2.779 0.02 A 36 CYS CA C 13 54.816 0.1 A 36 CYS CB C 13 29.024 0.1 A 36 CYS N N 15 122.851 0.1 A 37 THR H H 1 8.552 0.02 A 37 THR HB H 1 4.103 0.02 A 37 THR HG2% H 1 1.313 0.02 A 37 THR CA C 13 63.297 0.1 A 37 THR CB C 13 69.206 0.1 A 37 THR CG2 C 13 21.731 0.1 A 37 THR N N 15 117.215 0.1 A 38 GLY H H 1 7.588 0.02 A 38 GLY HAx H 1 3.535 0.02 A 38 GLY CA C 13 43.651 0.1 A 38 GLY N N 15 104.266 0.1 A 39 ASN H H 1 10.733 0.02 A 39 ASN HA H 1 4.331 0.02 A 39 ASN HBy H 1 3.125 0.02 A 39 ASN CA C 13 53.006 0.1 A 39 ASN CB C 13 34.773 0.1 A 39 ASN N N 15 117.764 0.1 A 40 LEU H H 1 10.224 0.02 A 40 LEU HA H 1 4.141 0.02 A 40 LEU HDx% H 1 1.033 0.02 A 40 LEU HDy% H 1 0.877 0.02 A 40 LEU HG H 1 1.775 0.02 A 40 LEU CA C 13 59.412 0.1 A 40 LEU CB C 13 41.330 0.1 A 40 LEU CDy C 13 26.767 0.1 A 40 LEU CDx C 13 24.239 0.1 A 40 LEU CG C 13 28.268 0.1 A 40 LEU N N 15 124.900 0.1 A 41 CYS H H 1 8.119 0.02 A 41 CYS HA H 1 5.061 0.02 A 41 CYS HBx H 1 2.573 0.02 A 41 CYS HBy H 1 3.769 0.02 A 41 CYS CA C 13 60.183 0.1 A 41 CYS CB C 13 31.596 0.1 A 41 CYS N N 15 116.297 0.1 A 42 THR H H 1 8.548 0.02 A 42 THR HA H 1 5.166 0.02 A 42 THR HG2% H 1 1.253 0.02 A 42 THR CA C 13 59.644 0.1 A 42 THR CB C 13 72.832 0.1 A 42 THR CG2 C 13 21.687 0.1 A 42 THR N N 15 112.079 0.1 A 43 LYS H H 1 8.760 0.02 A 43 LYS HA H 1 4.142 0.02 A 43 LYS HBx H 1 1.882 0.02 A 43 LYS HBy H 1 2.026 0.02 A 43 LYS HDy H 1 1.791 0.02 A 43 LYS HE2 H 1 3.028 0.02 A 43 LYS HE3 H 1 3.083 0.02 A 43 LYS HGy H 1 1.679 0.02 A 43 LYS CA C 13 58.974 0.1 A 43 LYS CB C 13 32.774 0.1 A 43 LYS CD C 13 29.309 0.1 A 43 LYS CE C 13 42.175 0.1 A 43 LYS CG C 13 24.687 0.1 A 43 LYS N N 15 120.618 0.1 A 44 GLU H H 1 8.403 0.02 A 44 GLU HA H 1 4.205 0.02 A 44 GLU HBx H 1 1.939 0.02 A 44 GLU HBy H 1 2.032 0.02 A 44 GLU HGy H 1 2.334 0.02 A 44 GLU CA C 13 60.458 0.1 A 44 GLU CB C 13 29.594 0.1 A 44 GLU CG C 13 36.939 0.1 A 44 GLU N N 15 118.377 0.1 A 45 SER H H 1 7.478 0.02 A 45 SER HA H 1 4.562 0.02 A 45 SER HBy H 1 4.055 0.02 A 45 SER HBx H 1 3.680 0.02 A 45 SER CA C 13 62.310 0.1 A 45 SER CB C 13 63.514 0.1 A 45 SER N N 15 113.841 0.1 A 46 TYR H H 1 7.340 0.02 A 46 TYR HA H 1 3.965 0.02 A 46 TYR HBx H 1 3.057 0.02 A 46 TYR HBy H 1 3.407 0.02 A 46 TYR HD1 H 1 7.102 0.02 A 46 TYR HD2 H 1 7.102 0.02 A 46 TYR HE1 H 1 6.737 0.02 A 46 TYR HE2 H 1 6.737 0.02 A 46 TYR CA C 13 62.128 0.1 A 46 TYR CB C 13 37.699 0.1 A 46 TYR CD1 C 13 133.406 0.1 A 46 TYR CE1 C 13 117.690 0.1 A 46 TYR N N 15 124.844 0.1 A 47 ASP H H 1 8.715 0.02 A 47 ASP HA H 1 4.113 0.02 A 47 ASP HBx H 1 2.612 0.02 A 47 ASP HBy H 1 2.765 0.02 A 47 ASP CA C 13 57.390 0.1 A 47 ASP CB C 13 39.530 0.1 A 47 ASP N N 15 118.533 0.1 A 48 TYR H H 1 7.378 0.02 A 48 TYR HA H 1 4.419 0.02 A 48 TYR HBy H 1 3.322 0.02 A 48 TYR HBx H 1 3.058 0.02 A 48 TYR HD1 H 1 6.931 0.02 A 48 TYR HD2 H 1 6.931 0.02 A 48 TYR HE1 H 1 6.490 0.02 A 48 TYR HE2 H 1 6.490 0.02 A 48 TYR CA C 13 60.598 0.1 A 48 TYR CB C 13 37.644 0.1 A 48 TYR CD2 C 13 132.728 0.1 A 48 TYR CE2 C 13 117.625 0.1 A 48 TYR N N 15 118.964 0.1 A 49 LEU H H 1 7.908 0.02 A 49 LEU HA H 1 3.407 0.02 A 49 LEU HBx H 1 1.095 0.02 A 49 LEU HBy H 1 1.950 0.02 A 49 LEU HDx% H 1 0.805 0.02 A 49 LEU HDy% H 1 0.757 0.02 A 49 LEU HG H 1 2.258 0.02 A 49 LEU CA C 13 58.407 0.1 A 49 LEU CB C 13 40.517 0.1 A 49 LEU CDy C 13 25.657 0.1 A 49 LEU CDx C 13 22.213 0.1 A 49 LEU CG C 13 26.265 0.1 A 49 LEU N N 15 121.680 0.1 A 50 LYS H H 1 7.704 0.02 A 50 LYS HA H 1 4.144 0.02 A 50 LYS HBx H 1 1.637 0.02 A 50 LYS HBy H 1 1.707 0.02 A 50 LYS HDy H 1 1.574 0.02 A 50 LYS HE3 H 1 2.911 0.02 A 50 LYS HGy H 1 1.206 0.02 A 50 LYS HGx H 1 1.074 0.02 A 50 LYS CA C 13 57.093 0.1 A 50 LYS CB C 13 31.046 0.1 A 50 LYS CD C 13 28.436 0.1 A 50 LYS CE C 13 41.798 0.1 A 50 LYS CG C 13 24.481 0.1 A 50 LYS N N 15 114.896 0.1 A 51 THR H H 1 7.487 0.02 A 51 THR HA H 1 4.165 0.02 A 51 THR HB H 1 4.150 0.02 A 51 THR HG2% H 1 1.370 0.02 A 51 THR CA C 13 63.690 0.1 A 51 THR CB C 13 69.843 0.1 A 51 THR CG2 C 13 21.547 0.1 A 51 THR N N 15 109.206 0.1 A 52 LEU H H 1 7.317 0.02 A 52 LEU HA H 1 3.950 0.02 A 52 LEU HBy H 1 1.897 0.02 A 52 LEU HDx% H 1 0.350 0.02 A 52 LEU HDy% H 1 0.269 0.02 A 52 LEU CA C 13 55.974 0.1 A 52 LEU CB C 13 43.451 0.1 A 52 LEU CDy C 13 25.485 0.1 A 52 LEU CDx C 13 21.513 0.1 A 52 LEU N N 15 120.181 0.1 A 53 ALA H H 1 7.289 0.02 A 53 ALA HA H 1 4.438 0.02 A 53 ALA HB% H 1 0.941 0.02 A 53 ALA CA C 13 51.366 0.1 A 53 ALA CB C 13 22.575 0.1 A 53 ALA N N 15 117.648 0.1 A 54 GLY H H 1 8.111 0.02 A 54 GLY HAy H 1 4.053 0.02 A 54 GLY HAx H 1 3.724 0.02 A 54 GLY CA C 13 46.030 0.1 A 54 GLY N N 15 103.096 0.1 A 55 ASP H H 1 6.961 0.02 A 55 ASP HA H 1 4.909 0.02 A 55 ASP HBy H 1 2.595 0.02 A 55 ASP CA C 13 54.099 0.1 A 55 ASP CB C 13 42.163 0.1 A 55 ASP N N 15 119.370 0.1 A 56 VAL H H 1 8.067 0.02 A 56 VAL HA H 1 4.400 0.02 A 56 VAL HB H 1 1.788 0.02 A 56 VAL HGx% H 1 0.620 0.02 A 56 VAL HGy% H 1 0.592 0.02 A 56 VAL CA C 13 61.781 0.1 A 56 VAL CB C 13 34.110 0.1 A 56 VAL CGx C 13 21.468 0.1 A 56 VAL CGy C 13 21.693 0.1 A 56 VAL N N 15 124.687 0.1 A 57 HIS H H 1 9.124 0.02 A 57 HIS HA H 1 4.544 0.02 A 57 HIS HBy H 1 3.153 0.02 A 57 HIS CA C 13 55.731 0.1 A 57 HIS CB C 13 33.389 0.1 A 57 HIS N N 15 128.817 0.1 A 58 ILE H H 1 8.083 0.02 A 58 ILE HA H 1 4.925 0.02 A 58 ILE HB H 1 0.915 0.02 A 58 ILE HD1% H 1 0.677 0.02 A 58 ILE HG1y H 1 1.168 0.02 A 58 ILE HG1x H 1 0.767 0.02 A 58 ILE HG2% H 1 0.238 0.02 A 58 ILE CA C 13 59.532 0.1 A 58 ILE CB C 13 41.372 0.1 A 58 ILE CD1 C 13 15.334 0.1 A 58 ILE CG1 C 13 28.137 0.1 A 58 ILE CG2 C 13 17.188 0.1 A 58 ILE N N 15 122.981 0.1 A 59 VAL H H 1 6.898 0.02 A 59 VAL HA H 1 5.041 0.02 A 59 VAL HB H 1 1.444 0.02 A 59 VAL HGx% H 1 0.682 0.02 A 59 VAL HGy% H 1 0.649 0.02 A 59 VAL CA C 13 58.358 0.1 A 59 VAL CB C 13 34.223 0.1 A 59 VAL CGx C 13 17.727 0.1 A 59 VAL CGy C 13 22.321 0.1 A 59 VAL N N 15 116.150 0.1 A 60 ARG H H 1 7.827 0.02 A 60 ARG HA H 1 4.183 0.02 A 60 ARG HBy H 1 1.756 0.02 A 60 ARG HBx H 1 1.721 0.02 A 60 ARG HDy H 1 3.217 0.02 A 60 ARG HDx H 1 3.135 0.02 A 60 ARG CA C 13 57.850 0.1 A 60 ARG CB C 13 32.119 0.1 A 60 ARG CD C 13 43.427 0.1 A 60 ARG CG C 13 27.232 0.1 A 60 ARG N N 15 115.968 0.1 A 61 GLY H H 1 10.684 0.02 A 61 GLY CA C 13 43.357 0.1 A 61 GLY N N 15 118.298 0.1 A 62 ASP H H 1 9.095 0.02 A 62 ASP HA H 1 3.833 0.02 A 62 ASP HBy H 1 2.132 0.02 A 62 ASP HBx H 1 2.074 0.02 A 62 ASP CA C 13 55.039 0.1 A 62 ASP CB C 13 36.498 0.1 A 62 ASP N N 15 115.759 0.1 A 63 PHE H H 1 9.517 0.02 A 63 PHE HA H 1 4.560 0.02 A 63 PHE HBx H 1 2.336 0.02 A 63 PHE HBy H 1 3.507 0.02 A 63 PHE CA C 13 58.444 0.1 A 63 PHE CB C 13 41.476 0.1 A 63 PHE N N 15 117.496 0.1 A 64 ASP H H 1 6.818 0.02 A 64 ASP HA H 1 4.849 0.02 A 64 ASP CA C 13 57.664 0.1 A 64 ASP CB C 13 42.491 0.1 A 64 ASP N N 15 120.545 0.1 A 65 GLU H H 1 8.360 0.02 A 65 GLU HA H 1 4.221 0.02 A 65 GLU HBx H 1 2.084 0.02 A 65 GLU HBy H 1 2.148 0.02 A 65 GLU HGy H 1 2.432 0.02 A 65 GLU CA C 13 57.108 0.1 A 65 GLU CB C 13 30.114 0.1 A 65 GLU CG C 13 36.550 0.1 A 65 GLU N N 15 120.504 0.1 A 66 ASN H H 1 8.014 0.02 A 66 ASN HA H 1 4.478 0.02 A 66 ASN HBy H 1 2.596 0.02 A 66 ASN HBx H 1 2.497 0.02 A 66 ASN HD2x H 1 6.713 0.02 A 66 ASN HD2y H 1 6.923 0.02 A 66 ASN CA C 13 53.078 0.1 A 66 ASN CB C 13 37.658 0.1 A 66 ASN N N 15 117.519 0.1 A 66 ASN ND2 N 15 111.497 0.1 A 67 LEU H H 1 7.942 0.02 A 67 LEU HA H 1 4.151 0.02 A 67 LEU HBx H 1 1.383 0.02 A 67 LEU HBy H 1 1.478 0.02 A 67 LEU HDx% H 1 0.869 0.02 A 67 LEU HDy% H 1 0.765 0.02 A 67 LEU HG H 1 1.577 0.02 A 67 LEU CA C 13 54.717 0.1 A 67 LEU CB C 13 41.287 0.1 A 67 LEU CDy C 13 25.220 0.1 A 67 LEU CDx C 13 22.601 0.1 A 67 LEU CG C 13 27.159 0.1 A 67 LEU N N 15 122.006 0.1 A 68 ASN H H 1 8.270 0.02 A 68 ASN HA H 1 4.590 0.02 A 68 ASN HBx H 1 2.602 0.02 A 68 ASN HBy H 1 2.752 0.02 A 68 ASN HD2x H 1 6.868 0.02 A 68 ASN HD2y H 1 7.457 0.02 A 68 ASN CA C 13 53.477 0.1 A 68 ASN CB C 13 38.318 0.1 A 68 ASN N N 15 115.941 0.1 A 68 ASN ND2 N 15 113.372 0.1 A 69 TYR H H 1 7.005 0.02 A 69 TYR HA H 1 4.953 0.02 A 69 TYR HBx H 1 2.376 0.02 A 69 TYR HBy H 1 3.084 0.02 A 69 TYR HD1 H 1 6.915 0.02 A 69 TYR HD2 H 1 6.915 0.02 A 69 TYR HE1 H 1 6.605 0.02 A 69 TYR HE2 H 1 6.605 0.02 A 69 TYR CA C 13 54.707 0.1 A 69 TYR CB C 13 36.532 0.1 A 69 TYR CD2 C 13 132.039 0.1 A 69 TYR CE2 C 13 118.402 0.1 A 69 TYR N N 15 120.469 0.1 A 70 PRO HA H 1 4.698 0.02 A 70 PRO HBx H 1 2.284 0.02 A 70 PRO HBy H 1 2.501 0.02 A 70 PRO HGx H 1 2.151 0.02 A 70 PRO HGy H 1 2.235 0.02 A 70 PRO CA C 13 62.384 0.1 A 70 PRO CB C 13 32.114 0.1 A 70 PRO CD C 13 49.879 0.1 A 70 PRO CG C 13 27.409 0.1 A 71 GLU H H 1 9.054 0.02 A 71 GLU HA H 1 4.072 0.02 A 71 GLU HBy H 1 2.145 0.02 A 71 GLU HGx H 1 2.391 0.02 A 71 GLU HGy H 1 2.498 0.02 A 71 GLU CA C 13 59.572 0.1 A 71 GLU CB C 13 30.649 0.1 A 71 GLU CG C 13 37.322 0.1 A 71 GLU N N 15 119.723 0.1 A 72 GLN H H 1 7.563 0.02 A 72 GLN HA H 1 5.334 0.02 A 72 GLN HBx H 1 2.074 0.02 A 72 GLN HBy H 1 2.132 0.02 A 72 GLN HGx H 1 2.262 0.02 A 72 GLN HGy H 1 2.291 0.02 A 72 GLN CA C 13 53.684 0.1 A 72 GLN CB C 13 31.164 0.1 A 72 GLN CG C 13 31.975 0.1 A 72 GLN N N 15 109.806 0.1 A 73 LYS H H 1 8.470 0.02 A 73 LYS HA H 1 4.476 0.02 A 73 LYS HBy H 1 1.523 0.02 A 73 LYS HE3 H 1 3.240 0.02 A 73 LYS HGy H 1 1.353 0.02 A 73 LYS CA C 13 56.054 0.1 A 73 LYS CB C 13 37.735 0.1 A 73 LYS CD C 13 29.565 0.1 A 73 LYS CE C 13 43.414 0.1 A 73 LYS CG C 13 25.427 0.1 A 73 LYS N N 15 119.199 0.1 A 74 VAL H H 1 8.113 0.02 A 74 VAL HA H 1 4.877 0.02 A 74 VAL HB H 1 1.789 0.02 A 74 VAL HGx% H 1 0.677 0.02 A 74 VAL HGy% H 1 0.704 0.02 A 74 VAL CA C 13 61.287 0.1 A 74 VAL CB C 13 33.521 0.1 A 74 VAL CGy C 13 21.294 0.1 A 74 VAL CGx C 13 21.161 0.1 A 74 VAL N N 15 122.153 0.1 A 75 VAL H H 1 9.380 0.02 A 75 VAL HA H 1 4.309 0.02 A 75 VAL HB H 1 1.563 0.02 A 75 VAL HGx% H 1 0.253 0.02 A 75 VAL HGy% H 1 0.295 0.02 A 75 VAL CA C 13 59.896 0.1 A 75 VAL CB C 13 34.958 0.1 A 75 VAL CGy C 13 19.833 0.1 A 75 VAL CGx C 13 19.320 0.1 A 75 VAL N N 15 126.308 0.1 A 76 THR H H 1 8.469 0.02 A 76 THR HA H 1 5.123 0.02 A 76 THR HB H 1 3.944 0.02 A 76 THR HG2% H 1 1.048 0.02 A 76 THR CA C 13 61.757 0.1 A 76 THR CB C 13 69.573 0.1 A 76 THR CG2 C 13 21.190 0.1 A 76 THR N N 15 121.750 0.1 A 77 VAL H H 1 8.768 0.02 A 77 VAL HA H 1 3.964 0.02 A 77 VAL HB H 1 1.751 0.02 A 77 VAL HGx% H 1 0.670 0.02 A 77 VAL HGy% H 1 0.320 0.02 A 77 VAL CA C 13 61.321 0.1 A 77 VAL CB C 13 33.435 0.1 A 77 VAL CGy C 13 22.000 0.1 A 77 VAL CGx C 13 19.613 0.1 A 77 VAL N N 15 127.764 0.1 A 78 GLY H H 1 8.860 0.02 A 78 GLY HAx H 1 3.648 0.02 A 78 GLY HAy H 1 4.041 0.02 A 78 GLY CA C 13 46.601 0.1 A 78 GLY N N 15 115.229 0.1 A 79 GLN H H 1 9.274 0.02 A 79 GLN HA H 1 4.114 0.02 A 79 GLN HBy H 1 1.954 0.02 A 79 GLN HBx H 1 1.440 0.02 A 79 GLN HGy H 1 2.177 0.02 A 79 GLN HGx H 1 2.096 0.02 A 79 GLN CA C 13 56.062 0.1 A 79 GLN CB C 13 28.639 0.1 A 79 GLN CG C 13 34.117 0.1 A 79 GLN N N 15 124.924 0.1 A 80 PHE H H 1 8.398 0.02 A 80 PHE HA H 1 4.570 0.02 A 80 PHE HBx H 1 2.632 0.02 A 80 PHE HBy H 1 3.193 0.02 A 80 PHE HD1 H 1 7.204 0.02 A 80 PHE HD2 H 1 7.204 0.02 A 80 PHE HE1 H 1 7.351 0.02 A 80 PHE HE2 H 1 7.351 0.02 A 80 PHE CA C 13 58.843 0.1 A 80 PHE CB C 13 41.577 0.1 A 80 PHE CD2 C 13 131.254 0.1 A 80 PHE CE2 C 13 131.793 0.1 A 80 PHE N N 15 118.373 0.1 A 81 LYS H H 1 9.451 0.02 A 81 LYS HA H 1 4.769 0.02 A 81 LYS HBx H 1 1.603 0.02 A 81 LYS HBy H 1 1.867 0.02 A 81 LYS HE2 H 1 2.911 0.02 A 81 LYS HE3 H 1 2.972 0.02 A 81 LYS HGy H 1 1.378 0.02 A 81 LYS HGx H 1 1.293 0.02 A 81 LYS CA C 13 56.043 0.1 A 81 LYS CB C 13 34.326 0.1 A 81 LYS CD C 13 29.437 0.1 A 81 LYS CE C 13 41.988 0.1 A 81 LYS CG C 13 24.955 0.1 A 81 LYS N N 15 123.498 0.1 A 82 ILE H H 1 9.424 0.02 A 82 ILE HA H 1 5.078 0.02 A 82 ILE HB H 1 1.651 0.02 A 82 ILE HD1% H 1 0.596 0.02 A 82 ILE HG2% H 1 0.668 0.02 A 82 ILE CA C 13 60.379 0.1 A 82 ILE CB C 13 40.274 0.1 A 82 ILE CD1 C 13 13.574 0.1 A 82 ILE CG1 C 13 27.427 0.1 A 82 ILE CG2 C 13 17.901 0.1 A 82 ILE N N 15 126.770 0.1 A 83 GLY H H 1 9.599 0.02 A 83 GLY HAy H 1 5.053 0.02 A 83 GLY HAx H 1 3.143 0.02 A 83 GLY CA C 13 44.411 0.1 A 83 GLY N N 15 113.610 0.1 A 84 LEU H H 1 8.663 0.02 A 84 LEU HA H 1 5.350 0.02 A 84 LEU HBx H 1 1.038 0.02 A 84 LEU HBy H 1 1.605 0.02 A 84 LEU HDx% H 1 0.613 0.02 A 84 LEU HDy% H 1 0.643 0.02 A 84 LEU HG H 1 1.433 0.02 A 84 LEU CA C 13 54.175 0.1 A 84 LEU CB C 13 47.322 0.1 A 84 LEU CDx C 13 24.172 0.1 A 84 LEU CDy C 13 25.715 0.1 A 84 LEU CG C 13 26.844 0.1 A 84 LEU N N 15 124.964 0.1 A 85 ILE H H 1 8.392 0.02 A 85 ILE HA H 1 4.688 0.02 A 85 ILE HB H 1 1.977 0.02 A 85 ILE HD1% H 1 0.825 0.02 A 85 ILE HG2% H 1 0.886 0.02 A 85 ILE CA C 13 61.441 0.1 A 85 ILE CB C 13 41.990 0.1 A 85 ILE CD1 C 13 14.658 0.1 A 85 ILE CG1 C 13 28.547 0.1 A 85 ILE CG2 C 13 14.670 0.1 A 85 ILE N N 15 121.700 0.1 A 86 HIS H H 1 9.618 0.02 A 86 HIS HA H 1 4.830 0.02 A 86 HIS CA C 13 62.233 0.1 A 86 HIS N N 15 124.078 0.1 A 87 GLY H H 1 7.999 0.02 A 87 GLY HAx H 1 3.340 0.02 A 87 GLY HAy H 1 4.552 0.02 A 87 GLY CA C 13 45.194 0.1 A 87 GLY N N 15 100.660 0.1 A 88 HIS HA H 1 3.567 0.02 A 88 HIS HBx H 1 2.961 0.02 A 88 HIS HBy H 1 3.013 0.02 A 88 HIS CA C 13 58.492 0.1 A 88 HIS CB C 13 28.358 0.1 A 89 GLN H H 1 9.114 0.02 A 89 GLN HA H 1 4.229 0.02 A 89 GLN CA C 13 56.671 0.1 A 89 GLN N N 15 120.139 0.1 A 90 VAL H H 1 7.084 0.02 A 90 VAL HA H 1 3.886 0.02 A 90 VAL HB H 1 2.361 0.02 A 90 VAL HGx% H 1 0.955 0.02 A 90 VAL HGy% H 1 0.821 0.02 A 90 VAL CA C 13 62.526 0.1 A 90 VAL CB C 13 31.887 0.1 A 90 VAL CGy C 13 21.129 0.1 A 90 VAL CGx C 13 21.067 0.1 A 90 VAL N N 15 123.774 0.1 A 91 ILE H H 1 7.912 0.02 A 91 ILE HA H 1 4.363 0.02 A 91 ILE HB H 1 1.699 0.02 A 91 ILE HD1% H 1 0.796 0.02 A 91 ILE HG1x H 1 1.112 0.02 A 91 ILE HG1y H 1 1.382 0.02 A 91 ILE HG2% H 1 0.742 0.02 A 91 ILE CA C 13 56.593 0.1 A 91 ILE CB C 13 41.281 0.1 A 91 ILE CD1 C 13 12.219 0.1 A 91 ILE CG1 C 13 26.767 0.1 A 91 ILE CG2 C 13 16.622 0.1 A 91 ILE N N 15 124.100 0.1 A 92 PRO HA H 1 4.582 0.02 A 92 PRO HBx H 1 1.982 0.02 A 92 PRO HBy H 1 2.327 0.02 A 92 PRO HDy H 1 3.527 0.02 A 92 PRO HDx H 1 3.408 0.02 A 92 PRO HGy H 1 1.856 0.02 A 92 PRO CA C 13 62.894 0.1 A 92 PRO CB C 13 34.098 0.1 A 92 PRO CD C 13 49.890 0.1 A 92 PRO CG C 13 25.587 0.1 A 93 TRP H H 1 7.919 0.02 A 93 TRP HD1 H 1 7.908 0.02 A 93 TRP HE1 H 1 10.291 0.02 A 93 TRP HE3 H 1 7.662 0.02 A 93 TRP HH2 H 1 7.296 0.02 A 93 TRP HZ2 H 1 7.688 0.02 A 93 TRP HZ3 H 1 7.152 0.02 A 93 TRP CA C 13 57.309 0.1 A 93 TRP CD1 C 13 128.162 0.1 A 93 TRP CE3 C 13 121.069 0.1 A 93 TRP CH2 C 13 124.772 0.1 A 93 TRP CZ2 C 13 114.598 0.1 A 93 TRP CZ3 C 13 122.266 0.1 A 93 TRP N N 15 119.983 0.1 A 93 TRP NE1 N 15 129.803 0.1 A 94 GLY HAy H 1 3.975 0.02 A 94 GLY HAx H 1 3.543 0.02 A 94 GLY CA C 13 45.637 0.1 A 95 ASP H H 1 7.509 0.02 A 95 ASP HA H 1 4.284 0.02 A 95 ASP HBx H 1 2.538 0.02 A 95 ASP HBy H 1 2.732 0.02 A 95 ASP CA C 13 55.109 0.1 A 95 ASP CB C 13 43.806 0.1 A 95 ASP N N 15 119.753 0.1 A 96 MET H H 1 8.635 0.02 A 96 MET HA H 1 3.872 0.02 A 96 MET HBy H 1 1.772 0.02 A 96 MET CA C 13 58.946 0.1 A 96 MET N N 15 127.918 0.1 A 97 ALA H H 1 8.296 0.02 A 97 ALA HA H 1 4.040 0.02 A 97 ALA HB% H 1 1.440 0.02 A 97 ALA CA C 13 55.246 0.1 A 97 ALA CB C 13 17.616 0.1 A 97 ALA N N 15 120.877 0.1 A 98 SER H H 1 8.005 0.02 A 98 SER CA C 13 62.156 0.1 A 98 SER N N 15 115.633 0.1 A 99 LEU H H 1 8.259 0.02 A 99 LEU HA H 1 4.290 0.02 A 99 LEU HBx H 1 0.824 0.02 A 99 LEU HBy H 1 1.128 0.02 A 99 LEU HDx% H 1 0.856 0.02 A 99 LEU HDy% H 1 0.744 0.02 A 99 LEU CA C 13 58.342 0.1 A 99 LEU CB C 13 41.295 0.1 A 99 LEU CDx C 13 22.509 0.1 A 99 LEU CDy C 13 25.266 0.1 A 99 LEU N N 15 124.188 0.1 A 100 ALA H H 1 8.475 0.02 A 100 ALA HA H 1 4.888 0.02 A 100 ALA HB% H 1 1.478 0.02 A 100 ALA CA C 13 54.538 0.1 A 100 ALA CB C 13 17.602 0.1 A 100 ALA N N 15 122.392 0.1 A 101 LEU H H 1 7.570 0.02 A 101 LEU HA H 1 4.121 0.02 A 101 LEU HBy H 1 1.859 0.02 A 101 LEU HBx H 1 1.684 0.02 A 101 LEU HDx% H 1 0.895 0.02 A 101 LEU HDy% H 1 0.956 0.02 A 101 LEU HG H 1 1.763 0.02 A 101 LEU CA C 13 58.180 0.1 A 101 LEU CB C 13 41.534 0.1 A 101 LEU CDx C 13 23.842 0.1 A 101 LEU CDy C 13 24.798 0.1 A 101 LEU CG C 13 26.906 0.1 A 101 LEU N N 15 119.226 0.1 A 102 LEU H H 1 7.440 0.02 A 102 LEU HA H 1 3.775 0.02 A 102 LEU HBx H 1 1.034 0.02 A 102 LEU HBy H 1 1.917 0.02 A 102 LEU HDx% H 1 0.688 0.02 A 102 LEU HDy% H 1 0.801 0.02 A 102 LEU HG H 1 1.593 0.02 A 102 LEU CA C 13 57.497 0.1 A 102 LEU CB C 13 41.312 0.1 A 102 LEU CDx C 13 23.199 0.1 A 102 LEU CDy C 13 25.955 0.1 A 102 LEU CG C 13 26.846 0.1 A 102 LEU N N 15 120.724 0.1 A 103 GLN H H 1 8.448 0.02 A 103 GLN HA H 1 3.678 0.02 A 103 GLN HBy H 1 2.377 0.02 A 103 GLN HBx H 1 2.234 0.02 A 103 GLN CA C 13 60.675 0.1 A 103 GLN CB C 13 27.962 0.1 A 103 GLN CG C 13 33.419 0.1 A 103 GLN N N 15 120.109 0.1 A 104 ARG H H 1 7.654 0.02 A 104 ARG HA H 1 4.018 0.02 A 104 ARG HBx H 1 1.887 0.02 A 104 ARG HBy H 1 1.959 0.02 A 104 ARG HDx H 1 3.243 0.02 A 104 ARG HDy H 1 3.317 0.02 A 104 ARG CA C 13 58.862 0.1 A 104 ARG CB C 13 30.384 0.1 A 104 ARG CD C 13 43.842 0.1 A 104 ARG CG C 13 27.232 0.1 A 104 ARG N N 15 118.170 0.1 A 105 GLN H H 1 8.144 0.02 A 105 GLN HA H 1 4.009 0.02 A 105 GLN HBy H 1 2.117 0.02 A 105 GLN HBx H 1 1.903 0.02 A 105 GLN HGy H 1 2.426 0.02 A 105 GLN HGx H 1 2.184 0.02 A 105 GLN CA C 13 58.738 0.1 A 105 GLN CB C 13 28.790 0.1 A 105 GLN CG C 13 33.781 0.1 A 105 GLN N N 15 120.320 0.1 A 106 PHE H H 1 8.523 0.02 A 106 PHE HA H 1 4.587 0.02 A 106 PHE HBx H 1 2.959 0.02 A 106 PHE HBy H 1 3.207 0.02 A 106 PHE CA C 13 56.461 0.1 A 106 PHE CB C 13 39.812 0.1 A 106 PHE N N 15 116.499 0.1 A 107 ASP H H 1 8.370 0.02 A 107 ASP HA H 1 4.310 0.02 A 107 ASP HBx H 1 2.338 0.02 A 107 ASP HBy H 1 3.240 0.02 A 107 ASP CA C 13 55.019 0.1 A 107 ASP CB C 13 39.384 0.1 A 107 ASP N N 15 120.099 0.1 A 108 VAL H H 1 6.960 0.02 A 108 VAL HA H 1 4.556 0.02 A 108 VAL HB H 1 2.516 0.02 A 108 VAL HGx% H 1 0.799 0.02 A 108 VAL HGy% H 1 0.860 0.02 A 108 VAL CA C 13 58.609 0.1 A 108 VAL CB C 13 33.474 0.1 A 108 VAL CGy C 13 23.936 0.1 A 108 VAL CGx C 13 18.818 0.1 A 108 VAL N N 15 105.637 0.1 A 109 ASP H H 1 8.801 0.02 A 109 ASP HA H 1 4.689 0.02 A 109 ASP CA C 13 57.468 0.1 A 109 ASP N N 15 119.627 0.1 A 110 ILE H H 1 7.376 0.02 A 110 ILE HA H 1 5.198 0.02 A 110 ILE HB H 1 1.582 0.02 A 110 ILE HD1% H 1 0.582 0.02 A 110 ILE HG2% H 1 0.658 0.02 A 110 ILE CA C 13 58.191 0.1 A 110 ILE CB C 13 42.558 0.1 A 110 ILE CD1 C 13 13.845 0.1 A 110 ILE CG1 C 13 27.345 0.1 A 110 ILE CG2 C 13 16.282 0.1 A 110 ILE N N 15 113.893 0.1 A 111 LEU H H 1 8.654 0.02 A 111 LEU HA H 1 4.801 0.02 A 111 LEU HDx% H 1 0.970 0.02 A 111 LEU HDy% H 1 0.774 0.02 A 111 LEU CA C 13 53.212 0.1 A 111 LEU CB C 13 44.503 0.1 A 111 LEU CDy C 13 27.885 0.1 A 111 LEU CDx C 13 23.626 0.1 A 111 LEU N N 15 129.131 0.1 A 112 ILE H H 1 9.020 0.02 A 112 ILE HA H 1 5.396 0.02 A 112 ILE HB H 1 1.867 0.02 A 112 ILE HD1% H 1 0.699 0.02 A 112 ILE HG1y H 1 1.502 0.02 A 112 ILE HG2% H 1 0.632 0.02 A 112 ILE CA C 13 59.274 0.1 A 112 ILE CB C 13 38.609 0.1 A 112 ILE CD1 C 13 15.798 0.1 A 112 ILE CG1 C 13 27.987 0.1 A 112 ILE CG2 C 13 18.453 0.1 A 112 ILE N N 15 129.972 0.1 A 113 SER H H 1 8.604 0.02 A 113 SER HA H 1 5.745 0.02 A 113 SER HBx H 1 3.584 0.02 A 113 SER HBy H 1 4.063 0.02 A 113 SER CA C 13 56.906 0.1 A 113 SER CB C 13 66.476 0.1 A 113 SER N N 15 119.936 0.1 A 114 GLY H H 1 7.263 0.02 A 114 GLY HAx H 1 3.616 0.02 A 114 GLY HAy H 1 4.955 0.02 A 114 GLY CA C 13 46.635 0.1 A 114 GLY N N 15 104.797 0.1 A 115 HIS H H 1 9.714 0.02 A 115 HIS HA H 1 4.332 0.02 A 115 HIS N N 15 125.687 0.1 A 116 THR H H 1 8.256 0.02 A 116 THR HA H 1 3.561 0.02 A 116 THR HB H 1 4.180 0.02 A 116 THR HG2% H 1 1.178 0.02 A 116 THR CA C 13 62.873 0.1 A 116 THR CB C 13 69.101 0.1 A 116 THR CG2 C 13 21.998 0.1 A 116 THR N N 15 109.900 0.1 A 117 HIS H H 1 9.194 0.02 A 117 HIS HA H 1 3.931 0.02 A 117 HIS HBx H 1 3.485 0.02 A 117 HIS HBy H 1 3.631 0.02 A 117 HIS HE1 H 1 8.363 0.02 A 117 HIS CA C 13 56.305 0.1 A 117 HIS CB C 13 26.403 0.1 A 117 HIS CE1 C 13 139.327 0.1 A 117 HIS N N 15 113.602 0.1 A 118 LYS H H 1 7.587 0.02 A 118 LYS HA H 1 4.687 0.02 A 118 LYS HBy H 1 1.650 0.02 A 118 LYS HBx H 1 1.506 0.02 A 118 LYS HDy H 1 1.655 0.02 A 118 LYS HE3 H 1 2.943 0.02 A 118 LYS HGx H 1 1.273 0.02 A 118 LYS HGy H 1 1.381 0.02 A 118 LYS CA C 13 55.120 0.1 A 118 LYS CB C 13 34.296 0.1 A 118 LYS CD C 13 28.989 0.1 A 118 LYS CE C 13 42.132 0.1 A 118 LYS CG C 13 24.345 0.1 A 118 LYS N N 15 119.587 0.1 A 119 PHE H H 1 8.408 0.02 A 119 PHE HA H 1 4.692 0.02 A 119 PHE HBx H 1 2.561 0.02 A 119 PHE HBy H 1 3.043 0.02 A 119 PHE HD1 H 1 7.143 0.02 A 119 PHE HD2 H 1 7.143 0.02 A 119 PHE HE1 H 1 7.061 0.02 A 119 PHE HE2 H 1 7.061 0.02 A 119 PHE CA C 13 57.543 0.1 A 119 PHE CB C 13 38.761 0.1 A 119 PHE CD1 C 13 132.577 0.1 A 119 PHE CE2 C 13 130.672 0.1 A 119 PHE N N 15 125.291 0.1 A 120 GLU H H 1 8.376 0.02 A 120 GLU HA H 1 3.703 0.02 A 120 GLU HBx H 1 1.695 0.02 A 120 GLU HBy H 1 1.970 0.02 A 120 GLU HGy H 1 2.348 0.02 A 120 GLU HGx H 1 2.070 0.02 A 120 GLU CA C 13 55.764 0.1 A 120 GLU CB C 13 34.262 0.1 A 120 GLU CG C 13 36.064 0.1 A 120 GLU N N 15 126.012 0.1 A 121 ALA H H 1 8.167 0.02 A 121 ALA HA H 1 5.134 0.02 A 121 ALA HB% H 1 1.262 0.02 A 121 ALA CA C 13 51.525 0.1 A 121 ALA CB C 13 20.811 0.1 A 121 ALA N N 15 122.689 0.1 A 122 PHE H H 1 8.201 0.02 A 122 PHE HA H 1 4.924 0.02 A 122 PHE HBx H 1 3.067 0.02 A 122 PHE HBy H 1 3.258 0.02 A 122 PHE HD1 H 1 6.766 0.02 A 122 PHE HD2 H 1 6.766 0.02 A 122 PHE HE1 H 1 6.779 0.02 A 122 PHE HE2 H 1 6.779 0.02 A 122 PHE HZ H 1 6.674 0.02 A 122 PHE CA C 13 56.335 0.1 A 122 PHE CB C 13 40.654 0.1 A 122 PHE CD2 C 13 132.147 0.1 A 122 PHE CE2 C 13 131.046 0.1 A 122 PHE CZ C 13 129.487 0.1 A 122 PHE N N 15 117.901 0.1 A 123 GLU H H 1 8.932 0.02 A 123 GLU HA H 1 5.687 0.02 A 123 GLU HBy H 1 2.391 0.02 A 123 GLU HBx H 1 2.293 0.02 A 123 GLU HGx H 1 2.416 0.02 A 123 GLU HGy H 1 2.554 0.02 A 123 GLU CA C 13 54.197 0.1 A 123 GLU CB C 13 32.671 0.1 A 123 GLU CG C 13 36.958 0.1 A 123 GLU N N 15 121.169 0.1 A 124 HIS H H 1 9.398 0.02 A 124 HIS CA C 13 56.999 0.1 A 124 HIS CB C 13 33.098 0.1 A 124 HIS N N 15 125.076 0.1 A 125 GLU HA H 1 3.744 0.02 A 125 GLU HBx H 1 1.755 0.02 A 125 GLU HBy H 1 2.084 0.02 A 125 GLU CA C 13 57.575 0.1 A 125 GLU CB C 13 27.468 0.1 A 125 GLU CG C 13 35.849 0.1 A 126 ASN H H 1 9.178 0.02 A 126 ASN HA H 1 4.809 0.02 A 126 ASN HBx H 1 3.135 0.02 A 126 ASN HBy H 1 3.282 0.02 A 126 ASN HD2x H 1 7.032 0.02 A 126 ASN HD2y H 1 7.685 0.02 A 126 ASN CA C 13 55.595 0.1 A 126 ASN CB C 13 38.131 0.1 A 126 ASN N N 15 108.482 0.1 A 126 ASN ND2 N 15 111.949 0.1 A 127 LYS H H 1 8.158 0.02 A 127 LYS CA C 13 53.664 0.1 A 127 LYS CB C 13 33.374 0.1 A 127 LYS N N 15 121.541 0.1 A 128 PHE H H 1 7.991 0.02 A 128 PHE HA H 1 5.069 0.02 A 128 PHE HD1 H 1 7.180 0.02 A 128 PHE HD2 H 1 7.180 0.02 A 128 PHE HE1 H 1 7.071 0.02 A 128 PHE HE2 H 1 7.071 0.02 A 128 PHE CA C 13 55.557 0.1 A 128 PHE CD2 C 13 128.976 0.1 A 128 PHE CE2 C 13 129.234 0.1 A 128 PHE N N 15 123.215 0.1 A 129 TYR H H 1 8.087 0.02 A 129 TYR HA H 1 5.171 0.02 A 129 TYR HBy H 1 3.194 0.02 A 129 TYR HBx H 1 2.481 0.02 A 129 TYR HD1 H 1 6.757 0.02 A 129 TYR HD2 H 1 6.757 0.02 A 129 TYR HE1 H 1 6.614 0.02 A 129 TYR HE2 H 1 6.614 0.02 A 129 TYR CA C 13 56.649 0.1 A 129 TYR CB C 13 40.529 0.1 A 129 TYR CD1 C 13 133.636 0.1 A 129 TYR CE1 C 13 116.753 0.1 A 129 TYR N N 15 126.029 0.1 A 130 ILE HA H 1 4.455 0.02 A 130 ILE HB H 1 1.325 0.02 A 130 ILE HD1% H 1 0.801 0.02 A 130 ILE HG1y H 1 0.469 0.02 A 130 ILE HG2% H 1 0.715 0.02 A 130 ILE CA C 13 58.904 0.1 A 130 ILE CB C 13 43.034 0.1 A 130 ILE CD1 C 13 15.464 0.1 A 130 ILE CG1 C 13 27.625 0.1 A 130 ILE CG2 C 13 17.487 0.1 A 131 ASN H H 1 8.866 0.02 A 131 ASN HA H 1 6.273 0.02 A 131 ASN HBx H 1 2.659 0.02 A 131 ASN HBy H 1 3.009 0.02 A 131 ASN CA C 13 48.672 0.1 A 131 ASN CB C 13 41.236 0.1 A 131 ASN N N 15 126.013 0.1 A 132 PRO HA H 1 4.553 0.02 A 133 GLY H H 1 8.674 0.02 A 133 GLY HAx H 1 3.163 0.02 A 133 GLY HAy H 1 4.077 0.02 A 133 GLY CA C 13 44.342 0.1 A 133 GLY N N 15 107.243 0.1 A 134 SER H H 1 10.173 0.02 A 134 SER HA H 1 5.407 0.02 A 134 SER HBx H 1 3.170 0.02 A 134 SER HBy H 1 3.670 0.02 A 134 SER CA C 13 55.583 0.1 A 134 SER CB C 13 63.684 0.1 A 134 SER N N 15 118.056 0.1 A 135 ALA H H 1 8.013 0.02 A 135 ALA HA H 1 5.185 0.02 A 135 ALA HB% H 1 1.600 0.02 A 135 ALA CA C 13 54.906 0.1 A 135 ALA CB C 13 19.251 0.1 A 135 ALA N N 15 133.414 0.1 A 136 THR H H 1 7.550 0.02 A 136 THR HA H 1 4.751 0.02 A 136 THR HB H 1 4.371 0.02 A 136 THR HG2% H 1 1.170 0.02 A 136 THR CA C 13 59.584 0.1 A 136 THR CB C 13 69.746 0.1 A 136 THR CG2 C 13 23.698 0.1 A 136 THR N N 15 97.590 0.1 A 137 GLY H H 1 7.883 0.02 A 137 GLY HAy H 1 3.961 0.02 A 137 GLY HAx H 1 3.399 0.02 A 137 GLY CA C 13 46.652 0.1 A 137 GLY N N 15 110.228 0.1 A 138 ALA H H 1 7.783 0.02 A 138 ALA HA H 1 4.047 0.02 A 138 ALA HB% H 1 1.072 0.02 A 138 ALA CA C 13 52.344 0.1 A 138 ALA CB C 13 19.813 0.1 A 138 ALA N N 15 122.860 0.1 A 139 TYR H H 1 7.271 0.02 A 139 TYR HA H 1 4.531 0.02 A 139 TYR HBy H 1 3.227 0.02 A 139 TYR HBx H 1 3.069 0.02 A 139 TYR HD1 H 1 7.110 0.02 A 139 TYR HD2 H 1 7.110 0.02 A 139 TYR HE1 H 1 6.757 0.02 A 139 TYR HE2 H 1 6.757 0.02 A 139 TYR CA C 13 57.079 0.1 A 139 TYR CB C 13 38.054 0.1 A 139 TYR CD1 C 13 134.104 0.1 A 139 TYR CE1 C 13 117.544 0.1 A 139 TYR N N 15 117.929 0.1 A 140 ASN H H 1 8.174 0.02 A 140 ASN HA H 1 4.250 0.02 A 140 ASN HBx H 1 1.709 0.02 A 140 ASN HBy H 1 2.683 0.02 A 140 ASN HD2y H 1 6.645 0.02 A 140 ASN HD2x H 1 6.002 0.02 A 140 ASN CA C 13 51.342 0.1 A 140 ASN CB C 13 39.003 0.1 A 140 ASN N N 15 117.065 0.1 A 140 ASN ND2 N 15 109.956 0.1 A 141 ALA H H 1 8.101 0.02 A 141 ALA HA H 1 4.168 0.02 A 141 ALA HB% H 1 1.486 0.02 A 141 ALA CA C 13 54.341 0.1 A 141 ALA CB C 13 18.667 0.1 A 141 ALA N N 15 118.730 0.1 A 142 LEU H H 1 7.832 0.02 A 142 LEU HA H 1 4.464 0.02 A 142 LEU HBx H 1 1.639 0.02 A 142 LEU HBy H 1 1.728 0.02 A 142 LEU HDx% H 1 0.867 0.02 A 142 LEU HDy% H 1 0.953 0.02 A 142 LEU CA C 13 55.454 0.1 A 142 LEU CB C 13 44.026 0.1 A 142 LEU CDx C 13 23.089 0.1 A 142 LEU CDy C 13 25.030 0.1 A 142 LEU CG C 13 27.099 0.1 A 142 LEU N N 15 116.317 0.1 A 143 GLU H H 1 8.276 0.02 A 143 GLU HA H 1 4.631 0.02 A 143 GLU HBy H 1 1.998 0.02 A 143 GLU HGy H 1 2.273 0.02 A 143 GLU HGx H 1 2.168 0.02 A 143 GLU CA C 13 55.882 0.1 A 143 GLU CB C 13 32.731 0.1 A 143 GLU CG C 13 36.172 0.1 A 143 GLU N N 15 119.793 0.1 A 144 THR H H 1 8.145 0.02 A 144 THR HA H 1 4.569 0.02 A 144 THR HB H 1 4.310 0.02 A 144 THR HG2% H 1 1.143 0.02 A 144 THR CA C 13 61.293 0.1 A 144 THR CB C 13 69.941 0.1 A 144 THR CG2 C 13 21.494 0.1 A 144 THR N N 15 111.291 0.1 A 145 ASN H H 1 8.878 0.02 A 145 ASN HA H 1 4.918 0.02 A 145 ASN HBx H 1 2.809 0.02 A 145 ASN HBy H 1 2.906 0.02 A 145 ASN HD2x H 1 6.895 0.02 A 145 ASN HD2y H 1 7.693 0.02 A 145 ASN CA C 13 53.118 0.1 A 145 ASN CB C 13 37.565 0.1 A 145 ASN N N 15 123.336 0.1 A 145 ASN ND2 N 15 112.950 0.1 A 146 ILE H H 1 7.976 0.02 A 146 ILE HA H 1 4.268 0.02 A 146 ILE HB H 1 1.758 0.02 A 146 ILE HD1% H 1 0.847 0.02 A 146 ILE HG2% H 1 1.146 0.02 A 146 ILE CA C 13 58.382 0.1 A 146 ILE CB C 13 38.354 0.1 A 146 ILE CD1 C 13 10.161 0.1 A 146 ILE CG1 C 13 26.450 0.1 A 146 ILE CG2 C 13 18.751 0.1 A 146 ILE N N 15 123.901 0.1 A 147 ILE H H 1 8.774 0.02 A 147 ILE HA H 1 4.575 0.02 A 147 ILE HB H 1 1.982 0.02 A 147 ILE HD1% H 1 0.964 0.02 A 147 ILE HG2% H 1 1.049 0.02 A 147 ILE CA C 13 58.318 0.1 A 147 ILE CB C 13 40.081 0.1 A 147 ILE CD1 C 13 12.839 0.1 A 147 ILE CG1 C 13 27.685 0.1 A 147 ILE CG2 C 13 17.321 0.1 A 147 ILE N N 15 130.363 0.1 A 148 PRO HA H 1 4.470 0.02 A 148 PRO HBy H 1 1.867 0.02 A 148 PRO HDy H 1 3.672 0.02 A 148 PRO HGy H 1 2.030 0.02 A 148 PRO CA C 13 63.079 0.1 A 148 PRO CB C 13 32.037 0.1 A 148 PRO CD C 13 50.606 0.1 A 148 PRO CG C 13 27.399 0.1 A 149 SER H H 1 8.544 0.02 A 149 SER HA H 1 6.053 0.02 A 149 SER HBx H 1 3.804 0.02 A 149 SER HBy H 1 3.935 0.02 A 149 SER CA C 13 57.651 0.1 A 149 SER CB C 13 67.629 0.1 A 149 SER N N 15 117.227 0.1 A 150 PHE H H 1 8.454 0.02 A 150 PHE HA H 1 5.055 0.02 A 150 PHE HBx H 1 3.066 0.02 A 150 PHE HBy H 1 3.446 0.02 A 150 PHE HD1 H 1 6.426 0.02 A 150 PHE HD2 H 1 6.426 0.02 A 150 PHE HE1 H 1 5.699 0.02 A 150 PHE HE2 H 1 5.699 0.02 A 150 PHE HZ H 1 5.762 0.02 A 150 PHE CA C 13 57.662 0.1 A 150 PHE CB C 13 40.039 0.1 A 150 PHE CD2 C 13 131.943 0.1 A 150 PHE CE2 C 13 129.871 0.1 A 150 PHE CZ C 13 128.202 0.1 A 150 PHE N N 15 113.489 0.1 A 151 VAL H H 1 8.968 0.02 A 151 VAL HA H 1 5.440 0.02 A 151 VAL HB H 1 2.022 0.02 A 151 VAL HGx% H 1 1.036 0.02 A 151 VAL HGy% H 1 1.041 0.02 A 151 VAL CA C 13 59.813 0.1 A 151 VAL CB C 13 37.295 0.1 A 151 VAL CGx C 13 22.662 0.1 A 151 VAL CGy C 13 22.676 0.1 A 151 VAL N N 15 118.371 0.1 A 152 LEU H H 1 9.797 0.02 A 152 LEU HA H 1 5.654 0.02 A 152 LEU HBx H 1 1.695 0.02 A 152 LEU HBy H 1 2.243 0.02 A 152 LEU HDx% H 1 1.014 0.02 A 152 LEU HDy% H 1 1.022 0.02 A 152 LEU HG H 1 1.762 0.02 A 152 LEU CA C 13 53.129 0.1 A 152 LEU CB C 13 48.058 0.1 A 152 LEU CDx C 13 25.456 0.1 A 152 LEU CDy C 13 26.674 0.1 A 152 LEU CG C 13 27.595 0.1 A 152 LEU N N 15 127.565 0.1 A 153 MET H H 1 9.928 0.02 A 153 MET HA H 1 5.132 0.02 A 153 MET HBy H 1 2.424 0.02 A 153 MET HBx H 1 1.730 0.02 A 153 MET CA C 13 55.435 0.1 A 153 MET CB C 13 31.494 0.1 A 153 MET N N 15 123.883 0.1 A 154 ASP H H 1 9.593 0.02 A 154 ASP HA H 1 5.293 0.02 A 154 ASP HBx H 1 2.289 0.02 A 154 ASP HBy H 1 2.410 0.02 A 154 ASP CA C 13 52.999 0.1 A 154 ASP CB C 13 42.667 0.1 A 154 ASP N N 15 125.721 0.1 A 155 ILE H H 1 9.035 0.02 A 155 ILE HA H 1 4.337 0.02 A 155 ILE HB H 1 1.986 0.02 A 155 ILE HD1% H 1 0.654 0.02 A 155 ILE HG1y H 1 1.585 0.02 A 155 ILE HG2% H 1 1.055 0.02 A 155 ILE CA C 13 62.643 0.1 A 155 ILE CB C 13 38.603 0.1 A 155 ILE CD1 C 13 12.936 0.1 A 155 ILE CG1 C 13 27.936 0.1 A 155 ILE CG2 C 13 17.932 0.1 A 155 ILE N N 15 126.726 0.1 A 156 GLN H H 1 8.727 0.02 A 156 GLN HA H 1 4.766 0.02 A 156 GLN HBx H 1 1.961 0.02 A 156 GLN HBy H 1 2.149 0.02 A 156 GLN HGy H 1 2.248 0.02 A 156 GLN CA C 13 55.116 0.1 A 156 GLN CB C 13 30.741 0.1 A 156 GLN CG C 13 36.290 0.1 A 156 GLN N N 15 128.130 0.1 A 157 ALA H H 1 9.016 0.02 A 157 ALA HA H 1 3.992 0.02 A 157 ALA HB% H 1 1.616 0.02 A 157 ALA CA C 13 54.779 0.1 A 157 ALA CB C 13 17.131 0.1 A 157 ALA N N 15 127.702 0.1 A 158 SER H H 1 8.029 0.02 A 158 SER HA H 1 4.508 0.02 A 158 SER HBx H 1 3.958 0.02 A 158 SER HBy H 1 4.095 0.02 A 158 SER CA C 13 58.418 0.1 A 158 SER CB C 13 63.715 0.1 A 158 SER N N 15 114.366 0.1 A 159 THR H H 1 8.295 0.02 A 159 THR HA H 1 4.971 0.02 A 159 THR HB H 1 4.102 0.02 A 159 THR HG2% H 1 1.078 0.02 A 159 THR CA C 13 62.128 0.1 A 159 THR CB C 13 71.573 0.1 A 159 THR CG2 C 13 21.785 0.1 A 159 THR N N 15 117.739 0.1 A 160 VAL H H 1 9.294 0.02 A 160 VAL HA H 1 4.479 0.02 A 160 VAL HB H 1 1.647 0.02 A 160 VAL HGx% H 1 0.625 0.02 A 160 VAL HGy% H 1 0.228 0.02 A 160 VAL CA C 13 60.836 0.1 A 160 VAL CB C 13 33.970 0.1 A 160 VAL CGx C 13 21.573 0.1 A 160 VAL CGy C 13 21.661 0.1 A 160 VAL N N 15 124.927 0.1 A 161 VAL H H 1 8.764 0.02 A 161 VAL HA H 1 4.256 0.02 A 161 VAL HB H 1 2.213 0.02 A 161 VAL HGx% H 1 0.906 0.02 A 161 VAL HGy% H 1 0.461 0.02 A 161 VAL CA C 13 62.581 0.1 A 161 VAL CB C 13 31.967 0.1 A 161 VAL CGx C 13 21.260 0.1 A 161 VAL CGy C 13 22.142 0.1 A 161 VAL N N 15 129.821 0.1 A 162 THR H H 1 9.224 0.02 A 162 THR HA H 1 4.595 0.02 A 162 THR HB H 1 4.107 0.02 A 162 THR CA C 13 63.403 0.1 A 162 THR N N 15 126.197 0.1 A 163 TYR H H 1 9.627 0.02 A 163 TYR HA H 1 5.171 0.02 A 163 TYR HBy H 1 3.207 0.02 A 163 TYR HBx H 1 2.485 0.02 A 163 TYR HD1 H 1 7.057 0.02 A 163 TYR HD2 H 1 7.057 0.02 A 163 TYR HE1 H 1 6.855 0.02 A 163 TYR HE2 H 1 6.855 0.02 A 163 TYR CA C 13 56.923 0.1 A 163 TYR CB C 13 40.608 0.1 A 163 TYR CD2 C 13 133.288 0.1 A 163 TYR CE2 C 13 118.275 0.1 A 163 TYR N N 15 125.723 0.1 A 164 VAL H H 1 8.998 0.02 A 164 VAL HA H 1 4.252 0.02 A 164 VAL HB H 1 1.404 0.02 A 164 VAL HGx% H 1 0.342 0.02 A 164 VAL HGy% H 1 -0.064 0.02 A 164 VAL CA C 13 60.627 0.1 A 164 VAL CB C 13 33.073 0.1 A 164 VAL CGy C 13 20.168 0.1 A 164 VAL CGx C 13 18.199 0.1 A 164 VAL N N 15 123.934 0.1 A 165 TYR H H 1 8.418 0.02 A 165 TYR HA H 1 4.469 0.02 A 165 TYR HD1 H 1 6.266 0.02 A 165 TYR HD2 H 1 6.266 0.02 A 165 TYR HE1 H 1 6.089 0.02 A 165 TYR HE2 H 1 6.089 0.02 A 165 TYR CA C 13 56.803 0.1 A 165 TYR CB C 13 39.264 0.1 A 165 TYR CD2 C 13 133.201 0.1 A 165 TYR CE2 C 13 116.786 0.1 A 165 TYR N N 15 127.830 0.1 A 166 GLN H H 1 8.675 0.02 A 166 GLN HA H 1 5.511 0.02 A 166 GLN CA C 13 53.983 0.1 A 166 GLN CB C 13 34.156 0.1 A 166 GLN CG C 13 35.447 0.1 A 166 GLN N N 15 117.726 0.1 A 167 LEU H H 1 8.178 0.02 A 167 LEU HA H 1 4.938 0.02 A 167 LEU HBx H 1 0.814 0.02 A 167 LEU HBy H 1 1.656 0.02 A 167 LEU HDx% H 1 0.473 0.02 A 167 LEU HDy% H 1 0.622 0.02 A 167 LEU HG H 1 0.631 0.02 A 167 LEU CA C 13 53.912 0.1 A 167 LEU CB C 13 42.823 0.1 A 167 LEU CDx C 13 24.103 0.1 A 167 LEU CDy C 13 26.592 0.1 A 167 LEU N N 15 124.708 0.1 A 168 ILE H H 1 8.543 0.02 A 168 ILE HA H 1 4.281 0.02 A 168 ILE HB H 1 1.818 0.02 A 168 ILE HD1% H 1 0.841 0.02 A 168 ILE HG1y H 1 1.402 0.02 A 168 ILE HG1x H 1 1.132 0.02 A 168 ILE HG2% H 1 0.911 0.02 A 168 ILE CA C 13 59.788 0.1 A 168 ILE CB C 13 38.592 0.1 A 168 ILE CD1 C 13 12.627 0.1 A 168 ILE CG1 C 13 27.274 0.1 A 168 ILE CG2 C 13 17.222 0.1 A 168 ILE N N 15 127.999 0.1 A 169 GLY H H 1 8.862 0.02 A 169 GLY HAy H 1 3.969 0.02 A 169 GLY HAx H 1 3.693 0.02 A 169 GLY CA C 13 47.350 0.1 A 169 GLY N N 15 118.462 0.1 A 170 ASP H H 1 8.849 0.02 A 170 ASP HA H 1 4.612 0.02 A 170 ASP HBx H 1 2.488 0.02 A 170 ASP HBy H 1 2.823 0.02 A 170 ASP CA C 13 54.536 0.1 A 170 ASP CB C 13 42.128 0.1 A 170 ASP N N 15 123.502 0.1 A 171 ASP H H 1 7.801 0.02 A 171 ASP HA H 1 4.945 0.02 A 171 ASP HBy H 1 2.633 0.02 A 171 ASP CA C 13 53.323 0.1 A 171 ASP CB C 13 44.331 0.1 A 171 ASP N N 15 118.485 0.1 A 172 VAL H H 1 8.528 0.02 A 172 VAL HA H 1 4.691 0.02 A 172 VAL HB H 1 2.139 0.02 A 172 VAL HGx% H 1 0.942 0.02 A 172 VAL HGy% H 1 1.055 0.02 A 172 VAL CA C 13 62.134 0.1 A 172 VAL CB C 13 32.103 0.1 A 172 VAL CGx C 13 21.728 0.1 A 172 VAL CGy C 13 22.848 0.1 A 172 VAL N N 15 121.608 0.1 A 173 LYS H H 1 9.415 0.02 A 173 LYS HA H 1 4.599 0.02 A 173 LYS HBy H 1 1.750 0.02 A 173 LYS HDy H 1 1.639 0.02 A 173 LYS HGx H 1 1.343 0.02 A 173 LYS HGy H 1 1.456 0.02 A 173 LYS CA C 13 54.531 0.1 A 173 LYS CB C 13 34.354 0.1 A 173 LYS CD C 13 29.079 0.1 A 173 LYS CE C 13 42.189 0.1 A 173 LYS CG C 13 24.944 0.1 A 173 LYS N N 15 131.301 0.1 A 174 VAL H H 1 8.405 0.02 A 174 VAL HA H 1 5.060 0.02 A 174 VAL HB H 1 1.616 0.02 A 174 VAL HGx% H 1 0.343 0.02 A 174 VAL HGy% H 1 0.109 0.02 A 174 VAL CA C 13 60.266 0.1 A 174 VAL CB C 13 33.831 0.1 A 174 VAL CGx C 13 21.087 0.1 A 174 VAL CGy C 13 21.513 0.1 A 174 VAL N N 15 124.874 0.1 A 175 GLU H H 1 8.281 0.02 A 175 GLU HA H 1 4.758 0.02 A 175 GLU HBx H 1 1.639 0.02 A 175 GLU HBy H 1 1.959 0.02 A 175 GLU HGy H 1 2.175 0.02 A 175 GLU CA C 13 54.465 0.1 A 175 GLU CB C 13 33.287 0.1 A 175 GLU CG C 13 36.179 0.1 A 175 GLU N N 15 127.135 0.1 A 176 ARG H H 1 8.603 0.02 A 176 ARG HA H 1 5.233 0.02 A 176 ARG HDy H 1 2.793 0.02 A 176 ARG CA C 13 54.512 0.1 A 176 ARG CB C 13 33.551 0.1 A 176 ARG CD C 13 43.573 0.1 A 176 ARG CG C 13 26.414 0.1 A 176 ARG N N 15 122.289 0.1 A 177 ILE H H 1 9.181 0.02 A 177 ILE HA H 1 4.409 0.02 A 177 ILE HB H 1 1.686 0.02 A 177 ILE HD1% H 1 1.057 0.02 A 177 ILE HG1y H 1 1.215 0.02 A 177 ILE HG2% H 1 1.071 0.02 A 177 ILE CA C 13 60.961 0.1 A 177 ILE CB C 13 42.896 0.1 A 177 ILE CD1 C 13 15.328 0.1 A 177 ILE CG1 C 13 27.977 0.1 A 177 ILE CG2 C 13 18.148 0.1 A 177 ILE N N 15 126.588 0.1 A 178 GLU H H 1 8.866 0.02 A 178 GLU HA H 1 4.975 0.02 A 178 GLU HBy H 1 1.885 0.02 A 178 GLU HGx H 1 1.987 0.02 A 178 GLU HGy H 1 2.102 0.02 A 178 GLU CA C 13 55.718 0.1 A 178 GLU CB C 13 32.772 0.1 A 178 GLU CG C 13 37.353 0.1 A 178 GLU N N 15 127.032 0.1 A 179 TYR H H 1 8.629 0.02 A 179 TYR HA H 1 4.527 0.02 A 179 TYR HBy H 1 1.703 0.02 A 179 TYR HD1 H 1 6.626 0.02 A 179 TYR HD2 H 1 6.626 0.02 A 179 TYR HE1 H 1 6.505 0.02 A 179 TYR HE2 H 1 6.505 0.02 A 179 TYR CA C 13 56.673 0.1 A 179 TYR CB C 13 40.443 0.1 A 179 TYR CD2 C 13 132.593 0.1 A 179 TYR CE2 C 13 117.331 0.1 A 179 TYR N N 15 125.272 0.1 A 180 LYS H H 1 7.826 0.02 A 180 LYS HA H 1 4.794 0.02 A 180 LYS HBy H 1 1.613 0.02 A 180 LYS HBx H 1 1.464 0.02 A 180 LYS HDx H 1 1.561 0.02 A 180 LYS HDy H 1 1.561 0.02 A 180 LYS HE2 H 1 2.882 0.02 A 180 LYS HE3 H 1 2.882 0.02 A 180 LYS HGx H 1 1.225 0.02 A 180 LYS HGy H 1 1.308 0.02 A 180 LYS CA C 13 54.016 0.1 A 180 LYS CB C 13 34.914 0.1 A 180 LYS CD C 13 29.222 0.1 A 180 LYS CE C 13 41.998 0.1 A 180 LYS CG C 13 24.371 0.1 A 180 LYS N N 15 127.219 0.1 A 181 LYS H H 1 8.052 0.02 A 181 LYS HA H 1 4.156 0.02 A 181 LYS HBy H 1 1.721 0.02 A 181 LYS HBx H 1 1.641 0.02 A 181 LYS HDy H 1 1.119 0.02 A 181 LYS HE3 H 1 2.742 0.02 A 181 LYS HGy H 1 1.389 0.02 A 181 LYS CA C 13 56.504 0.1 A 181 LYS CB C 13 33.665 0.1 A 181 LYS CD C 13 29.104 0.1 A 181 LYS CE C 13 41.963 0.1 A 181 LYS CG C 13 24.720 0.1 A 181 LYS N N 15 122.707 0.1 A 182 SER H H 1 8.429 0.02 A 182 SER HA H 1 4.264 0.02 A 182 SER HBx H 1 3.850 0.02 A 182 SER HBy H 1 3.854 0.02 A 182 SER CA C 13 60.235 0.1 A 182 SER CB C 13 65.080 0.1 A 182 SER N N 15 126.186 0.1 B 688 PRO HA H 1 4.503 0.02 B 688 PRO HBx H 1 1.981 0.02 B 688 PRO HBy H 1 2.352 0.02 B 688 PRO HDy H 1 3.609 0.02 B 688 PRO HGy H 1 2.053 0.02 B 688 PRO CA C 13 63.199 0.1 B 688 PRO CB C 13 32.378 0.1 B 688 PRO CD C 13 49.705 0.1 B 688 PRO CG C 13 27.127 0.1 B 689 LEU H H 1 8.594 0.02 B 689 LEU HA H 1 4.381 0.02 B 689 LEU HBy H 1 1.715 0.02 B 689 LEU HBx H 1 1.645 0.02 B 689 LEU HDx% H 1 0.924 0.02 B 689 LEU HDy% H 1 0.972 0.02 B 689 LEU HG H 1 1.688 0.02 B 689 LEU CA C 13 55.505 0.1 B 689 LEU CB C 13 42.092 0.1 B 689 LEU CDx C 13 23.486 0.1 B 689 LEU CDy C 13 24.843 0.1 B 689 LEU CG C 13 27.054 0.1 B 689 LEU N N 15 122.268 0.1 B 690 GLY H H 1 8.476 0.02 B 690 GLY HAy H 1 4.074 0.02 B 690 GLY HAx H 1 3.981 0.02 B 690 GLY CA C 13 45.279 0.1 B 690 GLY N N 15 110.289 0.1 B 691 SER H H 1 8.240 0.02 B 691 SER HA H 1 4.600 0.02 B 691 SER HBx H 1 3.908 0.02 B 691 SER HBy H 1 3.963 0.02 B 691 SER CA C 13 58.257 0.1 B 691 SER CB C 13 64.116 0.1 B 691 SER N N 15 115.788 0.1 B 692 THR H H 1 8.395 0.02 B 692 THR HA H 1 4.451 0.02 B 692 THR HB H 1 4.350 0.02 B 692 THR HG2% H 1 1.240 0.02 B 692 THR CA C 13 61.890 0.1 B 692 THR CB C 13 69.814 0.1 B 692 THR CG2 C 13 21.579 0.1 B 692 THR N N 15 115.594 0.1 B 693 GLU H H 1 8.480 0.02 B 693 GLU HA H 1 4.319 0.02 B 693 GLU HBx H 1 1.965 0.02 B 693 GLU HBy H 1 2.101 0.02 B 693 GLU HGy H 1 2.294 0.02 B 693 GLU HGx H 1 2.114 0.02 B 693 GLU CA C 13 56.940 0.1 B 693 GLU CB C 13 30.173 0.1 B 693 GLU CG C 13 36.335 0.1 B 693 GLU N N 15 122.506 0.1 B 694 GLU H H 1 8.355 0.02 B 694 GLU HA H 1 4.284 0.02 B 694 GLU HBx H 1 1.925 0.02 B 694 GLU HBy H 1 2.060 0.02 B 694 GLU CA C 13 56.731 0.1 B 694 GLU CB C 13 30.588 0.1 B 694 GLU CG C 13 36.392 0.1 B 694 GLU N N 15 121.117 0.1 B 695 ASP H H 1 8.363 0.02 B 695 ASP HA H 1 4.632 0.02 B 695 ASP HBx H 1 2.628 0.02 B 695 ASP HBy H 1 2.762 0.02 B 695 ASP CA C 13 54.313 0.1 B 695 ASP CB C 13 41.206 0.1 B 695 ASP N N 15 121.382 0.1 B 696 LEU H H 1 8.183 0.02 B 696 LEU HA H 1 4.382 0.02 B 696 LEU HBx H 1 1.616 0.02 B 696 LEU HBy H 1 1.677 0.02 B 696 LEU HDx% H 1 0.894 0.02 B 696 LEU HDy% H 1 0.953 0.02 B 696 LEU HG H 1 1.652 0.02 B 696 LEU CA C 13 55.161 0.1 B 696 LEU CB C 13 42.549 0.1 B 696 LEU CDx C 13 23.477 0.1 B 696 LEU CDy C 13 24.950 0.1 B 696 LEU CG C 13 26.959 0.1 B 696 LEU N N 15 122.673 0.1 B 697 GLU H H 1 8.404 0.02 B 697 GLU HA H 1 4.272 0.02 B 697 GLU HBx H 1 1.976 0.02 B 697 GLU HBy H 1 2.074 0.02 B 697 GLU CA C 13 56.656 0.1 B 697 GLU CB C 13 30.465 0.1 B 697 GLU N N 15 121.893 0.1 B 698 ASP H H 1 8.394 0.02 B 698 ASP HA H 1 4.610 0.02 B 698 ASP HBx H 1 2.608 0.02 B 698 ASP HBy H 1 2.741 0.02 B 698 ASP CA C 13 54.224 0.1 B 698 ASP CB C 13 41.213 0.1 B 698 ASP N N 15 121.777 0.1 B 699 ALA H H 1 8.242 0.02 B 699 ALA HA H 1 4.342 0.02 B 699 ALA HB% H 1 1.429 0.02 B 699 ALA CA C 13 52.471 0.1 B 699 ALA CB C 13 19.614 0.1 B 699 ALA N N 15 124.776 0.1 B 700 GLU H H 1 8.454 0.02 B 700 GLU HA H 1 4.282 0.02 B 700 GLU HBy H 1 2.084 0.02 B 700 GLU HBx H 1 1.979 0.02 B 700 GLU CA C 13 56.582 0.1 B 700 GLU CB C 13 30.421 0.1 B 700 GLU N N 15 120.214 0.1 B 701 ASP H H 1 8.424 0.02 B 701 ASP HA H 1 4.685 0.02 B 701 ASP HBx H 1 2.668 0.02 B 701 ASP HBy H 1 2.749 0.02 B 701 ASP CA C 13 54.319 0.1 B 701 ASP CB C 13 41.116 0.1 B 701 ASP N N 15 121.476 0.1 B 702 THR H H 1 8.147 0.02 B 702 THR HA H 1 4.355 0.02 B 702 THR HB H 1 4.237 0.02 B 702 THR HG2% H 1 1.235 0.02 B 702 THR CA C 13 62.099 0.1 B 702 THR CB C 13 69.833 0.1 B 702 THR CG2 C 13 21.606 0.1 B 702 THR N N 15 114.856 0.1 B 703 VAL H H 1 8.194 0.02 B 703 VAL HA H 1 4.164 0.02 B 703 VAL HB H 1 2.127 0.02 B 703 VAL HGx% H 1 0.963 0.02 B 703 VAL HGy% H 1 0.955 0.02 B 703 VAL CA C 13 62.577 0.1 B 703 VAL CB C 13 32.690 0.1 B 703 VAL CGy C 13 21.051 0.1 B 703 VAL CGx C 13 20.298 0.1 B 703 VAL N N 15 122.776 0.1 B 704 SER H H 1 8.446 0.02 B 704 SER HA H 1 4.473 0.02 B 704 SER HBy H 1 3.865 0.02 B 704 SER CA C 13 58.142 0.1 B 704 SER CB C 13 63.832 0.1 B 704 SER N N 15 119.914 0.1 B 705 ALA H H 1 8.350 0.02 B 705 ALA HA H 1 4.307 0.02 B 705 ALA HB% H 1 1.393 0.02 B 705 ALA CA C 13 52.376 0.1 B 705 ALA CB C 13 19.328 0.1 B 705 ALA N N 15 126.563 0.1 B 706 ALA H H 1 8.181 0.02 B 706 ALA HA H 1 4.310 0.02 B 706 ALA HB% H 1 1.378 0.02 B 706 ALA CA C 13 52.132 0.1 B 706 ALA CB C 13 19.408 0.1 B 706 ALA N N 15 123.207 0.1 B 707 ASP H H 1 8.272 0.02 B 707 ASP HA H 1 4.848 0.02 B 707 ASP HBy H 1 2.726 0.02 B 707 ASP HBx H 1 2.483 0.02 B 707 ASP CA C 13 52.676 0.1 B 707 ASP CB C 13 40.714 0.1 B 707 ASP N N 15 121.474 0.1 B 708 PRO HA H 1 4.382 0.02 B 708 PRO HBx H 1 1.863 0.02 B 708 PRO HBy H 1 2.249 0.02 B 708 PRO HDx H 1 3.687 0.02 B 708 PRO HDy H 1 3.806 0.02 B 708 PRO HGy H 1 2.037 0.02 B 708 PRO CA C 13 62.957 0.1 B 708 PRO CB C 13 32.158 0.1 B 708 PRO CD C 13 50.591 0.1 B 708 PRO CG C 13 27.299 0.1 B 709 GLU H H 1 8.394 0.02 B 709 GLU HA H 1 4.156 0.02 B 709 GLU HBy H 1 1.865 0.02 B 709 GLU CA C 13 56.324 0.1 B 709 GLU CB C 13 30.215 0.1 B 709 GLU CG C 13 36.344 0.1 B 709 GLU N N 15 120.830 0.1 B 710 PHE HA H 1 5.126 0.02 B 710 PHE HBx H 1 3.060 0.02 B 710 PHE HBy H 1 3.323 0.02 B 710 PHE CA C 13 55.947 0.1 B 710 PHE CB C 13 40.639 0.1 B 711 CYS H H 1 8.384 0.02 B 711 CYS HA H 1 4.285 0.02 B 711 CYS HBx H 1 2.745 0.02 B 711 CYS HBy H 1 3.003 0.02 B 711 CYS CA C 13 62.064 0.1 B 711 CYS CB C 13 31.639 0.1 B 711 CYS N N 15 123.980 0.1 B 712 HIS H H 1 7.204 0.02 B 712 HIS HBx H 1 3.136 0.02 B 712 HIS HBy H 1 3.298 0.02 B 712 HIS HD2 H 1 7.283 0.02 B 712 HIS HE1 H 1 7.464 0.02 B 712 HIS CD2 C 13 120.566 0.1 B 712 HIS CE1 C 13 138.122 0.1 B 712 HIS N N 15 110.598 0.1 B 713 PRO HA H 1 4.013 0.02 B 713 PRO HBx H 1 1.837 0.02 B 713 PRO HBy H 1 2.377 0.02 B 713 PRO HGx H 1 1.521 0.02 B 713 PRO HGy H 1 1.645 0.02 B 713 PRO CA C 13 66.074 0.1 B 714 LEU H H 1 7.217 0.02 B 714 LEU HA H 1 4.622 0.02 B 714 LEU HBx H 1 1.686 0.02 B 714 LEU HBy H 1 2.044 0.02 B 714 LEU HDx% H 1 0.642 0.02 B 714 LEU HDy% H 1 0.803 0.02 B 714 LEU HG H 1 1.648 0.02 B 714 LEU CA C 13 52.115 0.1 B 714 LEU CDy C 13 25.596 0.1 B 714 LEU CDx C 13 20.410 0.1 B 714 LEU CG C 13 27.225 0.1 B 714 LEU N N 15 111.119 0.1 B 715 CYS H H 1 6.859 0.02 B 715 CYS HA H 1 3.445 0.02 B 715 CYS HBx H 1 1.846 0.02 B 715 CYS HBy H 1 3.052 0.02 B 715 CYS CA C 13 62.150 0.1 B 715 CYS CB C 13 30.880 0.1 B 715 CYS N N 15 123.868 0.1 B 716 GLN H H 1 8.494 0.02 B 716 GLN HA H 1 4.524 0.02 B 716 GLN HBx H 1 1.358 0.02 B 716 GLN HBy H 1 1.743 0.02 B 716 GLN HE21 H 1 7.832 0.02 B 716 GLN HE22 H 1 6.605 0.02 B 716 GLN HGy H 1 2.468 0.02 B 716 GLN CA C 13 54.662 0.1 B 716 GLN N N 15 126.805 0.1 B 716 GLN NE2 N 15 111.495 0.1 B 717 CYS H H 1 9.792 0.02 B 717 CYS HA H 1 4.823 0.02 B 717 CYS HBx H 1 2.970 0.02 B 717 CYS HBy H 1 2.970 0.02 B 717 CYS CA C 13 59.037 0.1 B 717 CYS CB C 13 27.425 0.1 B 717 CYS N N 15 127.269 0.1 B 718 PRO HA H 1 4.309 0.02 B 718 PRO HBy H 1 2.463 0.02 B 718 PRO HDy H 1 3.950 0.02 B 718 PRO HDx H 1 3.701 0.02 B 718 PRO HGx H 1 1.929 0.02 B 718 PRO HGy H 1 2.135 0.02 B 718 PRO CA C 13 65.488 0.1 B 718 PRO CB C 13 32.194 0.1 B 718 PRO CD C 13 50.506 0.1 B 718 PRO CG C 13 28.009 0.1 B 719 LYS H H 1 8.775 0.02 B 719 LYS HA H 1 4.215 0.02 B 719 LYS HBy H 1 1.853 0.02 B 719 LYS CA C 13 58.444 0.1 B 719 LYS N N 15 118.232 0.1 B 720 CYS H H 1 7.912 0.02 B 720 CYS HA H 1 4.097 0.02 B 720 CYS HBx H 1 2.458 0.02 B 720 CYS HBy H 1 2.914 0.02 B 720 CYS CA C 13 61.982 0.1 B 720 CYS CB C 13 31.850 0.1 B 720 CYS N N 15 123.189 0.1 B 721 ALA H H 1 8.465 0.02 B 721 ALA HA H 1 4.485 0.02 B 721 ALA HB% H 1 1.240 0.02 B 721 ALA CA C 13 54.483 0.1 B 721 ALA CB C 13 17.922 0.1 B 721 ALA N N 15 122.907 0.1 B 722 PRO HA H 1 4.389 0.02 B 722 PRO HDy H 1 3.543 0.02 B 722 PRO CA C 13 64.570 0.1 B 722 PRO CD C 13 50.695 0.1 B 723 ALA H H 1 7.994 0.02 B 723 ALA HA H 1 4.285 0.02 B 723 ALA HB% H 1 1.504 0.02 B 723 ALA CA C 13 53.351 0.1 B 723 ALA CB C 13 19.124 0.1 B 723 ALA N N 15 122.099 0.1 B 724 GLN H H 1 8.278 0.02 B 724 GLN HA H 1 4.168 0.02 B 724 GLN HBy H 1 1.927 0.02 B 724 GLN HBx H 1 1.890 0.02 B 724 GLN HE21 H 1 7.571 0.02 B 724 GLN HE22 H 1 6.616 0.02 B 724 GLN HGy H 1 2.323 0.02 B 724 GLN HGx H 1 2.254 0.02 B 724 GLN CA C 13 56.938 0.1 B 724 GLN CB C 13 30.026 0.1 B 724 GLN CG C 13 36.333 0.1 B 724 GLN N N 15 118.677 0.1 B 724 GLN NE2 N 15 111.495 0.1 B 725 LYS H H 1 8.023 0.02 B 725 LYS HA H 1 4.590 0.02 B 725 LYS CA C 13 57.843 0.1 B 725 LYS N N 15 119.999 0.1 B 726 ARG HA H 1 4.216 0.02 B 726 ARG HBy H 1 1.868 0.02 B 726 ARG HBx H 1 1.776 0.02 B 726 ARG HDy H 1 3.227 0.02 B 726 ARG HGy H 1 1.681 0.02 B 726 ARG HGx H 1 1.631 0.02 B 726 ARG CA C 13 57.222 0.1 B 726 ARG CB C 13 30.794 0.1 B 726 ARG CD C 13 43.432 0.1 B 726 ARG CG C 13 27.308 0.1 B 727 LEU H H 1 8.089 0.02 B 727 LEU CA C 13 55.197 0.1 B 727 LEU CB C 13 42.402 0.1 B 727 LEU N N 15 122.288 0.1 B 728 ALA H H 1 8.042 0.02 B 728 ALA HA H 1 4.311 0.02 B 728 ALA CA C 13 52.457 0.1 B 728 ALA N N 15 124.081 0.1 B 729 LYS H H 1 8.185 0.02 B 729 LYS HA H 1 4.333 0.02 B 729 LYS HBy H 1 1.821 0.02 B 729 LYS HBx H 1 1.767 0.02 B 729 LYS HDx H 1 1.696 0.02 B 729 LYS HDy H 1 1.738 0.02 B 729 LYS HEy H 1 3.020 0.02 B 729 LYS HGy H 1 1.522 0.02 B 729 LYS HGx H 1 1.410 0.02 B 729 LYS CA C 13 56.133 0.1 B 729 LYS CB C 13 33.085 0.1 B 729 LYS CD C 13 29.162 0.1 B 729 LYS CE C 13 42.235 0.1 B 729 LYS CG C 13 24.755 0.1 B 729 LYS N N 15 120.684 0.1 B 730 VAL H H 1 8.189 0.02 B 730 VAL HA H 1 4.436 0.02 B 730 VAL HB H 1 2.111 0.02 B 730 VAL HGx% H 1 1.016 0.02 B 730 VAL HGy% H 1 0.977 0.02 B 730 VAL CA C 13 59.913 0.1 B 730 VAL CB C 13 32.636 0.1 B 730 VAL CGy C 13 21.046 0.1 B 730 VAL CGx C 13 20.295 0.1 B 730 VAL N N 15 123.111 0.1 B 731 PRO HA H 1 4.429 0.02 B 731 PRO HBx H 1 1.957 0.02 B 731 PRO HBy H 1 2.333 0.02 B 731 PRO HDx H 1 3.708 0.02 B 731 PRO HDy H 1 3.886 0.02 B 731 PRO HGx H 1 1.996 0.02 B 731 PRO HGy H 1 2.076 0.02 B 731 PRO CA C 13 63.139 0.1 B 731 PRO CB C 13 32.195 0.1 B 731 PRO CD C 13 51.038 0.1 B 731 PRO CG C 13 27.425 0.1 B 732 ALA H H 1 8.472 0.02 B 732 ALA HA H 1 4.321 0.02 B 732 ALA HB% H 1 1.457 0.02 B 732 ALA CA C 13 52.707 0.1 B 732 ALA CB C 13 19.156 0.1 B 732 ALA N N 15 124.684 0.1 B 733 SER H H 1 8.297 0.02 B 733 SER CA C 13 58.412 0.1 B 733 SER CB C 13 63.894 0.1 B 733 SER N N 15 114.435 0.1 B 734 GLY H H 1 8.404 0.02 B 734 GLY CA C 13 45.316 0.1 B 734 GLY N N 15 110.577 0.1 B 735 LEU H H 1 8.148 0.02 B 735 LEU CA C 13 55.249 0.1 B 735 LEU CB C 13 42.447 0.1 B 735 LEU N N 15 121.325 0.1 B 736 GLY H H 1 8.479 0.02 B 736 GLY HAx H 1 3.977 0.02 B 736 GLY CA C 13 45.306 0.1 B 736 GLY N N 15 109.686 0.1 B 737 VAL H H 1 7.917 0.02 B 737 VAL HA H 1 4.155 0.02 B 737 VAL HB H 1 2.104 0.02 B 737 VAL HGx% H 1 0.959 0.02 B 737 VAL HGy% H 1 0.921 0.02 B 737 VAL CA C 13 62.242 0.1 B 737 VAL CB C 13 32.668 0.1 B 737 VAL CGy C 13 21.121 0.1 B 737 VAL CGx C 13 20.267 0.1 B 737 VAL N N 15 118.662 0.1 B 738 ASN H H 1 8.581 0.02 B 738 ASN HA H 1 4.785 0.02 B 738 ASN HBx H 1 2.755 0.02 B 738 ASN HBy H 1 2.862 0.02 B 738 ASN HD2x H 1 6.916 0.02 B 738 ASN HD2y H 1 7.598 0.02 B 738 ASN CA C 13 53.236 0.1 B 738 ASN CB C 13 38.934 0.1 B 738 ASN N N 15 122.402 0.1 B 738 ASN ND2 N 15 113.046 0.1 B 739 VAL H H 1 8.162 0.02 B 739 VAL HA H 1 4.230 0.02 B 739 VAL HB H 1 2.156 0.02 B 739 VAL HGx% H 1 0.945 0.02 B 739 VAL HGy% H 1 0.964 0.02 B 739 VAL CA C 13 62.455 0.1 B 739 VAL CB C 13 32.702 0.1 B 739 VAL CGx C 13 20.231 0.1 B 739 VAL CGy C 13 21.250 0.1 B 739 VAL N N 15 120.599 0.1 B 740 THR H H 1 8.299 0.02 B 740 THR HA H 1 4.435 0.02 B 740 THR HB H 1 4.253 0.02 B 740 THR HG2% H 1 1.238 0.02 B 740 THR CA C 13 61.737 0.1 B 740 THR CB C 13 69.967 0.1 B 740 THR CG2 C 13 21.595 0.1 B 740 THR N N 15 117.331 0.1 B 741 SER H H 1 8.327 0.02 B 741 SER HA H 1 4.486 0.02 B 741 SER HBx H 1 3.871 0.02 B 741 SER HBy H 1 3.927 0.02 B 741 SER CA C 13 58.304 0.1 B 741 SER CB C 13 63.889 0.1 B 741 SER N N 15 117.939 0.1 B 742 GLN H H 1 8.522 0.02 B 742 GLN HA H 1 4.384 0.02 B 742 GLN HBx H 1 1.972 0.02 B 742 GLN HBy H 1 2.149 0.02 B 742 GLN HE21 H 1 6.840 0.02 B 742 GLN HE22 H 1 7.515 0.02 B 742 GLN CA C 13 56.116 0.1 B 742 GLN CB C 13 29.336 0.1 B 742 GLN CG C 13 33.763 0.1 B 742 GLN N N 15 122.383 0.1 B 742 GLN NE2 N 15 112.478 0.1 B 743 ASP H H 1 8.329 0.02 B 743 ASP HA H 1 4.627 0.02 B 743 ASP HBy H 1 2.750 0.02 B 743 ASP HBx H 1 2.714 0.02 B 743 ASP CA C 13 54.454 0.1 B 743 ASP CB C 13 41.268 0.1 B 743 ASP N N 15 120.952 0.1 B 744 GLY H H 1 8.338 0.02 B 744 GLY HAx H 1 3.904 0.02 B 744 GLY HAy H 1 4.007 0.02 B 744 GLY CA C 13 45.458 0.1 B 744 GLY N N 15 109.656 0.1 B 745 SER H H 1 8.195 0.02 B 745 SER HA H 1 4.428 0.02 B 745 SER HBy H 1 3.802 0.02 B 745 SER CA C 13 58.573 0.1 B 745 SER CB C 13 63.955 0.1 B 745 SER N N 15 115.727 0.1 B 746 SER H H 1 8.177 0.02 B 746 SER HA H 1 4.476 0.02 B 746 SER HBy H 1 3.770 0.02 B 746 SER CA C 13 58.313 0.1 B 746 SER CB C 13 64.000 0.1 B 746 SER N N 15 117.614 0.1 B 747 TRP H H 1 7.722 0.02 B 747 TRP HA H 1 4.558 0.02 B 747 TRP HBx H 1 3.195 0.02 B 747 TRP HBy H 1 3.364 0.02 B 747 TRP HE1 H 1 10.036 0.02 B 747 TRP CA C 13 58.588 0.1 B 747 TRP CB C 13 30.070 0.1 B 747 TRP N N 15 127.826 0.1 B 747 TRP NE1 N 15 128.657 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 LEU HDy% B 713 PRO HBx 1.0 0.0 2.3 2 1 A 2 LEU HDx% B 713 PRO HBx 1.0 0.0 2.3 3 1 B 713 PRO HBy A 2 LEU HDx% 1.0 0.0 2.3 4 1 A 2 LEU HDy% B 713 PRO HBy 1.0 0.0 2.3 5 2 B 713 PRO HA A 2 LEU HDx% 1.0 0.0 2.9 6 2 A 2 LEU HDy% B 713 PRO HA 1.0 0.0 2.9 7 3 A 2 LEU HDx% B 714 LEU HDx% 1.0 0.0 2.3 8 3 B 714 LEU HDy% A 2 LEU HDx% 1.0 0.0 2.3 9 3 A 2 LEU HDy% B 714 LEU HDy% 1.0 0.0 2.3 10 3 A 2 LEU HDy% B 714 LEU HDx% 1.0 0.0 2.3 11 4 A 2 LEU HDy% B 714 LEU HBx 1.0 0.0 5.0 12 4 B 714 LEU HBy A 2 LEU HDx% 1.0 0.0 5.0 13 4 A 2 LEU HDy% B 714 LEU HBy 1.0 0.0 5.0 14 4 A 2 LEU HDx% B 714 LEU HBx 1.0 0.0 5.0 15 5 B 714 LEU HG A 2 LEU HDx% 1.0 0.0 5.0 16 5 A 2 LEU HDy% B 714 LEU HG 1.0 0.0 5.0 17 6 B 714 LEU HA A 2 LEU HDx% 1.0 0.0 5.0 18 6 A 2 LEU HDy% B 714 LEU HA 1.0 0.0 5.0 19 7 A 25 LEU HDy% B 711 CYS HBy 1.0 0.0 5.0 20 7 A 25 LEU HDx% B 711 CYS HBy 1.0 0.0 5.0 21 7 B 711 CYS HBx A 25 LEU HDx% 1.0 0.0 5.0 22 7 A 25 LEU HDy% B 711 CYS HBx 1.0 0.0 5.0 23 8 B 712 HIS HE1 A 25 LEU HDx% 1.0 0.0 2.3 24 8 A 25 LEU HDy% B 712 HIS HE1 1.0 0.0 2.3 25 9 B 712 HIS HD2 A 25 LEU HDx% 1.0 0.0 5.0 26 9 A 25 LEU HDy% B 712 HIS HD2 1.0 0.0 5.0 27 10 A 25 LEU HDy% B 713 PRO HBx 1.0 0.0 5.0 28 10 B 713 PRO HBy A 25 LEU HDx% 1.0 0.0 5.0 29 10 B 713 PRO HBy A 25 LEU HDy% 1.0 0.0 5.0 30 10 A 25 LEU HDx% B 713 PRO HBx 1.0 0.0 5.0 31 11 B 714 LEU HA A 25 LEU HDx% 1.0 0.0 5.0 32 11 B 714 LEU HA A 25 LEU HDy% 1.0 0.0 5.0 33 12 A 25 LEU HDx% B 714 LEU HBx 1.0 0.0 2.9 34 12 A 25 LEU HDy% B 714 LEU HBx 1.0 0.0 2.9 35 12 B 714 LEU HBy A 25 LEU HDx% 1.0 0.0 2.9 36 12 B 714 LEU HBy A 25 LEU HDy% 1.0 0.0 2.9 37 13 A 25 LEU HDy% B 714 LEU HDx% 1.0 0.0 2.3 38 13 A 25 LEU HDx% B 714 LEU HDx% 1.0 0.0 2.3 39 13 B 714 LEU HDy% A 25 LEU HDx% 1.0 0.0 2.3 40 13 B 714 LEU HDy% A 25 LEU HDy% 1.0 0.0 2.3 41 14 B 714 LEU HG A 25 LEU HDx% 1.0 0.0 3.5 42 14 B 714 LEU HG A 25 LEU HDy% 1.0 0.0 3.5 43 15 A 25 LEU HA B 714 LEU HDx% 1.0 0.0 5.0 44 15 B 714 LEU HDy% A 25 LEU HA 1.0 0.0 5.0 45 16 A 25 LEU HBy B 714 LEU HDx% 1.0 0.0 5.0 46 16 A 25 LEU HBx B 714 LEU HDx% 1.0 0.0 5.0 47 16 B 714 LEU HDy% A 25 LEU HBy 1.0 0.0 5.0 48 16 B 714 LEU HDy% A 25 LEU HBx 1.0 0.0 5.0 49 17 B 715 CYS HA A 25 LEU HDx% 1.0 0.0 3.5 50 17 A 25 LEU HDy% B 715 CYS HA 1.0 0.0 3.5 51 18 A 26 LEU HDy% B 714 LEU HDx% 1.0 0.0 2.9 52 18 A 26 LEU HDx% B 714 LEU HDx% 1.0 0.0 2.9 53 18 B 714 LEU HDy% A 26 LEU HDx% 1.0 0.0 2.9 54 18 B 714 LEU HDy% A 26 LEU HDy% 1.0 0.0 2.9 55 19 B 714 LEU HG A 26 LEU HDx% 1.0 0.0 5.0 56 19 B 714 LEU HG A 26 LEU HDy% 1.0 0.0 5.0 57 20 A 26 LEU HA B 714 LEU HDx% 1.0 0.0 2.9 58 20 B 714 LEU HDy% A 26 LEU HA 1.0 0.0 2.9 59 21 B 714 LEU HG A 26 LEU HA 1.0 0.0 5.0 60 22 A 26 LEU HBx B 714 LEU HDx% 1.0 0.0 5.0 61 22 A 26 LEU HBy B 714 LEU HDx% 1.0 0.0 5.0 62 22 B 714 LEU HDy% A 26 LEU HBx 1.0 0.0 5.0 63 22 B 714 LEU HDy% A 26 LEU HBy 1.0 0.0 5.0 64 23 B 714 LEU HA A 30 LYS HE2 1.0 0.0 3.5 65 23 B 714 LEU HA A 30 LYS HE3 1.0 0.0 3.5 66 24 A 30 LYS HE2 B 714 LEU HDx% 1.0 0.0 2.9 67 24 A 30 LYS HE3 B 714 LEU HDx% 1.0 0.0 2.9 68 24 B 714 LEU HDy% A 30 LYS HE2 1.0 0.0 2.9 69 24 B 714 LEU HDy% A 30 LYS HE3 1.0 0.0 2.9 70 25 A 30 LYS HBx B 714 LEU HDx% 1.0 0.0 2.9 71 25 A 30 LYS HBy B 714 LEU HDx% 1.0 0.0 2.9 72 25 B 714 LEU HDy% A 30 LYS HBx 1.0 0.0 2.9 73 25 B 714 LEU HDy% A 30 LYS HBy 1.0 0.0 2.9 74 26 A 30 LYS HGx B 714 LEU HDx% 1.0 0.0 3.5 75 26 A 30 LYS HGy B 714 LEU HDx% 1.0 0.0 3.5 76 26 B 714 LEU HDy% A 30 LYS HGx 1.0 0.0 3.5 77 26 B 714 LEU HDy% A 30 LYS HGy 1.0 0.0 3.5 78 27 A 31 ILE HD1% B 714 LEU HDx% 1.0 0.0 2.9 79 27 B 714 LEU HDy% A 31 ILE HD1% 1.0 0.0 2.9 80 28 A 31 ILE HG2% B 714 LEU HDx% 1.0 0.0 5.0 81 28 B 714 LEU HDy% A 31 ILE HG2% 1.0 0.0 5.0 82 29 A 150 PHE HD% B 714 LEU HDx% 1.0 0.0 5.0 83 29 B 714 LEU HDy% A 150 PHE HD% 1.0 0.0 5.0 84 30 A 150 PHE HE% B 714 LEU HDx% 1.0 0.0 3.5 85 30 B 714 LEU HDy% A 150 PHE HE% 1.0 0.0 3.5 86 31 A 150 PHE HZ B 714 LEU HDx% 1.0 0.0 2.9 87 31 B 714 LEU HDy% A 150 PHE HZ 1.0 0.0 2.9 88 32 B 714 LEU HG A 150 PHE HE% 1.0 0.0 5.0 89 33 B 713 PRO HA A 152 LEU HDx% 1.0 0.0 5.0 90 33 B 713 PRO HA A 152 LEU HDy% 1.0 0.0 5.0 91 34 A 152 LEU HDx% B 713 PRO HBx 1.0 0.0 2.9 92 34 A 152 LEU HDy% B 713 PRO HBx 1.0 0.0 2.9 93 34 B 713 PRO HBy A 152 LEU HDx% 1.0 0.0 2.9 94 34 B 713 PRO HBy A 152 LEU HDy% 1.0 0.0 2.9 95 35 A 152 LEU HDx% B 714 LEU HDx% 1.0 0.0 2.3 96 35 A 152 LEU HDy% B 714 LEU HDx% 1.0 0.0 2.3 97 35 B 714 LEU HDy% A 152 LEU HDx% 1.0 0.0 2.3 98 35 B 714 LEU HDy% A 152 LEU HDy% 1.0 0.0 2.3 99 36 B 714 LEU HG A 152 LEU HDx% 1.0 0.0 3.5 100 36 B 714 LEU HG A 152 LEU HDy% 1.0 0.0 3.5 101 37 A 152 LEU HDx% B 714 LEU HBx 1.0 0.0 5.0 102 37 B 714 LEU HBy A 152 LEU HDx% 1.0 0.0 5.0 103 37 B 714 LEU HBy A 152 LEU HDy% 1.0 0.0 5.0 104 37 A 152 LEU HDy% B 714 LEU HBx 1.0 0.0 5.0 105 38 A 152 LEU HG B 714 LEU HDx% 1.0 0.0 3.5 106 38 B 714 LEU HDy% A 152 LEU HG 1.0 0.0 3.5 107 39 A 163 TYR HD% B 712 HIS HBx 1.0 0.0 2.9 108 39 A 163 TYR HD% B 712 HIS HBy 1.0 0.0 2.9 109 40 A 163 TYR HE% B 712 HIS HBx 1.0 0.0 3.5 110 40 B 712 HIS HBy A 163 TYR HE% 1.0 0.0 3.5 111 41 B 712 HIS HD2 A 163 TYR HE% 1.0 0.0 2.3 112 42 A 163 TYR HE% B 712 HIS HA 1.0 0.0 5.0 113 43 B 712 HIS HD2 A 163 TYR HD% 1.0 0.0 2.9 114 44 B 712 HIS HE1 A 165 TYR HE% 1.0 0.0 3.5 115 45 B 712 HIS HE1 A 165 TYR HD% 1.0 0.0 5.0 116 46 A 174 VAL HGy% B 712 HIS HBx 1.0 0.0 2.9 117 46 B 712 HIS HBy A 174 VAL HGx% 1.0 0.0 2.9 118 46 B 712 HIS HBy A 174 VAL HGy% 1.0 0.0 2.9 119 46 A 174 VAL HGx% B 712 HIS HBx 1.0 0.0 2.9 120 47 B 712 HIS HD2 A 174 VAL HGx% 1.0 0.0 2.3 121 47 B 712 HIS HD2 A 174 VAL HGy% 1.0 0.0 2.3 122 48 B 712 HIS HA A 174 VAL HGx% 1.0 0.0 5.0 123 48 B 712 HIS HA A 174 VAL HGy% 1.0 0.0 5.0 124 49 B 712 HIS HD2 A 174 VAL HB 1.0 0.0 5.0 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 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 B 709 GLU HA B 710 PHE H 1.0 0.0 2.3 2 2 B 710 PHE H B 709 GLU HBx 1.0 0.0 2.9 3 2 B 710 PHE H B 709 GLU HBy 1.0 0.0 2.9 4 3 B 710 PHE HA B 710 PHE HBx 1.0 0.0 2.9 5 3 B 710 PHE HA B 710 PHE HBy 1.0 0.0 2.9 6 4 B 710 PHE H B 710 PHE HA 1.0 0.0 3.5 7 5 B 710 PHE H B 710 PHE HBx 1.0 0.0 2.9 8 5 B 710 PHE H B 710 PHE HBy 1.0 0.0 2.9 9 6 B 710 PHE HA B 711 CYS H 1.0 0.0 2.3 10 7 B 711 CYS H B 710 PHE HBx 1.0 0.0 5.0 11 7 B 710 PHE HBy B 711 CYS H 1.0 0.0 5.0 12 8 B 711 CYS H B 710 PHE HD% 1.0 0.0 3.5 13 9 B 710 PHE HD% B 715 CYS H 1.0 0.0 3.5 14 10 B 715 CYS H B 710 PHE HE% 1.0 0.0 3.5 15 11 B 711 CYS HBx B 711 CYS HA 1.0 0.0 3.5 16 12 B 711 CYS HA B 711 CYS HBy 1.0 0.0 2.9 17 13 B 711 CYS HBx B 711 CYS H 1.0 0.0 2.9 18 14 B 712 HIS HD2 B 711 CYS HBy 1.0 0.0 3.5 19 14 B 711 CYS HBx B 712 HIS HD2 1.0 0.0 3.5 20 15 B 711 CYS HA B 712 HIS H 1.0 0.0 3.5 21 16 B 712 HIS H B 711 CYS HBy 1.0 0.0 3.5 22 16 B 711 CYS HBx B 712 HIS H 1.0 0.0 3.5 23 17 B 711 CYS H B 712 HIS H 1.0 0.0 2.9 24 18 B 712 HIS HD2 B 712 HIS HBx 1.0 0.0 2.9 25 18 B 712 HIS HD2 B 712 HIS HBy 1.0 0.0 2.9 26 19 B 712 HIS HE1 B 714 LEU HBx 1.0 0.0 5.0 27 19 B 714 LEU HBy B 712 HIS HE1 1.0 0.0 5.0 28 20 B 712 HIS HD2 B 715 CYS H 1.0 0.0 5.0 29 20 B 715 CYS H B 712 HIS HD1 1.0 0.0 5.0 30 21 B 712 HIS HE1 B 715 CYS HA 1.0 0.0 3.5 31 22 B 713 PRO HA B 714 LEU H 1.0 0.0 2.3 32 23 B 713 PRO HA B 714 LEU HDx% 1.0 0.0 3.5 33 23 B 713 PRO HA B 714 LEU HDy% 1.0 0.0 3.5 34 24 B 713 PRO HBx B 714 LEU HDx% 1.0 0.0 2.9 35 24 B 714 LEU HDy% B 713 PRO HBx 1.0 0.0 2.9 36 24 B 713 PRO HBy B 714 LEU HDy% 1.0 0.0 2.9 37 24 B 713 PRO HBy B 714 LEU HDx% 1.0 0.0 2.9 38 25 B 714 LEU HA B 714 LEU HDx% 1.0 0.0 3.5 39 25 B 714 LEU HDy% B 714 LEU HA 1.0 0.0 3.5 40 26 B 714 LEU HG B 714 LEU HA 1.0 0.0 3.5 41 27 B 714 LEU HA B 714 LEU H 1.0 0.0 3.5 42 28 B 714 LEU H B 714 LEU HDx% 1.0 0.0 3.5 43 28 B 714 LEU HDy% B 714 LEU H 1.0 0.0 3.5 44 29 B 714 LEU HBy B 714 LEU HDx% 1.0 0.0 2.3 45 29 B 714 LEU HBx B 714 LEU HDx% 1.0 0.0 2.3 46 29 B 714 LEU HDy% B 714 LEU HBx 1.0 0.0 2.3 47 29 B 714 LEU HDy% B 714 LEU HBy 1.0 0.0 2.3 48 30 B 714 LEU H B 714 LEU HBx 1.0 0.0 3.5 49 31 B 714 LEU HBy B 714 LEU HA 1.0 0.0 2.9 50 32 B 714 LEU HA B 714 LEU HBx 1.0 0.0 3.5 51 33 B 714 LEU HA B 714 LEU HDx% 1.0 0.0 3.5 52 33 B 714 LEU HDy% B 714 LEU HA 1.0 0.0 3.5 53 34 B 714 LEU HBx B 714 LEU HDx% 1.0 0.0 2.9 54 34 B 714 LEU HBy B 714 LEU HDx% 1.0 0.0 2.9 55 34 B 714 LEU HDy% B 714 LEU HBx 1.0 0.0 2.9 56 34 B 714 LEU HDy% B 714 LEU HBy 1.0 0.0 2.9 57 35 B 715 CYS H B 714 LEU H 1.0 0.0 3.5 58 36 B 714 LEU HA B 715 CYS H 1.0 0.0 2.9 59 37 B 714 LEU HDy% B 716 GLN HE21 1.0 0.0 2.9 60 37 B 716 GLN HE22 B 714 LEU HDx% 1.0 0.0 2.9 61 37 B 714 LEU HDy% B 716 GLN HE22 1.0 0.0 2.9 62 37 B 714 LEU HDx% B 716 GLN HE21 1.0 0.0 2.9 63 38 B 715 CYS H B 715 CYS HBx 1.0 0.0 2.9 64 39 B 715 CYS H B 715 CYS HBy 1.0 0.0 2.9 65 40 B 715 CYS HA B 715 CYS HBx 1.0 0.0 2.9 66 41 B 715 CYS HA B 715 CYS HBy 1.0 0.0 3.5 67 42 B 715 CYS HA B 716 GLN H 1.0 0.0 2.3 68 43 B 716 GLN H B 715 CYS HBy 1.0 0.0 5.0 69 43 B 716 GLN H B 715 CYS HBx 1.0 0.0 5.0 70 44 B 715 CYS HA B 717 CYS H 1.0 0.0 2.9 71 45 B 717 CYS H B 715 CYS HBy 1.0 0.0 5.0 72 45 B 715 CYS HBx B 717 CYS H 1.0 0.0 5.0 73 46 B 713 PRO HBy B 714 LEU HDx% 1.0 0.0 3.5 74 46 B 714 LEU HDy% B 713 PRO HBx 1.0 0.0 3.5 75 46 B 713 PRO HBy B 714 LEU HDy% 1.0 0.0 3.5 76 46 B 713 PRO HBx B 714 LEU HDx% 1.0 0.0 3.5 77 47 B 716 GLN HA B 716 GLN HBx 1.0 0.0 3.5 78 48 B 716 GLN HA B 716 GLN HBy 1.0 0.0 2.9 79 49 B 716 GLN H B 716 GLN HA 1.0 0.0 2.9 80 50 B 716 GLN H B 716 GLN HBx 1.0 0.0 2.9 81 51 B 716 GLN HA B 716 GLN HGx 1.0 0.0 2.3 82 51 B 716 GLN HA B 716 GLN HGy 1.0 0.0 2.3 83 52 B 716 GLN H B 717 CYS H 1.0 0.0 2.9 84 53 B 717 CYS H B 716 GLN HA 1.0 0.0 2.9 85 54 B 717 CYS HA B 717 CYS HBx 1.0 0.0 2.9 86 55 B 717 CYS HA B 717 CYS HBy 1.0 0.0 2.9 87 56 B 717 CYS H B 717 CYS HBy 1.0 0.0 2.9 88 57 B 717 CYS HA B 718 PRO HDy 1.0 0.0 2.3 89 57 B 717 CYS HA B 718 PRO HDx 1.0 0.0 2.3 90 58 B 717 CYS HA B 718 PRO HA 1.0 0.0 5.0 91 59 B 717 CYS HA B 718 PRO HBx 1.0 0.0 5.0 92 59 B 717 CYS HA B 718 PRO HBy 1.0 0.0 5.0 93 60 B 718 PRO HA B 717 CYS HBy 1.0 0.0 5.0 94 60 B 718 PRO HA B 717 CYS HBx 1.0 0.0 5.0 95 61 B 717 CYS HBx B 718 PRO HDy 1.0 0.0 2.3 96 61 B 717 CYS HBy B 718 PRO HDy 1.0 0.0 2.3 97 61 B 718 PRO HDx B 717 CYS HBy 1.0 0.0 2.3 98 61 B 718 PRO HDx B 717 CYS HBx 1.0 0.0 2.3 99 62 B 719 LYS H B 717 CYS HBy 1.0 0.0 2.9 100 62 B 717 CYS HBx B 719 LYS H 1.0 0.0 2.9 101 63 B 720 CYS H B 717 CYS HBy 1.0 0.0 2.9 102 63 B 717 CYS HBx B 720 CYS H 1.0 0.0 2.9 103 64 B 718 PRO HA B 719 LYS H 1.0 0.0 3.5 104 65 B 719 LYS H B 718 PRO HBx 1.0 0.0 2.9 105 65 B 718 PRO HBy B 719 LYS H 1.0 0.0 2.9 106 66 B 719 LYS H B 718 PRO HGx 1.0 0.0 2.9 107 66 B 719 LYS H B 718 PRO HGy 1.0 0.0 2.9 108 67 B 719 LYS H B 718 PRO HDy 1.0 0.0 2.9 109 67 B 718 PRO HDx B 719 LYS H 1.0 0.0 2.9 110 68 B 718 PRO HA B 720 CYS H 1.0 0.0 5.0 111 69 B 720 CYS H B 718 PRO HBx 1.0 0.0 3.5 112 69 B 718 PRO HBy B 720 CYS H 1.0 0.0 3.5 113 70 B 720 CYS H B 718 PRO HGx 1.0 0.0 3.5 114 70 B 720 CYS H B 718 PRO HGy 1.0 0.0 3.5 115 71 B 720 CYS H B 718 PRO HDy 1.0 0.0 3.5 116 71 B 718 PRO HDx B 720 CYS H 1.0 0.0 3.5 117 72 B 719 LYS HA B 719 LYS HBx 1.0 0.0 3.5 118 73 B 719 LYS HA B 719 LYS HBy 1.0 0.0 2.9 119 74 B 719 LYS H B 719 LYS HBx 1.0 0.0 2.9 120 75 B 719 LYS HA B 719 LYS HGx 1.0 0.0 2.9 121 75 B 719 LYS HA B 719 LYS HGy 1.0 0.0 2.9 122 76 B 719 LYS HA B 719 LYS HBx 1.0 0.0 2.3 123 76 B 719 LYS HA B 719 LYS HBy 1.0 0.0 2.3 124 77 B 720 CYS H B 719 LYS HA 1.0 0.0 3.5 125 78 B 720 CYS H B 719 LYS HBx 1.0 0.0 2.9 126 78 B 720 CYS H B 719 LYS HBy 1.0 0.0 2.9 127 79 B 719 LYS H B 720 CYS H 1.0 0.0 2.3 128 80 B 719 LYS H B 721 ALA H 1.0 0.0 3.5 129 81 B 721 ALA HB% B 719 LYS HBx 1.0 0.0 2.9 130 81 B 719 LYS HBy B 721 ALA HB% 1.0 0.0 2.9 131 82 B 721 ALA HA B 719 LYS HBx 1.0 0.0 5.0 132 82 B 719 LYS HBy B 721 ALA HA 1.0 0.0 5.0 133 83 B 721 ALA HB% B 719 LYS HGx 1.0 0.0 3.5 134 83 B 719 LYS HGy B 721 ALA HB% 1.0 0.0 3.5 135 84 B 721 ALA HB% B 719 LYS HDx 1.0 0.0 3.5 136 84 B 721 ALA HB% B 719 LYS HDy 1.0 0.0 3.5 137 85 B 720 CYS H B 721 ALA H 1.0 0.0 2.9 138 86 B 720 CYS HA B 720 CYS HBx 1.0 0.0 3.5 139 87 B 720 CYS HA B 720 CYS HBy 1.0 0.0 2.9 140 88 B 720 CYS H B 720 CYS HBx 1.0 0.0 3.5 141 89 B 721 ALA H B 720 CYS HA 1.0 0.0 2.9 142 90 B 721 ALA H B 720 CYS HBy 1.0 0.0 5.0 143 90 B 721 ALA H B 720 CYS HBx 1.0 0.0 5.0 144 91 B 720 CYS H B 721 ALA H 1.0 0.0 2.9 145 92 B 721 ALA HB% B 720 CYS HBy 1.0 0.0 5.0 146 92 B 721 ALA HB% B 720 CYS HBx 1.0 0.0 5.0 147 93 B 721 ALA HB% B 720 CYS HA 1.0 0.0 5.0 148 94 B 721 ALA HA B 720 CYS HA 1.0 0.0 5.0 149 95 B 721 ALA H B 721 ALA HA 1.0 0.0 2.9 150 96 B 721 ALA H B 721 ALA HB% 1.0 0.0 2.9 151 97 B 721 ALA HA B 722 PRO HDx 1.0 0.0 2.3 152 97 B 721 ALA HA B 722 PRO HDy 1.0 0.0 2.3 153 98 B 721 ALA HB% B 722 PRO HDx 1.0 0.0 2.9 154 98 B 721 ALA HB% B 722 PRO HDy 1.0 0.0 2.9 155 99 A 2 LEU HA A 2 LEU HDx% 1.0 0.0 2.9 156 99 A 2 LEU HDy% A 2 LEU HA 1.0 0.0 2.9 157 100 A 2 LEU HA A 3 VAL H 1.0 0.0 2.3 158 101 A 2 LEU H A 2 LEU HDx% 1.0 0.0 3.5 159 101 A 2 LEU HDy% A 2 LEU H 1.0 0.0 3.5 160 102 A 2 LEU HA A 2 LEU HDx% 1.0 0.0 2.9 161 102 A 2 LEU HDy% A 2 LEU HA 1.0 0.0 2.9 162 103 A 2 LEU H A 2 LEU HBy 1.0 0.0 2.3 163 103 A 2 LEU H A 2 LEU HBx 1.0 0.0 2.3 164 104 A 2 LEU HBy A 2 LEU HDx% 1.0 0.0 2.3 165 104 A 2 LEU HDy% A 2 LEU HBy 1.0 0.0 2.3 166 104 A 2 LEU HDy% A 2 LEU HBx 1.0 0.0 2.3 167 104 A 2 LEU HBx A 2 LEU HDx% 1.0 0.0 2.3 168 105 A 152 LEU HA A 2 LEU HDx% 1.0 0.0 3.5 169 105 A 2 LEU HDy% A 152 LEU HA 1.0 0.0 3.5 170 106 A 154 ASP HA A 2 LEU HDx% 1.0 0.0 3.5 171 106 A 2 LEU HDy% A 154 ASP HA 1.0 0.0 3.5 172 107 A 2 LEU HDy% A 154 ASP HBx 1.0 0.0 2.9 173 107 A 2 LEU HDx% A 154 ASP HBx 1.0 0.0 2.9 174 107 A 154 ASP HBy A 2 LEU HDx% 1.0 0.0 2.9 175 107 A 2 LEU HDy% A 154 ASP HBy 1.0 0.0 2.9 176 108 A 31 ILE HG2% A 3 VAL HA 1.0 0.0 3.5 177 109 A 5 VAL H A 4 LEU HDx% 1.0 0.0 3.5 178 110 A 4 LEU HBy A 26 LEU HDx% 1.0 0.0 7.0 179 110 A 4 LEU HBx A 26 LEU HDx% 1.0 0.0 7.0 180 110 A 26 LEU HDy% A 4 LEU HBy 1.0 0.0 7.0 181 110 A 26 LEU HDy% A 4 LEU HBx 1.0 0.0 7.0 182 111 A 4 LEU HDx% A 26 LEU HDx% 1.0 0.0 2.3 183 111 A 4 LEU HDy% A 26 LEU HDx% 1.0 0.0 2.3 184 111 A 26 LEU HDy% A 4 LEU HDy% 1.0 0.0 2.3 185 111 A 26 LEU HDy% A 4 LEU HDx% 1.0 0.0 2.3 186 112 A 152 LEU HA A 4 LEU HA 1.0 0.0 5.0 187 113 A 4 LEU HA A 152 LEU HDx% 1.0 0.0 3.5 188 113 A 152 LEU HDy% A 4 LEU HA 1.0 0.0 3.5 189 114 A 152 LEU HA A 4 LEU HDx% 1.0 0.0 5.0 190 115 A 6 LEU HBx A 26 LEU HDx% 1.0 0.0 5.0 191 115 A 6 LEU HBy A 26 LEU HDx% 1.0 0.0 5.0 192 115 A 26 LEU HDy% A 6 LEU HBy 1.0 0.0 5.0 193 115 A 26 LEU HDy% A 6 LEU HBx 1.0 0.0 5.0 194 116 A 6 LEU HDx% A 26 LEU HDx% 1.0 0.0 3.5 195 116 A 6 LEU HDy% A 26 LEU HDx% 1.0 0.0 3.5 196 116 A 26 LEU HDy% A 6 LEU HDx% 1.0 0.0 3.5 197 116 A 26 LEU HDy% A 6 LEU HDy% 1.0 0.0 3.5 198 117 A 6 LEU HA A 150 PHE HA 1.0 0.0 3.5 199 118 A 150 PHE HD% A 6 LEU HDx% 1.0 0.0 5.0 200 118 A 150 PHE HD% A 6 LEU HDy% 1.0 0.0 5.0 201 119 A 150 PHE HE% A 6 LEU HDx% 1.0 0.0 5.0 202 119 A 150 PHE HE% A 6 LEU HDy% 1.0 0.0 5.0 203 120 A 6 LEU HBy A 150 PHE HBx 1.0 0.0 2.9 204 120 A 6 LEU HBx A 150 PHE HBx 1.0 0.0 2.9 205 120 A 150 PHE HBy A 6 LEU HBy 1.0 0.0 2.9 206 120 A 6 LEU HBx A 150 PHE HBy 1.0 0.0 2.9 207 121 A 6 LEU HDy% A 150 PHE HBx 1.0 0.0 2.9 208 121 A 6 LEU HDx% A 150 PHE HBx 1.0 0.0 2.9 209 121 A 150 PHE HBy A 6 LEU HDx% 1.0 0.0 2.9 210 121 A 6 LEU HDy% A 150 PHE HBy 1.0 0.0 2.9 211 122 A 22 PHE HE% A 25 LEU HDx% 1.0 0.0 2.9 212 122 A 25 LEU HDy% A 22 PHE HE% 1.0 0.0 2.9 213 123 A 22 PHE HD% A 25 LEU HDx% 1.0 0.0 2.9 214 123 A 25 LEU HDy% A 22 PHE HD% 1.0 0.0 2.9 215 124 A 22 PHE HZ A 25 LEU HDx% 1.0 0.0 5.0 216 124 A 25 LEU HDy% A 22 PHE HZ 1.0 0.0 5.0 217 125 A 22 PHE HD% A 25 LEU HBy 1.0 0.0 3.5 218 125 A 25 LEU HBx A 22 PHE HD% 1.0 0.0 3.5 219 126 A 22 PHE HE% A 25 LEU HBy 1.0 0.0 5.0 220 126 A 25 LEU HBx A 22 PHE HE% 1.0 0.0 5.0 221 127 A 22 PHE HA A 25 LEU H 1.0 0.0 3.5 222 128 A 22 PHE HA A 25 LEU HBy 1.0 0.0 2.3 223 128 A 25 LEU HBx A 22 PHE HA 1.0 0.0 2.3 224 129 A 22 PHE HA A 25 LEU HDx% 1.0 0.0 2.9 225 129 A 25 LEU HDy% A 22 PHE HA 1.0 0.0 2.9 226 130 A 23 LYS HA A 26 LEU HDx% 1.0 0.0 3.5 227 130 A 26 LEU HDy% A 23 LYS HA 1.0 0.0 3.5 228 131 A 25 LEU HA A 25 LEU HDx% 1.0 0.0 2.9 229 131 A 25 LEU HDy% A 25 LEU HA 1.0 0.0 2.9 230 132 A 25 LEU H A 25 LEU HDx% 1.0 0.0 3.5 231 132 A 25 LEU HDy% A 25 LEU H 1.0 0.0 3.5 232 133 A 25 LEU HA A 25 LEU H 1.0 0.0 2.9 233 134 A 25 LEU H A 25 LEU HBy 1.0 0.0 2.9 234 134 A 25 LEU HBx A 25 LEU H 1.0 0.0 2.9 235 135 A 25 LEU HDx% A 150 PHE HBx 1.0 0.0 7.0 236 135 A 150 PHE HBy A 25 LEU HDx% 1.0 0.0 7.0 237 135 A 25 LEU HDy% A 150 PHE HBy 1.0 0.0 7.0 238 135 A 25 LEU HDy% A 150 PHE HBx 1.0 0.0 7.0 239 136 A 150 PHE HE% A 25 LEU HDx% 1.0 0.0 2.3 240 136 A 25 LEU HDy% A 150 PHE HE% 1.0 0.0 2.3 241 137 A 165 TYR HD% A 25 LEU HDx% 1.0 0.0 2.9 242 137 A 25 LEU HDy% A 165 TYR HD% 1.0 0.0 2.9 243 138 A 165 TYR HE% A 25 LEU HDx% 1.0 0.0 2.9 244 138 A 25 LEU HDy% A 165 TYR HE% 1.0 0.0 2.9 245 139 A 26 LEU HA A 27 VAL HGx% 1.0 0.0 3.5 246 139 A 26 LEU HA A 27 VAL HGy% 1.0 0.0 3.5 247 140 A 26 LEU HA A 27 VAL H 1.0 0.0 2.3 248 141 A 31 ILE HD1% A 26 LEU HDx% 1.0 0.0 2.9 249 141 A 26 LEU HDy% A 31 ILE HD1% 1.0 0.0 2.9 250 142 A 26 LEU HDy% A 52 LEU HDx% 1.0 0.0 2.9 251 142 A 26 LEU HDx% A 52 LEU HDx% 1.0 0.0 2.9 252 142 A 52 LEU HDy% A 26 LEU HDx% 1.0 0.0 2.9 253 142 A 26 LEU HDy% A 52 LEU HDy% 1.0 0.0 2.9 254 143 A 150 PHE HD% A 26 LEU HDx% 1.0 0.0 3.5 255 143 A 26 LEU HDy% A 150 PHE HD% 1.0 0.0 3.5 256 144 A 150 PHE HE% A 26 LEU HDx% 1.0 0.0 2.9 257 144 A 26 LEU HDy% A 150 PHE HE% 1.0 0.0 2.9 258 145 A 150 PHE HZ A 26 LEU HDx% 1.0 0.0 3.5 259 145 A 26 LEU HDy% A 150 PHE HZ 1.0 0.0 3.5 260 146 A 26 LEU HDy% A 152 LEU HDx% 1.0 0.0 3.5 261 146 A 26 LEU HDx% A 152 LEU HDx% 1.0 0.0 3.5 262 146 A 152 LEU HDy% A 26 LEU HDx% 1.0 0.0 3.5 263 146 A 26 LEU HDy% A 152 LEU HDy% 1.0 0.0 3.5 264 147 A 27 VAL HGy% A 30 LYS HGx 1.0 0.0 3.5 265 147 A 27 VAL HGx% A 30 LYS HGx 1.0 0.0 3.5 266 147 A 30 LYS HGy A 27 VAL HGx% 1.0 0.0 3.5 267 147 A 30 LYS HGy A 27 VAL HGy% 1.0 0.0 3.5 268 148 A 27 VAL HGy% A 30 LYS HE2 1.0 0.0 3.5 269 148 A 27 VAL HGx% A 30 LYS HE2 1.0 0.0 3.5 270 148 A 30 LYS HE3 A 27 VAL HGx% 1.0 0.0 3.5 271 148 A 30 LYS HE3 A 27 VAL HGy% 1.0 0.0 3.5 272 149 A 30 LYS HA A 27 VAL HGx% 1.0 0.0 5.0 273 149 A 27 VAL HGy% A 30 LYS HA 1.0 0.0 5.0 274 150 A 27 VAL HGx% A 30 LYS HBx 1.0 0.0 3.5 275 150 A 27 VAL HGy% A 30 LYS HBx 1.0 0.0 3.5 276 150 A 30 LYS HBy A 27 VAL HGx% 1.0 0.0 3.5 277 150 A 30 LYS HBy A 27 VAL HGy% 1.0 0.0 3.5 278 151 A 30 LYS HA A 30 LYS H 1.0 0.0 2.9 279 152 A 30 LYS H A 30 LYS HBx 1.0 0.0 2.9 280 152 A 30 LYS HBy A 30 LYS H 1.0 0.0 2.9 281 153 A 30 LYS H A 30 LYS HDx 1.0 0.0 5.0 282 153 A 30 LYS H A 30 LYS HDy 1.0 0.0 5.0 283 154 A 30 LYS HA A 30 LYS HDx 1.0 0.0 2.9 284 154 A 30 LYS HA A 30 LYS HDy 1.0 0.0 2.9 285 155 A 30 LYS H A 30 LYS HGx 1.0 0.0 5.0 286 155 A 30 LYS HGy A 30 LYS H 1.0 0.0 5.0 287 156 A 30 LYS HA A 30 LYS HGx 1.0 0.0 2.9 288 156 A 30 LYS HGy A 30 LYS HA 1.0 0.0 2.9 289 157 A 30 LYS HE3 A 30 LYS HGx 1.0 0.0 2.9 290 157 A 30 LYS HE2 A 30 LYS HGx 1.0 0.0 2.9 291 157 A 30 LYS HGy A 30 LYS HE2 1.0 0.0 2.9 292 157 A 30 LYS HE3 A 30 LYS HGy 1.0 0.0 2.9 293 158 A 30 LYS HBy A 30 LYS HE2 1.0 0.0 2.9 294 158 A 30 LYS HBx A 30 LYS HE2 1.0 0.0 2.9 295 158 A 30 LYS HE3 A 30 LYS HBx 1.0 0.0 2.9 296 158 A 30 LYS HE3 A 30 LYS HBy 1.0 0.0 2.9 297 159 A 30 LYS H A 31 ILE H 1.0 0.0 2.3 298 160 A 31 ILE HD1% A 30 LYS HBx 1.0 0.0 3.5 299 160 A 30 LYS HBy A 31 ILE HD1% 1.0 0.0 3.5 300 161 A 31 ILE HG2% A 30 LYS HE2 1.0 0.0 5.0 301 161 A 30 LYS HE3 A 31 ILE HG2% 1.0 0.0 5.0 302 162 A 31 ILE HA A 32 GLN H 1.0 0.0 2.3 303 163 A 149 SER HA A 150 PHE H 1.0 0.0 2.3 304 164 A 150 PHE HD% A 150 PHE HA 1.0 0.0 3.5 305 165 A 150 PHE HD% A 150 PHE H 1.0 0.0 2.9 306 166 A 150 PHE HA A 150 PHE H 1.0 0.0 2.9 307 167 A 150 PHE H A 150 PHE HBx 1.0 0.0 2.9 308 167 A 150 PHE HBy A 150 PHE H 1.0 0.0 2.9 309 168 A 150 PHE HA A 151 VAL H 1.0 0.0 2.3 310 169 A 150 PHE HD% A 151 VAL H 1.0 0.0 2.9 311 170 A 150 PHE HD% A 152 LEU H 1.0 0.0 5.0 312 171 A 150 PHE HD% A 152 LEU HDx% 1.0 0.0 5.0 313 171 A 150 PHE HD% A 152 LEU HDy% 1.0 0.0 5.0 314 172 A 150 PHE HE% A 152 LEU HDx% 1.0 0.0 2.9 315 172 A 150 PHE HE% A 152 LEU HDy% 1.0 0.0 2.9 316 173 A 150 PHE HZ A 152 LEU HDx% 1.0 0.0 2.9 317 173 A 150 PHE HZ A 152 LEU HDy% 1.0 0.0 2.9 318 174 A 150 PHE HE% A 165 TYR HD% 1.0 0.0 2.9 319 175 A 150 PHE HE% A 165 TYR HE% 1.0 0.0 2.3 320 176 A 150 PHE HD% A 165 TYR HD% 1.0 0.0 2.9 321 177 A 150 PHE HD% A 165 TYR HE% 1.0 0.0 3.5 322 178 A 150 PHE H A 165 TYR H 1.0 0.0 3.5 323 179 A 152 LEU H A 151 VAL HA 1.0 0.0 2.3 324 180 A 165 TYR H A 151 VAL HA 1.0 0.0 5.0 325 181 A 152 LEU HA A 152 LEU H 1.0 0.0 2.9 326 182 A 152 LEU H A 152 LEU HBx 1.0 0.0 2.9 327 182 A 152 LEU H A 152 LEU HBy 1.0 0.0 2.9 328 183 A 152 LEU HA A 152 LEU HDx% 1.0 0.0 3.5 329 183 A 152 LEU HDy% A 152 LEU HA 1.0 0.0 3.5 330 184 A 152 LEU H A 152 LEU HDx% 1.0 0.0 5.0 331 184 A 152 LEU HDy% A 152 LEU H 1.0 0.0 5.0 332 185 A 152 LEU HA A 153 MET H 1.0 0.0 2.3 333 186 A 152 LEU HDy% A 154 ASP HBx 1.0 0.0 5.0 334 186 A 154 ASP HBy A 152 LEU HDx% 1.0 0.0 5.0 335 186 A 152 LEU HDy% A 154 ASP HBy 1.0 0.0 5.0 336 186 A 152 LEU HDx% A 154 ASP HBx 1.0 0.0 5.0 337 187 A 165 TYR HD% A 152 LEU HDx% 1.0 0.0 3.5 338 187 A 152 LEU HDy% A 165 TYR HD% 1.0 0.0 3.5 339 188 A 165 TYR HE% A 152 LEU HDx% 1.0 0.0 2.9 340 188 A 152 LEU HDy% A 165 TYR HE% 1.0 0.0 2.9 341 189 A 163 TYR HE% A 161 VAL HGx% 1.0 0.0 2.9 342 189 A 163 TYR HE% A 161 VAL HGy% 1.0 0.0 2.9 343 190 A 163 TYR HD% A 161 VAL HGx% 1.0 0.0 2.9 344 190 A 163 TYR HD% A 161 VAL HGy% 1.0 0.0 2.9 345 191 A 162 THR HA A 163 TYR H 1.0 0.0 2.3 346 192 A 163 TYR HA A 164 VAL H 1.0 0.0 2.3 347 193 A 163 TYR HA A 164 VAL HGx% 1.0 0.0 5.0 348 193 A 163 TYR HA A 164 VAL HGy% 1.0 0.0 5.0 349 194 A 163 TYR H A 164 VAL HGx% 1.0 0.0 5.0 350 194 A 163 TYR H A 164 VAL HGy% 1.0 0.0 5.0 351 195 A 163 TYR H A 163 TYR HA 1.0 0.0 2.9 352 196 A 163 TYR H A 163 TYR HBy 1.0 0.0 2.9 353 196 A 163 TYR H A 163 TYR HBx 1.0 0.0 2.9 354 197 A 163 TYR HD% A 163 TYR H 1.0 0.0 3.5 355 198 A 163 TYR HD% A 163 TYR HA 1.0 0.0 2.9 356 199 A 163 TYR HA A 164 VAL H 1.0 0.0 2.3 357 200 A 163 TYR H A 164 VAL HGx% 1.0 0.0 5.0 358 200 A 163 TYR H A 164 VAL HGy% 1.0 0.0 5.0 359 201 A 163 TYR HD% A 164 VAL HGx% 1.0 0.0 5.0 360 201 A 163 TYR HD% A 164 VAL HGy% 1.0 0.0 5.0 361 202 A 163 TYR HE% A 165 TYR HE% 1.0 0.0 3.5 362 203 A 163 TYR HD% A 165 TYR HE% 1.0 0.0 2.3 363 204 A 163 TYR HE% A 165 TYR HD% 1.0 0.0 5.0 364 205 A 163 TYR HD% A 165 TYR HD% 1.0 0.0 5.0 365 206 A 163 TYR HD% A 174 VAL HGy% 1.0 0.0 2.3 366 207 A 163 TYR HE% A 174 VAL HGy% 1.0 0.0 2.3 367 208 A 163 TYR HA A 176 ARG HA 1.0 0.0 2.9 368 209 A 165 TYR H A 164 VAL HA 1.0 0.0 2.3 369 210 A 165 TYR HA A 166 GLN H 1.0 0.0 2.3 370 211 A 165 TYR HD% A 165 TYR H 1.0 0.0 2.9 371 212 A 165 TYR HD% A 165 TYR HA 1.0 0.0 2.9 372 213 A 165 TYR H A 165 TYR HA 1.0 0.0 2.9 373 214 A 165 TYR H A 165 TYR HBx 1.0 0.0 2.9 374 214 A 165 TYR H A 165 TYR HBy 1.0 0.0 2.9 375 215 A 165 TYR HD% A 174 VAL HGx% 1.0 0.0 2.3 376 215 A 165 TYR HD% A 174 VAL HGy% 1.0 0.0 2.3 377 216 A 165 TYR HE% A 174 VAL HGx% 1.0 0.0 2.3 378 216 A 165 TYR HE% A 174 VAL HGy% 1.0 0.0 2.3 379 217 A 165 TYR HA A 174 VAL HA 1.0 0.0 2.9 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _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 B 711 CYS SG B 715 CYS SG 1.0 3.6 3.9 2 2 B 711 CYS SG B 717 CYS SG 1.0 3.6 3.9 3 3 B 711 CYS SG B 720 CYS SG 1.0 3.6 3.9 4 4 B 715 CYS SG B 717 CYS SG 1.0 3.6 3.9 5 5 B 715 CYS SG B 720 CYS SG 1.0 3.6 3.9 6 6 B 717 CYS SG B 720 CYS SG 1.0 3.6 3.9 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 B 711 CYS N B 711 CYS CA B 711 CYS CB B 711 CYS SG 1.0 -80.0 -40.0 CHI1 2 2 B 715 CYS N B 715 CYS CA B 715 CYS CB B 715 CYS SG 1.0 160.0 200.0 CHI1 3 3 B 717 CYS N B 717 CYS CA B 717 CYS CB B 717 CYS SG 1.0 40.0 80.0 CHI1 4 4 B 720 CYS N B 720 CYS CA B 720 CYS CB B 720 CYS SG 1.0 -80.0 -40.0 CHI1 5 5 B 693 GLU N B 693 GLU CA B 693 GLU CB B 693 GLU CG 1.0 -80.0 -40.0 CHI1 6 6 B 701 ASP N B 701 ASP CA B 701 ASP CB B 701 ASP CG 1.0 40.0 80.0 CHI1 7 7 B 710 PHE N B 710 PHE CA B 710 PHE CB B 710 PHE CG 1.0 -80.0 -40.0 CHI1 8 8 B 712 HIS N B 712 HIS CA B 712 HIS CB B 712 HIS CG 1.0 40.0 80.0 CHI1 9 9 B 714 LEU N B 714 LEU CA B 714 LEU CB B 714 LEU CG 1.0 -80.0 -40.0 CHI1 10 10 B 716 GLN N B 716 GLN CA B 716 GLN CB B 716 GLN CG 1.0 -80.0 -40.0 CHI1 11 11 B 719 LYS N B 719 LYS CA B 719 LYS CB B 719 LYS CG 1.0 -80.0 -40.0 CHI1 stop_ save_