data_nef_c18768_2lzp save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 18769 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASP start . . 2 A 2 THR middle . . 3 A 3 GLU middle . . 4 A 4 ILE middle . . 5 A 5 ILE middle . . 6 A 6 GLY middle . false 7 A 7 GLY middle . false 8 A 8 LEU middle . . 9 A 9 THR middle . . 10 A 10 ILE middle . . 11 A 11 PRO middle . false 12 A 12 PRO middle . false 13 A 13 VAL middle . . 14 A 14 VAL middle . . 15 A 15 ALA middle . . 16 A 16 LEU middle . . 17 A 17 VAL middle . . 18 A 18 VAL middle . . 19 A 19 MET middle . . 20 A 20 SER middle . . 21 A 21 ARG middle . . 22 A 22 PHE middle . . 23 A 23 GLY middle . false 24 A 24 PHE middle . . 25 A 25 PHE middle . . 26 A 26 ALA middle . . 27 A 27 HIS middle . . 28 A 28 LEU middle . . 29 A 29 LEU middle . . 30 A 30 PRO middle . false 31 A 31 ARG end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASP HA H 1 4.450 0.01 A 1 ASP HBy H 1 3.126 0.01 A 1 ASP HBx H 1 3.037 0.01 A 1 ASP CA C 13 52.932 0.01 A 1 ASP CB C 13 38.066 0.01 A 2 THR H H 1 8.563 0.01 A 2 THR HA H 1 4.415 0.01 A 2 THR HB H 1 4.236 0.01 A 2 THR HG2% H 1 1.269 0.01 A 2 THR CA C 13 62.574 0.01 A 2 THR CB C 13 70.078 0.01 A 2 THR CG2 C 13 21.498 0.01 A 3 GLU H H 1 8.275 0.01 A 3 GLU HA H 1 4.482 0.01 A 3 GLU HBy H 1 2.148 0.01 A 3 GLU HBx H 1 2.036 0.01 A 3 GLU HG2 H 1 2.487 0.01 A 3 GLU HG3 H 1 2.487 0.01 A 3 GLU CA C 13 56.132 0.01 A 3 GLU CB C 13 29.284 0.01 A 3 GLU CG C 13 32.808 0.01 A 4 ILE H H 1 8.003 0.01 A 4 ILE HA H 1 4.211 0.01 A 4 ILE HB H 1 1.907 0.01 A 4 ILE HD1% H 1 0.910 0.01 A 4 ILE HG1y H 1 1.542 0.01 A 4 ILE HG1x H 1 1.223 0.01 A 4 ILE HG2% H 1 0.963 0.01 A 4 ILE CA C 13 61.753 0.01 A 4 ILE CB C 13 39.574 0.01 A 4 ILE CD1 C 13 12.565 0.01 A 4 ILE CG1 C 13 27.606 0.01 A 4 ILE CG2 C 13 17.294 0.01 A 5 ILE H H 1 7.810 0.01 A 5 ILE HA H 1 4.214 0.01 A 5 ILE HB H 1 1.929 0.01 A 5 ILE HD1% H 1 0.909 0.01 A 5 ILE HG1y H 1 1.556 0.01 A 5 ILE HG1x H 1 1.216 0.01 A 5 ILE HG2% H 1 0.930 0.01 A 5 ILE CA C 13 61.756 0.01 A 5 ILE CB C 13 39.106 0.01 A 5 ILE CD1 C 13 12.557 0.01 A 5 ILE CG1 C 13 27.606 0.01 A 5 ILE CG2 C 13 17.303 0.01 A 6 GLY H H 1 8.225 0.01 A 6 GLY HAy H 1 4.003 0.01 A 6 GLY HAx H 1 3.933 0.01 A 6 GLY CA C 13 45.693 0.01 A 7 GLY H H 1 8.072 0.01 A 7 GLY HA2 H 1 3.981 0.01 A 7 GLY HA3 H 1 3.981 0.01 A 7 GLY CA C 13 45.509 0.01 A 8 LEU H H 1 7.830 0.01 A 8 LEU HA H 1 4.495 0.01 A 8 LEU HB2 H 1 1.694 0.01 A 8 LEU HB3 H 1 1.694 0.01 A 8 LEU HDx% H 1 0.973 0.01 A 8 LEU HDy% H 1 0.934 0.01 A 8 LEU CA C 13 55.551 0.01 A 8 LEU CB C 13 43.092 0.01 A 8 LEU CDy C 13 24.607 0.01 A 8 LEU CDx C 13 23.401 0.01 A 9 THR H H 1 7.950 0.01 A 9 THR HA H 1 4.407 0.01 A 9 THR HB H 1 4.234 0.01 A 9 THR HG2% H 1 1.211 0.01 A 9 THR CA C 13 61.813 0.01 A 9 THR CB C 13 70.065 0.01 A 9 THR CG2 C 13 21.260 0.01 A 10 ILE H H 1 7.704 0.01 A 10 ILE HA H 1 4.604 0.01 A 10 ILE HB H 1 1.907 0.01 A 10 ILE HD1% H 1 0.893 0.01 A 10 ILE HG1y H 1 1.568 0.01 A 10 ILE HG1x H 1 1.203 0.01 A 10 ILE HG2% H 1 1.007 0.01 A 10 ILE CA C 13 58.727 0.01 A 10 ILE CB C 13 39.166 0.01 A 10 ILE CD1 C 13 12.448 0.01 A 10 ILE CG1 C 13 27.020 0.01 A 10 ILE CG2 C 13 17.165 0.01 A 11 PRO HA H 1 4.699 0.01 A 11 PRO HBy H 1 2.494 0.01 A 11 PRO HBx H 1 1.933 0.01 A 11 PRO HDy H 1 4.089 0.01 A 11 PRO HDx H 1 3.611 0.01 A 11 PRO HG2 H 1 2.157 0.01 A 11 PRO HG3 H 1 2.157 0.01 A 11 PRO CA C 13 62.539 0.01 A 11 PRO CB C 13 31.419 0.01 A 11 PRO CD C 13 50.965 0.01 A 11 PRO CG C 13 27.742 0.01 A 12 PRO HA H 1 4.397 0.01 A 12 PRO HBy H 1 2.391 0.01 A 12 PRO HBx H 1 2.018 0.01 A 12 PRO HDy H 1 3.922 0.01 A 12 PRO HDx H 1 3.768 0.01 A 12 PRO HG2 H 1 2.141 0.01 A 12 PRO HG3 H 1 2.141 0.01 A 12 PRO CA C 13 65.575 0.01 A 12 PRO CB C 13 31.651 0.01 A 12 PRO CD C 13 50.630 0.01 A 12 PRO CG C 13 27.734 0.01 A 13 VAL H H 1 7.170 0.01 A 13 VAL HA H 1 3.906 0.01 A 13 VAL HB H 1 2.142 0.01 A 13 VAL HGx% H 1 1.056 0.01 A 13 VAL HGy% H 1 1.007 0.01 A 13 VAL CA C 13 65.526 0.01 A 13 VAL CB C 13 32.068 0.01 A 13 VAL CGy C 13 22.370 0.01 A 13 VAL CGx C 13 20.465 0.01 A 14 VAL H H 1 7.270 0.01 A 14 VAL HA H 1 3.666 0.01 A 14 VAL HB H 1 2.147 0.01 A 14 VAL HGx% H 1 1.063 0.01 A 14 VAL HGy% H 1 0.982 0.01 A 14 VAL CA C 13 66.608 0.01 A 14 VAL CB C 13 32.094 0.01 A 14 VAL CGy C 13 21.317 0.01 A 14 VAL CGx C 13 21.029 0.01 A 15 ALA H H 1 7.538 0.01 A 15 ALA HA H 1 4.014 0.01 A 15 ALA HB% H 1 1.499 0.01 A 15 ALA CA C 13 54.676 0.01 A 15 ALA CB C 13 17.857 0.01 A 16 LEU H H 1 7.857 0.01 A 16 LEU HA H 1 4.159 0.01 A 16 LEU HBy H 1 1.937 0.01 A 16 LEU HBx H 1 1.747 0.01 A 16 LEU HDx% H 1 0.950 0.01 A 16 LEU HDy% H 1 0.920 0.01 A 16 LEU HG H 1 1.743 0.01 A 16 LEU CA C 13 58.556 0.01 A 16 LEU CB C 13 42.076 0.01 A 16 LEU CDy C 13 24.256 0.01 A 16 LEU CDx C 13 23.326 0.01 A 16 LEU CG C 13 27.305 0.01 A 17 VAL H H 1 8.136 0.01 A 17 VAL HA H 1 3.629 0.01 A 17 VAL HB H 1 2.383 0.01 A 17 VAL HGx% H 1 1.130 0.01 A 17 VAL HGy% H 1 0.969 0.01 A 17 VAL CA C 13 67.732 0.01 A 17 VAL CB C 13 32.060 0.01 A 17 VAL CGy C 13 22.322 0.01 A 17 VAL CGx C 13 20.806 0.01 A 18 VAL H H 1 8.535 0.01 A 18 VAL HA H 1 3.645 0.01 A 18 VAL HB H 1 2.234 0.01 A 18 VAL HGx% H 1 1.103 0.01 A 18 VAL HGy% H 1 0.978 0.01 A 18 VAL CA C 13 67.868 0.01 A 18 VAL CB C 13 32.143 0.01 A 18 VAL CGy C 13 22.475 0.01 A 18 VAL CGx C 13 20.768 0.01 A 19 MET H H 1 8.788 0.01 A 19 MET HA H 1 4.359 0.01 A 19 MET HBy H 1 2.347 0.01 A 19 MET HBx H 1 2.154 0.01 A 19 MET HE% H 1 2.032 0.01 A 19 MET HGy H 1 2.828 0.01 A 19 MET HGx H 1 2.635 0.01 A 19 MET CA C 13 59.102 0.01 A 19 MET CB C 13 32.616 0.01 A 19 MET CE C 13 16.244 0.01 A 19 MET CG C 13 32.723 0.01 A 20 SER H H 1 8.348 0.01 A 20 SER HA H 1 4.359 0.01 A 20 SER HBy H 1 4.165 0.01 A 20 SER HBx H 1 4.079 0.01 A 20 SER CA C 13 62.184 0.01 A 20 SER CB C 13 63.202 0.01 A 21 ARG H H 1 8.134 0.01 A 21 ARG HA H 1 4.277 0.01 A 21 ARG HBy H 1 2.021 0.01 A 21 ARG HBx H 1 1.957 0.01 A 21 ARG HD2 H 1 3.137 0.01 A 21 ARG HD3 H 1 3.137 0.01 A 21 ARG HE H 1 7.041 0.01 A 21 ARG HGy H 1 1.802 0.01 A 21 ARG HGx H 1 1.688 0.01 A 21 ARG CA C 13 58.972 0.01 A 21 ARG CB C 13 30.267 0.01 A 21 ARG CD C 13 43.492 0.01 A 21 ARG CG C 13 27.612 0.01 A 22 PHE H H 1 8.414 0.01 A 22 PHE HA H 1 4.560 0.01 A 22 PHE HB2 H 1 3.296 0.01 A 22 PHE HB3 H 1 3.296 0.01 A 22 PHE HD1 H 1 7.346 0.01 A 22 PHE HD2 H 1 7.346 0.01 A 22 PHE CA C 13 61.080 0.01 A 22 PHE CB C 13 39.364 0.01 A 23 GLY H H 1 8.452 0.01 A 23 GLY HAy H 1 4.035 0.01 A 23 GLY HAx H 1 3.901 0.01 A 23 GLY CA C 13 47.190 0.01 A 24 PHE H H 1 8.065 0.01 A 24 PHE HA H 1 4.341 0.01 A 24 PHE HBy H 1 3.199 0.01 A 24 PHE HBx H 1 3.110 0.01 A 24 PHE HD1 H 1 6.912 0.01 A 24 PHE HD2 H 1 6.912 0.01 A 24 PHE HE1 H 1 7.216 0.01 A 24 PHE HE2 H 1 7.216 0.01 A 24 PHE CA C 13 61.428 0.01 A 24 PHE CB C 13 39.448 0.01 A 25 PHE H H 1 8.097 0.01 A 25 PHE HA H 1 4.234 0.01 A 25 PHE HBy H 1 3.241 0.01 A 25 PHE HBx H 1 3.139 0.01 A 25 PHE HD1 H 1 7.341 0.01 A 25 PHE HD2 H 1 7.341 0.01 A 25 PHE CA C 13 61.230 0.01 A 25 PHE CB C 13 38.920 0.01 A 26 ALA H H 1 8.340 0.01 A 26 ALA HA H 1 4.018 0.01 A 26 ALA HB% H 1 1.303 0.01 A 26 ALA CA C 13 55.800 0.01 A 26 ALA CB C 13 17.992 0.01 A 27 HIS H H 1 7.743 0.01 A 27 HIS HA H 1 4.472 0.01 A 27 HIS HBy H 1 3.346 0.01 A 27 HIS HBx H 1 3.242 0.01 A 27 HIS HD2 H 1 7.346 0.01 A 27 HIS HE1 H 1 8.416 0.01 A 27 HIS CA C 13 57.355 0.01 A 27 HIS CB C 13 28.320 0.01 A 28 LEU H H 1 7.749 0.01 A 28 LEU HA H 1 4.285 0.01 A 28 LEU HBy H 1 1.683 0.01 A 28 LEU HBx H 1 1.577 0.01 A 28 LEU HDx% H 1 0.839 0.01 A 28 LEU HDy% H 1 0.790 0.01 A 28 LEU HG H 1 1.534 0.01 A 28 LEU CA C 13 55.890 0.01 A 28 LEU CB C 13 43.092 0.01 A 28 LEU CDy C 13 24.821 0.01 A 28 LEU CDx C 13 22.885 0.01 A 28 LEU CG C 13 27.016 0.01 A 29 LEU H H 1 7.406 0.01 A 29 LEU HA H 1 4.513 0.01 A 29 LEU HBy H 1 1.697 0.01 A 29 LEU HBx H 1 1.520 0.01 A 29 LEU HDx% H 1 0.939 0.01 A 29 LEU HDy% H 1 0.907 0.01 A 29 LEU HG H 1 1.759 0.01 A 29 LEU CA C 13 54.236 0.01 A 29 LEU CB C 13 41.844 0.01 A 29 LEU CDy C 13 24.970 0.01 A 29 LEU CDx C 13 22.819 0.01 A 29 LEU CG C 13 27.349 0.01 A 30 PRO HA H 1 4.447 0.01 A 30 PRO HBy H 1 2.296 0.01 A 30 PRO HBx H 1 1.942 0.01 A 30 PRO HDy H 1 3.842 0.01 A 30 PRO HDx H 1 3.584 0.01 A 30 PRO HGy H 1 2.082 0.01 A 30 PRO HGx H 1 2.040 0.01 A 30 PRO CA C 13 63.810 0.01 A 30 PRO CB C 13 31.840 0.01 A 30 PRO CD C 13 50.692 0.01 A 30 PRO CG C 13 27.571 0.01 A 31 ARG H H 1 7.969 0.01 A 31 ARG HA H 1 4.348 0.01 A 31 ARG HBy H 1 1.927 0.01 A 31 ARG HBx H 1 1.813 0.01 A 31 ARG HD2 H 1 3.232 0.01 A 31 ARG HD3 H 1 3.232 0.01 A 31 ARG HE H 1 7.203 0.01 A 31 ARG HG2 H 1 1.688 0.01 A 31 ARG HG3 H 1 1.688 0.01 A 31 ARG CA C 13 55.787 0.01 A 31 ARG CB C 13 31.380 0.01 A 31 ARG CD C 13 43.492 0.01 A 31 ARG CG C 13 27.357 0.01 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 1 ASP HA A 2 THR H 1.0 1.8 3.1 2 2 A 2 THR H A 3 GLU H 1.0 1.8 5.5 3 3 A 3 GLU H A 2 THR HA 1.0 1.8 3.1 4 4 A 3 GLU H A 2 THR HB 1.0 1.8 5.5 5 5 A 3 GLU H A 2 THR HG2% 1.0 1.8 6.5 6 6 A 3 GLU H A 4 ILE H 1.0 1.8 5.5 7 7 A 4 ILE H A 3 GLU HA 1.0 1.8 3.1 8 8 A 4 ILE H A 3 GLU HBx 1.0 1.8 5.5 9 9 A 2 THR HA A 4 ILE H 1.0 1.8 5.5 10 10 A 4 ILE H A 5 ILE H 1.0 1.8 4.3 11 11 A 5 ILE H A 4 ILE HB 1.0 1.8 4.3 12 12 A 5 ILE H A 6 GLY H 1.0 1.8 4.3 13 13 A 6 GLY H A 5 ILE HA 1.0 1.8 3.1 14 14 A 6 GLY H A 5 ILE HB 1.0 1.8 4.3 15 15 A 6 GLY H A 7 GLY H 1.0 1.8 4.3 16 16 A 7 GLY H A 6 GLY HAy 1.0 1.8 4.3 17 17 A 7 GLY H A 8 LEU H 1.0 1.8 3.1 18 18 A 8 LEU H A 7 GLY HA2 1.0 1.8 4.1 19 18 A 8 LEU H A 7 GLY HA3 1.0 1.8 4.1 20 19 A 8 LEU H A 9 THR H 1.0 1.8 3.1 21 20 A 9 THR H A 8 LEU HA 1.0 1.8 3.1 22 21 A 9 THR H A 8 LEU HB2 1.0 1.8 5.3 23 21 A 9 THR H A 8 LEU HB3 1.0 1.8 5.3 24 22 A 9 THR H A 7 GLY HA2 1.0 1.8 6.5 25 22 A 7 GLY HA3 A 9 THR H 1.0 1.8 6.5 26 23 A 9 THR H A 10 ILE H 1.0 1.8 4.3 27 24 A 10 ILE H A 9 THR HA 1.0 1.8 3.1 28 25 A 10 ILE H A 9 THR HB 1.0 1.8 4.3 29 26 A 8 LEU H A 10 ILE H 1.0 1.8 5.5 30 27 A 10 ILE H A 11 PRO HDx 1.0 1.8 5.5 31 28 A 11 PRO HDx A 10 ILE HA 1.0 1.8 3.1 32 29 A 10 ILE HA A 11 PRO HDy 1.0 1.8 3.1 33 30 A 11 PRO HDx A 10 ILE HB 1.0 1.8 4.3 34 31 A 11 PRO HDy A 10 ILE HB 1.0 1.8 4.3 35 32 A 11 PRO HBx A 12 PRO HDy 1.0 1.8 5.5 36 33 A 12 PRO HDy A 11 PRO HBy 1.0 1.8 5.5 37 34 A 12 PRO HA A 13 VAL H 1.0 1.8 4.3 38 35 A 13 VAL H A 12 PRO HBx 1.0 1.8 4.3 39 36 A 13 VAL H A 12 PRO HBy 1.0 1.8 5.5 40 37 A 12 PRO HDy A 13 VAL H 1.0 1.8 4.3 41 38 A 13 VAL H A 14 VAL H 1.0 1.8 3.1 42 39 A 14 VAL H A 13 VAL HA 1.0 1.8 4.3 43 40 A 12 PRO HA A 14 VAL H 1.0 1.8 5.5 44 41 A 14 VAL H A 15 ALA H 1.0 1.8 3.1 45 42 A 15 ALA H A 14 VAL HA 1.0 1.8 5.5 46 43 A 15 ALA H A 14 VAL HB 1.0 1.8 4.3 47 44 A 15 ALA H A 14 VAL HGx% 1.0 1.8 6.5 48 45 A 15 ALA H A 14 VAL HGy% 1.0 1.8 6.5 49 46 A 13 VAL H A 15 ALA H 1.0 1.8 5.5 50 47 A 13 VAL HA A 15 ALA H 1.0 1.8 5.5 51 48 A 12 PRO HA A 15 ALA H 1.0 1.8 4.3 52 49 A 12 PRO HA A 15 ALA HB% 1.0 1.8 4.1 53 50 A 15 ALA H A 16 LEU H 1.0 1.8 3.1 54 51 A 16 LEU H A 15 ALA HA 1.0 1.8 4.3 55 52 A 15 ALA HB% A 16 LEU H 1.0 1.8 4.1 56 53 A 14 VAL H A 16 LEU H 1.0 1.8 5.5 57 54 A 14 VAL HA A 16 LEU H 1.0 1.8 5.5 58 55 A 13 VAL HA A 16 LEU H 1.0 1.8 4.3 59 56 A 13 VAL HA A 16 LEU HBx 1.0 1.8 3.1 60 57 A 13 VAL HA A 16 LEU HBy 1.0 1.8 4.3 61 58 A 16 LEU H A 17 VAL H 1.0 1.8 3.1 62 59 A 17 VAL H A 16 LEU HA 1.0 1.8 4.3 63 60 A 16 LEU HBx A 17 VAL H 1.0 1.8 4.3 64 61 A 16 LEU HBy A 17 VAL H 1.0 1.8 4.3 65 62 A 15 ALA H A 17 VAL H 1.0 1.8 5.5 66 63 A 15 ALA HA A 17 VAL H 1.0 1.8 5.5 67 64 A 14 VAL HA A 17 VAL H 1.0 1.8 4.3 68 65 A 14 VAL HA A 17 VAL HB 1.0 1.8 3.1 69 66 A 13 VAL HA A 17 VAL H 1.0 1.8 5.5 70 67 A 17 VAL H A 18 VAL H 1.0 1.8 3.1 71 68 A 18 VAL H A 17 VAL HA 1.0 1.8 4.3 72 69 A 17 VAL HB A 18 VAL H 1.0 1.8 4.3 73 70 A 15 ALA HA A 18 VAL H 1.0 1.8 4.3 74 71 A 15 ALA HA A 18 VAL HB 1.0 1.8 3.1 75 72 A 18 VAL H A 19 MET H 1.0 1.8 3.1 76 73 A 19 MET H A 18 VAL HA 1.0 1.8 5.5 77 74 A 18 VAL HB A 19 MET H 1.0 1.8 3.1 78 75 A 19 MET H A 18 VAL HGx% 1.0 1.8 6.5 79 76 A 19 MET H A 18 VAL HGy% 1.0 1.8 6.5 80 77 A 17 VAL H A 19 MET H 1.0 1.8 5.5 81 78 A 16 LEU HA A 19 MET H 1.0 1.8 5.5 82 79 A 16 LEU HA A 19 MET HBx 1.0 1.8 4.3 83 80 A 16 LEU HA A 19 MET HBy 1.0 1.8 5.5 84 81 A 15 ALA HA A 19 MET H 1.0 1.8 5.5 85 82 A 19 MET H A 20 SER H 1.0 1.8 3.1 86 83 A 19 MET HBx A 20 SER H 1.0 1.8 4.3 87 84 A 19 MET HBy A 20 SER H 1.0 1.8 5.5 88 85 A 18 VAL H A 20 SER H 1.0 1.8 5.5 89 86 A 17 VAL HA A 20 SER H 1.0 1.8 4.3 90 87 A 17 VAL HA A 20 SER HBx 1.0 1.8 5.5 91 88 A 20 SER H A 21 ARG H 1.0 1.8 3.1 92 89 A 21 ARG H A 20 SER HA 1.0 1.8 5.5 93 90 A 20 SER HBx A 21 ARG H 1.0 1.8 4.3 94 91 A 21 ARG H A 20 SER HBy 1.0 1.8 5.5 95 92 A 18 VAL HA A 21 ARG HBx 1.0 1.8 4.3 96 93 A 18 VAL HA A 21 ARG HBy 1.0 1.8 4.3 97 94 A 18 VAL HGy% A 21 ARG HE 1.0 1.8 6.5 98 95 A 21 ARG H A 22 PHE H 1.0 1.8 3.1 99 96 A 22 PHE H A 21 ARG HA 1.0 1.8 4.3 100 97 A 21 ARG HBx A 22 PHE H 1.0 1.8 4.3 101 98 A 21 ARG HBy A 22 PHE H 1.0 1.8 4.3 102 99 A 22 PHE H A 19 MET HA 1.0 1.8 4.3 103 100 A 19 MET HA A 22 PHE HB2 1.0 1.8 5.3 104 100 A 19 MET HA A 22 PHE HB3 1.0 1.8 5.3 105 101 A 18 VAL HA A 22 PHE H 1.0 1.8 5.5 106 102 A 22 PHE HA A 23 GLY H 1.0 1.8 5.5 107 103 A 23 GLY H A 22 PHE HB2 1.0 1.8 5.3 108 103 A 22 PHE HB3 A 23 GLY H 1.0 1.8 5.3 109 104 A 20 SER HA A 23 GLY H 1.0 1.8 5.5 110 105 A 23 GLY H A 24 PHE H 1.0 1.8 3.1 111 106 A 24 PHE H A 23 GLY HAx 1.0 1.8 4.3 112 107 A 24 PHE H A 23 GLY HAy 1.0 1.8 4.3 113 108 A 21 ARG HA A 24 PHE H 1.0 1.8 4.3 114 109 A 21 ARG HA A 24 PHE HBx 1.0 1.8 4.3 115 110 A 21 ARG HA A 24 PHE HBy 1.0 1.8 4.3 116 111 A 24 PHE HA A 25 PHE H 1.0 1.8 4.3 117 112 A 24 PHE HBx A 25 PHE H 1.0 1.8 3.1 118 113 A 24 PHE HBy A 25 PHE H 1.0 1.8 3.1 119 114 A 23 GLY HAx A 25 PHE H 1.0 1.8 5.5 120 115 A 23 GLY HAy A 25 PHE H 1.0 1.8 5.5 121 116 A 22 PHE HA A 25 PHE H 1.0 1.8 5.5 122 117 A 22 PHE HA A 25 PHE HBx 1.0 1.8 4.3 123 118 A 22 PHE HA A 25 PHE HBy 1.0 1.8 4.3 124 119 A 24 PHE HD% A 25 PHE HA 1.0 1.8 8.9 125 120 A 25 PHE H A 26 ALA H 1.0 1.8 3.1 126 121 A 25 PHE HA A 26 ALA H 1.0 1.8 4.3 127 122 A 25 PHE HBx A 26 ALA H 1.0 1.8 4.3 128 123 A 25 PHE HBy A 26 ALA H 1.0 1.8 4.3 129 124 A 24 PHE H A 26 ALA H 1.0 1.8 5.5 130 125 A 23 GLY HAy A 26 ALA H 1.0 1.8 5.5 131 126 A 23 GLY HAy A 26 ALA HB% 1.0 1.8 5.3 132 127 A 23 GLY HAx A 26 ALA HB% 1.0 1.8 5.3 133 128 A 26 ALA HB% A 25 PHE HD% 1.0 1.8 7.7 134 129 A 26 ALA H A 27 HIS H 1.0 1.8 3.1 135 130 A 27 HIS H A 26 ALA HA 1.0 1.8 4.3 136 131 A 26 ALA HB% A 27 HIS H 1.0 1.8 4.1 137 132 A 25 PHE H A 27 HIS H 1.0 1.8 5.5 138 133 A 25 PHE HA A 27 HIS H 1.0 1.8 5.5 139 134 A 24 PHE HA A 27 HIS H 1.0 1.8 5.5 140 135 A 24 PHE HA A 27 HIS HBx 1.0 1.8 5.5 141 136 A 25 PHE HA A 28 LEU H 1.0 1.8 4.3 142 137 A 25 PHE HA A 28 LEU HBx 1.0 1.8 4.3 143 138 A 25 PHE HA A 28 LEU HBy 1.0 1.8 4.3 144 139 A 25 PHE HD% A 28 LEU HDx% 1.0 1.8 8.9 145 140 A 24 PHE HD% A 28 LEU HDx% 1.0 1.8 8.9 146 141 A 28 LEU HDx% A 24 PHE HE% 1.0 1.8 7.7 147 142 A 24 PHE HE% A 28 LEU HDy% 1.0 1.8 7.7 148 143 A 28 LEU H A 29 LEU H 1.0 1.8 3.1 149 144 A 29 LEU H A 28 LEU HA 1.0 1.8 4.3 150 145 A 28 LEU HBy A 29 LEU H 1.0 1.8 4.3 151 146 A 26 ALA HA A 29 LEU H 1.0 1.8 5.5 152 147 A 29 LEU H A 30 PRO HDx 1.0 1.8 5.5 153 148 A 29 LEU H A 30 PRO HDy 1.0 1.8 5.5 154 149 A 30 PRO HDx A 29 LEU HA 1.0 1.8 3.1 155 150 A 30 PRO HDy A 29 LEU HA 1.0 1.8 3.1 156 151 A 30 PRO HDx A 29 LEU HBx 1.0 1.8 5.5 157 152 A 30 PRO HDy A 29 LEU HBx 1.0 1.8 5.5 158 153 A 30 PRO HDx A 29 LEU HBy 1.0 1.8 5.5 159 154 A 30 PRO HDy A 29 LEU HBy 1.0 1.8 4.3 160 155 A 30 PRO HDy A 31 ARG H 1.0 1.8 5.5 161 156 A 31 ARG H A 30 PRO HA 1.0 1.8 3.1 162 157 A 31 ARG H A 30 PRO HBx 1.0 1.8 5.5 stop_ save_