data_nef_c16187_2kfq save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_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 TYR start . . 2 A 2 ALA middle . . 3 A 3 PHE middle . . 4 A 4 ALA middle . . 5 A 5 CYS middle . . 6 A 6 PRO middle . false 7 A 7 ALA middle . . 8 A 8 CYS middle . . 9 A 9 PRO middle . false 10 A 10 LYS middle . . 11 A 11 ARG middle . . 12 A 12 PHE middle . . 13 A 13 MET middle . . 14 A 14 ARG middle . . 15 A 15 SER middle . . 16 A 16 ASP middle . . 17 A 17 ALA middle . . 18 A 18 LEU middle . . 19 A 19 SER middle . . 20 A 20 LYS middle . . 21 A 21 HIS middle . . 22 A 22 ILE middle . . 23 A 23 LYS middle . . 24 A 24 THR middle . . 25 A 25 ALA middle . . 26 A 26 PHE middle . . 27 A 27 ILE middle . . 28 A 28 VAL middle . . 29 A 29 VAL middle . . 30 A 30 ALA middle . . 31 A 31 LEU middle . . 32 A 32 GLY end . false 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 TYR HA H 1 4.157 0.003 A 1 TYR HBx H 1 3.021 0.007 A 1 TYR HBy H 1 3.021 0.007 A 1 TYR HDx H 1 7.065 0.009 A 1 TYR HDy H 1 7.065 0.009 A 1 TYR HEx H 1 6.823 0.007 A 1 TYR HEy H 1 6.823 0.007 A 2 ALA H H 1 8.459 0.004 A 2 ALA HA H 1 4.342 0.006 A 2 ALA HB% H 1 1.279 0.006 A 3 PHE H H 1 8.094 0.006 A 3 PHE HA H 1 4.570 0.009 A 3 PHE HBx H 1 3.028 0.000 A 3 PHE HBy H 1 3.123 0.007 A 3 PHE HDx H 1 7.275 0.008 A 3 PHE HDy H 1 7.275 0.008 A 3 PHE HEx H 1 7.344 0.006 A 3 PHE HEy H 1 7.344 0.006 A 4 ALA H H 1 8.276 0.010 A 4 ALA HA H 1 4.310 0.013 A 4 ALA HB% H 1 1.323 0.004 A 5 CYS H H 1 8.362 0.011 A 5 CYS HA H 1 4.722 0.009 A 5 CYS HBx H 1 2.855 0.009 A 5 CYS HBy H 1 2.923 0.006 A 6 PRO HA H 1 4.412 0.004 A 6 PRO HBx H 1 2.016 0.003 A 6 PRO HBy H 1 2.301 0.010 A 6 PRO HDx H 1 3.766 0.014 A 6 PRO HDy H 1 3.791 0.009 A 6 PRO HGx H 1 1.906 0.006 A 6 PRO HGy H 1 1.906 0.006 A 7 ALA H H 1 8.376 0.009 A 7 ALA HA H 1 4.312 0.008 A 7 ALA HB% H 1 1.378 0.006 A 8 CYS H H 1 8.370 0.003 A 8 CYS HA H 1 4.762 0.010 A 8 CYS HBx H 1 2.890 0.001 A 8 CYS HBy H 1 2.917 0.004 A 9 PRO HA H 1 4.409 0.003 A 9 PRO HBx H 1 2.017 0.005 A 9 PRO HBy H 1 2.300 0.006 A 9 PRO HDx H 1 3.763 0.007 A 9 PRO HDy H 1 3.791 0.005 A 9 PRO HGx H 1 1.907 0.000 A 9 PRO HGy H 1 1.907 0.000 A 10 LYS H H 1 8.383 0.009 A 10 LYS HA H 1 4.220 0.004 A 10 LYS HBx H 1 1.743 0.008 A 10 LYS HBy H 1 1.743 0.008 A 10 LYS HDx H 1 1.695 0.000 A 10 LYS HDy H 1 1.695 0.000 A 10 LYS HEx H 1 2.999 0.000 A 10 LYS HEy H 1 2.999 0.000 A 10 LYS HGx H 1 1.455 0.004 A 10 LYS HGy H 1 1.455 0.004 A 11 ARG H H 1 8.266 0.010 A 11 ARG HA H 1 4.279 0.007 A 11 ARG HBx H 1 1.696 0.008 A 11 ARG HBy H 1 1.696 0.008 A 11 ARG HDx H 1 3.124 0.003 A 11 ARG HDy H 1 3.124 0.003 A 11 ARG HE H 1 7.159 0.006 A 11 ARG HGx H 1 1.455 0.002 A 11 ARG HGy H 1 1.455 0.002 A 12 PHE H H 1 8.300 0.010 A 12 PHE HA H 1 4.643 0.011 A 12 PHE HBx H 1 3.016 0.008 A 12 PHE HBy H 1 3.122 0.006 A 12 PHE HDx H 1 7.241 0.007 A 12 PHE HDy H 1 7.241 0.007 A 12 PHE HEx H 1 7.314 0.008 A 12 PHE HEy H 1 7.314 0.008 A 12 PHE HZ H 1 7.330 0.005 A 13 MET H H 1 8.232 0.007 A 13 MET HA H 1 4.457 0.007 A 13 MET HBx H 1 1.952 0.004 A 13 MET HBy H 1 2.033 0.006 A 13 MET HGx H 1 2.483 0.007 A 13 MET HGy H 1 2.538 0.007 A 14 ARG H H 1 8.394 0.004 A 14 ARG HA H 1 4.319 0.007 A 14 ARG HBx H 1 1.785 0.003 A 14 ARG HBy H 1 1.889 0.008 A 14 ARG HDx H 1 3.222 0.007 A 14 ARG HDy H 1 3.222 0.007 A 14 ARG HE H 1 7.297 0.004 A 14 ARG HGx H 1 1.675 0.008 A 14 ARG HGy H 1 1.675 0.008 A 15 SER H H 1 8.448 0.006 A 15 SER HA H 1 4.435 0.006 A 15 SER HBx H 1 3.854 0.008 A 15 SER HBy H 1 3.927 0.001 A 16 ASP H H 1 8.541 0.004 A 16 ASP HA H 1 4.704 0.006 A 16 ASP HBx H 1 2.850 0.010 A 16 ASP HBy H 1 2.850 0.010 A 17 ALA H H 1 8.239 0.003 A 17 ALA HA H 1 4.273 0.007 A 17 ALA HB% H 1 1.403 0.009 A 18 LEU H H 1 8.148 0.006 A 18 LEU HA H 1 4.351 0.003 A 18 LEU HBx H 1 1.671 0.012 A 18 LEU HBy H 1 1.671 0.012 A 18 LEU HDx% H 1 0.901 0.008 A 18 LEU HDy% H 1 0.947 0.004 A 18 LEU HG H 1 1.615 0.010 A 19 SER H H 1 8.137 0.002 A 19 SER HA H 1 4.383 0.005 A 19 SER HBx H 1 3.845 0.012 A 19 SER HBy H 1 3.889 0.014 A 20 LYS H H 1 8.226 0.004 A 20 LYS HA H 1 4.296 0.005 A 20 LYS HBx H 1 1.708 0.001 A 20 LYS HBy H 1 1.792 0.012 A 20 LYS HDx H 1 1.683 0.002 A 20 LYS HDy H 1 1.683 0.002 A 20 LYS HEx H 1 2.992 0.013 A 20 LYS HEy H 1 2.992 0.013 A 20 LYS HGx H 1 1.377 0.007 A 20 LYS HGy H 1 1.443 0.000 A 21 HIS H H 1 8.491 0.008 A 21 HIS HA H 1 4.714 0.008 A 21 HIS HBx H 1 3.155 0.004 A 21 HIS HBy H 1 3.249 0.010 A 21 HIS HD2 H 1 7.281 0.003 A 21 HIS HE1 H 1 8.622 0.004 A 22 ILE H H 1 8.215 0.005 A 22 ILE HA H 1 4.176 0.004 A 22 ILE HB H 1 1.844 0.004 A 22 ILE HD1% H 1 0.860 0.007 A 22 ILE HG1x H 1 1.174 0.001 A 22 ILE HG1y H 1 1.451 0.004 A 22 ILE HG2% H 1 0.906 0.005 A 23 LYS H H 1 8.548 0.005 A 23 LYS HA H 1 4.374 0.005 A 23 LYS HBx H 1 1.768 0.007 A 23 LYS HBy H 1 1.848 0.006 A 23 LYS HDx H 1 1.718 0.000 A 23 LYS HDy H 1 1.718 0.000 A 23 LYS HEx H 1 3.011 0.004 A 23 LYS HEy H 1 3.011 0.004 A 23 LYS HGx H 1 1.405 0.008 A 23 LYS HGy H 1 1.471 0.011 A 24 THR H H 1 8.152 0.003 A 24 THR HA H 1 4.286 0.006 A 24 THR HB H 1 4.151 0.007 A 24 THR HG2% H 1 1.173 0.007 A 25 ALA H H 1 8.315 0.006 A 25 ALA HA H 1 4.307 0.008 A 25 ALA HB% H 1 1.310 0.009 A 26 PHE H H 1 8.176 0.006 A 26 PHE HA H 1 4.639 0.009 A 26 PHE HBx H 1 3.013 0.005 A 26 PHE HBy H 1 3.102 0.008 A 26 PHE HDx H 1 7.234 0.007 A 26 PHE HDy H 1 7.234 0.007 A 26 PHE HEx H 1 7.348 0.004 A 26 PHE HEy H 1 7.348 0.004 A 26 PHE HZ H 1 7.326 0.002 A 27 ILE H H 1 8.063 0.007 A 27 ILE HA H 1 4.141 0.008 A 27 ILE HB H 1 1.759 0.005 A 27 ILE HG1x H 1 1.131 0.005 A 27 ILE HG1y H 1 1.446 0.002 A 27 ILE HG2% H 1 0.836 0.005 A 28 VAL H H 1 8.306 0.001 A 28 VAL HA H 1 4.061 0.003 A 28 VAL HB H 1 2.019 0.006 A 28 VAL HGx% H 1 0.918 0.007 A 28 VAL HGy% H 1 0.972 0.003 A 29 VAL H H 1 8.298 0.008 A 29 VAL HA H 1 4.084 0.003 A 29 VAL HB H 1 2.030 0.006 A 29 VAL HGx% H 1 0.932 0.008 A 29 VAL HGy% H 1 0.932 0.008 A 30 ALA H H 1 8.426 0.007 A 30 ALA HA H 1 4.359 0.000 A 30 ALA HB% H 1 1.379 0.008 A 31 LEU H H 1 8.336 0.009 A 31 LEU HA H 1 4.354 0.005 A 31 LEU HBx H 1 1.665 0.005 A 31 LEU HBy H 1 1.665 0.005 A 31 LEU HDx% H 1 0.880 0.000 A 31 LEU HDy% H 1 0.941 0.000 A 31 LEU HG H 1 1.625 0.004 A 32 GLY H H 1 8.288 0.015 A 32 GLY HAx H 1 3.918 0.009 A 32 GLY HAy H 1 3.918 0.009 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 TYR HA A 1 TYR HBx 1.0 . 4.30 2 1 A 1 TYR HA A 1 TYR HBy 1.0 . 4.30 3 2 A 1 TYR HA A 1 TYR HD% 1.0 . 6.62 4 3 A 1 TYR HA A 1 TYR HE% 1.0 . 7.63 5 4 A 1 TYR HA A 2 ALA H 1.0 . 3.36 6 5 A 1 TYR HA A 2 ALA HB% 1.0 . 6.53 7 6 A 1 TYR HA A 3 PHE H 1.0 . 5.10 8 7 A 1 TYR HA A 3 PHE HD% 1.0 . 7.62 9 8 A 1 TYR HD% A 1 TYR HBx 1.0 . 7.03 10 8 A 1 TYR HBy A 1 TYR HD% 1.0 . 7.03 11 9 A 1 TYR HE% A 1 TYR HBx 1.0 . 8.29 12 9 A 1 TYR HBy A 1 TYR HE% 1.0 . 8.29 13 10 A 2 ALA H A 1 TYR HBx 1.0 . 5.60 14 10 A 1 TYR HBy A 2 ALA H 1.0 . 5.60 15 11 A 2 ALA HB% A 1 TYR HBx 1.0 . 7.40 16 11 A 1 TYR HBy A 2 ALA HB% 1.0 . 7.40 17 12 A 1 TYR HD% A 2 ALA H 1.0 . 7.58 18 13 A 1 TYR HD% A 2 ALA HA 1.0 . 7.17 19 14 A 1 TYR HD% A 2 ALA HB% 1.0 . 8.67 20 15 A 1 TYR HD% A 3 PHE H 1.0 . 7.64 21 16 A 1 TYR HD% A 3 PHE HA 1.0 . 7.14 22 17 A 1 TYR HD% A 3 PHE HD% 1.0 . 9.76 23 18 A 1 TYR HD% A 3 PHE HE% 1.0 . 9.76 24 19 A 1 TYR HD% A 4 ALA HB% 1.0 . 8.67 25 20 A 1 TYR HD% A 5 CYS H 1.0 . 5.72 26 21 A 1 TYR HE% A 2 ALA H 1.0 . 7.63 27 22 A 1 TYR HE% A 2 ALA HA 1.0 . 7.23 28 23 A 1 TYR HE% A 2 ALA HB% 1.0 . 8.66 29 24 A 1 TYR HE% A 3 PHE HA 1.0 . 7.63 30 25 A 1 TYR HE% A 3 PHE HBy 1.0 . 7.63 31 26 A 1 TYR HE% A 4 ALA HB% 1.0 . 8.66 32 27 A 1 TYR HE% A 5 CYS H 1.0 . 5.83 33 28 A 2 ALA H A 2 ALA HB% 1.0 . 4.82 34 29 A 2 ALA H A 3 PHE H 1.0 . 3.33 35 30 A 2 ALA H A 3 PHE HA 1.0 . 5.28 36 31 A 2 ALA H A 3 PHE HBy 1.0 . 5.50 37 32 A 2 ALA HB% A 2 ALA HA 1.0 . 3.89 38 33 A 2 ALA HB% A 3 PHE H 1.0 . 6.53 39 34 A 2 ALA HB% A 3 PHE HA 1.0 . 5.54 40 35 A 2 ALA HB% A 3 PHE HBy 1.0 . 6.53 41 36 A 2 ALA HB% A 5 CYS HBy 1.0 . 6.53 42 37 A 3 PHE H A 3 PHE HA 1.0 . 3.86 43 38 A 3 PHE H A 3 PHE HBx 1.0 . 4.11 44 39 A 3 PHE H A 3 PHE HBy 1.0 . 5.50 45 40 A 3 PHE H A 3 PHE HD% 1.0 . 7.62 46 41 A 3 PHE H A 4 ALA H 1.0 . 3.92 47 42 A 3 PHE H A 6 PRO HGx 1.0 . 6.38 48 42 A 3 PHE H A 6 PRO HGy 1.0 . 6.38 49 43 A 3 PHE HA A 3 PHE HBy 1.0 . 4.85 50 44 A 3 PHE HD% A 3 PHE HA 1.0 . 7.62 51 45 A 3 PHE HA A 3 PHE HE% 1.0 . 7.62 52 46 A 3 PHE HA A 4 ALA HB% 1.0 . 5.23 53 47 A 3 PHE HA A 5 CYS H 1.0 . 5.50 54 48 A 3 PHE HE% A 3 PHE HBy 1.0 . 7.62 55 49 A 3 PHE HD% A 4 ALA H 1.0 . 7.62 56 50 A 3 PHE HD% A 5 CYS H 1.0 . 7.62 57 51 A 3 PHE HE% A 5 CYS H 1.0 . 7.62 58 52 A 3 PHE HE% A 6 PRO HDx 1.0 . 7.62 59 53 A 4 ALA HB% A 4 ALA H 1.0 . 6.53 60 54 A 4 ALA HA A 5 CYS HBx 1.0 . 5.41 61 55 A 4 ALA HB% A 5 CYS HBx 1.0 . 6.53 62 56 A 5 CYS H A 5 CYS HA 1.0 . 3.83 63 57 A 5 CYS HBy A 5 CYS HA 1.0 . 3.92 64 58 A 5 CYS HBx A 6 PRO HBy 1.0 . 5.22 65 59 A 6 PRO HBy A 6 PRO HA 1.0 . 2.65 66 60 A 6 PRO HBy A 6 PRO HBx 1.0 . 2.87 67 61 A 6 PRO HBy A 6 PRO HGx 1.0 . 3.74 68 61 A 6 PRO HGy A 6 PRO HBy 1.0 . 3.74 69 62 A 6 PRO HBy A 6 PRO HDy 1.0 . 5.13 70 63 A 6 PRO HBy A 7 ALA HB% 1.0 . 6.25 71 64 A 6 PRO HDx A 6 PRO HGx 1.0 . 5.01 72 64 A 6 PRO HGy A 6 PRO HDx 1.0 . 5.01 73 65 A 6 PRO HDy A 6 PRO HGx 1.0 . 5.57 74 65 A 6 PRO HGy A 6 PRO HDy 1.0 . 5.57 75 66 A 6 PRO HDx A 7 ALA HA 1.0 . 5.50 76 67 A 6 PRO HDx A 7 ALA HB% 1.0 . 6.53 77 68 A 7 ALA HB% A 7 ALA H 1.0 . 5.60 78 69 A 7 ALA HA A 8 CYS HBx 1.0 . 5.50 79 70 A 7 ALA HB% A 8 CYS H 1.0 . 3.99 80 71 A 8 CYS H A 8 CYS HA 1.0 . 3.45 81 72 A 8 CYS HBx A 8 CYS HA 1.0 . 3.18 82 73 A 8 CYS HA A 8 CYS HBy 1.0 . 2.93 83 74 A 8 CYS HA A 9 PRO HDx 1.0 . 3.58 84 75 A 8 CYS HA A 9 PRO HDy 1.0 . 3.73 85 76 A 8 CYS HBy A 9 PRO HGx 1.0 . 6.38 86 76 A 8 CYS HBy A 9 PRO HGy 1.0 . 6.38 87 77 A 9 PRO HDx A 9 PRO HA 1.0 . 5.50 88 78 A 9 PRO HBx A 11 ARG HE 1.0 . 5.41 89 79 A 9 PRO HBy A 10 LYS H 1.0 . 3.08 90 80 A 9 PRO HBy A 11 ARG H 1.0 . 5.03 91 81 A 9 PRO HDx A 12 PHE HBx 1.0 . 3.55 92 82 A 9 PRO HDx A 12 PHE HBy 1.0 . 3.61 93 83 A 9 PRO HDx A 12 PHE HD% 1.0 . 7.62 94 84 A 9 PRO HDx A 12 PHE HE% 1.0 . 5.42 95 85 A 10 LYS H A 10 LYS HA 1.0 . 5.50 96 86 A 10 LYS H A 10 LYS HBx 1.0 . 3.28 97 86 A 10 LYS H A 10 LYS HBy 1.0 . 3.28 98 87 A 10 LYS HA A 10 LYS HBx 1.0 . 4.36 99 87 A 10 LYS HA A 10 LYS HBy 1.0 . 4.36 100 88 A 10 LYS HA A 10 LYS HDx 1.0 . 6.38 101 88 A 10 LYS HA A 10 LYS HDy 1.0 . 6.38 102 89 A 11 ARG H A 10 LYS HA 1.0 . 5.50 103 90 A 10 LYS HA A 13 MET HGx 1.0 . 5.50 104 91 A 10 LYS HA A 13 MET HGy 1.0 . 5.50 105 92 A 11 ARG H A 11 ARG HBx 1.0 . 4.08 106 92 A 11 ARG H A 11 ARG HBy 1.0 . 4.08 107 93 A 11 ARG H A 11 ARG HGx 1.0 . 6.35 108 93 A 11 ARG H A 11 ARG HGy 1.0 . 6.35 109 94 A 11 ARG HA A 11 ARG HBx 1.0 . 3.28 110 94 A 11 ARG HBy A 11 ARG HA 1.0 . 3.28 111 95 A 11 ARG HBx A 11 ARG HDx 1.0 . 5.49 112 95 A 11 ARG HBy A 11 ARG HDx 1.0 . 5.49 113 95 A 11 ARG HDy A 11 ARG HBx 1.0 . 5.49 114 95 A 11 ARG HBy A 11 ARG HDy 1.0 . 5.49 115 96 A 11 ARG HE A 11 ARG HBx 1.0 . 5.66 116 96 A 11 ARG HE A 11 ARG HBy 1.0 . 5.66 117 97 A 12 PHE H A 11 ARG HBx 1.0 . 3.28 118 97 A 11 ARG HBy A 12 PHE H 1.0 . 3.28 119 98 A 12 PHE HD% A 11 ARG HBx 1.0 . 7.91 120 98 A 12 PHE HD% A 11 ARG HBy 1.0 . 7.91 121 99 A 11 ARG HDx A 11 ARG HGx 1.0 . 5.30 122 99 A 11 ARG HDy A 11 ARG HGx 1.0 . 5.30 123 99 A 11 ARG HGy A 11 ARG HDx 1.0 . 5.30 124 99 A 11 ARG HGy A 11 ARG HDy 1.0 . 5.30 125 100 A 11 ARG HE A 11 ARG HGx 1.0 . 6.38 126 100 A 11 ARG HE A 11 ARG HGy 1.0 . 6.38 127 101 A 12 PHE H A 11 ARG HGx 1.0 . 5.23 128 101 A 11 ARG HGy A 12 PHE H 1.0 . 5.23 129 102 A 11 ARG HE A 11 ARG HDx 1.0 . 5.57 130 102 A 11 ARG HE A 11 ARG HDy 1.0 . 5.57 131 103 A 11 ARG HE A 12 PHE HBx 1.0 . 4.14 132 104 A 12 PHE HBx A 12 PHE H 1.0 . 3.73 133 105 A 12 PHE HBy A 12 PHE H 1.0 . 5.50 134 106 A 12 PHE HD% A 12 PHE H 1.0 . 5.92 135 107 A 12 PHE HBy A 12 PHE HA 1.0 . 3.36 136 108 A 12 PHE HE% A 12 PHE HA 1.0 . 7.62 137 109 A 13 MET HGx A 12 PHE HA 1.0 . 5.41 138 110 A 13 MET HGy A 12 PHE HA 1.0 . 4.82 139 111 A 12 PHE HA A 14 ARG H 1.0 . 3.76 140 112 A 12 PHE HA A 15 SER HBx 1.0 . 5.10 141 113 A 12 PHE HA A 16 ASP H 1.0 . 5.16 142 114 A 12 PHE HBy A 12 PHE HD% 1.0 . 5.79 143 115 A 12 PHE HBy A 12 PHE HE% 1.0 . 4.52 144 116 A 12 PHE HBy A 13 MET H 1.0 . 2.43 145 117 A 12 PHE HBy A 13 MET HBy 1.0 . 5.16 146 118 A 12 PHE HD% A 13 MET HA 1.0 . 5.70 147 119 A 12 PHE HD% A 15 SER H 1.0 . 7.62 148 120 A 12 PHE HD% A 15 SER HBx 1.0 . 4.96 149 121 A 12 PHE HD% A 15 SER HBy 1.0 . 7.62 150 122 A 12 PHE HD% A 16 ASP HBx 1.0 . 8.50 151 122 A 12 PHE HD% A 16 ASP HBy 1.0 . 8.50 152 123 A 12 PHE HE% A 13 MET H 1.0 . 7.62 153 124 A 13 MET H A 13 MET HA 1.0 . 5.50 154 125 A 13 MET H A 13 MET HBx 1.0 . 4.97 155 126 A 13 MET HGy A 13 MET H 1.0 . 5.50 156 127 A 14 ARG H A 13 MET H 1.0 . 3.08 157 128 A 13 MET H A 14 ARG HDx 1.0 . 6.38 158 128 A 13 MET H A 14 ARG HDy 1.0 . 6.38 159 129 A 13 MET HA A 13 MET HBx 1.0 . 5.50 160 130 A 13 MET HBy A 13 MET HA 1.0 . 3.58 161 131 A 13 MET HGx A 13 MET HA 1.0 . 4.04 162 132 A 13 MET HGy A 13 MET HA 1.0 . 4.48 163 133 A 13 MET HGx A 13 MET HBx 1.0 . 5.28 164 134 A 13 MET HGy A 13 MET HBx 1.0 . 3.95 165 135 A 13 MET HGx A 13 MET HBy 1.0 . 4.45 166 136 A 13 MET HGy A 13 MET HBy 1.0 . 3.49 167 137 A 13 MET HGy A 14 ARG H 1.0 . 5.50 168 138 A 13 MET HGy A 15 SER H 1.0 . 5.50 169 139 A 14 ARG H A 14 ARG HBy 1.0 . 3.70 170 140 A 14 ARG H A 14 ARG HDx 1.0 . 5.97 171 140 A 14 ARG H A 14 ARG HDy 1.0 . 5.97 172 141 A 14 ARG HBy A 14 ARG HA 1.0 . 2.40 173 142 A 14 ARG HA A 14 ARG HDx 1.0 . 6.38 174 142 A 14 ARG HDy A 14 ARG HA 1.0 . 6.38 175 143 A 15 SER H A 14 ARG HA 1.0 . 3.98 176 144 A 14 ARG HBx A 14 ARG HDx 1.0 . 5.42 177 144 A 14 ARG HDy A 14 ARG HBx 1.0 . 5.42 178 145 A 15 SER H A 14 ARG HBx 1.0 . 2.40 179 146 A 14 ARG HBy A 14 ARG HDx 1.0 . 5.54 180 146 A 14 ARG HDy A 14 ARG HBy 1.0 . 5.54 181 147 A 14 ARG HBy A 14 ARG HE 1.0 . 5.50 182 148 A 15 SER H A 14 ARG HBy 1.0 . 5.50 183 149 A 14 ARG HDx A 14 ARG HGx 1.0 . 5.61 184 149 A 14 ARG HDy A 14 ARG HGx 1.0 . 5.61 185 149 A 14 ARG HGy A 14 ARG HDx 1.0 . 5.61 186 149 A 14 ARG HDy A 14 ARG HGy 1.0 . 5.61 187 150 A 14 ARG HE A 14 ARG HGx 1.0 . 4.14 188 150 A 14 ARG HE A 14 ARG HGy 1.0 . 4.14 189 151 A 15 SER H A 14 ARG HGx 1.0 . 6.07 190 151 A 15 SER H A 14 ARG HGy 1.0 . 6.07 191 152 A 14 ARG HE A 14 ARG HDx 1.0 . 5.07 192 152 A 14 ARG HDy A 14 ARG HE 1.0 . 5.07 193 153 A 15 SER H A 14 ARG HDx 1.0 . 6.38 194 153 A 15 SER H A 14 ARG HDy 1.0 . 6.38 195 154 A 15 SER HA A 14 ARG HDx 1.0 . 6.38 196 154 A 14 ARG HDy A 15 SER HA 1.0 . 6.38 197 155 A 17 ALA HB% A 14 ARG HDx 1.0 . 7.40 198 155 A 14 ARG HDy A 17 ALA HB% 1.0 . 7.40 199 156 A 15 SER H A 15 SER HA 1.0 . 3.24 200 157 A 15 SER HBx A 15 SER H 1.0 . 3.98 201 158 A 15 SER H A 15 SER HBy 1.0 . 5.47 202 159 A 16 ASP H A 15 SER H 1.0 . 3.08 203 160 A 15 SER HBy A 15 SER HA 1.0 . 3.92 204 161 A 15 SER HA A 16 ASP HBx 1.0 . 6.38 205 161 A 16 ASP HBy A 15 SER HA 1.0 . 6.38 206 162 A 15 SER HBx A 16 ASP H 1.0 . 5.50 207 163 A 16 ASP H A 15 SER HBy 1.0 . 4.17 208 164 A 15 SER HBy A 16 ASP HA 1.0 . 5.50 209 165 A 16 ASP H A 16 ASP HA 1.0 . 3.49 210 166 A 16 ASP H A 16 ASP HBx 1.0 . 4.33 211 166 A 16 ASP H A 16 ASP HBy 1.0 . 4.33 212 167 A 16 ASP H A 17 ALA H 1.0 . 3.39 213 168 A 16 ASP HA A 18 LEU H 1.0 . 3.98 214 169 A 16 ASP HA A 19 SER HBx 1.0 . 2.43 215 170 A 16 ASP HA A 19 SER HBy 1.0 . 3.80 216 171 A 16 ASP HA A 20 LYS HGx 1.0 . 5.50 217 172 A 17 ALA H A 16 ASP HBx 1.0 . 3.28 218 172 A 16 ASP HBy A 17 ALA H 1.0 . 3.28 219 173 A 17 ALA HB% A 16 ASP HBx 1.0 . 5.11 220 173 A 16 ASP HBy A 17 ALA HB% 1.0 . 5.11 221 174 A 18 LEU H A 16 ASP HBx 1.0 . 6.38 222 174 A 16 ASP HBy A 18 LEU H 1.0 . 6.38 223 175 A 17 ALA HB% A 17 ALA H 1.0 . 3.61 224 176 A 17 ALA HB% A 17 ALA HA 1.0 . 3.43 225 177 A 18 LEU H A 17 ALA HA 1.0 . 2.93 226 178 A 17 ALA HA A 21 HIS HE1 1.0 . 5.50 227 179 A 17 ALA HB% A 18 LEU H 1.0 . 4.48 228 180 A 17 ALA HB% A 21 HIS HE1 1.0 . 5.75 229 181 A 18 LEU H A 18 LEU HBx 1.0 . 6.38 230 181 A 18 LEU H A 18 LEU HBy 1.0 . 6.38 231 182 A 18 LEU H A 18 LEU HG 1.0 . 5.50 232 183 A 18 LEU H A 18 LEU HDx% 1.0 . 3.61 233 184 A 18 LEU H A 18 LEU HDy% 1.0 . 6.37 234 185 A 21 HIS HE1 A 18 LEU HBx 1.0 . 4.24 235 185 A 21 HIS HE1 A 18 LEU HBy 1.0 . 4.24 236 186 A 19 SER HBx A 18 LEU HDx% 1.0 . 3.61 237 187 A 19 SER HBy A 18 LEU HDx% 1.0 . 6.53 238 188 A 19 SER HBy A 18 LEU HDy% 1.0 . 6.53 239 189 A 19 SER HBx A 19 SER H 1.0 . 5.50 240 190 A 19 SER HA A 20 LYS H 1.0 . 3.80 241 191 A 19 SER HA A 22 ILE HG1y 1.0 . 5.50 242 192 A 19 SER HA A 22 ILE HD1% 1.0 . 6.53 243 193 A 19 SER HBx A 22 ILE HD1% 1.0 . 6.53 244 194 A 19 SER HBx A 23 LYS HGx 1.0 . 5.50 245 195 A 19 SER HBy A 21 HIS H 1.0 . 5.50 246 196 A 19 SER HBy A 23 LYS HBx 1.0 . 4.11 247 197 A 19 SER HBy A 23 LYS HGx 1.0 . 5.50 248 198 A 20 LYS H A 20 LYS HA 1.0 . 5.50 249 199 A 20 LYS H A 20 LYS HBx 1.0 . 4.51 250 200 A 20 LYS HGx A 20 LYS H 1.0 . 4.17 251 201 A 20 LYS H A 20 LYS HGy 1.0 . 5.50 252 202 A 20 LYS H A 20 LYS HDx 1.0 . 3.28 253 202 A 20 LYS H A 20 LYS HDy 1.0 . 3.28 254 203 A 20 LYS HA A 20 LYS HEx 1.0 . 4.61 255 203 A 20 LYS HA A 20 LYS HEy 1.0 . 4.61 256 204 A 20 LYS HA A 23 LYS H 1.0 . 5.50 257 205 A 21 HIS H A 20 LYS HBy 1.0 . 5.50 258 206 A 20 LYS HGx A 20 LYS HEx 1.0 . 3.62 259 206 A 20 LYS HGx A 20 LYS HEy 1.0 . 3.62 260 207 A 20 LYS HDx A 20 LYS HEx 1.0 . 4.99 261 207 A 20 LYS HDy A 20 LYS HEx 1.0 . 4.99 262 207 A 20 LYS HEy A 20 LYS HDx 1.0 . 4.99 263 207 A 20 LYS HDy A 20 LYS HEy 1.0 . 4.99 264 208 A 21 HIS H A 21 HIS HA 1.0 . 3.58 265 209 A 21 HIS H A 21 HIS HBy 1.0 . 3.58 266 210 A 21 HIS H A 21 HIS HD2 1.0 . 5.50 267 211 A 21 HIS H A 22 ILE H 1.0 . 3.11 268 212 A 22 ILE HD1% A 21 HIS H 1.0 . 6.53 269 213 A 21 HIS HA A 21 HIS HBx 1.0 . 2.80 270 214 A 21 HIS HA A 21 HIS HBy 1.0 . 3.18 271 215 A 21 HIS HA A 22 ILE HG2% 1.0 . 6.53 272 216 A 21 HIS HA A 24 THR HG2% 1.0 . 6.53 273 217 A 21 HIS HBx A 24 THR HG2% 1.0 . 6.53 274 218 A 21 HIS HBy A 22 ILE H 1.0 . 4.72 275 219 A 21 HIS HBy A 22 ILE HG2% 1.0 . 6.53 276 220 A 21 HIS HE1 A 21 HIS HD2 1.0 . 5.50 277 221 A 21 HIS HD2 A 22 ILE HG2% 1.0 . 6.53 278 222 A 21 HIS HD2 A 25 ALA HA 1.0 . 5.50 279 223 A 22 ILE H A 22 ILE HA 1.0 . 5.50 280 224 A 22 ILE H A 22 ILE HG1x 1.0 . 4.54 281 225 A 22 ILE HA A 22 ILE HB 1.0 . 3.55 282 226 A 22 ILE HG2% A 22 ILE HA 1.0 . 4.64 283 227 A 22 ILE HG2% A 22 ILE HB 1.0 . 4.51 284 228 A 22 ILE HG1x A 22 ILE HB 1.0 . 4.88 285 229 A 22 ILE HD1% A 22 ILE HB 1.0 . 5.04 286 230 A 22 ILE HG1y A 22 ILE HG2% 1.0 . 4.57 287 231 A 23 LYS H A 22 ILE HG2% 1.0 . 5.57 288 232 A 22 ILE HG1y A 22 ILE HG1x 1.0 . 2.77 289 233 A 23 LYS H A 22 ILE HG1x 1.0 . 5.50 290 234 A 22 ILE HG1y A 22 ILE HD1% 1.0 . 4.54 291 235 A 23 LYS H A 23 LYS HA 1.0 . 3.95 292 236 A 23 LYS HBx A 23 LYS H 1.0 . 2.40 293 237 A 23 LYS HGx A 23 LYS H 1.0 . 5.50 294 238 A 23 LYS H A 23 LYS HGy 1.0 . 5.50 295 239 A 23 LYS H A 23 LYS HDx 1.0 . 6.38 296 239 A 23 LYS H A 23 LYS HDy 1.0 . 6.38 297 240 A 23 LYS H A 23 LYS HEx 1.0 . 6.38 298 240 A 23 LYS H A 23 LYS HEy 1.0 . 6.38 299 241 A 23 LYS H A 24 THR H 1.0 . 3.73 300 242 A 23 LYS HBx A 23 LYS HA 1.0 . 5.50 301 243 A 23 LYS HA A 23 LYS HGy 1.0 . 5.50 302 244 A 23 LYS HA A 23 LYS HEx 1.0 . 5.82 303 244 A 23 LYS HA A 23 LYS HEy 1.0 . 5.82 304 245 A 23 LYS HA A 24 THR H 1.0 . 3.14 305 246 A 24 THR HG2% A 23 LYS HA 1.0 . 5.75 306 247 A 23 LYS HBx A 24 THR H 1.0 . 5.50 307 248 A 23 LYS HBx A 24 THR HG2% 1.0 . 5.10 308 249 A 24 THR H A 23 LYS HBy 1.0 . 5.50 309 250 A 24 THR H A 24 THR HB 1.0 . 5.50 310 251 A 24 THR HG2% A 24 THR H 1.0 . 5.85 311 252 A 24 THR H A 25 ALA H 1.0 . 3.67 312 253 A 24 THR HB A 24 THR HA 1.0 . 3.33 313 254 A 24 THR HG2% A 24 THR HA 1.0 . 6.43 314 255 A 24 THR HG2% A 24 THR HB 1.0 . 4.36 315 256 A 24 THR HB A 26 PHE HD% 1.0 . 7.62 316 257 A 24 THR HB A 26 PHE HE% 1.0 . 7.62 317 258 A 24 THR HB A 26 PHE HZ 1.0 . 4.11 318 259 A 24 THR HG2% A 25 ALA H 1.0 . 5.26 319 260 A 24 THR HG2% A 26 PHE HA 1.0 . 6.53 320 261 A 24 THR HG2% A 26 PHE HBx 1.0 . 6.53 321 262 A 24 THR HG2% A 26 PHE HD% 1.0 . 8.65 322 263 A 24 THR HG2% A 26 PHE HE% 1.0 . 8.09 323 264 A 24 THR HG2% A 28 VAL HB 1.0 . 6.53 324 265 A 25 ALA H A 25 ALA HB% 1.0 . 3.43 325 266 A 25 ALA H A 26 PHE H 1.0 . 3.67 326 267 A 25 ALA HA A 26 PHE H 1.0 . 3.42 327 268 A 25 ALA HA A 26 PHE HA 1.0 . 4.54 328 269 A 25 ALA HA A 26 PHE HD% 1.0 . 7.62 329 270 A 25 ALA HA A 26 PHE HE% 1.0 . 7.28 330 271 A 25 ALA HB% A 26 PHE H 1.0 . 6.40 331 272 A 26 PHE HA A 25 ALA HB% 1.0 . 5.44 332 273 A 26 PHE HBx A 25 ALA HB% 1.0 . 6.53 333 274 A 25 ALA HB% A 26 PHE HBy 1.0 . 4.98 334 275 A 26 PHE HD% A 25 ALA HB% 1.0 . 7.29 335 276 A 26 PHE HE% A 25 ALA HB% 1.0 . 8.65 336 277 A 26 PHE HA A 26 PHE H 1.0 . 3.39 337 278 A 26 PHE H A 26 PHE HBy 1.0 . 3.86 338 279 A 26 PHE HD% A 26 PHE H 1.0 . 4.96 339 280 A 26 PHE HE% A 26 PHE H 1.0 . 7.62 340 281 A 26 PHE HA A 26 PHE HBy 1.0 . 3.55 341 282 A 26 PHE HD% A 26 PHE HA 1.0 . 6.51 342 283 A 26 PHE HE% A 26 PHE HA 1.0 . 7.62 343 284 A 26 PHE HA A 27 ILE H 1.0 . 2.99 344 285 A 26 PHE HA A 30 ALA HB% 1.0 . 5.47 345 286 A 26 PHE HE% A 26 PHE HBx 1.0 . 7.62 346 287 A 26 PHE HBx A 27 ILE H 1.0 . 3.24 347 288 A 26 PHE HBx A 27 ILE HG2% 1.0 . 5.41 348 289 A 26 PHE HBx A 28 VAL HGy% 1.0 . 6.53 349 290 A 26 PHE HD% A 26 PHE HBy 1.0 . 5.14 350 291 A 28 VAL HB A 26 PHE HBy 1.0 . 5.31 351 292 A 26 PHE HBy A 28 VAL HGy% 1.0 . 6.53 352 293 A 26 PHE HD% A 27 ILE H 1.0 . 7.62 353 294 A 26 PHE HD% A 27 ILE HB 1.0 . 7.62 354 295 A 26 PHE HD% A 27 ILE HG2% 1.0 . 8.65 355 296 A 26 PHE HD% A 28 VAL HA 1.0 . 7.62 356 297 A 26 PHE HD% A 28 VAL HB 1.0 . 6.20 357 298 A 26 PHE HD% A 30 ALA HB% 1.0 . 8.65 358 299 A 26 PHE HE% A 27 ILE H 1.0 . 7.62 359 300 A 26 PHE HE% A 27 ILE HB 1.0 . 7.62 360 301 A 26 PHE HE% A 27 ILE HG2% 1.0 . 7.69 361 302 A 26 PHE HE% A 27 ILE HG1y 1.0 . 6.69 362 303 A 26 PHE HE% A 28 VAL HGx% 1.0 . 8.37 363 304 A 26 PHE HE% A 29 VAL H 1.0 . 7.62 364 305 A 26 PHE HE% A 29 VAL HB 1.0 . 7.09 365 306 A 26 PHE HE% A 30 ALA HB% 1.0 . 8.65 366 307 A 26 PHE HZ A 28 VAL HB 1.0 . 3.08 367 308 A 27 ILE H A 27 ILE HA 1.0 . 5.50 368 309 A 27 ILE H A 27 ILE HG2% 1.0 . 6.53 369 310 A 27 ILE H A 27 ILE HG1x 1.0 . 4.72 370 311 A 27 ILE H A 27 ILE HG1y 1.0 . 5.13 371 312 A 27 ILE H A 28 VAL H 1.0 . 3.89 372 313 A 27 ILE H A 28 VAL HA 1.0 . 5.28 373 314 A 28 VAL HB A 27 ILE H 1.0 . 4.72 374 315 A 27 ILE HB A 27 ILE HA 1.0 . 3.98 375 316 A 27 ILE HG2% A 27 ILE HA 1.0 . 4.42 376 317 A 27 ILE HA A 27 ILE HG1x 1.0 . 5.50 377 318 A 27 ILE HA A 28 VAL H 1.0 . 2.52 378 319 A 28 VAL HGy% A 27 ILE HA 1.0 . 6.53 379 320 A 27 ILE HG2% A 27 ILE HB 1.0 . 4.26 380 321 A 27 ILE HB A 27 ILE HG1x 1.0 . 4.29 381 322 A 27 ILE HG2% A 27 ILE HG1y 1.0 . 4.20 382 323 A 27 ILE HG1y A 27 ILE HG1x 1.0 . 2.99 383 324 A 28 VAL HB A 28 VAL HA 1.0 . 5.50 384 325 A 28 VAL HA A 28 VAL HGx% 1.0 . 5.32 385 326 A 28 VAL HGy% A 28 VAL HA 1.0 . 5.19 386 327 A 29 VAL H A 30 ALA H 1.0 . 3.24 387 328 A 29 VAL HB A 29 VAL HA 1.0 . 4.54 388 329 A 29 VAL HA A 29 VAL HGx% 1.0 . 6.04 389 329 A 29 VAL HA A 29 VAL HGy% 1.0 . 6.04 390 330 A 30 ALA HB% A 29 VAL HA 1.0 . 6.53 391 331 A 29 VAL HB A 30 ALA H 1.0 . 3.95 392 332 A 30 ALA H A 29 VAL HGx% 1.0 . 7.53 393 332 A 30 ALA H A 29 VAL HGy% 1.0 . 7.53 394 333 A 30 ALA HB% A 30 ALA H 1.0 . 3.43 395 334 A 30 ALA HA A 31 LEU H 1.0 . 3.52 396 335 A 30 ALA HB% A 31 LEU H 1.0 . 6.28 397 336 A 30 ALA HB% A 32 GLY HAx 1.0 . 7.40 398 336 A 30 ALA HB% A 32 GLY HAy 1.0 . 7.40 399 337 A 31 LEU H A 31 LEU HBx 1.0 . 5.48 400 337 A 31 LEU H A 31 LEU HBy 1.0 . 5.48 401 338 A 31 LEU H A 31 LEU HG 1.0 . 5.50 402 339 A 31 LEU H A 31 LEU HDx% 1.0 . 6.53 403 340 A 31 LEU H A 31 LEU HDy% 1.0 . 3.43 404 341 A 31 LEU HA A 32 GLY H 1.0 . 5.50 405 342 A 31 LEU HBx A 32 GLY HAx 1.0 . 5.18 406 342 A 31 LEU HBy A 32 GLY HAx 1.0 . 5.18 407 342 A 32 GLY HAy A 31 LEU HBx 1.0 . 5.18 408 342 A 32 GLY HAy A 31 LEU HBy 1.0 . 5.18 409 343 A 31 LEU HG A 32 GLY HAx 1.0 . 6.38 410 343 A 32 GLY HAy A 31 LEU HG 1.0 . 6.38 411 344 A 32 GLY H A 32 GLY HAx 1.0 . 3.34 412 344 A 32 GLY HAy A 32 GLY H 1.0 . 3.34 stop_ save_