data_nef_c34309_6hh0 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 6HH0 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 LYS start . . 2 A 2 LYS middle . . 3 A 3 SER middle . . 4 A 4 HIS middle . . 5 A 5 THR middle . . 6 A 6 ALA middle . . 7 A 7 SER middle . . 8 A 8 TYR middle . . 9 A 9 LEU middle . . 10 A 10 ARG middle . . 11 A 11 LEU middle . . 12 A 12 TRP middle . . 13 A 13 ALA middle . . 14 A 14 LEU middle . . 15 A 15 SER middle . . 16 A 16 LEU middle . . 17 A 17 ALA middle . . 18 A 18 HIS middle . . 19 A 19 ALA middle . . 20 A 20 GLN middle . . 21 A 21 LEU middle . . 22 A 22 SER middle . . 23 A 23 SER middle . . 24 A 24 LYS middle . . 25 A 25 LYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 LYS HA H 1 3.9793 0.0000 A 1 LYS HBx H 1 1.8090 0.0000 A 1 LYS HBy H 1 1.8910 0.0000 A 1 LYS HEx H 1 2.9959 0.0000 A 1 LYS HGx H 1 1.5630 0.0000 A 2 LYS H H 1 8.1961 0.0000 A 2 LYS HA H 1 4.2590 0.0000 A 2 LYS HBx H 1 1.7160 0.0000 A 2 LYS HBy H 1 1.8780 0.0000 A 2 LYS HEx H 1 2.9039 0.0000 A 2 LYS HGx H 1 1.3676 0.0000 A 2 LYS HZ1 H 1 7.9180 0.0000 A 2 LYS HZ2 H 1 7.9180 0.0000 A 2 LYS HZ3 H 1 7.9180 0.0000 A 3 SER H H 1 8.4755 0.0000 A 3 SER HA H 1 4.3434 0.0000 A 3 SER HBx H 1 3.7776 0.0000 A 4 HIS H H 1 8.8208 0.0000 A 4 HIS HA H 1 4.6534 0.0000 A 4 HIS HBx H 1 3.1623 0.0000 A 4 HIS HBy H 1 3.2640 0.0000 A 4 HIS HD2 H 1 7.1715 0.0000 A 4 HIS HE1 H 1 8.4620 0.0000 A 5 THR H H 1 8.2186 0.0000 A 5 THR HA H 1 4.0196 0.0000 A 5 THR HB H 1 4.0963 0.0000 A 5 THR HG1 H 1 1.2190 0.0000 A 5 THR HG2% H 1 1.1394 0.0000 A 6 ALA H H 1 8.7756 0.0000 A 6 ALA HA H 1 4.0251 0.0000 A 6 ALA HB% H 1 1.3929 0.0000 A 7 SER H H 1 8.1539 0.0000 A 7 SER HA H 1 4.1734 0.0000 A 7 SER HBx H 1 4.9602 0.0000 A 8 TYR H H 1 8.1234 0.0000 A 8 TYR HA H 1 4.1916 0.0000 A 8 TYR HBx H 1 2.9750 0.0000 A 8 TYR HBy H 1 3.0970 0.0000 A 8 TYR HDy H 1 7.0530 0.0000 A 8 TYR HDx H 1 6.9734 0.0000 A 8 TYR HEx H 1 6.6795 0.0000 A 9 LEU H H 1 8.0694 0.0000 A 9 LEU HA H 1 4.0852 0.0000 A 9 LEU HBx H 1 1.7665 0.0000 A 9 LEU HDx% H 1 0.9450 0.0000 A 9 LEU HDy% H 1 0.8805 0.0000 A 9 LEU HG H 1 1.4966 0.0000 A 10 ARG H H 1 8.0288 0.0000 A 10 ARG HA H 1 3.8473 0.0000 A 10 ARG HBx H 1 1.8760 0.0000 A 10 ARG HBy H 1 2.0180 0.0000 A 10 ARG HDx H 1 3.1794 0.0000 A 10 ARG HE H 1 7.5575 0.0000 A 10 ARG HGx H 1 1.5388 0.0000 A 10 ARG HH11 H 1 7.0244 0.0000 A 10 ARG CA C 13 55.5081 0.0000 A 10 ARG CB C 13 33.6787 0.0000 A 10 ARG CD C 13 42.7307 0.0000 A 10 ARG CG C 13 31.5635 0.0000 A 10 ARG N N 15 119.3146 0.0000 A 10 ARG NE N 15 84.1312 0.0000 A 11 LEU H H 1 7.7240 0.0000 A 11 LEU HA H 1 3.9794 0.0000 A 11 LEU HBx H 1 1.6337 0.0000 A 11 LEU HBy H 1 1.8370 0.0000 A 11 LEU HDx% H 1 0.9011 0.0000 A 11 LEU HDy% H 1 0.8186 0.0000 A 11 LEU HG H 1 1.6545 0.0000 A 12 TRP H H 1 8.3308 0.0000 A 12 TRP HA H 1 4.1949 0.0000 A 12 TRP HBx H 1 3.2183 0.0000 A 12 TRP HBy H 1 3.3950 0.0000 A 12 TRP HD1 H 1 7.0915 0.0000 A 12 TRP HE1 H 1 10.3796 0.0000 A 12 TRP HE3 H 1 7.4391 0.0000 A 12 TRP HH2 H 1 6.9454 0.0000 A 12 TRP HZ2 H 1 7.3242 0.0000 A 12 TRP HZ3 H 1 6.8697 0.0000 A 13 ALA H H 1 8.5351 0.0000 A 13 ALA HA H 1 3.6027 0.0000 A 13 ALA HB% H 1 1.4229 0.0000 A 14 LEU H H 1 8.1422 0.0000 A 14 LEU HBx H 1 1.3430 0.0000 A 14 LEU HDx% H 1 0.9045 0.0000 A 14 LEU HDy% H 1 0.8199 0.0000 A 15 SER H H 1 7.9157 0.0000 A 15 SER HA H 1 4.2009 0.0000 A 15 SER HBx H 1 3.8981 0.0000 A 16 LEU H H 1 7.8207 0.0000 A 16 LEU HA H 1 3.9810 0.0000 A 16 LEU HBx H 1 1.4014 0.0000 A 16 LEU HDx% H 1 0.6778 0.0000 A 16 LEU HDy% H 1 0.6117 0.0000 A 17 ALA H H 1 8.0104 0.0000 A 17 ALA HA H 1 3.9081 0.0000 A 17 ALA HB% H 1 1.3141 0.0000 A 18 HIS H H 1 8.1489 0.0000 A 18 HIS HA H 1 4.3427 0.0000 A 18 HIS HBx H 1 3.2453 0.0000 A 18 HIS HBy H 1 3.3210 0.0000 A 18 HIS HD2 H 1 7.2138 0.0000 A 18 HIS HE1 H 1 8.5293 0.0000 A 19 ALA H H 1 7.9077 0.0000 A 19 ALA HA H 1 4.1466 0.0000 A 19 ALA HB% H 1 1.4302 0.0000 A 20 GLN H H 1 8.0446 0.0000 A 20 GLN HA H 1 4.1514 0.0000 A 20 GLN HBx H 1 2.0139 0.0000 A 20 GLN HBy H 1 2.0826 0.0000 A 20 GLN HE2y H 1 7.1121 0.0000 A 20 GLN HE2x H 1 6.8370 0.0000 A 20 GLN HGx H 1 2.2406 0.0000 A 20 GLN HGy H 1 2.2790 0.0000 A 21 LEU H H 1 7.9881 0.0000 A 21 LEU HA H 1 4.2628 0.0000 A 21 LEU HDx% H 1 0.8986 0.0000 A 21 LEU HDy% H 1 0.8127 0.0000 A 21 LEU HG H 1 0.8132 0.0000 A 22 SER H H 1 8.1675 0.0000 A 22 SER HA H 1 4.3617 0.0000 A 22 SER HBx H 1 3.8117 0.0000 A 23 SER H H 1 7.8525 0.0000 A 23 SER HA H 1 4.3604 0.0000 A 23 SER HBx H 1 3.7602 0.0000 A 24 LYS H H 1 7.9972 0.0000 A 24 LYS HA H 1 4.2618 0.0000 A 24 LYS HBx H 1 1.6282 0.0000 A 24 LYS HGx H 1 1.5151 0.0000 A 25 LYS H H 1 7.9398 0.0000 A 25 LYS HA H 1 4.0725 0.0000 A 25 LYS HBx H 1 1.6757 0.0000 A 25 LYS HBy H 1 1.8120 0.0000 A 25 LYS HEx H 1 2.9091 0.0000 A 25 LYS HGx H 1 1.3819 0.0000 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 10 ARG HE A 10 ARG HBx 1.0 1.8 6.000 2 1 A 10 ARG HE A 10 ARG HBy 1.0 1.8 6.000 3 2 A 10 ARG HE A 10 ARG HGx 1.0 1.8 6.000 4 2 A 10 ARG HE A 10 ARG HGy 1.0 1.8 6.000 5 3 A 10 ARG H A 10 ARG HBx 1.0 1.8 6.000 6 3 A 10 ARG HBy A 10 ARG H 1.0 1.8 6.000 7 4 A 10 ARG H A 10 ARG HBx 1.0 1.8 6.000 8 4 A 10 ARG HBy A 10 ARG H 1.0 1.8 6.000 9 5 A 10 ARG H A 11 LEU HA 1.0 1.8 6.000 10 6 A 10 ARG HE A 11 LEU HDx% 1.0 1.8 6.000 11 6 A 10 ARG HE A 11 LEU HDy% 1.0 1.8 6.000 12 7 A 10 ARG H A 11 LEU HDx% 1.0 1.8 6.000 13 7 A 10 ARG H A 11 LEU HDy% 1.0 1.8 6.000 14 8 A 10 ARG H A 11 LEU H 1.0 1.8 6.000 15 9 A 10 ARG HE A 12 TRP HBx 1.0 1.8 6.000 16 9 A 10 ARG HE A 12 TRP HBy 1.0 1.8 6.000 17 10 A 10 ARG HE A 12 TRP HBx 1.0 1.8 6.000 18 10 A 10 ARG HE A 12 TRP HBy 1.0 1.8 6.000 19 11 A 10 ARG H A 12 TRP HBx 1.0 1.8 6.000 20 11 A 10 ARG H A 12 TRP HBy 1.0 1.8 6.000 21 12 A 10 ARG H A 12 TRP HBx 1.0 1.8 6.000 22 12 A 10 ARG H A 12 TRP HBy 1.0 1.8 6.000 23 13 A 10 ARG HE A 12 TRP HZ3 1.0 1.8 6.000 24 14 A 10 ARG HE A 13 ALA HB% 1.0 1.8 6.000 25 15 A 10 ARG H A 13 ALA HB% 1.0 1.8 6.000 26 16 A 1 LYS HA A 1 LYS HBx 1.0 1.8 4.353 27 16 A 1 LYS HA A 1 LYS HBy 1.0 1.8 4.353 28 17 A 2 LYS HA A 2 LYS HBx 1.0 1.8 4.200 29 17 A 2 LYS HA A 2 LYS HBy 1.0 1.8 4.200 30 18 A 2 LYS HA A 2 LYS HBx 1.0 1.8 4.280 31 18 A 2 LYS HA A 2 LYS HBy 1.0 1.8 4.280 32 19 A 2 LYS HA A 2 LYS HBx 1.0 1.8 5.516 33 19 A 2 LYS HA A 2 LYS HBy 1.0 1.8 5.516 34 20 A 2 LYS HA A 2 LYS HBx 1.0 2.8 5.959 35 20 A 2 LYS HA A 2 LYS HBy 1.0 2.8 5.959 36 21 A 2 LYS HA A 2 LYS HEx 1.0 1.8 4.656 37 21 A 2 LYS HA A 2 LYS HEy 1.0 1.8 4.656 38 22 A 2 LYS HBx A 2 LYS HEx 1.0 1.8 4.723 39 22 A 2 LYS HBy A 2 LYS HEx 1.0 1.8 4.723 40 22 A 2 LYS HEy A 2 LYS HBx 1.0 1.8 4.723 41 22 A 2 LYS HBy A 2 LYS HEy 1.0 1.8 4.723 42 23 A 2 LYS HBy A 2 LYS HGx 1.0 1.8 4.200 43 23 A 2 LYS HBx A 2 LYS HGx 1.0 1.8 4.200 44 23 A 2 LYS HGy A 2 LYS HBx 1.0 1.8 4.200 45 23 A 2 LYS HBy A 2 LYS HGy 1.0 1.8 4.200 46 24 A 2 LYS HBy A 2 LYS HGx 1.0 1.8 4.200 47 24 A 2 LYS HBx A 2 LYS HGx 1.0 1.8 4.200 48 24 A 2 LYS HGy A 2 LYS HBx 1.0 1.8 4.200 49 24 A 2 LYS HBy A 2 LYS HGy 1.0 1.8 4.200 50 25 A 2 LYS HEx A 2 LYS HGx 1.0 1.8 5.576 51 25 A 2 LYS HEy A 2 LYS HGx 1.0 1.8 5.576 52 25 A 2 LYS HGy A 2 LYS HEx 1.0 1.8 5.576 53 25 A 2 LYS HEy A 2 LYS HGy 1.0 1.8 5.576 54 26 A 2 LYS HA A 2 LYS H 1.0 2.4 4.800 55 27 A 2 LYS H A 2 LYS HBx 1.0 1.8 4.200 56 27 A 2 LYS HBy A 2 LYS H 1.0 1.8 4.200 57 28 A 2 LYS H A 2 LYS HBx 1.0 1.8 4.469 58 28 A 2 LYS HBy A 2 LYS H 1.0 1.8 4.469 59 29 A 2 LYS H A 2 LYS HGx 1.0 1.8 4.200 60 29 A 2 LYS HGy A 2 LYS H 1.0 1.8 4.200 61 30 A 2 LYS HZ% A 2 LYS HBx 1.0 1.8 5.444 62 30 A 2 LYS HBy A 2 LYS HZ% 1.0 1.8 5.444 63 31 A 2 LYS HA A 3 SER H 1.0 1.8 5.107 64 32 A 3 SER H A 2 LYS HBx 1.0 1.8 5.006 65 32 A 2 LYS HBy A 3 SER H 1.0 1.8 5.006 66 33 A 3 SER H A 2 LYS HGx 1.0 1.8 4.718 67 33 A 2 LYS HGy A 3 SER H 1.0 1.8 4.718 68 34 A 3 SER H A 3 SER HA 1.0 1.8 5.006 69 35 A 3 SER H A 3 SER HBx 1.0 1.8 5.273 70 35 A 3 SER H A 3 SER HBy 1.0 1.8 5.273 71 36 A 3 SER H A 3 SER HBx 1.0 1.8 5.302 72 36 A 3 SER H A 3 SER HBy 1.0 1.8 5.302 73 37 A 2 LYS H A 4 HIS HBx 1.0 1.8 5.323 74 37 A 2 LYS H A 4 HIS HBy 1.0 1.8 5.323 75 38 A 3 SER HA A 4 HIS H 1.0 1.8 5.694 76 39 A 4 HIS H A 3 SER HBx 1.0 1.8 5.097 77 39 A 3 SER HBy A 4 HIS H 1.0 1.8 5.097 78 40 A 4 HIS H A 3 SER HBx 1.0 1.8 5.324 79 40 A 3 SER HBy A 4 HIS H 1.0 1.8 5.324 80 41 A 4 HIS HA A 4 HIS HD2 1.0 1.8 5.694 81 41 A 4 HIS HA A 4 HIS HD1 1.0 1.8 5.694 82 42 A 4 HIS HD2 A 4 HIS HBx 1.0 1.8 5.074 83 42 A 4 HIS HD1 A 4 HIS HBx 1.0 1.8 5.074 84 42 A 4 HIS HBy A 4 HIS HD2 1.0 1.8 5.074 85 42 A 4 HIS HBy A 4 HIS HD1 1.0 1.8 5.074 86 43 A 4 HIS HD2 A 4 HIS HBx 1.0 1.8 5.634 87 43 A 4 HIS HD1 A 4 HIS HBx 1.0 1.8 5.634 88 43 A 4 HIS HBy A 4 HIS HD2 1.0 1.8 5.634 89 43 A 4 HIS HBy A 4 HIS HD1 1.0 1.8 5.634 90 44 A 4 HIS H A 4 HIS HA 1.0 1.8 4.200 91 45 A 4 HIS H A 4 HIS HBx 1.0 1.8 7.000 92 45 A 4 HIS HBy A 4 HIS H 1.0 1.8 7.000 93 46 A 4 HIS H A 4 HIS HBx 1.0 1.8 5.721 94 46 A 4 HIS HBy A 4 HIS H 1.0 1.8 5.721 95 47 A 2 LYS H A 5 THR HB 1.0 1.8 4.200 96 48 A 2 LYS H A 5 THR HG2% 1.0 1.8 5.493 97 48 A 2 LYS H A 5 THR HG1 1.0 1.8 5.493 98 49 A 4 HIS HA A 5 THR H 1.0 2.3 5.133 99 50 A 5 THR H A 4 HIS HBx 1.0 1.8 5.205 100 50 A 4 HIS HBy A 5 THR H 1.0 1.8 5.205 101 51 A 5 THR HB A 5 THR HA 1.0 1.8 4.200 102 52 A 5 THR HA A 5 THR HG2% 1.0 2.8 5.831 103 52 A 5 THR HG1 A 5 THR HA 1.0 2.8 5.831 104 53 A 5 THR HB A 5 THR HG2% 1.0 1.8 5.254 105 53 A 5 THR HB A 5 THR HG1 1.0 1.8 5.254 106 54 A 5 THR HA A 5 THR HG2% 1.0 1.8 5.120 107 55 A 5 THR HB A 5 THR HG2% 1.0 1.8 4.927 108 56 A 5 THR H A 5 THR HA 1.0 1.8 4.716 109 57 A 5 THR HB A 6 ALA H 1.0 1.8 4.989 110 58 A 6 ALA H A 5 THR HG2% 1.0 1.8 5.020 111 58 A 5 THR HG1 A 6 ALA H 1.0 1.8 5.020 112 59 A 5 THR H A 6 ALA H 1.0 1.8 4.284 113 60 A 6 ALA HA A 6 ALA HB% 1.0 1.8 4.200 114 61 A 6 ALA HA A 6 ALA HB% 1.0 1.8 4.200 115 62 A 6 ALA H A 6 ALA HA 1.0 1.8 4.746 116 63 A 6 ALA H A 6 ALA HA 1.0 1.8 4.595 117 64 A 6 ALA H A 6 ALA HB% 1.0 1.8 4.699 118 65 A 6 ALA H A 6 ALA HB% 1.0 1.8 5.437 119 66 A 4 HIS HA A 7 SER HBx 1.0 1.8 4.200 120 66 A 4 HIS HA A 7 SER HBy 1.0 1.8 4.200 121 67 A 4 HIS HA A 7 SER H 1.0 1.8 5.764 122 68 A 7 SER H A 5 THR HG2% 1.0 1.8 5.072 123 68 A 5 THR HG1 A 7 SER H 1.0 1.8 5.072 124 69 A 6 ALA H A 7 SER H 1.0 1.8 4.401 125 70 A 7 SER HA A 7 SER HBx 1.0 1.8 4.200 126 70 A 7 SER HBy A 7 SER HA 1.0 1.8 4.200 127 71 A 7 SER HA A 7 SER HBx 1.0 1.8 4.200 128 71 A 7 SER HBy A 7 SER HA 1.0 1.8 4.200 129 72 A 7 SER H A 7 SER HBx 1.0 1.8 4.366 130 72 A 7 SER HBy A 7 SER H 1.0 1.8 4.366 131 73 A 8 TYR HD% A 4 HIS HBx 1.0 1.8 6.614 132 73 A 4 HIS HBy A 8 TYR HD% 1.0 1.8 6.614 133 74 A 8 TYR HD% A 4 HIS HBx 1.0 2.8 5.856 134 74 A 4 HIS HBy A 8 TYR HD% 1.0 2.8 5.856 135 75 A 8 TYR HE% A 12 TRP HBx 1.0 2.8 6.271 136 75 A 12 TRP HBy A 8 TYR HE% 1.0 2.8 6.271 137 76 A 5 THR HA A 8 TYR HBx 1.0 1.8 4.795 138 76 A 5 THR HA A 8 TYR HBy 1.0 1.8 4.795 139 77 A 5 THR HB A 8 TYR HD% 1.0 1.8 5.471 140 78 A 8 TYR HD% A 5 THR HG2% 1.0 2.8 5.943 141 78 A 5 THR HG1 A 8 TYR HD% 1.0 2.8 5.943 142 79 A 5 THR HA A 8 TYR HE% 1.0 1.8 5.919 143 80 A 6 ALA HB% A 8 TYR HD% 1.0 1.8 5.736 144 81 A 8 TYR HA A 8 TYR HBx 1.0 1.8 5.365 145 81 A 8 TYR HBy A 8 TYR HA 1.0 1.8 5.365 146 82 A 8 TYR HA A 8 TYR HBx 1.0 1.8 5.188 147 82 A 8 TYR HBy A 8 TYR HA 1.0 1.8 5.188 148 83 A 8 TYR HD% A 8 TYR HA 1.0 1.8 5.608 149 84 A 8 TYR HD% A 8 TYR HBx 1.0 1.8 6.229 150 84 A 8 TYR HD% A 8 TYR HBy 1.0 1.8 6.229 151 85 A 8 TYR HD% A 8 TYR HBx 1.0 1.8 5.755 152 85 A 8 TYR HD% A 8 TYR HBy 1.0 1.8 5.755 153 86 A 8 TYR HE% A 8 TYR HA 1.0 1.8 6.337 154 87 A 8 TYR HE% A 8 TYR HBx 1.0 1.8 7.000 155 87 A 8 TYR HE% A 8 TYR HBy 1.0 1.8 7.000 156 88 A 8 TYR HE% A 8 TYR HBx 1.0 1.8 6.311 157 88 A 8 TYR HE% A 8 TYR HBy 1.0 1.8 6.311 158 89 A 8 TYR HD% A 8 TYR HE% 1.0 1.8 5.084 159 90 A 8 TYR HD% A 8 TYR HE% 1.0 1.8 4.275 160 91 A 8 TYR HA A 8 TYR H 1.0 1.8 5.137 161 92 A 8 TYR H A 8 TYR HBx 1.0 1.8 4.849 162 92 A 8 TYR HBy A 8 TYR H 1.0 1.8 4.849 163 93 A 8 TYR H A 8 TYR HBx 1.0 1.8 4.792 164 93 A 8 TYR HBy A 8 TYR H 1.0 1.8 4.792 165 94 A 8 TYR HD% A 8 TYR H 1.0 1.8 5.291 166 95 A 8 TYR HD% A 9 LEU HA 1.0 1.8 6.058 167 96 A 8 TYR HE% A 9 LEU HA 1.0 1.8 7.000 168 97 A 8 TYR HD% A 9 LEU HBx 1.0 1.8 6.363 169 97 A 8 TYR HD% A 9 LEU HBy 1.0 1.8 6.363 170 98 A 8 TYR HE% A 9 LEU HBx 1.0 1.8 5.125 171 98 A 8 TYR HE% A 9 LEU HBy 1.0 1.8 5.125 172 99 A 9 LEU H A 8 TYR HBx 1.0 1.8 4.864 173 99 A 8 TYR HBy A 9 LEU H 1.0 1.8 4.864 174 100 A 9 LEU H A 8 TYR HBx 1.0 1.8 5.758 175 100 A 8 TYR HBy A 9 LEU H 1.0 1.8 5.758 176 101 A 8 TYR HD% A 9 LEU H 1.0 1.8 5.018 177 102 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 4.200 178 102 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 4.200 179 103 A 9 LEU HA A 9 LEU HG 1.0 1.8 4.200 180 104 A 9 LEU HA A 9 LEU H 1.0 1.8 4.735 181 105 A 9 LEU H A 9 LEU HDx% 1.0 1.8 4.200 182 105 A 9 LEU H A 9 LEU HDy% 1.0 1.8 4.200 183 106 A 7 SER HA A 10 ARG HBx 1.0 1.8 5.725 184 106 A 10 ARG HBy A 7 SER HA 1.0 1.8 5.725 185 107 A 10 ARG HE A 8 TYR HD% 1.0 1.8 6.876 186 108 A 10 ARG HA A 10 ARG HBx 1.0 1.8 4.288 187 108 A 10 ARG HBy A 10 ARG HA 1.0 1.8 4.288 188 109 A 10 ARG HA A 10 ARG HBx 1.0 1.8 4.310 189 109 A 10 ARG HBy A 10 ARG HA 1.0 1.8 4.310 190 110 A 10 ARG HBx A 10 ARG HDx 1.0 1.8 4.946 191 110 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 4.946 192 110 A 10 ARG HBy A 10 ARG HDy 1.0 1.8 4.946 193 110 A 10 ARG HBy A 10 ARG HDx 1.0 1.8 4.946 194 111 A 10 ARG HE A 10 ARG HA 1.0 1.8 5.594 195 112 A 10 ARG HE A 10 ARG HBx 1.0 1.8 6.390 196 112 A 10 ARG HE A 10 ARG HBy 1.0 1.8 6.390 197 113 A 10 ARG HE A 10 ARG HBx 1.0 1.8 5.267 198 113 A 10 ARG HE A 10 ARG HBy 1.0 1.8 5.267 199 114 A 10 ARG HA A 10 ARG HGx 1.0 1.8 4.529 200 114 A 10 ARG HGy A 10 ARG HA 1.0 1.8 4.529 201 115 A 10 ARG HE A 10 ARG HGx 1.0 1.8 5.342 202 115 A 10 ARG HE A 10 ARG HGy 1.0 1.8 5.342 203 116 A 10 ARG HE A 10 ARG HH11 1.0 2.5 4.900 204 117 A 10 ARG H A 10 ARG HA 1.0 1.8 4.833 205 118 A 10 ARG H A 10 ARG HBx 1.0 1.8 4.985 206 118 A 10 ARG HBy A 10 ARG H 1.0 1.8 4.985 207 119 A 10 ARG H A 10 ARG HDx 1.0 1.8 5.390 208 119 A 10 ARG H A 10 ARG HDy 1.0 1.8 5.390 209 120 A 8 TYR HA A 11 LEU HBx 1.0 1.8 4.456 210 120 A 8 TYR HA A 11 LEU HBy 1.0 1.8 4.456 211 121 A 8 TYR HA A 11 LEU HBx 1.0 1.8 4.277 212 121 A 8 TYR HA A 11 LEU HBy 1.0 1.8 4.277 213 122 A 8 TYR HA A 11 LEU HBx 1.0 1.8 5.665 214 122 A 8 TYR HA A 11 LEU HBy 1.0 1.8 5.665 215 123 A 8 TYR HD% A 11 LEU HBx 1.0 1.8 5.172 216 123 A 8 TYR HD% A 11 LEU HBy 1.0 1.8 5.172 217 124 A 8 TYR HE% A 11 LEU HBx 1.0 1.8 6.659 218 124 A 8 TYR HE% A 11 LEU HBy 1.0 1.8 6.659 219 125 A 8 TYR HD% A 11 LEU HDx% 1.0 2.2 5.327 220 125 A 11 LEU HDy% A 8 TYR HD% 1.0 2.2 5.327 221 126 A 8 TYR HE% A 11 LEU HDx% 1.0 0.8 4.787 222 126 A 11 LEU HDy% A 8 TYR HE% 1.0 0.8 4.787 223 127 A 8 TYR HD% A 11 LEU HG 1.0 1.8 5.824 224 128 A 10 ARG HE A 11 LEU HDx% 1.0 1.8 5.356 225 128 A 10 ARG HE A 11 LEU HDy% 1.0 1.8 5.356 226 129 A 11 LEU H A 10 ARG HA 1.0 1.8 5.429 227 130 A 11 LEU H A 10 ARG HBx 1.0 1.8 4.771 228 130 A 10 ARG HBy A 11 LEU H 1.0 1.8 4.771 229 131 A 11 LEU H A 10 ARG HBx 1.0 1.8 5.144 230 131 A 10 ARG HBy A 11 LEU H 1.0 1.8 5.144 231 132 A 10 ARG H A 11 LEU H 1.0 1.8 4.574 232 133 A 11 LEU HA A 11 LEU HBx 1.0 1.8 4.334 233 133 A 11 LEU HA A 11 LEU HBy 1.0 1.8 4.334 234 134 A 11 LEU HA A 11 LEU HBx 1.0 1.8 5.554 235 134 A 11 LEU HA A 11 LEU HBy 1.0 1.8 5.554 236 135 A 11 LEU HA A 11 LEU HBx 1.0 1.8 4.954 237 135 A 11 LEU HA A 11 LEU HBy 1.0 1.8 4.954 238 136 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 4.888 239 136 A 11 LEU HA A 11 LEU HDy% 1.0 1.8 4.888 240 137 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 5.729 241 137 A 11 LEU HA A 11 LEU HDy% 1.0 1.8 5.729 242 138 A 11 LEU HBy A 11 LEU HDx% 1.0 1.8 5.158 243 138 A 11 LEU HBx A 11 LEU HDx% 1.0 1.8 5.158 244 138 A 11 LEU HDy% A 11 LEU HBx 1.0 1.8 5.158 245 138 A 11 LEU HDy% A 11 LEU HBy 1.0 1.8 5.158 246 139 A 11 LEU HA A 11 LEU HG 1.0 1.8 5.073 247 140 A 11 LEU HA A 11 LEU H 1.0 1.8 5.570 248 141 A 11 LEU H A 11 LEU HBx 1.0 1.8 4.858 249 141 A 11 LEU H A 11 LEU HBy 1.0 1.8 4.858 250 142 A 11 LEU H A 11 LEU HBx 1.0 1.8 5.389 251 142 A 11 LEU H A 11 LEU HBy 1.0 1.8 5.389 252 143 A 11 LEU H A 11 LEU HDx% 1.0 2.8 5.812 253 143 A 11 LEU HDy% A 11 LEU H 1.0 2.8 5.812 254 144 A 11 LEU H A 11 LEU HG 1.0 1.8 4.766 255 145 A 12 TRP HA A 8 TYR HBx 1.0 1.8 4.857 256 145 A 8 TYR HBy A 12 TRP HA 1.0 1.8 4.857 257 146 A 12 TRP HA A 8 TYR HBx 1.0 1.8 5.260 258 146 A 8 TYR HBy A 12 TRP HA 1.0 1.8 5.260 259 147 A 8 TYR HD% A 12 TRP HBx 1.0 1.8 7.000 260 147 A 12 TRP HBy A 8 TYR HD% 1.0 1.8 7.000 261 148 A 8 TYR HE% A 12 TRP HBx 1.0 1.8 6.253 262 148 A 12 TRP HBy A 8 TYR HE% 1.0 1.8 6.253 263 149 A 8 TYR HE% A 12 TRP HD1 1.0 1.8 5.062 264 150 A 9 LEU HA A 12 TRP HBx 1.0 1.8 4.741 265 150 A 12 TRP HBy A 9 LEU HA 1.0 1.8 4.741 266 151 A 9 LEU HA A 12 TRP HBx 1.0 1.8 5.264 267 151 A 12 TRP HBy A 9 LEU HA 1.0 1.8 5.264 268 152 A 9 LEU HA A 12 TRP HD1 1.0 1.8 7.000 269 153 A 9 LEU HG A 12 TRP HD1 1.0 1.8 5.590 270 154 A 9 LEU HA A 12 TRP HE3 1.0 1.8 6.715 271 155 A 12 TRP HE3 A 9 LEU HDx% 1.0 0.8 4.414 272 155 A 9 LEU HDy% A 12 TRP HE3 1.0 0.8 4.414 273 156 A 9 LEU HA A 12 TRP H 1.0 0.8 4.019 274 157 A 10 ARG HE A 12 TRP HZ3 1.0 0.8 4.603 275 158 A 11 LEU H A 12 TRP HA 1.0 1.8 5.304 276 159 A 11 LEU H A 12 TRP HBx 1.0 1.8 5.327 277 159 A 11 LEU H A 12 TRP HBy 1.0 1.8 5.327 278 160 A 11 LEU H A 12 TRP HBx 1.0 1.8 4.740 279 160 A 11 LEU H A 12 TRP HBy 1.0 1.8 4.740 280 161 A 12 TRP HD1 A 11 LEU HBx 1.0 1.8 7.000 281 161 A 11 LEU HBy A 12 TRP HD1 1.0 1.8 7.000 282 162 A 12 TRP HD1 A 11 LEU HDx% 1.0 1.8 5.946 283 162 A 11 LEU HDy% A 12 TRP HD1 1.0 1.8 5.946 284 163 A 11 LEU HG A 12 TRP HD1 1.0 1.8 5.178 285 164 A 12 TRP HE3 A 11 LEU HBx 1.0 1.8 7.000 286 164 A 11 LEU HBy A 12 TRP HE3 1.0 1.8 7.000 287 165 A 12 TRP HE3 A 11 LEU HDx% 1.0 1.8 5.430 288 165 A 11 LEU HDy% A 12 TRP HE3 1.0 1.8 5.430 289 166 A 11 LEU HA A 12 TRP H 1.0 1.8 5.611 290 167 A 12 TRP H A 11 LEU HBx 1.0 1.8 5.158 291 167 A 11 LEU HBy A 12 TRP H 1.0 1.8 5.158 292 168 A 12 TRP H A 11 LEU HBx 1.0 1.8 5.026 293 168 A 11 LEU HBy A 12 TRP H 1.0 1.8 5.026 294 169 A 12 TRP H A 11 LEU HDx% 1.0 1.8 5.128 295 169 A 11 LEU HDy% A 12 TRP H 1.0 1.8 5.128 296 170 A 11 LEU HG A 12 TRP H 1.0 1.8 4.614 297 171 A 11 LEU H A 12 TRP H 1.0 1.8 5.020 298 172 A 12 TRP HZ3 A 11 LEU HDx% 1.0 1.8 7.000 299 172 A 11 LEU HDy% A 12 TRP HZ3 1.0 1.8 7.000 300 173 A 12 TRP HA A 12 TRP HBx 1.0 1.8 4.756 301 173 A 12 TRP HBy A 12 TRP HA 1.0 1.8 4.756 302 174 A 12 TRP HA A 12 TRP HBx 1.0 1.8 5.142 303 174 A 12 TRP HBy A 12 TRP HA 1.0 1.8 5.142 304 175 A 12 TRP HA A 12 TRP HBx 1.0 1.8 5.059 305 175 A 12 TRP HBy A 12 TRP HA 1.0 1.8 5.059 306 176 A 12 TRP HA A 12 TRP HBx 1.0 1.8 4.978 307 176 A 12 TRP HBy A 12 TRP HA 1.0 1.8 4.978 308 177 A 12 TRP HA A 12 TRP HD1 1.0 1.8 5.124 309 178 A 12 TRP HD1 A 12 TRP HBx 1.0 1.8 5.368 310 178 A 12 TRP HBy A 12 TRP HD1 1.0 1.8 5.368 311 179 A 12 TRP HD1 A 12 TRP HBx 1.0 1.8 5.098 312 179 A 12 TRP HBy A 12 TRP HD1 1.0 1.8 5.098 313 180 A 12 TRP HD1 A 12 TRP HE3 1.0 1.8 4.401 314 180 A 12 TRP HD1 A 12 TRP HE1 1.0 1.8 4.401 315 181 A 12 TRP HD1 A 12 TRP HE3 1.0 1.8 4.679 316 181 A 12 TRP HD1 A 12 TRP HE1 1.0 1.8 4.679 317 182 A 12 TRP HA A 12 TRP HE3 1.0 1.8 5.635 318 183 A 12 TRP HE3 A 12 TRP HBx 1.0 1.8 5.563 319 183 A 12 TRP HBy A 12 TRP HE3 1.0 1.8 5.563 320 184 A 12 TRP HE3 A 12 TRP HBx 1.0 1.8 5.856 321 184 A 12 TRP HBy A 12 TRP HE3 1.0 1.8 5.856 322 185 A 12 TRP HD1 A 12 TRP HE3 1.0 2.8 5.929 323 186 A 12 TRP HE3 A 12 TRP HH2 1.0 2.3 5.635 324 187 A 12 TRP HA A 12 TRP H 1.0 1.8 5.236 325 188 A 12 TRP H A 12 TRP HBx 1.0 1.8 5.425 326 188 A 12 TRP HBy A 12 TRP H 1.0 1.8 5.425 327 189 A 12 TRP H A 12 TRP HBx 1.0 1.8 7.000 328 189 A 12 TRP HBy A 12 TRP H 1.0 1.8 7.000 329 190 A 12 TRP HD1 A 12 TRP H 1.0 1.8 7.000 330 191 A 12 TRP HE3 A 12 TRP H 1.0 1.8 5.734 331 192 A 12 TRP HD1 A 12 TRP HZ2 1.0 1.8 5.897 332 193 A 12 TRP HE3 A 12 TRP HZ2 1.0 1.8 5.344 333 193 A 12 TRP HE1 A 12 TRP HZ2 1.0 1.8 5.344 334 194 A 12 TRP HH2 A 12 TRP HZ2 1.0 1.8 5.267 335 195 A 12 TRP HH2 A 12 TRP HZ2 1.0 1.8 4.603 336 196 A 12 TRP HZ3 A 12 TRP HBx 1.0 1.8 5.584 337 196 A 12 TRP HBy A 12 TRP HZ3 1.0 1.8 5.584 338 197 A 12 TRP HZ3 A 12 TRP HBx 1.0 1.8 5.946 339 197 A 12 TRP HBy A 12 TRP HZ3 1.0 1.8 5.946 340 198 A 12 TRP HZ3 A 12 TRP HE3 1.0 1.8 4.200 341 199 A 12 TRP HZ3 A 12 TRP HE3 1.0 1.8 4.664 342 200 A 12 TRP HZ3 A 12 TRP HH2 1.0 1.8 5.064 343 201 A 12 TRP HZ3 A 12 TRP HH2 1.0 1.8 4.200 344 202 A 12 TRP HZ3 A 12 TRP HH2 1.0 1.8 4.723 345 203 A 9 LEU HA A 13 ALA H 1.0 1.8 5.903 346 204 A 9 LEU HG A 13 ALA H 1.0 1.8 5.753 347 205 A 13 ALA HB% A 10 ARG HA 1.0 1.8 4.200 348 206 A 13 ALA HB% A 10 ARG HA 1.0 1.8 4.736 349 207 A 12 TRP HE3 A 13 ALA HA 1.0 1.8 5.767 350 208 A 12 TRP H A 13 ALA HA 1.0 1.8 5.569 351 209 A 12 TRP HZ3 A 13 ALA HA 1.0 1.8 6.209 352 210 A 13 ALA HB% A 12 TRP HD1 1.0 1.8 7.000 353 211 A 13 ALA HB% A 12 TRP HE3 1.0 1.8 5.347 354 212 A 13 ALA HB% A 12 TRP HH2 1.0 1.8 7.000 355 213 A 13 ALA HB% A 12 TRP H 1.0 1.8 5.390 356 214 A 12 TRP HZ3 A 13 ALA HB% 1.0 1.8 5.780 357 215 A 12 TRP HA A 13 ALA H 1.0 1.8 4.651 358 216 A 13 ALA H A 12 TRP HBx 1.0 1.8 5.309 359 216 A 12 TRP HBy A 13 ALA H 1.0 1.8 5.309 360 217 A 13 ALA H A 12 TRP HBx 1.0 1.8 5.440 361 217 A 12 TRP HBy A 13 ALA H 1.0 1.8 5.440 362 218 A 12 TRP HE3 A 13 ALA H 1.0 1.8 4.521 363 219 A 12 TRP H A 13 ALA H 1.0 1.8 4.200 364 220 A 13 ALA HB% A 13 ALA HA 1.0 1.8 5.815 365 221 A 13 ALA HB% A 13 ALA HA 1.0 1.8 5.238 366 222 A 13 ALA H A 13 ALA HA 1.0 1.8 5.397 367 223 A 13 ALA HB% A 13 ALA H 1.0 1.8 4.360 368 224 A 11 LEU HA A 14 LEU H 1.0 1.8 4.390 369 225 A 12 TRP H A 14 LEU H 1.0 1.8 5.273 370 226 A 13 ALA H A 14 LEU HBx 1.0 1.8 4.925 371 226 A 13 ALA H A 14 LEU HBy 1.0 1.8 4.925 372 227 A 13 ALA H A 14 LEU HDx% 1.0 1.8 5.296 373 227 A 13 ALA H A 14 LEU HDy% 1.0 1.8 5.296 374 228 A 13 ALA HA A 14 LEU H 1.0 1.8 5.633 375 229 A 13 ALA HB% A 14 LEU H 1.0 1.8 4.321 376 230 A 14 LEU H A 14 LEU HDx% 1.0 1.8 5.217 377 230 A 14 LEU H A 14 LEU HDy% 1.0 1.8 5.217 378 231 A 11 LEU HA A 15 SER H 1.0 2.2 4.908 379 232 A 12 TRP HD1 A 15 SER HBx 1.0 1.8 7.000 380 232 A 12 TRP HD1 A 15 SER HBy 1.0 1.8 7.000 381 233 A 13 ALA HA A 15 SER H 1.0 1.8 4.977 382 234 A 15 SER H A 15 SER HA 1.0 1.8 4.402 383 235 A 15 SER H A 15 SER HBx 1.0 1.8 5.169 384 235 A 15 SER H A 15 SER HBy 1.0 1.8 5.169 385 236 A 12 TRP HD1 A 16 LEU HA 1.0 1.8 5.452 386 237 A 12 TRP HD1 A 16 LEU HDx% 1.0 1.8 6.238 387 237 A 12 TRP HD1 A 16 LEU HDy% 1.0 1.8 6.238 388 238 A 12 TRP HD1 A 16 LEU HDx% 1.0 1.8 7.000 389 238 A 12 TRP HD1 A 16 LEU HDy% 1.0 1.8 7.000 390 239 A 12 TRP HE3 A 16 LEU HDx% 1.0 1.8 7.000 391 239 A 12 TRP HE3 A 16 LEU HDy% 1.0 1.8 7.000 392 240 A 12 TRP HE3 A 16 LEU HDx% 1.0 1.8 5.825 393 240 A 12 TRP HE3 A 16 LEU HDy% 1.0 1.8 5.825 394 241 A 12 TRP HH2 A 16 LEU HDx% 1.0 1.8 7.000 395 241 A 12 TRP HH2 A 16 LEU HDy% 1.0 1.8 7.000 396 242 A 12 TRP HH2 A 16 LEU HDx% 1.0 1.8 7.000 397 242 A 12 TRP HH2 A 16 LEU HDy% 1.0 1.8 7.000 398 243 A 12 TRP HZ3 A 16 LEU HDx% 1.0 1.8 6.057 399 243 A 12 TRP HZ3 A 16 LEU HDy% 1.0 1.8 6.057 400 244 A 12 TRP HZ3 A 16 LEU HDx% 1.0 1.8 7.000 401 244 A 12 TRP HZ3 A 16 LEU HDy% 1.0 1.8 7.000 402 245 A 13 ALA HA A 16 LEU HBx 1.0 1.8 4.664 403 245 A 13 ALA HA A 16 LEU HBy 1.0 1.8 4.664 404 246 A 13 ALA HA A 16 LEU HBx 1.0 1.8 4.542 405 246 A 13 ALA HA A 16 LEU HBy 1.0 1.8 4.542 406 247 A 13 ALA HA A 16 LEU HDx% 1.0 1.8 5.700 407 247 A 13 ALA HA A 16 LEU HDy% 1.0 1.8 5.700 408 248 A 13 ALA HA A 16 LEU HDx% 1.0 1.8 5.665 409 248 A 13 ALA HA A 16 LEU HDy% 1.0 1.8 5.665 410 249 A 13 ALA HA A 16 LEU HDx% 1.0 1.8 6.829 411 249 A 13 ALA HA A 16 LEU HDy% 1.0 1.8 6.829 412 250 A 13 ALA HA A 16 LEU H 1.0 1.8 5.758 413 251 A 15 SER HA A 16 LEU H 1.0 1.8 5.006 414 252 A 16 LEU H A 15 SER HBx 1.0 1.8 4.792 415 252 A 15 SER HBy A 16 LEU H 1.0 1.8 4.792 416 253 A 15 SER H A 16 LEU H 1.0 1.8 5.345 417 254 A 16 LEU HA A 16 LEU HDx% 1.0 1.8 5.414 418 254 A 16 LEU HA A 16 LEU HDy% 1.0 1.8 5.414 419 255 A 16 LEU HA A 16 LEU HDx% 1.0 1.8 5.904 420 255 A 16 LEU HA A 16 LEU HDy% 1.0 1.8 5.904 421 256 A 16 LEU HA A 16 LEU HDx% 1.0 1.8 5.426 422 256 A 16 LEU HA A 16 LEU HDy% 1.0 1.8 5.426 423 257 A 16 LEU HA A 16 LEU HDx% 1.0 1.8 5.942 424 257 A 16 LEU HA A 16 LEU HDy% 1.0 1.8 5.942 425 258 A 16 LEU HBx A 16 LEU HDx% 1.0 1.8 5.255 426 258 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 5.255 427 258 A 16 LEU HDy% A 16 LEU HBx 1.0 1.8 5.255 428 258 A 16 LEU HDy% A 16 LEU HBy 1.0 1.8 5.255 429 259 A 16 LEU HBx A 16 LEU HDx% 1.0 1.8 5.046 430 259 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 5.046 431 259 A 16 LEU HDy% A 16 LEU HBx 1.0 1.8 5.046 432 259 A 16 LEU HDy% A 16 LEU HBy 1.0 1.8 5.046 433 260 A 16 LEU HBx A 16 LEU HDx% 1.0 1.8 5.345 434 260 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 5.345 435 260 A 16 LEU HDy% A 16 LEU HBx 1.0 1.8 5.345 436 260 A 16 LEU HDy% A 16 LEU HBy 1.0 1.8 5.345 437 261 A 16 LEU HBx A 16 LEU HDx% 1.0 1.8 5.680 438 261 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 5.680 439 261 A 16 LEU HDy% A 16 LEU HBx 1.0 1.8 5.680 440 261 A 16 LEU HDy% A 16 LEU HBy 1.0 1.8 5.680 441 262 A 16 LEU HBx A 16 LEU HDx% 1.0 1.8 4.746 442 262 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 4.746 443 262 A 16 LEU HDy% A 16 LEU HBx 1.0 1.8 4.746 444 262 A 16 LEU HDy% A 16 LEU HBy 1.0 1.8 4.746 445 263 A 16 LEU HBx A 16 LEU HDx% 1.0 1.8 4.481 446 263 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 4.481 447 263 A 16 LEU HDy% A 16 LEU HBx 1.0 1.8 4.481 448 263 A 16 LEU HDy% A 16 LEU HBy 1.0 1.8 4.481 449 264 A 16 LEU HBx A 16 LEU HDx% 1.0 1.8 4.316 450 264 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 4.316 451 264 A 16 LEU HDy% A 16 LEU HBx 1.0 1.8 4.316 452 264 A 16 LEU HDy% A 16 LEU HBy 1.0 1.8 4.316 453 265 A 16 LEU HBx A 16 LEU HDx% 1.0 1.8 4.200 454 265 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 4.200 455 265 A 16 LEU HDy% A 16 LEU HBx 1.0 1.8 4.200 456 265 A 16 LEU HDy% A 16 LEU HBy 1.0 1.8 4.200 457 266 A 16 LEU HA A 16 LEU H 1.0 1.8 4.632 458 267 A 16 LEU H A 16 LEU HBx 1.0 1.8 4.431 459 267 A 16 LEU HBy A 16 LEU H 1.0 1.8 4.431 460 268 A 16 LEU H A 16 LEU HDx% 1.0 1.8 5.733 461 268 A 16 LEU HDy% A 16 LEU H 1.0 1.8 5.733 462 269 A 16 LEU H A 16 LEU HDx% 1.0 1.8 6.209 463 269 A 16 LEU HDy% A 16 LEU H 1.0 1.8 6.209 464 270 A 16 LEU H A 16 LEU HDx% 1.0 1.8 6.161 465 270 A 16 LEU HDy% A 16 LEU H 1.0 1.8 6.161 466 271 A 13 ALA HA A 17 ALA H 1.0 1.8 5.512 467 272 A 16 LEU HA A 17 ALA H 1.0 1.8 4.857 468 273 A 17 ALA H A 16 LEU HDx% 1.0 2.8 5.957 469 273 A 16 LEU HDy% A 17 ALA H 1.0 2.8 5.957 470 274 A 17 ALA H A 16 LEU HDx% 1.0 1.8 5.435 471 274 A 16 LEU HDy% A 17 ALA H 1.0 1.8 5.435 472 275 A 16 LEU H A 17 ALA H 1.0 1.8 4.867 473 276 A 17 ALA HA A 17 ALA HB% 1.0 1.8 7.000 474 277 A 17 ALA HA A 17 ALA HB% 1.0 1.8 5.086 475 278 A 17 ALA H A 17 ALA HA 1.0 1.8 4.478 476 279 A 17 ALA H A 17 ALA HB% 1.0 2.8 5.899 477 280 A 15 SER HA A 18 HIS HBx 1.0 1.8 4.200 478 280 A 15 SER HA A 18 HIS HBy 1.0 1.8 4.200 479 281 A 18 HIS HD1 A 15 SER HBx 1.0 1.8 5.463 480 281 A 18 HIS HD2 A 15 SER HBx 1.0 1.8 5.463 481 281 A 15 SER HBy A 18 HIS HD2 1.0 1.8 5.463 482 281 A 15 SER HBy A 18 HIS HD1 1.0 1.8 5.463 483 282 A 16 LEU H A 18 HIS H 1.0 1.8 5.035 484 283 A 17 ALA HB% A 18 HIS HA 1.0 1.8 5.450 485 284 A 17 ALA HA A 18 HIS HD2 1.0 2.8 5.839 486 284 A 17 ALA HA A 18 HIS HD1 1.0 2.8 5.839 487 285 A 17 ALA HB% A 18 HIS HD2 1.0 1.8 6.813 488 285 A 17 ALA HB% A 18 HIS HD1 1.0 1.8 6.813 489 286 A 17 ALA HB% A 18 HIS H 1.0 1.8 5.155 490 287 A 18 HIS HA A 18 HIS HD2 1.0 1.8 5.532 491 287 A 18 HIS HD1 A 18 HIS HA 1.0 1.8 5.532 492 288 A 18 HIS HD1 A 18 HIS HBx 1.0 1.8 5.681 493 288 A 18 HIS HD2 A 18 HIS HBx 1.0 1.8 5.681 494 288 A 18 HIS HBy A 18 HIS HD2 1.0 1.8 5.681 495 288 A 18 HIS HBy A 18 HIS HD1 1.0 1.8 5.681 496 289 A 18 HIS HD1 A 18 HIS HBx 1.0 1.8 4.514 497 289 A 18 HIS HD2 A 18 HIS HBx 1.0 1.8 4.514 498 289 A 18 HIS HBy A 18 HIS HD2 1.0 1.8 4.514 499 289 A 18 HIS HBy A 18 HIS HD1 1.0 1.8 4.514 500 290 A 18 HIS H A 18 HIS HA 1.0 1.8 4.926 501 291 A 18 HIS H A 18 HIS HBx 1.0 1.8 4.433 502 291 A 18 HIS HBy A 18 HIS H 1.0 1.8 4.433 503 292 A 18 HIS H A 18 HIS HBx 1.0 1.8 4.558 504 292 A 18 HIS HBy A 18 HIS H 1.0 1.8 4.558 505 293 A 18 HIS H A 18 HIS HD2 1.0 1.8 5.603 506 293 A 18 HIS HD1 A 18 HIS H 1.0 1.8 5.603 507 294 A 19 ALA H A 16 LEU HDx% 1.0 1.8 5.850 508 294 A 16 LEU HDy% A 19 ALA H 1.0 1.8 5.850 509 295 A 19 ALA HA A 18 HIS HD2 1.0 1.8 5.067 510 295 A 18 HIS HD1 A 19 ALA HA 1.0 1.8 5.067 511 296 A 19 ALA HB% A 18 HIS HD2 1.0 1.8 5.639 512 296 A 18 HIS HD1 A 19 ALA HB% 1.0 1.8 5.639 513 297 A 18 HIS HA A 19 ALA H 1.0 2.3 4.905 514 298 A 19 ALA H A 18 HIS HBx 1.0 1.8 5.690 515 298 A 18 HIS HBy A 19 ALA H 1.0 1.8 5.690 516 299 A 19 ALA H A 18 HIS HBx 1.0 1.8 5.734 517 299 A 18 HIS HBy A 19 ALA H 1.0 1.8 5.734 518 300 A 18 HIS H A 19 ALA H 1.0 1.8 4.200 519 301 A 19 ALA HA A 19 ALA HB% 1.0 1.8 4.510 520 302 A 19 ALA H A 19 ALA HA 1.0 1.8 4.569 521 303 A 19 ALA H A 19 ALA HB% 1.0 1.8 4.968 522 304 A 20 GLN HE2y A 16 LEU HDx% 1.0 1.8 6.274 523 304 A 16 LEU HDy% A 20 GLN HE2y 1.0 1.8 6.274 524 305 A 20 GLN HE2y A 16 LEU HDx% 1.0 1.8 6.051 525 305 A 16 LEU HDy% A 20 GLN HE2y 1.0 1.8 6.051 526 306 A 20 GLN HE2y A 16 LEU HDx% 1.0 1.8 6.927 527 306 A 16 LEU HDy% A 20 GLN HE2y 1.0 1.8 6.927 528 307 A 17 ALA HA A 20 GLN HBx 1.0 1.8 5.571 529 307 A 17 ALA HA A 20 GLN HBy 1.0 1.8 5.571 530 308 A 17 ALA HA A 20 GLN HBx 1.0 1.8 4.423 531 308 A 17 ALA HA A 20 GLN HBy 1.0 1.8 4.423 532 309 A 17 ALA HA A 20 GLN HBx 1.0 1.8 5.255 533 309 A 17 ALA HA A 20 GLN HBy 1.0 1.8 5.255 534 310 A 17 ALA HA A 20 GLN HBx 1.0 1.8 5.286 535 310 A 17 ALA HA A 20 GLN HBy 1.0 1.8 5.286 536 311 A 17 ALA HA A 20 GLN HGx 1.0 2.8 5.994 537 311 A 17 ALA HA A 20 GLN HGy 1.0 2.8 5.994 538 312 A 17 ALA HA A 20 GLN HGx 1.0 1.8 5.238 539 312 A 17 ALA HA A 20 GLN HGy 1.0 1.8 5.238 540 313 A 17 ALA HA A 20 GLN HGx 1.0 1.8 5.402 541 313 A 17 ALA HA A 20 GLN HGy 1.0 1.8 5.402 542 314 A 17 ALA HA A 20 GLN HGx 1.0 1.8 5.623 543 314 A 17 ALA HA A 20 GLN HGy 1.0 1.8 5.623 544 315 A 18 HIS H A 20 GLN HBx 1.0 1.8 5.415 545 315 A 18 HIS H A 20 GLN HBy 1.0 1.8 5.415 546 316 A 18 HIS HD2 A 20 GLN HGx 1.0 1.8 7.000 547 316 A 20 GLN HGy A 18 HIS HD2 1.0 1.8 7.000 548 316 A 18 HIS HD1 A 20 GLN HGy 1.0 1.8 7.000 549 316 A 18 HIS HD1 A 20 GLN HGx 1.0 1.8 7.000 550 317 A 19 ALA H A 20 GLN HBx 1.0 1.8 5.630 551 317 A 19 ALA H A 20 GLN HBy 1.0 1.8 5.630 552 318 A 19 ALA HA A 20 GLN HE2y 1.0 1.8 6.481 553 319 A 19 ALA HB% A 20 GLN HE2y 1.0 1.8 5.230 554 320 A 19 ALA HB% A 20 GLN HE2y 1.0 1.8 7.000 555 321 A 19 ALA HB% A 20 GLN H 1.0 1.8 4.500 556 322 A 19 ALA H A 20 GLN H 1.0 1.8 4.200 557 323 A 20 GLN HA A 20 GLN HBx 1.0 1.8 4.960 558 323 A 20 GLN HBy A 20 GLN HA 1.0 1.8 4.960 559 324 A 20 GLN HA A 20 GLN HBx 1.0 1.8 4.739 560 324 A 20 GLN HBy A 20 GLN HA 1.0 1.8 4.739 561 325 A 20 GLN HA A 20 GLN HBx 1.0 1.8 6.206 562 325 A 20 GLN HBy A 20 GLN HA 1.0 1.8 6.206 563 326 A 20 GLN HA A 20 GLN HBx 1.0 1.8 4.944 564 326 A 20 GLN HBy A 20 GLN HA 1.0 1.8 4.944 565 327 A 20 GLN HE2y A 20 GLN HA 1.0 1.8 5.262 566 328 A 20 GLN HE2y A 20 GLN HBx 1.0 1.8 6.560 567 328 A 20 GLN HE2y A 20 GLN HBy 1.0 1.8 6.560 568 329 A 20 GLN HE2y A 20 GLN HBx 1.0 1.8 5.522 569 329 A 20 GLN HE2y A 20 GLN HBy 1.0 1.8 5.522 570 330 A 20 GLN HA A 20 GLN HGx 1.0 1.8 5.462 571 330 A 20 GLN HGy A 20 GLN HA 1.0 1.8 5.462 572 331 A 20 GLN HA A 20 GLN HGx 1.0 1.8 5.599 573 331 A 20 GLN HGy A 20 GLN HA 1.0 1.8 5.599 574 332 A 20 GLN HA A 20 GLN HGx 1.0 1.8 4.953 575 332 A 20 GLN HGy A 20 GLN HA 1.0 1.8 4.953 576 333 A 20 GLN HA A 20 GLN HGx 1.0 1.8 5.416 577 333 A 20 GLN HGy A 20 GLN HA 1.0 1.8 5.416 578 334 A 20 GLN HBx A 20 GLN HGx 1.0 1.8 4.947 579 334 A 20 GLN HBy A 20 GLN HGx 1.0 1.8 4.947 580 334 A 20 GLN HGy A 20 GLN HBx 1.0 1.8 4.947 581 334 A 20 GLN HBy A 20 GLN HGy 1.0 1.8 4.947 582 335 A 20 GLN HBx A 20 GLN HGx 1.0 1.8 4.716 583 335 A 20 GLN HBy A 20 GLN HGx 1.0 1.8 4.716 584 335 A 20 GLN HGy A 20 GLN HBx 1.0 1.8 4.716 585 335 A 20 GLN HBy A 20 GLN HGy 1.0 1.8 4.716 586 336 A 20 GLN HBx A 20 GLN HGx 1.0 1.8 4.532 587 336 A 20 GLN HBy A 20 GLN HGx 1.0 1.8 4.532 588 336 A 20 GLN HGy A 20 GLN HBx 1.0 1.8 4.532 589 336 A 20 GLN HBy A 20 GLN HGy 1.0 1.8 4.532 590 337 A 20 GLN HBx A 20 GLN HGx 1.0 1.8 4.699 591 337 A 20 GLN HBy A 20 GLN HGx 1.0 1.8 4.699 592 337 A 20 GLN HGy A 20 GLN HBx 1.0 1.8 4.699 593 337 A 20 GLN HBy A 20 GLN HGy 1.0 1.8 4.699 594 338 A 20 GLN HBx A 20 GLN HGx 1.0 1.8 4.839 595 338 A 20 GLN HBy A 20 GLN HGx 1.0 1.8 4.839 596 338 A 20 GLN HGy A 20 GLN HBx 1.0 1.8 4.839 597 338 A 20 GLN HBy A 20 GLN HGy 1.0 1.8 4.839 598 339 A 20 GLN HE2y A 20 GLN HGx 1.0 1.8 7.000 599 339 A 20 GLN HE2y A 20 GLN HGy 1.0 1.8 7.000 600 340 A 20 GLN HE2y A 20 GLN HGx 1.0 1.8 6.154 601 340 A 20 GLN HE2y A 20 GLN HGy 1.0 1.8 6.154 602 341 A 20 GLN HE2y A 20 GLN HGx 1.0 1.8 5.545 603 341 A 20 GLN HE2y A 20 GLN HGy 1.0 1.8 5.545 604 342 A 20 GLN HE2y A 20 GLN HGx 1.0 1.8 5.228 605 342 A 20 GLN HE2y A 20 GLN HGy 1.0 1.8 5.228 606 343 A 20 GLN HE2y A 20 GLN HGx 1.0 1.8 6.123 607 343 A 20 GLN HE2y A 20 GLN HGy 1.0 1.8 6.123 608 344 A 20 GLN H A 20 GLN HA 1.0 1.8 4.516 609 345 A 20 GLN H A 20 GLN HBx 1.0 1.8 4.419 610 345 A 20 GLN HBy A 20 GLN H 1.0 1.8 4.419 611 346 A 20 GLN H A 20 GLN HBx 1.0 1.8 4.539 612 346 A 20 GLN HBy A 20 GLN H 1.0 1.8 4.539 613 347 A 20 GLN H A 20 GLN HGx 1.0 1.8 5.539 614 347 A 20 GLN HGy A 20 GLN H 1.0 1.8 5.539 615 348 A 20 GLN H A 20 GLN HGx 1.0 1.8 4.865 616 348 A 20 GLN HGy A 20 GLN H 1.0 1.8 4.865 617 349 A 18 HIS HD1 A 21 LEU HDx% 1.0 1.8 5.272 618 349 A 18 HIS HD2 A 21 LEU HDx% 1.0 1.8 5.272 619 349 A 21 LEU HDy% A 18 HIS HD2 1.0 1.8 5.272 620 349 A 18 HIS HD1 A 21 LEU HDy% 1.0 1.8 5.272 621 350 A 19 ALA H A 21 LEU HDx% 1.0 1.8 5.389 622 350 A 19 ALA H A 21 LEU HDy% 1.0 1.8 5.389 623 351 A 19 ALA HB% A 21 LEU H 1.0 1.8 5.011 624 352 A 20 GLN HE2y A 21 LEU HDx% 1.0 1.8 5.737 625 352 A 20 GLN HE2y A 21 LEU HDy% 1.0 1.8 5.737 626 353 A 20 GLN H A 21 LEU HG 1.0 1.8 5.012 627 354 A 20 GLN HA A 21 LEU H 1.0 1.8 4.273 628 355 A 21 LEU H A 20 GLN HBx 1.0 1.8 5.164 629 355 A 20 GLN HBy A 21 LEU H 1.0 1.8 5.164 630 356 A 21 LEU H A 20 GLN HBx 1.0 1.8 6.927 631 356 A 20 GLN HBy A 21 LEU H 1.0 1.8 6.927 632 357 A 21 LEU H A 20 GLN HGx 1.0 1.8 5.261 633 357 A 20 GLN HGy A 21 LEU H 1.0 1.8 5.261 634 358 A 21 LEU H A 20 GLN HGx 1.0 1.8 5.163 635 358 A 20 GLN HGy A 21 LEU H 1.0 1.8 5.163 636 359 A 21 LEU HA A 21 LEU HDx% 1.0 1.8 5.386 637 359 A 21 LEU HDy% A 21 LEU HA 1.0 1.8 5.386 638 360 A 21 LEU H A 21 LEU HA 1.0 1.8 5.038 639 361 A 21 LEU H A 21 LEU HDx% 1.0 1.8 5.287 640 361 A 21 LEU HDy% A 21 LEU H 1.0 1.8 5.287 641 362 A 22 SER HA A 22 SER H 1.0 1.8 4.200 642 363 A 22 SER H A 22 SER HBx 1.0 1.8 5.715 643 363 A 22 SER H A 22 SER HBy 1.0 1.8 5.715 644 364 A 20 GLN HA A 23 SER H 1.0 1.8 5.119 645 365 A 23 SER H A 20 GLN HBx 1.0 1.8 5.400 646 365 A 20 GLN HBy A 23 SER H 1.0 1.8 5.400 647 366 A 23 SER H A 20 GLN HGx 1.0 1.8 5.412 648 366 A 20 GLN HGy A 23 SER H 1.0 1.8 5.412 649 367 A 23 SER H A 21 LEU HDx% 1.0 1.8 5.766 650 367 A 21 LEU HDy% A 23 SER H 1.0 1.8 5.766 651 368 A 22 SER H A 23 SER H 1.0 1.8 4.356 652 369 A 23 SER H A 23 SER HA 1.0 1.8 5.613 653 370 A 23 SER H A 23 SER HBx 1.0 1.8 5.287 654 370 A 23 SER H A 23 SER HBy 1.0 1.8 5.287 655 371 A 23 SER H A 24 LYS HA 1.0 1.8 4.318 656 372 A 23 SER H A 24 LYS HBx 1.0 1.8 5.216 657 372 A 23 SER H A 24 LYS HBy 1.0 1.8 5.216 658 373 A 23 SER H A 24 LYS H 1.0 1.8 4.894 659 374 A 24 LYS HA A 24 LYS HBx 1.0 1.8 4.280 660 374 A 24 LYS HA A 24 LYS HBy 1.0 1.8 4.280 661 375 A 24 LYS HA A 24 LYS HBx 1.0 1.8 5.070 662 375 A 24 LYS HA A 24 LYS HBy 1.0 1.8 5.070 663 376 A 24 LYS H A 24 LYS HBx 1.0 1.8 4.241 664 376 A 24 LYS HBy A 24 LYS H 1.0 1.8 4.241 665 377 A 24 LYS H A 24 LYS HGx 1.0 1.8 4.200 666 377 A 24 LYS H A 24 LYS HGy 1.0 1.8 4.200 667 378 A 25 LYS HA A 25 LYS HBx 1.0 1.8 4.356 668 378 A 25 LYS HA A 25 LYS HBy 1.0 1.8 4.356 669 379 A 25 LYS HA A 25 LYS HBx 1.0 1.8 4.295 670 379 A 25 LYS HA A 25 LYS HBy 1.0 1.8 4.295 671 380 A 25 LYS HA A 25 LYS HEx 1.0 1.8 4.637 672 380 A 25 LYS HA A 25 LYS HEy 1.0 1.8 4.637 673 381 A 25 LYS HBx A 25 LYS HEx 1.0 1.8 4.662 674 381 A 25 LYS HBy A 25 LYS HEx 1.0 1.8 4.662 675 381 A 25 LYS HEy A 25 LYS HBx 1.0 1.8 4.662 676 381 A 25 LYS HBy A 25 LYS HEy 1.0 1.8 4.662 677 382 A 25 LYS HBx A 25 LYS HEx 1.0 1.8 4.232 678 382 A 25 LYS HBy A 25 LYS HEx 1.0 1.8 4.232 679 382 A 25 LYS HEy A 25 LYS HBx 1.0 1.8 4.232 680 382 A 25 LYS HBy A 25 LYS HEy 1.0 1.8 4.232 681 383 A 25 LYS HBx A 25 LYS HEx 1.0 1.8 4.861 682 383 A 25 LYS HBy A 25 LYS HEx 1.0 1.8 4.861 683 383 A 25 LYS HEy A 25 LYS HBx 1.0 1.8 4.861 684 383 A 25 LYS HBy A 25 LYS HEy 1.0 1.8 4.861 685 384 A 25 LYS HBy A 25 LYS HGx 1.0 1.8 4.466 686 384 A 25 LYS HBx A 25 LYS HGx 1.0 1.8 4.466 687 384 A 25 LYS HGy A 25 LYS HBx 1.0 1.8 4.466 688 384 A 25 LYS HBy A 25 LYS HGy 1.0 1.8 4.466 689 385 A 25 LYS HBy A 25 LYS HGx 1.0 1.8 4.200 690 385 A 25 LYS HBx A 25 LYS HGx 1.0 1.8 4.200 691 385 A 25 LYS HGy A 25 LYS HBx 1.0 1.8 4.200 692 385 A 25 LYS HBy A 25 LYS HGy 1.0 1.8 4.200 693 386 A 25 LYS HEy A 25 LYS HGx 1.0 1.8 5.576 694 386 A 25 LYS HEx A 25 LYS HGx 1.0 1.8 5.576 695 386 A 25 LYS HGy A 25 LYS HEx 1.0 1.8 5.576 696 386 A 25 LYS HEy A 25 LYS HGy 1.0 1.8 5.576 697 387 A 25 LYS HA A 25 LYS H 1.0 1.8 5.298 698 388 A 25 LYS H A 25 LYS HBx 1.0 1.8 4.200 699 388 A 25 LYS HBy A 25 LYS H 1.0 1.8 4.200 700 389 A 25 LYS H A 25 LYS HGx 1.0 2.8 5.843 701 389 A 25 LYS HGy A 25 LYS H 1.0 2.8 5.843 702 390 A 25 LYS H A 25 LYS HGx 1.0 1.8 4.615 703 390 A 25 LYS HGy A 25 LYS H 1.0 1.8 4.615 704 391 A 7 SER HA A 10 ARG HA 1.0 1.8 4.236 705 392 A 7 SER HA A 10 ARG HBx 1.0 1.8 4.113 706 392 A 10 ARG HBy A 7 SER HA 1.0 1.8 4.113 707 393 A 7 SER HA A 10 ARG HDx 1.0 1.8 4.077 708 393 A 7 SER HA A 10 ARG HDy 1.0 1.8 4.077 709 394 A 7 SER HA A 10 ARG HDx 1.0 1.8 4.454 710 394 A 7 SER HA A 10 ARG HDy 1.0 1.8 4.454 711 395 A 8 TYR HD% A 10 ARG HDx 1.0 1.8 3.700 712 395 A 8 TYR HD% A 10 ARG HDy 1.0 1.8 3.700 713 396 A 8 TYR HD% A 10 ARG HDx 1.0 1.8 3.630 714 396 A 8 TYR HD% A 10 ARG HDy 1.0 1.8 3.630 715 397 A 10 ARG HA A 10 ARG HBx 1.0 1.8 3.481 716 397 A 10 ARG HBy A 10 ARG HA 1.0 1.8 3.481 717 398 A 10 ARG HA A 10 ARG HBx 1.0 1.8 3.299 718 398 A 10 ARG HBy A 10 ARG HA 1.0 1.8 3.299 719 399 A 10 ARG HA A 10 ARG HBx 1.0 1.8 3.087 720 399 A 10 ARG HBy A 10 ARG HA 1.0 1.8 3.087 721 400 A 10 ARG HA A 10 ARG HDx 1.0 1.8 3.872 722 400 A 10 ARG HA A 10 ARG HDy 1.0 1.8 3.872 723 401 A 10 ARG HA A 10 ARG HDx 1.0 1.8 3.842 724 401 A 10 ARG HA A 10 ARG HDy 1.0 1.8 3.842 725 402 A 10 ARG HA A 10 ARG HDx 1.0 1.8 3.729 726 402 A 10 ARG HA A 10 ARG HDy 1.0 1.8 3.729 727 403 A 10 ARG HBx A 10 ARG HDx 1.0 1.8 3.499 728 403 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 3.499 729 403 A 10 ARG HBy A 10 ARG HDy 1.0 1.8 3.499 730 403 A 10 ARG HBy A 10 ARG HDx 1.0 1.8 3.499 731 404 A 10 ARG HBx A 10 ARG HDx 1.0 1.8 3.430 732 404 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 3.430 733 404 A 10 ARG HBy A 10 ARG HDy 1.0 1.8 3.430 734 404 A 10 ARG HBy A 10 ARG HDx 1.0 1.8 3.430 735 405 A 10 ARG HBx A 10 ARG HDx 1.0 1.8 3.440 736 405 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 3.440 737 405 A 10 ARG HBy A 10 ARG HDy 1.0 1.8 3.440 738 405 A 10 ARG HBy A 10 ARG HDx 1.0 1.8 3.440 739 406 A 10 ARG HBx A 10 ARG HDx 1.0 1.8 3.469 740 406 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 3.469 741 406 A 10 ARG HBy A 10 ARG HDy 1.0 1.8 3.469 742 406 A 10 ARG HBy A 10 ARG HDx 1.0 1.8 3.469 743 407 A 10 ARG HBx A 10 ARG HDx 1.0 1.8 3.551 744 407 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 3.551 745 407 A 10 ARG HBy A 10 ARG HDy 1.0 1.8 3.551 746 407 A 10 ARG HBy A 10 ARG HDx 1.0 1.8 3.551 747 408 A 10 ARG HBx A 10 ARG HDx 1.0 1.8 3.611 748 408 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 3.611 749 408 A 10 ARG HBy A 10 ARG HDy 1.0 1.8 3.611 750 408 A 10 ARG HBy A 10 ARG HDx 1.0 1.8 3.611 751 409 A 10 ARG HE A 10 ARG HDx 1.0 1.8 3.317 752 409 A 10 ARG HE A 10 ARG HDy 1.0 1.8 3.317 753 410 A 10 ARG HE A 10 ARG HDx 1.0 1.8 3.460 754 410 A 10 ARG HE A 10 ARG HDy 1.0 1.8 3.460 755 411 A 10 ARG HA A 10 ARG HGx 1.0 1.8 3.620 756 411 A 10 ARG HGy A 10 ARG HA 1.0 1.8 3.620 757 412 A 10 ARG HA A 10 ARG HGx 1.0 1.8 3.469 758 412 A 10 ARG HGy A 10 ARG HA 1.0 1.8 3.469 759 413 A 10 ARG HA A 10 ARG HGx 1.0 1.8 2.968 760 413 A 10 ARG HGy A 10 ARG HA 1.0 1.8 2.968 761 414 A 10 ARG HBy A 10 ARG HGx 1.0 1.8 3.288 762 414 A 10 ARG HGy A 10 ARG HBx 1.0 1.8 3.288 763 414 A 10 ARG HBy A 10 ARG HGy 1.0 1.8 3.288 764 414 A 10 ARG HBx A 10 ARG HGx 1.0 1.8 3.288 765 415 A 10 ARG HBy A 10 ARG HGx 1.0 1.8 3.173 766 415 A 10 ARG HGy A 10 ARG HBx 1.0 1.8 3.173 767 415 A 10 ARG HBy A 10 ARG HGy 1.0 1.8 3.173 768 415 A 10 ARG HBx A 10 ARG HGx 1.0 1.8 3.173 769 416 A 10 ARG HBy A 10 ARG HGx 1.0 1.8 3.329 770 416 A 10 ARG HGy A 10 ARG HBx 1.0 1.8 3.329 771 416 A 10 ARG HBy A 10 ARG HGy 1.0 1.8 3.329 772 416 A 10 ARG HBx A 10 ARG HGx 1.0 1.8 3.329 773 417 A 10 ARG HBy A 10 ARG HGx 1.0 1.8 3.542 774 417 A 10 ARG HGy A 10 ARG HBx 1.0 1.8 3.542 775 417 A 10 ARG HBy A 10 ARG HGy 1.0 1.8 3.542 776 417 A 10 ARG HBx A 10 ARG HGx 1.0 1.8 3.542 777 418 A 10 ARG HDy A 10 ARG HGx 1.0 1.8 2.900 778 418 A 10 ARG HGy A 10 ARG HDx 1.0 1.8 2.900 779 418 A 10 ARG HGy A 10 ARG HDy 1.0 1.8 2.900 780 418 A 10 ARG HDx A 10 ARG HGx 1.0 1.8 2.900 781 419 A 10 ARG HDx A 10 ARG HGx 1.0 1.8 3.080 782 419 A 10 ARG HDy A 10 ARG HGx 1.0 1.8 3.080 783 419 A 10 ARG HGy A 10 ARG HDx 1.0 1.8 3.080 784 419 A 10 ARG HGy A 10 ARG HDy 1.0 1.8 3.080 785 420 A 10 ARG HDx A 10 ARG HGx 1.0 1.8 2.775 786 420 A 10 ARG HDy A 10 ARG HGx 1.0 1.8 2.775 787 420 A 10 ARG HGy A 10 ARG HDx 1.0 1.8 2.775 788 420 A 10 ARG HGy A 10 ARG HDy 1.0 1.8 2.775 789 421 A 10 ARG HE A 10 ARG HGx 1.0 1.8 3.767 790 421 A 10 ARG HE A 10 ARG HGy 1.0 1.8 3.767 791 422 A 10 ARG HE A 10 ARG HGx 1.0 1.8 3.721 792 422 A 10 ARG HE A 10 ARG HGy 1.0 1.8 3.721 793 423 A 10 ARG H A 10 ARG HA 1.0 1.8 3.217 794 424 A 10 ARG H A 10 ARG HBx 1.0 1.8 3.503 795 424 A 10 ARG HBy A 10 ARG H 1.0 1.8 3.503 796 425 A 10 ARG H A 10 ARG HBx 1.0 1.8 3.428 797 425 A 10 ARG HBy A 10 ARG H 1.0 1.8 3.428 798 426 A 10 ARG H A 10 ARG HDx 1.0 1.8 4.402 799 426 A 10 ARG H A 10 ARG HDy 1.0 1.8 4.402 800 427 A 10 ARG H A 10 ARG HDx 1.0 1.8 4.417 801 427 A 10 ARG H A 10 ARG HDy 1.0 1.8 4.417 802 428 A 10 ARG H A 10 ARG HGx 1.0 1.8 4.251 803 428 A 10 ARG HGy A 10 ARG H 1.0 1.8 4.251 804 429 A 10 ARG H A 10 ARG HGx 1.0 1.8 3.962 805 429 A 10 ARG HGy A 10 ARG H 1.0 1.8 3.962 806 430 A 11 LEU H A 10 ARG HA 1.0 1.8 3.980 807 431 A 11 LEU H A 10 ARG HBx 1.0 1.8 3.819 808 431 A 10 ARG HBy A 11 LEU H 1.0 1.8 3.819 809 432 A 11 LEU H A 10 ARG HBx 1.0 1.8 3.937 810 432 A 10 ARG HBy A 11 LEU H 1.0 1.8 3.937 811 433 A 10 ARG HA A 13 ALA H 1.0 1.8 4.249 812 434 A 8 TYR HE% A 12 TRP HE3 1.0 2.1 3.903 813 435 A 8 TYR HE% A 12 TRP HZ2 1.0 2.1 3.903 814 436 A 8 TYR HE% A 12 TRP HD1 1.0 2.1 3.903 815 437 A 10 ARG HE A 12 TRP HZ3 1.0 2.1 3.903 816 438 A 10 ARG HE A 8 TYR HD% 1.0 2.1 3.903 817 439 A 10 ARG HE A 12 TRP HZ3 1.0 1.8 4.603 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 6 ALA H A 2 LYS O 1.0 2.1 3.5 2 2 A 7 SER H A 3 SER O 1.0 2.1 3.5 3 3 A 8 TYR H A 4 HIS O 1.0 2.1 3.5 4 4 A 9 LEU H A 5 THR O 1.0 2.1 3.5 5 5 A 10 ARG H A 6 ALA O 1.0 2.1 3.5 6 6 A 11 LEU H A 7 SER O 1.0 2.1 3.5 7 7 A 12 TRP H A 8 TYR O 1.0 2.1 3.5 8 8 A 13 ALA H A 9 LEU O 1.0 2.1 3.5 9 9 A 14 LEU H A 10 ARG O 1.0 2.1 3.5 10 10 A 15 SER H A 11 LEU O 1.0 2.1 3.5 11 11 A 16 LEU H A 12 TRP O 1.0 2.1 3.5 12 12 A 17 ALA H A 13 ALA O 1.0 2.1 3.5 13 13 A 18 HIS H A 14 LEU O 1.0 2.1 3.5 14 14 A 19 ALA H A 15 SER O 1.0 2.1 3.5 15 15 A 20 GLN H A 16 LEU O 1.0 2.1 3.5 16 16 A 21 LEU H A 17 ALA O 1.0 2.1 3.5 17 17 A 22 SER H A 18 HIS O 1.0 2.1 3.5 18 18 A 23 SER H A 19 ALA O 1.0 2.1 3.5 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 A 3 SER C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -95.15 -35.15 PHI 2 2 A 4 HIS N A 4 HIS CA A 4 HIS C A 5 THR N 1.0 -64.88 -4.88 PSI 3 3 A 6 ALA C A 7 SER N A 7 SER CA A 7 SER C 1.0 -111.03 -11.03 PHI 4 4 A 7 SER N A 7 SER CA A 7 SER C A 8 TYR N 1.0 -79.62 0.38 PSI 5 5 A 7 SER C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -103.67 -23.67 PHI 6 6 A 8 TYR N A 8 TYR CA A 8 TYR C A 9 LEU N 1.0 -71.17 -11.17 PSI 7 7 A 8 TYR C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -95.94 -35.94 PHI 8 8 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 ARG N 1.0 -69.50 -9.50 PSI 9 9 A 9 LEU C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -93.74 -33.74 PHI 10 10 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 LEU N 1.0 -66.76 -6.76 PSI 11 11 A 10 ARG C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -107.24 -27.24 PHI 12 12 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 TRP N 1.0 -79.23 0.77 PSI 13 13 A 11 LEU C A 12 TRP N A 12 TRP CA A 12 TRP C 1.0 -112.23 -12.23 PHI 14 14 A 12 TRP N A 12 TRP CA A 12 TRP C A 13 ALA N 1.0 -94.58 5.42 PSI 15 15 A 14 LEU C A 15 SER N A 15 SER CA A 15 SER C 1.0 -94.51 -34.51 PHI 16 16 A 15 SER N A 15 SER CA A 15 SER C A 16 LEU N 1.0 -57.81 2.19 PSI 17 17 A 15 SER C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -93.80 -33.80 PHI 18 18 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ALA N 1.0 -65.51 -5.51 PSI 19 19 A 16 LEU C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -92.89 -32.89 PHI 20 20 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 HIS N 1.0 -65.93 -5.93 PSI stop_ save_