data_Remediated_restraints_file_for_PDB_entry_1dn3 # This BMRB archive file contains, for PDB entry 1dn3: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process, minor modifications could # have occurred to the NMR restraints information, or data could have been lost # because of parsing or conversion errors. The PDB file remains the # authoritative reference for the atomic coordinates and the originally deposited # restraints files remain the primary reference for these data. # # This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in # collaboration with the PDBe (formerly MSD) group at the European # Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud # University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1dn3 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1dn3' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1dn3' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1dn3 'Master copy' rr_1dn3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1dn3 _Assembly.ID 1 _Assembly.Name 1dn3 _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 1606.9009 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'GLN ALA PRO ALA TYR LYS LYS ALA ALA LYS LYS LEU ALA GLU SER' 1 $GLN_ALA_PRO_ALA_TYR_LYS_LYS_ALA_ALA_LYS_LYS_LEU_ALA_GLU_SER A . no . . . . . . rr_1dn3 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GLN_ALA_PRO_ALA_TYR_LYS_LYS_ALA_ALA_LYS_LYS_LEU_ALA_GLU_SER _Entity.Sf_category entity _Entity.Sf_framecode GLN_ALA_PRO_ALA_TYR_LYS_LYS_ALA_ALA_LYS_LYS_LEU_ALA_GLU_SER _Entity.Entry_ID rr_1dn3 _Entity.ID 1 _Entity.Name GLN_ALA_PRO_ALA_TYR_LYS_LYS_ALA_ALA_LYS_LYS_LEU_ALA_GLU_SER _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code QAPAYKKAAKKLAES _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 15 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 1606.9009 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLN . rr_1dn3 1 2 . ALA . rr_1dn3 1 3 . PRO . rr_1dn3 1 4 . ALA . rr_1dn3 1 5 . TYR . rr_1dn3 1 6 . LYS . rr_1dn3 1 7 . LYS . rr_1dn3 1 8 . ALA . rr_1dn3 1 9 . ALA . rr_1dn3 1 10 . LYS . rr_1dn3 1 11 . LYS . rr_1dn3 1 12 . LEU . rr_1dn3 1 13 . ALA . rr_1dn3 1 14 . GLU . rr_1dn3 1 15 . SER . rr_1dn3 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLN 1 1 rr_1dn3 1 . ALA 2 2 rr_1dn3 1 . PRO 3 3 rr_1dn3 1 . ALA 4 4 rr_1dn3 1 . TYR 5 5 rr_1dn3 1 . LYS 6 6 rr_1dn3 1 . LYS 7 7 rr_1dn3 1 . ALA 8 8 rr_1dn3 1 . ALA 9 9 rr_1dn3 1 . LYS 10 10 rr_1dn3 1 . LYS 11 11 rr_1dn3 1 . LEU 12 12 rr_1dn3 1 . ALA 13 13 rr_1dn3 1 . GLU 14 14 rr_1dn3 1 . SER 15 15 rr_1dn3 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1dn3 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID rr_1dn3 _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . rr_1dn3 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . rr_1dn3 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 GLN C C 7.518 -4.966 4.221 . . . 1.0 . . . . . . . . . . . . A . 1 GLN C . . . . . . . . . rr_1dn3 1 . 1 . 2 . 1 1 1 GLN CA C 8.779 -5.340 3.421 . . . 1.0 . . . . . . . . . . . . A . 1 GLN CA . . . . . . . . . rr_1dn3 1 . 1 . 3 . 1 1 1 GLN CB C 8.488 -6.484 2.441 . . . 1.0 . . . . . . . . . . . . A . 1 GLN CB . . . . . . . . . rr_1dn3 1 . 1 . 4 . 1 1 1 GLN CD C 7.195 -7.012 0.367 . . . 1.0 . . . . . . . . . . . . A . 1 GLN CD . . . . . . . . . rr_1dn3 1 . 1 . 5 . 1 1 1 GLN CG C 7.936 -5.913 1.132 . . . 1.0 . . . . . . . . . . . . A . 1 GLN CG . . . . . . . . . rr_1dn3 1 . 1 . 6 . 1 1 1 GLN H1 H 10.619 -6.265 3.775 . . . 1.0 . . . . . . . . . . . . A . 1 GLN H1 . . . . . . . . . rr_1dn3 1 . 1 . 7 . 1 1 1 GLN H2 H 9.428 -6.628 4.931 . . . 1.0 . . . . . . . . . . . . A . 1 GLN H2 . . . . . . . . . rr_1dn3 1 . 1 . 8 . 1 1 1 GLN H3 H 10.191 -5.111 4.941 . . . 1.0 . . . . . . . . . . . . A . 1 GLN H3 . . . . . . . . . rr_1dn3 1 . 1 . 9 . 1 1 1 GLN HA H 9.150 -4.481 2.884 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HA . . . . . . . . . rr_1dn3 1 . 1 . 10 . 1 1 1 GLN HB2 H 9.400 -7.026 2.240 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HB2 . . . . . . . . . rr_1dn3 1 . 1 . 11 . 1 1 1 GLN HB3 H 7.759 -7.153 2.875 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HB3 . . . . . . . . . rr_1dn3 1 . 1 . 12 . 1 1 1 GLN HE21 H 8.345 -6.870 -1.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HE21 . . . . . . . . . rr_1dn3 1 . 1 . 13 . 1 1 1 GLN HE22 H 7.113 -8.035 -1.333 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HE22 . . . . . . . . . rr_1dn3 1 . 1 . 14 . 1 1 1 GLN HG2 H 7.254 -5.104 1.351 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HG2 . . . . . . . . . rr_1dn3 1 . 1 . 15 . 1 1 1 GLN HG3 H 8.751 -5.543 0.528 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HG3 . . . . . . . . . rr_1dn3 1 . 1 . 16 . 1 1 1 GLN N N 9.834 -5.877 4.336 . . . 1.0 . . . . . . . . . . . . A . 1 GLN N . . . . . . . . . rr_1dn3 1 . 1 . 17 . 1 1 1 GLN NE2 N 7.583 -7.332 -0.838 . . . 1.0 . . . . . . . . . . . . A . 1 GLN NE2 . . . . . . . . . rr_1dn3 1 . 1 . 18 . 1 1 1 GLN O O 6.416 -5.361 3.885 . . . 1.0 . . . . . . . . . . . . A . 1 GLN O . . . . . . . . . rr_1dn3 1 . 1 . 19 . 1 1 1 GLN OE1 O 6.251 -7.587 0.871 . . . 1.0 . . . . . . . . . . . . A . 1 GLN OE1 . . . . . . . . . rr_1dn3 1 . 1 . 20 . 1 1 2 ALA C C 5.613 -2.776 5.390 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . rr_1dn3 1 . 1 . 21 . 1 1 2 ALA CA C 6.494 -3.806 6.109 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . rr_1dn3 1 . 1 . 22 . 1 1 2 ALA CB C 7.065 -3.192 7.380 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . rr_1dn3 1 . 1 . 23 . 1 1 2 ALA H H 8.572 -3.903 5.532 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . rr_1dn3 1 . 1 . 24 . 1 1 2 ALA HA H 5.909 -4.676 6.362 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . rr_1dn3 1 . 1 . 25 . 1 1 2 ALA HB1 H 6.386 -3.378 8.199 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . rr_1dn3 1 . 1 . 26 . 1 1 2 ALA HB2 H 7.178 -2.127 7.242 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . rr_1dn3 1 . 1 . 27 . 1 1 2 ALA HB3 H 8.023 -3.635 7.596 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . rr_1dn3 1 . 1 . 28 . 1 1 2 ALA N N 7.675 -4.207 5.280 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . rr_1dn3 1 . 1 . 29 . 1 1 2 ALA O O 4.412 -2.940 5.360 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . rr_1dn3 1 . 1 . 30 . 1 1 3 PRO C C 4.608 -1.280 2.976 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_1dn3 1 . 1 . 31 . 1 1 3 PRO CA C 5.426 -0.692 4.130 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_1dn3 1 . 1 . 32 . 1 1 3 PRO CB C 6.473 0.313 3.660 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_1dn3 1 . 1 . 33 . 1 1 3 PRO CD C 7.655 -1.437 4.766 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_1dn3 1 . 1 . 34 . 1 1 3 PRO CG C 7.737 -0.469 3.616 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_1dn3 1 . 1 . 35 . 1 1 3 PRO HA H 4.765 -0.215 4.832 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_1dn3 1 . 1 . 36 . 1 1 3 PRO HB2 H 6.221 0.687 2.677 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_1dn3 1 . 1 . 37 . 1 1 3 PRO HB3 H 6.563 1.125 4.364 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_1dn3 1 . 1 . 38 . 1 1 3 PRO HD2 H 8.230 -2.321 4.550 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_1dn3 1 . 1 . 39 . 1 1 3 PRO HD3 H 7.984 -0.975 5.683 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_1dn3 1 . 1 . 40 . 1 1 3 PRO HG2 H 7.811 -1.001 2.679 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_1dn3 1 . 1 . 41 . 1 1 3 PRO HG3 H 8.583 0.183 3.748 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_1dn3 1 . 1 . 42 . 1 1 3 PRO N N 6.219 -1.738 4.831 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_1dn3 1 . 1 . 43 . 1 1 3 PRO O O 3.737 -0.626 2.441 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_1dn3 1 . 1 . 44 . 1 1 4 ALA C C 2.539 -3.140 2.037 . . . 1.0 . . . . . . . . . . . . A . 4 ALA C . . . . . . . . . rr_1dn3 1 . 1 . 45 . 1 1 4 ALA CA C 3.998 -3.138 1.556 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CA . . . . . . . . . rr_1dn3 1 . 1 . 46 . 1 1 4 ALA CB C 4.519 -4.566 1.398 . . . 1.0 . . . . . . . . . . . . A . 4 ALA CB . . . . . . . . . rr_1dn3 1 . 1 . 47 . 1 1 4 ALA H H 5.505 -3.055 3.086 . . . 1.0 . . . . . . . . . . . . A . 4 ALA H . . . . . . . . . rr_1dn3 1 . 1 . 48 . 1 1 4 ALA HA H 4.098 -2.592 0.633 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HA . . . . . . . . . rr_1dn3 1 . 1 . 49 . 1 1 4 ALA HB1 H 5.495 -4.544 0.940 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB1 . . . . . . . . . rr_1dn3 1 . 1 . 50 . 1 1 4 ALA HB2 H 3.840 -5.129 0.774 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB2 . . . . . . . . . rr_1dn3 1 . 1 . 51 . 1 1 4 ALA HB3 H 4.586 -5.034 2.369 . . . 1.0 . . . . . . . . . . . . A . 4 ALA HB3 . . . . . . . . . rr_1dn3 1 . 1 . 52 . 1 1 4 ALA N N 4.830 -2.522 2.623 . . . 1.0 . . . . . . . . . . . . A . 4 ALA N . . . . . . . . . rr_1dn3 1 . 1 . 53 . 1 1 4 ALA O O 1.614 -3.054 1.252 . . . 1.0 . . . . . . . . . . . . A . 4 ALA O . . . . . . . . . rr_1dn3 1 . 1 . 54 . 1 1 5 TYR C C 0.318 -1.828 3.680 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_1dn3 1 . 1 . 55 . 1 1 5 TYR CA C 0.962 -3.201 3.911 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_1dn3 1 . 1 . 56 . 1 1 5 TYR CB C 1.137 -3.513 5.418 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_1dn3 1 . 1 . 57 . 1 1 5 TYR CD1 C -0.209 -1.652 6.492 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_1dn3 1 . 1 . 58 . 1 1 5 TYR CD2 C 2.189 -1.702 6.841 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_1dn3 1 . 1 . 59 . 1 1 5 TYR CE1 C -0.296 -0.497 7.278 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_1dn3 1 . 1 . 60 . 1 1 5 TYR CE2 C 2.101 -0.548 7.625 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_1dn3 1 . 1 . 61 . 1 1 5 TYR CG C 1.036 -2.257 6.271 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_1dn3 1 . 1 . 62 . 1 1 5 TYR CZ C 0.859 0.056 7.844 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_1dn3 1 . 1 . 63 . 1 1 5 TYR H H 3.112 -3.269 3.946 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_1dn3 1 . 1 . 64 . 1 1 5 TYR HA H 0.369 -3.966 3.450 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_1dn3 1 . 1 . 65 . 1 1 5 TYR HB2 H 0.372 -4.207 5.726 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_1dn3 1 . 1 . 66 . 1 1 5 TYR HB3 H 2.106 -3.967 5.573 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_1dn3 1 . 1 . 67 . 1 1 5 TYR HD1 H -1.100 -2.076 6.054 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_1dn3 1 . 1 . 68 . 1 1 5 TYR HD2 H 3.146 -2.166 6.678 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_1dn3 1 . 1 . 69 . 1 1 5 TYR HE1 H -1.254 -0.032 7.445 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_1dn3 1 . 1 . 70 . 1 1 5 TYR HE2 H 2.995 -0.123 8.059 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_1dn3 1 . 1 . 71 . 1 1 5 TYR HH H 0.352 0.957 9.452 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_1dn3 1 . 1 . 72 . 1 1 5 TYR N N 2.342 -3.216 3.341 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_1dn3 1 . 1 . 73 . 1 1 5 TYR O O -0.855 -1.727 3.370 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_1dn3 1 . 1 . 74 . 1 1 5 TYR OH O 0.771 1.195 8.620 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_1dn3 1 . 1 . 75 . 1 1 6 LYS C C 0.535 0.962 2.130 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_1dn3 1 . 1 . 76 . 1 1 6 LYS CA C 0.518 0.596 3.621 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_1dn3 1 . 1 . 77 . 1 1 6 LYS CB C 1.403 1.554 4.441 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_1dn3 1 . 1 . 78 . 1 1 6 LYS CD C 3.724 2.478 4.724 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_1dn3 1 . 1 . 79 . 1 1 6 LYS CE C 3.815 2.172 6.224 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_1dn3 1 . 1 . 80 . 1 1 6 LYS CG C 2.873 1.414 4.027 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_1dn3 1 . 1 . 81 . 1 1 6 LYS H H 2.026 -0.888 4.076 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_1dn3 1 . 1 . 82 . 1 1 6 LYS HA H -0.493 0.628 3.993 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_1dn3 1 . 1 . 83 . 1 1 6 LYS HB2 H 1.079 2.570 4.272 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_1dn3 1 . 1 . 84 . 1 1 6 LYS HB3 H 1.304 1.319 5.491 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_1dn3 1 . 1 . 85 . 1 1 6 LYS HD2 H 4.717 2.474 4.297 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_1dn3 1 . 1 . 86 . 1 1 6 LYS HD3 H 3.275 3.447 4.582 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_1dn3 1 . 1 . 87 . 1 1 6 LYS HE2 H 2.868 2.377 6.706 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_1dn3 1 . 1 . 88 . 1 1 6 LYS HE3 H 4.103 1.144 6.381 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_1dn3 1 . 1 . 89 . 1 1 6 LYS HG2 H 3.229 0.436 4.306 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_1dn3 1 . 1 . 90 . 1 1 6 LYS HG3 H 2.957 1.535 2.958 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_1dn3 1 . 1 . 91 . 1 1 6 LYS HZ1 H 4.797 3.154 7.780 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_1dn3 1 . 1 . 92 . 1 1 6 LYS HZ2 H 4.760 4.032 6.326 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_1dn3 1 . 1 . 93 . 1 1 6 LYS HZ3 H 5.812 2.709 6.496 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_1dn3 1 . 1 . 94 . 1 1 6 LYS N N 1.082 -0.774 3.829 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_1dn3 1 . 1 . 95 . 1 1 6 LYS NZ N 4.876 3.086 6.745 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_1dn3 1 . 1 . 96 . 1 1 6 LYS O O -0.280 1.739 1.671 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_1dn3 1 . 1 . 97 . 1 1 7 LYS C C 0.255 0.119 -0.781 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1dn3 1 . 1 . 98 . 1 1 7 LYS CA C 1.494 0.702 -0.094 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1dn3 1 . 1 . 99 . 1 1 7 LYS CB C 2.767 0.021 -0.608 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1dn3 1 . 1 . 100 . 1 1 7 LYS CD C 3.896 1.117 -2.551 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1dn3 1 . 1 . 101 . 1 1 7 LYS CE C 4.815 -0.015 -3.023 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1dn3 1 . 1 . 102 . 1 1 7 LYS CG C 3.787 1.084 -1.025 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1dn3 1 . 1 . 103 . 1 1 7 LYS H H 2.084 -0.235 1.758 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1dn3 1 . 1 . 104 . 1 1 7 LYS HA H 1.550 1.767 -0.256 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1dn3 1 . 1 . 105 . 1 1 7 LYS HB2 H 3.188 -0.595 0.174 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1dn3 1 . 1 . 106 . 1 1 7 LYS HB3 H 2.525 -0.597 -1.459 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1dn3 1 . 1 . 107 . 1 1 7 LYS HD2 H 2.914 0.990 -2.984 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1dn3 1 . 1 . 108 . 1 1 7 LYS HD3 H 4.307 2.065 -2.861 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1dn3 1 . 1 . 109 . 1 1 7 LYS HE2 H 5.632 -0.148 -2.327 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1dn3 1 . 1 . 110 . 1 1 7 LYS HE3 H 4.257 -0.933 -3.129 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1dn3 1 . 1 . 111 . 1 1 7 LYS HG2 H 3.467 2.051 -0.665 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1dn3 1 . 1 . 112 . 1 1 7 LYS HG3 H 4.750 0.844 -0.601 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1dn3 1 . 1 . 113 . 1 1 7 LYS HZ1 H 5.953 -0.307 -4.743 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1dn3 1 . 1 . 114 . 1 1 7 LYS HZ2 H 5.865 1.313 -4.241 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1dn3 1 . 1 . 115 . 1 1 7 LYS HZ3 H 4.532 0.581 -5.000 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1dn3 1 . 1 . 116 . 1 1 7 LYS N N 1.443 0.397 1.369 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1dn3 1 . 1 . 117 . 1 1 7 LYS NZ N 5.329 0.427 -4.352 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1dn3 1 . 1 . 118 . 1 1 7 LYS O O -0.407 0.785 -1.555 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1dn3 1 . 1 . 119 . 1 1 8 ALA C C -2.541 -0.980 -0.715 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1dn3 1 . 1 . 120 . 1 1 8 ALA CA C -1.275 -1.758 -1.102 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1dn3 1 . 1 . 121 . 1 1 8 ALA CB C -1.317 -3.174 -0.518 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1dn3 1 . 1 . 122 . 1 1 8 ALA H H 0.481 -1.626 0.149 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1dn3 1 . 1 . 123 . 1 1 8 ALA HA H -1.173 -1.804 -2.175 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1dn3 1 . 1 . 124 . 1 1 8 ALA HB1 H -0.604 -3.798 -1.034 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1dn3 1 . 1 . 125 . 1 1 8 ALA HB2 H -2.309 -3.583 -0.639 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1dn3 1 . 1 . 126 . 1 1 8 ALA HB3 H -1.069 -3.137 0.534 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1dn3 1 . 1 . 127 . 1 1 8 ALA N N -0.069 -1.119 -0.487 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1dn3 1 . 1 . 128 . 1 1 8 ALA O O -3.375 -0.683 -1.551 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1dn3 1 . 1 . 129 . 1 1 9 ALA C C -3.968 1.463 0.260 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_1dn3 1 . 1 . 130 . 1 1 9 ALA CA C -3.884 0.123 1.001 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_1dn3 1 . 1 . 131 . 1 1 9 ALA CB C -3.675 0.351 2.499 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_1dn3 1 . 1 . 132 . 1 1 9 ALA H H -1.989 -0.893 1.196 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_1dn3 1 . 1 . 133 . 1 1 9 ALA HA H -4.780 -0.453 0.838 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_1dn3 1 . 1 . 134 . 1 1 9 ALA HB1 H -3.685 -0.598 3.014 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_1dn3 1 . 1 . 135 . 1 1 9 ALA HB2 H -4.468 0.977 2.882 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_1dn3 1 . 1 . 136 . 1 1 9 ALA HB3 H -2.724 0.838 2.661 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_1dn3 1 . 1 . 137 . 1 1 9 ALA N N -2.681 -0.644 0.547 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_1dn3 1 . 1 . 138 . 1 1 9 ALA O O -5.031 1.886 -0.150 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_1dn3 1 . 1 . 139 . 1 1 10 LYS C C -3.318 3.247 -2.083 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1dn3 1 . 1 . 140 . 1 1 10 LYS CA C -2.854 3.439 -0.636 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1dn3 1 . 1 . 141 . 1 1 10 LYS CB C -1.404 3.928 -0.596 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1dn3 1 . 1 . 142 . 1 1 10 LYS CD C 0.273 5.175 0.769 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1dn3 1 . 1 . 143 . 1 1 10 LYS CE C 0.447 6.259 1.838 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1dn3 1 . 1 . 144 . 1 1 10 LYS CG C -1.214 4.856 0.603 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1dn3 1 . 1 . 145 . 1 1 10 LYS H H -2.006 1.761 0.424 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1dn3 1 . 1 . 146 . 1 1 10 LYS HA H -3.494 4.143 -0.128 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1dn3 1 . 1 . 147 . 1 1 10 LYS HB2 H -0.740 3.080 -0.506 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1dn3 1 . 1 . 148 . 1 1 10 LYS HB3 H -1.180 4.466 -1.505 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1dn3 1 . 1 . 149 . 1 1 10 LYS HD2 H 0.800 4.281 1.072 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1dn3 1 . 1 . 150 . 1 1 10 LYS HD3 H 0.674 5.529 -0.169 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1dn3 1 . 1 . 151 . 1 1 10 LYS HE2 H -0.345 6.189 2.571 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1dn3 1 . 1 . 152 . 1 1 10 LYS HE3 H 1.410 6.164 2.314 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1dn3 1 . 1 . 153 . 1 1 10 LYS HG2 H -1.765 5.771 0.440 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1dn3 1 . 1 . 154 . 1 1 10 LYS HG3 H -1.578 4.370 1.496 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1dn3 1 . 1 . 155 . 1 1 10 LYS HZ1 H 1.122 7.597 0.388 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_1dn3 1 . 1 . 156 . 1 1 10 LYS HZ2 H 0.475 8.342 1.771 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_1dn3 1 . 1 . 157 . 1 1 10 LYS HZ3 H -0.558 7.628 0.625 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1dn3 1 . 1 . 158 . 1 1 10 LYS N N -2.850 2.127 0.084 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1dn3 1 . 1 . 159 . 1 1 10 LYS NZ N 0.365 7.553 1.100 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1dn3 1 . 1 . 160 . 1 1 10 LYS O O -4.156 3.978 -2.571 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1dn3 1 . 1 . 161 . 1 1 11 LYS C C -4.718 1.788 -4.253 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1dn3 1 . 1 . 162 . 1 1 11 LYS CA C -3.203 2.015 -4.185 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1dn3 1 . 1 . 163 . 1 1 11 LYS CB C -2.445 0.758 -4.621 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1dn3 1 . 1 . 164 . 1 1 11 LYS CD C -1.166 1.816 -6.499 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1dn3 1 . 1 . 165 . 1 1 11 LYS CE C 0.158 1.665 -7.258 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1dn3 1 . 1 . 166 . 1 1 11 LYS CG C -1.051 1.149 -5.124 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1dn3 1 . 1 . 167 . 1 1 11 LYS H H -2.114 1.682 -2.347 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1dn3 1 . 1 . 168 . 1 1 11 LYS HA H -2.922 2.850 -4.808 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1dn3 1 . 1 . 169 . 1 1 11 LYS HB2 H -2.350 0.085 -3.781 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1dn3 1 . 1 . 170 . 1 1 11 LYS HB3 H -2.987 0.267 -5.415 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1dn3 1 . 1 . 171 . 1 1 11 LYS HD2 H -1.961 1.346 -7.061 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1dn3 1 . 1 . 172 . 1 1 11 LYS HD3 H -1.388 2.865 -6.371 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1dn3 1 . 1 . 173 . 1 1 11 LYS HE2 H 0.983 1.990 -6.639 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1dn3 1 . 1 . 174 . 1 1 11 LYS HE3 H 0.299 0.640 -7.566 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1dn3 1 . 1 . 175 . 1 1 11 LYS HG2 H -0.598 1.838 -4.425 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1dn3 1 . 1 . 176 . 1 1 11 LYS HG3 H -0.438 0.264 -5.205 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1dn3 1 . 1 . 177 . 1 1 11 LYS HZ1 H 0.922 2.550 -8.983 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1dn3 1 . 1 . 178 . 1 1 11 LYS HZ2 H -0.203 3.515 -8.152 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1dn3 1 . 1 . 179 . 1 1 11 LYS HZ3 H -0.732 2.186 -9.070 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1dn3 1 . 1 . 180 . 1 1 11 LYS N N -2.785 2.262 -2.768 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1dn3 1 . 1 . 181 . 1 1 11 LYS NZ N 0.026 2.545 -8.456 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1dn3 1 . 1 . 182 . 1 1 11 LYS O O -5.376 2.230 -5.176 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1dn3 1 . 1 . 183 . 1 1 12 LEU C C -7.484 2.235 -3.151 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_1dn3 1 . 1 . 184 . 1 1 12 LEU CA C -6.757 0.891 -3.264 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_1dn3 1 . 1 . 185 . 1 1 12 LEU CB C -7.030 0.030 -2.030 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_1dn3 1 . 1 . 186 . 1 1 12 LEU CD1 C -6.374 -2.103 -0.916 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_1dn3 1 . 1 . 187 . 1 1 12 LEU CD2 C -7.415 -2.148 -3.188 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_1dn3 1 . 1 . 188 . 1 1 12 LEU CG C -6.477 -1.377 -2.256 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_1dn3 1 . 1 . 189 . 1 1 12 LEU H H -4.728 0.791 -2.527 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_1dn3 1 . 1 . 190 . 1 1 12 LEU HA H -7.061 0.369 -4.157 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_1dn3 1 . 1 . 191 . 1 1 12 LEU HB2 H -6.550 0.473 -1.169 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_1dn3 1 . 1 . 192 . 1 1 12 LEU HB3 H -8.094 -0.027 -1.858 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_1dn3 1 . 1 . 193 . 1 1 12 LEU HD11 H -5.833 -1.486 -0.214 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_1dn3 1 . 1 . 194 . 1 1 12 LEU HD12 H -5.849 -3.037 -1.052 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_1dn3 1 . 1 . 195 . 1 1 12 LEU HD13 H -7.365 -2.298 -0.535 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_1dn3 1 . 1 . 196 . 1 1 12 LEU HD21 H -7.132 -3.189 -3.201 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_1dn3 1 . 1 . 197 . 1 1 12 LEU HD22 H -7.342 -1.742 -4.187 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_1dn3 1 . 1 . 198 . 1 1 12 LEU HD23 H -8.431 -2.054 -2.834 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_1dn3 1 . 1 . 199 . 1 1 12 LEU HG H -5.496 -1.309 -2.705 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_1dn3 1 . 1 . 200 . 1 1 12 LEU N N -5.278 1.123 -3.269 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_1dn3 1 . 1 . 201 . 1 1 12 LEU O O -8.512 2.448 -3.765 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_1dn3 1 . 1 . 202 . 1 1 13 ALA C C -7.275 5.345 -3.480 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1dn3 1 . 1 . 203 . 1 1 13 ALA CA C -7.574 4.490 -2.237 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1dn3 1 . 1 . 204 . 1 1 13 ALA CB C -6.933 5.105 -0.990 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1dn3 1 . 1 . 205 . 1 1 13 ALA H H -6.101 2.949 -1.910 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1dn3 1 . 1 . 206 . 1 1 13 ALA HA H -8.638 4.388 -2.095 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1dn3 1 . 1 . 207 . 1 1 13 ALA HB1 H -5.871 4.906 -0.995 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1dn3 1 . 1 . 208 . 1 1 13 ALA HB2 H -7.376 4.672 -0.106 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1dn3 1 . 1 . 209 . 1 1 13 ALA HB3 H -7.098 6.173 -0.990 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1dn3 1 . 1 . 210 . 1 1 13 ALA N N -6.939 3.146 -2.382 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1dn3 1 . 1 . 211 . 1 1 13 ALA O O -8.027 6.238 -3.821 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1dn3 1 . 1 . 212 . 1 1 14 GLU C C -6.320 5.106 -6.648 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1dn3 1 . 1 . 213 . 1 1 14 GLU CA C -5.831 5.845 -5.389 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1dn3 1 . 1 . 214 . 1 1 14 GLU CB C -4.297 5.928 -5.392 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1dn3 1 . 1 . 215 . 1 1 14 GLU CD C -3.903 8.061 -4.133 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1dn3 1 . 1 . 216 . 1 1 14 GLU CG C -3.793 6.536 -4.078 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1dn3 1 . 1 . 217 . 1 1 14 GLU H H -5.600 4.337 -3.866 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1dn3 1 . 1 . 218 . 1 1 14 GLU HA H -6.254 6.836 -5.344 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1dn3 1 . 1 . 219 . 1 1 14 GLU HB2 H -3.887 4.936 -5.507 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1dn3 1 . 1 . 220 . 1 1 14 GLU HB3 H -3.975 6.546 -6.218 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1dn3 1 . 1 . 221 . 1 1 14 GLU HG2 H -4.385 6.162 -3.257 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1dn3 1 . 1 . 222 . 1 1 14 GLU HG3 H -2.761 6.258 -3.930 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1dn3 1 . 1 . 223 . 1 1 14 GLU N N -6.185 5.066 -4.160 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1dn3 1 . 1 . 224 . 1 1 14 GLU O O -5.784 5.285 -7.726 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1dn3 1 . 1 . 225 . 1 1 14 GLU OE1 O -3.016 8.679 -4.698 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1dn3 1 . 1 . 226 . 1 1 14 GLU OE2 O -4.870 8.584 -3.605 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1dn3 1 . 1 . 227 . 1 1 15 SER C C -8.505 4.482 -8.708 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_1dn3 1 . 1 . 228 . 1 1 15 SER CA C -7.852 3.521 -7.702 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_1dn3 1 . 1 . 229 . 1 1 15 SER CB C -8.894 2.553 -7.135 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_1dn3 1 . 1 . 230 . 1 1 15 SER H H -7.743 4.145 -5.639 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_1dn3 1 . 1 . 231 . 1 1 15 SER HA H -7.055 2.966 -8.172 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_1dn3 1 . 1 . 232 . 1 1 15 SER HB2 H -8.473 2.015 -6.302 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_1dn3 1 . 1 . 233 . 1 1 15 SER HB3 H -9.758 3.112 -6.800 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_1dn3 1 . 1 . 234 . 1 1 15 SER HG H -9.746 2.107 -8.831 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_1dn3 1 . 1 . 235 . 1 1 15 SER N N -7.330 4.275 -6.517 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_1dn3 1 . 1 . 236 . 1 1 15 SER O O -9.220 5.372 -8.273 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_1dn3 1 . 1 . 237 . 1 1 15 SER OXT O -8.281 4.307 -9.896 . . . 1.0 . . . . . . . . . . . . A . 15 SER OXT . . . . . . . . . rr_1dn3 1 . 1 . 238 . 1 1 15 SER OG O -9.277 1.625 -8.145 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_1dn3 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_1dn3 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1dn3.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1dn3 1 1 1dn3.mr . . n/a 2 comment 'Not applicable' 'Not applicable' 0 rr_1dn3 1 1 1dn3.mr . . XPLOR/CNS 3 distance NOE simple 281 rr_1dn3 1 1 1dn3.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1dn3 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1dn3 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1dn3 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 GLN HA H . . . 1 1 1 1 GLN HB3 H . . . . . 3.9 1.8 4.3 . . . . . A . 1 GLN HA . . A . 1 GLN HB3 . . . 1 . HA . . . . . 1 . HB1 . . rr_1dn3 1 2 1 . . 1 1 1 1 GLN HA H . . . 1 1 1 1 GLN HB2 H . . . . . 3.9 1.8 4.3 . . . . . A . 1 GLN HA . . A . 1 GLN HB2 . . . 1 . HA . . . . . 1 . HB2 . . rr_1dn3 1 3 1 OR . 1 1 1 1 GLN HA H . . . 1 1 1 1 GLN HG2 H . . . . . 3.9 1.8 5.3 . . . . . A . 1 GLN HA . . A . 1 GLN HG2 . . . 1 . HA . . . . . 1 . HG# . . rr_1dn3 1 3 2 OR . 1 1 1 1 GLN HA H . . . 1 1 1 1 GLN HG3 H . . . . . 3.9 1.8 5.3 . . . . . A . 1 GLN HA . . A . 1 GLN HG3 . . . 1 . HA . . . . . 1 . HG# . . rr_1dn3 1 4 1 . . 1 1 1 1 GLN HA H . . . 1 1 2 2 ALA H H . . . . . 3.9 1.8 4.3 . . . . . A . 1 GLN HA . . A . 2 ALA H . . . 1 . HA . . . . . 2 . HN . . rr_1dn3 1 5 1 . . 1 1 1 1 GLN HA H . . . 1 1 2 2 ALA MB H . . . . . 6.0 1.8 7.4 . . . . . A . 1 GLN HA . . A . 2 ALA MB . . . 1 . HA . . . . . 2 . HB# . . rr_1dn3 1 6 1 . . 1 1 1 1 GLN HB3 H . . . 1 1 2 2 ALA H H . . . . . 6.0 1.8 6.5 . . . . . A . 1 GLN HB3 . . A . 2 ALA H . . . 1 . HB1 . . . . . 2 . HN . . rr_1dn3 1 7 1 . . 1 1 1 1 GLN HB3 H . . . 1 1 2 2 ALA MB H . . . . . 6.0 1.8 7.4 . . . . . A . 1 GLN HB3 . . A . 2 ALA MB . . . 1 . HB1 . . . . . 2 . HB# . . rr_1dn3 1 8 1 . . 1 1 1 1 GLN HB2 H . . . 1 1 2 2 ALA H H . . . . . 6.0 1.8 6.5 . . . . . A . 1 GLN HB2 . . A . 2 ALA H . . . 1 . HB2 . . . . . 2 . HN . . rr_1dn3 1 9 1 . . 1 1 1 1 GLN HB2 H . . . 1 1 2 2 ALA MB H . . . . . 6.0 1.8 7.4 . . . . . A . 1 GLN HB2 . . A . 2 ALA MB . . . 1 . HB2 . . . . . 2 . HB# . . rr_1dn3 1 10 1 OR . 1 1 2 2 ALA H H . . . 1 1 1 1 GLN HG2 H . . . . . 6.0 1.8 7.5 . . . . . A . 2 ALA H . . A . 1 GLN HG2 . . . 2 . HN . . . . . 1 . HG# . . rr_1dn3 1 10 2 OR . 1 1 1 1 GLN HG3 H . . . 1 1 2 2 ALA H H . . . . . 6.0 1.8 7.5 . . . . . A . 1 GLN HG3 . . A . 2 ALA H . . . 1 . HG# . . . . . 2 . HN . . rr_1dn3 1 11 1 OR . 1 1 2 2 ALA MB H . . . 1 1 1 1 GLN HG2 H . . . . . 6.0 1.8 8.4 . . . . . A . 2 ALA MB . . A . 1 GLN HG2 . . . 2 . HB# . . . . . 1 . HG# . . rr_1dn3 1 11 2 OR . 1 1 1 1 GLN HG3 H . . . 1 1 2 2 ALA MB H . . . . . 6.0 1.8 8.4 . . . . . A . 1 GLN HG3 . . A . 2 ALA MB . . . 1 . HG# . . . . . 2 . HB# . . rr_1dn3 1 12 1 . . 1 1 1 1 GLN HA H . . . 1 1 4 4 ALA MB H . . . . . 6.0 1.8 7.4 . . . . . A . 1 GLN HA . . A . 4 ALA MB . . . 1 . HA . . . . . 4 . HB# . . rr_1dn3 1 13 1 . . 1 1 1 1 GLN HB3 H . . . 1 1 4 4 ALA MB H . . . . . 6.0 1.8 7.4 . . . . . A . 1 GLN HB3 . . A . 4 ALA MB . . . 1 . HB1 . . . . . 4 . HB# . . rr_1dn3 1 14 1 OR . 1 1 4 4 ALA MB H . . . 1 1 1 1 GLN HG2 H . . . . . 6.0 1.8 8.4 . . . . . A . 4 ALA MB . . A . 1 GLN HG2 . . . 4 . HB# . . . . . 1 . HG# . . rr_1dn3 1 14 2 OR . 1 1 1 1 GLN HG3 H . . . 1 1 4 4 ALA MB H . . . . . 6.0 1.8 8.4 . . . . . A . 1 GLN HG3 . . A . 4 ALA MB . . . 1 . HG# . . . . . 4 . HB# . . rr_1dn3 1 15 1 . . 1 1 2 2 ALA H H . . . 1 1 2 2 ALA HA H . . . . . 3.9 1.8 4.3 . . . . . A . 2 ALA H . . A . 2 ALA HA . . . 2 . HN . . . . . 2 . HA . . rr_1dn3 1 16 1 . . 1 1 2 2 ALA H H . . . 1 1 2 2 ALA MB H . . . . . 2.8 1.8 4.1 . . . . . A . 2 ALA H . . A . 2 ALA MB . . . 2 . HN . . . . . 2 . HB# . . rr_1dn3 1 17 1 . . 1 1 2 2 ALA MB H . . . 1 1 2 2 ALA HA H . . . . . 2.8 1.8 4.1 . . . . . A . 2 ALA MB . . A . 2 ALA HA . . . 2 . HB# . . . . . 2 . HA . . rr_1dn3 1 18 1 . . 1 1 2 2 ALA H H . . . 1 1 3 3 PRO HD3 H . . . . . 6.0 1.8 6.5 . . . . . A . 2 ALA H . . A . 3 PRO HD3 . . . 2 . HN . . . . . 3 . HD1 . . rr_1dn3 1 19 1 . . 1 1 2 2 ALA H H . . . 1 1 3 3 PRO HD2 H . . . . . 6.0 1.8 6.5 . . . . . A . 2 ALA H . . A . 3 PRO HD2 . . . 2 . HN . . . . . 3 . HD2 . . rr_1dn3 1 20 1 . . 1 1 2 2 ALA HA H . . . 1 1 3 3 PRO HD3 H . . . . . 6.0 1.8 6.3 . . . . . A . 2 ALA HA . . A . 3 PRO HD3 . . . 2 . HA . . . . . 3 . HD1 . . rr_1dn3 1 21 1 . . 1 1 2 2 ALA HA H . . . 1 1 3 3 PRO HD2 H . . . . . 6.0 1.8 6.4 . . . . . A . 2 ALA HA . . A . 3 PRO HD2 . . . 2 . HA . . . . . 3 . HD2 . . rr_1dn3 1 22 1 . . 1 1 2 2 ALA MB H . . . 1 1 3 3 PRO HD3 H . . . . . 6.0 1.8 7.3 . . . . . A . 2 ALA MB . . A . 3 PRO HD3 . . . 2 . HB# . . . . . 3 . HD1 . . rr_1dn3 1 23 1 . . 1 1 2 2 ALA MB H . . . 1 1 3 3 PRO HD2 H . . . . . 6.0 1.8 7.3 . . . . . A . 2 ALA MB . . A . 3 PRO HD2 . . . 2 . HB# . . . . . 3 . HD2 . . rr_1dn3 1 24 1 . . 1 1 2 2 ALA MB H . . . 1 1 4 4 ALA H H . . . . . 6.0 1.8 7.5 . . . . . A . 2 ALA MB . . A . 4 ALA H . . . 2 . HB# . . . . . 4 . HN . . rr_1dn3 1 25 1 OR . 1 1 2 2 ALA MB H . . . 1 1 5 5 TYR HB2 H . . . . . 6.0 1.8 8.4 . . . . . A . 2 ALA MB . . A . 5 TYR HB2 . . . 2 . HB# . . . . . 5 . HB# . . rr_1dn3 1 25 2 OR . 1 1 2 2 ALA MB H . . . 1 1 5 5 TYR HB3 H . . . . . 6.0 1.8 8.4 . . . . . A . 2 ALA MB . . A . 5 TYR HB3 . . . 2 . HB# . . . . . 5 . HB# . . rr_1dn3 1 26 1 . . 1 1 2 2 ALA MB H . . . 1 1 5 5 TYR QD H . . . . . 6.0 1.8 9.4 . . . . . A . 2 ALA MB . . A . 5 TYR QD . . . 2 . HB# . . . . . 5 . HD* . . rr_1dn3 1 27 1 . . 1 1 2 2 ALA MB H . . . 1 1 5 5 TYR QE H . . . . . 6.0 1.8 9.5 . . . . . A . 2 ALA MB . . A . 5 TYR QE . . . 2 . HB# . . . . . 5 . HE* . . rr_1dn3 1 28 1 . . 1 1 2 2 ALA MB H . . . 1 1 6 6 LYS H H . . . . . 5.0 1.8 6.5 . . . . . A . 2 ALA MB . . A . 6 LYS H . . . 2 . HB# . . . . . 6 . HN . . rr_1dn3 1 29 1 . . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HB3 H . . . . . 2.8 1.8 3.1 . . . . . A . 3 PRO HA . . A . 3 PRO HB3 . . . 3 . HA . . . . . 3 . HB1 . . rr_1dn3 1 30 1 . . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HB2 H . . . . . 2.8 1.8 3.1 . . . . . A . 3 PRO HA . . A . 3 PRO HB2 . . . 3 . HA . . . . . 3 . HB2 . . rr_1dn3 1 31 1 . . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HG3 H . . . . . 3.9 1.8 4.3 . . . . . A . 3 PRO HA . . A . 3 PRO HG3 . . . 3 . HA . . . . . 3 . HG1 . . rr_1dn3 1 32 1 . . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HG2 H . . . . . 5.0 1.8 5.5 . . . . . A . 3 PRO HA . . A . 3 PRO HG2 . . . 3 . HA . . . . . 3 . HG2 . . rr_1dn3 1 33 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 3 3 PRO HA H . . . . . 5.0 1.8 5.5 . . . . . A . 3 PRO HD3 . . A . 3 PRO HA . . . 3 . HD1 . . . . . 3 . HA . . rr_1dn3 1 34 1 . . 1 1 3 3 PRO HD2 H . . . 1 1 3 3 PRO HA H . . . . . 5.0 1.8 5.5 . . . . . A . 3 PRO HD2 . . A . 3 PRO HA . . . 3 . HD2 . . . . . 3 . HA . . rr_1dn3 1 35 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 3 3 PRO HB3 H . . . . . 5.0 1.8 5.5 . . . . . A . 3 PRO HD3 . . A . 3 PRO HB3 . . . 3 . HD1 . . . . . 3 . HB1 . . rr_1dn3 1 36 1 . . 1 1 3 3 PRO HD2 H . . . 1 1 3 3 PRO HB3 H . . . . . 5.0 1.8 5.5 . . . . . A . 3 PRO HD2 . . A . 3 PRO HB3 . . . 3 . HD2 . . . . . 3 . HB1 . . rr_1dn3 1 37 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 3 3 PRO HB2 H . . . . . 5.0 1.8 5.5 . . . . . A . 3 PRO HD3 . . A . 3 PRO HB2 . . . 3 . HD1 . . . . . 3 . HB2 . . rr_1dn3 1 38 1 . . 1 1 3 3 PRO HD2 H . . . 1 1 3 3 PRO HB2 H . . . . . 3.9 1.8 4.3 . . . . . A . 3 PRO HD2 . . A . 3 PRO HB2 . . . 3 . HD2 . . . . . 3 . HB2 . . rr_1dn3 1 39 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 3 3 PRO HG3 H . . . . . 3.9 1.8 4.3 . . . . . A . 3 PRO HD3 . . A . 3 PRO HG3 . . . 3 . HD1 . . . . . 3 . HG1 . . rr_1dn3 1 40 1 . . 1 1 3 3 PRO HD2 H . . . 1 1 3 3 PRO HG3 H . . . . . 3.9 1.8 4.3 . . . . . A . 3 PRO HD2 . . A . 3 PRO HG3 . . . 3 . HD2 . . . . . 3 . HG1 . . rr_1dn3 1 41 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 3 3 PRO HG2 H . . . . . 3.9 1.8 4.3 . . . . . A . 3 PRO HD3 . . A . 3 PRO HG2 . . . 3 . HD1 . . . . . 3 . HG2 . . rr_1dn3 1 42 1 . . 1 1 3 3 PRO HD2 H . . . 1 1 3 3 PRO HG2 H . . . . . 3.9 1.8 4.3 . . . . . A . 3 PRO HD2 . . A . 3 PRO HG2 . . . 3 . HD2 . . . . . 3 . HG2 . . rr_1dn3 1 43 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 3 3 PRO HD2 H . . . . . 2.8 1.8 3.1 . . . . . A . 3 PRO HD3 . . A . 3 PRO HD2 . . . 3 . HD1 . . . . . 3 . HD2 . . rr_1dn3 1 44 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 PRO HA H . . . . . 2.8 1.8 3.1 . . . . . A . 4 ALA H . . A . 3 PRO HA . . . 4 . HN . . . . . 3 . HA . . rr_1dn3 1 45 1 . . 1 1 4 4 ALA MB H . . . 1 1 3 3 PRO HA H . . . . . 6.0 1.8 7.4 . . . . . A . 4 ALA MB . . A . 3 PRO HA . . . 4 . HB# . . . . . 3 . HA . . rr_1dn3 1 46 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 PRO HB3 H . . . . . 6.0 1.8 6.5 . . . . . A . 4 ALA H . . A . 3 PRO HB3 . . . 4 . HN . . . . . 3 . HB1 . . rr_1dn3 1 47 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 PRO HB2 H . . . . . 6.0 1.8 6.4 . . . . . A . 4 ALA H . . A . 3 PRO HB2 . . . 4 . HN . . . . . 3 . HB2 . . rr_1dn3 1 48 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 PRO HG3 H . . . . . 6.0 1.8 6.5 . . . . . A . 4 ALA H . . A . 3 PRO HG3 . . . 4 . HN . . . . . 3 . HG1 . . rr_1dn3 1 49 1 . . 1 1 4 4 ALA H H . . . 1 1 3 3 PRO HG2 H . . . . . 6.0 1.8 6.5 . . . . . A . 4 ALA H . . A . 3 PRO HG2 . . . 4 . HN . . . . . 3 . HG2 . . rr_1dn3 1 50 1 . . 1 1 4 4 ALA MB H . . . 1 1 3 3 PRO HD3 H . . . . . 6.0 1.8 7.5 . . . . . A . 4 ALA MB . . A . 3 PRO HD3 . . . 4 . HB# . . . . . 3 . HD1 . . rr_1dn3 1 51 1 . . 1 1 3 3 PRO HD2 H . . . 1 1 4 4 ALA H H . . . . . 6.0 1.8 6.5 . . . . . A . 3 PRO HD2 . . A . 4 ALA H . . . 3 . HD2 . . . . . 4 . HN . . rr_1dn3 1 52 1 . . 1 1 4 4 ALA MB H . . . 1 1 3 3 PRO HD2 H . . . . . 6.0 1.8 7.5 . . . . . A . 4 ALA MB . . A . 3 PRO HD2 . . . 4 . HB# . . . . . 3 . HD2 . . rr_1dn3 1 53 1 . . 1 1 5 5 TYR QD H . . . 1 1 3 3 PRO HA H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QD . . A . 3 PRO HA . . . 5 . HD* . . . . . 3 . HA . . rr_1dn3 1 54 1 . . 1 1 5 5 TYR QE H . . . 1 1 3 3 PRO HA H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QE . . A . 3 PRO HA . . . 5 . HE* . . . . . 3 . HA . . rr_1dn3 1 55 1 . . 1 1 5 5 TYR QD H . . . 1 1 3 3 PRO HB3 H . . . . . 6.0 1.8 8.4 . . . . . A . 5 TYR QD . . A . 3 PRO HB3 . . . 5 . HD* . . . . . 3 . HB1 . . rr_1dn3 1 56 1 . . 1 1 5 5 TYR QE H . . . 1 1 3 3 PRO HB3 H . . . . . 6.0 1.8 8.4 . . . . . A . 5 TYR QE . . A . 3 PRO HB3 . . . 5 . HE* . . . . . 3 . HB1 . . rr_1dn3 1 57 1 . . 1 1 5 5 TYR QD H . . . 1 1 3 3 PRO HG3 H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QD . . A . 3 PRO HG3 . . . 5 . HD* . . . . . 3 . HG1 . . rr_1dn3 1 58 1 . . 1 1 5 5 TYR QE H . . . 1 1 3 3 PRO HG3 H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QE . . A . 3 PRO HG3 . . . 5 . HE* . . . . . 3 . HG1 . . rr_1dn3 1 59 1 . . 1 1 5 5 TYR QD H . . . 1 1 3 3 PRO HG2 H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QD . . A . 3 PRO HG2 . . . 5 . HD* . . . . . 3 . HG2 . . rr_1dn3 1 60 1 . . 1 1 5 5 TYR QE H . . . 1 1 3 3 PRO HG2 H . . . . . 6.0 1.8 8.4 . . . . . A . 5 TYR QE . . A . 3 PRO HG2 . . . 5 . HE* . . . . . 3 . HG2 . . rr_1dn3 1 61 1 . . 1 1 6 6 LYS H H . . . 1 1 3 3 PRO HA H . . . . . 5.0 0.8 5.5 . . . . . A . 6 LYS H . . A . 3 PRO HA . . . 6 . HN . . . . . 3 . HA . . rr_1dn3 1 62 1 OR . 1 1 3 3 PRO HA H . . . 1 1 6 6 LYS HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HA . . A . 6 LYS HG2 . . . 3 . HA . . . . . 6 . HG# . . rr_1dn3 1 62 2 OR . 1 1 3 3 PRO HA H . . . 1 1 6 6 LYS HG3 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HA . . A . 6 LYS HG3 . . . 3 . HA . . . . . 6 . HG# . . rr_1dn3 1 63 1 OR . 1 1 3 3 PRO HA H . . . 1 1 6 6 LYS HD2 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HA . . A . 6 LYS HD2 . . . 3 . HA . . . . . 6 . HD# . . rr_1dn3 1 63 2 OR . 1 1 3 3 PRO HA H . . . 1 1 6 6 LYS HD3 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HA . . A . 6 LYS HD3 . . . 3 . HA . . . . . 6 . HD# . . rr_1dn3 1 64 1 OR . 1 1 3 3 PRO HA H . . . 1 1 6 6 LYS HE2 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HA . . A . 6 LYS HE2 . . . 3 . HA . . . . . 6 . HE# . . rr_1dn3 1 64 2 OR . 1 1 3 3 PRO HA H . . . 1 1 6 6 LYS HE3 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HA . . A . 6 LYS HE3 . . . 3 . HA . . . . . 6 . HE# . . rr_1dn3 1 65 1 . . 1 1 6 6 LYS H H . . . 1 1 3 3 PRO HB3 H . . . . . 5.0 1.8 5.5 . . . . . A . 6 LYS H . . A . 3 PRO HB3 . . . 6 . HN . . . . . 3 . HB1 . . rr_1dn3 1 66 1 . . 1 1 3 3 PRO HA H . . . 1 1 7 7 LYS H H . . . . . 5.0 1.8 5.5 . . . . . A . 3 PRO HA . . A . 7 LYS H . . . 3 . HA . . . . . 7 . HN . . rr_1dn3 1 67 1 . . 1 1 4 4 ALA H H . . . 1 1 4 4 ALA HA H . . . . . 3.9 1.8 4.3 . . . . . A . 4 ALA H . . A . 4 ALA HA . . . 4 . HN . . . . . 4 . HA . . rr_1dn3 1 68 1 . . 1 1 4 4 ALA MB H . . . 1 1 4 4 ALA H H . . . . . 2.8 1.8 4.1 . . . . . A . 4 ALA MB . . A . 4 ALA H . . . 4 . HB# . . . . . 4 . HN . . rr_1dn3 1 69 1 . . 1 1 4 4 ALA MB H . . . 1 1 4 4 ALA HA H . . . . . 2.8 1.8 4.1 . . . . . A . 4 ALA MB . . A . 4 ALA HA . . . 4 . HB# . . . . . 4 . HA . . rr_1dn3 1 70 1 . . 1 1 4 4 ALA H H . . . 1 1 5 5 TYR H H . . . . . 3.9 1.8 4.3 . . . . . A . 4 ALA H . . A . 5 TYR H . . . 4 . HN . . . . . 5 . HN . . rr_1dn3 1 71 1 . . 1 1 4 4 ALA H H . . . 1 1 5 5 TYR QD H . . . . . 6.0 1.8 8.5 . . . . . A . 4 ALA H . . A . 5 TYR QD . . . 4 . HN . . . . . 5 . HD* . . rr_1dn3 1 72 1 . . 1 1 5 5 TYR QD H . . . 1 1 4 4 ALA HA H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QD . . A . 4 ALA HA . . . 5 . HD* . . . . . 4 . HA . . rr_1dn3 1 73 1 . . 1 1 5 5 TYR QE H . . . 1 1 4 4 ALA HA H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QE . . A . 4 ALA HA . . . 5 . HE* . . . . . 4 . HA . . rr_1dn3 1 74 1 OR . 1 1 4 4 ALA MB H . . . 1 1 5 5 TYR HB2 H . . . . . 6.0 1.8 8.4 . . . . . A . 4 ALA MB . . A . 5 TYR HB2 . . . 4 . HB# . . . . . 5 . HB# . . rr_1dn3 1 74 2 OR . 1 1 4 4 ALA MB H . . . 1 1 5 5 TYR HB3 H . . . . . 6.0 1.8 8.4 . . . . . A . 4 ALA MB . . A . 5 TYR HB3 . . . 4 . HB# . . . . . 5 . HB# . . rr_1dn3 1 75 1 . . 1 1 4 4 ALA MB H . . . 1 1 5 5 TYR QD H . . . . . 6.0 1.8 9.3 . . . . . A . 4 ALA MB . . A . 5 TYR QD . . . 4 . HB# . . . . . 5 . HD* . . rr_1dn3 1 76 1 . . 1 1 4 4 ALA MB H . . . 1 1 5 5 TYR QE H . . . . . 6.0 1.8 9.4 . . . . . A . 4 ALA MB . . A . 5 TYR QE . . . 4 . HB# . . . . . 5 . HE* . . rr_1dn3 1 77 1 . . 1 1 4 4 ALA H H . . . 1 1 6 6 LYS H H . . . . . 5.0 1.8 5.5 . . . . . A . 4 ALA H . . A . 6 LYS H . . . 4 . HN . . . . . 6 . HN . . rr_1dn3 1 78 1 . . 1 1 6 6 LYS H H . . . 1 1 4 4 ALA HA H . . . . . 5.0 1.8 5.5 . . . . . A . 6 LYS H . . A . 4 ALA HA . . . 6 . HN . . . . . 4 . HA . . rr_1dn3 1 79 1 . . 1 1 4 4 ALA MB H . . . 1 1 6 6 LYS H H . . . . . 3.9 1.8 5.3 . . . . . A . 4 ALA MB . . A . 6 LYS H . . . 4 . HB# . . . . . 6 . HN . . rr_1dn3 1 80 1 OR . 1 1 4 4 ALA HA H . . . 1 1 7 7 LYS HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 4 ALA HA . . A . 7 LYS HB2 . . . 4 . HA . . . . . 7 . HB# . . rr_1dn3 1 80 2 OR . 1 1 4 4 ALA HA H . . . 1 1 7 7 LYS HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 4 ALA HA . . A . 7 LYS HB3 . . . 4 . HA . . . . . 7 . HB# . . rr_1dn3 1 81 1 . . 1 1 4 4 ALA HA H . . . 1 1 8 8 ALA H H . . . . . 3.9 1.8 4.3 . . . . . A . 4 ALA HA . . A . 8 ALA H . . . 4 . HA . . . . . 8 . HN . . rr_1dn3 1 82 1 . . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HA H . . . . . 3.9 1.8 4.3 . . . . . A . 5 TYR H . . A . 5 TYR HA . . . 5 . HN . . . . . 5 . HA . . rr_1dn3 1 83 1 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 5 TYR H . . A . 5 TYR HB2 . . . 5 . HN . . . . . 5 . HB# . . rr_1dn3 1 83 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR H H . . . . . 2.8 1.8 4.1 . . . . . A . 5 TYR HB3 . . A . 5 TYR H . . . 5 . HB# . . . . . 5 . HN . . rr_1dn3 1 84 1 . . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR H H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR QD . . A . 5 TYR H . . . 5 . HD* . . . . . 5 . HN . . rr_1dn3 1 85 1 . . 1 1 5 5 TYR QE H . . . 1 1 5 5 TYR H H . . . . . 5.0 1.8 7.5 . . . . . A . 5 TYR QE . . A . 5 TYR H . . . 5 . HE* . . . . . 5 . HN . . rr_1dn3 1 86 1 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 5 TYR HA . . A . 5 TYR HB2 . . . 5 . HA . . . . . 5 . HB# . . rr_1dn3 1 86 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR HA H . . . . . 2.8 1.8 4.1 . . . . . A . 5 TYR HB3 . . A . 5 TYR HA . . . 5 . HB# . . . . . 5 . HA . . rr_1dn3 1 87 1 . . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HA H . . . . . 2.8 1.8 5.1 . . . . . A . 5 TYR QD . . A . 5 TYR HA . . . 5 . HD* . . . . . 5 . HA . . rr_1dn3 1 88 1 . . 1 1 5 5 TYR QE H . . . 1 1 5 5 TYR HA H . . . . . 5.0 1.8 7.5 . . . . . A . 5 TYR QE . . A . 5 TYR HA . . . 5 . HE* . . . . . 5 . HA . . rr_1dn3 1 89 1 OR . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HB2 H . . . . . 2.8 1.8 6.1 . . . . . A . 5 TYR QD . . A . 5 TYR HB2 . . . 5 . HD* . . . . . 5 . HB# . . rr_1dn3 1 89 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR QD H . . . . . 2.8 1.8 6.1 . . . . . A . 5 TYR HB3 . . A . 5 TYR QD . . . 5 . HB# . . . . . 5 . HD* . . rr_1dn3 1 90 1 OR . 1 1 5 5 TYR QE H . . . 1 1 5 5 TYR HB2 H . . . . . 3.9 1.8 7.3 . . . . . A . 5 TYR QE . . A . 5 TYR HB2 . . . 5 . HE* . . . . . 5 . HB# . . rr_1dn3 1 90 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR QE H . . . . . 3.9 1.8 7.3 . . . . . A . 5 TYR HB3 . . A . 5 TYR QE . . . 5 . HB# . . . . . 5 . HE* . . rr_1dn3 1 91 1 . . 1 1 6 6 LYS H H . . . 1 1 5 5 TYR H H . . . . . 3.9 1.8 4.3 . . . . . A . 6 LYS H . . A . 5 TYR H . . . 6 . HN . . . . . 5 . HN . . rr_1dn3 1 92 1 . . 1 1 6 6 LYS H H . . . 1 1 5 5 TYR HA H . . . . . 3.9 1.8 4.3 . . . . . A . 6 LYS H . . A . 5 TYR HA . . . 6 . HN . . . . . 5 . HA . . rr_1dn3 1 93 1 . . 1 1 5 5 TYR HA H . . . 1 1 6 6 LYS HA H . . . . . 3.9 1.8 4.3 . . . . . A . 5 TYR HA . . A . 6 LYS HA . . . 5 . HA . . . . . 6 . HA . . rr_1dn3 1 94 1 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 TYR HB2 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS H . . A . 5 TYR HB2 . . . 6 . HN . . . . . 5 . HB# . . rr_1dn3 1 94 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 6 6 LYS H H . . . . . 3.9 1.8 5.3 . . . . . A . 5 TYR HB3 . . A . 6 LYS H . . . 5 . HB# . . . . . 6 . HN . . rr_1dn3 1 95 1 OR . 1 1 5 5 TYR HB2 H . . . 1 1 6 6 LYS HG2 H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR HB2 . . A . 6 LYS HG2 . . . 5 . HB# . . . . . 6 . HG# . . rr_1dn3 1 95 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 6 6 LYS HG2 H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR HB3 . . A . 6 LYS HG2 . . . 5 . HB# . . . . . 6 . HG# . . rr_1dn3 1 95 3 OR . 1 1 6 6 LYS HG3 H . . . 1 1 5 5 TYR HB2 H . . . . . 3.9 1.8 6.3 . . . . . A . 6 LYS HG3 . . A . 5 TYR HB2 . . . 6 . HG# . . . . . 5 . HB# . . rr_1dn3 1 95 4 OR . 1 1 5 5 TYR HB3 H . . . 1 1 6 6 LYS HG3 H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR HB3 . . A . 6 LYS HG3 . . . 5 . HB# . . . . . 6 . HG# . . rr_1dn3 1 96 1 . . 1 1 5 5 TYR QD H . . . 1 1 6 6 LYS H H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR QD . . A . 6 LYS H . . . 5 . HD* . . . . . 6 . HN . . rr_1dn3 1 97 1 . . 1 1 5 5 TYR QD H . . . 1 1 6 6 LYS HA H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR QD . . A . 6 LYS HA . . . 5 . HD* . . . . . 6 . HA . . rr_1dn3 1 98 1 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 LYS HD2 H . . . . . 5.0 1.8 8.5 . . . . . A . 5 TYR QD . . A . 6 LYS HD2 . . . 5 . HD* . . . . . 6 . HD# . . rr_1dn3 1 98 2 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 LYS HD3 H . . . . . 5.0 1.8 8.5 . . . . . A . 5 TYR QD . . A . 6 LYS HD3 . . . 5 . HD* . . . . . 6 . HD# . . rr_1dn3 1 99 1 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 LYS HG2 H . . . . . 5.0 1.8 8.5 . . . . . A . 5 TYR QD . . A . 6 LYS HG2 . . . 5 . HD* . . . . . 6 . HG# . . rr_1dn3 1 99 2 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 LYS HG3 H . . . . . 5.0 1.8 8.5 . . . . . A . 5 TYR QD . . A . 6 LYS HG3 . . . 5 . HD* . . . . . 6 . HG# . . rr_1dn3 1 100 1 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 LYS HE2 H . . . . . 3.9 1.8 7.3 . . . . . A . 5 TYR QD . . A . 6 LYS HE2 . . . 5 . HD* . . . . . 6 . HE# . . rr_1dn3 1 100 2 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 LYS HE3 H . . . . . 3.9 1.8 7.3 . . . . . A . 5 TYR QD . . A . 6 LYS HE3 . . . 5 . HD* . . . . . 6 . HE# . . rr_1dn3 1 101 1 . . 1 1 5 5 TYR QE H . . . 1 1 6 6 LYS HA H . . . . . 5.0 1.8 7.5 . . . . . A . 5 TYR QE . . A . 6 LYS HA . . . 5 . HE* . . . . . 6 . HA . . rr_1dn3 1 102 1 OR . 1 1 5 5 TYR QE H . . . 1 1 6 6 LYS HG2 H . . . . . 5.0 1.8 8.5 . . . . . A . 5 TYR QE . . A . 6 LYS HG2 . . . 5 . HE* . . . . . 6 . HG# . . rr_1dn3 1 102 2 OR . 1 1 5 5 TYR QE H . . . 1 1 6 6 LYS HG3 H . . . . . 5.0 1.8 8.5 . . . . . A . 5 TYR QE . . A . 6 LYS HG3 . . . 5 . HE* . . . . . 6 . HG# . . rr_1dn3 1 103 1 OR . 1 1 5 5 TYR QE H . . . 1 1 6 6 LYS HD2 H . . . . . 5.0 1.8 8.5 . . . . . A . 5 TYR QE . . A . 6 LYS HD2 . . . 5 . HE* . . . . . 6 . HD# . . rr_1dn3 1 103 2 OR . 1 1 5 5 TYR QE H . . . 1 1 6 6 LYS HD3 H . . . . . 5.0 1.8 8.5 . . . . . A . 5 TYR QE . . A . 6 LYS HD3 . . . 5 . HE* . . . . . 6 . HD# . . rr_1dn3 1 104 1 OR . 1 1 5 5 TYR QE H . . . 1 1 6 6 LYS HE2 H . . . . . 3.9 1.8 7.3 . . . . . A . 5 TYR QE . . A . 6 LYS HE2 . . . 5 . HE* . . . . . 6 . HE# . . rr_1dn3 1 104 2 OR . 1 1 5 5 TYR QE H . . . 1 1 6 6 LYS HE3 H . . . . . 3.9 1.8 7.3 . . . . . A . 5 TYR QE . . A . 6 LYS HE3 . . . 5 . HE* . . . . . 6 . HE# . . rr_1dn3 1 105 1 . . 1 1 7 7 LYS H H . . . 1 1 5 5 TYR HA H . . . . . 5.0 1.8 5.5 . . . . . A . 7 LYS H . . A . 5 TYR HA . . . 7 . HN . . . . . 5 . HA . . rr_1dn3 1 106 1 . . 1 1 5 5 TYR QD H . . . 1 1 7 7 LYS H H . . . . . 5.0 1.8 7.5 . . . . . A . 5 TYR QD . . A . 7 LYS H . . . 5 . HD* . . . . . 7 . HN . . rr_1dn3 1 107 1 . . 1 1 8 8 ALA H H . . . 1 1 5 5 TYR HA H . . . . . 3.9 1.8 4.3 . . . . . A . 8 ALA H . . A . 5 TYR HA . . . 8 . HN . . . . . 5 . HA . . rr_1dn3 1 108 1 . . 1 1 5 5 TYR HA H . . . 1 1 8 8 ALA MB H . . . . . 2.8 1.8 4.1 . . . . . A . 5 TYR HA . . A . 8 ALA MB . . . 5 . HA . . . . . 8 . HB# . . rr_1dn3 1 109 1 OR . 1 1 8 8 ALA H H . . . 1 1 5 5 TYR HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 8 ALA H . . A . 5 TYR HB2 . . . 8 . HN . . . . . 5 . HB# . . rr_1dn3 1 109 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 8 8 ALA H H . . . . . 5.0 1.8 6.5 . . . . . A . 5 TYR HB3 . . A . 8 ALA H . . . 5 . HB# . . . . . 8 . HN . . rr_1dn3 1 110 1 . . 1 1 5 5 TYR QD H . . . 1 1 8 8 ALA H H . . . . . 5.0 1.8 7.5 . . . . . A . 5 TYR QD . . A . 8 ALA H . . . 5 . HD* . . . . . 8 . HN . . rr_1dn3 1 111 1 . . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HA H . . . . . 3.9 1.8 4.3 . . . . . A . 6 LYS H . . A . 6 LYS HA . . . 6 . HN . . . . . 6 . HA . . rr_1dn3 1 112 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB2 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 6 . HN . . . . . 6 . HB# . . rr_1dn3 1 112 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB3 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS H . . A . 6 LYS HB3 . . . 6 . HN . . . . . 6 . HB# . . rr_1dn3 1 113 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG2 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS H . . A . 6 LYS HG2 . . . 6 . HN . . . . . 6 . HG# . . rr_1dn3 1 113 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG3 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS H . . A . 6 LYS HG3 . . . 6 . HN . . . . . 6 . HG# . . rr_1dn3 1 114 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD2 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS H . . A . 6 LYS HD2 . . . 6 . HN . . . . . 6 . HD# . . rr_1dn3 1 114 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD3 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS H . . A . 6 LYS HD3 . . . 6 . HN . . . . . 6 . HD# . . rr_1dn3 1 115 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HE2 H . . . . . 5.0 1.8 6.5 . . . . . A . 6 LYS H . . A . 6 LYS HE2 . . . 6 . HN . . . . . 6 . HE# . . rr_1dn3 1 115 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HE3 H . . . . . 5.0 1.8 6.5 . . . . . A . 6 LYS H . . A . 6 LYS HE3 . . . 6 . HN . . . . . 6 . HE# . . rr_1dn3 1 116 1 OR . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HB2 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS HA . . A . 6 LYS HB2 . . . 6 . HA . . . . . 6 . HB# . . rr_1dn3 1 116 2 OR . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HB3 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS HA . . A . 6 LYS HB3 . . . 6 . HA . . . . . 6 . HB# . . rr_1dn3 1 117 1 OR . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HG2 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS HA . . A . 6 LYS HG2 . . . 6 . HA . . . . . 6 . HG# . . rr_1dn3 1 117 2 OR . 1 1 6 6 LYS HG3 H . . . 1 1 6 6 LYS HA H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS HG3 . . A . 6 LYS HA . . . 6 . HG# . . . . . 6 . HA . . rr_1dn3 1 118 1 OR . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HD2 H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS HA . . A . 6 LYS HD2 . . . 6 . HA . . . . . 6 . HD# . . rr_1dn3 1 118 2 OR . 1 1 6 6 LYS HD3 H . . . 1 1 6 6 LYS HA H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS HD3 . . A . 6 LYS HA . . . 6 . HD# . . . . . 6 . HA . . rr_1dn3 1 119 1 OR . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HE2 H . . . . . 5.0 1.8 6.5 . . . . . A . 6 LYS HA . . A . 6 LYS HE2 . . . 6 . HA . . . . . 6 . HE# . . rr_1dn3 1 119 2 OR . 1 1 6 6 LYS HE3 H . . . 1 1 6 6 LYS HA H . . . . . 5.0 1.8 6.5 . . . . . A . 6 LYS HE3 . . A . 6 LYS HA . . . 6 . HE# . . . . . 6 . HA . . rr_1dn3 1 120 1 . . 1 1 6 6 LYS H H . . . 1 1 7 7 LYS H H . . . . . 3.9 1.8 4.3 . . . . . A . 6 LYS H . . A . 7 LYS H . . . 6 . HN . . . . . 7 . HN . . rr_1dn3 1 121 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 LYS HA H . . . . . 3.9 1.8 4.3 . . . . . A . 7 LYS H . . A . 6 LYS HA . . . 7 . HN . . . . . 6 . HA . . rr_1dn3 1 122 1 OR . 1 1 7 7 LYS H H . . . 1 1 6 6 LYS HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 7 LYS H . . A . 6 LYS HG2 . . . 7 . HN . . . . . 6 . HG# . . rr_1dn3 1 122 2 OR . 1 1 6 6 LYS HG3 H . . . 1 1 7 7 LYS H H . . . . . 5.0 1.8 6.5 . . . . . A . 6 LYS HG3 . . A . 7 LYS H . . . 6 . HG# . . . . . 7 . HN . . rr_1dn3 1 123 1 . . 1 1 6 6 LYS H H . . . 1 1 8 8 ALA H H . . . . . 5.0 1.8 5.5 . . . . . A . 6 LYS H . . A . 8 ALA H . . . 6 . HN . . . . . 8 . HN . . rr_1dn3 1 124 1 . . 1 1 8 8 ALA H H . . . 1 1 6 6 LYS HA H . . . . . 5.0 1.8 5.5 . . . . . A . 8 ALA H . . A . 6 LYS HA . . . 8 . HN . . . . . 6 . HA . . rr_1dn3 1 125 1 . . 1 1 6 6 LYS HA H . . . 1 1 9 9 ALA MB H . . . . . 2.8 1.8 4.1 . . . . . A . 6 LYS HA . . A . 9 ALA MB . . . 6 . HA . . . . . 9 . HB# . . rr_1dn3 1 126 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HA H . . . . . 2.8 1.8 3.1 . . . . . A . 7 LYS H . . A . 7 LYS HA . . . 7 . HN . . . . . 7 . HA . . rr_1dn3 1 127 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 7 LYS H . . A . 7 LYS HB2 . . . 7 . HN . . . . . 7 . HB# . . rr_1dn3 1 127 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 7 LYS H . . A . 7 LYS HB3 . . . 7 . HN . . . . . 7 . HB# . . rr_1dn3 1 128 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG3 H . . . . . 3.9 1.8 4.3 . . . . . A . 7 LYS H . . A . 7 LYS HG3 . . . 7 . HN . . . . . 7 . HG1 . . rr_1dn3 1 129 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG2 H . . . . . 3.9 1.8 4.3 . . . . . A . 7 LYS H . . A . 7 LYS HG2 . . . 7 . HN . . . . . 7 . HG2 . . rr_1dn3 1 130 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HD2 H . . . . . 3.9 1.8 5.3 . . . . . A . 7 LYS H . . A . 7 LYS HD2 . . . 7 . HN . . . . . 7 . HD# . . rr_1dn3 1 130 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HD3 H . . . . . 3.9 1.8 5.3 . . . . . A . 7 LYS H . . A . 7 LYS HD3 . . . 7 . HN . . . . . 7 . HD# . . rr_1dn3 1 131 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HE2 H . . . . . 3.9 1.8 5.3 . . . . . A . 7 LYS H . . A . 7 LYS HE2 . . . 7 . HN . . . . . 7 . HE# . . rr_1dn3 1 131 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HE3 H . . . . . 3.9 1.8 5.3 . . . . . A . 7 LYS H . . A . 7 LYS HE3 . . . 7 . HN . . . . . 7 . HE# . . rr_1dn3 1 132 1 . . 1 1 7 7 LYS H H . . . 1 1 8 8 ALA H H . . . . . 2.8 1.8 3.1 . . . . . A . 7 LYS H . . A . 8 ALA H . . . 7 . HN . . . . . 8 . HN . . rr_1dn3 1 133 1 . . 1 1 8 8 ALA H H . . . 1 1 7 7 LYS HA H . . . . . 3.9 1.8 4.3 . . . . . A . 8 ALA H . . A . 7 LYS HA . . . 8 . HN . . . . . 7 . HA . . rr_1dn3 1 134 1 OR . 1 1 8 8 ALA H H . . . 1 1 7 7 LYS HB2 H . . . . . 3.9 1.8 5.3 . . . . . A . 8 ALA H . . A . 7 LYS HB2 . . . 8 . HN . . . . . 7 . HB# . . rr_1dn3 1 134 2 OR . 1 1 7 7 LYS HB3 H . . . 1 1 8 8 ALA H H . . . . . 3.9 1.8 5.3 . . . . . A . 7 LYS HB3 . . A . 8 ALA H . . . 7 . HB# . . . . . 8 . HN . . rr_1dn3 1 135 1 . . 1 1 7 7 LYS H H . . . 1 1 9 9 ALA H H . . . . . 3.9 1.8 4.3 . . . . . A . 7 LYS H . . A . 9 ALA H . . . 7 . HN . . . . . 9 . HN . . rr_1dn3 1 136 1 . . 1 1 8 8 ALA H H . . . 1 1 8 8 ALA HA H . . . . . 2.8 1.8 3.1 . . . . . A . 8 ALA H . . A . 8 ALA HA . . . 8 . HN . . . . . 8 . HA . . rr_1dn3 1 137 1 . . 1 1 8 8 ALA H H . . . 1 1 8 8 ALA MB H . . . . . 2.8 1.8 4.1 . . . . . A . 8 ALA H . . A . 8 ALA MB . . . 8 . HN . . . . . 8 . HB# . . rr_1dn3 1 138 1 . . 1 1 8 8 ALA MB H . . . 1 1 8 8 ALA HA H . . . . . 2.8 1.8 4.1 . . . . . A . 8 ALA MB . . A . 8 ALA HA . . . 8 . HB# . . . . . 8 . HA . . rr_1dn3 1 139 1 . . 1 1 8 8 ALA H H . . . 1 1 9 9 ALA H H . . . . . 2.8 1.8 3.1 . . . . . A . 8 ALA H . . A . 9 ALA H . . . 8 . HN . . . . . 9 . HN . . rr_1dn3 1 140 1 . . 1 1 8 8 ALA MB H . . . 1 1 9 9 ALA H H . . . . . 2.8 1.8 4.1 . . . . . A . 8 ALA MB . . A . 9 ALA H . . . 8 . HB# . . . . . 9 . HN . . rr_1dn3 1 141 1 . . 1 1 8 8 ALA H H . . . 1 1 10 10 LYS H H . . . . . 5.0 1.8 5.5 . . . . . A . 8 ALA H . . A . 10 LYS H . . . 8 . HN . . . . . 10 . HN . . rr_1dn3 1 142 1 . . 1 1 8 8 ALA HA H . . . 1 1 11 11 LYS H H . . . . . 3.9 1.8 4.3 . . . . . A . 8 ALA HA . . A . 11 LYS H . . . 8 . HA . . . . . 11 . HN . . rr_1dn3 1 143 1 OR . 1 1 8 8 ALA HA H . . . 1 1 11 11 LYS HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 8 ALA HA . . A . 11 LYS HB2 . . . 8 . HA . . . . . 11 . HB# . . rr_1dn3 1 143 2 OR . 1 1 8 8 ALA HA H . . . 1 1 11 11 LYS HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 8 ALA HA . . A . 11 LYS HB3 . . . 8 . HA . . . . . 11 . HB# . . rr_1dn3 1 144 1 . . 1 1 9 9 ALA H H . . . 1 1 9 9 ALA HA H . . . . . 2.8 1.8 3.1 . . . . . A . 9 ALA H . . A . 9 ALA HA . . . 9 . HN . . . . . 9 . HA . . rr_1dn3 1 145 1 . . 1 1 9 9 ALA MB H . . . 1 1 9 9 ALA H H . . . . . 2.8 1.8 4.1 . . . . . A . 9 ALA MB . . A . 9 ALA H . . . 9 . HB# . . . . . 9 . HN . . rr_1dn3 1 146 1 . . 1 1 9 9 ALA MB H . . . 1 1 9 9 ALA HA H . . . . . 2.8 1.8 4.1 . . . . . A . 9 ALA MB . . A . 9 ALA HA . . . 9 . HB# . . . . . 9 . HA . . rr_1dn3 1 147 1 . . 1 1 9 9 ALA H H . . . 1 1 10 10 LYS H H . . . . . 3.9 1.8 4.3 . . . . . A . 9 ALA H . . A . 10 LYS H . . . 9 . HN . . . . . 10 . HN . . rr_1dn3 1 148 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 ALA HA H . . . . . 3.9 1.8 4.3 . . . . . A . 10 LYS H . . A . 9 ALA HA . . . 10 . HN . . . . . 9 . HA . . rr_1dn3 1 149 1 . . 1 1 9 9 ALA HA H . . . 1 1 12 12 LEU H H . . . . . 3.9 1.8 4.3 . . . . . A . 9 ALA HA . . A . 12 LEU H . . . 9 . HA . . . . . 12 . HN . . rr_1dn3 1 150 1 . . 1 1 9 9 ALA HA H . . . 1 1 12 12 LEU HG H . . . . . 3.9 1.8 4.3 . . . . . A . 9 ALA HA . . A . 12 LEU HG . . . 9 . HA . . . . . 12 . HG . . rr_1dn3 1 151 1 OR . 1 1 9 9 ALA HA H . . . 1 1 12 12 LEU MD1 H . . . . . 2.8 1.8 5.5 . . . . . A . 9 ALA HA . . A . 12 LEU MD1 . . . 9 . HA . . . . . 12 . HD* . . rr_1dn3 1 151 2 OR . 1 1 9 9 ALA HA H . . . 1 1 12 12 LEU MD2 H . . . . . 2.8 1.8 5.5 . . . . . A . 9 ALA HA . . A . 12 LEU MD2 . . . 9 . HA . . . . . 12 . HD* . . rr_1dn3 1 152 1 OR . 1 1 9 9 ALA MB H . . . 1 1 12 12 LEU MD1 H . . . . . 2.8 1.8 6.5 . . . . . A . 9 ALA MB . . A . 12 LEU MD1 . . . 9 . HB# . . . . . 12 . HD* . . rr_1dn3 1 152 2 OR . 1 1 9 9 ALA MB H . . . 1 1 12 12 LEU MD2 H . . . . . 2.8 1.8 6.5 . . . . . A . 9 ALA MB . . A . 12 LEU MD2 . . . 9 . HB# . . . . . 12 . HD* . . rr_1dn3 1 153 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HA H . . . . . 2.8 1.8 3.1 . . . . . A . 10 LYS H . . A . 10 LYS HA . . . 10 . HN . . . . . 10 . HA . . rr_1dn3 1 154 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . . . 10 . HN . . . . . 10 . HB# . . rr_1dn3 1 154 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . . . 10 . HN . . . . . 10 . HB# . . rr_1dn3 1 155 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD2 H . . . . . 3.9 1.8 5.3 . . . . . A . 10 LYS H . . A . 10 LYS HD2 . . . 10 . HN . . . . . 10 . HD# . . rr_1dn3 1 155 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD3 H . . . . . 3.9 1.8 5.3 . . . . . A . 10 LYS H . . A . 10 LYS HD3 . . . 10 . HN . . . . . 10 . HD# . . rr_1dn3 1 156 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HE2 H . . . . . 3.9 1.8 5.3 . . . . . A . 10 LYS H . . A . 10 LYS HE2 . . . 10 . HN . . . . . 10 . HE# . . rr_1dn3 1 156 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HE3 H . . . . . 3.9 1.8 5.3 . . . . . A . 10 LYS H . . A . 10 LYS HE3 . . . 10 . HN . . . . . 10 . HE# . . rr_1dn3 1 157 1 . . 1 1 10 10 LYS H H . . . 1 1 11 11 LYS H H . . . . . 2.8 1.8 3.1 . . . . . A . 10 LYS H . . A . 11 LYS H . . . 10 . HN . . . . . 11 . HN . . rr_1dn3 1 158 1 . . 1 1 10 10 LYS HA H . . . 1 1 13 13 ALA H H . . . . . 3.9 1.8 4.3 . . . . . A . 10 LYS HA . . A . 13 ALA H . . . 10 . HA . . . . . 13 . HN . . rr_1dn3 1 159 1 . . 1 1 10 10 LYS HA H . . . 1 1 13 13 ALA MB H . . . . . 2.8 1.8 4.1 . . . . . A . 10 LYS HA . . A . 13 ALA MB . . . 10 . HA . . . . . 13 . HB# . . rr_1dn3 1 160 1 . . 1 1 10 10 LYS HA H . . . 1 1 14 14 GLU H H . . . . . 3.9 1.8 4.3 . . . . . A . 10 LYS HA . . A . 14 GLU H . . . 10 . HA . . . . . 14 . HN . . rr_1dn3 1 161 1 . . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HA H . . . . . 2.8 1.8 3.1 . . . . . A . 11 LYS H . . A . 11 LYS HA . . . 11 . HN . . . . . 11 . HA . . rr_1dn3 1 162 1 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 11 LYS H . . A . 11 LYS HB2 . . . 11 . HN . . . . . 11 . HB# . . rr_1dn3 1 162 2 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 11 LYS H . . A . 11 LYS HB3 . . . 11 . HN . . . . . 11 . HB# . . rr_1dn3 1 163 1 OR . 1 1 11 11 LYS HA H . . . 1 1 11 11 LYS HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 11 LYS HA . . A . 11 LYS HB2 . . . 11 . HA . . . . . 11 . HB# . . rr_1dn3 1 163 2 OR . 1 1 11 11 LYS HB3 H . . . 1 1 11 11 LYS HA H . . . . . 2.8 1.8 4.1 . . . . . A . 11 LYS HB3 . . A . 11 LYS HA . . . 11 . HB# . . . . . 11 . HA . . rr_1dn3 1 164 1 OR . 1 1 11 11 LYS HA H . . . 1 1 11 11 LYS HD2 H . . . . . 2.8 1.8 4.1 . . . . . A . 11 LYS HA . . A . 11 LYS HD2 . . . 11 . HA . . . . . 11 . HD# . . rr_1dn3 1 164 2 OR . 1 1 11 11 LYS HA H . . . 1 1 11 11 LYS HD3 H . . . . . 2.8 1.8 4.1 . . . . . A . 11 LYS HA . . A . 11 LYS HD3 . . . 11 . HA . . . . . 11 . HD# . . rr_1dn3 1 165 1 OR . 1 1 11 11 LYS HA H . . . 1 1 11 11 LYS HE2 H . . . . . 3.9 1.8 5.3 . . . . . A . 11 LYS HA . . A . 11 LYS HE2 . . . 11 . HA . . . . . 11 . HE# . . rr_1dn3 1 165 2 OR . 1 1 11 11 LYS HA H . . . 1 1 11 11 LYS HE3 H . . . . . 3.9 1.8 5.3 . . . . . A . 11 LYS HA . . A . 11 LYS HE3 . . . 11 . HA . . . . . 11 . HE# . . rr_1dn3 1 166 1 . . 1 1 11 11 LYS H H . . . 1 1 12 12 LEU H H . . . . . 3.9 1.8 4.3 . . . . . A . 11 LYS H . . A . 12 LEU H . . . 11 . HN . . . . . 12 . HN . . rr_1dn3 1 167 1 OR . 1 1 11 11 LYS H H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8 7.9 . . . . . A . 11 LYS H . . A . 12 LEU MD1 . . . 11 . HN . . . . . 12 . HD* . . rr_1dn3 1 167 2 OR . 1 1 11 11 LYS H H . . . 1 1 12 12 LEU MD2 H . . . . . 5.0 1.8 7.9 . . . . . A . 11 LYS H . . A . 12 LEU MD2 . . . 11 . HN . . . . . 12 . HD* . . rr_1dn3 1 168 1 . . 1 1 12 12 LEU H H . . . 1 1 11 11 LYS HA H . . . . . 3.9 1.8 4.3 . . . . . A . 12 LEU H . . A . 11 LYS HA . . . 12 . HN . . . . . 11 . HA . . rr_1dn3 1 169 1 OR . 1 1 12 12 LEU H H . . . 1 1 11 11 LYS HB2 H . . . . . 3.9 1.8 5.3 . . . . . A . 12 LEU H . . A . 11 LYS HB2 . . . 12 . HN . . . . . 11 . HB# . . rr_1dn3 1 169 2 OR . 1 1 11 11 LYS HB3 H . . . 1 1 12 12 LEU H H . . . . . 3.9 1.8 5.3 . . . . . A . 11 LYS HB3 . . A . 12 LEU H . . . 11 . HB# . . . . . 12 . HN . . rr_1dn3 1 170 1 OR . 1 1 11 11 LYS HB3 H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8 8.9 . . . . . A . 11 LYS HB3 . . A . 12 LEU MD1 . . . 11 . HB# . . . . . 12 . HD* . . rr_1dn3 1 170 2 OR . 1 1 11 11 LYS HB2 H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8 8.9 . . . . . A . 11 LYS HB2 . . A . 12 LEU MD1 . . . 11 . HB# . . . . . 12 . HD* . . rr_1dn3 1 170 3 OR . 1 1 12 12 LEU MD2 H . . . 1 1 11 11 LYS HB2 H . . . . . 5.0 1.8 8.9 . . . . . A . 12 LEU MD2 . . A . 11 LYS HB2 . . . 12 . HD* . . . . . 11 . HB# . . rr_1dn3 1 170 4 OR . 1 1 11 11 LYS HB3 H . . . 1 1 12 12 LEU MD2 H . . . . . 5.0 1.8 8.9 . . . . . A . 11 LYS HB3 . . A . 12 LEU MD2 . . . 11 . HB# . . . . . 12 . HD* . . rr_1dn3 1 171 1 OR . 1 1 11 11 LYS HA H . . . 1 1 14 14 GLU HB2 H . . . . . 3.9 1.8 5.3 . . . . . A . 11 LYS HA . . A . 14 GLU HB2 . . . 11 . HA . . . . . 14 . HB# . . rr_1dn3 1 171 2 OR . 1 1 11 11 LYS HA H . . . 1 1 14 14 GLU HB3 H . . . . . 3.9 1.8 5.3 . . . . . A . 11 LYS HA . . A . 14 GLU HB3 . . . 11 . HA . . . . . 14 . HB# . . rr_1dn3 1 172 1 . . 1 1 11 11 LYS HA H . . . 1 1 14 14 GLU HG3 H . . . . . 5.0 1.8 5.5 . . . . . A . 11 LYS HA . . A . 14 GLU HG3 . . . 11 . HA . . . . . 14 . HG1 . . rr_1dn3 1 173 1 . . 1 1 11 11 LYS HA H . . . 1 1 14 14 GLU HG2 H . . . . . 3.9 1.8 4.3 . . . . . A . 11 LYS HA . . A . 14 GLU HG2 . . . 11 . HA . . . . . 14 . HG2 . . rr_1dn3 1 174 1 OR . 1 1 14 14 GLU HG3 H . . . 1 1 11 11 LYS HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 14 GLU HG3 . . A . 11 LYS HB2 . . . 14 . HG1 . . . . . 11 . HB# . . rr_1dn3 1 174 2 OR . 1 1 11 11 LYS HB3 H . . . 1 1 14 14 GLU HG3 H . . . . . 5.0 1.8 6.5 . . . . . A . 11 LYS HB3 . . A . 14 GLU HG3 . . . 11 . HB# . . . . . 14 . HG1 . . rr_1dn3 1 175 1 OR . 1 1 14 14 GLU HG3 H . . . 1 1 11 11 LYS HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 14 GLU HG3 . . A . 11 LYS HG2 . . . 14 . HG1 . . . . . 11 . HG# . . rr_1dn3 1 175 2 OR . 1 1 14 14 GLU HG3 H . . . 1 1 11 11 LYS HG3 H . . . . . 5.0 1.8 6.5 . . . . . A . 14 GLU HG3 . . A . 11 LYS HG3 . . . 14 . HG1 . . . . . 11 . HG# . . rr_1dn3 1 176 1 OR . 1 1 14 14 GLU HG3 H . . . 1 1 11 11 LYS HD2 H . . . . . 5.0 1.8 6.5 . . . . . A . 14 GLU HG3 . . A . 11 LYS HD2 . . . 14 . HG1 . . . . . 11 . HD# . . rr_1dn3 1 176 2 OR . 1 1 11 11 LYS HD3 H . . . 1 1 14 14 GLU HG3 H . . . . . 5.0 1.8 6.5 . . . . . A . 11 LYS HD3 . . A . 14 GLU HG3 . . . 11 . HD# . . . . . 14 . HG1 . . rr_1dn3 1 177 1 OR . 1 1 14 14 GLU HG2 H . . . 1 1 11 11 LYS HD2 H . . . . . 5.0 1.8 6.5 . . . . . A . 14 GLU HG2 . . A . 11 LYS HD2 . . . 14 . HG2 . . . . . 11 . HD# . . rr_1dn3 1 177 2 OR . 1 1 11 11 LYS HD3 H . . . 1 1 14 14 GLU HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 11 LYS HD3 . . A . 14 GLU HG2 . . . 11 . HD# . . . . . 14 . HG2 . . rr_1dn3 1 178 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HA H . . . . . 2.8 1.8 3.1 . . . . . A . 12 LEU H . . A . 12 LEU HA . . . 12 . HN . . . . . 12 . HA . . rr_1dn3 1 179 1 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 12 LEU H . . A . 12 LEU HB2 . . . 12 . HN . . . . . 12 . HB# . . rr_1dn3 1 179 2 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 12 LEU H . . A . 12 LEU HB3 . . . 12 . HN . . . . . 12 . HB# . . rr_1dn3 1 180 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HG H . . . . . 3.9 1.8 4.3 . . . . . A . 12 LEU H . . A . 12 LEU HG . . . 12 . HN . . . . . 12 . HG . . rr_1dn3 1 181 1 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU MD1 H . . . . . 3.9 1.8 6.7 . . . . . A . 12 LEU H . . A . 12 LEU MD1 . . . 12 . HN . . . . . 12 . HD* . . rr_1dn3 1 181 2 OR . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU MD2 H . . . . . 3.9 1.8 6.7 . . . . . A . 12 LEU H . . A . 12 LEU MD2 . . . 12 . HN . . . . . 12 . HD* . . rr_1dn3 1 182 1 OR . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 12 LEU HA . . A . 12 LEU HB2 . . . 12 . HA . . . . . 12 . HB# . . rr_1dn3 1 182 2 OR . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 12 LEU HA . . A . 12 LEU HB3 . . . 12 . HA . . . . . 12 . HB# . . rr_1dn3 1 183 1 . . 1 1 12 12 LEU HG H . . . 1 1 12 12 LEU HA H . . . . . 2.8 1.8 3.1 . . . . . A . 12 LEU HG . . A . 12 LEU HA . . . 12 . HG . . . . . 12 . HA . . rr_1dn3 1 184 1 OR . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU MD1 H . . . . . 2.8 1.8 5.5 . . . . . A . 12 LEU HA . . A . 12 LEU MD1 . . . 12 . HA . . . . . 12 . HD* . . rr_1dn3 1 184 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 12 12 LEU HA H . . . . . 2.8 1.8 5.5 . . . . . A . 12 LEU MD2 . . A . 12 LEU HA . . . 12 . HD* . . . . . 12 . HA . . rr_1dn3 1 185 1 OR . 1 1 12 12 LEU HB2 H . . . 1 1 12 12 LEU MD1 H . . . . . 2.8 1.8 6.5 . . . . . A . 12 LEU HB2 . . A . 12 LEU MD1 . . . 12 . HB# . . . . . 12 . HD* . . rr_1dn3 1 185 2 OR . 1 1 12 12 LEU HB3 H . . . 1 1 12 12 LEU MD1 H . . . . . 2.8 1.8 6.5 . . . . . A . 12 LEU HB3 . . A . 12 LEU MD1 . . . 12 . HB# . . . . . 12 . HD* . . rr_1dn3 1 185 3 OR . 1 1 12 12 LEU MD2 H . . . 1 1 12 12 LEU HB2 H . . . . . 2.8 1.8 6.5 . . . . . A . 12 LEU MD2 . . A . 12 LEU HB2 . . . 12 . HD* . . . . . 12 . HB# . . rr_1dn3 1 185 4 OR . 1 1 12 12 LEU MD2 H . . . 1 1 12 12 LEU HB3 H . . . . . 2.8 1.8 6.5 . . . . . A . 12 LEU MD2 . . A . 12 LEU HB3 . . . 12 . HD* . . . . . 12 . HB# . . rr_1dn3 1 186 1 OR . 1 1 12 12 LEU HG H . . . 1 1 12 12 LEU MD1 H . . . . . 2.8 1.8 5.5 . . . . . A . 12 LEU HG . . A . 12 LEU MD1 . . . 12 . HG . . . . . 12 . HD* . . rr_1dn3 1 186 2 OR . 1 1 12 12 LEU HG H . . . 1 1 12 12 LEU MD2 H . . . . . 2.8 1.8 5.5 . . . . . A . 12 LEU HG . . A . 12 LEU MD2 . . . 12 . HG . . . . . 12 . HD* . . rr_1dn3 1 187 1 . . 1 1 13 13 ALA H H . . . 1 1 12 12 LEU HA H . . . . . 3.9 1.8 4.3 . . . . . A . 13 ALA H . . A . 12 LEU HA . . . 13 . HN . . . . . 12 . HA . . rr_1dn3 1 188 1 OR . 1 1 13 13 ALA H H . . . 1 1 12 12 LEU HB2 H . . . . . 3.9 1.8 5.3 . . . . . A . 13 ALA H . . A . 12 LEU HB2 . . . 13 . HN . . . . . 12 . HB# . . rr_1dn3 1 188 2 OR . 1 1 13 13 ALA H H . . . 1 1 12 12 LEU HB3 H . . . . . 3.9 1.8 5.3 . . . . . A . 13 ALA H . . A . 12 LEU HB3 . . . 13 . HN . . . . . 12 . HB# . . rr_1dn3 1 189 1 . . 1 1 12 12 LEU HG H . . . 1 1 13 13 ALA H H . . . . . 3.9 1.8 4.3 . . . . . A . 12 LEU HG . . A . 13 ALA H . . . 12 . HG . . . . . 13 . HN . . rr_1dn3 1 190 1 OR . 1 1 13 13 ALA H H . . . 1 1 12 12 LEU MD1 H . . . . . 3.9 1.8 6.7 . . . . . A . 13 ALA H . . A . 12 LEU MD1 . . . 13 . HN . . . . . 12 . HD* . . rr_1dn3 1 190 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 13 13 ALA H H . . . . . 3.9 1.8 6.7 . . . . . A . 12 LEU MD2 . . A . 13 ALA H . . . 12 . HD* . . . . . 13 . HN . . rr_1dn3 1 191 1 OR . 1 1 14 14 GLU H H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8 7.9 . . . . . A . 14 GLU H . . A . 12 LEU MD1 . . . 14 . HN . . . . . 12 . HD* . . rr_1dn3 1 191 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 14 14 GLU H H . . . . . 5.0 1.8 7.9 . . . . . A . 12 LEU MD2 . . A . 14 GLU H . . . 12 . HD* . . . . . 14 . HN . . rr_1dn3 1 192 1 OR . 1 1 12 12 LEU HA H . . . 1 1 15 15 SER HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 12 LEU HA . . A . 15 SER HB2 . . . 12 . HA . . . . . 15 . HB# . . rr_1dn3 1 192 2 OR . 1 1 12 12 LEU HA H . . . 1 1 15 15 SER HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 12 LEU HA . . A . 15 SER HB3 . . . 12 . HA . . . . . 15 . HB# . . rr_1dn3 1 193 1 OR . 1 1 15 15 SER HA H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8 7.9 . . . . . A . 15 SER HA . . A . 12 LEU MD1 . . . 15 . HA . . . . . 12 . HD* . . rr_1dn3 1 193 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 15 15 SER HA H . . . . . 5.0 1.8 7.9 . . . . . A . 12 LEU MD2 . . A . 15 SER HA . . . 12 . HD* . . . . . 15 . HA . . rr_1dn3 1 194 1 . . 1 1 13 13 ALA H H . . . 1 1 13 13 ALA HA H . . . . . 2.8 1.8 3.1 . . . . . A . 13 ALA H . . A . 13 ALA HA . . . 13 . HN . . . . . 13 . HA . . rr_1dn3 1 195 1 . . 1 1 13 13 ALA H H . . . 1 1 13 13 ALA MB H . . . . . 2.8 1.8 4.1 . . . . . A . 13 ALA H . . A . 13 ALA MB . . . 13 . HN . . . . . 13 . HB# . . rr_1dn3 1 196 1 . . 1 1 13 13 ALA MB H . . . 1 1 13 13 ALA HA H . . . . . 2.8 1.8 4.1 . . . . . A . 13 ALA MB . . A . 13 ALA HA . . . 13 . HB# . . . . . 13 . HA . . rr_1dn3 1 197 1 . . 1 1 13 13 ALA H H . . . 1 1 14 14 GLU H H . . . . . 5.0 1.8 5.5 . . . . . A . 13 ALA H . . A . 14 GLU H . . . 13 . HN . . . . . 14 . HN . . rr_1dn3 1 198 1 . . 1 1 13 13 ALA MB H . . . 1 1 14 14 GLU H H . . . . . 2.8 1.8 4.1 . . . . . A . 13 ALA MB . . A . 14 GLU H . . . 13 . HB# . . . . . 14 . HN . . rr_1dn3 1 199 1 OR . 1 1 13 13 ALA MB H . . . 1 1 14 14 GLU HB2 H . . . . . 3.9 1.8 6.3 . . . . . A . 13 ALA MB . . A . 14 GLU HB2 . . . 13 . HB# . . . . . 14 . HB# . . rr_1dn3 1 199 2 OR . 1 1 13 13 ALA MB H . . . 1 1 14 14 GLU HB3 H . . . . . 3.9 1.8 6.3 . . . . . A . 13 ALA MB . . A . 14 GLU HB3 . . . 13 . HB# . . . . . 14 . HB# . . rr_1dn3 1 200 1 . . 1 1 13 13 ALA MB H . . . 1 1 14 14 GLU HG3 H . . . . . 3.9 1.8 5.3 . . . . . A . 13 ALA MB . . A . 14 GLU HG3 . . . 13 . HB# . . . . . 14 . HG1 . . rr_1dn3 1 201 1 . . 1 1 13 13 ALA MB H . . . 1 1 14 14 GLU HG2 H . . . . . 3.9 1.8 5.3 . . . . . A . 13 ALA MB . . A . 14 GLU HG2 . . . 13 . HB# . . . . . 14 . HG2 . . rr_1dn3 1 202 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HA H . . . . . 3.9 1.8 4.3 . . . . . A . 14 GLU H . . A . 14 GLU HA . . . 14 . HN . . . . . 14 . HA . . rr_1dn3 1 203 1 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 14 GLU H . . A . 14 GLU HB2 . . . 14 . HN . . . . . 14 . HB# . . rr_1dn3 1 203 2 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 14 GLU H . . A . 14 GLU HB3 . . . 14 . HN . . . . . 14 . HB# . . rr_1dn3 1 204 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG3 H . . . . . 3.9 1.8 4.3 . . . . . A . 14 GLU H . . A . 14 GLU HG3 . . . 14 . HN . . . . . 14 . HG1 . . rr_1dn3 1 205 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG2 H . . . . . 3.9 1.8 4.3 . . . . . A . 14 GLU H . . A . 14 GLU HG2 . . . 14 . HN . . . . . 14 . HG2 . . rr_1dn3 1 206 1 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 14 GLU HA . . A . 14 GLU HB2 . . . 14 . HA . . . . . 14 . HB# . . rr_1dn3 1 206 2 OR . 1 1 14 14 GLU HB3 H . . . 1 1 14 14 GLU HA H . . . . . 2.8 1.8 4.1 . . . . . A . 14 GLU HB3 . . A . 14 GLU HA . . . 14 . HB# . . . . . 14 . HA . . rr_1dn3 1 207 1 . . 1 1 14 14 GLU HG3 H . . . 1 1 14 14 GLU HA H . . . . . 3.9 1.8 4.3 . . . . . A . 14 GLU HG3 . . A . 14 GLU HA . . . 14 . HG1 . . . . . 14 . HA . . rr_1dn3 1 208 1 . . 1 1 14 14 GLU HG2 H . . . 1 1 14 14 GLU HA H . . . . . 2.8 1.8 3.1 . . . . . A . 14 GLU HG2 . . A . 14 GLU HA . . . 14 . HG2 . . . . . 14 . HA . . rr_1dn3 1 209 1 . . 1 1 14 14 GLU H H . . . 1 1 15 15 SER H H . . . . . 5.0 1.8 5.5 . . . . . A . 14 GLU H . . A . 15 SER H . . . 14 . HN . . . . . 15 . HN . . rr_1dn3 1 210 1 . . 1 1 14 14 GLU HA H . . . 1 1 15 15 SER H H . . . . . 5.0 1.8 5.5 . . . . . A . 14 GLU HA . . A . 15 SER H . . . 14 . HA . . . . . 15 . HN . . rr_1dn3 1 211 1 OR . 1 1 15 15 SER H H . . . 1 1 14 14 GLU HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 15 SER H . . A . 14 GLU HB2 . . . 15 . HN . . . . . 14 . HB# . . rr_1dn3 1 211 2 OR . 1 1 14 14 GLU HB3 H . . . 1 1 15 15 SER H H . . . . . 5.0 1.8 6.5 . . . . . A . 14 GLU HB3 . . A . 15 SER H . . . 14 . HB# . . . . . 15 . HN . . rr_1dn3 1 212 1 OR . 1 1 15 15 SER HA H . . . 1 1 14 14 GLU HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 15 SER HA . . A . 14 GLU HB2 . . . 15 . HA . . . . . 14 . HB# . . rr_1dn3 1 212 2 OR . 1 1 14 14 GLU HB3 H . . . 1 1 15 15 SER HA H . . . . . 5.0 1.8 6.5 . . . . . A . 14 GLU HB3 . . A . 15 SER HA . . . 14 . HB# . . . . . 15 . HA . . rr_1dn3 1 213 1 . . 1 1 14 14 GLU HG3 H . . . 1 1 15 15 SER H H . . . . . 5.0 1.8 5.5 . . . . . A . 14 GLU HG3 . . A . 15 SER H . . . 14 . HG1 . . . . . 15 . HN . . rr_1dn3 1 214 1 . . 1 1 14 14 GLU HG2 H . . . 1 1 15 15 SER H H . . . . . 5.0 1.8 5.5 . . . . . A . 14 GLU HG2 . . A . 15 SER H . . . 14 . HG2 . . . . . 15 . HN . . rr_1dn3 1 215 1 . . 1 1 15 15 SER HA H . . . 1 1 15 15 SER H H . . . . . 5.0 1.8 5.5 . . . . . A . 15 SER HA . . A . 15 SER H . . . 15 . HA . . . . . 15 . HN . . rr_1dn3 1 216 1 OR . 1 1 15 15 SER H H . . . 1 1 15 15 SER HB2 H . . . . . 3.9 1.8 5.3 . . . . . A . 15 SER H . . A . 15 SER HB2 . . . 15 . HN . . . . . 15 . HB# . . rr_1dn3 1 216 2 OR . 1 1 15 15 SER HB3 H . . . 1 1 15 15 SER H H . . . . . 3.9 1.8 5.3 . . . . . A . 15 SER HB3 . . A . 15 SER H . . . 15 . HB# . . . . . 15 . HN . . rr_1dn3 1 217 1 OR . 1 1 15 15 SER HA H . . . 1 1 15 15 SER HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 15 SER HA . . A . 15 SER HB2 . . . 15 . HA . . . . . 15 . HB# . . rr_1dn3 1 217 2 OR . 1 1 15 15 SER HB3 H . . . 1 1 15 15 SER HA H . . . . . 2.8 1.8 4.1 . . . . . A . 15 SER HB3 . . A . 15 SER HA . . . 15 . HB# . . . . . 15 . HA . . rr_1dn3 1 218 1 . . 1 1 2 2 ALA HA H . . . 1 1 4 4 ALA H H . . . . . 6.0 1.8 6.5 . . . . . A . 2 ALA HA . . A . 4 ALA H . . . 2 . HA . . . . . 4 . HN . . rr_1dn3 1 219 1 . . 1 1 2 2 ALA H H . . . 1 1 5 5 TYR QD H . . . . . 6.0 1.8 8.5 . . . . . A . 2 ALA H . . A . 5 TYR QD . . . 2 . HN . . . . . 5 . HD* . . rr_1dn3 1 220 1 . . 1 1 2 2 ALA HA H . . . 1 1 5 5 TYR QD H . . . . . 6.0 1.8 8.4 . . . . . A . 2 ALA HA . . A . 5 TYR QD . . . 2 . HA . . . . . 5 . HD* . . rr_1dn3 1 221 1 . . 1 1 2 2 ALA HA H . . . 1 1 5 5 TYR QE H . . . . . 6.0 1.8 8.4 . . . . . A . 2 ALA HA . . A . 5 TYR QE . . . 2 . HA . . . . . 5 . HE* . . rr_1dn3 1 222 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 4 4 ALA H H . . . . . 6.0 1.8 6.5 . . . . . A . 3 PRO HD3 . . A . 4 ALA H . . . 3 . HD1 . . . . . 4 . HN . . rr_1dn3 1 223 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 5 5 TYR QD H . . . . . 6.0 1.8 8.5 . . . . . A . 3 PRO HD3 . . A . 5 TYR QD . . . 3 . HD1 . . . . . 5 . HD* . . rr_1dn3 1 224 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 5 5 TYR QE H . . . . . 6.0 1.8 8.5 . . . . . A . 3 PRO HD3 . . A . 5 TYR QE . . . 3 . HD1 . . . . . 5 . HE* . . rr_1dn3 1 225 1 . . 1 1 3 3 PRO HD2 H . . . 1 1 5 5 TYR QD H . . . . . 6.0 1.8 8.5 . . . . . A . 3 PRO HD2 . . A . 5 TYR QD . . . 3 . HD2 . . . . . 5 . HD* . . rr_1dn3 1 226 1 . . 1 1 3 3 PRO HD2 H . . . 1 1 5 5 TYR QE H . . . . . 6.0 1.8 8.4 . . . . . A . 3 PRO HD2 . . A . 5 TYR QE . . . 3 . HD2 . . . . . 5 . HE* . . rr_1dn3 1 227 1 . . 1 1 6 6 LYS H H . . . 1 1 3 3 PRO HG3 H . . . . . 6.0 1.8 6.5 . . . . . A . 6 LYS H . . A . 3 PRO HG3 . . . 6 . HN . . . . . 3 . HG1 . . rr_1dn3 1 228 1 . . 1 1 4 4 ALA H H . . . 1 1 5 5 TYR QE H . . . . . 6.0 1.8 8.5 . . . . . A . 4 ALA H . . A . 5 TYR QE . . . 4 . HN . . . . . 5 . HE* . . rr_1dn3 1 229 1 . . 1 1 5 5 TYR QE H . . . 1 1 6 6 LYS H H . . . . . 3.9 0.8 6.3 . . . . . A . 5 TYR QE . . A . 6 LYS H . . . 5 . HE* . . . . . 6 . HN . . rr_1dn3 1 230 1 . . 1 1 5 5 TYR QE H . . . 1 1 7 7 LYS H H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QE . . A . 7 LYS H . . . 5 . HE* . . . . . 7 . HN . . rr_1dn3 1 231 1 . . 1 1 5 5 TYR HA H . . . 1 1 8 8 ALA HA H . . . . . 6.0 1.8 6.5 . . . . . A . 5 TYR HA . . A . 8 ALA HA . . . 5 . HA . . . . . 8 . HA . . rr_1dn3 1 232 1 . . 1 1 5 5 TYR QE H . . . 1 1 8 8 ALA H H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QE . . A . 8 ALA H . . . 5 . HE* . . . . . 8 . HN . . rr_1dn3 1 233 1 . . 1 1 5 5 TYR QD H . . . 1 1 9 9 ALA H H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QD . . A . 9 ALA H . . . 5 . HD* . . . . . 9 . HN . . rr_1dn3 1 234 1 . . 1 1 5 5 TYR QE H . . . 1 1 9 9 ALA H H . . . . . 6.0 1.8 8.5 . . . . . A . 5 TYR QE . . A . 9 ALA H . . . 5 . HE* . . . . . 9 . HN . . rr_1dn3 1 235 1 . . 1 1 2 2 ALA HA H . . . 1 1 3 3 PRO HB3 H . . . . . 6.0 1.8 6.5 . . . . . A . 2 ALA HA . . A . 3 PRO HB3 . . . 2 . HA . . . . . 3 . HB1 . . rr_1dn3 1 236 1 . . 1 1 2 2 ALA HA H . . . 1 1 3 3 PRO HB2 H . . . . . 6.0 1.8 6.5 . . . . . A . 2 ALA HA . . A . 3 PRO HB2 . . . 2 . HA . . . . . 3 . HB2 . . rr_1dn3 1 237 1 . . 1 1 2 2 ALA HA H . . . 1 1 3 3 PRO HG3 H . . . . . 6.0 1.8 6.4 . . . . . A . 2 ALA HA . . A . 3 PRO HG3 . . . 2 . HA . . . . . 3 . HG1 . . rr_1dn3 1 238 1 . . 1 1 2 2 ALA HA H . . . 1 1 3 3 PRO HG2 H . . . . . 6.0 1.8 6.4 . . . . . A . 2 ALA HA . . A . 3 PRO HG2 . . . 2 . HA . . . . . 3 . HG2 . . rr_1dn3 1 239 1 . . 1 1 2 2 ALA MB H . . . 1 1 3 3 PRO HA H . . . . . 6.0 1.8 7.4 . . . . . A . 2 ALA MB . . A . 3 PRO HA . . . 2 . HB# . . . . . 3 . HA . . rr_1dn3 1 240 1 . . 1 1 2 2 ALA MB H . . . 1 1 4 4 ALA HA H . . . . . 6.0 1.8 7.4 . . . . . A . 2 ALA MB . . A . 4 ALA HA . . . 2 . HB# . . . . . 4 . HA . . rr_1dn3 1 241 1 . . 1 1 2 2 ALA MB H . . . 1 1 5 5 TYR H H . . . . . 6.0 1.8 7.4 . . . . . A . 2 ALA MB . . A . 5 TYR H . . . 2 . HB# . . . . . 5 . HN . . rr_1dn3 1 242 1 . . 1 1 2 2 ALA MB H . . . 1 1 5 5 TYR HA H . . . . . 6.0 1.8 7.4 . . . . . A . 2 ALA MB . . A . 5 TYR HA . . . 2 . HB# . . . . . 5 . HA . . rr_1dn3 1 243 1 . . 1 1 3 3 PRO HA H . . . 1 1 5 5 TYR H H . . . . . 5.0 1.8 5.5 . . . . . A . 3 PRO HA . . A . 5 TYR H . . . 3 . HA . . . . . 5 . HN . . rr_1dn3 1 244 1 OR . 1 1 3 3 PRO HB3 H . . . 1 1 5 5 TYR HB2 H . . . . . 6.0 1.8 7.5 . . . . . A . 3 PRO HB3 . . A . 5 TYR HB2 . . . 3 . HB1 . . . . . 5 . HB# . . rr_1dn3 1 244 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 3 3 PRO HB3 H . . . . . 6.0 1.8 7.5 . . . . . A . 5 TYR HB3 . . A . 3 PRO HB3 . . . 5 . HB# . . . . . 3 . HB1 . . rr_1dn3 1 245 1 OR . 1 1 3 3 PRO HB2 H . . . 1 1 5 5 TYR HB2 H . . . . . 6.0 1.8 7.5 . . . . . A . 3 PRO HB2 . . A . 5 TYR HB2 . . . 3 . HB2 . . . . . 5 . HB# . . rr_1dn3 1 245 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 3 3 PRO HB2 H . . . . . 6.0 1.8 7.5 . . . . . A . 5 TYR HB3 . . A . 3 PRO HB2 . . . 5 . HB# . . . . . 3 . HB2 . . rr_1dn3 1 246 1 . . 1 1 5 5 TYR QD H . . . 1 1 3 3 PRO HB2 H . . . . . 6.0 1.8 8.4 . . . . . A . 5 TYR QD . . A . 3 PRO HB2 . . . 5 . HD* . . . . . 3 . HB2 . . rr_1dn3 1 247 1 . . 1 1 5 5 TYR QE H . . . 1 1 3 3 PRO HB2 H . . . . . 6.0 1.8 8.4 . . . . . A . 5 TYR QE . . A . 3 PRO HB2 . . . 5 . HE* . . . . . 3 . HB2 . . rr_1dn3 1 248 1 OR . 1 1 3 3 PRO HD3 H . . . 1 1 6 6 LYS HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD3 . . A . 6 LYS HG2 . . . 3 . HD1 . . . . . 6 . HG# . . rr_1dn3 1 248 2 OR . 1 1 3 3 PRO HD3 H . . . 1 1 6 6 LYS HG3 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD3 . . A . 6 LYS HG3 . . . 3 . HD1 . . . . . 6 . HG# . . rr_1dn3 1 249 1 OR . 1 1 3 3 PRO HD2 H . . . 1 1 6 6 LYS HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD2 . . A . 6 LYS HG2 . . . 3 . HD2 . . . . . 6 . HG# . . rr_1dn3 1 249 2 OR . 1 1 3 3 PRO HD2 H . . . 1 1 6 6 LYS HG3 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD2 . . A . 6 LYS HG3 . . . 3 . HD2 . . . . . 6 . HG# . . rr_1dn3 1 250 1 OR . 1 1 3 3 PRO HD3 H . . . 1 1 6 6 LYS HD2 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD3 . . A . 6 LYS HD2 . . . 3 . HD1 . . . . . 6 . HD# . . rr_1dn3 1 250 2 OR . 1 1 3 3 PRO HD3 H . . . 1 1 6 6 LYS HD3 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD3 . . A . 6 LYS HD3 . . . 3 . HD1 . . . . . 6 . HD# . . rr_1dn3 1 251 1 OR . 1 1 3 3 PRO HD2 H . . . 1 1 6 6 LYS HD2 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD2 . . A . 6 LYS HD2 . . . 3 . HD2 . . . . . 6 . HD# . . rr_1dn3 1 251 2 OR . 1 1 3 3 PRO HD2 H . . . 1 1 6 6 LYS HD3 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD2 . . A . 6 LYS HD3 . . . 3 . HD2 . . . . . 6 . HD# . . rr_1dn3 1 252 1 OR . 1 1 3 3 PRO HD3 H . . . 1 1 6 6 LYS HE2 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD3 . . A . 6 LYS HE2 . . . 3 . HD1 . . . . . 6 . HE# . . rr_1dn3 1 252 2 OR . 1 1 3 3 PRO HD3 H . . . 1 1 6 6 LYS HE3 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD3 . . A . 6 LYS HE3 . . . 3 . HD1 . . . . . 6 . HE# . . rr_1dn3 1 253 1 OR . 1 1 3 3 PRO HD2 H . . . 1 1 6 6 LYS HE2 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD2 . . A . 6 LYS HE2 . . . 3 . HD2 . . . . . 6 . HE# . . rr_1dn3 1 253 2 OR . 1 1 3 3 PRO HD2 H . . . 1 1 6 6 LYS HE3 H . . . . . 5.0 1.8 6.5 . . . . . A . 3 PRO HD2 . . A . 6 LYS HE3 . . . 3 . HD2 . . . . . 6 . HE# . . rr_1dn3 1 254 1 . . 1 1 4 4 ALA HA H . . . 1 1 5 5 TYR H H . . . . . 3.9 1.8 4.3 . . . . . A . 4 ALA HA . . A . 5 TYR H . . . 4 . HA . . . . . 5 . HN . . rr_1dn3 1 255 1 . . 1 1 4 4 ALA MB H . . . 1 1 5 5 TYR H H . . . . . 6.0 1.8 7.4 . . . . . A . 4 ALA MB . . A . 5 TYR H . . . 4 . HB# . . . . . 5 . HN . . rr_1dn3 1 256 1 . . 1 1 7 7 LYS H H . . . 1 1 4 4 ALA HA H . . . . . 3.9 1.8 4.3 . . . . . A . 7 LYS H . . A . 4 ALA HA . . . 7 . HN . . . . . 4 . HA . . rr_1dn3 1 257 1 OR . 1 1 5 5 TYR HB3 H . . . 1 1 6 6 LYS HB2 H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR HB3 . . A . 6 LYS HB2 . . . 5 . HB# . . . . . 6 . HB# . . rr_1dn3 1 257 2 OR . 1 1 5 5 TYR HB2 H . . . 1 1 6 6 LYS HB2 H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR HB2 . . A . 6 LYS HB2 . . . 5 . HB# . . . . . 6 . HB# . . rr_1dn3 1 257 3 OR . 1 1 6 6 LYS HB3 H . . . 1 1 5 5 TYR HB2 H . . . . . 3.9 1.8 6.3 . . . . . A . 6 LYS HB3 . . A . 5 TYR HB2 . . . 6 . HB# . . . . . 5 . HB# . . rr_1dn3 1 257 4 OR . 1 1 5 5 TYR HB3 H . . . 1 1 6 6 LYS HB3 H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR HB3 . . A . 6 LYS HB3 . . . 5 . HB# . . . . . 6 . HB# . . rr_1dn3 1 258 1 OR . 1 1 5 5 TYR HB3 H . . . 1 1 6 6 LYS HD2 H . . . . . 5.0 1.8 7.5 . . . . . A . 5 TYR HB3 . . A . 6 LYS HD2 . . . 5 . HB# . . . . . 6 . HD# . . rr_1dn3 1 258 2 OR . 1 1 5 5 TYR HB2 H . . . 1 1 6 6 LYS HD2 H . . . . . 5.0 1.8 7.5 . . . . . A . 5 TYR HB2 . . A . 6 LYS HD2 . . . 5 . HB# . . . . . 6 . HD# . . rr_1dn3 1 258 3 OR . 1 1 6 6 LYS HD3 H . . . 1 1 5 5 TYR HB2 H . . . . . 5.0 1.8 7.5 . . . . . A . 6 LYS HD3 . . A . 5 TYR HB2 . . . 6 . HD# . . . . . 5 . HB# . . rr_1dn3 1 258 4 OR . 1 1 5 5 TYR HB3 H . . . 1 1 6 6 LYS HD3 H . . . . . 5.0 1.8 7.5 . . . . . A . 5 TYR HB3 . . A . 6 LYS HD3 . . . 5 . HB# . . . . . 6 . HD# . . rr_1dn3 1 259 1 OR . 1 1 5 5 TYR HB2 H . . . 1 1 6 6 LYS HE2 H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR HB2 . . A . 6 LYS HE2 . . . 5 . HB# . . . . . 6 . HE# . . rr_1dn3 1 259 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 6 6 LYS HE2 H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR HB3 . . A . 6 LYS HE2 . . . 5 . HB# . . . . . 6 . HE# . . rr_1dn3 1 259 3 OR . 1 1 6 6 LYS HE3 H . . . 1 1 5 5 TYR HB2 H . . . . . 3.9 1.8 6.3 . . . . . A . 6 LYS HE3 . . A . 5 TYR HB2 . . . 6 . HE# . . . . . 5 . HB# . . rr_1dn3 1 259 4 OR . 1 1 5 5 TYR HB3 H . . . 1 1 6 6 LYS HE3 H . . . . . 3.9 1.8 6.3 . . . . . A . 5 TYR HB3 . . A . 6 LYS HE3 . . . 5 . HB# . . . . . 6 . HE# . . rr_1dn3 1 260 1 OR . 1 1 7 7 LYS H H . . . 1 1 5 5 TYR HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 7 LYS H . . A . 5 TYR HB2 . . . 7 . HN . . . . . 5 . HB# . . rr_1dn3 1 260 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 7 7 LYS H H . . . . . 5.0 1.8 6.5 . . . . . A . 5 TYR HB3 . . A . 7 LYS H . . . 5 . HB# . . . . . 7 . HN . . rr_1dn3 1 261 1 . . 1 1 5 5 TYR HA H . . . 1 1 9 9 ALA H H . . . . . 5.0 1.8 5.5 . . . . . A . 5 TYR HA . . A . 9 ALA H . . . 5 . HA . . . . . 9 . HN . . rr_1dn3 1 262 1 OR . 1 1 7 7 LYS H H . . . 1 1 6 6 LYS HD2 H . . . . . 3.9 1.8 5.3 . . . . . A . 7 LYS H . . A . 6 LYS HD2 . . . 7 . HN . . . . . 6 . HD# . . rr_1dn3 1 262 2 OR . 1 1 6 6 LYS HD3 H . . . 1 1 7 7 LYS H H . . . . . 3.9 1.8 5.3 . . . . . A . 6 LYS HD3 . . A . 7 LYS H . . . 6 . HD# . . . . . 7 . HN . . rr_1dn3 1 263 1 . . 1 1 6 6 LYS HA H . . . 1 1 9 9 ALA H H . . . . . 3.9 1.8 4.3 . . . . . A . 6 LYS HA . . A . 9 ALA H . . . 6 . HA . . . . . 9 . HN . . rr_1dn3 1 264 1 . . 1 1 6 6 LYS HA H . . . 1 1 10 10 LYS H H . . . . . 5.0 1.8 5.5 . . . . . A . 6 LYS HA . . A . 10 LYS H . . . 6 . HA . . . . . 10 . HN . . rr_1dn3 1 265 1 OR . 1 1 8 8 ALA H H . . . 1 1 7 7 LYS HD2 H . . . . . 3.9 1.8 5.3 . . . . . A . 8 ALA H . . A . 7 LYS HD2 . . . 8 . HN . . . . . 7 . HD# . . rr_1dn3 1 265 2 OR . 1 1 8 8 ALA H H . . . 1 1 7 7 LYS HD3 H . . . . . 3.9 1.8 5.3 . . . . . A . 8 ALA H . . A . 7 LYS HD3 . . . 8 . HN . . . . . 7 . HD# . . rr_1dn3 1 266 1 . . 1 1 8 8 ALA H H . . . 1 1 7 7 LYS HG2 H . . . . . 5.0 1.8 5.5 . . . . . A . 8 ALA H . . A . 7 LYS HG2 . . . 8 . HN . . . . . 7 . HG2 . . rr_1dn3 1 267 1 . . 1 1 9 9 ALA H H . . . 1 1 8 8 ALA HA H . . . . . 3.9 1.8 4.3 . . . . . A . 9 ALA H . . A . 8 ALA HA . . . 9 . HN . . . . . 8 . HA . . rr_1dn3 1 268 1 . . 1 1 8 8 ALA HA H . . . 1 1 10 10 LYS H H . . . . . 5.0 1.8 5.5 . . . . . A . 8 ALA HA . . A . 10 LYS H . . . 8 . HA . . . . . 10 . HN . . rr_1dn3 1 269 1 OR . 1 1 8 8 ALA HA H . . . 1 1 12 12 LEU MD1 H . . . . . 3.9 1.8 6.7 . . . . . A . 8 ALA HA . . A . 12 LEU MD1 . . . 8 . HA . . . . . 12 . HD* . . rr_1dn3 1 269 2 OR . 1 1 8 8 ALA HA H . . . 1 1 12 12 LEU MD2 H . . . . . 3.9 1.8 6.7 . . . . . A . 8 ALA HA . . A . 12 LEU MD2 . . . 8 . HA . . . . . 12 . HD* . . rr_1dn3 1 270 1 OR . 1 1 8 8 ALA H H . . . 1 1 12 12 LEU MD1 H . . . . . 5.0 1.8 7.9 . . . . . A . 8 ALA H . . A . 12 LEU MD1 . . . 8 . HN . . . . . 12 . HD* . . rr_1dn3 1 270 2 OR . 1 1 8 8 ALA H H . . . 1 1 12 12 LEU MD2 H . . . . . 5.0 1.8 7.9 . . . . . A . 8 ALA H . . A . 12 LEU MD2 . . . 8 . HN . . . . . 12 . HD* . . rr_1dn3 1 271 1 . . 1 1 9 9 ALA H H . . . 1 1 11 11 LYS H H . . . . . 5.0 1.8 5.5 . . . . . A . 9 ALA H . . A . 11 LYS H . . . 9 . HN . . . . . 11 . HN . . rr_1dn3 1 272 1 . . 1 1 11 11 LYS H H . . . 1 1 10 10 LYS HA H . . . . . 3.9 1.8 4.3 . . . . . A . 11 LYS H . . A . 10 LYS HA . . . 11 . HN . . . . . 10 . HA . . rr_1dn3 1 273 1 . . 1 1 10 10 LYS H H . . . 1 1 12 12 LEU H H . . . . . 5.0 1.8 5.5 . . . . . A . 10 LYS H . . A . 12 LEU H . . . 10 . HN . . . . . 12 . HN . . rr_1dn3 1 274 1 OR . 1 1 10 10 LYS H H . . . 1 1 12 12 LEU MD1 H . . . . . 3.9 1.8 6.7 . . . . . A . 10 LYS H . . A . 12 LEU MD1 . . . 10 . HN . . . . . 12 . HD* . . rr_1dn3 1 274 2 OR . 1 1 10 10 LYS H H . . . 1 1 12 12 LEU MD2 H . . . . . 3.9 1.8 6.7 . . . . . A . 10 LYS H . . A . 12 LEU MD2 . . . 10 . HN . . . . . 12 . HD* . . rr_1dn3 1 275 1 . . 1 1 11 11 LYS H H . . . 1 1 13 13 ALA H H . . . . . 5.0 1.8 5.5 . . . . . A . 11 LYS H . . A . 13 ALA H . . . 11 . HN . . . . . 13 . HN . . rr_1dn3 1 276 1 OR . 1 1 14 14 GLU HG2 H . . . 1 1 11 11 LYS HB2 H . . . . . 5.0 1.8 6.5 . . . . . A . 14 GLU HG2 . . A . 11 LYS HB2 . . . 14 . HG2 . . . . . 11 . HB# . . rr_1dn3 1 276 2 OR . 1 1 11 11 LYS HB3 H . . . 1 1 14 14 GLU HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 11 LYS HB3 . . A . 14 GLU HG2 . . . 11 . HB# . . . . . 14 . HG2 . . rr_1dn3 1 277 1 OR . 1 1 14 14 GLU HG2 H . . . 1 1 11 11 LYS HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 14 GLU HG2 . . A . 11 LYS HG2 . . . 14 . HG2 . . . . . 11 . HG# . . rr_1dn3 1 277 2 OR . 1 1 14 14 GLU HG2 H . . . 1 1 11 11 LYS HG3 H . . . . . 5.0 1.8 6.5 . . . . . A . 14 GLU HG2 . . A . 11 LYS HG3 . . . 14 . HG2 . . . . . 11 . HG# . . rr_1dn3 1 278 1 . . 1 1 12 12 LEU H H . . . 1 1 13 13 ALA H H . . . . . 3.9 1.8 4.3 . . . . . A . 12 LEU H . . A . 13 ALA H . . . 12 . HN . . . . . 13 . HN . . rr_1dn3 1 279 1 OR . 1 1 13 13 ALA HA H . . . 1 1 12 12 LEU MD1 H . . . . . 3.9 1.8 6.7 . . . . . A . 13 ALA HA . . A . 12 LEU MD1 . . . 13 . HA . . . . . 12 . HD* . . rr_1dn3 1 279 2 OR . 1 1 12 12 LEU MD2 H . . . 1 1 13 13 ALA HA H . . . . . 3.9 1.8 6.7 . . . . . A . 12 LEU MD2 . . A . 13 ALA HA . . . 12 . HD* . . . . . 13 . HA . . rr_1dn3 1 280 1 . . 1 1 12 12 LEU H H . . . 1 1 14 14 GLU H H . . . . . 5.0 1.8 5.5 . . . . . A . 12 LEU H . . A . 14 GLU H . . . 12 . HN . . . . . 14 . HN . . rr_1dn3 1 281 1 . . 1 1 13 13 ALA MB H . . . 1 1 14 14 GLU HA H . . . . . 3.9 1.8 5.3 . . . . . A . 13 ALA MB . . A . 14 GLU HA . . . 13 . HB# . . . . . 14 . HA . . rr_1dn3 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1dn3 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER DE NOVO PROTEIN 16-DEC-99 1DN3 *TITLE NMR STRUCTURE OF A MODEL HYDROPHILIC AMPHIPATHIC HELICAL *TITLE 2 BASIC PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: GLN-ALA-PRO-ALA-TYR-LYS-LYS-ALA-ALA-LYS-LYS-LEU- *COMPND 3 ALA-GLU-SER; *COMPND 4 CHAIN: A; *COMPND 5 FRAGMENT: HUMAN PLATELET FACTOR 4, SEGMENT 59-73; *COMPND 6 MUTATION: YES; *COMPND 7 OTHER_DETAILS: CHEMICALLY SYNTHESIZED *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 OTHER_DETAILS: HUMAN PLATELET FACTOR 4 WITH MUTATIONS *SOURCE 5 (L59A I63A, I64A, L68A) CHEMICALLY SYNTHESIZED *KEYWDS HYDROPHILIC AMPHIPATHIC BASIC HELIX MODEL, DE NOVO PROTEIN *EXPDTA NMR *AUTHOR R.MONTSERRET, M.J.MCLEISH, A.BOCKMANN, C.GEOURJON, F.PENIN *REVDAT 1 12-JAN-00 1DN3 0' save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_framecode MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1dn3 _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; ! ======================================================= ! == Analyse des structures Xplor == ! == IBCP-CNRS UPR 412, Lyon == ! == by C. Geourjon (geourjon@ibcp.fr) == ! == G. Del?age (deleage@ibcp.fr) == ! ======================================================= ; save_