data_Remediated_restraints_file_for_PDB_entry_2ajo # This BMRB archive file contains, for PDB entry 2ajo: # # - 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_2ajo _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 2ajo' _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 2ajo' _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 2ajo 'Master copy' rr_2ajo stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_2ajo _Assembly.ID 1 _Assembly.Name 2ajo _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 3202.8039 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 'Nonstructural protein 5A' 1 $Nonstructural_protein_5A A . no . . . . . . rr_2ajo 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nonstructural_protein_5A _Entity.Sf_category entity _Entity.Sf_framecode Nonstructural_protein_5A _Entity.Entry_ID rr_2ajo _Entity.ID 1 _Entity.Name Nonstructural_protein_5A _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; SGNYVLDLIYSLHKQINRGL KKIVLGWA ; _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 28 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 3202.8039 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 . SER . rr_2ajo 1 2 . GLY . rr_2ajo 1 3 . ASN . rr_2ajo 1 4 . TYR . rr_2ajo 1 5 . VAL . rr_2ajo 1 6 . LEU . rr_2ajo 1 7 . ASP . rr_2ajo 1 8 . LEU . rr_2ajo 1 9 . ILE . rr_2ajo 1 10 . TYR . rr_2ajo 1 11 . SER . rr_2ajo 1 12 . LEU . rr_2ajo 1 13 . HIS . rr_2ajo 1 14 . LYS . rr_2ajo 1 15 . GLN . rr_2ajo 1 16 . ILE . rr_2ajo 1 17 . ASN . rr_2ajo 1 18 . ARG . rr_2ajo 1 19 . GLY . rr_2ajo 1 20 . LEU . rr_2ajo 1 21 . LYS . rr_2ajo 1 22 . LYS . rr_2ajo 1 23 . ILE . rr_2ajo 1 24 . VAL . rr_2ajo 1 25 . LEU . rr_2ajo 1 26 . GLY . rr_2ajo 1 27 . TRP . rr_2ajo 1 28 . ALA . rr_2ajo 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 . SER 1 1 rr_2ajo 1 . GLY 2 2 rr_2ajo 1 . ASN 3 3 rr_2ajo 1 . TYR 4 4 rr_2ajo 1 . VAL 5 5 rr_2ajo 1 . LEU 6 6 rr_2ajo 1 . ASP 7 7 rr_2ajo 1 . LEU 8 8 rr_2ajo 1 . ILE 9 9 rr_2ajo 1 . TYR 10 10 rr_2ajo 1 . SER 11 11 rr_2ajo 1 . LEU 12 12 rr_2ajo 1 . HIS 13 13 rr_2ajo 1 . LYS 14 14 rr_2ajo 1 . GLN 15 15 rr_2ajo 1 . ILE 16 16 rr_2ajo 1 . ASN 17 17 rr_2ajo 1 . ARG 18 18 rr_2ajo 1 . GLY 19 19 rr_2ajo 1 . LEU 20 20 rr_2ajo 1 . LYS 21 21 rr_2ajo 1 . LYS 22 22 rr_2ajo 1 . ILE 23 23 rr_2ajo 1 . VAL 24 24 rr_2ajo 1 . LEU 25 25 rr_2ajo 1 . GLY 26 26 rr_2ajo 1 . TRP 27 27 rr_2ajo 1 . ALA 28 28 rr_2ajo 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_2ajo _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_2ajo _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_2ajo 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_2ajo 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 SER C C -21.928 0.875 -0.365 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . rr_2ajo 1 . 1 . 2 . 1 1 1 SER CA C -22.244 0.869 1.137 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . rr_2ajo 1 . 1 . 3 . 1 1 1 SER CB C -23.726 0.557 1.371 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . rr_2ajo 1 . 1 . 4 . 1 1 1 SER H1 H -22.284 2.221 2.729 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . rr_2ajo 1 . 1 . 5 . 1 1 1 SER H2 H -22.633 2.919 1.219 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . rr_2ajo 1 . 1 . 6 . 1 1 1 SER H3 H -21.035 2.501 1.616 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . rr_2ajo 1 . 1 . 7 . 1 1 1 SER HA H -21.631 0.144 1.648 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . rr_2ajo 1 . 1 . 8 . 1 1 1 SER HB2 H -24.073 1.079 2.247 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . rr_2ajo 1 . 1 . 9 . 1 1 1 SER HB3 H -24.300 0.879 0.512 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . rr_2ajo 1 . 1 . 10 . 1 1 1 SER HG H -24.785 -0.999 1.868 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . rr_2ajo 1 . 1 . 11 . 1 1 1 SER N N -22.034 2.231 1.719 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . rr_2ajo 1 . 1 . 12 . 1 1 1 SER O O -21.637 1.907 -0.942 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . rr_2ajo 1 . 1 . 13 . 1 1 1 SER OG O -23.886 -0.842 1.567 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . rr_2ajo 1 . 1 . 14 . 1 1 2 GLY C C -20.177 -0.365 -2.686 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_2ajo 1 . 1 . 15 . 1 1 2 GLY CA C -21.692 -0.339 -2.465 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_2ajo 1 . 1 . 16 . 1 1 2 GLY H H -22.224 -1.087 -0.514 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_2ajo 1 . 1 . 17 . 1 1 2 GLY HA2 H -22.133 -1.236 -2.877 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_2ajo 1 . 1 . 18 . 1 1 2 GLY HA3 H -22.109 0.526 -2.957 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_2ajo 1 . 1 . 19 . 1 1 2 GLY N N -21.985 -0.270 -1.001 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_2ajo 1 . 1 . 20 . 1 1 2 GLY O O -19.580 0.635 -3.038 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_2ajo 1 . 1 . 21 . 1 1 3 ASN C C -17.335 -0.549 -1.850 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . rr_2ajo 1 . 1 . 22 . 1 1 3 ASN CA C -18.071 -1.622 -2.670 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . rr_2ajo 1 . 1 . 23 . 1 1 3 ASN CB C -17.837 -1.416 -4.172 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . rr_2ajo 1 . 1 . 24 . 1 1 3 ASN CG C -16.783 -2.409 -4.670 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . rr_2ajo 1 . 1 . 25 . 1 1 3 ASN H H -20.068 -2.291 -2.196 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . rr_2ajo 1 . 1 . 26 . 1 1 3 ASN HA H -17.736 -2.605 -2.379 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . rr_2ajo 1 . 1 . 27 . 1 1 3 ASN HB2 H -18.763 -1.577 -4.706 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . rr_2ajo 1 . 1 . 28 . 1 1 3 ASN HB3 H -17.491 -0.409 -4.349 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . rr_2ajo 1 . 1 . 29 . 1 1 3 ASN HD21 H -15.247 -1.367 -3.955 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . rr_2ajo 1 . 1 . 30 . 1 1 3 ASN HD22 H -14.839 -2.804 -4.762 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . rr_2ajo 1 . 1 . 31 . 1 1 3 ASN N N -19.556 -1.506 -2.480 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . rr_2ajo 1 . 1 . 32 . 1 1 3 ASN ND2 N -15.518 -2.174 -4.442 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . rr_2ajo 1 . 1 . 33 . 1 1 3 ASN O O -16.381 0.050 -2.310 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . rr_2ajo 1 . 1 . 34 . 1 1 3 ASN OD1 O -17.114 -3.410 -5.272 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . rr_2ajo 1 . 1 . 35 . 1 1 4 TYR C C -16.411 0.064 1.411 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . rr_2ajo 1 . 1 . 36 . 1 1 4 TYR CA C -17.103 0.724 0.211 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . rr_2ajo 1 . 1 . 37 . 1 1 4 TYR CB C -18.231 1.650 0.676 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . rr_2ajo 1 . 1 . 38 . 1 1 4 TYR CD1 C -16.872 3.768 0.526 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . rr_2ajo 1 . 1 . 39 . 1 1 4 TYR CD2 C -17.843 3.154 2.661 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . rr_2ajo 1 . 1 . 40 . 1 1 4 TYR CE1 C -16.313 4.910 1.108 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . rr_2ajo 1 . 1 . 41 . 1 1 4 TYR CE2 C -17.283 4.295 3.244 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . rr_2ajo 1 . 1 . 42 . 1 1 4 TYR CG C -17.638 2.889 1.302 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . rr_2ajo 1 . 1 . 43 . 1 1 4 TYR CZ C -16.518 5.174 2.467 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . rr_2ajo 1 . 1 . 44 . 1 1 4 TYR H H -18.541 -0.803 -0.286 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . rr_2ajo 1 . 1 . 45 . 1 1 4 TYR HA H -16.388 1.282 -0.372 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . rr_2ajo 1 . 1 . 46 . 1 1 4 TYR HB2 H -18.838 1.931 -0.172 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . rr_2ajo 1 . 1 . 47 . 1 1 4 TYR HB3 H -18.843 1.138 1.403 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . rr_2ajo 1 . 1 . 48 . 1 1 4 TYR HD1 H -16.713 3.564 -0.523 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . rr_2ajo 1 . 1 . 49 . 1 1 4 TYR HD2 H -18.434 2.476 3.260 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . rr_2ajo 1 . 1 . 50 . 1 1 4 TYR HE1 H -15.723 5.587 0.510 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . rr_2ajo 1 . 1 . 51 . 1 1 4 TYR HE2 H -17.441 4.499 4.293 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . rr_2ajo 1 . 1 . 52 . 1 1 4 TYR HH H -16.550 7.039 2.870 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . rr_2ajo 1 . 1 . 53 . 1 1 4 TYR N N -17.773 -0.307 -0.638 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . rr_2ajo 1 . 1 . 54 . 1 1 4 TYR O O -16.650 -1.089 1.716 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . rr_2ajo 1 . 1 . 55 . 1 1 4 TYR OH O -15.965 6.298 3.042 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . rr_2ajo 1 . 1 . 56 . 1 1 5 VAL C C -13.706 -0.744 2.858 . . . 1.0 . . . . . . . . . . . . A . 5 VAL C . . . . . . . . . rr_2ajo 1 . 1 . 57 . 1 1 5 VAL CA C -14.796 0.263 3.276 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CA . . . . . . . . . rr_2ajo 1 . 1 . 58 . 1 1 5 VAL CB C -15.837 -0.407 4.188 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CB . . . . . . . . . rr_2ajo 1 . 1 . 59 . 1 1 5 VAL CG1 C -15.198 -0.736 5.539 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG1 . . . . . . . . . rr_2ajo 1 . 1 . 60 . 1 1 5 VAL CG2 C -17.022 0.540 4.414 . . . 1.0 . . . . . . . . . . . . A . 5 VAL CG2 . . . . . . . . . rr_2ajo 1 . 1 . 61 . 1 1 5 VAL H H -15.380 1.721 1.794 . . . 1.0 . . . . . . . . . . . . A . 5 VAL H . . . . . . . . . rr_2ajo 1 . 1 . 62 . 1 1 5 VAL HA H -14.336 1.082 3.803 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HA . . . . . . . . . rr_2ajo 1 . 1 . 63 . 1 1 5 VAL HB H -16.184 -1.319 3.725 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HB . . . . . . . . . rr_2ajo 1 . 1 . 64 . 1 1 5 VAL HG11 H -14.612 0.107 5.875 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG11 . . . . . . . . . rr_2ajo 1 . 1 . 65 . 1 1 5 VAL HG12 H -14.558 -1.600 5.433 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG12 . . . . . . . . . rr_2ajo 1 . 1 . 66 . 1 1 5 VAL HG13 H -15.972 -0.948 6.261 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG13 . . . . . . . . . rr_2ajo 1 . 1 . 67 . 1 1 5 VAL HG21 H -17.699 0.476 3.575 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG21 . . . . . . . . . rr_2ajo 1 . 1 . 68 . 1 1 5 VAL HG22 H -16.661 1.553 4.508 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG22 . . . . . . . . . rr_2ajo 1 . 1 . 69 . 1 1 5 VAL HG23 H -17.541 0.258 5.318 . . . 1.0 . . . . . . . . . . . . A . 5 VAL HG23 . . . . . . . . . rr_2ajo 1 . 1 . 70 . 1 1 5 VAL N N -15.545 0.799 2.082 . . . 1.0 . . . . . . . . . . . . A . 5 VAL N . . . . . . . . . rr_2ajo 1 . 1 . 71 . 1 1 5 VAL O O -12.869 -1.117 3.658 . . . 1.0 . . . . . . . . . . . . A . 5 VAL O . . . . . . . . . rr_2ajo 1 . 1 . 72 . 1 1 6 LEU C C -11.573 -1.385 0.378 . . . 1.0 . . . . . . . . . . . . A . 6 LEU C . . . . . . . . . rr_2ajo 1 . 1 . 73 . 1 1 6 LEU CA C -12.651 -2.137 1.161 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CA . . . . . . . . . rr_2ajo 1 . 1 . 74 . 1 1 6 LEU CB C -13.386 -3.132 0.254 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CB . . . . . . . . . rr_2ajo 1 . 1 . 75 . 1 1 6 LEU CD1 C -13.295 -5.326 1.453 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD1 . . . . . . . . . rr_2ajo 1 . 1 . 76 . 1 1 6 LEU CD2 C -12.885 -5.232 -1.011 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CD2 . . . . . . . . . rr_2ajo 1 . 1 . 77 . 1 1 6 LEU CG C -12.691 -4.495 0.318 . . . 1.0 . . . . . . . . . . . . A . 6 LEU CG . . . . . . . . . rr_2ajo 1 . 1 . 78 . 1 1 6 LEU H H -14.369 -0.856 0.990 . . . 1.0 . . . . . . . . . . . . A . 6 LEU H . . . . . . . . . rr_2ajo 1 . 1 . 79 . 1 1 6 LEU HA H -12.217 -2.650 2.000 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HA . . . . . . . . . rr_2ajo 1 . 1 . 80 . 1 1 6 LEU HB2 H -14.410 -3.233 0.585 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB2 . . . . . . . . . rr_2ajo 1 . 1 . 81 . 1 1 6 LEU HB3 H -13.371 -2.771 -0.764 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HB3 . . . . . . . . . rr_2ajo 1 . 1 . 82 . 1 1 6 LEU HD11 H -13.091 -6.372 1.281 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD11 . . . . . . . . . rr_2ajo 1 . 1 . 83 . 1 1 6 LEU HD12 H -14.363 -5.167 1.487 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD12 . . . . . . . . . rr_2ajo 1 . 1 . 84 . 1 1 6 LEU HD13 H -12.856 -5.024 2.393 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD13 . . . . . . . . . rr_2ajo 1 . 1 . 85 . 1 1 6 LEU HD21 H -12.365 -4.702 -1.796 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD21 . . . . . . . . . rr_2ajo 1 . 1 . 86 . 1 1 6 LEU HD22 H -13.938 -5.280 -1.246 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD22 . . . . . . . . . rr_2ajo 1 . 1 . 87 . 1 1 6 LEU HD23 H -12.489 -6.233 -0.929 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HD23 . . . . . . . . . rr_2ajo 1 . 1 . 88 . 1 1 6 LEU HG H -11.635 -4.352 0.501 . . . 1.0 . . . . . . . . . . . . A . 6 LEU HG . . . . . . . . . rr_2ajo 1 . 1 . 89 . 1 1 6 LEU N N -13.698 -1.174 1.620 . . . 1.0 . . . . . . . . . . . . A . 6 LEU N . . . . . . . . . rr_2ajo 1 . 1 . 90 . 1 1 6 LEU O O -10.390 -1.559 0.605 . . . 1.0 . . . . . . . . . . . . A . 6 LEU O . . . . . . . . . rr_2ajo 1 . 1 . 91 . 1 1 7 ASP C C -10.230 1.218 -0.451 . . . 1.0 . . . . . . . . . . . . A . 7 ASP C . . . . . . . . . rr_2ajo 1 . 1 . 92 . 1 1 7 ASP CA C -11.005 0.244 -1.349 . . . 1.0 . . . . . . . . . . . . A . 7 ASP CA . . . . . . . . . rr_2ajo 1 . 1 . 93 . 1 1 7 ASP CB C -11.855 1.015 -2.367 . . . 1.0 . . . . . . . . . . . . A . 7 ASP CB . . . . . . . . . rr_2ajo 1 . 1 . 94 . 1 1 7 ASP CG C -12.369 0.056 -3.446 . . . 1.0 . . . . . . . . . . . . A . 7 ASP CG . . . . . . . . . rr_2ajo 1 . 1 . 95 . 1 1 7 ASP H H -12.945 -0.429 -0.686 . . . 1.0 . . . . . . . . . . . . A . 7 ASP H . . . . . . . . . rr_2ajo 1 . 1 . 96 . 1 1 7 ASP HA H -10.325 -0.416 -1.863 . . . 1.0 . . . . . . . . . . . . A . 7 ASP HA . . . . . . . . . rr_2ajo 1 . 1 . 97 . 1 1 7 ASP HB2 H -12.693 1.472 -1.863 . . . 1.0 . . . . . . . . . . . . A . 7 ASP HB2 . . . . . . . . . rr_2ajo 1 . 1 . 98 . 1 1 7 ASP HB3 H -11.252 1.782 -2.830 . . . 1.0 . . . . . . . . . . . . A . 7 ASP HB3 . . . . . . . . . rr_2ajo 1 . 1 . 99 . 1 1 7 ASP N N -11.984 -0.545 -0.537 . . . 1.0 . . . . . . . . . . . . A . 7 ASP N . . . . . . . . . rr_2ajo 1 . 1 . 100 . 1 1 7 ASP O O -9.060 1.473 -0.669 . . . 1.0 . . . . . . . . . . . . A . 7 ASP O . . . . . . . . . rr_2ajo 1 . 1 . 101 . 1 1 7 ASP OD1 O -13.250 -0.731 -3.142 . . . 1.0 . . . . . . . . . . . . A . 7 ASP OD1 . . . . . . . . . rr_2ajo 1 . 1 . 102 . 1 1 7 ASP OD2 O -11.873 0.128 -4.557 . . . 1.0 . . . . . . . . . . . . A . 7 ASP OD2 . . . . . . . . . rr_2ajo 1 . 1 . 103 . 1 1 8 LEU C C -9.040 1.986 2.227 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_2ajo 1 . 1 . 104 . 1 1 8 LEU CA C -10.171 2.708 1.483 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_2ajo 1 . 1 . 105 . 1 1 8 LEU CB C -11.249 3.181 2.470 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_2ajo 1 . 1 . 106 . 1 1 8 LEU CD1 C -10.693 5.593 2.066 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_2ajo 1 . 1 . 107 . 1 1 8 LEU CD2 C -12.375 4.445 0.615 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_2ajo 1 . 1 . 108 . 1 1 8 LEU CG C -11.807 4.544 2.035 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_2ajo 1 . 1 . 109 . 1 1 8 LEU H H -11.813 1.528 0.719 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_2ajo 1 . 1 . 110 . 1 1 8 LEU HA H -9.779 3.548 0.931 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_2ajo 1 . 1 . 111 . 1 1 8 LEU HB2 H -12.052 2.458 2.498 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_2ajo 1 . 1 . 112 . 1 1 8 LEU HB3 H -10.817 3.272 3.455 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_2ajo 1 . 1 . 113 . 1 1 8 LEU HD11 H -10.176 5.599 1.118 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_2ajo 1 . 1 . 114 . 1 1 8 LEU HD12 H -9.995 5.355 2.855 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_2ajo 1 . 1 . 115 . 1 1 8 LEU HD13 H -11.122 6.567 2.247 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_2ajo 1 . 1 . 116 . 1 1 8 LEU HD21 H -13.105 3.650 0.573 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_2ajo 1 . 1 . 117 . 1 1 8 LEU HD22 H -11.574 4.235 -0.080 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_2ajo 1 . 1 . 118 . 1 1 8 LEU HD23 H -12.845 5.380 0.349 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_2ajo 1 . 1 . 119 . 1 1 8 LEU HG H -12.593 4.839 2.716 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_2ajo 1 . 1 . 120 . 1 1 8 LEU N N -10.871 1.756 0.562 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_2ajo 1 . 1 . 121 . 1 1 8 LEU O O -7.964 2.525 2.408 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_2ajo 1 . 1 . 122 . 1 1 9 ILE C C -7.071 -0.342 2.404 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . rr_2ajo 1 . 1 . 123 . 1 1 9 ILE CA C -8.216 -0.003 3.368 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . rr_2ajo 1 . 1 . 124 . 1 1 9 ILE CB C -8.912 -1.276 3.873 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . rr_2ajo 1 . 1 . 125 . 1 1 9 ILE CD1 C -9.350 -0.127 6.069 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . rr_2ajo 1 . 1 . 126 . 1 1 9 ILE CG1 C -9.984 -0.905 4.910 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . rr_2ajo 1 . 1 . 127 . 1 1 9 ILE CG2 C -7.885 -2.211 4.520 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . rr_2ajo 1 . 1 . 128 . 1 1 9 ILE H H -10.149 0.354 2.479 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . rr_2ajo 1 . 1 . 129 . 1 1 9 ILE HA H -7.840 0.570 4.203 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . rr_2ajo 1 . 1 . 130 . 1 1 9 ILE HB H -9.379 -1.782 3.040 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . rr_2ajo 1 . 1 . 131 . 1 1 9 ILE HD11 H -9.353 0.928 5.839 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . rr_2ajo 1 . 1 . 132 . 1 1 9 ILE HD12 H -8.333 -0.461 6.215 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . rr_2ajo 1 . 1 . 133 . 1 1 9 ILE HD13 H -9.918 -0.300 6.971 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . rr_2ajo 1 . 1 . 134 . 1 1 9 ILE HG12 H -10.740 -0.293 4.440 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . rr_2ajo 1 . 1 . 135 . 1 1 9 ILE HG13 H -10.440 -1.806 5.292 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . rr_2ajo 1 . 1 . 136 . 1 1 9 ILE HG21 H -7.312 -2.705 3.749 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . rr_2ajo 1 . 1 . 137 . 1 1 9 ILE HG22 H -8.396 -2.951 5.117 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . rr_2ajo 1 . 1 . 138 . 1 1 9 ILE HG23 H -7.221 -1.637 5.149 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . rr_2ajo 1 . 1 . 139 . 1 1 9 ILE N N -9.276 0.766 2.647 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . rr_2ajo 1 . 1 . 140 . 1 1 9 ILE O O -5.918 -0.362 2.790 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . rr_2ajo 1 . 1 . 141 . 1 1 10 TYR C C -5.503 0.365 -0.170 . . . 1.0 . . . . . . . . . . . . A . 10 TYR C . . . . . . . . . rr_2ajo 1 . 1 . 142 . 1 1 10 TYR CA C -6.286 -0.908 0.176 . . . 1.0 . . . . . . . . . . . . A . 10 TYR CA . . . . . . . . . rr_2ajo 1 . 1 . 143 . 1 1 10 TYR CB C -6.967 -1.485 -1.065 . . . 1.0 . . . . . . . . . . . . A . 10 TYR CB . . . . . . . . . rr_2ajo 1 . 1 . 144 . 1 1 10 TYR CD1 C -5.992 -3.796 -1.301 . . . 1.0 . . . . . . . . . . . . A . 10 TYR CD1 . . . . . . . . . rr_2ajo 1 . 1 . 145 . 1 1 10 TYR CD2 C -5.147 -2.024 -2.723 . . . 1.0 . . . . . . . . . . . . A . 10 TYR CD2 . . . . . . . . . rr_2ajo 1 . 1 . 146 . 1 1 10 TYR CE1 C -5.099 -4.697 -1.892 . . . 1.0 . . . . . . . . . . . . A . 10 TYR CE1 . . . . . . . . . rr_2ajo 1 . 1 . 147 . 1 1 10 TYR CE2 C -4.253 -2.923 -3.313 . . . 1.0 . . . . . . . . . . . . A . 10 TYR CE2 . . . . . . . . . rr_2ajo 1 . 1 . 148 . 1 1 10 TYR CG C -6.017 -2.460 -1.717 . . . 1.0 . . . . . . . . . . . . A . 10 TYR CG . . . . . . . . . rr_2ajo 1 . 1 . 149 . 1 1 10 TYR CZ C -4.229 -4.260 -2.898 . . . 1.0 . . . . . . . . . . . . A . 10 TYR CZ . . . . . . . . . rr_2ajo 1 . 1 . 150 . 1 1 10 TYR H H -8.308 -0.561 0.850 . . . 1.0 . . . . . . . . . . . . A . 10 TYR H . . . . . . . . . rr_2ajo 1 . 1 . 151 . 1 1 10 TYR HA H -5.619 -1.643 0.599 . . . 1.0 . . . . . . . . . . . . A . 10 TYR HA . . . . . . . . . rr_2ajo 1 . 1 . 152 . 1 1 10 TYR HB2 H -7.875 -1.996 -0.778 . . . 1.0 . . . . . . . . . . . . A . 10 TYR HB2 . . . . . . . . . rr_2ajo 1 . 1 . 153 . 1 1 10 TYR HB3 H -7.199 -0.689 -1.757 . . . 1.0 . . . . . . . . . . . . A . 10 TYR HB3 . . . . . . . . . rr_2ajo 1 . 1 . 154 . 1 1 10 TYR HD1 H -6.664 -4.133 -0.525 . . . 1.0 . . . . . . . . . . . . A . 10 TYR HD1 . . . . . . . . . rr_2ajo 1 . 1 . 155 . 1 1 10 TYR HD2 H -5.166 -0.993 -3.044 . . . 1.0 . . . . . . . . . . . . A . 10 TYR HD2 . . . . . . . . . rr_2ajo 1 . 1 . 156 . 1 1 10 TYR HE1 H -5.080 -5.727 -1.570 . . . 1.0 . . . . . . . . . . . . A . 10 TYR HE1 . . . . . . . . . rr_2ajo 1 . 1 . 157 . 1 1 10 TYR HE2 H -3.580 -2.585 -4.087 . . . 1.0 . . . . . . . . . . . . A . 10 TYR HE2 . . . . . . . . . rr_2ajo 1 . 1 . 158 . 1 1 10 TYR HH H -3.848 -5.733 -4.054 . . . 1.0 . . . . . . . . . . . . A . 10 TYR HH . . . . . . . . . rr_2ajo 1 . 1 . 159 . 1 1 10 TYR N N -7.374 -0.593 1.149 . . . 1.0 . . . . . . . . . . . . A . 10 TYR N . . . . . . . . . rr_2ajo 1 . 1 . 160 . 1 1 10 TYR O O -4.345 0.301 -0.537 . . . 1.0 . . . . . . . . . . . . A . 10 TYR O . . . . . . . . . rr_2ajo 1 . 1 . 161 . 1 1 10 TYR OH O -3.346 -5.146 -3.482 . . . 1.0 . . . . . . . . . . . . A . 10 TYR OH . . . . . . . . . rr_2ajo 1 . 1 . 162 . 1 1 11 SER C C -4.102 2.823 0.540 . . . 1.0 . . . . . . . . . . . . A . 11 SER C . . . . . . . . . rr_2ajo 1 . 1 . 163 . 1 1 11 SER CA C -5.377 2.795 -0.315 . . . 1.0 . . . . . . . . . . . . A . 11 SER CA . . . . . . . . . rr_2ajo 1 . 1 . 164 . 1 1 11 SER CB C -6.338 3.917 0.088 . . . 1.0 . . . . . . . . . . . . A . 11 SER CB . . . . . . . . . rr_2ajo 1 . 1 . 165 . 1 1 11 SER H H -7.039 1.556 0.288 . . . 1.0 . . . . . . . . . . . . A . 11 SER H . . . . . . . . . rr_2ajo 1 . 1 . 166 . 1 1 11 SER HA H -5.133 2.866 -1.364 . . . 1.0 . . . . . . . . . . . . A . 11 SER HA . . . . . . . . . rr_2ajo 1 . 1 . 167 . 1 1 11 SER HB2 H -7.261 3.816 -0.459 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB2 . . . . . . . . . rr_2ajo 1 . 1 . 168 . 1 1 11 SER HB3 H -6.545 3.850 1.149 . . . 1.0 . . . . . . . . . . . . A . 11 SER HB3 . . . . . . . . . rr_2ajo 1 . 1 . 169 . 1 1 11 SER HG H -6.382 5.862 0.025 . . . 1.0 . . . . . . . . . . . . A . 11 SER HG . . . . . . . . . rr_2ajo 1 . 1 . 170 . 1 1 11 SER N N -6.112 1.524 -0.029 . . . 1.0 . . . . . . . . . . . . A . 11 SER N . . . . . . . . . rr_2ajo 1 . 1 . 171 . 1 1 11 SER O O -3.057 3.277 0.110 . . . 1.0 . . . . . . . . . . . . A . 11 SER O . . . . . . . . . rr_2ajo 1 . 1 . 172 . 1 1 11 SER OG O -5.752 5.177 -0.214 . . . 1.0 . . . . . . . . . . . . A . 11 SER OG . . . . . . . . . rr_2ajo 1 . 1 . 173 . 1 1 12 LEU C C -2.119 1.034 2.228 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . rr_2ajo 1 . 1 . 174 . 1 1 12 LEU CA C -2.988 2.235 2.628 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . rr_2ajo 1 . 1 . 175 . 1 1 12 LEU CB C -3.553 2.048 4.040 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . rr_2ajo 1 . 1 . 176 . 1 1 12 LEU CD1 C -2.348 3.872 5.256 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . rr_2ajo 1 . 1 . 177 . 1 1 12 LEU CD2 C -2.844 1.711 6.411 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . rr_2ajo 1 . 1 . 178 . 1 1 12 LEU CG C -2.469 2.357 5.075 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . rr_2ajo 1 . 1 . 179 . 1 1 12 LEU H H -5.033 1.911 2.045 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . rr_2ajo 1 . 1 . 180 . 1 1 12 LEU HA H -2.424 3.148 2.568 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . rr_2ajo 1 . 1 . 181 . 1 1 12 LEU HB2 H -4.392 2.714 4.183 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . rr_2ajo 1 . 1 . 182 . 1 1 12 LEU HB3 H -3.883 1.026 4.161 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . rr_2ajo 1 . 1 . 183 . 1 1 12 LEU HD11 H -3.326 4.293 5.439 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . rr_2ajo 1 . 1 . 184 . 1 1 12 LEU HD12 H -1.930 4.309 4.361 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . rr_2ajo 1 . 1 . 185 . 1 1 12 LEU HD13 H -1.703 4.085 6.096 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . rr_2ajo 1 . 1 . 186 . 1 1 12 LEU HD21 H -2.121 1.991 7.162 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . rr_2ajo 1 . 1 . 187 . 1 1 12 LEU HD22 H -2.853 0.637 6.302 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . rr_2ajo 1 . 1 . 188 . 1 1 12 LEU HD23 H -3.825 2.050 6.712 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . rr_2ajo 1 . 1 . 189 . 1 1 12 LEU HG H -1.523 1.960 4.735 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . rr_2ajo 1 . 1 . 190 . 1 1 12 LEU N N -4.184 2.296 1.739 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . rr_2ajo 1 . 1 . 191 . 1 1 12 LEU O O -0.908 1.071 2.328 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . rr_2ajo 1 . 1 . 192 . 1 1 13 HIS C C -0.929 -0.894 0.295 . . . 1.0 . . . . . . . . . . . . A . 13 HIS C . . . . . . . . . rr_2ajo 1 . 1 . 193 . 1 1 13 HIS CA C -1.995 -1.250 1.340 . . . 1.0 . . . . . . . . . . . . A . 13 HIS CA . . . . . . . . . rr_2ajo 1 . 1 . 194 . 1 1 13 HIS CB C -3.057 -2.169 0.727 . . . 1.0 . . . . . . . . . . . . A . 13 HIS CB . . . . . . . . . rr_2ajo 1 . 1 . 195 . 1 1 13 HIS CD2 C -1.788 -3.998 -0.667 . . . 1.0 . . . . . . . . . . . . A . 13 HIS CD2 . . . . . . . . . rr_2ajo 1 . 1 . 196 . 1 1 13 HIS CE1 C -1.872 -5.610 0.777 . . . 1.0 . . . . . . . . . . . . A . 13 HIS CE1 . . . . . . . . . rr_2ajo 1 . 1 . 197 . 1 1 13 HIS CG C -2.453 -3.513 0.432 . . . 1.0 . . . . . . . . . . . . A . 13 HIS CG . . . . . . . . . rr_2ajo 1 . 1 . 198 . 1 1 13 HIS H H -3.722 -0.009 1.700 . . . 1.0 . . . . . . . . . . . . A . 13 HIS H . . . . . . . . . rr_2ajo 1 . 1 . 199 . 1 1 13 HIS HA H -1.543 -1.732 2.189 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HA . . . . . . . . . rr_2ajo 1 . 1 . 200 . 1 1 13 HIS HB2 H -3.876 -2.287 1.422 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HB2 . . . . . . . . . rr_2ajo 1 . 1 . 201 . 1 1 13 HIS HB3 H -3.425 -1.733 -0.190 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HB3 . . . . . . . . . rr_2ajo 1 . 1 . 202 . 1 1 13 HIS HD1 H -2.903 -4.537 2.231 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HD1 . . . . . . . . . rr_2ajo 1 . 1 . 203 . 1 1 13 HIS HD2 H -1.582 -3.437 -1.567 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HD2 . . . . . . . . . rr_2ajo 1 . 1 . 204 . 1 1 13 HIS HE1 H -1.751 -6.571 1.255 . . . 1.0 . . . . . . . . . . . . A . 13 HIS HE1 . . . . . . . . . rr_2ajo 1 . 1 . 205 . 1 1 13 HIS N N -2.746 -0.025 1.768 . . . 1.0 . . . . . . . . . . . . A . 13 HIS N . . . . . . . . . rr_2ajo 1 . 1 . 206 . 1 1 13 HIS ND1 N -2.494 -4.559 1.340 . . . 1.0 . . . . . . . . . . . . A . 13 HIS ND1 . . . . . . . . . rr_2ajo 1 . 1 . 207 . 1 1 13 HIS NE2 N -1.422 -5.322 -0.448 . . . 1.0 . . . . . . . . . . . . A . 13 HIS NE2 . . . . . . . . . rr_2ajo 1 . 1 . 208 . 1 1 13 HIS O O 0.194 -1.357 0.367 . . . 1.0 . . . . . . . . . . . . A . 13 HIS O . . . . . . . . . rr_2ajo 1 . 1 . 209 . 1 1 14 LYS C C 0.834 1.172 -1.101 . . . 1.0 . . . . . . . . . . . . A . 14 LYS C . . . . . . . . . rr_2ajo 1 . 1 . 210 . 1 1 14 LYS CA C -0.272 0.312 -1.717 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CA . . . . . . . . . rr_2ajo 1 . 1 . 211 . 1 1 14 LYS CB C -1.062 1.105 -2.764 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CB . . . . . . . . . rr_2ajo 1 . 1 . 212 . 1 1 14 LYS CD C -0.031 0.441 -4.945 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CD . . . . . . . . . rr_2ajo 1 . 1 . 213 . 1 1 14 LYS CE C 0.146 -0.803 -5.824 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CE . . . . . . . . . rr_2ajo 1 . 1 . 214 . 1 1 14 LYS CG C -1.240 0.252 -4.023 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CG . . . . . . . . . rr_2ajo 1 . 1 . 215 . 1 1 14 LYS H H -2.182 0.287 -0.704 . . . 1.0 . . . . . . . . . . . . A . 14 LYS H . . . . . . . . . rr_2ajo 1 . 1 . 216 . 1 1 14 LYS HA H 0.154 -0.568 -2.165 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HA . . . . . . . . . rr_2ajo 1 . 1 . 217 . 1 1 14 LYS HB2 H -2.031 1.366 -2.364 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HB2 . . . . . . . . . rr_2ajo 1 . 1 . 218 . 1 1 14 LYS HB3 H -0.523 2.006 -3.015 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HB3 . . . . . . . . . rr_2ajo 1 . 1 . 219 . 1 1 14 LYS HD2 H -0.189 1.308 -5.571 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HD2 . . . . . . . . . rr_2ajo 1 . 1 . 220 . 1 1 14 LYS HD3 H 0.857 0.586 -4.349 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HD3 . . . . . . . . . rr_2ajo 1 . 1 . 221 . 1 1 14 LYS HE2 H 1.189 -0.932 -6.082 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HE2 . . . . . . . . . rr_2ajo 1 . 1 . 222 . 1 1 14 LYS HE3 H -0.227 -1.678 -5.316 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HE3 . . . . . . . . . rr_2ajo 1 . 1 . 223 . 1 1 14 LYS HG2 H -1.322 -0.789 -3.743 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HG2 . . . . . . . . . rr_2ajo 1 . 1 . 224 . 1 1 14 LYS HG3 H -2.137 0.557 -4.540 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HG3 . . . . . . . . . rr_2ajo 1 . 1 . 225 . 1 1 14 LYS HZ1 H -1.637 -0.289 -6.778 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ1 . . . . . . . . . rr_2ajo 1 . 1 . 226 . 1 1 14 LYS HZ2 H -0.680 -1.394 -7.643 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ2 . . . . . . . . . rr_2ajo 1 . 1 . 227 . 1 1 14 LYS HZ3 H -0.243 0.247 -7.584 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ3 . . . . . . . . . rr_2ajo 1 . 1 . 228 . 1 1 14 LYS N N -1.270 -0.075 -0.670 . . . 1.0 . . . . . . . . . . . . A . 14 LYS N . . . . . . . . . rr_2ajo 1 . 1 . 229 . 1 1 14 LYS NZ N -0.665 -0.539 -7.049 . . . 1.0 . . . . . . . . . . . . A . 14 LYS NZ . . . . . . . . . rr_2ajo 1 . 1 . 230 . 1 1 14 LYS O O 1.995 1.036 -1.439 . . . 1.0 . . . . . . . . . . . . A . 14 LYS O . . . . . . . . . rr_2ajo 1 . 1 . 231 . 1 1 15 GLN C C 2.552 2.023 1.176 . . . 1.0 . . . . . . . . . . . . A . 15 GLN C . . . . . . . . . rr_2ajo 1 . 1 . 232 . 1 1 15 GLN CA C 1.510 2.904 0.475 . . . 1.0 . . . . . . . . . . . . A . 15 GLN CA . . . . . . . . . rr_2ajo 1 . 1 . 233 . 1 1 15 GLN CB C 0.737 3.746 1.499 . . . 1.0 . . . . . . . . . . . . A . 15 GLN CB . . . . . . . . . rr_2ajo 1 . 1 . 234 . 1 1 15 GLN CD C 0.065 5.681 0.056 . . . 1.0 . . . . . . . . . . . . A . 15 GLN CD . . . . . . . . . rr_2ajo 1 . 1 . 235 . 1 1 15 GLN CG C 0.958 5.236 1.217 . . . 1.0 . . . . . . . . . . . . A . 15 GLN CG . . . . . . . . . rr_2ajo 1 . 1 . 236 . 1 1 15 GLN H H -0.461 2.116 0.069 . . . 1.0 . . . . . . . . . . . . A . 15 GLN H . . . . . . . . . rr_2ajo 1 . 1 . 237 . 1 1 15 GLN HA H 1.986 3.546 -0.249 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HA . . . . . . . . . rr_2ajo 1 . 1 . 238 . 1 1 15 GLN HB2 H -0.317 3.519 1.431 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HB2 . . . . . . . . . rr_2ajo 1 . 1 . 239 . 1 1 15 GLN HB3 H 1.090 3.515 2.493 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HB3 . . . . . . . . . rr_2ajo 1 . 1 . 240 . 1 1 15 GLN HE21 H 1.366 5.137 -1.346 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HE21 . . . . . . . . . rr_2ajo 1 . 1 . 241 . 1 1 15 GLN HE22 H -0.082 5.809 -1.920 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HE22 . . . . . . . . . rr_2ajo 1 . 1 . 242 . 1 1 15 GLN HG2 H 0.712 5.808 2.100 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HG2 . . . . . . . . . rr_2ajo 1 . 1 . 243 . 1 1 15 GLN HG3 H 1.993 5.405 0.958 . . . 1.0 . . . . . . . . . . . . A . 15 GLN HG3 . . . . . . . . . rr_2ajo 1 . 1 . 244 . 1 1 15 GLN N N 0.481 2.041 -0.188 . . . 1.0 . . . . . . . . . . . . A . 15 GLN N . . . . . . . . . rr_2ajo 1 . 1 . 245 . 1 1 15 GLN NE2 N 0.485 5.530 -1.172 . . . 1.0 . . . . . . . . . . . . A . 15 GLN NE2 . . . . . . . . . rr_2ajo 1 . 1 . 246 . 1 1 15 GLN O O 3.732 2.316 1.168 . . . 1.0 . . . . . . . . . . . . A . 15 GLN O . . . . . . . . . rr_2ajo 1 . 1 . 247 . 1 1 15 GLN OE1 O -1.027 6.174 0.267 . . . 1.0 . . . . . . . . . . . . A . 15 GLN OE1 . . . . . . . . . rr_2ajo 1 . 1 . 248 . 1 1 16 ILE C C 3.866 -0.784 1.414 . . . 1.0 . . . . . . . . . . . . A . 16 ILE C . . . . . . . . . rr_2ajo 1 . 1 . 249 . 1 1 16 ILE CA C 3.080 0.016 2.458 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CA . . . . . . . . . rr_2ajo 1 . 1 . 250 . 1 1 16 ILE CB C 2.208 -0.917 3.310 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CB . . . . . . . . . rr_2ajo 1 . 1 . 251 . 1 1 16 ILE CD1 C 0.111 -0.770 4.664 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CD1 . . . . . . . . . rr_2ajo 1 . 1 . 252 . 1 1 16 ILE CG1 C 1.454 -0.101 4.367 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG1 . . . . . . . . . rr_2ajo 1 . 1 . 253 . 1 1 16 ILE CG2 C 3.091 -1.955 4.009 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG2 . . . . . . . . . rr_2ajo 1 . 1 . 254 . 1 1 16 ILE H H 1.164 0.717 1.751 . . . 1.0 . . . . . . . . . . . . A . 16 ILE H . . . . . . . . . rr_2ajo 1 . 1 . 255 . 1 1 16 ILE HA H 3.750 0.574 3.086 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HA . . . . . . . . . rr_2ajo 1 . 1 . 256 . 1 1 16 ILE HB H 1.498 -1.424 2.671 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HB . . . . . . . . . rr_2ajo 1 . 1 . 257 . 1 1 16 ILE HD11 H 0.281 -1.732 5.123 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD11 . . . . . . . . . rr_2ajo 1 . 1 . 258 . 1 1 16 ILE HD12 H -0.437 -0.902 3.743 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD12 . . . . . . . . . rr_2ajo 1 . 1 . 259 . 1 1 16 ILE HD13 H -0.460 -0.147 5.336 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD13 . . . . . . . . . rr_2ajo 1 . 1 . 260 . 1 1 16 ILE HG12 H 2.042 -0.054 5.272 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG12 . . . . . . . . . rr_2ajo 1 . 1 . 261 . 1 1 16 ILE HG13 H 1.281 0.898 3.997 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG13 . . . . . . . . . rr_2ajo 1 . 1 . 262 . 1 1 16 ILE HG21 H 4.025 -1.497 4.299 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG21 . . . . . . . . . rr_2ajo 1 . 1 . 263 . 1 1 16 ILE HG22 H 3.286 -2.775 3.333 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG22 . . . . . . . . . rr_2ajo 1 . 1 . 264 . 1 1 16 ILE HG23 H 2.584 -2.327 4.888 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG23 . . . . . . . . . rr_2ajo 1 . 1 . 265 . 1 1 16 ILE N N 2.121 0.935 1.769 . . . 1.0 . . . . . . . . . . . . A . 16 ILE N . . . . . . . . . rr_2ajo 1 . 1 . 266 . 1 1 16 ILE O O 5.051 -1.018 1.558 . . . 1.0 . . . . . . . . . . . . A . 16 ILE O . . . . . . . . . rr_2ajo 1 . 1 . 267 . 1 1 17 ASN C C 4.928 -1.115 -1.436 . . . 1.0 . . . . . . . . . . . . A . 17 ASN C . . . . . . . . . rr_2ajo 1 . 1 . 268 . 1 1 17 ASN CA C 3.895 -1.986 -0.709 . . . 1.0 . . . . . . . . . . . . A . 17 ASN CA . . . . . . . . . rr_2ajo 1 . 1 . 269 . 1 1 17 ASN CB C 2.780 -2.413 -1.669 . . . 1.0 . . . . . . . . . . . . A . 17 ASN CB . . . . . . . . . rr_2ajo 1 . 1 . 270 . 1 1 17 ASN CG C 3.263 -3.585 -2.525 . . . 1.0 . . . . . . . . . . . . A . 17 ASN CG . . . . . . . . . rr_2ajo 1 . 1 . 271 . 1 1 17 ASN H H 2.252 -0.990 0.277 . . . 1.0 . . . . . . . . . . . . A . 17 ASN H . . . . . . . . . rr_2ajo 1 . 1 . 272 . 1 1 17 ASN HA H 4.369 -2.858 -0.287 . . . 1.0 . . . . . . . . . . . . A . 17 ASN HA . . . . . . . . . rr_2ajo 1 . 1 . 273 . 1 1 17 ASN HB2 H 1.911 -2.714 -1.101 . . . 1.0 . . . . . . . . . . . . A . 17 ASN HB2 . . . . . . . . . rr_2ajo 1 . 1 . 274 . 1 1 17 ASN HB3 H 2.521 -1.584 -2.311 . . . 1.0 . . . . . . . . . . . . A . 17 ASN HB3 . . . . . . . . . rr_2ajo 1 . 1 . 275 . 1 1 17 ASN HD21 H 2.324 -4.955 -1.435 . . . 1.0 . . . . . . . . . . . . A . 17 ASN HD21 . . . . . . . . . rr_2ajo 1 . 1 . 276 . 1 1 17 ASN HD22 H 3.205 -5.556 -2.756 . . . 1.0 . . . . . . . . . . . . A . 17 ASN HD22 . . . . . . . . . rr_2ajo 1 . 1 . 277 . 1 1 17 ASN N N 3.206 -1.199 0.362 . . . 1.0 . . . . . . . . . . . . A . 17 ASN N . . . . . . . . . rr_2ajo 1 . 1 . 278 . 1 1 17 ASN ND2 N 2.901 -4.799 -2.212 . . . 1.0 . . . . . . . . . . . . A . 17 ASN ND2 . . . . . . . . . rr_2ajo 1 . 1 . 279 . 1 1 17 ASN O O 6.063 -1.512 -1.619 . . . 1.0 . . . . . . . . . . . . A . 17 ASN O . . . . . . . . . rr_2ajo 1 . 1 . 280 . 1 1 17 ASN OD1 O 3.981 -3.395 -3.487 . . . 1.0 . . . . . . . . . . . . A . 17 ASN OD1 . . . . . . . . . rr_2ajo 1 . 1 . 281 . 1 1 18 ARG C C 6.501 1.581 -1.565 . . . 1.0 . . . . . . . . . . . . A . 18 ARG C . . . . . . . . . rr_2ajo 1 . 1 . 282 . 1 1 18 ARG CA C 5.500 0.974 -2.559 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CA . . . . . . . . . rr_2ajo 1 . 1 . 283 . 1 1 18 ARG CB C 4.630 2.070 -3.185 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CB . . . . . . . . . rr_2ajo 1 . 1 . 284 . 1 1 18 ARG CD C 5.298 3.917 -4.738 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CD . . . . . . . . . rr_2ajo 1 . 1 . 285 . 1 1 18 ARG CG C 5.150 2.400 -4.587 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CG . . . . . . . . . rr_2ajo 1 . 1 . 286 . 1 1 18 ARG CZ C 7.603 4.610 -5.032 . . . 1.0 . . . . . . . . . . . . A . 18 ARG CZ . . . . . . . . . rr_2ajo 1 . 1 . 287 . 1 1 18 ARG H H 3.620 0.368 -1.681 . . . 1.0 . . . . . . . . . . . . A . 18 ARG H . . . . . . . . . rr_2ajo 1 . 1 . 288 . 1 1 18 ARG HA H 6.021 0.432 -3.332 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HA . . . . . . . . . rr_2ajo 1 . 1 . 289 . 1 1 18 ARG HB2 H 3.608 1.724 -3.253 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB2 . . . . . . . . . rr_2ajo 1 . 1 . 290 . 1 1 18 ARG HB3 H 4.669 2.956 -2.570 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HB3 . . . . . . . . . rr_2ajo 1 . 1 . 291 . 1 1 18 ARG HD2 H 5.221 4.198 -5.780 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD2 . . . . . . . . . rr_2ajo 1 . 1 . 292 . 1 1 18 ARG HD3 H 4.550 4.430 -4.154 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HD3 . . . . . . . . . rr_2ajo 1 . 1 . 293 . 1 1 18 ARG HE H 6.845 4.147 -3.254 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HE . . . . . . . . . rr_2ajo 1 . 1 . 294 . 1 1 18 ARG HG2 H 6.110 1.926 -4.737 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG2 . . . . . . . . . rr_2ajo 1 . 1 . 295 . 1 1 18 ARG HG3 H 4.451 2.034 -5.324 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HG3 . . . . . . . . . rr_2ajo 1 . 1 . 296 . 1 1 18 ARG HH11 H 6.787 6.408 -5.380 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH11 . . . . . . . . . rr_2ajo 1 . 1 . 297 . 1 1 18 ARG HH12 H 8.271 6.086 -6.213 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH12 . . . . . . . . . rr_2ajo 1 . 1 . 298 . 1 1 18 ARG HH21 H 8.638 2.900 -4.875 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH21 . . . . . . . . . rr_2ajo 1 . 1 . 299 . 1 1 18 ARG HH22 H 9.321 4.094 -5.928 . . . 1.0 . . . . . . . . . . . . A . 18 ARG HH22 . . . . . . . . . rr_2ajo 1 . 1 . 300 . 1 1 18 ARG N N 4.542 0.070 -1.847 . . . 1.0 . . . . . . . . . . . . A . 18 ARG N . . . . . . . . . rr_2ajo 1 . 1 . 301 . 1 1 18 ARG NE N 6.659 4.229 -4.213 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NE . . . . . . . . . rr_2ajo 1 . 1 . 302 . 1 1 18 ARG NH1 N 7.551 5.794 -5.584 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH1 . . . . . . . . . rr_2ajo 1 . 1 . 303 . 1 1 18 ARG NH2 N 8.599 3.806 -5.298 . . . 1.0 . . . . . . . . . . . . A . 18 ARG NH2 . . . . . . . . . rr_2ajo 1 . 1 . 304 . 1 1 18 ARG O O 7.631 1.872 -1.915 . . . 1.0 . . . . . . . . . . . . A . 18 ARG O . . . . . . . . . rr_2ajo 1 . 1 . 305 . 1 1 19 GLY C C 8.149 1.362 0.978 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . rr_2ajo 1 . 1 . 306 . 1 1 19 GLY CA C 7.021 2.356 0.687 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . rr_2ajo 1 . 1 . 307 . 1 1 19 GLY H H 5.180 1.532 -0.072 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . rr_2ajo 1 . 1 . 308 . 1 1 19 GLY HA2 H 7.439 3.278 0.307 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . rr_2ajo 1 . 1 . 309 . 1 1 19 GLY HA3 H 6.477 2.554 1.598 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . rr_2ajo 1 . 1 . 310 . 1 1 19 GLY N N 6.096 1.774 -0.331 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . rr_2ajo 1 . 1 . 311 . 1 1 19 GLY O O 9.302 1.736 1.095 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . rr_2ajo 1 . 1 . 312 . 1 1 20 LEU C C 9.318 -1.581 0.034 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_2ajo 1 . 1 . 313 . 1 1 20 LEU CA C 8.878 -0.931 1.352 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_2ajo 1 . 1 . 314 . 1 1 20 LEU CB C 8.210 -1.955 2.275 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_2ajo 1 . 1 . 315 . 1 1 20 LEU CD1 C 6.720 -1.053 4.072 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_2ajo 1 . 1 . 316 . 1 1 20 LEU CD2 C 8.696 -2.458 4.674 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_2ajo 1 . 1 . 317 . 1 1 20 LEU CG C 8.163 -1.403 3.702 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_2ajo 1 . 1 . 318 . 1 1 20 LEU H H 6.893 -0.182 0.970 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_2ajo 1 . 1 . 319 . 1 1 20 LEU HA H 9.724 -0.482 1.849 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_2ajo 1 . 1 . 320 . 1 1 20 LEU HB2 H 7.205 -2.151 1.929 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_2ajo 1 . 1 . 321 . 1 1 20 LEU HB3 H 8.778 -2.874 2.265 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_2ajo 1 . 1 . 322 . 1 1 20 LEU HD11 H 6.076 -1.889 3.840 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_2ajo 1 . 1 . 323 . 1 1 20 LEU HD12 H 6.404 -0.187 3.510 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_2ajo 1 . 1 . 324 . 1 1 20 LEU HD13 H 6.662 -0.837 5.129 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_2ajo 1 . 1 . 325 . 1 1 20 LEU HD21 H 8.628 -2.084 5.685 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_2ajo 1 . 1 . 326 . 1 1 20 LEU HD22 H 9.728 -2.675 4.440 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_2ajo 1 . 1 . 327 . 1 1 20 LEU HD23 H 8.109 -3.360 4.583 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_2ajo 1 . 1 . 328 . 1 1 20 LEU HG H 8.774 -0.513 3.764 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_2ajo 1 . 1 . 329 . 1 1 20 LEU N N 7.827 0.095 1.081 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_2ajo 1 . 1 . 330 . 1 1 20 LEU O O 9.351 -2.790 -0.097 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_2ajo 1 . 1 . 331 . 1 1 21 LYS C C 11.283 -0.514 -2.793 . . . 1.0 . . . . . . . . . . . . A . 21 LYS C . . . . . . . . . rr_2ajo 1 . 1 . 332 . 1 1 21 LYS CA C 10.100 -1.326 -2.258 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CA . . . . . . . . . rr_2ajo 1 . 1 . 333 . 1 1 21 LYS CB C 8.883 -1.183 -3.178 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CB . . . . . . . . . rr_2ajo 1 . 1 . 334 . 1 1 21 LYS CD C 7.724 -2.274 -5.112 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CD . . . . . . . . . rr_2ajo 1 . 1 . 335 . 1 1 21 LYS CE C 7.409 -3.774 -5.152 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CE . . . . . . . . . rr_2ajo 1 . 1 . 336 . 1 1 21 LYS CG C 9.076 -2.049 -4.427 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CG . . . . . . . . . rr_2ajo 1 . 1 . 337 . 1 1 21 LYS H H 9.626 0.192 -0.806 . . . 1.0 . . . . . . . . . . . . A . 21 LYS H . . . . . . . . . rr_2ajo 1 . 1 . 338 . 1 1 21 LYS HA H 10.369 -2.366 -2.162 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HA . . . . . . . . . rr_2ajo 1 . 1 . 339 . 1 1 21 LYS HB2 H 7.997 -1.502 -2.651 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HB2 . . . . . . . . . rr_2ajo 1 . 1 . 340 . 1 1 21 LYS HB3 H 8.774 -0.150 -3.472 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HB3 . . . . . . . . . rr_2ajo 1 . 1 . 341 . 1 1 21 LYS HD2 H 6.950 -1.757 -4.563 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HD2 . . . . . . . . . rr_2ajo 1 . 1 . 342 . 1 1 21 LYS HD3 H 7.765 -1.892 -6.121 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HD3 . . . . . . . . . rr_2ajo 1 . 1 . 343 . 1 1 21 LYS HE2 H 6.783 -4.002 -6.004 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HE2 . . . . . . . . . rr_2ajo 1 . 1 . 344 . 1 1 21 LYS HE3 H 8.321 -4.349 -5.190 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HE3 . . . . . . . . . rr_2ajo 1 . 1 . 345 . 1 1 21 LYS HG2 H 9.747 -1.548 -5.110 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HG2 . . . . . . . . . rr_2ajo 1 . 1 . 346 . 1 1 21 LYS HG3 H 9.497 -3.001 -4.143 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HG3 . . . . . . . . . rr_2ajo 1 . 1 . 347 . 1 1 21 LYS HZ1 H 5.743 -3.604 -3.909 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ1 . . . . . . . . . rr_2ajo 1 . 1 . 348 . 1 1 21 LYS HZ2 H 7.224 -3.677 -3.077 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ2 . . . . . . . . . rr_2ajo 1 . 1 . 349 . 1 1 21 LYS HZ3 H 6.565 -5.082 -3.767 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ3 . . . . . . . . . rr_2ajo 1 . 1 . 350 . 1 1 21 LYS N N 9.658 -0.777 -0.941 . . . 1.0 . . . . . . . . . . . . A . 21 LYS N . . . . . . . . . rr_2ajo 1 . 1 . 351 . 1 1 21 LYS NZ N 6.681 -4.055 -3.880 . . . 1.0 . . . . . . . . . . . . A . 21 LYS NZ . . . . . . . . . rr_2ajo 1 . 1 . 352 . 1 1 21 LYS O O 12.334 -1.053 -3.081 . . . 1.0 . . . . . . . . . . . . A . 21 LYS O . . . . . . . . . rr_2ajo 1 . 1 . 353 . 1 1 22 LYS C C 13.372 1.723 -2.396 . . . 1.0 . . . . . . . . . . . . A . 22 LYS C . . . . . . . . . rr_2ajo 1 . 1 . 354 . 1 1 22 LYS CA C 12.246 1.627 -3.439 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CA . . . . . . . . . rr_2ajo 1 . 1 . 355 . 1 1 22 LYS CB C 11.633 3.007 -3.726 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CB . . . . . . . . . rr_2ajo 1 . 1 . 356 . 1 1 22 LYS CD C 10.317 4.908 -2.766 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CD . . . . . . . . . rr_2ajo 1 . 1 . 357 . 1 1 22 LYS CE C 10.949 6.126 -2.083 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CE . . . . . . . . . rr_2ajo 1 . 1 . 358 . 1 1 22 LYS CG C 11.124 3.650 -2.429 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CG . . . . . . . . . rr_2ajo 1 . 1 . 359 . 1 1 22 LYS H H 10.266 1.193 -2.682 . . . 1.0 . . . . . . . . . . . . A . 22 LYS H . . . . . . . . . rr_2ajo 1 . 1 . 360 . 1 1 22 LYS HA H 12.632 1.204 -4.354 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HA . . . . . . . . . rr_2ajo 1 . 1 . 361 . 1 1 22 LYS HB2 H 12.385 3.645 -4.168 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HB2 . . . . . . . . . rr_2ajo 1 . 1 . 362 . 1 1 22 LYS HB3 H 10.810 2.895 -4.415 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HB3 . . . . . . . . . rr_2ajo 1 . 1 . 363 . 1 1 22 LYS HD2 H 10.315 5.057 -3.836 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HD2 . . . . . . . . . rr_2ajo 1 . 1 . 364 . 1 1 22 LYS HD3 H 9.303 4.788 -2.418 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HD3 . . . . . . . . . rr_2ajo 1 . 1 . 365 . 1 1 22 LYS HE2 H 12.002 5.952 -1.905 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HE2 . . . . . . . . . rr_2ajo 1 . 1 . 366 . 1 1 22 LYS HE3 H 10.810 7.009 -2.687 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HE3 . . . . . . . . . rr_2ajo 1 . 1 . 367 . 1 1 22 LYS HG2 H 10.494 2.948 -1.901 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HG2 . . . . . . . . . rr_2ajo 1 . 1 . 368 . 1 1 22 LYS HG3 H 11.963 3.919 -1.807 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HG3 . . . . . . . . . rr_2ajo 1 . 1 . 369 . 1 1 22 LYS HZ1 H 9.202 6.383 -0.975 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ1 . . . . . . . . . rr_2ajo 1 . 1 . 370 . 1 1 22 LYS HZ2 H 10.572 7.110 -0.288 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ2 . . . . . . . . . rr_2ajo 1 . 1 . 371 . 1 1 22 LYS HZ3 H 10.372 5.425 -0.206 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ3 . . . . . . . . . rr_2ajo 1 . 1 . 372 . 1 1 22 LYS N N 11.123 0.780 -2.924 . . . 1.0 . . . . . . . . . . . . A . 22 LYS N . . . . . . . . . rr_2ajo 1 . 1 . 373 . 1 1 22 LYS NZ N 10.218 6.272 -0.791 . . . 1.0 . . . . . . . . . . . . A . 22 LYS NZ . . . . . . . . . rr_2ajo 1 . 1 . 374 . 1 1 22 LYS O O 14.536 1.780 -2.740 . . . 1.0 . . . . . . . . . . . . A . 22 LYS O . . . . . . . . . rr_2ajo 1 . 1 . 375 . 1 1 23 ILE C C 14.500 0.374 0.332 . . . 1.0 . . . . . . . . . . . . A . 23 ILE C . . . . . . . . . rr_2ajo 1 . 1 . 376 . 1 1 23 ILE CA C 14.084 1.796 -0.068 . . . 1.0 . . . . . . . . . . . . A . 23 ILE CA . . . . . . . . . rr_2ajo 1 . 1 . 377 . 1 1 23 ILE CB C 13.425 2.530 1.110 . . . 1.0 . . . . . . . . . . . . A . 23 ILE CB . . . . . . . . . rr_2ajo 1 . 1 . 378 . 1 1 23 ILE CD1 C 12.280 4.670 1.725 . . . 1.0 . . . . . . . . . . . . A . 23 ILE CD1 . . . . . . . . . rr_2ajo 1 . 1 . 379 . 1 1 23 ILE CG1 C 13.279 4.017 0.766 . . . 1.0 . . . . . . . . . . . . A . 23 ILE CG1 . . . . . . . . . rr_2ajo 1 . 1 . 380 . 1 1 23 ILE CG2 C 14.293 2.388 2.365 . . . 1.0 . . . . . . . . . . . . A . 23 ILE CG2 . . . . . . . . . rr_2ajo 1 . 1 . 381 . 1 1 23 ILE H H 12.089 1.665 -0.874 . . . 1.0 . . . . . . . . . . . . A . 23 ILE H . . . . . . . . . rr_2ajo 1 . 1 . 382 . 1 1 23 ILE HA H 14.939 2.353 -0.421 . . . 1.0 . . . . . . . . . . . . A . 23 ILE HA . . . . . . . . . rr_2ajo 1 . 1 . 383 . 1 1 23 ILE HB H 12.450 2.105 1.297 . . . 1.0 . . . . . . . . . . . . A . 23 ILE HB . . . . . . . . . rr_2ajo 1 . 1 . 384 . 1 1 23 ILE HD11 H 12.151 5.708 1.458 . . . 1.0 . . . . . . . . . . . . A . 23 ILE HD11 . . . . . . . . . rr_2ajo 1 . 1 . 385 . 1 1 23 ILE HD12 H 12.653 4.601 2.736 . . . 1.0 . . . . . . . . . . . . A . 23 ILE HD12 . . . . . . . . . rr_2ajo 1 . 1 . 386 . 1 1 23 ILE HD13 H 11.330 4.160 1.657 . . . 1.0 . . . . . . . . . . . . A . 23 ILE HD13 . . . . . . . . . rr_2ajo 1 . 1 . 387 . 1 1 23 ILE HG12 H 14.238 4.505 0.861 . . . 1.0 . . . . . . . . . . . . A . 23 ILE HG12 . . . . . . . . . rr_2ajo 1 . 1 . 388 . 1 1 23 ILE HG13 H 12.922 4.120 -0.247 . . . 1.0 . . . . . . . . . . . . A . 23 ILE HG13 . . . . . . . . . rr_2ajo 1 . 1 . 389 . 1 1 23 ILE HG21 H 14.261 1.365 2.712 . . . 1.0 . . . . . . . . . . . . A . 23 ILE HG21 . . . . . . . . . rr_2ajo 1 . 1 . 390 . 1 1 23 ILE HG22 H 13.917 3.041 3.139 . . . 1.0 . . . . . . . . . . . . A . 23 ILE HG22 . . . . . . . . . rr_2ajo 1 . 1 . 391 . 1 1 23 ILE HG23 H 15.312 2.656 2.132 . . . 1.0 . . . . . . . . . . . . A . 23 ILE HG23 . . . . . . . . . rr_2ajo 1 . 1 . 392 . 1 1 23 ILE N N 13.034 1.725 -1.129 . . . 1.0 . . . . . . . . . . . . A . 23 ILE N . . . . . . . . . rr_2ajo 1 . 1 . 393 . 1 1 23 ILE O O 15.659 0.107 0.588 . . . 1.0 . . . . . . . . . . . . A . 23 ILE O . . . . . . . . . rr_2ajo 1 . 1 . 394 . 1 1 24 VAL C C 14.653 -2.636 -0.385 . . . 1.0 . . . . . . . . . . . . A . 24 VAL C . . . . . . . . . rr_2ajo 1 . 1 . 395 . 1 1 24 VAL CA C 13.885 -1.950 0.754 . . . 1.0 . . . . . . . . . . . . A . 24 VAL CA . . . . . . . . . rr_2ajo 1 . 1 . 396 . 1 1 24 VAL CB C 12.526 -2.626 0.985 . . . 1.0 . . . . . . . . . . . . A . 24 VAL CB . . . . . . . . . rr_2ajo 1 . 1 . 397 . 1 1 24 VAL CG1 C 12.710 -4.140 1.118 . . . 1.0 . . . . . . . . . . . . A . 24 VAL CG1 . . . . . . . . . rr_2ajo 1 . 1 . 398 . 1 1 24 VAL CG2 C 11.899 -2.079 2.271 . . . 1.0 . . . . . . . . . . . . A . 24 VAL CG2 . . . . . . . . . rr_2ajo 1 . 1 . 399 . 1 1 24 VAL H H 12.633 -0.296 0.162 . . . 1.0 . . . . . . . . . . . . A . 24 VAL H . . . . . . . . . rr_2ajo 1 . 1 . 400 . 1 1 24 VAL HA H 14.465 -1.971 1.663 . . . 1.0 . . . . . . . . . . . . A . 24 VAL HA . . . . . . . . . rr_2ajo 1 . 1 . 401 . 1 1 24 VAL HB H 11.874 -2.417 0.149 . . . 1.0 . . . . . . . . . . . . A . 24 VAL HB . . . . . . . . . rr_2ajo 1 . 1 . 402 . 1 1 24 VAL HG11 H 12.902 -4.566 0.144 . . . 1.0 . . . . . . . . . . . . A . 24 VAL HG11 . . . . . . . . . rr_2ajo 1 . 1 . 403 . 1 1 24 VAL HG12 H 11.813 -4.576 1.531 . . . 1.0 . . . . . . . . . . . . A . 24 VAL HG12 . . . . . . . . . rr_2ajo 1 . 1 . 404 . 1 1 24 VAL HG13 H 13.545 -4.345 1.773 . . . 1.0 . . . . . . . . . . . . A . 24 VAL HG13 . . . . . . . . . rr_2ajo 1 . 1 . 405 . 1 1 24 VAL HG21 H 11.866 -1.001 2.226 . . . 1.0 . . . . . . . . . . . . A . 24 VAL HG21 . . . . . . . . . rr_2ajo 1 . 1 . 406 . 1 1 24 VAL HG22 H 12.492 -2.387 3.120 . . . 1.0 . . . . . . . . . . . . A . 24 VAL HG22 . . . . . . . . . rr_2ajo 1 . 1 . 407 . 1 1 24 VAL HG23 H 10.895 -2.466 2.374 . . . 1.0 . . . . . . . . . . . . A . 24 VAL HG23 . . . . . . . . . rr_2ajo 1 . 1 . 408 . 1 1 24 VAL N N 13.558 -0.539 0.379 . . . 1.0 . . . . . . . . . . . . A . 24 VAL N . . . . . . . . . rr_2ajo 1 . 1 . 409 . 1 1 24 VAL O O 15.676 -3.257 -0.165 . . . 1.0 . . . . . . . . . . . . A . 24 VAL O . . . . . . . . . rr_2ajo 1 . 1 . 410 . 1 1 25 LEU C C 15.928 -2.210 -3.352 . . . 1.0 . . . . . . . . . . . . A . 25 LEU C . . . . . . . . . rr_2ajo 1 . 1 . 411 . 1 1 25 LEU CA C 14.876 -3.162 -2.755 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CA . . . . . . . . . rr_2ajo 1 . 1 . 412 . 1 1 25 LEU CB C 13.776 -3.460 -3.780 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CB . . . . . . . . . rr_2ajo 1 . 1 . 413 . 1 1 25 LEU CD1 C 13.520 -5.948 -3.801 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD1 . . . . . . . . . rr_2ajo 1 . 1 . 414 . 1 1 25 LEU CD2 C 13.523 -4.675 -5.950 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD2 . . . . . . . . . rr_2ajo 1 . 1 . 415 . 1 1 25 LEU CG C 14.113 -4.746 -4.539 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CG . . . . . . . . . rr_2ajo 1 . 1 . 416 . 1 1 25 LEU H H 13.346 -2.008 -1.755 . . . 1.0 . . . . . . . . . . . . A . 25 LEU H . . . . . . . . . rr_2ajo 1 . 1 . 417 . 1 1 25 LEU HA H 15.342 -4.083 -2.442 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HA . . . . . . . . . rr_2ajo 1 . 1 . 418 . 1 1 25 LEU HB2 H 12.831 -3.579 -3.269 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB2 . . . . . . . . . rr_2ajo 1 . 1 . 419 . 1 1 25 LEU HB3 H 13.706 -2.640 -4.479 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB3 . . . . . . . . . rr_2ajo 1 . 1 . 420 . 1 1 25 LEU HD11 H 13.742 -5.869 -2.746 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD11 . . . . . . . . . rr_2ajo 1 . 1 . 421 . 1 1 25 LEU HD12 H 13.950 -6.858 -4.192 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD12 . . . . . . . . . rr_2ajo 1 . 1 . 422 . 1 1 25 LEU HD13 H 12.450 -5.966 -3.943 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD13 . . . . . . . . . rr_2ajo 1 . 1 . 423 . 1 1 25 LEU HD21 H 13.989 -3.866 -6.494 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD21 . . . . . . . . . rr_2ajo 1 . 1 . 424 . 1 1 25 LEU HD22 H 12.459 -4.502 -5.888 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD22 . . . . . . . . . rr_2ajo 1 . 1 . 425 . 1 1 25 LEU HD23 H 13.707 -5.607 -6.464 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD23 . . . . . . . . . rr_2ajo 1 . 1 . 426 . 1 1 25 LEU HG H 15.187 -4.857 -4.600 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HG . . . . . . . . . rr_2ajo 1 . 1 . 427 . 1 1 25 LEU N N 14.170 -2.521 -1.601 . . . 1.0 . . . . . . . . . . . . A . 25 LEU N . . . . . . . . . rr_2ajo 1 . 1 . 428 . 1 1 25 LEU O O 16.530 -2.507 -4.366 . . . 1.0 . . . . . . . . . . . . A . 25 LEU O . . . . . . . . . rr_2ajo 1 . 1 . 429 . 1 1 26 GLY C C 18.469 -0.191 -2.446 . . . 1.0 . . . . . . . . . . . . A . 26 GLY C . . . . . . . . . rr_2ajo 1 . 1 . 430 . 1 1 26 GLY CA C 17.169 -0.111 -3.264 . . . 1.0 . . . . . . . . . . . . A . 26 GLY CA . . . . . . . . . rr_2ajo 1 . 1 . 431 . 1 1 26 GLY H H 15.664 -0.851 -1.917 . . . 1.0 . . . . . . . . . . . . A . 26 GLY H . . . . . . . . . rr_2ajo 1 . 1 . 432 . 1 1 26 GLY HA2 H 17.381 -0.350 -4.296 . . . 1.0 . . . . . . . . . . . . A . 26 GLY HA2 . . . . . . . . . rr_2ajo 1 . 1 . 433 . 1 1 26 GLY HA3 H 16.775 0.892 -3.203 . . . 1.0 . . . . . . . . . . . . A . 26 GLY HA3 . . . . . . . . . rr_2ajo 1 . 1 . 434 . 1 1 26 GLY N N 16.156 -1.073 -2.732 . . . 1.0 . . . . . . . . . . . . A . 26 GLY N . . . . . . . . . rr_2ajo 1 . 1 . 435 . 1 1 26 GLY O O 19.462 0.411 -2.805 . . . 1.0 . . . . . . . . . . . . A . 26 GLY O . . . . . . . . . rr_2ajo 1 . 1 . 436 . 1 1 27 TRP C C 20.111 -2.505 -0.340 . . . 1.0 . . . . . . . . . . . . A . 27 TRP C . . . . . . . . . rr_2ajo 1 . 1 . 437 . 1 1 27 TRP CA C 19.721 -1.031 -0.527 . . . 1.0 . . . . . . . . . . . . A . 27 TRP CA . . . . . . . . . rr_2ajo 1 . 1 . 438 . 1 1 27 TRP CB C 19.364 -0.386 0.815 . . . 1.0 . . . . . . . . . . . . A . 27 TRP CB . . . . . . . . . rr_2ajo 1 . 1 . 439 . 1 1 27 TRP CD1 C 18.527 1.998 0.944 . . . 1.0 . . . . . . . . . . . . A . 27 TRP CD1 . . . . . . . . . rr_2ajo 1 . 1 . 440 . 1 1 27 TRP CD2 C 20.695 1.874 0.356 . . . 1.0 . . . . . . . . . . . . A . 27 TRP CD2 . . . . . . . . . rr_2ajo 1 . 1 . 441 . 1 1 27 TRP CE2 C 20.362 3.248 0.389 . . . 1.0 . . . . . . . . . . . . A . 27 TRP CE2 . . . . . . . . . rr_2ajo 1 . 1 . 442 . 1 1 27 TRP CE3 C 22.012 1.519 0.010 . . . 1.0 . . . . . . . . . . . . A . 27 TRP CE3 . . . . . . . . . rr_2ajo 1 . 1 . 443 . 1 1 27 TRP CG C 19.512 1.100 0.712 . . . 1.0 . . . . . . . . . . . . A . 27 TRP CG . . . . . . . . . rr_2ajo 1 . 1 . 444 . 1 1 27 TRP CH2 C 22.605 3.866 -0.252 . . . 1.0 . . . . . . . . . . . . A . 27 TRP CH2 . . . . . . . . . rr_2ajo 1 . 1 . 445 . 1 1 27 TRP CZ2 C 21.301 4.236 0.089 . . . 1.0 . . . . . . . . . . . . A . 27 TRP CZ2 . . . . . . . . . rr_2ajo 1 . 1 . 446 . 1 1 27 TRP CZ3 C 22.960 2.510 -0.292 . . . 1.0 . . . . . . . . . . . . A . 27 TRP CZ3 . . . . . . . . . rr_2ajo 1 . 1 . 447 . 1 1 27 TRP H H 17.670 -1.404 -1.077 . . . 1.0 . . . . . . . . . . . . A . 27 TRP H . . . . . . . . . rr_2ajo 1 . 1 . 448 . 1 1 27 TRP HA H 20.529 -0.488 -0.992 . . . 1.0 . . . . . . . . . . . . A . 27 TRP HA . . . . . . . . . rr_2ajo 1 . 1 . 449 . 1 1 27 TRP HB2 H 18.343 -0.630 1.070 . . . 1.0 . . . . . . . . . . . . A . 27 TRP HB2 . . . . . . . . . rr_2ajo 1 . 1 . 450 . 1 1 27 TRP HB3 H 20.026 -0.762 1.581 . . . 1.0 . . . . . . . . . . . . A . 27 TRP HB3 . . . . . . . . . rr_2ajo 1 . 1 . 451 . 1 1 27 TRP HD1 H 17.514 1.759 1.232 . . . 1.0 . . . . . . . . . . . . A . 27 TRP HD1 . . . . . . . . . rr_2ajo 1 . 1 . 452 . 1 1 27 TRP HE1 H 18.519 4.104 0.857 . . . 1.0 . . . . . . . . . . . . A . 27 TRP HE1 . . . . . . . . . rr_2ajo 1 . 1 . 453 . 1 1 27 TRP HE3 H 22.296 0.477 -0.024 . . . 1.0 . . . . . . . . . . . . A . 27 TRP HE3 . . . . . . . . . rr_2ajo 1 . 1 . 454 . 1 1 27 TRP HH2 H 23.338 4.623 -0.486 . . . 1.0 . . . . . . . . . . . . A . 27 TRP HH2 . . . . . . . . . rr_2ajo 1 . 1 . 455 . 1 1 27 TRP HZ2 H 21.023 5.279 0.122 . . . 1.0 . . . . . . . . . . . . A . 27 TRP HZ2 . . . . . . . . . rr_2ajo 1 . 1 . 456 . 1 1 27 TRP HZ3 H 23.968 2.227 -0.557 . . . 1.0 . . . . . . . . . . . . A . 27 TRP HZ3 . . . . . . . . . rr_2ajo 1 . 1 . 457 . 1 1 27 TRP N N 18.478 -0.924 -1.354 . . . 1.0 . . . . . . . . . . . . A . 27 TRP N . . . . . . . . . rr_2ajo 1 . 1 . 458 . 1 1 27 TRP NE1 N 19.030 3.273 0.753 . . . 1.0 . . . . . . . . . . . . A . 27 TRP NE1 . . . . . . . . . rr_2ajo 1 . 1 . 459 . 1 1 27 TRP O O 20.226 -2.995 0.769 . . . 1.0 . . . . . . . . . . . . A . 27 TRP O . . . . . . . . . rr_2ajo 1 . 1 . 460 . 1 1 28 ALA C C 22.162 -4.847 -1.759 . . . 1.0 . . . . . . . . . . . . A . 28 ALA C . . . . . . . . . rr_2ajo 1 . 1 . 461 . 1 1 28 ALA CA C 20.702 -4.654 -1.327 . . . 1.0 . . . . . . . . . . . . A . 28 ALA CA . . . . . . . . . rr_2ajo 1 . 1 . 462 . 1 1 28 ALA CB C 19.755 -5.385 -2.283 . . . 1.0 . . . . . . . . . . . . A . 28 ALA CB . . . . . . . . . rr_2ajo 1 . 1 . 463 . 1 1 28 ALA H H 20.218 -2.790 -2.302 . . . 1.0 . . . . . . . . . . . . A . 28 ALA H . . . . . . . . . rr_2ajo 1 . 1 . 464 . 1 1 28 ALA HA H 20.557 -5.015 -0.321 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HA . . . . . . . . . rr_2ajo 1 . 1 . 465 . 1 1 28 ALA HB1 H 18.745 -5.326 -1.905 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HB1 . . . . . . . . . rr_2ajo 1 . 1 . 466 . 1 1 28 ALA HB2 H 20.050 -6.421 -2.361 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HB2 . . . . . . . . . rr_2ajo 1 . 1 . 467 . 1 1 28 ALA HB3 H 19.802 -4.924 -3.259 . . . 1.0 . . . . . . . . . . . . A . 28 ALA HB3 . . . . . . . . . rr_2ajo 1 . 1 . 468 . 1 1 28 ALA N N 20.316 -3.211 -1.423 . . . 1.0 . . . . . . . . . . . . A . 28 ALA N . . . . . . . . . rr_2ajo 1 . 1 . 469 . 1 1 28 ALA O O 22.524 -4.351 -2.815 . . . 1.0 . . . . . . . . . . . . A . 28 ALA O . . . . . . . . . rr_2ajo 1 . 1 . 470 . 1 1 28 ALA OXT O 22.895 -5.487 -1.023 . . . 1.0 . . . . . . . . . . . . A . 28 ALA OXT . . . . . . . . . rr_2ajo 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_2ajo _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 2ajo.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_2ajo 1 1 2ajo.mr . . XPLOR/CNS 2 distance NOE simple 134 rr_2ajo 1 1 2ajo.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_2ajo 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_2ajo _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 2 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_2ajo 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 SER HA H . . . 1 1 2 2 GLY H H . . . . . 2.8 1.8 3.1 . . . . . A . 1 SER HA . . A . 2 GLY H . . . 1 . HA . . . . . 2 . HN . . rr_2ajo 1 2 1 OR . 1 1 2 2 GLY H H . . . 1 1 1 1 SER HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 2 GLY H . . A . 1 SER HB2 . . . 2 . HN . . . . . 1 . HB# . . rr_2ajo 1 2 2 OR . 1 1 2 2 GLY H H . . . 1 1 1 1 SER HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 2 GLY H . . A . 1 SER HB3 . . . 2 . HN . . . . . 1 . HB# . . rr_2ajo 1 3 1 . . 1 1 2 2 GLY H H . . . 1 1 3 3 ASN H H . . . . . 3.5 1.8 3.9 . . . . . A . 2 GLY H . . A . 3 ASN H . . . 2 . HN . . . . . 3 . HN . . rr_2ajo 1 4 1 OR . 1 1 3 3 ASN H H . . . 1 1 2 2 GLY HA2 H . . . . . 2.8 1.8 4.1 . . . . . A . 3 ASN H . . A . 2 GLY HA2 . . . 3 . HN . . . . . 2 . HA# . . rr_2ajo 1 4 2 OR . 1 1 3 3 ASN H H . . . 1 1 2 2 GLY HA3 H . . . . . 2.8 1.8 4.1 . . . . . A . 3 ASN H . . A . 2 GLY HA3 . . . 3 . HN . . . . . 2 . HA# . . rr_2ajo 1 5 1 . . 1 1 3 3 ASN H H . . . 1 1 4 4 TYR H H . . . . . 2.8 1.8 3.1 . . . . . A . 3 ASN H . . A . 4 TYR H . . . 3 . HN . . . . . 4 . HN . . rr_2ajo 1 6 1 . . 1 1 4 4 TYR H H . . . 1 1 3 3 ASN HB3 H . . . . . 4.5 1.8 5.0 . . . . . A . 4 TYR H . . A . 3 ASN HB3 . . . 4 . HN . . . . . 3 . HB1 . . rr_2ajo 1 7 1 . . 1 1 4 4 TYR HA H . . . 1 1 5 5 VAL H H . . . . . 4.5 1.8 5.0 . . . . . A . 4 TYR HA . . A . 5 VAL H . . . 4 . HA . . . . . 5 . HN . . rr_2ajo 1 8 1 . . 1 1 5 5 VAL H H . . . 1 1 4 4 TYR HB2 H . . . . . 3.5 1.8 3.9 . . . . . A . 5 VAL H . . A . 4 TYR HB2 . . . 5 . HN . . . . . 4 . HB2 . . rr_2ajo 1 9 1 . . 1 1 5 5 VAL H H . . . 1 1 4 4 TYR HB3 H . . . . . 3.5 1.8 3.9 . . . . . A . 5 VAL H . . A . 4 TYR HB3 . . . 5 . HN . . . . . 4 . HB1 . . rr_2ajo 1 10 1 . . 1 1 4 4 TYR QE H . . . 1 1 5 5 VAL MG1 H . . . . . 3.5 1.8 6.9 . . . . . A . 4 TYR QE . . A . 5 VAL MG1 . . . 4 . HE* . . . . . 5 . HG1# . . rr_2ajo 1 11 1 . . 1 1 4 4 TYR HA H . . . 1 1 6 6 LEU H H . . . . . 4.5 1.8 5.0 . . . . . A . 4 TYR HA . . A . 6 LEU H . . . 4 . HA . . . . . 6 . HN . . rr_2ajo 1 12 1 . . 1 1 4 4 TYR HA H . . . 1 1 7 7 ASP H H . . . . . 3.5 1.8 3.9 . . . . . A . 4 TYR HA . . A . 7 ASP H . . . 4 . HA . . . . . 7 . HN . . rr_2ajo 1 13 1 . . 1 1 4 4 TYR HA H . . . 1 1 7 7 ASP HB2 H . . . . . 4.5 1.8 5.0 . . . . . A . 4 TYR HA . . A . 7 ASP HB2 . . . 4 . HA . . . . . 7 . HB2 . . rr_2ajo 1 14 1 . . 1 1 4 4 TYR HA H . . . 1 1 8 8 LEU H H . . . . . 4.5 1.8 5.0 . . . . . A . 4 TYR HA . . A . 8 LEU H . . . 4 . HA . . . . . 8 . HN . . rr_2ajo 1 15 1 OR . 1 1 4 4 TYR QD H . . . 1 1 8 8 LEU MD1 H . . . . . 3.5 1.8 7.3 . . . . . A . 4 TYR QD . . A . 8 LEU MD1 . . . 4 . HD* . . . . . 8 . HD* . . rr_2ajo 1 15 2 OR . 1 1 4 4 TYR QD H . . . 1 1 8 8 LEU MD2 H . . . . . 3.5 1.8 7.3 . . . . . A . 4 TYR QD . . A . 8 LEU MD2 . . . 4 . HD* . . . . . 8 . HD* . . rr_2ajo 1 16 1 OR . 1 1 4 4 TYR QE H . . . 1 1 8 8 LEU MD1 H . . . . . 4.5 1.8 8.3 . . . . . A . 4 TYR QE . . A . 8 LEU MD1 . . . 4 . HE* . . . . . 8 . HD* . . rr_2ajo 1 16 2 OR . 1 1 4 4 TYR QE H . . . 1 1 8 8 LEU MD2 H . . . . . 4.5 1.8 8.3 . . . . . A . 4 TYR QE . . A . 8 LEU MD2 . . . 4 . HE* . . . . . 8 . HD* . . rr_2ajo 1 17 1 . . 1 1 5 5 VAL H H . . . 1 1 6 6 LEU H H . . . . . 2.8 1.8 3.1 . . . . . A . 5 VAL H . . A . 6 LEU H . . . 5 . HN . . . . . 6 . HN . . rr_2ajo 1 18 1 . . 1 1 6 6 LEU H H . . . 1 1 5 5 VAL HA H . . . . . 2.8 1.8 3.1 . . . . . A . 6 LEU H . . A . 5 VAL HA . . . 6 . HN . . . . . 5 . HA . . rr_2ajo 1 19 1 . . 1 1 6 6 LEU H H . . . 1 1 5 5 VAL HB H . . . . . 2.8 1.8 3.1 . . . . . A . 6 LEU H . . A . 5 VAL HB . . . 6 . HN . . . . . 5 . HB . . rr_2ajo 1 20 1 . . 1 1 5 5 VAL MG1 H . . . 1 1 6 6 LEU H H . . . . . 4.5 1.8 7.0 . . . . . A . 5 VAL MG1 . . A . 6 LEU H . . . 5 . HG1# . . . . . 6 . HN . . rr_2ajo 1 21 1 . . 1 1 7 7 ASP H H . . . 1 1 5 5 VAL HA H . . . . . 4.5 1.8 5.0 . . . . . A . 7 ASP H . . A . 5 VAL HA . . . 7 . HN . . . . . 5 . HA . . rr_2ajo 1 22 1 . . 1 1 8 8 LEU H H . . . 1 1 5 5 VAL HA H . . . . . 3.5 1.8 3.9 . . . . . A . 8 LEU H . . A . 5 VAL HA . . . 8 . HN . . . . . 5 . HA . . rr_2ajo 1 23 1 OR . 1 1 5 5 VAL HA H . . . 1 1 8 8 LEU HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 5 VAL HA . . A . 8 LEU HB2 . . . 5 . HA . . . . . 8 . HB# . . rr_2ajo 1 23 2 OR . 1 1 5 5 VAL HA H . . . 1 1 8 8 LEU HB3 H . . . . . 2.8 1.8 4.1 . . . . . A . 5 VAL HA . . A . 8 LEU HB3 . . . 5 . HA . . . . . 8 . HB# . . rr_2ajo 1 24 1 . . 1 1 5 5 VAL HA H . . . 1 1 9 9 ILE H H . . . . . 4.5 1.8 5.0 . . . . . A . 5 VAL HA . . A . 9 ILE H . . . 5 . HA . . . . . 9 . HN . . rr_2ajo 1 25 1 . . 1 1 6 6 LEU H H . . . 1 1 7 7 ASP H H . . . . . 2.8 1.8 3.1 . . . . . A . 6 LEU H . . A . 7 ASP H . . . 6 . HN . . . . . 7 . HN . . rr_2ajo 1 26 1 . . 1 1 7 7 ASP H H . . . 1 1 6 6 LEU HA H . . . . . 2.8 1.8 3.1 . . . . . A . 7 ASP H . . A . 6 LEU HA . . . 7 . HN . . . . . 6 . HA . . rr_2ajo 1 27 1 . . 1 1 7 7 ASP H H . . . 1 1 6 6 LEU HB3 H . . . . . 3.5 1.8 3.9 . . . . . A . 7 ASP H . . A . 6 LEU HB3 . . . 7 . HN . . . . . 6 . HB1 . . rr_2ajo 1 28 1 . . 1 1 7 7 ASP H H . . . 1 1 6 6 LEU HB2 H . . . . . 3.5 1.8 3.9 . . . . . A . 7 ASP H . . A . 6 LEU HB2 . . . 7 . HN . . . . . 6 . HB2 . . rr_2ajo 1 29 1 . . 1 1 7 7 ASP H H . . . 1 1 6 6 LEU HG H . . . . . 4.5 1.8 5.0 . . . . . A . 7 ASP H . . A . 6 LEU HG . . . 7 . HN . . . . . 6 . HG . . rr_2ajo 1 30 1 . . 1 1 6 6 LEU H H . . . 1 1 8 8 LEU H H . . . . . 4.5 1.8 5.0 . . . . . A . 6 LEU H . . A . 8 LEU H . . . 6 . HN . . . . . 8 . HN . . rr_2ajo 1 31 1 . . 1 1 9 9 ILE H H . . . 1 1 6 6 LEU HA H . . . . . 3.5 1.8 3.9 . . . . . A . 9 ILE H . . A . 6 LEU HA . . . 9 . HN . . . . . 6 . HA . . rr_2ajo 1 32 1 . . 1 1 6 6 LEU HA H . . . 1 1 9 9 ILE HB H . . . . . 2.8 1.8 3.1 . . . . . A . 6 LEU HA . . A . 9 ILE HB . . . 6 . HA . . . . . 9 . HB . . rr_2ajo 1 33 1 . . 1 1 6 6 LEU HA H . . . 1 1 10 10 TYR H H . . . . . 4.5 1.8 5.0 . . . . . A . 6 LEU HA . . A . 10 TYR H . . . 6 . HA . . . . . 10 . HN . . rr_2ajo 1 34 1 . . 1 1 7 7 ASP H H . . . 1 1 8 8 LEU H H . . . . . 2.8 1.8 3.1 . . . . . A . 7 ASP H . . A . 8 LEU H . . . 7 . HN . . . . . 8 . HN . . rr_2ajo 1 35 1 . . 1 1 8 8 LEU H H . . . 1 1 7 7 ASP HA H . . . . . 4.5 1.8 5.0 . . . . . A . 8 LEU H . . A . 7 ASP HA . . . 8 . HN . . . . . 7 . HA . . rr_2ajo 1 36 1 . . 1 1 7 7 ASP HB2 H . . . 1 1 8 8 LEU H H . . . . . 4.5 1.8 5.0 . . . . . A . 7 ASP HB2 . . A . 8 LEU H . . . 7 . HB2 . . . . . 8 . HN . . rr_2ajo 1 37 1 . . 1 1 8 8 LEU H H . . . 1 1 7 7 ASP HB3 H . . . . . 3.5 1.8 3.9 . . . . . A . 8 LEU H . . A . 7 ASP HB3 . . . 8 . HN . . . . . 7 . HB1 . . rr_2ajo 1 38 1 . . 1 1 10 10 TYR H H . . . 1 1 7 7 ASP HA H . . . . . 4.5 1.8 5.0 . . . . . A . 10 TYR H . . A . 7 ASP HA . . . 10 . HN . . . . . 7 . HA . . rr_2ajo 1 39 1 OR . 1 1 7 7 ASP HA H . . . 1 1 10 10 TYR HB2 H . . . . . 3.5 1.8 4.9 . . . . . A . 7 ASP HA . . A . 10 TYR HB2 . . . 7 . HA . . . . . 10 . HB# . . rr_2ajo 1 39 2 OR . 1 1 7 7 ASP HA H . . . 1 1 10 10 TYR HB3 H . . . . . 3.5 1.8 4.9 . . . . . A . 7 ASP HA . . A . 10 TYR HB3 . . . 7 . HA . . . . . 10 . HB# . . rr_2ajo 1 40 1 . . 1 1 8 8 LEU H H . . . 1 1 9 9 ILE H H . . . . . 2.8 1.8 3.1 . . . . . A . 8 LEU H . . A . 9 ILE H . . . 8 . HN . . . . . 9 . HN . . rr_2ajo 1 41 1 . . 1 1 9 9 ILE H H . . . 1 1 8 8 LEU HA H . . . . . 3.5 1.8 3.9 . . . . . A . 9 ILE H . . A . 8 LEU HA . . . 9 . HN . . . . . 8 . HA . . rr_2ajo 1 42 1 OR . 1 1 9 9 ILE H H . . . 1 1 8 8 LEU HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 9 ILE H . . A . 8 LEU HB2 . . . 9 . HN . . . . . 8 . HB# . . rr_2ajo 1 42 2 OR . 1 1 8 8 LEU HB3 H . . . 1 1 9 9 ILE H H . . . . . 2.8 1.8 4.1 . . . . . A . 8 LEU HB3 . . A . 9 ILE H . . . 8 . HB# . . . . . 9 . HN . . rr_2ajo 1 43 1 . . 1 1 8 8 LEU HA H . . . 1 1 11 11 SER H H . . . . . 3.5 1.8 3.9 . . . . . A . 8 LEU HA . . A . 11 SER H . . . 8 . HA . . . . . 11 . HN . . rr_2ajo 1 44 1 . . 1 1 8 8 LEU HA H . . . 1 1 11 11 SER HB3 H . . . . . 2.8 1.8 3.1 . . . . . A . 8 LEU HA . . A . 11 SER HB3 . . . 8 . HA . . . . . 11 . HB1 . . rr_2ajo 1 45 1 . . 1 1 8 8 LEU HA H . . . 1 1 11 11 SER HB2 H . . . . . 2.8 1.8 3.1 . . . . . A . 8 LEU HA . . A . 11 SER HB2 . . . 8 . HA . . . . . 11 . HB2 . . rr_2ajo 1 46 1 OR . 1 1 11 11 SER H H . . . 1 1 8 8 LEU MD1 H . . . . . 4.5 1.8 7.4 . . . . . A . 11 SER H . . A . 8 LEU MD1 . . . 11 . HN . . . . . 8 . HD* . . rr_2ajo 1 46 2 OR . 1 1 8 8 LEU MD2 H . . . 1 1 11 11 SER H H . . . . . 4.5 1.8 7.4 . . . . . A . 8 LEU MD2 . . A . 11 SER H . . . 8 . HD* . . . . . 11 . HN . . rr_2ajo 1 47 1 . . 1 1 9 9 ILE H H . . . 1 1 10 10 TYR H H . . . . . 2.8 1.8 3.1 . . . . . A . 9 ILE H . . A . 10 TYR H . . . 9 . HN . . . . . 10 . HN . . rr_2ajo 1 48 1 . . 1 1 10 10 TYR H H . . . 1 1 9 9 ILE HA H . . . . . 4.5 1.8 5.0 . . . . . A . 10 TYR H . . A . 9 ILE HA . . . 10 . HN . . . . . 9 . HA . . rr_2ajo 1 49 1 . . 1 1 9 9 ILE HB H . . . 1 1 10 10 TYR H H . . . . . 3.5 1.8 3.9 . . . . . A . 9 ILE HB . . A . 10 TYR H . . . 9 . HB . . . . . 10 . HN . . rr_2ajo 1 50 1 . . 1 1 9 9 ILE HA H . . . 1 1 12 12 LEU H H . . . . . 3.5 1.8 3.9 . . . . . A . 9 ILE HA . . A . 12 LEU H . . . 9 . HA . . . . . 12 . HN . . rr_2ajo 1 51 1 . . 1 1 9 9 ILE HA H . . . 1 1 12 12 LEU HB3 H . . . . . 3.5 1.8 3.9 . . . . . A . 9 ILE HA . . A . 12 LEU HB3 . . . 9 . HA . . . . . 12 . HB1 . . rr_2ajo 1 52 1 . . 1 1 9 9 ILE HA H . . . 1 1 12 12 LEU HB2 H . . . . . 3.5 1.8 3.9 . . . . . A . 9 ILE HA . . A . 12 LEU HB2 . . . 9 . HA . . . . . 12 . HB2 . . rr_2ajo 1 53 1 . . 1 1 10 10 TYR H H . . . 1 1 11 11 SER H H . . . . . 2.8 1.8 3.1 . . . . . A . 10 TYR H . . A . 11 SER H . . . 10 . HN . . . . . 11 . HN . . rr_2ajo 1 54 1 . . 1 1 11 11 SER H H . . . 1 1 10 10 TYR HA H . . . . . 3.5 1.8 3.9 . . . . . A . 11 SER H . . A . 10 TYR HA . . . 11 . HN . . . . . 10 . HA . . rr_2ajo 1 55 1 OR . 1 1 11 11 SER H H . . . 1 1 10 10 TYR HB2 H . . . . . 3.5 1.8 4.9 . . . . . A . 11 SER H . . A . 10 TYR HB2 . . . 11 . HN . . . . . 10 . HB# . . rr_2ajo 1 55 2 OR . 1 1 10 10 TYR HB3 H . . . 1 1 11 11 SER H H . . . . . 3.5 1.8 4.9 . . . . . A . 10 TYR HB3 . . A . 11 SER H . . . 10 . HB# . . . . . 11 . HN . . rr_2ajo 1 56 1 . . 1 1 10 10 TYR HA H . . . 1 1 13 13 HIS HB2 H . . . . . 3.5 1.8 3.9 . . . . . A . 10 TYR HA . . A . 13 HIS HB2 . . . 10 . HA . . . . . 13 . HB2 . . rr_2ajo 1 57 1 . . 1 1 10 10 TYR HA H . . . 1 1 13 13 HIS HB3 H . . . . . 3.5 1.8 3.9 . . . . . A . 10 TYR HA . . A . 13 HIS HB3 . . . 10 . HA . . . . . 13 . HB1 . . rr_2ajo 1 58 1 . . 1 1 10 10 TYR QE H . . . 1 1 13 13 HIS HA H . . . . . 4.5 1.8 5.9 . . . . . A . 10 TYR QE . . A . 13 HIS HA . . . 10 . HE* . . . . . 13 . HA . . rr_2ajo 1 59 1 . . 1 1 11 11 SER HA H . . . 1 1 14 14 LYS H H . . . . . 3.5 1.8 3.9 . . . . . A . 11 SER HA . . A . 14 LYS H . . . 11 . HA . . . . . 14 . HN . . rr_2ajo 1 60 1 OR . 1 1 11 11 SER HA H . . . 1 1 14 14 LYS HB2 H . . . . . 3.5 1.8 4.9 . . . . . A . 11 SER HA . . A . 14 LYS HB2 . . . 11 . HA . . . . . 14 . HB# . . rr_2ajo 1 60 2 OR . 1 1 11 11 SER HA H . . . 1 1 14 14 LYS HB3 H . . . . . 3.5 1.8 4.9 . . . . . A . 11 SER HA . . A . 14 LYS HB3 . . . 11 . HA . . . . . 14 . HB# . . rr_2ajo 1 61 1 . . 1 1 12 12 LEU HA H . . . 1 1 13 13 HIS H H . . . . . 2.8 1.8 3.1 . . . . . A . 12 LEU HA . . A . 13 HIS H . . . 12 . HA . . . . . 13 . HN . . rr_2ajo 1 62 1 . . 1 1 12 12 LEU HA H . . . 1 1 15 15 GLN H H . . . . . 3.5 1.8 3.9 . . . . . A . 12 LEU HA . . A . 15 GLN H . . . 12 . HA . . . . . 15 . HN . . rr_2ajo 1 63 1 . . 1 1 14 14 LYS H H . . . 1 1 13 13 HIS H H . . . . . 2.8 1.8 3.1 . . . . . A . 14 LYS H . . A . 13 HIS H . . . 14 . HN . . . . . 13 . HN . . rr_2ajo 1 64 1 . . 1 1 13 13 HIS HA H . . . 1 1 14 14 LYS H H . . . . . 3.5 1.8 3.9 . . . . . A . 13 HIS HA . . A . 14 LYS H . . . 13 . HA . . . . . 14 . HN . . rr_2ajo 1 65 1 . . 1 1 13 13 HIS HB3 H . . . 1 1 14 14 LYS H H . . . . . 3.5 1.8 3.9 . . . . . A . 13 HIS HB3 . . A . 14 LYS H . . . 13 . HB1 . . . . . 14 . HN . . rr_2ajo 1 66 1 . . 1 1 13 13 HIS HB2 H . . . 1 1 14 14 LYS H H . . . . . 4.5 1.8 5.0 . . . . . A . 13 HIS HB2 . . A . 14 LYS H . . . 13 . HB2 . . . . . 14 . HN . . rr_2ajo 1 67 1 OR . 1 1 13 13 HIS HD2 H . . . 1 1 14 14 LYS HG2 H . . . . . 4.5 1.8 5.9 . . . . . A . 13 HIS HD2 . . A . 14 LYS HG2 . . . 13 . HD2 . . . . . 14 . HG# . . rr_2ajo 1 67 2 OR . 1 1 13 13 HIS HD2 H . . . 1 1 14 14 LYS HG3 H . . . . . 4.5 1.8 5.9 . . . . . A . 13 HIS HD2 . . A . 14 LYS HG3 . . . 13 . HD2 . . . . . 14 . HG# . . rr_2ajo 1 68 1 . . 1 1 13 13 HIS H H . . . 1 1 15 15 GLN H H . . . . . 4.5 1.8 5.0 . . . . . A . 13 HIS H . . A . 15 GLN H . . . 13 . HN . . . . . 15 . HN . . rr_2ajo 1 69 1 . . 1 1 13 13 HIS HA H . . . 1 1 16 16 ILE H H . . . . . 4.5 1.8 5.0 . . . . . A . 13 HIS HA . . A . 16 ILE H . . . 13 . HA . . . . . 16 . HN . . rr_2ajo 1 70 1 . . 1 1 13 13 HIS HA H . . . 1 1 16 16 ILE HB H . . . . . 3.5 1.8 3.9 . . . . . A . 13 HIS HA . . A . 16 ILE HB . . . 13 . HA . . . . . 16 . HB . . rr_2ajo 1 71 1 . . 1 1 15 15 GLN H H . . . 1 1 14 14 LYS HA H . . . . . 2.8 1.8 3.1 . . . . . A . 15 GLN H . . A . 14 LYS HA . . . 15 . HN . . . . . 14 . HA . . rr_2ajo 1 72 1 OR . 1 1 15 15 GLN H H . . . 1 1 14 14 LYS HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 15 GLN H . . A . 14 LYS HB2 . . . 15 . HN . . . . . 14 . HB# . . rr_2ajo 1 72 2 OR . 1 1 14 14 LYS HB3 H . . . 1 1 15 15 GLN H H . . . . . 2.8 1.8 4.1 . . . . . A . 14 LYS HB3 . . A . 15 GLN H . . . 14 . HB# . . . . . 15 . HN . . rr_2ajo 1 73 1 . . 1 1 14 14 LYS HA H . . . 1 1 17 17 ASN H H . . . . . 2.8 1.8 3.1 . . . . . A . 14 LYS HA . . A . 17 ASN H . . . 14 . HA . . . . . 17 . HN . . rr_2ajo 1 74 1 . . 1 1 14 14 LYS HA H . . . 1 1 17 17 ASN HB2 H . . . . . 4.5 1.8 5.0 . . . . . A . 14 LYS HA . . A . 17 ASN HB2 . . . 14 . HA . . . . . 17 . HB2 . . rr_2ajo 1 75 1 . . 1 1 16 16 ILE H H . . . 1 1 15 15 GLN HB3 H . . . . . 2.8 1.8 3.1 . . . . . A . 16 ILE H . . A . 15 GLN HB3 . . . 16 . HN . . . . . 15 . HB1 . . rr_2ajo 1 76 1 . . 1 1 16 16 ILE H H . . . 1 1 15 15 GLN HB2 H . . . . . 2.8 1.8 3.1 . . . . . A . 16 ILE H . . A . 15 GLN HB2 . . . 16 . HN . . . . . 15 . HB2 . . rr_2ajo 1 77 1 . . 1 1 17 17 ASN H H . . . 1 1 15 15 GLN HA H . . . . . 4.5 1.8 5.0 . . . . . A . 17 ASN H . . A . 15 GLN HA . . . 17 . HN . . . . . 15 . HA . . rr_2ajo 1 78 1 . . 1 1 15 15 GLN HA H . . . 1 1 18 18 ARG H H . . . . . 4.5 1.8 5.0 . . . . . A . 15 GLN HA . . A . 18 ARG H . . . 15 . HA . . . . . 18 . HN . . rr_2ajo 1 79 1 . . 1 1 15 15 GLN HA H . . . 1 1 18 18 ARG HB3 H . . . . . 4.5 1.8 5.0 . . . . . A . 15 GLN HA . . A . 18 ARG HB3 . . . 15 . HA . . . . . 18 . HB1 . . rr_2ajo 1 80 1 . . 1 1 15 15 GLN HA H . . . 1 1 19 19 GLY H H . . . . . 4.5 1.8 5.0 . . . . . A . 15 GLN HA . . A . 19 GLY H . . . 15 . HA . . . . . 19 . HN . . rr_2ajo 1 81 1 . . 1 1 16 16 ILE H H . . . 1 1 17 17 ASN H H . . . . . 2.8 1.8 3.1 . . . . . A . 16 ILE H . . A . 17 ASN H . . . 16 . HN . . . . . 17 . HN . . rr_2ajo 1 82 1 . . 1 1 17 17 ASN H H . . . 1 1 16 16 ILE HA H . . . . . 2.8 1.8 3.1 . . . . . A . 17 ASN H . . A . 16 ILE HA . . . 17 . HN . . . . . 16 . HA . . rr_2ajo 1 83 1 . . 1 1 16 16 ILE HB H . . . 1 1 17 17 ASN H H . . . . . 2.8 1.8 3.1 . . . . . A . 16 ILE HB . . A . 17 ASN H . . . 16 . HB . . . . . 17 . HN . . rr_2ajo 1 84 1 . . 1 1 17 17 ASN H H . . . 1 1 16 16 ILE MG H . . . . . 3.5 1.8 5.9 . . . . . A . 17 ASN H . . A . 16 ILE MG . . . 17 . HN . . . . . 16 . HG2# . . rr_2ajo 1 85 1 . . 1 1 17 17 ASN H H . . . 1 1 16 16 ILE MD H . . . . . 4.5 1.8 7.0 . . . . . A . 17 ASN H . . A . 16 ILE MD . . . 17 . HN . . . . . 16 . HD1# . . rr_2ajo 1 86 1 . . 1 1 16 16 ILE HA H . . . 1 1 20 20 LEU H H . . . . . 4.5 1.8 5.0 . . . . . A . 16 ILE HA . . A . 20 LEU H . . . 16 . HA . . . . . 20 . HN . . rr_2ajo 1 87 1 . . 1 1 17 17 ASN H H . . . 1 1 18 18 ARG H H . . . . . 2.8 1.8 3.1 . . . . . A . 17 ASN H . . A . 18 ARG H . . . 17 . HN . . . . . 18 . HN . . rr_2ajo 1 88 1 . . 1 1 18 18 ARG H H . . . 1 1 17 17 ASN HB3 H . . . . . 2.8 1.8 3.1 . . . . . A . 18 ARG H . . A . 17 ASN HB3 . . . 18 . HN . . . . . 17 . HB1 . . rr_2ajo 1 89 1 . . 1 1 18 18 ARG H H . . . 1 1 19 19 GLY H H . . . . . 2.8 1.8 3.1 . . . . . A . 18 ARG H . . A . 19 GLY H . . . 18 . HN . . . . . 19 . HN . . rr_2ajo 1 90 1 . . 1 1 19 19 GLY H H . . . 1 1 18 18 ARG HA H . . . . . 3.5 1.8 3.9 . . . . . A . 19 GLY H . . A . 18 ARG HA . . . 19 . HN . . . . . 18 . HA . . rr_2ajo 1 91 1 . . 1 1 18 18 ARG HB3 H . . . 1 1 19 19 GLY H H . . . . . 2.8 1.8 3.1 . . . . . A . 18 ARG HB3 . . A . 19 GLY H . . . 18 . HB1 . . . . . 19 . HN . . rr_2ajo 1 92 1 . . 1 1 18 18 ARG HA H . . . 1 1 21 21 LYS H H . . . . . 4.5 1.8 5.0 . . . . . A . 18 ARG HA . . A . 21 LYS H . . . 18 . HA . . . . . 21 . HN . . rr_2ajo 1 93 1 . . 1 1 21 21 LYS H H . . . 1 1 20 20 LEU HA H . . . . . 2.8 1.8 3.1 . . . . . A . 21 LYS H . . A . 20 LEU HA . . . 21 . HN . . . . . 20 . HA . . rr_2ajo 1 94 1 . . 1 1 20 20 LEU H H . . . 1 1 22 22 LYS H H . . . . . 4.5 1.8 5.0 . . . . . A . 20 LEU H . . A . 22 LYS H . . . 20 . HN . . . . . 22 . HN . . rr_2ajo 1 95 1 . . 1 1 20 20 LEU HA H . . . 1 1 22 22 LYS H H . . . . . 4.5 1.8 5.0 . . . . . A . 20 LEU HA . . A . 22 LYS H . . . 20 . HA . . . . . 22 . HN . . rr_2ajo 1 96 1 . . 1 1 20 20 LEU HA H . . . 1 1 23 23 ILE H H . . . . . 4.5 1.8 5.0 . . . . . A . 20 LEU HA . . A . 23 ILE H . . . 20 . HA . . . . . 23 . HN . . rr_2ajo 1 97 1 . . 1 1 20 20 LEU HA H . . . 1 1 23 23 ILE HB H . . . . . 3.5 1.8 3.9 . . . . . A . 20 LEU HA . . A . 23 ILE HB . . . 20 . HA . . . . . 23 . HB . . rr_2ajo 1 98 1 . . 1 1 21 21 LYS H H . . . 1 1 22 22 LYS H H . . . . . 2.8 1.8 3.1 . . . . . A . 21 LYS H . . A . 22 LYS H . . . 21 . HN . . . . . 22 . HN . . rr_2ajo 1 99 1 . . 1 1 22 22 LYS H H . . . 1 1 21 21 LYS HA H . . . . . 3.5 1.8 3.9 . . . . . A . 22 LYS H . . A . 21 LYS HA . . . 22 . HN . . . . . 21 . HA . . rr_2ajo 1 100 1 OR . 1 1 22 22 LYS H H . . . 1 1 21 21 LYS HB2 H . . . . . 3.5 1.8 4.9 . . . . . A . 22 LYS H . . A . 21 LYS HB2 . . . 22 . HN . . . . . 21 . HB# . . rr_2ajo 1 100 2 OR . 1 1 22 22 LYS H H . . . 1 1 21 21 LYS HB3 H . . . . . 3.5 1.8 4.9 . . . . . A . 22 LYS H . . A . 21 LYS HB3 . . . 22 . HN . . . . . 21 . HB# . . rr_2ajo 1 101 1 . . 1 1 21 21 LYS H H . . . 1 1 23 23 ILE H H . . . . . 4.5 1.8 5.0 . . . . . A . 21 LYS H . . A . 23 ILE H . . . 21 . HN . . . . . 23 . HN . . rr_2ajo 1 102 1 . . 1 1 21 21 LYS H H . . . 1 1 24 24 VAL MG1 H . . . . . 3.5 1.8 5.9 . . . . . A . 21 LYS H . . A . 24 VAL MG1 . . . 21 . HN . . . . . 24 . HG1# . . rr_2ajo 1 103 1 . . 1 1 21 21 LYS HA H . . . 1 1 24 24 VAL H H . . . . . 3.5 1.8 3.9 . . . . . A . 21 LYS HA . . A . 24 VAL H . . . 21 . HA . . . . . 24 . HN . . rr_2ajo 1 104 1 . . 1 1 21 21 LYS HA H . . . 1 1 24 24 VAL HB H . . . . . 3.5 1.8 3.9 . . . . . A . 21 LYS HA . . A . 24 VAL HB . . . 21 . HA . . . . . 24 . HB . . rr_2ajo 1 105 1 . . 1 1 21 21 LYS HA H . . . 1 1 24 24 VAL MG1 H . . . . . 3.5 1.8 5.9 . . . . . A . 21 LYS HA . . A . 24 VAL MG1 . . . 21 . HA . . . . . 24 . HG1# . . rr_2ajo 1 106 1 . . 1 1 21 21 LYS HA H . . . 1 1 25 25 LEU H H . . . . . 4.5 1.8 5.0 . . . . . A . 21 LYS HA . . A . 25 LEU H . . . 21 . HA . . . . . 25 . HN . . rr_2ajo 1 107 1 . . 1 1 22 22 LYS H H . . . 1 1 23 23 ILE H H . . . . . 2.8 1.8 3.1 . . . . . A . 22 LYS H . . A . 23 ILE H . . . 22 . HN . . . . . 23 . HN . . rr_2ajo 1 108 1 . . 1 1 23 23 ILE H H . . . 1 1 22 22 LYS HA H . . . . . 4.5 1.8 5.0 . . . . . A . 23 ILE H . . A . 22 LYS HA . . . 23 . HN . . . . . 22 . HA . . rr_2ajo 1 109 1 OR . 1 1 23 23 ILE H H . . . 1 1 22 22 LYS HB2 H . . . . . 3.5 1.8 4.9 . . . . . A . 23 ILE H . . A . 22 LYS HB2 . . . 23 . HN . . . . . 22 . HB# . . rr_2ajo 1 109 2 OR . 1 1 23 23 ILE H H . . . 1 1 22 22 LYS HB3 H . . . . . 3.5 1.8 4.9 . . . . . A . 23 ILE H . . A . 22 LYS HB3 . . . 23 . HN . . . . . 22 . HB# . . rr_2ajo 1 110 1 . . 1 1 22 22 LYS H H . . . 1 1 24 24 VAL H H . . . . . 4.5 1.8 5.0 . . . . . A . 22 LYS H . . A . 24 VAL H . . . 22 . HN . . . . . 24 . HN . . rr_2ajo 1 111 1 . . 1 1 24 24 VAL H H . . . 1 1 22 22 LYS HA H . . . . . 4.5 1.8 5.0 . . . . . A . 24 VAL H . . A . 22 LYS HA . . . 24 . HN . . . . . 22 . HA . . rr_2ajo 1 112 1 . . 1 1 25 25 LEU H H . . . 1 1 22 22 LYS HA H . . . . . 3.5 1.8 4.0 . . . . . A . 25 LEU H . . A . 22 LYS HA . . . 25 . HN . . . . . 22 . HA . . rr_2ajo 1 113 1 . . 1 1 23 23 ILE H H . . . 1 1 24 24 VAL H H . . . . . 2.8 1.8 3.1 . . . . . A . 23 ILE H . . A . 24 VAL H . . . 23 . HN . . . . . 24 . HN . . rr_2ajo 1 114 1 . . 1 1 24 24 VAL H H . . . 1 1 23 23 ILE HA H . . . . . 3.5 1.8 3.9 . . . . . A . 24 VAL H . . A . 23 ILE HA . . . 24 . HN . . . . . 23 . HA . . rr_2ajo 1 115 1 . . 1 1 23 23 ILE HB H . . . 1 1 24 24 VAL H H . . . . . 2.8 1.8 3.1 . . . . . A . 23 ILE HB . . A . 24 VAL H . . . 23 . HB . . . . . 24 . HN . . rr_2ajo 1 116 1 . . 1 1 24 24 VAL H H . . . 1 1 23 23 ILE HG13 H . . . . . 4.5 1.8 5.0 . . . . . A . 24 VAL H . . A . 23 ILE HG13 . . . 24 . HN . . . . . 23 . HG11 . . rr_2ajo 1 117 1 . . 1 1 23 23 ILE H H . . . 1 1 25 25 LEU H H . . . . . 4.5 1.8 5.0 . . . . . A . 23 ILE H . . A . 25 LEU H . . . 23 . HN . . . . . 25 . HN . . rr_2ajo 1 118 1 . . 1 1 23 23 ILE HA H . . . 1 1 26 26 GLY H H . . . . . 4.5 1.8 5.0 . . . . . A . 23 ILE HA . . A . 26 GLY H . . . 23 . HA . . . . . 26 . HN . . rr_2ajo 1 119 1 . . 1 1 24 24 VAL H H . . . 1 1 25 25 LEU H H . . . . . 2.8 1.8 3.1 . . . . . A . 24 VAL H . . A . 25 LEU H . . . 24 . HN . . . . . 25 . HN . . rr_2ajo 1 120 1 . . 1 1 25 25 LEU H H . . . 1 1 24 24 VAL HA H . . . . . 3.5 1.8 3.9 . . . . . A . 25 LEU H . . A . 24 VAL HA . . . 25 . HN . . . . . 24 . HA . . rr_2ajo 1 121 1 . . 1 1 24 24 VAL HB H . . . 1 1 25 25 LEU H H . . . . . 2.8 1.8 3.1 . . . . . A . 24 VAL HB . . A . 25 LEU H . . . 24 . HB . . . . . 25 . HN . . rr_2ajo 1 122 1 . . 1 1 25 25 LEU H H . . . 1 1 24 24 VAL MG2 H . . . . . 4.5 1.8 7.0 . . . . . A . 25 LEU H . . A . 24 VAL MG2 . . . 25 . HN . . . . . 24 . HG2# . . rr_2ajo 1 123 1 . . 1 1 26 26 GLY H H . . . 1 1 24 24 VAL HA H . . . . . 4.5 1.8 5.0 . . . . . A . 26 GLY H . . A . 24 VAL HA . . . 26 . HN . . . . . 24 . HA . . rr_2ajo 1 124 1 . . 1 1 24 24 VAL HA H . . . 1 1 27 27 TRP H H . . . . . 4.5 1.8 5.0 . . . . . A . 24 VAL HA . . A . 27 TRP H . . . 24 . HA . . . . . 27 . HN . . rr_2ajo 1 125 1 OR . 1 1 24 24 VAL HA H . . . 1 1 27 27 TRP HB2 H . . . . . 3.5 1.8 4.9 . . . . . A . 24 VAL HA . . A . 27 TRP HB2 . . . 24 . HA . . . . . 27 . HB# . . rr_2ajo 1 125 2 OR . 1 1 24 24 VAL HA H . . . 1 1 27 27 TRP HB3 H . . . . . 3.5 1.8 4.9 . . . . . A . 24 VAL HA . . A . 27 TRP HB3 . . . 24 . HA . . . . . 27 . HB# . . rr_2ajo 1 126 1 . . 1 1 25 25 LEU H H . . . 1 1 26 26 GLY H H . . . . . 2.8 1.8 3.1 . . . . . A . 25 LEU H . . A . 26 GLY H . . . 25 . HN . . . . . 26 . HN . . rr_2ajo 1 127 1 . . 1 1 26 26 GLY H H . . . 1 1 25 25 LEU HA H . . . . . 3.5 1.8 3.9 . . . . . A . 26 GLY H . . A . 25 LEU HA . . . 26 . HN . . . . . 25 . HA . . rr_2ajo 1 128 1 . . 1 1 26 26 GLY H H . . . 1 1 25 25 LEU HB3 H . . . . . 4.5 1.8 5.0 . . . . . A . 26 GLY H . . A . 25 LEU HB3 . . . 26 . HN . . . . . 25 . HB1 . . rr_2ajo 1 129 1 . . 1 1 26 26 GLY H H . . . 1 1 25 25 LEU HB2 H . . . . . 4.5 1.8 5.0 . . . . . A . 26 GLY H . . A . 25 LEU HB2 . . . 26 . HN . . . . . 25 . HB2 . . rr_2ajo 1 130 1 . . 1 1 26 26 GLY H H . . . 1 1 27 27 TRP H H . . . . . 2.8 1.8 3.1 . . . . . A . 26 GLY H . . A . 27 TRP H . . . 26 . HN . . . . . 27 . HN . . rr_2ajo 1 131 1 . . 1 1 27 27 TRP H H . . . 1 1 26 26 GLY HA3 H . . . . . 4.5 1.8 5.0 . . . . . A . 27 TRP H . . A . 26 GLY HA3 . . . 27 . HN . . . . . 26 . HA1 . . rr_2ajo 1 132 1 . . 1 1 27 27 TRP H H . . . 1 1 26 26 GLY HA2 H . . . . . 3.5 1.8 3.9 . . . . . A . 27 TRP H . . A . 26 GLY HA2 . . . 27 . HN . . . . . 26 . HA2 . . rr_2ajo 1 133 1 . . 1 1 27 27 TRP H H . . . 1 1 28 28 ALA H H . . . . . 2.8 1.8 3.1 . . . . . A . 27 TRP H . . A . 28 ALA H . . . 27 . HN . . . . . 28 . HN . . rr_2ajo 1 134 1 OR . 1 1 28 28 ALA H H . . . 1 1 27 27 TRP HB2 H . . . . . 2.8 1.8 4.1 . . . . . A . 28 ALA H . . A . 27 TRP HB2 . . . 28 . HN . . . . . 27 . HB# . . rr_2ajo 1 134 2 OR . 1 1 27 27 TRP HB3 H . . . 1 1 28 28 ALA H H . . . . . 2.8 1.8 4.1 . . . . . A . 27 TRP HB3 . . A . 28 ALA H . . . 27 . HB# . . . . . 28 . HN . . rr_2ajo 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; ============================================================= ?? RESTRAINTS FROM s26a_sds25C_noesy.list ? SEQUENCE SGNYVLDLIYSLHKQINRGLKKIVLGWA ?? DISTANCE RESTRAINTS 0.00e+00 < volume <= 1.50e+03 ---> retraints = 4.5 A 1.50e+03 < volume <= 4.00e+03 ---> retraints = 3.5 A 4.00e+03 < volume ---> retraints = 2.8 A ?? CORRECTION FACTOR FOR PSEUDO-ATOMS -CH2 = + 1.0 A (ex.: HB# in F) -Haromatic = + 1.0 A (ex.: HD* in Y) -CH3# = +2.0 A (ex.: HG2# in I) -CH3* = +2.4 A (ex.: HD* in L) ============================================================= <========== S1 ==========> ; 2 1 18 29 rr_2ajo 1 2 '<========== G2 ==========>' 21 1 21 29 rr_2ajo 1 3 '<========== N3 ==========>' 24 1 24 29 rr_2ajo 1 4 '<========== Y4 ==========>' 27 1 27 29 rr_2ajo 1 5 'assign (resid 4 and name HE* )(resid 5 and name HA ) 3.5 1.7 1.4' 31 1 31 80 rr_2ajo 1 6 '<========== V5 ==========>' 39 1 39 29 rr_2ajo 1 7 '<========== L6 ==========>' 48 1 48 29 rr_2ajo 1 8 '<========== D7 ==========>' 58 1 58 29 rr_2ajo 1 9 '<========== L8 ==========>' 65 1 65 29 rr_2ajo 1 10 ; !!!! 2.8 1.0 2.7 <========== I9 ==========> ; 72 80 73 29 rr_2ajo 1 11 '<========== Y10 ==========>' 80 1 80 30 rr_2ajo 1 12 '<========== S11 ==========>' 87 1 87 30 rr_2ajo 1 13 '<========== L12 ==========>' 90 1 90 30 rr_2ajo 1 14 '<========== H13 ==========>' 93 1 93 30 rr_2ajo 1 15 '<========== K14 ==========>' 102 1 102 30 rr_2ajo 1 16 '<========== Q15 ==========>' 107 1 107 30 rr_2ajo 1 17 '<========== I16 ==========>' 114 1 114 30 rr_2ajo 1 18 '<========== N17 ==========>' 121 1 121 30 rr_2ajo 1 19 '<========== R18 ==========>' 124 1 124 30 rr_2ajo 1 20 ; <========== G19 ==========> <========== L20 ==========> ; 129 1 130 30 rr_2ajo 1 21 '<========== K21 ==========>' 136 1 136 30 rr_2ajo 1 22 '<========== K22 ==========>' 146 1 146 30 rr_2ajo 1 23 '<========== I23 ==========>' 153 1 153 30 rr_2ajo 1 24 ; assign (resid 23 and name HG2# )(resid 24 and name HN ) 3.5 1.7 2.4 assign (resid 23 and name HD1# )(resid 24 and name HN ) 3.5 1.7 2.4 ; 158 1 159 80 rr_2ajo 1 25 '<========== V24 ==========>' 162 1 162 30 rr_2ajo 1 26 ; !! 3.5 1.7 2.4 assign (resid 24 and name HN )(resid 27 and name HZ2 ) 3.5 1.7 0.4 ; 166 80 167 80 rr_2ajo 1 27 ; assign (resid 24 and name HA )(resid 27 and name HZ2 ) 4.5 2.7 0.5 assign (resid 24 and name HG2# )(resid 27 and name HZ2 ) 4.5 2.7 2.5 <========== L25 ==========> ; 171 1 173 30 rr_2ajo 1 28 '<========== G26 ==========>' 178 1 178 30 rr_2ajo 1 29 '<========== W27 ==========>' 182 1 182 30 rr_2ajo 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_2ajo _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 MEMBRANE PROTEIN 02-AUG-05 2AJO *TITLE NMR STRUCTURE OF THE IN-PLANE MEMBRANE ANCHOR DOMAIN [1-28] *TITLE 2 OF THE MONOTOPIC NONSTRUCTURAL PROTEIN 5A (NS5A) FROM THE *TITLE 3 BOVINE VIRAL DIARRHEA VIRUS (BVDV) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: NONSTRUCTURAL PROTEIN 5A; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: BVDV NS5A; *COMPND 5 SYNONYM: NS5A; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE *SOURCE 4 SEQUENCE IS NATURALLY FOUND IN BOVINE VIRAL DIARRHEA VIRUS *SOURCE 5 1, STRAIN CP7 *KEYWDS IN-PLANE MEMBRANE ANCHOR DOMAIN, AMPHIPATHIC ALPHA-HELIX *EXPDTA NMR *AUTHOR N.SAPAY, R.MONTSERRET, C.CHIPOT, V.BRASS, D.MORADPOUR, *AUTHOR 2 G.DELEAGE, F.PENIN *REVDAT 1 23-AUG-05 2AJO 0' save_