data_c18861_2m1f ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c18861_2m1f _Entry.Title ; NMR Structure of Antiamoebin I (peptaibol antibiotic) bound to DMPC/DHPC bicelles ; _Entry.Version_type original _Entry.Submission_date 2012-11-27 _Entry.Accession_date 2012-11-27 _Entry.Last_release_date 2012-12-04 _Entry.Original_release_date 2012-12-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.31 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Zakhar Shenkarev . O. . c18861_2m1f 2 Alexander Paramonov . S. . c18861_2m1f 3 Albina Gizatullina . K. . c18861_2m1f stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c18861_2m1f stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . c18861_2m1f antibiotic . c18861_2m1f membrane-active . c18861_2m1f peptaibol . c18861_2m1f stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c18861_2m1f stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 64 c18861_2m1f '1H chemical shifts' 113 c18861_2m1f '15N chemical shifts' 14 c18861_2m1f stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-12-04 2012-11-27 original author . c18861_2m1f stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c18861_2m1f _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Spatial structure of Antiamoebin I in DMPC/DHPC bicelles' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Zakhar Shenkarev . O. . c18861_2m1f 1 2 Alexander Paramonov . S. . c18861_2m1f 1 3 Albina Gizatullina . K. . c18861_2m1f 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c18861_2m1f _Assembly.ID 1 _Assembly.Name 'Antiamoebin I' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'Antiamoebin I' 1 $ANTIAMOEBIN_I A . yes native no no . . . c18861_2m1f 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ANTIAMOEBIN_I _Entity.Sf_category entity _Entity.Sf_framecode ANTIAMOEBIN_I _Entity.Entry_ID c18861_2m1f _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ANTIAMOEBIN_I _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code XFXXXXGLXXXQXXXPX _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1628.970 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID yes PDB 1JOH . . . . . . . . . . . . . . . . c18861_2m1f 1 yes PDB 1OB4 . . . . . . . . . . . . . . . . c18861_2m1f 1 yes PDB 1OB6 . . . . . . . . . . . . . . . . c18861_2m1f 1 yes PDB 1OB7 . . . . . . . . . . . . . . . . c18861_2m1f 1 yes PDB 1DLZ . . . . . . . . . . . . . . . . c18861_2m1f 1 yes PDB 1IH9 . . . . . . . . . . . . . . . . c18861_2m1f 1 yes PDB 1R9U . . . . . . . . . . . . . . . . c18861_2m1f 1 stop_ 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 . ACE . c18861_2m1f 1 2 . PHE . c18861_2m1f 1 3 . AIB . c18861_2m1f 1 4 . AIB . c18861_2m1f 1 5 . AIB . c18861_2m1f 1 6 . DIV . c18861_2m1f 1 7 . GLY . c18861_2m1f 1 8 . LEU . c18861_2m1f 1 9 . AIB . c18861_2m1f 1 10 . AIB . c18861_2m1f 1 11 . HYP . c18861_2m1f 1 12 . GLN . c18861_2m1f 1 13 . DIV . c18861_2m1f 1 14 . HYP . c18861_2m1f 1 15 . AIB . c18861_2m1f 1 16 . PRO . c18861_2m1f 1 17 . PHL . c18861_2m1f 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 . ACE 1 1 c18861_2m1f 1 . PHE 2 2 c18861_2m1f 1 . AIB 3 3 c18861_2m1f 1 . AIB 4 4 c18861_2m1f 1 . AIB 5 5 c18861_2m1f 1 . DIV 6 6 c18861_2m1f 1 . GLY 7 7 c18861_2m1f 1 . LEU 8 8 c18861_2m1f 1 . AIB 9 9 c18861_2m1f 1 . AIB 10 10 c18861_2m1f 1 . HYP 11 11 c18861_2m1f 1 . GLN 12 12 c18861_2m1f 1 . DIV 13 13 c18861_2m1f 1 . HYP 14 14 c18861_2m1f 1 . AIB 15 15 c18861_2m1f 1 . PRO 16 16 c18861_2m1f 1 . PHL 17 17 c18861_2m1f 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c18861_2m1f _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ANTIAMOEBIN_I . 45245 organism . 'Emericellopsis Minima' 'Emericellopsis minima' . . Eukaryota Fungi Emericellopsis Minima . . . . . . . . . . . . . . . . . . . . . c18861_2m1f 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c18861_2m1f _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ANTIAMOEBIN_I . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Emericellopsis Minima' . . c18861_2m1f 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID c18861_2m1f _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 c18861_2m1f ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 c18861_2m1f ACE CC=O SMILES_CANONICAL CACTVS 3.341 c18861_2m1f ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c18861_2m1f ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 c18861_2m1f ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 c18861_2m1f ACE O=CC SMILES ACDLabs 10.04 c18861_2m1f ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 c18861_2m1f ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c18861_2m1f ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . c18861_2m1f ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . c18861_2m1f ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . c18861_2m1f ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . c18861_2m1f ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . c18861_2m1f ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . c18861_2m1f ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . c18861_2m1f ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . c18861_2m1f ACE 2 . SING C CH3 no N 2 . c18861_2m1f ACE 3 . SING C H no N 3 . c18861_2m1f ACE 4 . SING CH3 H1 no N 4 . c18861_2m1f ACE 5 . SING CH3 H2 no N 5 . c18861_2m1f ACE 6 . SING CH3 H3 no N 6 . c18861_2m1f ACE stop_ save_ save_chem_comp_AIB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AIB _Chem_comp.Entry_ID c18861_2m1f _Chem_comp.ID AIB _Chem_comp.Provenance PDB _Chem_comp.Name 'ALPHA-AMINOISOBUTYRIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code AIB _Chem_comp.PDB_code AIB _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code A _Chem_comp.Three_letter_code AIB _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 7 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID ALA _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H9 N O2' _Chem_comp.Formula_weight 103.120 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AMT _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c18861_2m1f AIB CC(C)(C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c18861_2m1f AIB CC(C)(N)C(O)=O SMILES CACTVS 3.341 c18861_2m1f AIB CC(C)(N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c18861_2m1f AIB FUOOLUPWFVMBKG-UHFFFAOYSA-N InChIKey InChI 1.03 c18861_2m1f AIB InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) InChI InChI 1.03 c18861_2m1f AIB O=C(O)C(N)(C)C SMILES ACDLabs 10.04 c18861_2m1f AIB stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-amino-2-methyl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c18861_2m1f AIB 2-methyl-L-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 c18861_2m1f AIB stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . 45.865 . 2.301 . -3.116 . 0.144 -0.009 -0.847 3 . c18861_2m1f AIB CA CA CA CA . C . . N 0 . . . 1 no no . . . . 46.920 . 3.266 . -2.573 . -0.053 0.002 0.646 2 . c18861_2m1f AIB CB1 CB1 CB1 CB1 . C . . N 0 . . . 1 no no . . . . 47.457 . 4.132 . -3.656 . 1.126 0.715 1.311 6 . c18861_2m1f AIB CB2 CB2 CB2 CB2 . C . . N 0 . . . 1 no no . . . . 46.329 . 4.215 . -1.516 . -0.136 -1.435 1.161 7 . c18861_2m1f AIB H H H 1HN . H . . N 0 . . . 1 no no . . . . 48.768 . 3.105 . -1.601 . -1.199 1.649 0.612 8 . c18861_2m1f AIB H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 48.457 . 1.787 . -2.620 . -2.030 0.272 0.430 9 . c18861_2m1f AIB HB11 HB11 HB11 1HB1 . H . . N 0 . . . 0 no no . . . . 46.620 . 4.719 . -4.101 . 0.983 0.723 2.391 11 . c18861_2m1f AIB HB12 HB12 HB12 2HB1 . H . . N 0 . . . 0 no no . . . . 48.291 . 4.782 . -3.304 . 2.050 0.189 1.071 12 . c18861_2m1f AIB HB13 HB13 HB13 3HB1 . H . . N 0 . . . 0 no no . . . . 48.022 . 3.551 . -4.422 . 1.185 1.739 0.944 13 . c18861_2m1f AIB HB21 HB21 HB21 1HB2 . H . . N 0 . . . 0 no no . . . . 45.492 . 4.802 . -1.961 . 0.787 -1.961 0.921 14 . c18861_2m1f AIB HB22 HB22 HB22 2HB2 . H . . N 0 . . . 0 no no . . . . 46.015 . 3.672 . -0.593 . -0.279 -1.426 2.242 15 . c18861_2m1f AIB HB23 HB23 HB23 3HB2 . H . . N 0 . . . 0 no no . . . . 47.106 . 4.871 . -1.060 . -0.976 -1.943 0.687 16 . c18861_2m1f AIB HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 45.480 . 0.694 . -4.145 . -0.792 -0.010 -2.624 10 . c18861_2m1f AIB N N N N . N . . N 0 . . . 1 no no . . . . 48.065 . 2.462 . -1.964 . -1.298 0.711 0.969 1 . c18861_2m1f AIB O O O O1 . O . . N 0 . . . 1 no no . . . . 44.700 . 2.587 . -2.746 . 1.261 -0.025 -1.308 4 . c18861_2m1f AIB OXT OXT OXT O2 . O . . N 0 . . . 1 no yes . . . . 46.136 . 1.294 . -3.808 . -0.919 -0.003 -1.665 5 . c18861_2m1f AIB stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c18861_2m1f AIB 2 . SING N H no N 2 . c18861_2m1f AIB 3 . SING N H2 no N 3 . c18861_2m1f AIB 4 . SING CA C no N 4 . c18861_2m1f AIB 5 . SING CA CB1 no N 5 . c18861_2m1f AIB 6 . SING CA CB2 no N 6 . c18861_2m1f AIB 7 . DOUB C O no N 7 . c18861_2m1f AIB 8 . SING C OXT no N 8 . c18861_2m1f AIB 9 . SING OXT HO2 no N 9 . c18861_2m1f AIB 10 . SING CB1 HB11 no N 10 . c18861_2m1f AIB 11 . SING CB1 HB12 no N 11 . c18861_2m1f AIB 12 . SING CB1 HB13 no N 12 . c18861_2m1f AIB 13 . SING CB2 HB21 no N 13 . c18861_2m1f AIB 14 . SING CB2 HB22 no N 14 . c18861_2m1f AIB 15 . SING CB2 HB23 no N 15 . c18861_2m1f AIB stop_ save_ save_chem_comp_DIV _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DIV _Chem_comp.Entry_ID c18861_2m1f _Chem_comp.ID DIV _Chem_comp.Provenance PDB _Chem_comp.Name D-ISOVALINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DIV _Chem_comp.PDB_code DIV _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code V _Chem_comp.Three_letter_code DIV _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 8 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H11 N O2' _Chem_comp.Formula_weight 117.146 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag yes _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1JOH _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC[C@](C)(C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c18861_2m1f DIV CCC(C)(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c18861_2m1f DIV CC[C](C)(N)C(O)=O SMILES CACTVS 3.341 c18861_2m1f DIV CC[C@@](C)(N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c18861_2m1f DIV GCHPUFAZSONQIV-RXMQYKEDSA-N InChIKey InChI 1.03 c18861_2m1f DIV InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1 InChI InChI 1.03 c18861_2m1f DIV O=C(O)C(N)(C)CC SMILES ACDLabs 10.04 c18861_2m1f DIV stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-2-amino-2-methyl-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c18861_2m1f DIV D-isovaline 'SYSTEMATIC NAME' ACDLabs 10.04 c18861_2m1f DIV stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . -6.229 . 12.824 . 8.969 . -1.189 -0.259 -0.031 6 . c18861_2m1f DIV CA CA CA CA . C . . R 0 . . . 1 no no . . . . -5.419 . 11.605 . 8.616 . 0.231 0.232 0.088 2 . c18861_2m1f DIV CB1 CB1 CB1 CB1 . C . . N 0 . . . 1 no no . . . . -6.309 . 10.714 . 7.757 . 1.193 -0.879 -0.339 3 . c18861_2m1f DIV CB2 CB2 CB2 CB2 . C . . N 0 . . . 1 no no . . . . -5.067 . 10.879 . 9.967 . 0.516 0.623 1.539 5 . c18861_2m1f DIV CG1 CG1 CG1 CG1 . C . . N 0 . . . 1 no no . . . . -5.691 . 9.373 . 7.401 . 2.634 -0.380 -0.219 4 . c18861_2m1f DIV H H H 1HN . H . . N 0 . . . 1 no no . . . . -4.305 . 11.921 . 6.947 . 1.401 1.632 -0.749 9 . c18861_2m1f DIV H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . -3.762 . 12.724 . 8.261 . 0.221 1.100 -1.722 10 . c18861_2m1f DIV HB11 HB11 HB11 1HB1 . H . . N 0 . . . 0 no no . . . . -7.236 . 10.521 . 8.317 . 0.990 -1.157 -1.374 11 . c18861_2m1f DIV HB12 HB12 HB12 2HB1 . H . . N 0 . . . 0 no no . . . . -6.476 . 11.249 . 6.810 . 1.053 -1.747 0.304 12 . c18861_2m1f DIV HB21 HB21 HB21 1HB2 . H . . N 0 . . . 0 no no . . . . -4.985 . 9.796 . 9.791 . 1.543 0.978 1.625 16 . c18861_2m1f DIV HB22 HB22 HB22 2HB2 . H . . N 0 . . . 0 no no . . . . -4.110 . 11.262 . 10.350 . -0.169 1.414 1.844 17 . c18861_2m1f DIV HB23 HB23 HB23 3HB2 . H . . N 0 . . . 0 no no . . . . -5.861 . 11.071 . 10.704 . 0.376 -0.246 2.183 18 . c18861_2m1f DIV HG11 HG11 HG11 1HG1 . H . . N 0 . . . 0 no no . . . . -5.542 . 9.315 . 6.313 . 2.773 0.488 -0.862 13 . c18861_2m1f DIV HG12 HG12 HG12 2HG1 . H . . N 0 . . . 0 no no . . . . -4.721 . 9.270 . 7.910 . 2.837 -0.102 0.816 14 . c18861_2m1f DIV HG13 HG13 HG13 3HG1 . H . . N 0 . . . 0 no no . . . . -6.363 . 8.563 . 7.722 . 3.319 -1.172 -0.523 15 . c18861_2m1f DIV HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . . . . . . . -3.101 0.303 -0.282 19 . c18861_2m1f DIV N N N N . N . . N 0 . . . 1 no no . . . . -4.148 . 11.862 . 7.933 . 0.419 1.403 -0.780 1 . c18861_2m1f DIV O O O O . O . . N 0 . . . 1 no no . . . . -7.475 . 12.754 . 8.957 . -1.426 -1.442 0.031 7 . c18861_2m1f DIV OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -2.190 0.618 -0.206 8 . c18861_2m1f DIV stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c18861_2m1f DIV 2 . SING N H no N 2 . c18861_2m1f DIV 3 . SING N H2 no N 3 . c18861_2m1f DIV 4 . SING CA CB1 no N 4 . c18861_2m1f DIV 5 . SING CA CB2 no N 5 . c18861_2m1f DIV 6 . SING CA C no N 6 . c18861_2m1f DIV 7 . SING CB1 CG1 no N 7 . c18861_2m1f DIV 8 . SING CB1 HB11 no N 8 . c18861_2m1f DIV 9 . SING CB1 HB12 no N 9 . c18861_2m1f DIV 10 . SING CG1 HG11 no N 10 . c18861_2m1f DIV 11 . SING CG1 HG12 no N 11 . c18861_2m1f DIV 12 . SING CG1 HG13 no N 12 . c18861_2m1f DIV 13 . SING CB2 HB21 no N 13 . c18861_2m1f DIV 14 . SING CB2 HB22 no N 14 . c18861_2m1f DIV 15 . SING CB2 HB23 no N 15 . c18861_2m1f DIV 16 . DOUB C O no N 16 . c18861_2m1f DIV 17 . SING C OXT no N 17 . c18861_2m1f DIV 18 . SING OXT HXT no N 18 . c18861_2m1f DIV stop_ save_ save_chem_comp_HYP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HYP _Chem_comp.Entry_ID c18861_2m1f _Chem_comp.ID HYP _Chem_comp.Provenance PDB _Chem_comp.Name 4-HYDROXYPROLINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code HYP _Chem_comp.PDB_code HYP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code P _Chem_comp.Three_letter_code HYP _Chem_comp.Number_atoms_all 18 _Chem_comp.Number_atoms_nh 9 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID PRO _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms HYDROXYPROLINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O3' _Chem_comp.Formula_weight 131.130 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1C(CNC1C(=O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 c18861_2m1f HYP C1[C@H](CN[C@@H]1C(=O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c18861_2m1f HYP InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 InChI InChI 1.03 c18861_2m1f HYP O[C@H]1CN[C@@H](C1)C(O)=O SMILES_CANONICAL CACTVS 3.341 c18861_2m1f HYP O[CH]1CN[CH](C1)C(O)=O SMILES CACTVS 3.341 c18861_2m1f HYP O=C(O)C1NCC(O)C1 SMILES ACDLabs 10.04 c18861_2m1f HYP PMMYEEVYMWASQN-DMTCNVIQSA-N InChIKey InChI 1.03 c18861_2m1f HYP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c18861_2m1f HYP (4R)-4-hydroxy-L-proline 'SYSTEMATIC NAME' ACDLabs 10.04 c18861_2m1f HYP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . -1.447 . 15.609 . 43.030 . -1.811 -0.072 -0.013 3 . c18861_2m1f HYP CA CA CA CA . C . . S 0 . . . 1 no no . . . . -2.955 . 15.768 . 43.044 . -0.384 -0.003 -0.493 2 . c18861_2m1f HYP CB CB CB CB . C . . N 0 . . . 1 no no . . . . -3.408 . 16.578 . 41.829 . 0.515 -0.924 0.359 5 . c18861_2m1f HYP CD CD CD CD . C . . N 0 . . . 1 no no . . . . -4.068 . 17.803 . 43.753 . 1.640 1.159 -0.271 7 . c18861_2m1f HYP CG CG CG CG . C . . R 0 . . . 1 no no . . . . -4.437 . 17.482 . 42.330 . 1.847 -0.159 0.505 6 . c18861_2m1f HYP H H H H . H . . N 0 . . . 1 no yes . . . . -3.980 . 16.047 . 44.765 . -0.107 1.981 -1.028 10 . c18861_2m1f HYP HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.385 . 14.756 . 43.068 . -0.325 -0.278 -1.546 11 . c18861_2m1f HYP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . -2.567 . 17.141 . 41.398 . 0.066 -1.092 1.337 12 . c18861_2m1f HYP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . -3.790 . 15.930 . 41.026 . 0.678 -1.873 -0.153 13 . c18861_2m1f HYP HD1 HD1 HD1 HOD . H . . N 0 . . . 1 no no . . . . -5.999 . 16.666 . 43.181 . 3.780 -0.479 -0.009 17 . c18861_2m1f HYP HD22 HD22 HD22 1HD . H . . N 0 . . . 0 no no . . . . -4.956 . 18.005 . 44.370 . 2.018 1.065 -1.289 15 . c18861_2m1f HYP HD23 HD23 HD23 2HD . H . . N 0 . . . 0 no no . . . . -3.457 . 18.713 . 43.848 . 2.132 1.985 0.243 16 . c18861_2m1f HYP HG HG HG HG . H . . N 0 . . . 1 no no . . . . -4.508 . 18.399 . 41.726 . 2.052 0.048 1.555 14 . c18861_2m1f HYP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -0.027 . 14.511 . 42.499 . -3.520 -1.066 -0.098 18 . c18861_2m1f HYP N N N N . N . . N 0 . . . 1 no no . . . . -3.366 . 16.585 . 44.188 . 0.168 1.360 -0.282 1 . c18861_2m1f HYP O O O O . O . . N 0 . . . 1 no no . . . . -0.722 . 16.484 . 43.503 . -2.233 0.764 0.750 4 . c18861_2m1f HYP OD1 OD1 OD1 OD . O . . N 0 . . . 1 no no . . . . -5.693 . 16.815 . 42.294 . 2.917 -0.911 -0.071 8 . c18861_2m1f HYP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . -0.976 . 14.502 . 42.469 . -2.614 -1.063 -0.433 9 . c18861_2m1f HYP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c18861_2m1f HYP 2 . SING N CD no N 2 . c18861_2m1f HYP 3 . SING N H no N 3 . c18861_2m1f HYP 4 . SING CA C no N 4 . c18861_2m1f HYP 5 . SING CA CB no N 5 . c18861_2m1f HYP 6 . SING CA HA no N 6 . c18861_2m1f HYP 7 . DOUB C O no N 7 . c18861_2m1f HYP 8 . SING C OXT no N 8 . c18861_2m1f HYP 9 . SING CB CG no N 9 . c18861_2m1f HYP 10 . SING CB HB2 no N 10 . c18861_2m1f HYP 11 . SING CB HB3 no N 11 . c18861_2m1f HYP 12 . SING CG CD no N 12 . c18861_2m1f HYP 13 . SING CG OD1 no N 13 . c18861_2m1f HYP 14 . SING CG HG no N 14 . c18861_2m1f HYP 15 . SING CD HD22 no N 15 . c18861_2m1f HYP 16 . SING CD HD23 no N 16 . c18861_2m1f HYP 17 . SING OD1 HD1 no N 17 . c18861_2m1f HYP 18 . SING OXT HXT no N 18 . c18861_2m1f HYP stop_ save_ save_chem_comp_PHL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PHL _Chem_comp.Entry_ID c18861_2m1f _Chem_comp.ID PHL _Chem_comp.Provenance PDB _Chem_comp.Name L-PHENYLALANINOL _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code PHL _Chem_comp.PDB_code PHL _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code F _Chem_comp.Three_letter_code PHL _Chem_comp.Number_atoms_all 24 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID PHE _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H13 N O' _Chem_comp.Formula_weight 151.206 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1JOH _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1ccc(cc1)CC(CO)N SMILES 'OpenEye OEToolkits' 1.5.0 c18861_2m1f PHL c1ccc(cc1)C[C@@H](CO)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c18861_2m1f PHL InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1 InChI InChI 1.03 c18861_2m1f PHL N[C@H](CO)Cc1ccccc1 SMILES_CANONICAL CACTVS 3.341 c18861_2m1f PHL N[CH](CO)Cc1ccccc1 SMILES CACTVS 3.341 c18861_2m1f PHL OCC(N)Cc1ccccc1 SMILES ACDLabs 10.04 c18861_2m1f PHL STVVMTBJNDTZBF-VIFPVBQESA-N InChIKey InChI 1.03 c18861_2m1f PHL stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2S)-2-amino-3-phenyl-propan-1-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c18861_2m1f PHL (2S)-2-amino-3-phenylpropan-1-ol 'SYSTEMATIC NAME' ACDLabs 10.04 c18861_2m1f PHL stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . -11.017 . 18.626 . 10.000 . 3.022 -0.343 -0.414 3 . c18861_2m1f PHL CA CA CA CA . C . . S 0 . . . 1 no no . . . . -11.446 . 17.174 . 9.928 . 1.603 -0.089 0.101 2 . c18861_2m1f PHL CB CB CB CB . C . . N 0 . . . 1 no no . . . . -10.894 . 16.353 . 11.096 . 0.600 -0.326 -1.030 5 . c18861_2m1f PHL CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . -12.662 . 14.608 . 11.496 . -1.434 1.033 -0.503 7 . c18861_2m1f PHL CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . -10.525 . 13.900 . 10.713 . -1.458 -1.307 0.002 8 . c18861_2m1f PHL CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . -13.121 . 13.312 . 11.481 . -2.720 1.152 -0.011 9 . c18861_2m1f PHL CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . -10.955 . 12.597 . 10.731 . -2.744 -1.188 0.495 10 . c18861_2m1f PHL CG CG CG CG . C . . N 0 . . . 1 yes no . . . . -11.366 . 14.934 . 11.120 . -0.802 -0.196 -0.494 6 . c18861_2m1f PHL CZ CZ CZ CZ . C . . N 0 . . . 1 yes no . . . . -12.240 . 12.287 . 11.124 . -3.374 0.042 0.490 11 . c18861_2m1f PHL H H H HN1 . H . . N 0 . . . 1 no no . . . . -10.827 . 17.281 . 7.983 . 1.688 1.949 -0.178 12 . c18861_2m1f PHL H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . -10.060 . 16.130 . 8.850 . 0.586 1.474 0.973 13 . c18861_2m1f PHL HA HA HA HA . H . . N 0 . . . 1 no no . . . . -12.545 . 17.160 . 9.968 . 1.389 -0.769 0.925 14 . c18861_2m1f PHL HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . -9.797 . 16.345 . 11.017 . 0.758 0.412 -1.817 18 . c18861_2m1f PHL HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . -11.256 . 16.827 . 12.020 . 0.742 -1.327 -1.437 19 . c18861_2m1f PHL HC1 HC1 HC1 H1 . H . . N 0 . . . 1 no no . . . . -9.935 . 18.678 . 10.189 . 3.079 -1.344 -0.842 15 . c18861_2m1f PHL HC2 HC2 HC2 H2 . H . . N 0 . . . 1 no no . . . . -11.250 . 19.122 . 9.046 . 3.269 0.394 -1.178 16 . c18861_2m1f PHL HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . -13.330 . 15.396 . 11.810 . -0.923 1.900 -0.894 20 . c18861_2m1f PHL HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . -9.523 . 14.127 . 10.380 . -0.966 -2.269 0.005 21 . c18861_2m1f PHL HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . -14.145 . 13.090 . 11.741 . -3.214 2.113 -0.017 22 . c18861_2m1f PHL HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . -10.281 . 11.807 . 10.435 . -3.257 -2.056 0.882 23 . c18861_2m1f PHL HO HO HO HO . H . . N 0 . . . 1 no no . . . . -11.106 . 19.413 . 11.760 . 4.869 -0.385 0.416 17 . c18861_2m1f PHL HZ HZ HZ HZ . H . . N 0 . . . 1 no no . . . . -12.564 . 11.257 . 11.156 . -4.379 0.136 0.875 24 . c18861_2m1f PHL N N N N . N . . N 0 . . . 1 no no . . . . -10.941 . 16.569 . 8.676 . 1.494 1.299 0.569 1 . c18861_2m1f PHL O O O O . O . . N 0 . . . 1 no no . . . . -11.698 . 19.267 . 11.032 . 3.948 -0.235 0.669 4 . c18861_2m1f PHL stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c18861_2m1f PHL 2 . SING N H no N 2 . c18861_2m1f PHL 3 . SING N H2 no N 3 . c18861_2m1f PHL 4 . SING CA C no N 4 . c18861_2m1f PHL 5 . SING CA CB no N 5 . c18861_2m1f PHL 6 . SING CA HA no N 6 . c18861_2m1f PHL 7 . SING C O no N 7 . c18861_2m1f PHL 8 . SING C HC1 no N 8 . c18861_2m1f PHL 9 . SING C HC2 no N 9 . c18861_2m1f PHL 10 . SING O HO no N 10 . c18861_2m1f PHL 11 . SING CB CG no N 11 . c18861_2m1f PHL 12 . SING CB HB2 no N 12 . c18861_2m1f PHL 13 . SING CB HB3 no N 13 . c18861_2m1f PHL 14 . DOUB CG CD1 yes N 14 . c18861_2m1f PHL 15 . SING CG CD2 yes N 15 . c18861_2m1f PHL 16 . SING CD1 CE1 yes N 16 . c18861_2m1f PHL 17 . SING CD1 HD1 no N 17 . c18861_2m1f PHL 18 . DOUB CD2 CE2 yes N 18 . c18861_2m1f PHL 19 . SING CD2 HD2 no N 19 . c18861_2m1f PHL 20 . DOUB CE1 CZ yes N 20 . c18861_2m1f PHL 21 . SING CE1 HE1 no N 21 . c18861_2m1f PHL 22 . SING CE2 CZ yes N 22 . c18861_2m1f PHL 23 . SING CE2 HE2 no N 23 . c18861_2m1f PHL 24 . SING CZ HZ no N 24 . c18861_2m1f PHL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c18861_2m1f _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DHPC 'natural abundance' . . . . . . 120 . . mM . . . . c18861_2m1f 1 2 DMPC 'natural abundance' . . . . . . 30 . . mM . . . . c18861_2m1f 1 3 'acetic acid' 'natural abundance' . . . . . . 7.5 . . mM . . . . c18861_2m1f 1 4 'sodium acetate' 'natural abundance' . . . . . . 2.5 . . mM . . . . c18861_2m1f 1 5 'ANTIAMOEBIN I' '[U-100% 13C; U-100% 15N]' . . 1 $ANTIAMOEBIN_I . . 1 . . mM . . . . c18861_2m1f 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c18861_2m1f _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 313 . K c18861_2m1f 1 pH 5.1 . pH c18861_2m1f 1 pressure 1 . atm c18861_2m1f 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID c18861_2m1f _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c18861_2m1f 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c18861_2m1f 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c18861_2m1f _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c18861_2m1f 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c18861_2m1f 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID c18861_2m1f _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . c18861_2m1f 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' c18861_2m1f 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID c18861_2m1f _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . c18861_2m1f 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c18861_2m1f 4 'peak picking' c18861_2m1f 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c18861_2m1f _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c18861_2m1f _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . c18861_2m1f 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c18861_2m1f _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.X_ray_instrument_ID _Experiment.X_ray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18861_2m1f 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18861_2m1f 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18861_2m1f 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18861_2m1f 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18861_2m1f 1 6 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18861_2m1f 1 7 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18861_2m1f 1 8 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18861_2m1f 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID c18861_2m1f _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_L1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode L1 _Chem_shift_reference.Entry_ID c18861_2m1f _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . c18861_2m1f 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . c18861_2m1f 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . c18861_2m1f 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c18861_2m1f _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $L1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . c18861_2m1f 1 2 '2D 1H-13C HSQC aliphatic' . . . c18861_2m1f 1 3 '3D HNCO' . . . c18861_2m1f 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ACE C C 13 176.007 0.1 . 1 . . . A 1 ACE C . c18861_2m1f 1 2 . 1 1 1 1 ACE CH3 C 13 24.206 0.1 . 1 . . . A 1 ACE CA . c18861_2m1f 1 3 . 1 1 1 1 ACE H1 H 1 2.105 0.02 . 1 . . . A 1 ACE QA . c18861_2m1f 1 4 . 1 1 1 1 ACE H2 H 1 2.105 0.02 . 1 . . . A 1 ACE QA . c18861_2m1f 1 5 . 1 1 1 1 ACE H3 H 1 2.105 0.02 . 1 . . . A 1 ACE QA . c18861_2m1f 1 6 . 1 1 2 2 PHE H H 1 8.444 0.02 . 1 . . . A 2 PHE H . c18861_2m1f 1 7 . 1 1 2 2 PHE HA H 1 4.284 0.02 . 1 . . . A 2 PHE HA . c18861_2m1f 1 8 . 1 1 2 2 PHE HB2 H 1 3.145 0.02 . 1 . . . A 2 PHE HB2 . c18861_2m1f 1 9 . 1 1 2 2 PHE HB3 H 1 3.077 0.02 . 1 . . . A 2 PHE HB3 . c18861_2m1f 1 10 . 1 1 2 2 PHE C C 13 174.710 0.1 . 1 . . . A 2 PHE C . c18861_2m1f 1 11 . 1 1 2 2 PHE CA C 13 59.730 0.1 . 1 . . . A 2 PHE CA . c18861_2m1f 1 12 . 1 1 2 2 PHE CB C 13 39.004 0.1 . 1 . . . A 2 PHE CB . c18861_2m1f 1 13 . 1 1 2 2 PHE N N 15 126.457 0.1 . 1 . . . A 2 PHE N . c18861_2m1f 1 14 . 1 1 3 3 AIB C C 13 178.508 0.1 . 1 . . . A 3 AIB C . c18861_2m1f 1 15 . 1 1 3 3 AIB CA C 13 58.549 0.1 . 1 . . . A 3 AIB CA . c18861_2m1f 1 16 . 1 1 3 3 AIB CB1 C 13 25.521 0.1 . 1 . . . A 3 AIB CB1 . c18861_2m1f 1 17 . 1 1 3 3 AIB CB2 C 13 26.927 0.1 . 1 . . . A 3 AIB CB2 . c18861_2m1f 1 18 . 1 1 3 3 AIB H H 1 8.417 0.02 . 1 . . . A 3 AIB H . c18861_2m1f 1 19 . 1 1 3 3 AIB N N 15 130.821 0.1 . 1 . . . A 3 AIB N . c18861_2m1f 1 20 . 1 1 3 3 AIB HB11 H 1 1.345 0.02 . 1 . . . A 3 AIB QB1 . c18861_2m1f 1 21 . 1 1 3 3 AIB HB12 H 1 1.345 0.02 . 1 . . . A 3 AIB QB1 . c18861_2m1f 1 22 . 1 1 3 3 AIB HB13 H 1 1.345 0.02 . 1 . . . A 3 AIB QB1 . c18861_2m1f 1 23 . 1 1 3 3 AIB HB21 H 1 1.390 0.02 . 1 . . . A 3 AIB QB2 . c18861_2m1f 1 24 . 1 1 3 3 AIB HB22 H 1 1.390 0.02 . 1 . . . A 3 AIB QB2 . c18861_2m1f 1 25 . 1 1 3 3 AIB HB23 H 1 1.390 0.02 . 1 . . . A 3 AIB QB2 . c18861_2m1f 1 26 . 1 1 4 4 AIB C C 13 179.166 0.1 . 1 . . . A 4 AIB C . c18861_2m1f 1 27 . 1 1 4 4 AIB CA C 13 58.463 0.1 . 1 . . . A 4 AIB CA . c18861_2m1f 1 28 . 1 1 4 4 AIB CB1 C 13 24.894 0.1 . 1 . . . A 4 AIB CB1 . c18861_2m1f 1 29 . 1 1 4 4 AIB CB2 C 13 27.554 0.1 . 1 . . . A 4 AIB CB2 . c18861_2m1f 1 30 . 1 1 4 4 AIB H H 1 7.672 0.02 . 1 . . . A 4 AIB H . c18861_2m1f 1 31 . 1 1 4 4 AIB N N 15 126.759 0.1 . 1 . . . A 4 AIB N . c18861_2m1f 1 32 . 1 1 4 4 AIB HB11 H 1 1.436 0.02 . 1 . . . A 4 AIB QB1 . c18861_2m1f 1 33 . 1 1 4 4 AIB HB12 H 1 1.436 0.02 . 1 . . . A 4 AIB QB1 . c18861_2m1f 1 34 . 1 1 4 4 AIB HB13 H 1 1.436 0.02 . 1 . . . A 4 AIB QB1 . c18861_2m1f 1 35 . 1 1 4 4 AIB HB21 H 1 1.436 0.02 . 1 . . . A 4 AIB QB2 . c18861_2m1f 1 36 . 1 1 4 4 AIB HB22 H 1 1.436 0.02 . 1 . . . A 4 AIB QB2 . c18861_2m1f 1 37 . 1 1 4 4 AIB HB23 H 1 1.436 0.02 . 1 . . . A 4 AIB QB2 . c18861_2m1f 1 38 . 1 1 5 5 AIB C C 13 178.556 0.1 . 1 . . . A 5 AIB C . c18861_2m1f 1 39 . 1 1 5 5 AIB CA C 13 58.619 0.1 . 1 . . . A 5 AIB CA . c18861_2m1f 1 40 . 1 1 5 5 AIB CB1 C 13 25.098 0.1 . 1 . . . A 5 AIB CB1 . c18861_2m1f 1 41 . 1 1 5 5 AIB CB2 C 13 28.107 0.1 . 1 . . . A 5 AIB CB2 . c18861_2m1f 1 42 . 1 1 5 5 AIB H H 1 7.935 0.02 . 1 . . . A 5 AIB H . c18861_2m1f 1 43 . 1 1 5 5 AIB N N 15 127.651 0.1 . 1 . . . A 5 AIB N . c18861_2m1f 1 44 . 1 1 5 5 AIB HB11 H 1 1.458 0.02 . 1 . . . A 5 AIB QB1 . c18861_2m1f 1 45 . 1 1 5 5 AIB HB12 H 1 1.458 0.02 . 1 . . . A 5 AIB QB1 . c18861_2m1f 1 46 . 1 1 5 5 AIB HB13 H 1 1.458 0.02 . 1 . . . A 5 AIB QB1 . c18861_2m1f 1 47 . 1 1 5 5 AIB HB21 H 1 1.458 0.02 . 1 . . . A 5 AIB QB2 . c18861_2m1f 1 48 . 1 1 5 5 AIB HB22 H 1 1.458 0.02 . 1 . . . A 5 AIB QB2 . c18861_2m1f 1 49 . 1 1 5 5 AIB HB23 H 1 1.458 0.02 . 1 . . . A 5 AIB QB2 . c18861_2m1f 1 50 . 1 1 6 6 DIV C C 13 180.157 0.1 . 1 . . . A 6 DIV C . c18861_2m1f 1 51 . 1 1 6 6 DIV CA C 13 61.178 0.1 . 1 . . . A 6 DIV CA . c18861_2m1f 1 52 . 1 1 6 6 DIV CB1 C 13 28.497 0.1 . 1 . . . A 6 DIV CB1 . c18861_2m1f 1 53 . 1 1 6 6 DIV CB2 C 13 24.071 0.1 . 1 . . . A 6 DIV CB2 . c18861_2m1f 1 54 . 1 1 6 6 DIV CG1 C 13 7.219 0.1 . 1 . . . A 6 DIV CG1 . c18861_2m1f 1 55 . 1 1 6 6 DIV H H 1 7.830 0.02 . 1 . . . A 6 DIV H . c18861_2m1f 1 56 . 1 1 6 6 DIV HB11 H 1 2.235 0.02 . 1 . . . A 6 DIV HB12 . c18861_2m1f 1 57 . 1 1 6 6 DIV HB12 H 1 1.734 0.02 . 1 . . . A 6 DIV HB13 . c18861_2m1f 1 58 . 1 1 6 6 DIV N N 15 120.786 0.1 . 1 . . . A 6 DIV N . c18861_2m1f 1 59 . 1 1 6 6 DIV HB21 H 1 1.368 0.02 . 1 . . . A 6 DIV QB2 . c18861_2m1f 1 60 . 1 1 6 6 DIV HB22 H 1 1.368 0.02 . 1 . . . A 6 DIV QB2 . c18861_2m1f 1 61 . 1 1 6 6 DIV HB23 H 1 1.368 0.02 . 1 . . . A 6 DIV QB2 . c18861_2m1f 1 62 . 1 1 6 6 DIV HG11 H 1 0.758 0.02 . 1 . . . A 6 DIV QG1 . c18861_2m1f 1 63 . 1 1 6 6 DIV HG12 H 1 0.758 0.02 . 1 . . . A 6 DIV QG1 . c18861_2m1f 1 64 . 1 1 6 6 DIV HG13 H 1 0.758 0.02 . 1 . . . A 6 DIV QG1 . c18861_2m1f 1 65 . 1 1 7 7 GLY H H 1 8.023 0.02 . 1 . . . A 7 GLY H . c18861_2m1f 1 66 . 1 1 7 7 GLY HA2 H 1 3.916 0.02 . 1 . . . A 7 GLY HA2 . c18861_2m1f 1 67 . 1 1 7 7 GLY HA3 H 1 3.916 0.02 . 1 . . . A 7 GLY HA3 . c18861_2m1f 1 68 . 1 1 7 7 GLY C C 13 175.244 0.1 . 1 . . . A 7 GLY C . c18861_2m1f 1 69 . 1 1 7 7 GLY CA C 13 46.125 0.1 . 1 . . . A 7 GLY CA . c18861_2m1f 1 70 . 1 1 7 7 GLY N N 15 102.056 0.1 . 1 . . . A 7 GLY N . c18861_2m1f 1 71 . 1 1 8 8 LEU H H 1 7.939 0.02 . 1 . . . A 8 LEU H . c18861_2m1f 1 72 . 1 1 8 8 LEU HA H 1 4.254 0.02 . 1 . . . A 8 LEU HA . c18861_2m1f 1 73 . 1 1 8 8 LEU HB2 H 1 1.671 0.02 . 2 . . . A 8 LEU HB2 . c18861_2m1f 1 74 . 1 1 8 8 LEU HB3 H 1 1.809 0.02 . 2 . . . A 8 LEU HB3 . c18861_2m1f 1 75 . 1 1 8 8 LEU HG H 1 1.769 0.02 . 1 . . . A 8 LEU HG . c18861_2m1f 1 76 . 1 1 8 8 LEU HD11 H 1 0.952 0.02 . 2 . . . A 8 LEU HD11 . c18861_2m1f 1 77 . 1 1 8 8 LEU HD12 H 1 0.952 0.02 . 2 . . . A 8 LEU HD12 . c18861_2m1f 1 78 . 1 1 8 8 LEU HD13 H 1 0.952 0.02 . 2 . . . A 8 LEU HD13 . c18861_2m1f 1 79 . 1 1 8 8 LEU HD21 H 1 0.921 0.02 . 2 . . . A 8 LEU HD21 . c18861_2m1f 1 80 . 1 1 8 8 LEU HD22 H 1 0.921 0.02 . 2 . . . A 8 LEU HD22 . c18861_2m1f 1 81 . 1 1 8 8 LEU HD23 H 1 0.921 0.02 . 2 . . . A 8 LEU HD23 . c18861_2m1f 1 82 . 1 1 8 8 LEU C C 13 176.481 0.1 . 1 . . . A 8 LEU C . c18861_2m1f 1 83 . 1 1 8 8 LEU CA C 13 56.275 0.1 . 1 . . . A 8 LEU CA . c18861_2m1f 1 84 . 1 1 8 8 LEU CB C 13 41.930 0.1 . 1 . . . A 8 LEU CB . c18861_2m1f 1 85 . 1 1 8 8 LEU CG C 13 26.433 0.1 . 1 . . . A 8 LEU CG . c18861_2m1f 1 86 . 1 1 8 8 LEU CD1 C 13 24.348 0.1 . 1 . . . A 8 LEU CD1 . c18861_2m1f 1 87 . 1 1 8 8 LEU CD2 C 13 23.295 0.1 . 1 . . . A 8 LEU CD2 . c18861_2m1f 1 88 . 1 1 8 8 LEU N N 15 120.995 0.1 . 1 . . . A 8 LEU N . c18861_2m1f 1 89 . 1 1 9 9 AIB C C 13 178.713 0.1 . 1 . . . A 9 AIB C . c18861_2m1f 1 90 . 1 1 9 9 AIB CA C 13 58.680 0.1 . 1 . . . A 9 AIB CA . c18861_2m1f 1 91 . 1 1 9 9 AIB CB1 C 13 24.919 0.1 . 1 . . . A 9 AIB CB1 . c18861_2m1f 1 92 . 1 1 9 9 AIB CB2 C 13 28.937 0.1 . 1 . . . A 9 AIB CB2 . c18861_2m1f 1 93 . 1 1 9 9 AIB H H 1 7.464 0.02 . 1 . . . A 9 AIB H . c18861_2m1f 1 94 . 1 1 9 9 AIB N N 15 124.512 0.1 . 1 . . . A 9 AIB N . c18861_2m1f 1 95 . 1 1 9 9 AIB HB11 H 1 1.548 0.02 . 1 . . . A 9 AIB QB1 . c18861_2m1f 1 96 . 1 1 9 9 AIB HB12 H 1 1.548 0.02 . 1 . . . A 9 AIB QB1 . c18861_2m1f 1 97 . 1 1 9 9 AIB HB13 H 1 1.548 0.02 . 1 . . . A 9 AIB QB1 . c18861_2m1f 1 98 . 1 1 9 9 AIB HB21 H 1 1.464 0.02 . 1 . . . A 9 AIB QB2 . c18861_2m1f 1 99 . 1 1 9 9 AIB HB22 H 1 1.464 0.02 . 1 . . . A 9 AIB QB2 . c18861_2m1f 1 100 . 1 1 9 9 AIB HB23 H 1 1.464 0.02 . 1 . . . A 9 AIB QB2 . c18861_2m1f 1 101 . 1 1 10 10 AIB CA C 13 59.146 0.1 . 1 . . . A 10 AIB CA . c18861_2m1f 1 102 . 1 1 10 10 AIB CB1 C 13 27.709 0.1 . 1 . . . A 10 AIB CB1 . c18861_2m1f 1 103 . 1 1 10 10 AIB CB2 C 13 25.228 0.1 . 1 . . . A 10 AIB CB2 . c18861_2m1f 1 104 . 1 1 10 10 AIB H H 1 7.731 0.02 . 1 . . . A 10 AIB H . c18861_2m1f 1 105 . 1 1 10 10 AIB N N 15 127.758 0.1 . 1 . . . A 10 AIB N . c18861_2m1f 1 106 . 1 1 10 10 AIB HB11 H 1 1.504 0.02 . 1 . . . A 10 AIB QB1 . c18861_2m1f 1 107 . 1 1 10 10 AIB HB12 H 1 1.504 0.02 . 1 . . . A 10 AIB QB1 . c18861_2m1f 1 108 . 1 1 10 10 AIB HB13 H 1 1.504 0.02 . 1 . . . A 10 AIB QB1 . c18861_2m1f 1 109 . 1 1 10 10 AIB HB21 H 1 1.634 0.02 . 1 . . . A 10 AIB QB2 . c18861_2m1f 1 110 . 1 1 10 10 AIB HB22 H 1 1.634 0.02 . 1 . . . A 10 AIB QB2 . c18861_2m1f 1 111 . 1 1 10 10 AIB HB23 H 1 1.634 0.02 . 1 . . . A 10 AIB QB2 . c18861_2m1f 1 112 . 1 1 11 11 HYP C C 13 176.757 0.1 . 1 . . . A 11 HYP C . c18861_2m1f 1 113 . 1 1 11 11 HYP CA C 13 63.311 0.1 . 1 . . . A 11 HYP CA . c18861_2m1f 1 114 . 1 1 11 11 HYP CB C 13 38.383 0.1 . 1 . . . A 11 HYP CB . c18861_2m1f 1 115 . 1 1 11 11 HYP CD C 13 58.568 0.1 . 1 . . . A 11 HYP CD . c18861_2m1f 1 116 . 1 1 11 11 HYP HA H 1 4.687 0.02 . 1 . . . A 11 HYP HA . c18861_2m1f 1 117 . 1 1 11 11 HYP HB2 H 1 2.049 0.02 . 1 . . . A 11 HYP HB2 . c18861_2m1f 1 118 . 1 1 11 11 HYP HB3 H 1 2.472 0.02 . 1 . . . A 11 HYP HB3 . c18861_2m1f 1 119 . 1 1 11 11 HYP HD22 H 1 3.730 0.02 . 1 . . . A 11 HYP HD2 . c18861_2m1f 1 120 . 1 1 11 11 HYP HD23 H 1 4.018 0.02 . 1 . . . A 11 HYP HD3 . c18861_2m1f 1 121 . 1 1 11 11 HYP HG H 1 4.643 0.02 . 1 . . . A 11 HYP HG . c18861_2m1f 1 122 . 1 1 12 12 GLN H H 1 8.197 0.02 . 1 . . . A 12 GLN H . c18861_2m1f 1 123 . 1 1 12 12 GLN HA H 1 4.466 0.02 . 1 . . . A 12 GLN HA . c18861_2m1f 1 124 . 1 1 12 12 GLN HB2 H 1 2.041 0.02 . 1 . . . A 12 GLN HB2 . c18861_2m1f 1 125 . 1 1 12 12 GLN HB3 H 1 2.419 0.02 . 1 . . . A 12 GLN HB3 . c18861_2m1f 1 126 . 1 1 12 12 GLN HG2 H 1 2.373 0.02 . 1 . . . A 12 GLN HG2 . c18861_2m1f 1 127 . 1 1 12 12 GLN HG3 H 1 2.373 0.02 . 1 . . . A 12 GLN HG3 . c18861_2m1f 1 128 . 1 1 12 12 GLN HE21 H 1 7.413 0.02 . 1 . . . A 12 GLN HE21 . c18861_2m1f 1 129 . 1 1 12 12 GLN HE22 H 1 6.672 0.02 . 1 . . . A 12 GLN HE22 . c18861_2m1f 1 130 . 1 1 12 12 GLN C C 13 174.245 0.1 . 1 . . . A 12 GLN C . c18861_2m1f 1 131 . 1 1 12 12 GLN CA C 13 54.762 0.1 . 1 . . . A 12 GLN CA . c18861_2m1f 1 132 . 1 1 12 12 GLN CB C 13 28.845 0.1 . 1 . . . A 12 GLN CB . c18861_2m1f 1 133 . 1 1 12 12 GLN CG C 13 33.265 0.1 . 1 . . . A 12 GLN CG . c18861_2m1f 1 134 . 1 1 12 12 GLN N N 15 112.272 0.1 . 1 . . . A 12 GLN N . c18861_2m1f 1 135 . 1 1 12 12 GLN NE2 N 15 110.061 0.1 . 1 . . . A 12 GLN NE2 . c18861_2m1f 1 136 . 1 1 13 13 DIV CA C 13 61.204 0.1 . 1 . . . A 13 DIV CA . c18861_2m1f 1 137 . 1 1 13 13 DIV CB1 C 13 30.221 0.1 . 1 . . . A 13 DIV CB1 . c18861_2m1f 1 138 . 1 1 13 13 DIV CB2 C 13 22.523 0.1 . 1 . . . A 13 DIV CB2 . c18861_2m1f 1 139 . 1 1 13 13 DIV CG1 C 13 7.203 0.1 . 1 . . . A 13 DIV CG1 . c18861_2m1f 1 140 . 1 1 13 13 DIV H H 1 7.414 0.02 . 1 . . . A 13 DIV H . c18861_2m1f 1 141 . 1 1 13 13 DIV HB11 H 1 2.288 0.02 . 1 . . . A 13 DIV HB12 . c18861_2m1f 1 142 . 1 1 13 13 DIV HB12 H 1 1.922 0.02 . 1 . . . A 13 DIV HB13 . c18861_2m1f 1 143 . 1 1 13 13 DIV N N 15 125.447 0.1 . 1 . . . A 13 DIV N . c18861_2m1f 1 144 . 1 1 13 13 DIV HB21 H 1 1.515 0.02 . 1 . . . A 13 DIV QB2 . c18861_2m1f 1 145 . 1 1 13 13 DIV HB22 H 1 1.515 0.02 . 1 . . . A 13 DIV QB2 . c18861_2m1f 1 146 . 1 1 13 13 DIV HB23 H 1 1.515 0.02 . 1 . . . A 13 DIV QB2 . c18861_2m1f 1 147 . 1 1 13 13 DIV HG11 H 1 0.844 0.02 . 1 . . . A 13 DIV QG1 . c18861_2m1f 1 148 . 1 1 13 13 DIV HG12 H 1 0.844 0.02 . 1 . . . A 13 DIV QG1 . c18861_2m1f 1 149 . 1 1 13 13 DIV HG13 H 1 0.844 0.02 . 1 . . . A 13 DIV QG1 . c18861_2m1f 1 150 . 1 1 14 14 HYP C C 13 177.173 0.1 . 1 . . . A 14 HYP C . c18861_2m1f 1 151 . 1 1 14 14 HYP CA C 13 63.635 0.1 . 1 . . . A 14 HYP CA . c18861_2m1f 1 152 . 1 1 14 14 HYP CB C 13 38.826 0.1 . 1 . . . A 14 HYP CB . c18861_2m1f 1 153 . 1 1 14 14 HYP CD C 13 58.705 0.1 . 1 . . . A 14 HYP CD . c18861_2m1f 1 154 . 1 1 14 14 HYP HA H 1 4.727 0.02 . 1 . . . A 14 HYP HA . c18861_2m1f 1 155 . 1 1 14 14 HYP HB2 H 1 1.953 0.02 . 1 . . . A 14 HYP HB2 . c18861_2m1f 1 156 . 1 1 14 14 HYP HB3 H 1 2.425 0.02 . 1 . . . A 14 HYP HB3 . c18861_2m1f 1 157 . 1 1 14 14 HYP HD22 H 1 3.544 0.02 . 1 . . . A 14 HYP HD2 . c18861_2m1f 1 158 . 1 1 14 14 HYP HD23 H 1 3.850 0.02 . 1 . . . A 14 HYP HD3 . c18861_2m1f 1 159 . 1 1 14 14 HYP HG H 1 4.534 0.02 . 1 . . . A 14 HYP HG . c18861_2m1f 1 160 . 1 1 15 15 AIB CA C 13 58.636 0.1 . 1 . . . A 15 AIB CA . c18861_2m1f 1 161 . 1 1 15 15 AIB CB1 C 13 26.874 0.1 . 1 . . . A 15 AIB CB1 . c18861_2m1f 1 162 . 1 1 15 15 AIB CB2 C 13 25.103 0.1 . 1 . . . A 15 AIB CB2 . c18861_2m1f 1 163 . 1 1 15 15 AIB H H 1 7.969 0.02 . 1 . . . A 15 AIB H . c18861_2m1f 1 164 . 1 1 15 15 AIB N N 15 129.139 0.1 . 1 . . . A 15 AIB N . c18861_2m1f 1 165 . 1 1 15 15 AIB HB11 H 1 1.473 0.02 . 1 . . . A 15 AIB QB1 . c18861_2m1f 1 166 . 1 1 15 15 AIB HB12 H 1 1.473 0.02 . 1 . . . A 15 AIB QB1 . c18861_2m1f 1 167 . 1 1 15 15 AIB HB13 H 1 1.473 0.02 . 1 . . . A 15 AIB QB1 . c18861_2m1f 1 168 . 1 1 15 15 AIB HB21 H 1 1.546 0.02 . 1 . . . A 15 AIB QB2 . c18861_2m1f 1 169 . 1 1 15 15 AIB HB22 H 1 1.546 0.02 . 1 . . . A 15 AIB QB2 . c18861_2m1f 1 170 . 1 1 15 15 AIB HB23 H 1 1.546 0.02 . 1 . . . A 15 AIB QB2 . c18861_2m1f 1 171 . 1 1 16 16 PRO HA H 1 4.339 0.02 . 1 . . . A 16 PRO HA . c18861_2m1f 1 172 . 1 1 16 16 PRO HB2 H 1 0.892 0.02 . 1 . . . A 16 PRO HB2 . c18861_2m1f 1 173 . 1 1 16 16 PRO HB3 H 1 1.919 0.02 . 1 . . . A 16 PRO HB3 . c18861_2m1f 1 174 . 1 1 16 16 PRO HG2 H 1 1.425 0.02 . 1 . . . A 16 PRO HG2 . c18861_2m1f 1 175 . 1 1 16 16 PRO HG3 H 1 1.578 0.02 . 1 . . . A 16 PRO HG3 . c18861_2m1f 1 176 . 1 1 16 16 PRO HD2 H 1 3.808 0.02 . 1 . . . A 16 PRO HD2 . c18861_2m1f 1 177 . 1 1 16 16 PRO HD3 H 1 3.725 0.02 . 1 . . . A 16 PRO HD3 . c18861_2m1f 1 178 . 1 1 16 16 PRO C C 13 175.130 0.1 . 1 . . . A 16 PRO C . c18861_2m1f 1 179 . 1 1 16 16 PRO CA C 13 64.330 0.1 . 1 . . . A 16 PRO CA . c18861_2m1f 1 180 . 1 1 16 16 PRO CB C 13 30.613 0.1 . 1 . . . A 16 PRO CB . c18861_2m1f 1 181 . 1 1 16 16 PRO CG C 13 26.994 0.1 . 1 . . . A 16 PRO CG . c18861_2m1f 1 182 . 1 1 16 16 PRO CD C 13 50.384 0.1 . 1 . . . A 16 PRO CD . c18861_2m1f 1 183 . 1 1 17 17 PHL C C 13 66.318 0.1 . 1 . . . A 17 PHL C . c18861_2m1f 1 184 . 1 1 17 17 PHL CA C 13 55.354 0.1 . 1 . . . A 17 PHL CA . c18861_2m1f 1 185 . 1 1 17 17 PHL CB C 13 38.905 0.1 . 1 . . . A 17 PHL CB . c18861_2m1f 1 186 . 1 1 17 17 PHL H H 1 7.147 0.02 . 1 . . . A 17 PHL H . c18861_2m1f 1 187 . 1 1 17 17 PHL H2 H 1 3.711 0.02 . 1 . . . A 17 PHL H2 . c18861_2m1f 1 188 . 1 1 17 17 PHL HA H 1 4.185 0.02 . 1 . . . A 17 PHL HA . c18861_2m1f 1 189 . 1 1 17 17 PHL HB2 H 1 2.635 0.02 . 1 . . . A 17 PHL HB2 . c18861_2m1f 1 190 . 1 1 17 17 PHL HB3 H 1 3.105 0.02 . 1 . . . A 17 PHL HB3 . c18861_2m1f 1 191 . 1 1 17 17 PHL N N 15 118.335 0.1 . 1 . . . A 17 PHL N . c18861_2m1f 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 c18861_2m1f _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 20 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 c18861_2m1f _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 . . . c18861_2m1f 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 . . . . c18861_2m1f 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 ACE C C 1.489 0.959 -2.268 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 1 . 2 . 1 1 1 ACE CH3 C 2.071 0.001 -1.247 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 1 . 3 . 1 1 1 ACE H1 H 1.832 0.344 -0.252 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 1 . 4 . 1 1 1 ACE H2 H 3.144 -0.043 -1.365 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 1 . 5 . 1 1 1 ACE H3 H 1.653 -0.984 -1.398 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 1 . 6 . 1 1 1 ACE O O 1.765 2.158 -2.233 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 1 . 7 . 1 1 2 PHE C C -0.896 2.265 -3.606 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 1 . 8 . 1 1 2 PHE CA C 0.059 1.244 -4.217 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 1 . 9 . 1 1 2 PHE CB C -0.692 0.357 -5.211 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 1 . 10 . 1 1 2 PHE CD1 C -2.041 1.970 -6.581 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 1 . 11 . 1 1 2 PHE CD2 C -0.281 0.769 -7.652 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 1 . 12 . 1 1 2 PHE CE1 C -2.337 2.606 -7.772 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 1 . 13 . 1 1 2 PHE CE2 C -0.572 1.402 -8.846 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 1 . 14 . 1 1 2 PHE CG C -1.011 1.046 -6.507 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 1 . 15 . 1 1 2 PHE CZ C -1.602 2.321 -8.906 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 1 . 16 . 1 1 2 PHE H H 0.498 -0.534 -3.155 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 1 . 17 . 1 1 2 PHE HA H 0.844 1.770 -4.738 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 1 . 18 . 1 1 2 PHE HB2 H -0.090 -0.510 -5.436 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 1 . 19 . 1 1 2 PHE HB3 H -1.623 0.038 -4.766 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 1 . 20 . 1 1 2 PHE HD1 H -2.617 2.193 -5.694 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 1 . 21 . 1 1 2 PHE HD2 H 0.524 0.050 -7.607 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 1 . 22 . 1 1 2 PHE HE1 H -3.142 3.324 -7.816 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 1 . 23 . 1 1 2 PHE HE2 H 0.004 1.177 -9.731 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 1 . 24 . 1 1 2 PHE HZ H -1.830 2.817 -9.837 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 1 . 25 . 1 1 2 PHE N N 0.680 0.429 -3.180 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 1 . 26 . 1 1 2 PHE O O -0.772 3.467 -3.843 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 1 . 27 . 1 1 3 ABA C C -2.102 3.743 -1.402 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 1 . 28 . 1 1 3 ABA CA C -2.827 2.647 -2.175 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 1 . 29 . 1 1 3 ABA H H -1.898 0.811 -2.669 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 1 . 30 . 1 1 3 ABA N N -1.850 1.778 -2.819 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 1 . 31 . 1 1 3 ABA O O -2.421 4.924 -1.533 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 1 . 32 . 1 1 4 ABA C C 0.384 5.252 -0.731 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 1 . 33 . 1 1 4 ABA CA C -0.351 4.291 0.198 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 1 . 34 . 1 1 4 ABA H H -0.915 2.387 -0.535 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 1 . 35 . 1 1 4 ABA N N -1.123 3.343 -0.597 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 1 . 36 . 1 1 4 ABA O O 0.511 6.440 -0.437 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 1 . 37 . 1 1 5 ABA C C 0.728 6.726 -3.239 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 1 . 38 . 1 1 5 ABA CA C 1.591 5.539 -2.825 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 1 . 39 . 1 1 5 ABA H H 0.734 3.774 -2.031 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 1 . 40 . 1 1 5 ABA N N 0.868 4.728 -1.853 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 1 . 41 . 1 1 5 ABA O O 1.240 7.802 -3.547 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 1 . 42 . 1 1 6 . C C -1.228 8.831 -2.807 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 1 . 43 . 1 1 6 . CA C -1.520 7.576 -3.622 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 1 . 44 . 1 1 6 . CB1 C -1.364 7.887 -5.107 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 1 . 45 . 1 1 6 . CB2 C -2.947 7.112 -3.347 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 1 . 46 . 1 1 6 . CG1 C -1.353 6.657 -5.989 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 1 . 47 . 1 1 6 . H H -0.934 5.643 -2.991 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 1 . 48 . 1 1 6 . HB11 H -0.440 8.423 -5.264 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 1 . 49 . 1 1 6 . HB12 H -2.177 8.523 -5.426 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 1 . 50 . 1 1 6 . HB21 H -3.132 7.128 -2.284 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 1 . 51 . 1 1 6 . HB22 H -3.077 6.107 -3.720 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 1 . 52 . 1 1 6 . HB23 H -3.642 7.773 -3.844 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 1 . 53 . 1 1 6 . HG11 H -0.333 6.401 -6.237 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 1 . 54 . 1 1 6 . HG12 H -1.903 6.860 -6.896 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 1 . 55 . 1 1 6 . HG13 H -1.813 5.834 -5.464 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 1 . 56 . 1 1 6 . N N -0.586 6.523 -3.246 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 1 . 57 . 1 1 6 . O O -1.406 9.950 -3.285 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 1 . 58 . 1 1 7 GLY C C 0.482 10.748 -1.361 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 1 . 59 . 1 1 7 GLY CA C -0.466 9.761 -0.709 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 1 . 60 . 1 1 7 GLY H H -0.653 7.721 -1.243 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 1 . 61 . 1 1 7 GLY HA2 H -1.384 10.272 -0.458 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 1 . 62 . 1 1 7 GLY HA3 H -0.013 9.390 0.199 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 1 . 63 . 1 1 7 GLY N N -0.777 8.636 -1.571 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 1 . 64 . 1 1 7 GLY O O 0.383 11.955 -1.139 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 1 . 65 . 1 1 8 LEU C C 1.730 11.812 -4.024 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 1 . 66 . 1 1 8 LEU CA C 2.377 11.078 -2.853 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 1 . 67 . 1 1 8 LEU CB C 3.552 10.236 -3.351 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 1 . 68 . 1 1 8 LEU CD1 C 5.654 8.990 -2.792 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 1 . 69 . 1 1 8 LEU CD2 C 4.399 10.189 -0.992 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 1 . 70 . 1 1 8 LEU CG C 4.280 9.407 -2.292 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 1 . 71 . 1 1 8 LEU H H 1.434 9.265 -2.305 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 1 . 72 . 1 1 8 LEU HA H 2.741 11.807 -2.144 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 1 . 73 . 1 1 8 LEU HB2 H 3.178 9.557 -4.101 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 1 . 74 . 1 1 8 LEU HB3 H 4.271 10.905 -3.800 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 1 . 75 . 1 1 8 LEU HD11 H 5.545 8.241 -3.562 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 1 . 76 . 1 1 8 LEU HD12 H 6.227 8.582 -1.972 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 1 . 77 . 1 1 8 LEU HD13 H 6.167 9.851 -3.196 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 1 . 78 . 1 1 8 LEU HD21 H 3.463 10.137 -0.454 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 1 . 79 . 1 1 8 LEU HD22 H 4.630 11.221 -1.212 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 1 . 80 . 1 1 8 LEU HD23 H 5.186 9.765 -0.387 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 1 . 81 . 1 1 8 LEU HG H 3.711 8.509 -2.092 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 1 . 82 . 1 1 8 LEU N N 1.404 10.234 -2.167 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 1 . 83 . 1 1 8 LEU O O 2.188 12.881 -4.428 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 1 . 84 . 1 1 9 ABA C C -1.009 12.896 -5.168 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 1 . 85 . 1 1 9 ABA CA C -0.047 11.832 -5.686 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 1 . 86 . 1 1 9 ABA H H 0.347 10.380 -4.197 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 1 . 87 . 1 1 9 ABA N N 0.663 11.232 -4.563 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 1 . 88 . 1 1 9 ABA O O -1.493 13.732 -5.930 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 1 . 89 . 1 1 10 ABA C C -1.662 15.232 -3.479 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 1 . 90 . 1 1 10 ABA CA C -2.187 13.819 -3.249 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 1 . 91 . 1 1 10 ABA H H -0.866 12.167 -3.312 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 1 . 92 . 1 1 10 ABA N N -1.282 12.857 -3.868 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 1 . 93 . 1 1 10 ABA O O -2.359 16.103 -3.999 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 1 . 94 . 1 1 11 HYP C C 0.208 17.274 -4.675 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 1 . 95 . 1 1 11 HYP CA C 0.245 16.774 -3.235 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 1 . 96 . 1 1 11 HYP CB C 1.687 16.508 -2.797 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 1 . 97 . 1 1 11 HYP CD C 0.487 14.476 -2.454 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 1 . 98 . 1 1 11 HYP CG C 1.605 15.295 -1.937 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 1 . 99 . 1 1 11 HYP HA H -0.199 17.515 -2.586 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 1 . 100 . 1 1 11 HYP HB2 H 2.304 16.335 -3.668 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 1 . 101 . 1 1 11 HYP HB3 H 2.063 17.358 -2.247 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 1 . 102 . 1 1 11 HYP HD1 H 1.206 16.222 -0.241 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 1 . 103 . 1 1 11 HYP HD22 H 0.709 13.669 -3.137 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 1 . 104 . 1 1 11 HYP HD23 H 0.053 14.092 -1.543 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 1 . 105 . 1 1 11 HYP HG H 2.310 14.558 -2.292 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 1 . 106 . 1 1 11 HYP N N -0.402 15.467 -3.082 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 1 . 107 . 1 1 11 HYP O O 0.401 18.461 -4.933 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 1 . 108 . 1 1 11 HYP OD1 O 1.876 15.617 -0.566 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 1 . 109 . 1 1 12 GLN C C -1.512 17.133 -7.417 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 1 . 110 . 1 1 12 GLN CA C -0.101 16.710 -7.022 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 1 . 111 . 1 1 12 GLN CB C 0.349 15.527 -7.881 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 1 . 112 . 1 1 12 GLN CD C 2.557 16.583 -8.505 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 1 . 113 . 1 1 12 GLN CG C 1.858 15.361 -7.945 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 1 . 114 . 1 1 12 GLN H H -0.185 15.429 -5.339 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 1 . 115 . 1 1 12 GLN HA H 0.570 17.539 -7.187 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 1 . 116 . 1 1 12 GLN HB2 H -0.075 14.621 -7.476 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 1 . 117 . 1 1 12 GLN HB3 H -0.018 15.668 -8.887 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 1 . 118 . 1 1 12 GLN HE21 H 3.353 16.975 -6.726 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 1 . 119 . 1 1 12 GLN HE22 H 3.762 18.079 -7.990 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 1 . 120 . 1 1 12 GLN HG2 H 2.230 15.179 -6.947 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 1 . 121 . 1 1 12 GLN HG3 H 2.088 14.513 -8.573 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 1 . 122 . 1 1 12 GLN N N -0.040 16.360 -5.608 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 1 . 123 . 1 1 12 GLN NE2 N 3.298 17.284 -7.655 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 1 . 124 . 1 1 12 GLN O O -1.715 17.752 -8.461 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 1 . 125 . 1 1 12 GLN OE1 O 2.433 16.895 -9.690 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 1 . 126 . 1 1 13 . C C -4.021 18.657 -6.896 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 1 . 127 . 1 1 13 . CA C -3.876 17.140 -6.838 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 1 . 128 . 1 1 13 . CB1 C -4.307 16.536 -8.171 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 1 . 129 . 1 1 13 . CB2 C -4.755 16.587 -5.722 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 1 . 130 . 1 1 13 . CG1 C -3.584 15.254 -8.521 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 1 . 131 . 1 1 13 . H H -2.259 16.302 -5.760 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 1 . 132 . 1 1 13 . HB11 H -4.127 17.251 -8.961 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 1 . 133 . 1 1 13 . HB12 H -5.366 16.330 -8.143 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 1 . 134 . 1 1 13 . HB21 H -5.006 17.381 -5.034 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 1 . 135 . 1 1 13 . HB22 H -4.222 15.809 -5.195 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 1 . 136 . 1 1 13 . HB23 H -5.661 16.178 -6.146 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 1 . 137 . 1 1 13 . HG11 H -3.455 14.659 -7.629 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 1 . 138 . 1 1 13 . HG12 H -2.617 15.489 -8.941 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 1 . 139 . 1 1 13 . HG13 H -4.165 14.699 -9.243 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 1 . 140 . 1 1 13 . N N -2.484 16.795 -6.576 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 1 . 141 . 1 1 13 . O O -4.580 19.216 -7.840 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 1 . 142 . 1 1 14 HYP C C -2.455 21.478 -6.567 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 1 . 143 . 1 1 14 HYP CA C -3.568 20.802 -5.773 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 1 . 144 . 1 1 14 HYP CB C -3.397 21.073 -4.276 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 1 . 145 . 1 1 14 HYP CD C -2.828 18.739 -4.703 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 1 . 146 . 1 1 14 HYP CG C -2.687 19.873 -3.753 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 1 . 147 . 1 1 14 HYP HA H -4.524 21.181 -6.103 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 1 . 148 . 1 1 14 HYP HB2 H -2.814 21.972 -4.135 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 1 . 149 . 1 1 14 HYP HB3 H -4.366 21.190 -3.815 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 1 . 150 . 1 1 14 HYP HD1 H -3.833 18.861 -2.505 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 1 . 151 . 1 1 14 HYP HD22 H -1.872 18.325 -4.989 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 1 . 152 . 1 1 14 HYP HD23 H -3.447 17.983 -4.244 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 1 . 153 . 1 1 14 HYP HG H -1.625 20.068 -3.734 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 1 . 154 . 1 1 14 HYP N N -3.508 19.341 -5.863 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 1 . 155 . 1 1 14 HYP O O -2.406 22.704 -6.666 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 1 . 156 . 1 1 14 HYP OD1 O -3.150 19.533 -2.440 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 1 . 157 . 1 1 15 ABA C C -0.988 22.080 -9.033 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 1 . 158 . 1 1 15 ABA CA C -0.450 21.192 -7.916 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 1 . 159 . 1 1 15 ABA H H -1.654 19.702 -7.016 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 1 . 160 . 1 1 15 ABA N N -1.562 20.671 -7.131 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 1 . 161 . 1 1 15 ABA O O -0.633 23.253 -9.152 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 1 . 162 . 1 1 16 PRO C C -3.537 23.226 -10.536 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 1 . 163 . 1 1 16 PRO CA C -2.472 22.234 -10.994 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 1 . 164 . 1 1 16 PRO CB C -3.104 21.121 -11.833 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 1 . 165 . 1 1 16 PRO CD C -2.335 20.117 -9.790 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 1 . 166 . 1 1 16 PRO CG C -3.369 20.020 -10.865 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 1 . 167 . 1 1 16 PRO HA H -1.728 22.752 -11.581 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 1 . 168 . 1 1 16 PRO HB2 H -4.019 21.481 -12.283 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 1 . 169 . 1 1 16 PRO HB3 H -2.415 20.811 -12.604 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 1 . 170 . 1 1 16 PRO HD2 H -2.790 19.919 -8.831 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 1 . 171 . 1 1 16 PRO HD3 H -1.524 19.427 -9.975 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 1 . 172 . 1 1 16 PRO HG2 H -4.352 20.137 -10.436 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 1 . 173 . 1 1 16 PRO HG3 H -3.286 19.066 -11.363 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 1 . 174 . 1 1 16 PRO N N -1.866 21.511 -9.872 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 1 . 175 . 1 1 16 PRO O O -4.013 24.046 -11.321 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 1 . 176 . 1 1 17 PHL C C -4.289 25.001 -7.695 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 1 . 177 . 1 1 17 PHL CA C -4.913 24.037 -8.700 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 1 . 178 . 1 1 17 PHL CB C -6.022 23.226 -8.026 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 1 . 179 . 1 1 17 PHL CD1 C -7.913 23.384 -9.667 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 1 . 180 . 1 1 17 PHL CD2 C -6.962 21.240 -9.237 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 1 . 181 . 1 1 17 PHL CE1 C -8.800 22.815 -10.561 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 1 . 182 . 1 1 17 PHL CE2 C -7.847 20.666 -10.130 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 1 . 183 . 1 1 17 PHL CG C -6.985 22.604 -8.996 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 1 . 184 . 1 1 17 PHL CZ C -8.768 21.454 -10.792 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 1 . 185 . 1 1 17 PHL H H -3.488 22.471 -8.685 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 1 . 186 . 1 1 17 PHL HA H -5.339 24.608 -9.511 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 1 . 187 . 1 1 17 PHL HB2 H -5.576 22.432 -7.447 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 1 . 188 . 1 1 17 PHL HB3 H -6.582 23.874 -7.369 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 1 . 189 . 1 1 17 PHL HC1 H -5.000 25.779 -7.459 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 1 . 190 . 1 1 17 PHL HC2 H -4.030 24.459 -6.797 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 1 . 191 . 1 1 17 PHL HD1 H -7.940 24.450 -9.487 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 1 . 192 . 1 1 17 PHL HD2 H -6.243 20.622 -8.720 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 1 . 193 . 1 1 17 PHL HE1 H -9.519 23.434 -11.077 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 1 . 194 . 1 1 17 PHL HE2 H -7.819 19.601 -10.309 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 1 . 195 . 1 1 17 PHL HO H -2.591 24.944 -8.699 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 1 . 196 . 1 1 17 PHL HZ H -9.460 21.007 -11.491 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 1 . 197 . 1 1 17 PHL N N -3.905 23.146 -9.262 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 1 . 198 . 1 1 17 PHL O O -3.104 25.605 -8.229 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 2 . 199 . 1 1 1 ACE C C 1.479 0.940 -2.196 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 2 . 200 . 1 1 1 ACE CH3 C 2.052 -0.013 -1.166 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 2 . 201 . 1 1 1 ACE H1 H 2.679 -0.742 -1.658 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 2 . 202 . 1 1 1 ACE H2 H 1.246 -0.518 -0.654 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 2 . 203 . 1 1 1 ACE H3 H 2.641 0.542 -0.450 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 2 . 204 . 1 1 1 ACE O O 1.755 2.139 -2.165 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 2 . 205 . 1 1 2 PHE C C -0.895 2.241 -3.561 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 2 . 206 . 1 1 2 PHE CA C 0.066 1.218 -4.159 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 2 . 207 . 1 1 2 PHE CB C -0.677 0.326 -5.156 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 2 . 208 . 1 1 2 PHE CD1 C 0.040 1.430 -7.292 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 2 . 209 . 1 1 2 PHE CD2 C -2.294 1.231 -6.848 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 2 . 210 . 1 1 2 PHE CE1 C -0.238 2.059 -8.492 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 2 . 211 . 1 1 2 PHE CE2 C -2.579 1.859 -8.046 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 2 . 212 . 1 1 2 PHE CG C -0.983 1.009 -6.458 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 2 . 213 . 1 1 2 PHE CZ C -1.550 2.274 -8.868 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 2 . 214 . 1 1 2 PHE H H 0.495 -0.556 -3.086 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 2 . 215 . 1 1 2 PHE HA H 0.856 1.741 -4.675 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 2 . 216 . 1 1 2 PHE HB2 H -0.072 -0.542 -5.372 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 2 . 217 . 1 1 2 PHE HB3 H -1.611 0.009 -4.718 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 2 . 218 . 1 1 2 PHE HD1 H 1.067 1.262 -6.998 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 2 . 219 . 1 1 2 PHE HD2 H -3.100 0.908 -6.205 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 2 . 220 . 1 1 2 PHE HE1 H 0.569 2.382 -9.132 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 2 . 221 . 1 1 2 PHE HE2 H -3.605 2.026 -8.338 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 2 . 222 . 1 1 2 PHE HZ H -1.769 2.764 -9.805 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 2 . 223 . 1 1 2 PHE N N 0.678 0.406 -3.113 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 2 . 224 . 1 1 2 PHE O O -0.768 3.442 -3.802 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 2 . 225 . 1 1 3 ABA C C -2.119 3.728 -1.374 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 2 . 226 . 1 1 3 ABA CA C -2.838 2.629 -2.149 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 2 . 227 . 1 1 3 ABA H H -1.904 0.791 -2.627 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 2 . 228 . 1 1 3 ABA N N -1.855 1.757 -2.781 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 2 . 229 . 1 1 3 ABA O O -2.438 4.909 -1.513 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 2 . 230 . 1 1 4 ABA C C 0.361 5.240 -0.688 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 2 . 231 . 1 1 4 ABA CA C -0.383 4.284 0.238 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 2 . 232 . 1 1 4 ABA H H -0.941 2.377 -0.491 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 2 . 233 . 1 1 4 ABA N N -1.148 3.332 -0.558 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 2 . 234 . 1 1 4 ABA O O 0.485 6.430 -0.398 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 2 . 235 . 1 1 5 ABA C C 0.727 6.703 -3.199 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 2 . 236 . 1 1 5 ABA CA C 1.586 5.518 -2.772 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 2 . 237 . 1 1 5 ABA H H 0.722 3.757 -1.978 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 2 . 238 . 1 1 5 ABA N N 0.854 4.712 -1.803 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 2 . 239 . 1 1 5 ABA O O 1.242 7.777 -3.507 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 2 . 240 . 1 1 6 . C C -1.232 8.811 -2.794 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 2 . 241 . 1 1 6 . CA C -1.518 7.552 -3.606 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 2 . 242 . 1 1 6 . CB1 C -1.348 7.856 -5.091 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 2 . 243 . 1 1 6 . CB2 C -2.947 7.090 -3.342 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 2 . 244 . 1 1 6 . CG1 C -1.324 6.622 -5.966 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 2 . 245 . 1 1 6 . H H -0.937 5.622 -2.960 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 2 . 246 . 1 1 6 . HB11 H -0.424 8.395 -5.242 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 2 . 247 . 1 1 6 . HB12 H -2.160 8.487 -5.421 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 2 . 248 . 1 1 6 . HB21 H -3.129 7.075 -2.277 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 2 . 249 . 1 1 6 . HB22 H -3.084 6.097 -3.744 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 2 . 250 . 1 1 6 . HB23 H -3.639 7.769 -3.817 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 2 . 251 . 1 1 6 . HG11 H -0.300 6.335 -6.156 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 2 . 252 . 1 1 6 . HG12 H -1.817 6.836 -6.903 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 2 . 253 . 1 1 6 . HG13 H -1.837 5.815 -5.465 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 2 . 254 . 1 1 6 . N N -0.586 6.500 -3.216 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 2 . 255 . 1 1 6 . O O -1.406 9.928 -3.279 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 2 . 256 . 1 1 7 GLY C C 0.466 10.733 -1.342 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 2 . 257 . 1 1 7 GLY CA C -0.488 9.750 -0.693 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 2 . 258 . 1 1 7 GLY H H -0.671 7.707 -1.220 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 2 . 259 . 1 1 7 GLY HA2 H -1.408 10.262 -0.453 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 2 . 260 . 1 1 7 GLY HA3 H -0.043 9.383 0.220 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 2 . 261 . 1 1 7 GLY N N -0.791 8.621 -1.553 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 2 . 262 . 1 1 7 GLY O O 0.366 11.942 -1.126 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 2 . 263 . 1 1 8 LEU C C 1.738 11.785 -3.998 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 2 . 264 . 1 1 8 LEU CA C 2.374 11.057 -2.818 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 2 . 265 . 1 1 8 LEU CB C 3.553 10.211 -3.302 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 2 . 266 . 1 1 8 LEU CD1 C 5.650 8.967 -2.719 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 2 . 267 . 1 1 8 LEU CD2 C 4.380 10.176 -0.935 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 2 . 268 . 1 1 8 LEU CG C 4.272 9.388 -2.233 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 2 . 269 . 1 1 8 LEU H H 1.425 9.246 -2.271 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 2 . 270 . 1 1 8 LEU HA H 2.732 11.788 -2.110 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 2 . 271 . 1 1 8 LEU HB2 H 3.185 9.529 -4.053 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 2 . 272 . 1 1 8 LEU HB3 H 4.277 10.879 -3.749 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 2 . 273 . 1 1 8 LEU HD11 H 5.548 8.201 -3.472 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 2 . 274 . 1 1 8 LEU HD12 H 6.223 8.582 -1.889 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 2 . 275 . 1 1 8 LEU HD13 H 6.159 9.822 -3.141 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 2 . 276 . 1 1 8 LEU HD21 H 3.453 10.093 -0.386 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 2 . 277 . 1 1 8 LEU HD22 H 4.573 11.215 -1.161 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 2 . 278 . 1 1 8 LEU HD23 H 5.188 9.780 -0.340 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 2 . 279 . 1 1 8 LEU HG H 3.701 8.491 -2.034 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 2 . 280 . 1 1 8 LEU N N 1.395 10.216 -2.137 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 2 . 281 . 1 1 8 LEU O O 2.200 12.852 -4.403 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 2 . 282 . 1 1 9 ABA C C -0.991 12.866 -5.171 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 2 . 283 . 1 1 9 ABA CA C -0.025 11.799 -5.675 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 2 . 284 . 1 1 9 ABA H H 0.354 10.354 -4.176 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 2 . 285 . 1 1 9 ABA N N 0.675 11.203 -4.543 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 2 . 286 . 1 1 9 ABA O O -1.467 13.699 -5.941 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 2 . 287 . 1 1 10 ABA C C -1.655 15.211 -3.498 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 2 . 288 . 1 1 10 ABA CA C -2.184 13.799 -3.266 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 2 . 289 . 1 1 10 ABA H H -0.864 12.145 -3.311 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 2 . 290 . 1 1 10 ABA N N -1.275 12.834 -3.873 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 2 . 291 . 1 1 10 ABA O O -2.347 16.080 -4.028 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 2 . 292 . 1 1 11 HYP C C 0.227 17.245 -4.687 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 2 . 293 . 1 1 11 HYP CA C 0.251 16.751 -3.244 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 2 . 294 . 1 1 11 HYP CB C 1.689 16.487 -2.793 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 2 . 295 . 1 1 11 HYP CD C 0.484 14.457 -2.451 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 2 . 296 . 1 1 11 HYP CG C 1.598 15.277 -1.928 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 2 . 297 . 1 1 11 HYP HA H -0.198 17.496 -2.603 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 2 . 298 . 1 1 11 HYP HB2 H 2.313 16.309 -3.658 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 2 . 299 . 1 1 11 HYP HB3 H 2.061 17.338 -2.243 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 2 . 300 . 1 1 11 HYP HD1 H 1.102 15.602 -0.046 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 2 . 301 . 1 1 11 HYP HD22 H 0.711 13.647 -3.129 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 2 . 302 . 1 1 11 HYP HD23 H 0.042 14.077 -1.542 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 2 . 303 . 1 1 11 HYP HG H 2.277 14.523 -2.298 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 2 . 304 . 1 1 11 HYP N N -0.399 15.446 -3.091 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 2 . 305 . 1 1 11 HYP O O 0.423 18.431 -4.949 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 2 . 306 . 1 1 11 HYP OD1 O 1.909 15.595 -0.565 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 2 . 307 . 1 1 12 GLN C C -1.470 17.094 -7.443 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 2 . 308 . 1 1 12 GLN CA C -0.063 16.670 -7.034 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 2 . 309 . 1 1 12 GLN CB C 0.393 15.483 -7.884 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 2 . 310 . 1 1 12 GLN CD C 2.605 16.514 -8.541 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 2 . 311 . 1 1 12 GLN CG C 1.903 15.315 -7.934 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 2 . 312 . 1 1 12 GLN H H -0.162 15.398 -5.346 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 2 . 313 . 1 1 12 GLN HA H 0.611 17.498 -7.197 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 2 . 314 . 1 1 12 GLN HB2 H -0.035 14.579 -7.478 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 2 . 315 . 1 1 12 GLN HB3 H 0.035 15.620 -8.894 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 2 . 316 . 1 1 12 GLN HE21 H 2.986 17.240 -6.730 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 2 . 317 . 1 1 12 GLN HE22 H 3.558 18.189 -8.055 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 2 . 318 . 1 1 12 GLN HG2 H 2.271 15.175 -6.928 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 2 . 319 . 1 1 12 GLN HG3 H 2.136 14.442 -8.525 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 2 . 320 . 1 1 12 GLN N N -0.014 16.327 -5.618 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 2 . 321 . 1 1 12 GLN NE2 N 3.099 17.405 -7.690 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 2 . 322 . 1 1 12 GLN O O -1.663 17.708 -8.492 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 2 . 323 . 1 1 12 GLN OE1 O 2.701 16.638 -9.763 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 2 . 324 . 1 1 13 . C C -3.982 18.622 -6.951 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 2 . 325 . 1 1 13 . CA C -3.838 17.105 -6.885 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 2 . 326 . 1 1 13 . CB1 C -4.258 16.497 -8.219 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 2 . 327 . 1 1 13 . CB2 C -4.728 16.558 -5.774 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 2 . 328 . 1 1 13 . CG1 C -3.534 15.212 -8.557 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 2 . 329 . 1 1 13 . H H -2.232 16.271 -5.789 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 2 . 330 . 1 1 13 . HB11 H -4.071 17.208 -9.010 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 2 . 331 . 1 1 13 . HB12 H -5.318 16.291 -8.199 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 2 . 332 . 1 1 13 . HB21 H -4.200 15.783 -5.239 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 2 . 333 . 1 1 13 . HB22 H -5.630 16.149 -6.204 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 2 . 334 . 1 1 13 . HB23 H -4.984 17.356 -5.092 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 2 . 335 . 1 1 13 . HG11 H -3.412 14.621 -7.661 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 2 . 336 . 1 1 13 . HG12 H -2.563 15.444 -8.969 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 2 . 337 . 1 1 13 . HG13 H -4.109 14.654 -9.281 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 2 . 338 . 1 1 13 . N N -2.449 16.760 -6.609 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 2 . 339 . 1 1 13 . O O -4.531 19.178 -7.902 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 2 . 340 . 1 1 14 HYP C C -2.414 21.444 -6.621 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 2 . 341 . 1 1 14 HYP CA C -3.535 20.773 -5.834 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 2 . 342 . 1 1 14 HYP CB C -3.377 21.050 -4.337 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 2 . 343 . 1 1 14 HYP CD C -2.807 18.714 -4.748 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 2 . 344 . 1 1 14 HYP CG C -2.673 19.851 -3.801 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 2 . 345 . 1 1 14 HYP HA H -4.488 21.151 -6.173 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 2 . 346 . 1 1 14 HYP HB2 H -2.794 21.949 -4.194 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 2 . 347 . 1 1 14 HYP HB3 H -4.350 21.170 -3.885 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 2 . 348 . 1 1 14 HYP HD1 H -4.120 19.718 -2.466 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 2 . 349 . 1 1 14 HYP HD22 H -1.849 18.297 -5.023 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 2 . 350 . 1 1 14 HYP HD23 H -3.431 17.960 -4.290 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 2 . 351 . 1 1 14 HYP HG H -1.616 20.062 -3.729 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 2 . 352 . 1 1 14 HYP N N -3.476 19.310 -5.916 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 2 . 353 . 1 1 14 HYP O O -2.363 22.669 -6.724 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 2 . 354 . 1 1 14 HYP OD1 O -3.191 19.480 -2.518 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 2 . 355 . 1 1 15 ABA C C -0.926 22.033 -9.077 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 2 . 356 . 1 1 15 ABA CA C -0.399 21.149 -7.952 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 2 . 357 . 1 1 15 ABA H H -1.613 19.665 -7.056 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 2 . 358 . 1 1 15 ABA N N -1.519 20.633 -7.174 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 2 . 359 . 1 1 15 ABA O O -0.569 23.205 -9.199 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 2 . 360 . 1 1 16 PRO C C -3.461 23.174 -10.608 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 2 . 361 . 1 1 16 PRO CA C -2.393 22.179 -11.052 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 2 . 362 . 1 1 16 PRO CB C -3.019 21.062 -11.891 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 2 . 363 . 1 1 16 PRO CD C -2.268 20.068 -9.837 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 2 . 364 . 1 1 16 PRO CG C -3.293 19.966 -10.920 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 2 . 365 . 1 1 16 PRO HA H -1.643 22.693 -11.635 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 2 . 366 . 1 1 16 PRO HB2 H -3.929 21.421 -12.351 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 2 . 367 . 1 1 16 PRO HB3 H -2.324 20.748 -12.655 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 2 . 368 . 1 1 16 PRO HD2 H -2.732 19.875 -8.881 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 2 . 369 . 1 1 16 PRO HD3 H -1.457 19.376 -10.011 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 2 . 370 . 1 1 16 PRO HG2 H -4.280 20.086 -10.501 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 2 . 371 . 1 1 16 PRO HG3 H -3.207 19.009 -11.414 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 2 . 372 . 1 1 16 PRO N N -1.798 21.460 -9.921 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 2 . 373 . 1 1 16 PRO O O -3.931 23.990 -11.402 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 2 . 374 . 1 1 17 PHL C C -4.239 24.947 -7.763 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 2 . 375 . 1 1 17 PHL CA C -4.851 23.996 -8.788 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 2 . 376 . 1 1 17 PHL CB C -5.979 23.189 -8.141 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 2 . 377 . 1 1 17 PHL CD1 C -7.724 23.776 -9.846 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 2 . 378 . 1 1 17 PHL CD2 C -7.441 21.483 -9.258 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 2 . 379 . 1 1 17 PHL CE1 C -8.728 23.430 -10.731 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 2 . 380 . 1 1 17 PHL CE2 C -8.444 21.130 -10.142 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 2 . 381 . 1 1 17 PHL CG C -7.070 22.809 -9.101 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 2 . 382 . 1 1 17 PHL CZ C -9.089 22.105 -10.878 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 2 . 383 . 1 1 17 PHL H H -3.427 22.430 -8.753 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 2 . 384 . 1 1 17 PHL HA H -5.256 24.576 -9.602 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 2 . 385 . 1 1 17 PHL HB2 H -5.570 22.280 -7.728 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 2 . 386 . 1 1 17 PHL HB3 H -6.421 23.774 -7.349 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 2 . 387 . 1 1 17 PHL HC1 H -4.042 24.406 -6.849 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 2 . 388 . 1 1 17 PHL HC2 H -3.316 25.347 -8.155 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 2 . 389 . 1 1 17 PHL HD1 H -7.442 24.814 -9.732 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 2 . 390 . 1 1 17 PHL HD2 H -6.939 20.720 -8.682 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 2 . 391 . 1 1 17 PHL HE1 H -9.230 24.194 -11.305 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 2 . 392 . 1 1 17 PHL HE2 H -8.725 20.093 -10.254 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 2 . 393 . 1 1 17 PHL HO H -4.705 26.638 -6.859 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 2 . 394 . 1 1 17 PHL HZ H -9.872 21.831 -11.569 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 2 . 395 . 1 1 17 PHL N N -3.838 23.102 -9.336 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 2 . 396 . 1 1 17 PHL O O -5.127 26.034 -7.474 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 3 . 397 . 1 1 1 ACE C C 1.486 0.919 -2.235 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 3 . 398 . 1 1 1 ACE CH3 C 2.067 -0.037 -1.212 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 3 . 399 . 1 1 1 ACE H1 H 2.820 0.472 -0.629 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 3 . 400 . 1 1 1 ACE H2 H 2.513 -0.880 -1.718 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 3 . 401 . 1 1 1 ACE H3 H 1.281 -0.386 -0.557 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 3 . 402 . 1 1 1 ACE O O 1.764 2.118 -2.203 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 3 . 403 . 1 1 2 PHE C C -0.897 2.225 -3.578 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 3 . 404 . 1 1 2 PHE CA C 0.058 1.202 -4.186 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 3 . 405 . 1 1 2 PHE CB C -0.692 0.314 -5.179 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 3 . 406 . 1 1 2 PHE CD1 C -2.087 1.867 -6.572 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 3 . 407 . 1 1 2 PHE CD2 C -0.230 0.780 -7.601 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 3 . 408 . 1 1 2 PHE CE1 C -2.381 2.499 -7.765 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 3 . 409 . 1 1 2 PHE CE2 C -0.520 1.410 -8.797 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 3 . 410 . 1 1 2 PHE CG C -1.010 1.000 -6.477 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 3 . 411 . 1 1 2 PHE CZ C -1.596 2.272 -8.879 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 3 . 412 . 1 1 2 PHE H H 0.495 -0.574 -3.120 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 3 . 413 . 1 1 2 PHE HA H 0.844 1.727 -4.707 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 3 . 414 . 1 1 2 PHE HB2 H -0.090 -0.554 -5.402 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 3 . 415 . 1 1 2 PHE HB3 H -1.623 -0.005 -4.734 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 3 . 416 . 1 1 2 PHE HD1 H -2.701 2.047 -5.702 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 3 . 417 . 1 1 2 PHE HD2 H 0.613 0.106 -7.538 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 3 . 418 . 1 1 2 PHE HE1 H -3.223 3.172 -7.827 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 3 . 419 . 1 1 2 PHE HE2 H 0.096 1.230 -9.665 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 3 . 420 . 1 1 2 PHE HZ H -1.824 2.764 -9.812 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 3 . 421 . 1 1 2 PHE N N 0.678 0.388 -3.146 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 3 . 422 . 1 1 2 PHE O O -0.772 3.426 -3.817 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 3 . 423 . 1 1 3 ABA C C -2.104 3.707 -1.378 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 3 . 424 . 1 1 3 ABA CA C -2.829 2.610 -2.149 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 3 . 425 . 1 1 3 ABA H H -1.900 0.773 -2.639 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 3 . 426 . 1 1 3 ABA N N -1.852 1.739 -2.791 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 3 . 427 . 1 1 3 ABA O O -2.422 4.888 -1.511 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 3 . 428 . 1 1 4 ABA C C 0.382 5.216 -0.707 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 3 . 429 . 1 1 4 ABA CA C -0.355 4.258 0.223 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 3 . 430 . 1 1 4 ABA H H -0.919 2.353 -0.507 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 3 . 431 . 1 1 4 ABA N N -1.126 3.308 -0.570 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 3 . 432 . 1 1 4 ABA O O 0.509 6.405 -0.415 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 3 . 433 . 1 1 5 ABA C C 0.730 6.685 -3.217 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 3 . 434 . 1 1 5 ABA CA C 1.592 5.499 -2.799 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 3 . 435 . 1 1 5 ABA H H 0.734 3.736 -2.003 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 3 . 436 . 1 1 5 ABA N N 0.867 4.690 -1.827 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 3 . 437 . 1 1 5 ABA O O 1.244 7.760 -3.526 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 3 . 438 . 1 1 6 . C C -1.225 8.792 -2.791 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 3 . 439 . 1 1 6 . CA C -1.517 7.536 -3.605 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 3 . 440 . 1 1 6 . CB1 C -1.359 7.844 -5.090 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 3 . 441 . 1 1 6 . CB2 C -2.944 7.073 -3.330 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 3 . 442 . 1 1 6 . CG1 C -1.347 6.612 -5.969 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 3 . 443 . 1 1 6 . H H -0.933 5.604 -2.968 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 3 . 444 . 1 1 6 . HB11 H -0.434 8.378 -5.247 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 3 . 445 . 1 1 6 . HB12 H -2.171 8.479 -5.411 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 3 . 446 . 1 1 6 . HB21 H -3.631 7.646 -3.936 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 3 . 447 . 1 1 6 . HB22 H -3.176 7.221 -2.286 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 3 . 448 . 1 1 6 . HB23 H -3.036 6.025 -3.575 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 3 . 449 . 1 1 6 . HG11 H -2.186 5.981 -5.715 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 3 . 450 . 1 1 6 . HG12 H -0.427 6.069 -5.815 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 3 . 451 . 1 1 6 . HG13 H -1.422 6.909 -7.005 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 3 . 452 . 1 1 6 . N N -0.584 6.482 -3.224 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 3 . 453 . 1 1 6 . O O -1.402 9.910 -3.272 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 3 . 454 . 1 1 7 GLY C C 0.484 10.711 -1.347 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 3 . 455 . 1 1 7 GLY CA C -0.465 9.726 -0.694 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 3 . 456 . 1 1 7 GLY H H -0.653 7.685 -1.224 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 3 . 457 . 1 1 7 GLY HA2 H -1.383 10.238 -0.445 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 3 . 458 . 1 1 7 GLY HA3 H -0.013 9.356 0.215 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 3 . 459 . 1 1 7 GLY N N -0.775 8.599 -1.555 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 3 . 460 . 1 1 7 GLY O O 0.386 11.919 -1.127 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 3 . 461 . 1 1 8 LEU C C 1.737 11.769 -4.010 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 3 . 462 . 1 1 8 LEU CA C 2.381 11.037 -2.838 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 3 . 463 . 1 1 8 LEU CB C 3.557 10.193 -3.332 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 3 . 464 . 1 1 8 LEU CD1 C 5.658 8.948 -2.768 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 3 . 465 . 1 1 8 LEU CD2 C 4.400 10.151 -0.972 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 3 . 466 . 1 1 8 LEU CG C 4.283 9.366 -2.271 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 3 . 467 . 1 1 8 LEU H H 1.436 9.225 -2.287 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 3 . 468 . 1 1 8 LEU HA H 2.745 11.767 -2.130 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 3 . 469 . 1 1 8 LEU HB2 H 3.183 9.513 -4.082 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 3 . 470 . 1 1 8 LEU HB3 H 4.277 10.862 -3.782 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 3 . 471 . 1 1 8 LEU HD11 H 5.549 8.200 -3.539 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 3 . 472 . 1 1 8 LEU HD12 H 6.228 8.539 -1.948 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 3 . 473 . 1 1 8 LEU HD13 H 6.172 9.808 -3.171 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 3 . 474 . 1 1 8 LEU HD21 H 5.194 9.733 -0.371 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 3 . 475 . 1 1 8 LEU HD22 H 3.468 10.089 -0.429 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 3 . 476 . 1 1 8 LEU HD23 H 4.621 11.184 -1.194 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 3 . 477 . 1 1 8 LEU HG H 3.713 8.469 -2.070 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 3 . 478 . 1 1 8 LEU N N 1.408 10.195 -2.151 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 3 . 479 . 1 1 8 LEU O O 2.195 12.837 -4.416 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 3 . 480 . 1 1 9 ABA C C -1.001 12.852 -5.160 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 3 . 481 . 1 1 9 ABA CA C -0.039 11.787 -5.674 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 3 . 482 . 1 1 9 ABA H H 0.352 10.338 -4.182 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 3 . 483 . 1 1 9 ABA N N 0.670 11.188 -4.550 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 3 . 484 . 1 1 9 ABA O O -1.484 13.688 -5.924 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 3 . 485 . 1 1 10 ABA C C -1.654 15.192 -3.476 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 3 . 486 . 1 1 10 ABA CA C -2.181 13.780 -3.244 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 3 . 487 . 1 1 10 ABA H H -0.860 12.127 -3.303 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 3 . 488 . 1 1 10 ABA N N -1.276 12.817 -3.860 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 3 . 489 . 1 1 10 ABA O O -2.351 16.062 -3.999 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 3 . 490 . 1 1 11 HYP C C 0.218 17.230 -4.674 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 3 . 491 . 1 1 11 HYP CA C 0.253 16.733 -3.233 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 3 . 492 . 1 1 11 HYP CB C 1.695 16.468 -2.793 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 3 . 493 . 1 1 11 HYP CD C 0.493 14.437 -2.447 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 3 . 494 . 1 1 11 HYP CG C 1.611 15.256 -1.930 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 3 . 495 . 1 1 11 HYP HA H -0.191 17.476 -2.586 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 3 . 496 . 1 1 11 HYP HB2 H 2.313 16.292 -3.663 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 3 . 497 . 1 1 11 HYP HB3 H 2.070 17.318 -2.244 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 3 . 498 . 1 1 11 HYP HD1 H 2.604 15.035 -0.240 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 3 . 499 . 1 1 11 HYP HD22 H 0.715 13.629 -3.129 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 3 . 500 . 1 1 11 HYP HD23 H 0.058 14.055 -1.536 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 3 . 501 . 1 1 11 HYP HG H 2.315 14.517 -2.284 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 3 . 502 . 1 1 11 HYP N N -0.395 15.427 -3.078 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 3 . 503 . 1 1 11 HYP O O 0.412 18.417 -4.935 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 3 . 504 . 1 1 11 HYP OD1 O 1.882 15.580 -0.561 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 3 . 505 . 1 1 12 GLN C C -1.499 17.086 -7.418 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 3 . 506 . 1 1 12 GLN CA C -0.089 16.662 -7.020 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 3 . 507 . 1 1 12 GLN CB C 0.361 15.477 -7.877 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 3 . 508 . 1 1 12 GLN CD C 2.569 16.518 -8.531 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 3 . 509 . 1 1 12 GLN CG C 1.871 15.310 -7.938 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 3 . 510 . 1 1 12 GLN H H -0.175 15.385 -5.334 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 3 . 511 . 1 1 12 GLN HA H 0.583 17.490 -7.186 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 3 . 512 . 1 1 12 GLN HB2 H -0.064 14.572 -7.470 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 3 . 513 . 1 1 12 GLN HB3 H -0.004 15.617 -8.883 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 3 . 514 . 1 1 12 GLN HE21 H 3.180 17.082 -6.725 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 3 . 515 . 1 1 12 GLN HE22 H 3.659 18.104 -8.033 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 3 . 516 . 1 1 12 GLN HG2 H 2.244 15.154 -6.936 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 3 . 517 . 1 1 12 GLN HG3 H 2.100 14.446 -8.545 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 3 . 518 . 1 1 12 GLN N N -0.029 16.315 -5.605 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 3 . 519 . 1 1 12 GLN NE2 N 3.199 17.316 -7.677 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 3 . 520 . 1 1 12 GLN O O -1.700 17.702 -8.463 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 3 . 521 . 1 1 12 GLN OE1 O 2.541 16.732 -9.743 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 3 . 522 . 1 1 13 . C C -4.008 18.612 -6.902 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 3 . 523 . 1 1 13 . CA C -3.863 17.095 -6.842 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 3 . 524 . 1 1 13 . CB1 C -4.293 16.489 -8.174 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 3 . 525 . 1 1 13 . CB2 C -4.745 16.544 -5.725 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 3 . 526 . 1 1 13 . CG1 C -3.571 15.206 -8.521 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 3 . 527 . 1 1 13 . H H -2.248 16.258 -5.760 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 3 . 528 . 1 1 13 . HB11 H -4.112 17.202 -8.964 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 3 . 529 . 1 1 13 . HB12 H -5.353 16.283 -8.146 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 3 . 530 . 1 1 13 . HB21 H -4.996 17.340 -5.039 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 3 . 531 . 1 1 13 . HB22 H -4.212 15.768 -5.196 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 3 . 532 . 1 1 13 . HB23 H -5.650 16.136 -6.150 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 3 . 533 . 1 1 13 . HG11 H -2.603 15.439 -8.940 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 3 . 534 . 1 1 13 . HG12 H -4.151 14.650 -9.242 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 3 . 535 . 1 1 13 . HG13 H -3.443 14.612 -7.628 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 3 . 536 . 1 1 13 . N N -2.472 16.750 -6.577 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 3 . 537 . 1 1 13 . O O -4.565 19.169 -7.848 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 3 . 538 . 1 1 14 HYP C C -2.440 21.433 -6.576 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 3 . 539 . 1 1 14 HYP CA C -3.554 20.759 -5.783 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 3 . 540 . 1 1 14 HYP CB C -3.385 21.033 -4.286 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 3 . 541 . 1 1 14 HYP CD C -2.817 18.698 -4.708 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 3 . 542 . 1 1 14 HYP CG C -2.677 19.833 -3.759 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 3 . 543 . 1 1 14 HYP HA H -4.510 21.138 -6.114 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 3 . 544 . 1 1 14 HYP HB2 H -2.801 21.931 -4.145 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 3 . 545 . 1 1 14 HYP HB3 H -4.355 21.152 -3.827 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 3 . 546 . 1 1 14 HYP HD1 H -2.309 19.765 -1.822 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 3 . 547 . 1 1 14 HYP HD22 H -1.861 18.282 -4.992 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 3 . 548 . 1 1 14 HYP HD23 H -3.437 17.943 -4.248 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 3 . 549 . 1 1 14 HYP HG H -1.610 19.990 -3.829 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 3 . 550 . 1 1 14 HYP N N -3.495 19.297 -5.870 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 3 . 551 . 1 1 14 HYP O O -2.390 22.658 -6.677 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 3 . 552 . 1 1 14 HYP OD1 O -3.049 19.570 -2.401 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 3 . 553 . 1 1 15 ABA C C -0.970 22.029 -9.042 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 3 . 554 . 1 1 15 ABA CA C -0.434 21.143 -7.923 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 3 . 555 . 1 1 15 ABA H H -1.641 19.656 -7.022 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 3 . 556 . 1 1 15 ABA N N -1.547 20.624 -7.138 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 3 . 557 . 1 1 15 ABA O O -0.614 23.202 -9.163 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 3 . 558 . 1 1 16 PRO C C -3.516 23.173 -10.551 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 3 . 559 . 1 1 16 PRO CA C -2.452 22.180 -11.005 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 3 . 560 . 1 1 16 PRO CB C -3.083 21.066 -11.844 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 3 . 561 . 1 1 16 PRO CD C -2.317 20.066 -9.797 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 3 . 562 . 1 1 16 PRO CG C -3.349 19.967 -10.874 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 3 . 563 . 1 1 16 PRO HA H -1.706 22.696 -11.592 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 3 . 564 . 1 1 16 PRO HB2 H -3.997 21.425 -12.295 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 3 . 565 . 1 1 16 PRO HB3 H -2.393 20.754 -12.613 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 3 . 566 . 1 1 16 PRO HD2 H -2.773 19.870 -8.838 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 3 . 567 . 1 1 16 PRO HD3 H -1.506 19.375 -9.980 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 3 . 568 . 1 1 16 PRO HG2 H -4.333 20.085 -10.446 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 3 . 569 . 1 1 16 PRO HG3 H -3.267 19.011 -11.370 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 3 . 570 . 1 1 16 PRO N N -1.847 21.459 -9.881 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 3 . 571 . 1 1 16 PRO O O -3.993 23.991 -11.339 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 3 . 572 . 1 1 17 PHL C C -4.327 24.785 -7.545 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 3 . 573 . 1 1 17 PHL CA C -4.893 23.990 -8.718 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 3 . 574 . 1 1 17 PHL CB C -6.116 23.191 -8.264 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 3 . 575 . 1 1 17 PHL CD1 C -7.528 21.694 -9.701 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 3 . 576 . 1 1 17 PHL CD2 C -7.681 24.051 -10.027 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 3 . 577 . 1 1 17 PHL CE1 C -8.459 21.491 -10.702 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 3 . 578 . 1 1 17 PHL CE2 C -8.613 23.855 -11.028 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 3 . 579 . 1 1 17 PHL CG C -7.129 22.974 -9.352 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 3 . 580 . 1 1 17 PHL CZ C -9.002 22.573 -11.367 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 3 . 581 . 1 1 17 PHL H H -3.468 22.425 -8.698 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 3 . 582 . 1 1 17 PHL HA H -5.191 24.679 -9.494 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 3 . 583 . 1 1 17 PHL HB2 H -5.795 22.222 -7.914 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 3 . 584 . 1 1 17 PHL HB3 H -6.602 23.718 -7.457 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 3 . 585 . 1 1 17 PHL HC1 H -4.412 24.198 -6.643 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 3 . 586 . 1 1 17 PHL HC2 H -3.288 25.010 -7.736 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 3 . 587 . 1 1 17 PHL HD1 H -7.103 20.847 -9.181 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 3 . 588 . 1 1 17 PHL HD2 H -7.377 25.054 -9.764 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 3 . 589 . 1 1 17 PHL HE1 H -8.761 20.488 -10.964 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 3 . 590 . 1 1 17 PHL HE2 H -9.036 24.702 -11.547 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 3 . 591 . 1 1 17 PHL HO H -5.065 26.237 -6.431 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 3 . 592 . 1 1 17 PHL HZ H -9.730 22.417 -12.148 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 3 . 593 . 1 1 17 PHL N N -3.884 23.098 -9.277 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 3 . 594 . 1 1 17 PHL O O -5.039 26.015 -7.365 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 4 . 595 . 1 1 1 ACE C C 1.462 0.956 -2.254 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 4 . 596 . 1 1 1 ACE CH3 C 2.036 -0.001 -1.228 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 4 . 597 . 1 1 1 ACE H1 H 2.607 0.553 -0.498 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 4 . 598 . 1 1 1 ACE H2 H 2.679 -0.715 -1.721 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 4 . 599 . 1 1 1 ACE H3 H 1.231 -0.525 -0.733 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 4 . 600 . 1 1 1 ACE O O 1.738 2.155 -2.219 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 4 . 601 . 1 1 2 PHE C C -0.913 2.262 -3.612 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 4 . 602 . 1 1 2 PHE CA C 0.047 1.240 -4.214 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 4 . 603 . 1 1 2 PHE CB C -0.697 0.352 -5.214 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 4 . 604 . 1 1 2 PHE CD1 C -2.161 1.785 -6.663 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 4 . 605 . 1 1 2 PHE CD2 C -0.131 0.940 -7.587 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 4 . 606 . 1 1 2 PHE CE1 C -2.445 2.417 -7.859 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 4 . 607 . 1 1 2 PHE CE2 C -0.410 1.570 -8.785 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 4 . 608 . 1 1 2 PHE CG C -1.002 1.039 -6.514 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 4 . 609 . 1 1 2 PHE CZ C -1.568 2.311 -8.921 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 4 . 610 . 1 1 2 PHE H H 0.477 -0.537 -3.148 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 4 . 611 . 1 1 2 PHE HA H 0.836 1.766 -4.730 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 4 . 612 . 1 1 2 PHE HB2 H -0.093 -0.516 -5.432 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 4 . 613 . 1 1 2 PHE HB3 H -1.631 0.035 -4.777 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 4 . 614 . 1 1 2 PHE HD1 H -2.847 1.870 -5.834 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 4 . 615 . 1 1 2 PHE HD2 H 0.775 0.361 -7.482 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 4 . 616 . 1 1 2 PHE HE1 H -3.350 2.996 -7.963 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 4 . 617 . 1 1 2 PHE HE2 H 0.278 1.485 -9.613 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 4 . 618 . 1 1 2 PHE HZ H -1.787 2.804 -9.856 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 4 . 619 . 1 1 2 PHE N N 0.660 0.426 -3.172 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 4 . 620 . 1 1 2 PHE O O -0.787 3.463 -3.849 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 4 . 621 . 1 1 3 ABA C C -2.136 3.741 -1.418 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 4 . 622 . 1 1 3 ABA CA C -2.855 2.644 -2.196 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 4 . 623 . 1 1 3 ABA H H -1.922 0.808 -2.681 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 4 . 624 . 1 1 3 ABA N N -1.873 1.775 -2.832 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 4 . 625 . 1 1 3 ABA O O -2.454 4.922 -1.552 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 4 . 626 . 1 1 4 ABA C C 0.345 5.250 -0.729 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 4 . 627 . 1 1 4 ABA CA C -0.398 4.291 0.195 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 4 . 628 . 1 1 4 ABA H H -0.956 2.386 -0.541 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 4 . 629 . 1 1 4 ABA N N -1.163 3.341 -0.605 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 4 . 630 . 1 1 4 ABA O O 0.469 6.439 -0.435 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 4 . 631 . 1 1 5 ABA C C 0.708 6.723 -3.235 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 4 . 632 . 1 1 5 ABA CA C 1.568 5.536 -2.813 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 4 . 633 . 1 1 5 ABA H H 0.706 3.772 -2.025 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 4 . 634 . 1 1 5 ABA N N 0.837 4.726 -1.846 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 4 . 635 . 1 1 5 ABA O O 1.224 7.798 -3.539 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 4 . 636 . 1 1 6 . C C -1.250 8.828 -2.819 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 4 . 637 . 1 1 6 . CA C -1.536 7.572 -3.637 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 4 . 638 . 1 1 6 . CB1 C -1.368 7.882 -5.120 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 4 . 639 . 1 1 6 . CB2 C -2.965 7.109 -3.373 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 4 . 640 . 1 1 6 . CG1 C -1.350 6.652 -6.001 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 4 . 641 . 1 1 6 . H H -0.955 5.640 -2.998 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 4 . 642 . 1 1 6 . HB11 H -0.443 8.418 -5.270 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 4 . 643 . 1 1 6 . HB12 H -2.178 8.518 -5.446 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 4 . 644 . 1 1 6 . HB21 H -3.643 7.641 -4.024 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 4 . 645 . 1 1 6 . HB22 H -3.224 7.308 -2.343 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 4 . 646 . 1 1 6 . HB23 H -3.041 6.048 -3.564 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 4 . 647 . 1 1 6 . HG11 H -1.643 5.790 -5.421 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 4 . 648 . 1 1 6 . HG12 H -0.353 6.502 -6.390 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 4 . 649 . 1 1 6 . HG13 H -2.040 6.786 -6.821 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 4 . 650 . 1 1 6 . N N -0.605 6.519 -3.251 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 4 . 651 . 1 1 6 . O O -1.426 9.947 -3.300 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 4 . 652 . 1 1 7 GLY C C 0.448 10.746 -1.361 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 4 . 653 . 1 1 7 GLY CA C -0.506 9.760 -0.716 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 4 . 654 . 1 1 7 GLY H H -0.688 7.719 -1.250 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 4 . 655 . 1 1 7 GLY HA2 H -1.425 10.270 -0.472 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 4 . 656 . 1 1 7 GLY HA3 H -0.059 9.389 0.195 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 4 . 657 . 1 1 7 GLY N N -0.809 8.634 -1.580 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 4 . 658 . 1 1 7 GLY O O 0.347 11.953 -1.141 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 4 . 659 . 1 1 8 LEU C C 1.717 11.809 -4.015 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 4 . 660 . 1 1 8 LEU CA C 2.354 11.076 -2.839 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 4 . 661 . 1 1 8 LEU CB C 3.533 10.233 -3.327 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 4 . 662 . 1 1 8 LEU CD1 C 5.631 8.988 -2.750 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 4 . 663 . 1 1 8 LEU CD2 C 4.360 10.187 -0.961 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 4 . 664 . 1 1 8 LEU CG C 4.253 9.405 -2.262 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 4 . 665 . 1 1 8 LEU H H 1.407 9.263 -2.297 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 4 . 666 . 1 1 8 LEU HA H 2.713 11.805 -2.128 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 4 . 667 . 1 1 8 LEU HB2 H 3.165 9.554 -4.080 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 4 . 668 . 1 1 8 LEU HB3 H 4.256 10.903 -3.771 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 4 . 669 . 1 1 8 LEU HD11 H 5.529 8.240 -3.522 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 4 . 670 . 1 1 8 LEU HD12 H 6.197 8.580 -1.926 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 4 . 671 . 1 1 8 LEU HD13 H 6.147 9.849 -3.149 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 4 . 672 . 1 1 8 LEU HD21 H 5.188 9.807 -0.380 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 4 . 673 . 1 1 8 LEU HD22 H 3.445 10.076 -0.398 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 4 . 674 . 1 1 8 LEU HD23 H 4.524 11.231 -1.181 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 4 . 675 . 1 1 8 LEU HG H 3.683 8.507 -2.067 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 4 . 676 . 1 1 8 LEU N N 1.377 10.232 -2.160 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 4 . 677 . 1 1 8 LEU O O 2.177 12.877 -4.416 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 4 . 678 . 1 1 9 ABA C C -1.014 12.891 -5.182 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 4 . 679 . 1 1 9 ABA CA C -0.048 11.827 -5.691 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 4 . 680 . 1 1 9 ABA H H 0.335 10.376 -4.198 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 4 . 681 . 1 1 9 ABA N N 0.654 11.228 -4.562 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 4 . 682 . 1 1 9 ABA O O -1.492 13.727 -5.948 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 4 . 683 . 1 1 10 ABA C C -1.681 15.228 -3.499 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 4 . 684 . 1 1 10 ABA CA C -2.207 13.815 -3.272 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 4 . 685 . 1 1 10 ABA H H -0.885 12.163 -3.325 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 4 . 686 . 1 1 10 ABA N N -1.298 12.853 -3.884 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 4 . 687 . 1 1 10 ABA O O -2.375 16.098 -4.025 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 4 . 688 . 1 1 11 HYP C C 0.198 17.269 -4.682 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 4 . 689 . 1 1 11 HYP CA C 0.223 16.770 -3.241 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 4 . 690 . 1 1 11 HYP CB C 1.663 16.506 -2.792 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 4 . 691 . 1 1 11 HYP CD C 0.460 14.473 -2.457 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 4 . 692 . 1 1 11 HYP CG C 1.574 15.293 -1.931 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 4 . 693 . 1 1 11 HYP HA H -0.226 17.512 -2.597 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 4 . 694 . 1 1 11 HYP HB2 H 2.286 16.332 -3.658 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 4 . 695 . 1 1 11 HYP HB3 H 2.033 17.356 -2.239 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 4 . 696 . 1 1 11 HYP HD1 H 2.710 15.400 -0.321 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 4 . 697 . 1 1 11 HYP HD22 H 0.688 13.666 -3.138 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 4 . 698 . 1 1 11 HYP HD23 H 0.019 14.090 -1.549 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 4 . 699 . 1 1 11 HYP HG H 2.297 14.565 -2.267 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 4 . 700 . 1 1 11 HYP N N -0.425 15.464 -3.092 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 4 . 701 . 1 1 11 HYP O O 0.392 18.457 -4.939 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 4 . 702 . 1 1 11 HYP OD1 O 1.805 15.620 -0.555 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 4 . 703 . 1 1 12 GLN C C -1.501 17.127 -7.437 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 4 . 704 . 1 1 12 GLN CA C -0.093 16.704 -7.031 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 4 . 705 . 1 1 12 GLN CB C 0.364 15.521 -7.886 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 4 . 706 . 1 1 12 GLN CD C 2.583 16.608 -8.413 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 4 . 707 . 1 1 12 GLN CG C 1.874 15.355 -7.937 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 4 . 708 . 1 1 12 GLN H H -0.189 15.425 -5.347 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 4 . 709 . 1 1 12 GLN HA H 0.579 17.533 -7.191 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 4 . 710 . 1 1 12 GLN HB2 H -0.063 14.615 -7.483 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 4 . 711 . 1 1 12 GLN HB3 H 0.005 15.661 -8.895 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 4 . 712 . 1 1 12 GLN HE21 H 3.508 16.779 -6.661 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 4 . 713 . 1 1 12 GLN HE22 H 3.877 17.999 -7.827 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 4 . 714 . 1 1 12 GLN HG2 H 2.231 15.112 -6.947 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 4 . 715 . 1 1 12 GLN HG3 H 2.112 14.546 -8.612 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 4 . 716 . 1 1 12 GLN N N -0.043 16.355 -5.616 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 4 . 717 . 1 1 12 GLN NE2 N 3.405 17.188 -7.546 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 4 . 718 . 1 1 12 GLN O O -1.696 17.745 -8.483 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 4 . 719 . 1 1 12 GLN OE1 O 2.394 17.050 -9.546 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 4 . 720 . 1 1 13 . C C -4.015 18.650 -6.937 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 4 . 721 . 1 1 13 . CA C -3.869 17.133 -6.877 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 4 . 722 . 1 1 13 . CB1 C -4.289 16.529 -8.213 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 4 . 723 . 1 1 13 . CB2 C -4.757 16.580 -5.767 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 4 . 724 . 1 1 13 . CG1 C -3.564 15.246 -8.556 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 4 . 725 . 1 1 13 . H H -2.260 16.296 -5.785 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 4 . 726 . 1 1 13 . HB11 H -4.103 17.243 -9.001 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 4 . 727 . 1 1 13 . HB12 H -5.349 16.322 -8.193 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 4 . 728 . 1 1 13 . HB21 H -5.659 16.172 -6.198 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 4 . 729 . 1 1 13 . HB22 H -5.013 17.375 -5.082 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 4 . 730 . 1 1 13 . HB23 H -4.228 15.803 -5.236 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 4 . 731 . 1 1 13 . HG11 H -3.441 14.652 -7.663 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 4 . 732 . 1 1 13 . HG12 H -2.593 15.481 -8.969 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 4 . 733 . 1 1 13 . HG13 H -4.139 14.691 -9.282 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 4 . 734 . 1 1 13 . N N -2.479 16.789 -6.604 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 4 . 735 . 1 1 13 . O O -4.566 19.208 -7.886 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 4 . 736 . 1 1 14 HYP C C -2.451 21.472 -6.597 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 4 . 737 . 1 1 14 HYP CA C -3.570 20.796 -5.812 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 4 . 738 . 1 1 14 HYP CB C -3.412 21.068 -4.314 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 4 . 739 . 1 1 14 HYP CD C -2.838 18.734 -4.735 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 4 . 740 . 1 1 14 HYP CG C -2.706 19.868 -3.784 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 4 . 741 . 1 1 14 HYP HA H -4.524 21.175 -6.149 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 4 . 742 . 1 1 14 HYP HB2 H -2.830 21.967 -4.168 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 4 . 743 . 1 1 14 HYP HB3 H -4.385 21.185 -3.860 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 4 . 744 . 1 1 14 HYP HD1 H -3.504 18.761 -2.359 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 4 . 745 . 1 1 14 HYP HD22 H -1.880 18.320 -5.012 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 4 . 746 . 1 1 14 HYP HD23 H -3.461 17.978 -4.280 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 4 . 747 . 1 1 14 HYP HG H -1.639 20.020 -3.860 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 4 . 748 . 1 1 14 HYP N N -3.509 19.335 -5.900 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 4 . 749 . 1 1 14 HYP O O -2.402 22.698 -6.695 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 4 . 750 . 1 1 14 HYP OD1 O -3.071 19.615 -2.421 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 4 . 751 . 1 1 15 ABA C C -0.965 22.073 -9.052 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 4 . 752 . 1 1 15 ABA CA C -0.436 21.185 -7.931 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 4 . 753 . 1 1 15 ABA H H -1.647 19.696 -7.040 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 4 . 754 . 1 1 15 ABA N N -1.554 20.665 -7.154 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 4 . 755 . 1 1 15 ABA O O -0.610 23.246 -9.169 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 4 . 756 . 1 1 16 PRO C C -3.503 23.217 -10.576 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 4 . 757 . 1 1 16 PRO CA C -2.434 22.225 -11.024 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 4 . 758 . 1 1 16 PRO CB C -3.059 21.111 -11.868 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 4 . 759 . 1 1 16 PRO CD C -2.305 20.109 -9.818 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 4 . 760 . 1 1 16 PRO CG C -3.331 20.011 -10.902 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 4 . 761 . 1 1 16 PRO HA H -1.685 22.743 -11.606 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 4 . 762 . 1 1 16 PRO HB2 H -3.970 21.471 -12.326 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 4 . 763 . 1 1 16 PRO HB3 H -2.363 20.801 -12.634 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 4 . 764 . 1 1 16 PRO HD2 H -2.769 19.912 -8.863 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 4 . 765 . 1 1 16 PRO HD3 H -1.494 19.419 -9.996 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 4 . 766 . 1 1 16 PRO HG2 H -4.318 20.127 -10.481 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 4 . 767 . 1 1 16 PRO HG3 H -3.244 19.056 -11.399 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 4 . 768 . 1 1 16 PRO N N -1.837 21.503 -9.897 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 4 . 769 . 1 1 16 PRO O O -3.975 24.035 -11.366 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 4 . 770 . 1 1 17 PHL C C -4.265 25.046 -7.803 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 4 . 771 . 1 1 17 PHL CA C -4.893 24.029 -8.752 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 4 . 772 . 1 1 17 PHL CB C -5.964 23.223 -8.015 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 4 . 773 . 1 1 17 PHL CD1 C -7.638 23.298 -9.883 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 4 . 774 . 1 1 17 PHL CD2 C -7.196 21.199 -8.842 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 4 . 775 . 1 1 17 PHL CE1 C -8.547 22.691 -10.729 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 4 . 776 . 1 1 17 PHL CE2 C -8.104 20.586 -9.685 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 4 . 777 . 1 1 17 PHL CG C -6.952 22.560 -8.932 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 4 . 778 . 1 1 17 PHL CZ C -8.781 21.334 -10.629 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 4 . 779 . 1 1 17 PHL H H -3.467 22.465 -8.724 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 4 . 780 . 1 1 17 PHL HA H -5.353 24.557 -9.573 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 4 . 781 . 1 1 17 PHL HB2 H -5.486 22.451 -7.431 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 4 . 782 . 1 1 17 PHL HB3 H -6.511 23.881 -7.356 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 4 . 783 . 1 1 17 PHL HC1 H -4.640 24.881 -6.804 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 4 . 784 . 1 1 17 PHL HC2 H -3.191 24.927 -7.814 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 4 . 785 . 1 1 17 PHL HD1 H -7.455 24.361 -9.962 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 4 . 786 . 1 1 17 PHL HD2 H -6.668 20.613 -8.104 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 4 . 787 . 1 1 17 PHL HE1 H -9.075 23.279 -11.466 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 4 . 788 . 1 1 17 PHL HE2 H -8.285 19.525 -9.605 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 4 . 789 . 1 1 17 PHL HO H -3.902 26.984 -7.885 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 4 . 790 . 1 1 17 PHL HZ H -9.491 20.858 -11.289 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 4 . 791 . 1 1 17 PHL N N -3.880 23.139 -9.304 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 4 . 792 . 1 1 17 PHL O O -4.584 26.386 -8.200 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 5 . 793 . 1 1 1 ACE C C 1.516 0.950 -2.235 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 5 . 794 . 1 1 1 ACE CH3 C 2.108 -0.003 -1.217 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 5 . 795 . 1 1 1 ACE H1 H 1.411 -0.806 -1.026 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 5 . 796 . 1 1 1 ACE H2 H 2.306 0.528 -0.297 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 5 . 797 . 1 1 1 ACE H3 H 3.032 -0.413 -1.601 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 5 . 798 . 1 1 1 ACE O O 1.793 2.150 -2.208 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 5 . 799 . 1 1 2 PHE C C -0.881 2.252 -3.558 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 5 . 800 . 1 1 2 PHE CA C 0.070 1.229 -4.173 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 5 . 801 . 1 1 2 PHE CB C -0.690 0.339 -5.158 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 5 . 802 . 1 1 2 PHE CD1 C -0.089 1.034 -7.493 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 5 . 803 . 1 1 2 PHE CD2 C -2.232 1.645 -6.645 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 5 . 804 . 1 1 2 PHE CE1 C -0.382 1.660 -8.690 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 5 . 805 . 1 1 2 PHE CE2 C -2.530 2.273 -7.840 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 5 . 806 . 1 1 2 PHE CG C -1.010 1.020 -6.458 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 5 . 807 . 1 1 2 PHE CZ C -1.604 2.280 -8.864 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 5 . 808 . 1 1 2 PHE H H 0.518 -0.546 -3.109 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 5 . 809 . 1 1 2 PHE HA H 0.850 1.754 -4.703 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 5 . 810 . 1 1 2 PHE HB2 H -0.092 -0.533 -5.379 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 5 . 811 . 1 1 2 PHE HB3 H -1.620 0.027 -4.707 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 5 . 812 . 1 1 2 PHE HD1 H 0.867 0.549 -7.359 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 5 . 813 . 1 1 2 PHE HD2 H -2.959 1.640 -5.844 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 5 . 814 . 1 1 2 PHE HE1 H 0.344 1.664 -9.489 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 5 . 815 . 1 1 2 PHE HE2 H -3.487 2.756 -7.972 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 5 . 816 . 1 1 2 PHE HZ H -1.834 2.770 -9.798 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 5 . 817 . 1 1 2 PHE N N 0.700 0.417 -3.139 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 5 . 818 . 1 1 2 PHE O O -0.759 3.453 -3.799 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 5 . 819 . 1 1 3 ABA C C -2.067 3.736 -1.348 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 5 . 820 . 1 1 3 ABA CA C -2.800 2.638 -2.111 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 5 . 821 . 1 1 3 ABA H H -1.873 0.800 -2.607 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 5 . 822 . 1 1 3 ABA N N -1.828 1.767 -2.761 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 5 . 823 . 1 1 3 ABA O O -2.389 4.917 -1.480 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 5 . 824 . 1 1 4 ABA C C 0.424 5.248 -0.703 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 5 . 825 . 1 1 4 ABA CA C -0.304 4.291 0.235 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 5 . 826 . 1 1 4 ABA H H -0.873 2.384 -0.487 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 5 . 827 . 1 1 4 ABA N N -1.082 3.340 -0.550 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 5 . 828 . 1 1 4 ABA O O 0.553 6.437 -0.414 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 5 . 829 . 1 1 5 ABA C C 0.745 6.714 -3.220 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 5 . 830 . 1 1 5 ABA CA C 1.612 5.529 -2.808 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 5 . 831 . 1 1 5 ABA H H 0.763 3.767 -2.002 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 5 . 832 . 1 1 5 ABA N N 0.897 4.721 -1.828 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 5 . 833 . 1 1 5 ABA O O 1.255 7.789 -3.535 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 5 . 834 . 1 1 6 . C C -1.208 8.820 -2.778 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 5 . 835 . 1 1 6 . CA C -1.507 7.562 -3.586 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 5 . 836 . 1 1 6 . CB1 C -1.363 7.868 -5.074 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 5 . 837 . 1 1 6 . CB2 C -2.931 7.099 -3.298 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 5 . 838 . 1 1 6 . CG1 C -1.359 6.635 -5.951 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 5 . 839 . 1 1 6 . H H -0.914 5.632 -2.953 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 5 . 840 . 1 1 6 . HB11 H -0.440 8.403 -5.240 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 5 . 841 . 1 1 6 . HB12 H -2.178 8.503 -5.388 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 5 . 842 . 1 1 6 . HB21 H -3.066 6.095 -3.674 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 5 . 843 . 1 1 6 . HB22 H -3.631 7.763 -3.783 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 5 . 844 . 1 1 6 . HB23 H -3.104 7.110 -2.232 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 5 . 845 . 1 1 6 . HG11 H -1.763 6.883 -6.922 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 5 . 846 . 1 1 6 . HG12 H -1.966 5.867 -5.495 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 5 . 847 . 1 1 6 . HG13 H -0.347 6.276 -6.063 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 5 . 848 . 1 1 6 . N N -0.568 6.510 -3.214 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 5 . 849 . 1 1 6 . O O -1.391 9.937 -3.258 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 5 . 850 . 1 1 7 GLY C C 0.513 10.743 -1.353 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 5 . 851 . 1 1 7 GLY CA C -0.429 9.758 -0.690 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 5 . 852 . 1 1 7 GLY H H -0.619 7.715 -1.215 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 5 . 853 . 1 1 7 GLY HA2 H -1.344 10.269 -0.432 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 5 . 854 . 1 1 7 GLY HA3 H 0.033 9.390 0.215 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 5 . 855 . 1 1 7 GLY N N -0.745 8.630 -1.546 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 5 . 856 . 1 1 7 GLY O O 0.416 11.951 -1.134 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 5 . 857 . 1 1 8 LEU C C 1.738 11.799 -4.031 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 5 . 858 . 1 1 8 LEU CA C 2.395 11.069 -2.863 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 5 . 859 . 1 1 8 LEU CB C 3.567 10.225 -3.368 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 5 . 860 . 1 1 8 LEU CD1 C 5.674 8.983 -2.823 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 5 . 861 . 1 1 8 LEU CD2 C 4.432 10.186 -1.016 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 5 . 862 . 1 1 8 LEU CG C 4.304 9.401 -2.312 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 5 . 863 . 1 1 8 LEU H H 1.458 9.257 -2.301 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 5 . 864 . 1 1 8 LEU HA H 2.765 11.800 -2.160 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 5 . 865 . 1 1 8 LEU HB2 H 3.186 9.544 -4.113 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 5 . 866 . 1 1 8 LEU HB3 H 4.282 10.894 -3.826 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 5 . 867 . 1 1 8 LEU HD11 H 6.252 8.572 -2.009 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 5 . 868 . 1 1 8 LEU HD12 H 6.185 9.844 -3.228 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 5 . 869 . 1 1 8 LEU HD13 H 5.558 8.237 -3.595 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 5 . 870 . 1 1 8 LEU HD21 H 3.510 10.112 -0.458 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 5 . 871 . 1 1 8 LEU HD22 H 4.634 11.223 -1.242 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 5 . 872 . 1 1 8 LEU HD23 H 5.242 9.781 -0.428 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 5 . 873 . 1 1 8 LEU HG H 3.737 8.503 -2.106 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 5 . 874 . 1 1 8 LEU N N 1.429 10.227 -2.166 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 5 . 875 . 1 1 8 LEU O O 2.191 12.866 -4.442 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 5 . 876 . 1 1 9 ABA C C -1.012 12.877 -5.155 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 5 . 877 . 1 1 9 ABA CA C -0.054 11.811 -5.677 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 5 . 878 . 1 1 9 ABA H H 0.354 10.365 -4.187 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 5 . 879 . 1 1 9 ABA N N 0.667 11.216 -4.558 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 5 . 880 . 1 1 9 ABA O O -1.503 13.711 -5.915 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 5 . 881 . 1 1 10 ABA C C -1.651 15.218 -3.468 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 5 . 882 . 1 1 10 ABA CA C -2.173 13.806 -3.229 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 5 . 883 . 1 1 10 ABA H H -0.852 12.154 -3.298 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 5 . 884 . 1 1 10 ABA N N -1.274 12.843 -3.852 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 5 . 885 . 1 1 10 ABA O O -2.353 16.087 -3.985 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 5 . 886 . 1 1 11 HYP C C 0.208 17.257 -4.687 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 5 . 887 . 1 1 11 HYP CA C 0.257 16.762 -3.246 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 5 . 888 . 1 1 11 HYP CB C 1.703 16.499 -2.820 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 5 . 889 . 1 1 11 HYP CD C 0.507 14.467 -2.459 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 5 . 890 . 1 1 11 HYP CG C 1.629 15.289 -1.954 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 5 . 891 . 1 1 11 HYP HA H -0.182 17.505 -2.596 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 5 . 892 . 1 1 11 HYP HB2 H 2.313 16.323 -3.695 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 5 . 893 . 1 1 11 HYP HB3 H 2.083 17.350 -2.276 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 5 . 894 . 1 1 11 HYP HD1 H 1.424 15.042 -0.007 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 5 . 895 . 1 1 11 HYP HD22 H 0.724 13.658 -3.141 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 5 . 896 . 1 1 11 HYP HD23 H 0.081 14.086 -1.543 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 5 . 897 . 1 1 11 HYP HG H 2.321 14.545 -2.322 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 5 . 898 . 1 1 11 HYP N N -0.388 15.456 -3.083 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 5 . 899 . 1 1 11 HYP O O 0.397 18.444 -4.951 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 5 . 900 . 1 1 11 HYP OD1 O 1.930 15.611 -0.591 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 5 . 901 . 1 1 12 GLN C C -1.536 17.106 -7.414 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 5 . 902 . 1 1 12 GLN CA C -0.122 16.685 -7.029 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 5 . 903 . 1 1 12 GLN CB C 0.321 15.499 -7.889 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 5 . 904 . 1 1 12 GLN CD C 2.527 16.568 -8.503 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 5 . 905 . 1 1 12 GLN CG C 1.830 15.333 -7.964 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 5 . 906 . 1 1 12 GLN H H -0.190 15.410 -5.341 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 5 . 907 . 1 1 12 GLN HA H 0.547 17.514 -7.203 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 5 . 908 . 1 1 12 GLN HB2 H -0.099 14.594 -7.476 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 5 . 909 . 1 1 12 GLN HB3 H -0.055 15.637 -8.892 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 5 . 910 . 1 1 12 GLN HE21 H 3.217 16.999 -6.689 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 5 . 911 . 1 1 12 GLN HE22 H 3.665 18.099 -7.944 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 5 . 912 . 1 1 12 GLN HG2 H 2.208 15.130 -6.973 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 5 . 913 . 1 1 12 GLN HG3 H 2.055 14.499 -8.612 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 5 . 914 . 1 1 12 GLN N N -0.048 16.340 -5.614 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 5 . 915 . 1 1 12 GLN NE2 N 3.204 17.296 -7.624 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 5 . 916 . 1 1 12 GLN O O -1.749 17.721 -8.458 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 5 . 917 . 1 1 12 GLN OE1 O 2.457 16.863 -9.696 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 5 . 918 . 1 1 13 . C C -4.042 18.630 -6.876 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 5 . 919 . 1 1 13 . CA C -3.895 17.114 -6.814 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 5 . 920 . 1 1 13 . CB1 C -4.337 16.506 -8.141 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 5 . 921 . 1 1 13 . CB2 C -4.765 16.564 -5.689 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 5 . 922 . 1 1 13 . CG1 C -3.617 15.222 -8.493 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 5 . 923 . 1 1 13 . H H -2.269 16.280 -5.747 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 5 . 924 . 1 1 13 . HB11 H -4.164 17.217 -8.935 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 5 . 925 . 1 1 13 . HB12 H -5.396 16.298 -8.103 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 5 . 926 . 1 1 13 . HB21 H -4.227 15.789 -5.164 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 5 . 927 . 1 1 13 . HB22 H -5.674 16.154 -6.103 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 5 . 928 . 1 1 13 . HB23 H -5.010 17.361 -5.001 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 5 . 929 . 1 1 13 . HG11 H -4.204 14.665 -9.208 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 5 . 930 . 1 1 13 . HG12 H -3.480 14.630 -7.601 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 5 . 931 . 1 1 13 . HG13 H -2.654 15.456 -8.922 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 5 . 932 . 1 1 13 . N N -2.501 16.770 -6.563 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 5 . 933 . 1 1 13 . O O -4.609 19.186 -7.817 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 5 . 934 . 1 1 14 HYP C C -2.474 21.454 -6.570 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 5 . 935 . 1 1 14 HYP CA C -3.579 20.780 -5.765 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 5 . 936 . 1 1 14 HYP CB C -3.396 21.056 -4.270 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 5 . 937 . 1 1 14 HYP CD C -2.829 18.721 -4.694 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 5 . 938 . 1 1 14 HYP CG C -2.681 19.858 -3.749 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 5 . 939 . 1 1 14 HYP HA H -4.539 21.157 -6.087 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 5 . 940 . 1 1 14 HYP HB2 H -2.812 21.956 -4.137 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 5 . 941 . 1 1 14 HYP HB3 H -4.361 21.175 -3.801 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 5 . 942 . 1 1 14 HYP HD1 H -2.297 19.731 -1.817 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 5 . 943 . 1 1 14 HYP HD22 H -1.876 18.306 -4.986 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 5 . 944 . 1 1 14 HYP HD23 H -3.444 17.966 -4.227 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 5 . 945 . 1 1 14 HYP HG H -1.615 20.022 -3.817 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 5 . 946 . 1 1 14 HYP N N -3.519 19.318 -5.850 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 5 . 947 . 1 1 14 HYP O O -2.427 22.679 -6.674 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 5 . 948 . 1 1 14 HYP OD1 O -3.052 19.587 -2.392 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 5 . 949 . 1 1 15 ABA C C -1.029 22.048 -9.051 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 5 . 950 . 1 1 15 ABA CA C -0.480 21.163 -7.936 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 5 . 951 . 1 1 15 ABA H H -1.676 19.677 -7.020 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 5 . 952 . 1 1 15 ABA N N -1.586 20.645 -7.139 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 5 . 953 . 1 1 15 ABA O O -0.675 23.221 -9.177 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 5 . 954 . 1 1 16 PRO C C -3.591 23.187 -10.536 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 5 . 955 . 1 1 16 PRO CA C -2.530 22.195 -10.999 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 5 . 956 . 1 1 16 PRO CB C -3.169 21.078 -11.829 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 5 . 957 . 1 1 16 PRO CD C -2.381 20.082 -9.789 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 5 . 958 . 1 1 16 PRO CG C -3.424 19.981 -10.855 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 5 . 959 . 1 1 16 PRO HA H -1.791 22.711 -11.594 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 5 . 960 . 1 1 16 PRO HB2 H -4.087 21.437 -12.273 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 5 . 961 . 1 1 16 PRO HB3 H -2.486 20.766 -12.605 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 5 . 962 . 1 1 16 PRO HD2 H -2.828 19.887 -8.826 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 5 . 963 . 1 1 16 PRO HD3 H -1.572 19.392 -9.979 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 5 . 964 . 1 1 16 PRO HG2 H -4.404 20.098 -10.418 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 5 . 965 . 1 1 16 PRO HG3 H -3.345 19.025 -11.351 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 5 . 966 . 1 1 16 PRO N N -1.914 21.476 -9.880 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 5 . 967 . 1 1 16 PRO O O -4.075 24.005 -11.319 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 5 . 968 . 1 1 17 PHL C C -4.372 24.809 -7.532 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 5 . 969 . 1 1 17 PHL CA C -4.952 24.004 -8.691 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 5 . 970 . 1 1 17 PHL CB C -6.165 23.203 -8.213 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 5 . 971 . 1 1 17 PHL CD1 C -6.749 22.095 -10.388 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 5 . 972 . 1 1 17 PHL CD2 C -8.439 23.348 -9.265 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 5 . 973 . 1 1 17 PHL CE1 C -7.642 21.792 -11.399 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 5 . 974 . 1 1 17 PHL CE2 C -9.335 23.048 -10.273 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 5 . 975 . 1 1 17 PHL CG C -7.137 22.875 -9.311 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 5 . 976 . 1 1 17 PHL CZ C -8.936 22.270 -11.342 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 5 . 977 . 1 1 17 PHL H H -3.526 22.439 -8.683 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 5 . 978 . 1 1 17 PHL HA H -5.265 24.686 -9.467 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 5 . 979 . 1 1 17 PHL HB2 H -5.827 22.273 -7.782 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 5 . 980 . 1 1 17 PHL HB3 H -6.691 23.773 -7.462 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 5 . 981 . 1 1 17 PHL HC1 H -4.964 25.700 -7.386 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 5 . 982 . 1 1 17 PHL HC2 H -4.392 24.207 -6.635 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 5 . 983 . 1 1 17 PHL HD1 H -5.736 21.721 -10.434 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 5 . 984 . 1 1 17 PHL HD2 H -8.753 23.958 -8.430 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 5 . 985 . 1 1 17 PHL HE1 H -7.326 21.183 -12.233 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 5 . 986 . 1 1 17 PHL HE2 H -10.347 23.423 -10.226 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 5 . 987 . 1 1 17 PHL HO H -2.491 25.083 -7.005 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 5 . 988 . 1 1 17 PHL HZ H -9.635 22.033 -12.130 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 5 . 989 . 1 1 17 PHL N N -3.948 23.112 -9.258 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 5 . 990 . 1 1 17 PHL O O -3.018 25.194 -7.799 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 6 . 991 . 1 1 1 ACE C C 1.496 0.934 -2.248 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 6 . 992 . 1 1 1 ACE CH3 C 2.095 -0.022 -1.236 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 6 . 993 . 1 1 1 ACE H1 H 2.385 -0.936 -1.732 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 6 . 994 . 1 1 1 ACE H2 H 1.364 -0.243 -0.472 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 6 . 995 . 1 1 1 ACE H3 H 2.964 0.432 -0.782 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 6 . 996 . 1 1 1 ACE O O 1.778 2.132 -2.224 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 6 . 997 . 1 1 2 PHE C C -0.911 2.247 -3.542 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 6 . 998 . 1 1 2 PHE CA C 0.028 1.220 -4.169 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 6 . 999 . 1 1 2 PHE CB C -0.747 0.332 -5.145 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 6 . 1000 . 1 1 2 PHE CD1 C -0.144 1.137 -7.444 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 6 . 1001 . 1 1 2 PHE CD2 C -2.354 1.544 -6.644 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 6 . 1002 . 1 1 2 PHE CE1 C -0.456 1.769 -8.633 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 6 . 1003 . 1 1 2 PHE CE2 C -2.671 2.176 -7.832 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 6 . 1004 . 1 1 2 PHE CG C -1.088 1.018 -6.437 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 6 . 1005 . 1 1 2 PHE CZ C -1.721 2.288 -8.828 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 6 . 1006 . 1 1 2 PHE H H 0.481 -0.557 -3.110 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 6 . 1007 . 1 1 2 PHE HA H 0.804 1.741 -4.707 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 6 . 1008 . 1 1 2 PHE HB2 H -0.152 -0.538 -5.379 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 6 . 1009 . 1 1 2 PHE HB3 H -1.669 0.019 -4.680 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 6 . 1010 . 1 1 2 PHE HD1 H 0.845 0.731 -7.294 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 6 . 1011 . 1 1 2 PHE HD2 H -3.098 1.456 -5.865 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 6 . 1012 . 1 1 2 PHE HE1 H 0.289 1.855 -9.411 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 6 . 1013 . 1 1 2 PHE HE2 H -3.661 2.580 -7.980 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 6 . 1014 . 1 1 2 PHE HZ H -1.967 2.782 -9.756 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 6 . 1015 . 1 1 2 PHE N N 0.667 0.405 -3.142 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 6 . 1016 . 1 1 2 PHE O O -0.787 3.447 -3.786 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 6 . 1017 . 1 1 3 ABA C C -2.065 3.736 -1.319 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 6 . 1018 . 1 1 3 ABA CA C -2.811 2.641 -2.074 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 6 . 1019 . 1 1 3 ABA H H -1.899 0.799 -2.580 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 6 . 1020 . 1 1 3 ABA N N -1.850 1.766 -2.735 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 6 . 1021 . 1 1 3 ABA O O -2.383 4.918 -1.447 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 6 . 1022 . 1 1 4 ABA C C 0.440 5.237 -0.703 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 6 . 1023 . 1 1 4 ABA CA C -0.281 4.283 0.243 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 6 . 1024 . 1 1 4 ABA H H -0.867 2.379 -0.472 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 6 . 1025 . 1 1 4 ABA N N -1.072 3.335 -0.532 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 6 . 1026 . 1 1 4 ABA O O 0.577 6.426 -0.415 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 6 . 1027 . 1 1 5 ABA C C 0.739 6.702 -3.222 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 6 . 1028 . 1 1 5 ABA CA C 1.605 5.513 -2.821 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 6 . 1029 . 1 1 5 ABA H H 0.758 3.754 -2.005 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 6 . 1030 . 1 1 5 ABA N N 0.898 4.708 -1.832 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 6 . 1031 . 1 1 5 ABA O O 1.250 7.774 -3.544 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 6 . 1032 . 1 1 6 . C C -1.199 8.816 -2.758 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 6 . 1033 . 1 1 6 . CA C -1.513 7.560 -3.563 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 6 . 1034 . 1 1 6 . CB1 C -1.385 7.865 -5.052 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 6 . 1035 . 1 1 6 . CB2 C -2.936 7.102 -3.259 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 6 . 1036 . 1 1 6 . CG1 C -1.396 6.633 -5.930 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 6 . 1037 . 1 1 6 . H H -0.922 5.626 -2.937 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 6 . 1038 . 1 1 6 . HB11 H -0.461 8.396 -5.229 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 6 . 1039 . 1 1 6 . HB12 H -2.201 8.503 -5.357 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 6 . 1040 . 1 1 6 . HB21 H -3.636 7.719 -3.802 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 6 . 1041 . 1 1 6 . HB22 H -3.123 7.192 -2.199 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 6 . 1042 . 1 1 6 . HB23 H -3.055 6.072 -3.560 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 6 . 1043 . 1 1 6 . HG11 H -1.616 5.763 -5.327 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 6 . 1044 . 1 1 6 . HG12 H -0.429 6.513 -6.395 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 6 . 1045 . 1 1 6 . HG13 H -2.152 6.741 -6.693 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 6 . 1046 . 1 1 6 . N N -0.575 6.504 -3.202 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 6 . 1047 . 1 1 6 . O O -1.383 9.934 -3.236 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 6 . 1048 . 1 1 7 GLY C C 0.546 10.731 -1.353 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 6 . 1049 . 1 1 7 GLY CA C -0.392 9.750 -0.679 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 6 . 1050 . 1 1 7 GLY H H -0.597 7.709 -1.202 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 6 . 1051 . 1 1 7 GLY HA2 H -1.303 10.265 -0.411 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 6 . 1052 . 1 1 7 GLY HA3 H 0.078 9.380 0.220 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 6 . 1053 . 1 1 7 GLY N N -0.724 8.623 -1.531 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 6 . 1054 . 1 1 7 GLY O O 0.457 11.939 -1.133 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 6 . 1055 . 1 1 8 LEU C C 1.745 11.782 -4.044 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 6 . 1056 . 1 1 8 LEU CA C 2.412 11.050 -2.884 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 6 . 1057 . 1 1 8 LEU CB C 3.574 10.201 -3.403 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 6 . 1058 . 1 1 8 LEU CD1 C 5.682 8.949 -2.882 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 6 . 1059 . 1 1 8 LEU CD2 C 4.466 10.157 -1.060 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 6 . 1060 . 1 1 8 LEU CG C 4.319 9.372 -2.356 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 6 . 1061 . 1 1 8 LEU H H 1.473 9.241 -2.312 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 6 . 1062 . 1 1 8 LEU HA H 2.793 11.779 -2.185 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 6 . 1063 . 1 1 8 LEU HB2 H 3.182 9.522 -4.144 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 6 . 1064 . 1 1 8 LEU HB3 H 4.287 10.867 -3.868 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 6 . 1065 . 1 1 8 LEU HD11 H 6.266 8.534 -2.075 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 6 . 1066 . 1 1 8 LEU HD12 H 6.193 9.809 -3.291 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 6 . 1067 . 1 1 8 LEU HD13 H 5.555 8.205 -3.655 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 6 . 1068 . 1 1 8 LEU HD21 H 3.537 10.117 -0.509 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 6 . 1069 . 1 1 8 LEU HD22 H 4.705 11.185 -1.287 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 6 . 1070 . 1 1 8 LEU HD23 H 5.256 9.725 -0.465 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 6 . 1071 . 1 1 8 LEU HG H 3.751 8.477 -2.144 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 6 . 1072 . 1 1 8 LEU N N 1.451 10.211 -2.176 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 6 . 1073 . 1 1 8 LEU O O 2.198 12.848 -4.461 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 6 . 1074 . 1 1 9 ABA C C -1.014 12.872 -5.137 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 6 . 1075 . 1 1 9 ABA CA C -0.066 11.803 -5.670 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 6 . 1076 . 1 1 9 ABA H H 0.353 10.354 -4.185 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 6 . 1077 . 1 1 9 ABA N N 0.665 11.204 -4.560 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 6 . 1078 . 1 1 9 ABA O O -1.510 13.707 -5.892 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 6 . 1079 . 1 1 10 ABA C C -1.624 15.216 -3.442 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 6 . 1080 . 1 1 10 ABA CA C -2.149 13.805 -3.197 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 6 . 1081 . 1 1 10 ABA H H -0.835 12.148 -3.282 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 6 . 1082 . 1 1 10 ABA N N -1.261 12.839 -3.831 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 6 . 1083 . 1 1 10 ABA O O -2.329 16.087 -3.951 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 6 . 1084 . 1 1 11 HYP C C 0.228 17.247 -4.682 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 6 . 1085 . 1 1 11 HYP CA C 0.292 16.752 -3.242 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 6 . 1086 . 1 1 11 HYP CB C 1.743 16.483 -2.833 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 6 . 1087 . 1 1 11 HYP CD C 0.543 14.455 -2.459 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 6 . 1088 . 1 1 11 HYP CG C 1.674 15.273 -1.966 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 6 . 1089 . 1 1 11 HYP HA H -0.136 17.496 -2.587 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 6 . 1090 . 1 1 11 HYP HB2 H 2.341 16.304 -3.715 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 6 . 1091 . 1 1 11 HYP HB3 H 2.132 17.333 -2.293 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 6 . 1092 . 1 1 11 HYP HD1 H 1.590 16.466 -0.398 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 6 . 1093 . 1 1 11 HYP HD22 H 0.748 13.646 -3.143 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 6 . 1094 . 1 1 11 HYP HD23 H 0.126 14.076 -1.537 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 6 . 1095 . 1 1 11 HYP HG H 2.380 14.538 -2.324 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 6 . 1096 . 1 1 11 HYP N N -0.356 15.448 -3.072 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 6 . 1097 . 1 1 11 HYP O O 0.420 18.433 -4.949 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 6 . 1098 . 1 1 11 HYP OD1 O 1.953 15.601 -0.600 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 6 . 1099 . 1 1 12 GLN C C -1.547 17.103 -7.389 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 6 . 1100 . 1 1 12 GLN CA C -0.130 16.676 -7.021 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 6 . 1101 . 1 1 12 GLN CB C 0.298 15.490 -7.885 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 6 . 1102 . 1 1 12 GLN CD C 2.503 16.558 -8.502 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 6 . 1103 . 1 1 12 GLN CG C 1.806 15.318 -7.978 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 6 . 1104 . 1 1 12 GLN H H -0.184 15.402 -5.332 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 6 . 1105 . 1 1 12 GLN HA H 0.540 17.503 -7.203 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 6 . 1106 . 1 1 12 GLN HB2 H -0.121 14.586 -7.468 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 6 . 1107 . 1 1 12 GLN HB3 H -0.089 15.629 -8.884 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 6 . 1108 . 1 1 12 GLN HE21 H 3.000 17.090 -6.652 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 6 . 1109 . 1 1 12 GLN HE22 H 3.523 18.156 -7.906 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 6 . 1110 . 1 1 12 GLN HG2 H 2.192 15.096 -6.995 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 6 . 1111 . 1 1 12 GLN HG3 H 2.021 14.494 -8.643 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 6 . 1112 . 1 1 12 GLN N N -0.042 16.331 -5.607 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 6 . 1113 . 1 1 12 GLN NE2 N 3.065 17.349 -7.596 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 6 . 1114 . 1 1 12 GLN O O -1.769 17.720 -8.431 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 6 . 1115 . 1 1 12 GLN OE1 O 2.536 16.802 -9.709 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 6 . 1116 . 1 1 13 . C C -4.041 18.638 -6.822 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 6 . 1117 . 1 1 13 . CA C -3.899 17.120 -6.762 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 6 . 1118 . 1 1 13 . CB1 C -4.359 16.514 -8.084 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 6 . 1119 . 1 1 13 . CB2 C -4.758 16.574 -5.627 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 6 . 1120 . 1 1 13 . CG1 C -3.648 15.228 -8.445 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 6 . 1121 . 1 1 13 . H H -2.264 16.280 -5.714 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 6 . 1122 . 1 1 13 . HB11 H -4.192 17.226 -8.880 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 6 . 1123 . 1 1 13 . HB12 H -5.418 16.311 -8.034 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 6 . 1124 . 1 1 13 . HB21 H -5.673 16.167 -6.031 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 6 . 1125 . 1 1 13 . HB22 H -4.992 17.371 -4.937 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 6 . 1126 . 1 1 13 . HB23 H -4.217 15.796 -5.108 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 6 . 1127 . 1 1 13 . HG11 H -2.689 15.458 -8.885 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 6 . 1128 . 1 1 13 . HG12 H -4.245 14.673 -9.153 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 6 . 1129 . 1 1 13 . HG13 H -3.502 14.636 -7.554 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 6 . 1130 . 1 1 13 . N N -2.503 16.771 -6.527 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 6 . 1131 . 1 1 13 . O O -4.616 19.195 -7.757 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 6 . 1132 . 1 1 14 HYP C C -2.458 21.455 -6.533 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 6 . 1133 . 1 1 14 HYP CA C -3.557 20.785 -5.716 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 6 . 1134 . 1 1 14 HYP CB C -3.356 21.060 -4.223 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 6 . 1135 . 1 1 14 HYP CD C -2.803 18.723 -4.654 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 6 . 1136 . 1 1 14 HYP CG C -2.640 19.859 -3.710 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 6 . 1137 . 1 1 14 HYP HA H -4.519 21.166 -6.027 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 6 . 1138 . 1 1 14 HYP HB2 H -2.766 21.957 -4.096 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 6 . 1139 . 1 1 14 HYP HB3 H -4.315 21.182 -3.744 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 6 . 1140 . 1 1 14 HYP HD1 H -2.714 19.767 -1.740 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 6 . 1141 . 1 1 14 HYP HD22 H -1.854 18.305 -4.957 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 6 . 1142 . 1 1 14 HYP HD23 H -3.415 17.971 -4.180 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 6 . 1143 . 1 1 14 HYP HG H -1.596 20.100 -3.569 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 6 . 1144 . 1 1 14 HYP N N -3.504 19.323 -5.802 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 6 . 1145 . 1 1 14 HYP O O -2.407 22.680 -6.637 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 6 . 1146 . 1 1 14 HYP OD1 O -3.212 19.406 -2.477 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 6 . 1147 . 1 1 15 ABA C C -1.039 22.044 -9.031 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 6 . 1148 . 1 1 15 ABA CA C -0.482 21.157 -7.923 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 6 . 1149 . 1 1 15 ABA H H -1.674 19.675 -6.994 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 6 . 1150 . 1 1 15 ABA N N -1.580 20.643 -7.114 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 6 . 1151 . 1 1 15 ABA O O -0.683 23.215 -9.161 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 6 . 1152 . 1 1 16 PRO C C -3.615 23.192 -10.487 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 6 . 1153 . 1 1 16 PRO CA C -2.562 22.196 -10.962 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 6 . 1154 . 1 1 16 PRO CB C -3.213 21.082 -11.786 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 6 . 1155 . 1 1 16 PRO CD C -2.407 20.083 -9.754 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 6 . 1156 . 1 1 16 PRO CG C -3.462 19.985 -10.810 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 6 . 1157 . 1 1 16 PRO HA H -1.828 22.710 -11.565 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 6 . 1158 . 1 1 16 PRO HB2 H -4.135 21.444 -12.220 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 6 . 1159 . 1 1 16 PRO HB3 H -2.539 20.768 -12.569 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 6 . 1160 . 1 1 16 PRO HD2 H -2.845 19.890 -8.786 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 6 . 1161 . 1 1 16 PRO HD3 H -1.603 19.390 -9.952 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 6 . 1162 . 1 1 16 PRO HG2 H -4.437 20.106 -10.363 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 6 . 1163 . 1 1 16 PRO HG3 H -3.391 19.029 -11.307 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 6 . 1164 . 1 1 16 PRO N N -1.936 21.475 -9.851 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 6 . 1165 . 1 1 16 PRO O O -4.107 24.009 -11.266 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 6 . 1166 . 1 1 17 PHL C C -4.440 24.629 -7.327 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 6 . 1167 . 1 1 17 PHL CA C -4.951 24.014 -8.627 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 6 . 1168 . 1 1 17 PHL CB C -6.257 23.260 -8.367 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 6 . 1169 . 1 1 17 PHL CD1 C -7.821 23.920 -10.216 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 6 . 1170 . 1 1 17 PHL CD2 C -6.966 21.694 -10.196 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 6 . 1171 . 1 1 17 PHL CE1 C -8.533 23.640 -11.367 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 6 . 1172 . 1 1 17 PHL CE2 C -7.675 21.409 -11.347 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 6 . 1173 . 1 1 17 PHL CG C -7.030 22.952 -9.618 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 6 . 1174 . 1 1 17 PHL CZ C -8.461 22.382 -11.933 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 6 . 1175 . 1 1 17 PHL H H -3.529 22.446 -8.634 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 6 . 1176 . 1 1 17 PHL HA H -5.137 24.805 -9.337 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 6 . 1177 . 1 1 17 PHL HB2 H -6.033 22.324 -7.878 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 6 . 1178 . 1 1 17 PHL HB3 H -6.887 23.856 -7.725 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 6 . 1179 . 1 1 17 PHL HC1 H -3.371 24.768 -7.396 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 6 . 1180 . 1 1 17 PHL HC2 H -4.922 25.583 -7.171 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 6 . 1181 . 1 1 17 PHL HD1 H -7.878 24.905 -9.773 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 6 . 1182 . 1 1 17 PHL HD2 H -6.353 20.931 -9.739 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 6 . 1183 . 1 1 17 PHL HE1 H -9.146 24.404 -11.822 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 6 . 1184 . 1 1 17 PHL HE2 H -7.618 20.424 -11.787 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 6 . 1185 . 1 1 17 PHL HO H -4.473 24.225 -5.396 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 6 . 1186 . 1 1 17 PHL HZ H -9.016 22.162 -12.832 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 6 . 1187 . 1 1 17 PHL N N -3.956 23.119 -9.205 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 6 . 1188 . 1 1 17 PHL O O -4.723 23.779 -6.209 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 7 . 1189 . 1 1 1 ACE C C 1.468 0.952 -2.249 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 7 . 1190 . 1 1 1 ACE CH3 C 2.052 -0.007 -1.231 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 7 . 1191 . 1 1 1 ACE H1 H 1.298 -0.717 -0.929 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 7 . 1192 . 1 1 1 ACE H2 H 2.392 0.547 -0.367 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 7 . 1193 . 1 1 1 ACE H3 H 2.887 -0.534 -1.670 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 7 . 1194 . 1 1 1 ACE O O 1.750 2.151 -2.217 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 7 . 1195 . 1 1 2 PHE C C -0.919 2.267 -3.576 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 7 . 1196 . 1 1 2 PHE CA C 0.030 1.242 -4.191 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 7 . 1197 . 1 1 2 PHE CB C -0.730 0.357 -5.181 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 7 . 1198 . 1 1 2 PHE CD1 C -0.052 1.610 -7.247 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 7 . 1199 . 1 1 2 PHE CD2 C -2.365 1.135 -6.918 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 7 . 1200 . 1 1 2 PHE CE1 C -0.350 2.247 -8.437 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 7 . 1201 . 1 1 2 PHE CE2 C -2.669 1.770 -8.108 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 7 . 1202 . 1 1 2 PHE CG C -1.056 1.048 -6.475 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 7 . 1203 . 1 1 2 PHE CZ C -1.659 2.326 -8.869 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 7 . 1204 . 1 1 2 PHE H H 0.467 -0.537 -3.130 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 7 . 1205 . 1 1 2 PHE HA H 0.814 1.765 -4.716 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 7 . 1206 . 1 1 2 PHE HB2 H -0.129 -0.510 -5.411 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 7 . 1207 . 1 1 2 PHE HB3 H -1.657 0.039 -4.730 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 7 . 1208 . 1 1 2 PHE HD1 H 0.973 1.548 -6.912 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 7 . 1209 . 1 1 2 PHE HD2 H -3.156 0.700 -6.323 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 7 . 1210 . 1 1 2 PHE HE1 H 0.442 2.680 -9.031 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 7 . 1211 . 1 1 2 PHE HE2 H -3.694 1.830 -8.442 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 7 . 1212 . 1 1 2 PHE HZ H -1.894 2.823 -9.798 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 7 . 1213 . 1 1 2 PHE N N 0.653 0.425 -3.157 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 7 . 1214 . 1 1 2 PHE O O -0.792 3.468 -3.814 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 7 . 1215 . 1 1 3 ABA C C -2.108 3.750 -1.367 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 7 . 1216 . 1 1 3 ABA CA C -2.842 2.656 -2.136 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 7 . 1217 . 1 1 3 ABA H H -1.921 0.817 -2.633 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 7 . 1218 . 1 1 3 ABA N N -1.870 1.783 -2.785 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 7 . 1219 . 1 1 3 ABA O O -2.424 4.932 -1.497 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 7 . 1220 . 1 1 4 ABA C C 0.386 5.250 -0.709 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 7 . 1221 . 1 1 4 ABA CA C -0.348 4.293 0.224 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 7 . 1222 . 1 1 4 ABA H H -0.922 2.391 -0.505 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 7 . 1223 . 1 1 4 ABA N N -1.127 3.347 -0.566 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 7 . 1224 . 1 1 4 ABA O O 0.518 6.438 -0.416 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 7 . 1225 . 1 1 5 ABA C C 0.724 6.722 -3.219 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 7 . 1226 . 1 1 5 ABA CA C 1.585 5.532 -2.808 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 7 . 1227 . 1 1 5 ABA H H 0.726 3.771 -2.009 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 7 . 1228 . 1 1 5 ABA N N 0.863 4.724 -1.832 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 7 . 1229 . 1 1 5 ABA O O 1.239 7.796 -3.529 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 7 . 1230 . 1 1 6 . C C -1.222 8.834 -2.779 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 7 . 1231 . 1 1 6 . CA C -1.523 7.580 -3.592 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 7 . 1232 . 1 1 6 . CB1 C -1.373 7.889 -5.078 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 7 . 1233 . 1 1 6 . CB2 C -2.950 7.122 -3.310 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 7 . 1234 . 1 1 6 . CG1 C -1.370 6.659 -5.959 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 7 . 1235 . 1 1 6 . H H -0.941 5.645 -2.962 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 7 . 1236 . 1 1 6 . HB11 H -0.447 8.422 -5.239 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 7 . 1237 . 1 1 6 . HB12 H -2.185 8.528 -5.393 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 7 . 1238 . 1 1 6 . HB21 H -3.646 7.830 -3.733 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 7 . 1239 . 1 1 6 . HB22 H -3.104 7.059 -2.243 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 7 . 1240 . 1 1 6 . HB23 H -3.110 6.150 -3.754 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 7 . 1241 . 1 1 6 . HG11 H -0.584 5.991 -5.641 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 7 . 1242 . 1 1 6 . HG12 H -1.201 6.952 -6.985 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 7 . 1243 . 1 1 6 . HG13 H -2.323 6.158 -5.880 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 7 . 1244 . 1 1 6 . N N -0.590 6.523 -3.219 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 7 . 1245 . 1 1 6 . O O -1.399 9.954 -3.257 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 7 . 1246 . 1 1 7 GLY C C 0.502 10.745 -1.342 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 7 . 1247 . 1 1 7 GLY CA C -0.447 9.763 -0.685 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 7 . 1248 . 1 1 7 GLY H H -0.644 7.723 -1.217 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 7 . 1249 . 1 1 7 GLY HA2 H -1.362 10.277 -0.429 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 7 . 1250 . 1 1 7 GLY HA3 H 0.009 9.391 0.221 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 7 . 1251 . 1 1 7 GLY N N -0.766 8.638 -1.545 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 7 . 1252 . 1 1 7 GLY O O 0.409 11.953 -1.120 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 7 . 1253 . 1 1 8 LEU C C 1.742 11.804 -4.011 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 7 . 1254 . 1 1 8 LEU CA C 2.391 11.068 -2.843 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 7 . 1255 . 1 1 8 LEU CB C 3.561 10.221 -3.346 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 7 . 1256 . 1 1 8 LEU CD1 C 5.661 8.968 -2.796 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 7 . 1257 . 1 1 8 LEU CD2 C 4.418 10.173 -0.990 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 7 . 1258 . 1 1 8 LEU CG C 4.291 9.391 -2.289 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 7 . 1259 . 1 1 8 LEU H H 1.443 9.259 -2.290 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 7 . 1260 . 1 1 8 LEU HA H 2.761 11.796 -2.136 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 7 . 1261 . 1 1 8 LEU HB2 H 3.180 9.543 -4.094 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 7 . 1262 . 1 1 8 LEU HB3 H 4.280 10.888 -3.799 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 7 . 1263 . 1 1 8 LEU HD11 H 6.173 9.824 -3.207 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 7 . 1264 . 1 1 8 LEU HD12 H 5.545 8.215 -3.562 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 7 . 1265 . 1 1 8 LEU HD13 H 6.237 8.561 -1.978 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 7 . 1266 . 1 1 8 LEU HD21 H 4.582 11.217 -1.214 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 7 . 1267 . 1 1 8 LEU HD22 H 5.254 9.792 -0.421 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 7 . 1268 . 1 1 8 LEU HD23 H 3.511 10.066 -0.415 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 7 . 1269 . 1 1 8 LEU HG H 3.719 8.495 -2.086 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 7 . 1270 . 1 1 8 LEU N N 1.418 10.228 -2.152 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 7 . 1271 . 1 1 8 LEU O O 2.201 12.871 -4.418 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 7 . 1272 . 1 1 9 ABA C C -1.000 12.897 -5.144 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 7 . 1273 . 1 1 9 ABA CA C -0.044 11.829 -5.665 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 7 . 1274 . 1 1 9 ABA H H 0.352 10.377 -4.177 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 7 . 1275 . 1 1 9 ABA N N 0.670 11.227 -4.545 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 7 . 1276 . 1 1 9 ABA O O -1.484 13.734 -5.904 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 7 . 1277 . 1 1 10 ABA C C -1.636 15.236 -3.452 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 7 . 1278 . 1 1 10 ABA CA C -2.165 13.825 -3.219 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 7 . 1279 . 1 1 10 ABA H H -0.850 12.168 -3.288 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 7 . 1280 . 1 1 10 ABA N N -1.267 12.860 -3.842 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 7 . 1281 . 1 1 10 ABA O O -2.333 16.109 -3.970 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 7 . 1282 . 1 1 11 HYP C C 0.236 17.270 -4.659 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 7 . 1283 . 1 1 11 HYP CA C 0.277 16.771 -3.218 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 7 . 1284 . 1 1 11 HYP CB C 1.721 16.501 -2.787 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 7 . 1285 . 1 1 11 HYP CD C 0.515 14.473 -2.437 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 7 . 1286 . 1 1 11 HYP CG C 1.638 15.289 -1.925 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 7 . 1287 . 1 1 11 HYP HA H -0.161 17.514 -2.568 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 7 . 1288 . 1 1 11 HYP HB2 H 2.333 16.325 -3.661 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 7 . 1289 . 1 1 11 HYP HB3 H 2.102 17.350 -2.239 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 7 . 1290 . 1 1 11 HYP HD1 H 1.197 16.011 -0.143 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 7 . 1291 . 1 1 11 HYP HD22 H 0.731 13.666 -3.121 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 7 . 1292 . 1 1 11 HYP HD23 H 0.084 14.091 -1.524 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 7 . 1293 . 1 1 11 HYP HG H 2.316 14.537 -2.303 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 7 . 1294 . 1 1 11 HYP N N -0.374 15.467 -3.062 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 7 . 1295 . 1 1 11 HYP O O 0.431 18.457 -4.919 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 7 . 1296 . 1 1 11 HYP OD1 O 1.957 15.602 -0.564 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 7 . 1297 . 1 1 12 GLN C C -1.498 17.134 -7.393 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 7 . 1298 . 1 1 12 GLN CA C -0.087 16.706 -7.004 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 7 . 1299 . 1 1 12 GLN CB C 0.355 15.521 -7.864 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 7 . 1300 . 1 1 12 GLN CD C 2.513 16.294 -8.927 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 7 . 1301 . 1 1 12 GLN CG C 1.864 15.349 -7.935 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 7 . 1302 . 1 1 12 GLN H H -0.167 15.427 -5.319 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 7 . 1303 . 1 1 12 GLN HA H 0.586 17.533 -7.173 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 7 . 1304 . 1 1 12 GLN HB2 H -0.070 14.617 -7.456 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 7 . 1305 . 1 1 12 GLN HB3 H -0.016 15.663 -8.869 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 7 . 1306 . 1 1 12 GLN HE21 H 2.750 17.664 -7.505 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 7 . 1307 . 1 1 12 GLN HE22 H 3.325 18.102 -9.074 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 7 . 1308 . 1 1 12 GLN HG2 H 2.281 15.538 -6.956 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 7 . 1309 . 1 1 12 GLN HG3 H 2.084 14.334 -8.229 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 7 . 1310 . 1 1 12 GLN N N -0.020 16.357 -5.590 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 7 . 1311 . 1 1 12 GLN NE2 N 2.902 17.473 -8.455 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 7 . 1312 . 1 1 12 GLN O O -1.704 17.753 -8.436 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 7 . 1313 . 1 1 12 GLN OE1 O 2.665 15.968 -10.105 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 7 . 1314 . 1 1 13 . C C -3.999 18.667 -6.861 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 7 . 1315 . 1 1 13 . CA C -3.859 17.150 -6.803 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 7 . 1316 . 1 1 13 . CB1 C -4.298 16.547 -8.133 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 7 . 1317 . 1 1 13 . CB2 C -4.735 16.600 -5.682 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 7 . 1318 . 1 1 13 . CG1 C -3.582 15.262 -8.486 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 7 . 1319 . 1 1 13 . H H -2.240 16.307 -5.731 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 7 . 1320 . 1 1 13 . HB11 H -4.119 17.261 -8.924 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 7 . 1321 . 1 1 13 . HB12 H -5.358 16.344 -8.100 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 7 . 1322 . 1 1 13 . HB21 H -5.644 16.195 -6.102 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 7 . 1323 . 1 1 13 . HB22 H -4.980 17.396 -4.994 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 7 . 1324 . 1 1 13 . HB23 H -4.202 15.821 -5.157 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 7 . 1325 . 1 1 13 . HG11 H -2.616 15.493 -8.911 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 7 . 1326 . 1 1 13 . HG12 H -4.168 14.708 -9.204 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 7 . 1327 . 1 1 13 . HG13 H -3.450 14.667 -7.594 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 7 . 1328 . 1 1 13 . N N -2.467 16.800 -6.547 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 7 . 1329 . 1 1 13 . O O -4.560 19.227 -7.803 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 7 . 1330 . 1 1 14 HYP C C -2.421 21.483 -6.541 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 7 . 1331 . 1 1 14 HYP CA C -3.533 20.812 -5.742 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 7 . 1332 . 1 1 14 HYP CB C -3.355 21.083 -4.246 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 7 . 1333 . 1 1 14 HYP CD C -2.795 18.747 -4.674 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 7 . 1334 . 1 1 14 HYP CG C -2.646 19.880 -3.724 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 7 . 1335 . 1 1 14 HYP HA H -4.489 21.194 -6.067 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 7 . 1336 . 1 1 14 HYP HB2 H -2.767 21.980 -4.107 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 7 . 1337 . 1 1 14 HYP HB3 H -4.321 21.204 -3.780 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 7 . 1338 . 1 1 14 HYP HD1 H -2.359 19.013 -1.975 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 7 . 1339 . 1 1 14 HYP HD22 H -1.842 18.329 -4.963 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 7 . 1340 . 1 1 14 HYP HD23 H -3.415 17.993 -4.211 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 7 . 1341 . 1 1 14 HYP HG H -1.581 20.022 -3.828 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 7 . 1342 . 1 1 14 HYP N N -3.478 19.350 -5.831 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 7 . 1343 . 1 1 14 HYP O O -2.368 22.709 -6.640 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 7 . 1344 . 1 1 14 HYP OD1 O -2.981 19.640 -2.352 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 7 . 1345 . 1 1 15 ABA C C -0.964 22.078 -9.015 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 7 . 1346 . 1 1 15 ABA CA C -0.424 21.189 -7.900 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 7 . 1347 . 1 1 15 ABA H H -1.630 19.704 -6.994 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 7 . 1348 . 1 1 15 ABA N N -1.535 20.672 -7.109 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 7 . 1349 . 1 1 15 ABA O O -0.605 23.250 -9.136 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 7 . 1350 . 1 1 16 PRO C C -3.516 23.231 -10.508 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 7 . 1351 . 1 1 16 PRO CA C -2.457 22.236 -10.969 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 7 . 1352 . 1 1 16 PRO CB C -3.095 21.124 -11.805 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 7 . 1353 . 1 1 16 PRO CD C -2.321 20.119 -9.764 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 7 . 1354 . 1 1 16 PRO CG C -3.360 20.024 -10.835 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 7 . 1355 . 1 1 16 PRO HA H -1.713 22.751 -11.559 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 7 . 1356 . 1 1 16 PRO HB2 H -4.011 21.486 -12.252 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 7 . 1357 . 1 1 16 PRO HB3 H -2.410 20.811 -12.579 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 7 . 1358 . 1 1 16 PRO HD2 H -2.773 19.924 -8.803 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 7 . 1359 . 1 1 16 PRO HD3 H -1.514 19.426 -9.951 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 7 . 1360 . 1 1 16 PRO HG2 H -4.341 20.144 -10.402 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 7 . 1361 . 1 1 16 PRO HG3 H -3.282 19.069 -11.333 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 7 . 1362 . 1 1 16 PRO N N -1.848 21.511 -9.849 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 7 . 1363 . 1 1 16 PRO O O -3.996 24.050 -11.292 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 7 . 1364 . 1 1 17 PHL C C -4.276 24.921 -7.568 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 7 . 1365 . 1 1 17 PHL CA C -4.880 24.049 -8.666 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 7 . 1366 . 1 1 17 PHL CB C -6.054 23.244 -8.104 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 7 . 1367 . 1 1 17 PHL CD1 C -6.947 21.249 -9.336 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 7 . 1368 . 1 1 17 PHL CD2 C -7.698 23.415 -9.992 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 7 . 1369 . 1 1 17 PHL CE1 C -7.741 20.674 -10.311 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 7 . 1370 . 1 1 17 PHL CE2 C -8.493 22.846 -10.969 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 7 . 1371 . 1 1 17 PHL CG C -6.917 22.623 -9.165 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 7 . 1372 . 1 1 17 PHL CZ C -8.514 21.474 -11.129 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 7 . 1373 . 1 1 17 PHL H H -3.458 22.481 -8.655 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 7 . 1374 . 1 1 17 PHL HA H -5.239 24.687 -9.458 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 7 . 1375 . 1 1 17 PHL HB2 H -5.671 22.449 -7.482 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 7 . 1376 . 1 1 17 PHL HB3 H -6.675 23.895 -7.508 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 7 . 1377 . 1 1 17 PHL HC1 H -4.484 24.477 -6.606 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 7 . 1378 . 1 1 17 PHL HC2 H -3.208 24.988 -7.715 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 7 . 1379 . 1 1 17 PHL HD1 H -6.342 20.621 -8.696 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 7 . 1380 . 1 1 17 PHL HD2 H -7.682 24.488 -9.869 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 7 . 1381 . 1 1 17 PHL HE1 H -7.754 19.601 -10.434 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 7 . 1382 . 1 1 17 PHL HE2 H -9.097 23.474 -11.607 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 7 . 1383 . 1 1 17 PHL HO H -5.784 26.188 -7.683 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 7 . 1384 . 1 1 17 PHL HZ H -9.135 21.028 -11.891 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 7 . 1385 . 1 1 17 PHL N N -3.877 23.155 -9.231 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 7 . 1386 . 1 1 17 PHL O O -4.830 26.242 -7.597 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 8 . 1387 . 1 1 1 ACE C C 1.451 0.877 -2.205 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 8 . 1388 . 1 1 1 ACE CH3 C 2.024 -0.097 -1.194 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 8 . 1389 . 1 1 1 ACE H1 H 3.100 -0.114 -1.280 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 8 . 1390 . 1 1 1 ACE H2 H 1.631 -1.085 -1.383 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 8 . 1391 . 1 1 1 ACE H3 H 1.747 0.215 -0.197 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 8 . 1392 . 1 1 1 ACE O O 1.719 2.077 -2.142 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 8 . 1393 . 1 1 2 PHE C C -0.887 2.223 -3.553 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 8 . 1394 . 1 1 2 PHE CA C 0.053 1.193 -4.172 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 8 . 1395 . 1 1 2 PHE CB C -0.712 0.324 -5.173 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 8 . 1396 . 1 1 2 PHE CD1 C -2.151 1.813 -6.590 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 8 . 1397 . 1 1 2 PHE CD2 C -0.172 0.899 -7.555 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 8 . 1398 . 1 1 2 PHE CE1 C -2.435 2.459 -7.778 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 8 . 1399 . 1 1 2 PHE CE2 C -0.450 1.543 -8.745 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 8 . 1400 . 1 1 2 PHE CG C -1.018 1.026 -6.465 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 8 . 1401 . 1 1 2 PHE CZ C -1.583 2.325 -8.857 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 8 . 1402 . 1 1 2 PHE H H 0.487 -0.604 -3.139 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 8 . 1403 . 1 1 2 PHE HA H 0.845 1.711 -4.690 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 8 . 1404 . 1 1 2 PHE HB2 H -0.123 -0.551 -5.402 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 8 . 1405 . 1 1 2 PHE HB3 H -1.648 0.017 -4.730 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 8 . 1406 . 1 1 2 PHE HD1 H -2.818 1.919 -5.747 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 8 . 1407 . 1 1 2 PHE HD2 H 0.716 0.287 -7.468 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 8 . 1408 . 1 1 2 PHE HE1 H -3.322 3.070 -7.862 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 8 . 1409 . 1 1 2 PHE HE2 H 0.218 1.436 -9.587 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 8 . 1410 . 1 1 2 PHE HZ H -1.803 2.828 -9.786 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 8 . 1411 . 1 1 2 PHE N N 0.662 0.361 -3.141 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 8 . 1412 . 1 1 2 PHE O O -0.752 3.423 -3.789 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 8 . 1413 . 1 1 3 ABA C C -2.062 3.712 -1.342 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 8 . 1414 . 1 1 3 ABA CA C -2.805 2.623 -2.109 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 8 . 1415 . 1 1 3 ABA H H -1.898 0.778 -2.612 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 8 . 1416 . 1 1 3 ABA N N -1.841 1.745 -2.761 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 8 . 1417 . 1 1 3 ABA O O -2.375 4.895 -1.465 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 8 . 1418 . 1 1 4 ABA C C 0.441 5.202 -0.696 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 8 . 1419 . 1 1 4 ABA CA C -0.289 4.244 0.238 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 8 . 1420 . 1 1 4 ABA H H -0.874 2.346 -0.493 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 8 . 1421 . 1 1 4 ABA N N -1.076 3.303 -0.549 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 8 . 1422 . 1 1 4 ABA O O 0.585 6.387 -0.397 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 8 . 1423 . 1 1 5 ABA C C 0.750 6.680 -3.215 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 8 . 1424 . 1 1 5 ABA CA C 1.615 5.492 -2.808 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 8 . 1425 . 1 1 5 ABA H H 0.754 3.730 -2.012 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 8 . 1426 . 1 1 5 ABA N N 0.900 4.682 -1.830 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 8 . 1427 . 1 1 5 ABA O O 1.261 7.754 -3.529 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 8 . 1428 . 1 1 6 . C C -1.198 8.788 -2.763 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 8 . 1429 . 1 1 6 . CA C -1.501 7.533 -3.575 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 8 . 1430 . 1 1 6 . CB1 C -1.360 7.842 -5.061 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 8 . 1431 . 1 1 6 . CB2 C -2.925 7.072 -3.284 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 8 . 1432 . 1 1 6 . CG1 C -1.361 6.612 -5.942 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 8 . 1433 . 1 1 6 . H H -0.911 5.600 -2.947 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 8 . 1434 . 1 1 6 . HB11 H -0.436 8.376 -5.228 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 8 . 1435 . 1 1 6 . HB12 H -2.174 8.480 -5.372 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 8 . 1436 . 1 1 6 . HB21 H -3.086 7.050 -2.217 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 8 . 1437 . 1 1 6 . HB22 H -3.073 6.082 -3.691 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 8 . 1438 . 1 1 6 . HB23 H -3.625 7.756 -3.740 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 8 . 1439 . 1 1 6 . HG11 H -0.360 6.209 -5.999 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 8 . 1440 . 1 1 6 . HG12 H -1.699 6.879 -6.933 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 8 . 1441 . 1 1 6 . HG13 H -2.024 5.870 -5.523 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 8 . 1442 . 1 1 6 . N N -0.564 6.478 -3.206 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 8 . 1443 . 1 1 6 . O O -1.380 9.907 -3.241 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 8 . 1444 . 1 1 7 GLY C C 0.530 10.703 -1.337 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 8 . 1445 . 1 1 7 GLY CA C -0.413 9.719 -0.674 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 8 . 1446 . 1 1 7 GLY H H -0.608 7.678 -1.205 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 8 . 1447 . 1 1 7 GLY HA2 H -1.327 10.231 -0.414 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 8 . 1448 . 1 1 7 GLY HA3 H 0.050 9.348 0.229 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 8 . 1449 . 1 1 7 GLY N N -0.733 8.594 -1.532 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 8 . 1450 . 1 1 7 GLY O O 0.436 11.911 -1.115 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 8 . 1451 . 1 1 8 LEU C C 1.752 11.764 -4.014 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 8 . 1452 . 1 1 8 LEU CA C 2.409 11.030 -2.850 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 8 . 1453 . 1 1 8 LEU CB C 3.578 10.185 -3.360 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 8 . 1454 . 1 1 8 LEU CD1 C 5.684 8.937 -2.822 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 8 . 1455 . 1 1 8 LEU CD2 C 4.448 10.138 -1.009 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 8 . 1456 . 1 1 8 LEU CG C 4.316 9.356 -2.308 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 8 . 1457 . 1 1 8 LEU H H 1.469 9.219 -2.291 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 8 . 1458 . 1 1 8 LEU HA H 2.782 11.759 -2.146 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 8 . 1459 . 1 1 8 LEU HB2 H 3.195 9.507 -4.106 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 8 . 1460 . 1 1 8 LEU HB3 H 4.294 10.854 -3.817 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 8 . 1461 . 1 1 8 LEU HD11 H 6.192 9.795 -3.234 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 8 . 1462 . 1 1 8 LEU HD12 H 5.566 8.186 -3.589 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 8 . 1463 . 1 1 8 LEU HD13 H 6.265 8.530 -2.007 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 8 . 1464 . 1 1 8 LEU HD21 H 3.545 10.026 -0.428 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 8 . 1465 . 1 1 8 LEU HD22 H 4.605 11.183 -1.233 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 8 . 1466 . 1 1 8 LEU HD23 H 5.288 9.760 -0.446 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 8 . 1467 . 1 1 8 LEU HG H 3.748 8.459 -2.103 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 8 . 1468 . 1 1 8 LEU N N 1.443 10.188 -2.153 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 8 . 1469 . 1 1 8 LEU O O 2.206 12.832 -4.424 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 8 . 1470 . 1 1 9 ABA C C -0.999 12.851 -5.130 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 8 . 1471 . 1 1 9 ABA CA C -0.044 11.785 -5.657 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 8 . 1472 . 1 1 9 ABA H H 0.364 10.334 -4.171 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 8 . 1473 . 1 1 9 ABA N N 0.678 11.185 -4.541 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 8 . 1474 . 1 1 9 ABA O O -1.490 13.687 -5.888 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 8 . 1475 . 1 1 10 ABA C C -1.630 15.189 -3.436 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 8 . 1476 . 1 1 10 ABA CA C -2.155 13.777 -3.199 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 8 . 1477 . 1 1 10 ABA H H -0.836 12.123 -3.276 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 8 . 1478 . 1 1 10 ABA N N -1.258 12.814 -3.827 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 8 . 1479 . 1 1 10 ABA O O -2.332 16.060 -3.949 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 8 . 1480 . 1 1 11 HYP C C 0.230 17.227 -4.654 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 8 . 1481 . 1 1 11 HYP CA C 0.281 16.728 -3.214 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 8 . 1482 . 1 1 11 HYP CB C 1.728 16.461 -2.791 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 8 . 1483 . 1 1 11 HYP CD C 0.529 14.431 -2.434 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 8 . 1484 . 1 1 11 HYP CG C 1.653 15.249 -1.929 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 8 . 1485 . 1 1 11 HYP HA H -0.155 17.471 -2.561 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 8 . 1486 . 1 1 11 HYP HB2 H 2.335 16.287 -3.669 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 8 . 1487 . 1 1 11 HYP HB3 H 2.110 17.311 -2.246 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 8 . 1488 . 1 1 11 HYP HD1 H 1.192 15.949 -0.143 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 8 . 1489 . 1 1 11 HYP HD22 H 0.743 13.624 -3.119 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 8 . 1490 . 1 1 11 HYP HD23 H 0.104 14.048 -1.517 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 8 . 1491 . 1 1 11 HYP HG H 2.340 14.504 -2.302 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 8 . 1492 . 1 1 11 HYP N N -0.366 15.423 -3.053 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 8 . 1493 . 1 1 11 HYP O O 0.421 18.414 -4.915 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 8 . 1494 . 1 1 11 HYP OD1 O 1.963 15.567 -0.566 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 8 . 1495 . 1 1 12 GLN C C -1.520 17.087 -7.377 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 8 . 1496 . 1 1 12 GLN CA C -0.106 16.662 -6.997 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 8 . 1497 . 1 1 12 GLN CB C 0.334 15.478 -7.860 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 8 . 1498 . 1 1 12 GLN CD C 2.493 16.311 -8.873 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 8 . 1499 . 1 1 12 GLN CG C 1.842 15.309 -7.939 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 8 . 1500 . 1 1 12 GLN H H -0.173 15.383 -5.312 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 8 . 1501 . 1 1 12 GLN HA H 0.565 17.490 -7.170 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 8 . 1502 . 1 1 12 GLN HB2 H -0.087 14.572 -7.449 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 8 . 1503 . 1 1 12 GLN HB3 H -0.044 15.619 -8.862 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 8 . 1504 . 1 1 12 GLN HE21 H 3.040 17.434 -7.326 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 8 . 1505 . 1 1 12 GLN HE22 H 3.496 18.027 -8.883 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 8 . 1506 . 1 1 12 GLN HG2 H 2.259 15.438 -6.951 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 8 . 1507 . 1 1 12 GLN HG3 H 2.062 14.313 -8.294 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 8 . 1508 . 1 1 12 GLN N N -0.030 16.313 -5.583 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 8 . 1509 . 1 1 12 GLN NE2 N 3.067 17.365 -8.304 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 8 . 1510 . 1 1 12 GLN O O -1.733 17.705 -8.420 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 8 . 1511 . 1 1 12 GLN OE1 O 2.480 16.140 -10.092 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 8 . 1512 . 1 1 13 . C C -4.022 18.614 -6.831 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 8 . 1513 . 1 1 13 . CA C -3.877 17.097 -6.773 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 8 . 1514 . 1 1 13 . CB1 C -4.323 16.493 -8.101 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 8 . 1515 . 1 1 13 . CB2 C -4.746 16.546 -5.647 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 8 . 1516 . 1 1 13 . CG1 C -3.606 15.209 -8.457 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 8 . 1517 . 1 1 13 . H H -2.250 16.258 -5.711 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 8 . 1518 . 1 1 13 . HB11 H -4.151 17.207 -8.893 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 8 . 1519 . 1 1 13 . HB12 H -5.383 16.288 -8.061 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 8 . 1520 . 1 1 13 . HB21 H -4.988 17.341 -4.957 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 8 . 1521 . 1 1 13 . HB22 H -4.208 15.768 -5.125 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 8 . 1522 . 1 1 13 . HB23 H -5.656 16.139 -6.061 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 8 . 1523 . 1 1 13 . HG11 H -3.468 14.615 -7.566 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 8 . 1524 . 1 1 13 . HG12 H -2.644 15.442 -8.888 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 8 . 1525 . 1 1 13 . HG13 H -4.196 14.655 -9.172 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 8 . 1526 . 1 1 13 . N N -2.483 16.750 -6.525 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 8 . 1527 . 1 1 13 . O O -4.590 19.173 -7.769 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 8 . 1528 . 1 1 14 HYP C C -2.447 21.434 -6.520 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 8 . 1529 . 1 1 14 HYP CA C -3.553 20.760 -5.715 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 8 . 1530 . 1 1 14 HYP CB C -3.366 21.032 -4.220 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 8 . 1531 . 1 1 14 HYP CD C -2.804 18.697 -4.651 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 8 . 1532 . 1 1 14 HYP CG C -2.652 19.831 -3.702 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 8 . 1533 . 1 1 14 HYP HA H -4.512 21.140 -6.034 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 8 . 1534 . 1 1 14 HYP HB2 H -2.780 21.930 -4.085 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 8 . 1535 . 1 1 14 HYP HB3 H -4.331 21.151 -3.749 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 8 . 1536 . 1 1 14 HYP HD1 H -3.569 20.119 -1.979 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 8 . 1537 . 1 1 14 HYP HD22 H -1.852 18.281 -4.946 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 8 . 1538 . 1 1 14 HYP HD23 H -3.419 17.942 -4.184 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 8 . 1539 . 1 1 14 HYP HG H -1.612 20.076 -3.546 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 8 . 1540 . 1 1 14 HYP N N -3.496 19.298 -5.804 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 8 . 1541 . 1 1 14 HYP O O -2.398 22.659 -6.620 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 8 . 1542 . 1 1 14 HYP OD1 O -3.241 19.369 -2.480 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 8 . 1543 . 1 1 15 ABA C C -1.006 22.032 -9.003 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 8 . 1544 . 1 1 15 ABA CA C -0.458 21.143 -7.891 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 8 . 1545 . 1 1 15 ABA H H -1.655 19.656 -6.978 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 8 . 1546 . 1 1 15 ABA N N -1.562 20.625 -7.094 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 8 . 1547 . 1 1 15 ABA O O -0.650 23.204 -9.126 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 8 . 1548 . 1 1 16 PRO C C -3.570 23.178 -10.480 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 8 . 1549 . 1 1 16 PRO CA C -2.511 22.186 -10.948 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 8 . 1550 . 1 1 16 PRO CB C -3.151 21.073 -11.781 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 8 . 1551 . 1 1 16 PRO CD C -2.364 20.070 -9.744 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 8 . 1552 . 1 1 16 PRO CG C -3.407 19.973 -10.810 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 8 . 1553 . 1 1 16 PRO HA H -1.772 22.703 -11.542 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 8 . 1554 . 1 1 16 PRO HB2 H -4.070 21.433 -12.222 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 8 . 1555 . 1 1 16 PRO HB3 H -2.469 20.762 -12.558 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 8 . 1556 . 1 1 16 PRO HD2 H -2.810 19.874 -8.780 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 8 . 1557 . 1 1 16 PRO HD3 H -1.556 19.379 -9.935 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 8 . 1558 . 1 1 16 PRO HG2 H -4.387 20.090 -10.372 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 8 . 1559 . 1 1 16 PRO HG3 H -3.329 19.018 -11.309 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 8 . 1560 . 1 1 16 PRO N N -1.894 21.463 -9.832 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 8 . 1561 . 1 1 16 PRO O O -4.056 23.996 -11.261 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 8 . 1562 . 1 1 17 PHL C C -4.429 24.605 -7.325 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 8 . 1563 . 1 1 17 PHL CA C -4.927 23.992 -8.631 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 8 . 1564 . 1 1 17 PHL CB C -6.234 23.234 -8.386 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 8 . 1565 . 1 1 17 PHL CD1 C -6.835 22.179 -10.582 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 8 . 1566 . 1 1 17 PHL CD2 C -8.185 23.974 -9.779 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 8 . 1567 . 1 1 17 PHL CE1 C -7.633 22.078 -11.706 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 8 . 1568 . 1 1 17 PHL CE2 C -8.986 23.877 -10.902 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 8 . 1569 . 1 1 17 PHL CG C -7.102 23.127 -9.607 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 8 . 1570 . 1 1 17 PHL CZ C -8.709 22.929 -11.867 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 8 . 1571 . 1 1 17 PHL H H -3.501 22.427 -8.629 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 8 . 1572 . 1 1 17 PHL HA H -5.108 24.784 -9.340 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 8 . 1573 . 1 1 17 PHL HB2 H -6.004 22.233 -8.054 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 8 . 1574 . 1 1 17 PHL HB3 H -6.798 23.743 -7.619 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 8 . 1575 . 1 1 17 PHL HC1 H -3.360 24.747 -7.383 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 8 . 1576 . 1 1 17 PHL HC2 H -4.915 25.557 -7.170 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 8 . 1577 . 1 1 17 PHL HD1 H -5.993 21.513 -10.457 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 8 . 1578 . 1 1 17 PHL HD2 H -8.402 24.717 -9.026 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 8 . 1579 . 1 1 17 PHL HE1 H -7.413 21.335 -12.459 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 8 . 1580 . 1 1 17 PHL HE2 H -9.826 24.544 -11.025 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 8 . 1581 . 1 1 17 PHL HO H -4.979 24.286 -5.457 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 8 . 1582 . 1 1 17 PHL HZ H -9.333 22.851 -12.744 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 8 . 1583 . 1 1 17 PHL N N -3.924 23.100 -9.202 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 8 . 1584 . 1 1 17 PHL O O -4.721 23.751 -6.211 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 9 . 1585 . 1 1 1 ACE C C 1.421 0.897 -2.208 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 9 . 1586 . 1 1 1 ACE CH3 C 1.983 -0.079 -1.193 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 9 . 1587 . 1 1 1 ACE H1 H 2.900 -0.505 -1.571 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 9 . 1588 . 1 1 1 ACE H2 H 1.266 -0.867 -1.014 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 9 . 1589 . 1 1 1 ACE H3 H 2.183 0.441 -0.266 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 9 . 1590 . 1 1 1 ACE O O 1.686 2.097 -2.140 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 9 . 1591 . 1 1 2 PHE C C -0.904 2.242 -3.581 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 9 . 1592 . 1 1 2 PHE CA C 0.044 1.214 -4.191 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 9 . 1593 . 1 1 2 PHE CB C -0.707 0.346 -5.202 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 9 . 1594 . 1 1 2 PHE CD1 C 0.010 1.335 -7.393 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 9 . 1595 . 1 1 2 PHE CD2 C -2.299 1.433 -6.808 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 9 . 1596 . 1 1 2 PHE CE1 C -0.260 1.984 -8.583 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 9 . 1597 . 1 1 2 PHE CE2 C -2.575 2.082 -7.997 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 9 . 1598 . 1 1 2 PHE CG C -1.005 1.052 -6.494 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 9 . 1599 . 1 1 2 PHE CZ C -1.554 2.359 -8.885 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 9 . 1600 . 1 1 2 PHE H H 0.468 -0.584 -3.156 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 9 . 1601 . 1 1 2 PHE HA H 0.842 1.734 -4.698 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 9 . 1602 . 1 1 2 PHE HB2 H -0.113 -0.526 -5.430 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 9 . 1603 . 1 1 2 PHE HB3 H -1.646 0.033 -4.769 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 9 . 1604 . 1 1 2 PHE HD1 H 1.024 1.042 -7.158 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 9 . 1605 . 1 1 2 PHE HD2 H -3.099 1.218 -6.114 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 9 . 1606 . 1 1 2 PHE HE1 H 0.541 2.199 -9.275 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 9 . 1607 . 1 1 2 PHE HE2 H -3.588 2.374 -8.230 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 9 . 1608 . 1 1 2 PHE HZ H -1.768 2.865 -9.814 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 9 . 1609 . 1 1 2 PHE N N 0.643 0.381 -3.154 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 9 . 1610 . 1 1 2 PHE O O -0.767 3.443 -3.813 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 9 . 1611 . 1 1 3 ABA C C -2.106 3.725 -1.380 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 9 . 1612 . 1 1 3 ABA CA C -2.839 2.637 -2.158 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 9 . 1613 . 1 1 3 ABA H H -1.924 0.794 -2.654 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 9 . 1614 . 1 1 3 ABA N N -1.866 1.761 -2.801 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 9 . 1615 . 1 1 3 ABA O O -2.419 4.909 -1.505 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 9 . 1616 . 1 1 4 ABA C C 0.387 5.218 -0.703 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 9 . 1617 . 1 1 4 ABA CA C -0.352 4.256 0.221 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 9 . 1618 . 1 1 4 ABA H H -0.927 2.359 -0.520 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 9 . 1619 . 1 1 4 ABA N N -1.129 3.316 -0.577 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 9 . 1620 . 1 1 4 ABA O O 0.526 6.403 -0.400 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 9 . 1621 . 1 1 5 ABA C C 0.724 6.700 -3.215 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 9 . 1622 . 1 1 5 ABA CA C 1.586 5.512 -2.801 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 9 . 1623 . 1 1 5 ABA H H 0.718 3.748 -2.017 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 9 . 1624 . 1 1 5 ABA N N 0.860 4.699 -1.832 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 9 . 1625 . 1 1 5 ABA O O 1.237 7.776 -3.521 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 9 . 1626 . 1 1 6 . C C -1.231 8.806 -2.782 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 9 . 1627 . 1 1 6 . CA C -1.523 7.552 -3.599 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 9 . 1628 . 1 1 6 . CB1 C -1.365 7.864 -5.083 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 9 . 1629 . 1 1 6 . CB2 C -2.950 7.088 -3.326 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 9 . 1630 . 1 1 6 . CG1 C -1.355 6.636 -5.966 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 9 . 1631 . 1 1 6 . H H -0.939 5.618 -2.968 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 9 . 1632 . 1 1 6 . HB11 H -0.440 8.399 -5.239 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 9 . 1633 . 1 1 6 . HB12 H -2.177 8.501 -5.402 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 9 . 1634 . 1 1 6 . HB21 H -3.645 7.759 -3.810 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 9 . 1635 . 1 1 6 . HB22 H -3.132 7.089 -2.261 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 9 . 1636 . 1 1 6 . HB23 H -3.085 6.089 -3.714 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 9 . 1637 . 1 1 6 . HG11 H -2.069 5.917 -5.592 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 9 . 1638 . 1 1 6 . HG12 H -0.367 6.198 -5.962 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 9 . 1639 . 1 1 6 . HG13 H -1.620 6.915 -6.975 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 9 . 1640 . 1 1 6 . N N -0.590 6.497 -3.222 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 9 . 1641 . 1 1 6 . O O -1.409 9.925 -3.259 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 9 . 1642 . 1 1 7 GLY C C 0.478 10.720 -1.332 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 9 . 1643 . 1 1 7 GLY CA C -0.471 9.733 -0.682 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 9 . 1644 . 1 1 7 GLY H H -0.659 7.693 -1.218 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 9 . 1645 . 1 1 7 GLY HA2 H -1.389 10.244 -0.431 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 9 . 1646 . 1 1 7 GLY HA3 H -0.019 9.360 0.226 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 9 . 1647 . 1 1 7 GLY N N -0.781 8.609 -1.546 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 9 . 1648 . 1 1 7 GLY O O 0.380 11.927 -1.108 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 9 . 1649 . 1 1 8 LEU C C 1.730 11.787 -3.992 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 9 . 1650 . 1 1 8 LEU CA C 2.375 11.051 -2.822 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 9 . 1651 . 1 1 8 LEU CB C 3.550 10.208 -3.319 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 9 . 1652 . 1 1 8 LEU CD1 C 5.651 8.961 -2.760 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 9 . 1653 . 1 1 8 LEU CD2 C 4.394 10.158 -0.959 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 9 . 1654 . 1 1 8 LEU CG C 4.277 9.378 -2.260 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 9 . 1655 . 1 1 8 LEU H H 1.430 9.237 -2.277 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 9 . 1656 . 1 1 8 LEU HA H 2.739 11.779 -2.112 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 9 . 1657 . 1 1 8 LEU HB2 H 3.176 9.531 -4.071 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 9 . 1658 . 1 1 8 LEU HB3 H 4.270 10.878 -3.767 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 9 . 1659 . 1 1 8 LEU HD11 H 6.165 9.821 -3.161 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 9 . 1660 . 1 1 8 LEU HD12 H 5.542 8.213 -3.532 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 9 . 1661 . 1 1 8 LEU HD13 H 6.222 8.550 -1.940 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 9 . 1662 . 1 1 8 LEU HD21 H 4.659 11.182 -1.177 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 9 . 1663 . 1 1 8 LEU HD22 H 5.159 9.713 -0.340 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 9 . 1664 . 1 1 8 LEU HD23 H 3.449 10.133 -0.438 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 9 . 1665 . 1 1 8 LEU HG H 3.707 8.480 -2.063 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 9 . 1666 . 1 1 8 LEU N N 1.401 10.207 -2.138 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 9 . 1667 . 1 1 8 LEU O O 2.188 12.856 -4.394 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 9 . 1668 . 1 1 9 ABA C C -1.008 12.873 -5.138 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 9 . 1669 . 1 1 9 ABA CA C -0.046 11.809 -5.656 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 9 . 1670 . 1 1 9 ABA H H 0.346 10.355 -4.168 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 9 . 1671 . 1 1 9 ABA N N 0.663 11.207 -4.533 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 9 . 1672 . 1 1 9 ABA O O -1.491 13.710 -5.900 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 9 . 1673 . 1 1 10 ABA C C -1.661 15.207 -3.446 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 9 . 1674 . 1 1 10 ABA CA C -2.187 13.794 -3.219 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 9 . 1675 . 1 1 10 ABA H H -0.867 12.141 -3.283 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 9 . 1676 . 1 1 10 ABA N N -1.282 12.833 -3.838 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 9 . 1677 . 1 1 10 ABA O O -2.358 16.079 -3.966 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 9 . 1678 . 1 1 11 HYP C C 0.211 17.250 -4.638 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 9 . 1679 . 1 1 11 HYP CA C 0.246 16.748 -3.199 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 9 . 1680 . 1 1 11 HYP CB C 1.688 16.481 -2.760 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 9 . 1681 . 1 1 11 HYP CD C 0.486 14.449 -2.421 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 9 . 1682 . 1 1 11 HYP CG C 1.604 15.267 -1.901 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 9 . 1683 . 1 1 11 HYP HA H -0.199 17.488 -2.550 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 9 . 1684 . 1 1 11 HYP HB2 H 2.305 16.309 -3.631 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 9 . 1685 . 1 1 11 HYP HB3 H 2.063 17.330 -2.208 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 9 . 1686 . 1 1 11 HYP HD1 H 2.524 16.321 -0.509 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 9 . 1687 . 1 1 11 HYP HD22 H 0.709 13.643 -3.104 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 9 . 1688 . 1 1 11 HYP HD23 H 0.051 14.064 -1.510 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 9 . 1689 . 1 1 11 HYP HG H 2.286 14.518 -2.276 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 9 . 1690 . 1 1 11 HYP N N -0.402 15.442 -3.048 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 9 . 1691 . 1 1 11 HYP O O 0.404 18.437 -4.895 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 9 . 1692 . 1 1 11 HYP OD1 O 1.915 15.579 -0.537 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 9 . 1693 . 1 1 12 GLN C C -1.507 17.113 -7.383 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 9 . 1694 . 1 1 12 GLN CA C -0.097 16.688 -6.986 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 9 . 1695 . 1 1 12 GLN CB C 0.354 15.507 -7.847 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 9 . 1696 . 1 1 12 GLN CD C 2.532 16.394 -8.769 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 9 . 1697 . 1 1 12 GLN CG C 1.864 15.340 -7.909 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 9 . 1698 . 1 1 12 GLN H H -0.182 15.406 -5.305 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 9 . 1699 . 1 1 12 GLN HA H 0.575 17.518 -7.150 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 9 . 1700 . 1 1 12 GLN HB2 H -0.071 14.600 -7.443 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 9 . 1701 . 1 1 12 GLN HB3 H -0.012 15.649 -8.853 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 9 . 1702 . 1 1 12 GLN HE21 H 2.851 17.532 -7.171 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 9 . 1703 . 1 1 12 GLN HE22 H 3.414 18.172 -8.673 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 9 . 1704 . 1 1 12 GLN HG2 H 2.262 15.409 -6.907 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 9 . 1705 . 1 1 12 GLN HG3 H 2.088 14.366 -8.317 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 9 . 1706 . 1 1 12 GLN N N -0.037 16.337 -5.572 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 9 . 1707 . 1 1 12 GLN NE2 N 2.977 17.476 -8.142 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 9 . 1708 . 1 1 12 GLN O O -1.709 17.733 -8.426 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 9 . 1709 . 1 1 12 GLN OE1 O 2.648 16.237 -9.985 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 9 . 1710 . 1 1 13 . C C -4.016 18.637 -6.862 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 9 . 1711 . 1 1 13 . CA C -3.871 17.120 -6.806 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 9 . 1712 . 1 1 13 . CB1 C -4.301 16.518 -8.140 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 9 . 1713 . 1 1 13 . CB2 C -4.752 16.566 -5.691 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 9 . 1714 . 1 1 13 . CG1 C -3.579 15.236 -8.491 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 9 . 1715 . 1 1 13 . H H -2.256 16.280 -5.727 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 9 . 1716 . 1 1 13 . HB11 H -4.120 17.233 -8.929 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 9 . 1717 . 1 1 13 . HB12 H -5.361 16.311 -8.113 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 9 . 1718 . 1 1 13 . HB21 H -5.003 17.359 -5.003 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 9 . 1719 . 1 1 13 . HB22 H -4.220 15.787 -5.165 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 9 . 1720 . 1 1 13 . HB23 H -5.658 16.158 -6.117 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 9 . 1721 . 1 1 13 . HG11 H -3.450 14.639 -7.599 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 9 . 1722 . 1 1 13 . HG12 H -2.611 15.470 -8.909 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 9 . 1723 . 1 1 13 . HG13 H -4.159 14.682 -9.214 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 9 . 1724 . 1 1 13 . N N -2.480 16.774 -6.543 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 9 . 1725 . 1 1 13 . O O -4.574 19.197 -7.806 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 9 . 1726 . 1 1 14 HYP C C -2.449 21.457 -6.528 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 9 . 1727 . 1 1 14 HYP CA C -3.563 20.781 -5.737 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 9 . 1728 . 1 1 14 HYP CB C -3.394 21.050 -4.239 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 9 . 1729 . 1 1 14 HYP CD C -2.825 18.717 -4.668 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 9 . 1730 . 1 1 14 HYP CG C -2.684 19.849 -3.716 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 9 . 1731 . 1 1 14 HYP HA H -4.519 21.161 -6.067 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 9 . 1732 . 1 1 14 HYP HB2 H -2.810 21.949 -4.096 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 9 . 1733 . 1 1 14 HYP HB3 H -4.363 21.167 -3.779 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 9 . 1734 . 1 1 14 HYP HD1 H -3.271 20.344 -1.898 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 9 . 1735 . 1 1 14 HYP HD22 H -1.869 18.302 -4.953 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 9 . 1736 . 1 1 14 HYP HD23 H -3.445 17.960 -4.210 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 9 . 1737 . 1 1 14 HYP HG H -1.620 20.032 -3.726 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 9 . 1738 . 1 1 14 HYP N N -3.503 19.319 -5.828 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 9 . 1739 . 1 1 14 HYP O O -2.400 22.683 -6.626 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 9 . 1740 . 1 1 14 HYP OD1 O -3.119 19.532 -2.388 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 9 . 1741 . 1 1 15 ABA C C -0.979 22.062 -8.992 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 9 . 1742 . 1 1 15 ABA CA C -0.443 21.171 -7.876 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 9 . 1743 . 1 1 15 ABA H H -1.648 19.682 -6.978 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 9 . 1744 . 1 1 15 ABA N N -1.556 20.650 -7.092 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 9 . 1745 . 1 1 15 ABA O O -0.623 23.235 -9.109 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 9 . 1746 . 1 1 16 PRO C C -3.526 23.210 -10.497 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 9 . 1747 . 1 1 16 PRO CA C -2.462 22.218 -10.954 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 9 . 1748 . 1 1 16 PRO CB C -3.094 21.107 -11.795 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 9 . 1749 . 1 1 16 PRO CD C -2.326 20.100 -9.753 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 9 . 1750 . 1 1 16 PRO CG C -3.360 20.005 -10.829 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 9 . 1751 . 1 1 16 PRO HA H -1.717 22.736 -11.540 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 9 . 1752 . 1 1 16 PRO HB2 H -4.008 21.468 -12.245 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 9 . 1753 . 1 1 16 PRO HB3 H -2.404 20.797 -12.566 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 9 . 1754 . 1 1 16 PRO HD2 H -2.783 19.901 -8.794 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 9 . 1755 . 1 1 16 PRO HD3 H -1.516 19.410 -9.937 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 9 . 1756 . 1 1 16 PRO HG2 H -4.343 20.121 -10.400 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 9 . 1757 . 1 1 16 PRO HG3 H -3.277 19.051 -11.328 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 9 . 1758 . 1 1 16 PRO N N -1.857 21.494 -9.832 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 9 . 1759 . 1 1 16 PRO O O -4.001 24.032 -11.281 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 9 . 1760 . 1 1 17 PHL C C -4.327 24.840 -7.512 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 9 . 1761 . 1 1 17 PHL CA C -4.905 24.019 -8.661 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 9 . 1762 . 1 1 17 PHL CB C -6.111 23.215 -8.172 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 9 . 1763 . 1 1 17 PHL CD1 C -7.721 23.600 -10.058 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 9 . 1764 . 1 1 17 PHL CD2 C -7.081 21.359 -9.555 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 9 . 1765 . 1 1 17 PHL CE1 C -8.529 23.143 -11.082 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 9 . 1766 . 1 1 17 PHL CE2 C -7.887 20.896 -10.577 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 9 . 1767 . 1 1 17 PHL CG C -6.988 22.715 -9.284 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 9 . 1768 . 1 1 17 PHL CZ C -8.613 21.789 -11.341 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 9 . 1769 . 1 1 17 PHL H H -3.481 22.453 -8.647 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 9 . 1770 . 1 1 17 PHL HA H -5.224 24.692 -9.442 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 9 . 1771 . 1 1 17 PHL HB2 H -5.761 22.358 -7.615 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 9 . 1772 . 1 1 17 PHL HB3 H -6.712 23.837 -7.527 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 9 . 1773 . 1 1 17 PHL HC1 H -4.684 24.441 -6.574 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 9 . 1774 . 1 1 17 PHL HC2 H -3.248 24.785 -7.543 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 9 . 1775 . 1 1 17 PHL HD1 H -7.656 24.660 -9.855 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 9 . 1776 . 1 1 17 PHL HD2 H -6.515 20.659 -8.958 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 9 . 1777 . 1 1 17 PHL HE1 H -9.095 23.845 -11.676 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 9 . 1778 . 1 1 17 PHL HE2 H -7.951 19.837 -10.778 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 9 . 1779 . 1 1 17 PHL HO H -5.572 26.271 -8.053 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 9 . 1780 . 1 1 17 PHL HZ H -9.243 21.431 -12.141 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 9 . 1781 . 1 1 17 PHL N N -3.896 23.129 -9.223 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 9 . 1782 . 1 1 17 PHL O O -4.722 26.214 -7.609 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 10 . 1783 . 1 1 1 ACE C C 1.689 0.914 -2.101 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 10 . 1784 . 1 1 1 ACE CH3 C 2.272 -0.015 -1.054 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 10 . 1785 . 1 1 1 ACE H1 H 3.348 -0.027 -1.140 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 10 . 1786 . 1 1 1 ACE H2 H 1.887 -1.014 -1.204 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 10 . 1787 . 1 1 1 ACE H3 H 1.993 0.332 -0.069 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 10 . 1788 . 1 1 1 ACE O O 1.928 2.121 -2.072 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 10 . 1789 . 1 1 2 PHE C C -0.695 2.132 -3.521 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 10 . 1790 . 1 1 2 PHE CA C 0.309 1.136 -4.093 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 10 . 1791 . 1 1 2 PHE CB C -0.386 0.216 -5.100 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 10 . 1792 . 1 1 2 PHE CD1 C 0.315 1.485 -7.148 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 10 . 1793 . 1 1 2 PHE CD2 C -1.986 0.908 -6.904 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 10 . 1794 . 1 1 2 PHE CE1 C 0.036 2.101 -8.353 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 10 . 1795 . 1 1 2 PHE CE2 C -2.271 1.522 -8.110 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 10 . 1796 . 1 1 2 PHE CG C -0.692 0.883 -6.410 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 10 . 1797 . 1 1 2 PHE CZ C -1.258 2.118 -8.835 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 10 . 1798 . 1 1 2 PHE H H 0.772 -0.618 -3.001 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 10 . 1799 . 1 1 2 PHE HA H 1.092 1.681 -4.597 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 10 . 1800 . 1 1 2 PHE HB2 H 0.252 -0.632 -5.301 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 10 . 1801 . 1 1 2 PHE HB3 H -1.316 -0.131 -4.677 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 10 . 1802 . 1 1 2 PHE HD1 H 1.328 1.472 -6.773 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 10 . 1803 . 1 1 2 PHE HD2 H -2.779 0.441 -6.337 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 10 . 1804 . 1 1 2 PHE HE1 H 0.829 2.566 -8.919 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 10 . 1805 . 1 1 2 PHE HE2 H -3.284 1.533 -8.483 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 10 . 1806 . 1 1 2 PHE HZ H -1.479 2.598 -9.777 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 10 . 1807 . 1 1 2 PHE N N 0.925 0.350 -3.030 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 10 . 1808 . 1 1 2 PHE O O -0.602 3.334 -3.767 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 10 . 1809 . 1 1 3 ABA C C -2.009 3.592 -1.368 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 10 . 1810 . 1 1 3 ABA CA C -2.678 2.466 -2.150 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 10 . 1811 . 1 1 3 ABA H H -1.678 0.656 -2.598 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 10 . 1812 . 1 1 3 ABA N N -1.656 1.622 -2.757 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 10 . 1813 . 1 1 3 ABA O O -2.362 4.761 -1.521 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 10 . 1814 . 1 1 4 ABA C C 0.408 5.185 -0.642 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 10 . 1815 . 1 1 4 ABA CA C -0.324 4.211 0.275 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 10 . 1816 . 1 1 4 ABA H H -0.807 2.283 -0.453 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 10 . 1817 . 1 1 4 ABA N N -1.043 3.231 -0.531 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 10 . 1818 . 1 1 4 ABA O O 0.489 6.379 -0.357 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 10 . 1819 . 1 1 5 ABA C C 0.778 6.645 -3.155 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 10 . 1820 . 1 1 5 ABA CA C 1.665 5.490 -2.703 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 10 . 1821 . 1 1 5 ABA H H 0.842 3.706 -1.916 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 10 . 1822 . 1 1 5 ABA N N 0.940 4.666 -1.744 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 10 . 1823 . 1 1 5 ABA O O 1.266 7.733 -3.458 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 10 . 1824 . 1 1 6 . C C -1.253 8.692 -2.801 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 10 . 1825 . 1 1 6 . CA C -1.483 7.421 -3.611 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 10 . 1826 . 1 1 6 . CB1 C -1.293 7.722 -5.094 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 10 . 1827 . 1 1 6 . CB2 C -2.902 6.915 -3.372 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 10 . 1828 . 1 1 6 . CG1 C -1.219 6.485 -5.962 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 10 . 1829 . 1 1 6 . H H -0.856 5.513 -2.942 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 10 . 1830 . 1 1 6 . HB11 H -0.382 8.284 -5.230 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 10 . 1831 . 1 1 6 . HB12 H -2.116 8.329 -5.442 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 10 . 1832 . 1 1 6 . HB21 H -3.128 6.962 -2.317 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 10 . 1833 . 1 1 6 . HB22 H -2.982 5.893 -3.712 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 10 . 1834 . 1 1 6 . HB23 H -3.600 7.532 -3.919 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 10 . 1835 . 1 1 6 . HG11 H -1.563 6.723 -6.958 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 10 . 1836 . 1 1 6 . HG12 H -1.844 5.711 -5.541 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 10 . 1837 . 1 1 6 . HG13 H -0.197 6.138 -6.007 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 10 . 1838 . 1 1 6 . N N -0.527 6.401 -3.196 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 10 . 1839 . 1 1 6 . O O -1.452 9.800 -3.296 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 10 . 1840 . 1 1 7 GLY C C 0.354 10.675 -1.326 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 10 . 1841 . 1 1 7 GLY CA C -0.582 9.665 -0.691 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 10 . 1842 . 1 1 7 GLY H H -0.690 7.615 -1.209 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 10 . 1843 . 1 1 7 GLY HA2 H -1.522 10.150 -0.472 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 10 . 1844 . 1 1 7 GLY HA3 H -0.144 9.317 0.233 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 10 . 1845 . 1 1 7 GLY N N -0.832 8.523 -1.551 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 10 . 1846 . 1 1 7 GLY O O 0.211 11.881 -1.119 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 10 . 1847 . 1 1 8 LEU C C 1.646 11.752 -3.963 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 10 . 1848 . 1 1 8 LEU CA C 2.280 11.050 -2.766 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 10 . 1849 . 1 1 8 LEU CB C 3.495 10.240 -3.221 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 10 . 1850 . 1 1 8 LEU CD1 C 5.617 9.066 -2.589 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 10 . 1851 . 1 1 8 LEU CD2 C 4.274 10.242 -0.838 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 10 . 1852 . 1 1 8 LEU CG C 4.217 9.445 -2.133 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 10 . 1853 . 1 1 8 LEU H H 1.378 9.213 -2.227 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 10 . 1854 . 1 1 8 LEU HA H 2.601 11.797 -2.055 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 10 . 1855 . 1 1 8 LEU HB2 H 3.164 9.542 -3.975 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 10 . 1856 . 1 1 8 LEU HB3 H 4.206 10.928 -3.657 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 10 . 1857 . 1 1 8 LEU HD11 H 6.179 8.686 -1.750 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 10 . 1858 . 1 1 8 LEU HD12 H 6.114 9.937 -2.990 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 10 . 1859 . 1 1 8 LEU HD13 H 5.553 8.306 -3.354 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 10 . 1860 . 1 1 8 LEU HD21 H 3.322 10.175 -0.333 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 10 . 1861 . 1 1 8 LEU HD22 H 4.489 11.277 -1.062 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 10 . 1862 . 1 1 8 LEU HD23 H 5.049 9.842 -0.202 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 10 . 1863 . 1 1 8 LEU HG H 3.671 8.532 -1.941 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 10 . 1864 . 1 1 8 LEU N N 1.315 10.183 -2.100 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 10 . 1865 . 1 1 8 LEU O O 2.081 12.831 -4.365 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 10 . 1866 . 1 1 9 ABA C C -1.092 12.739 -5.197 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 10 . 1867 . 1 1 9 ABA CA C -0.083 11.700 -5.675 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 10 . 1868 . 1 1 9 ABA H H 0.312 10.276 -4.160 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 10 . 1869 . 1 1 9 ABA N N 0.613 11.134 -4.526 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 10 . 1870 . 1 1 9 ABA O O -1.579 13.553 -5.981 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 10 . 1871 . 1 1 10 ABA C C -1.867 15.069 -3.551 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 10 . 1872 . 1 1 10 ABA CA C -2.354 13.642 -3.322 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 10 . 1873 . 1 1 10 ABA H H -0.981 12.031 -3.330 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 10 . 1874 . 1 1 10 ABA N N -1.402 12.704 -3.905 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 10 . 1875 . 1 1 10 ABA O O -2.576 15.912 -4.101 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 10 . 1876 . 1 1 11 HYP C C -0.027 17.157 -4.716 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 10 . 1877 . 1 1 11 HYP CA C -0.017 16.672 -3.270 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 10 . 1878 . 1 1 11 HYP CB C 1.420 16.457 -2.788 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 10 . 1879 . 1 1 11 HYP CD C 0.275 14.391 -2.458 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 10 . 1880 . 1 1 11 HYP CG C 1.351 15.250 -1.917 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 10 . 1881 . 1 1 11 HYP HA H -0.502 17.405 -2.642 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 10 . 1882 . 1 1 11 HYP HB2 H 2.067 16.294 -3.639 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 10 . 1883 . 1 1 11 HYP HB3 H 1.752 17.323 -2.236 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 10 . 1884 . 1 1 11 HYP HD1 H 1.320 14.845 0.013 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 10 . 1885 . 1 1 11 HYP HD22 H 0.541 13.585 -3.126 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 10 . 1886 . 1 1 11 HYP HD23 H -0.173 14.002 -1.556 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 10 . 1887 . 1 1 11 HYP HG H 2.104 14.541 -2.230 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 10 . 1888 . 1 1 11 HYP N N -0.627 15.347 -3.122 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 10 . 1889 . 1 1 11 HYP O O 0.137 18.347 -4.981 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 10 . 1890 . 1 1 11 HYP OD1 O 1.542 15.597 -0.540 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 10 . 1891 . 1 1 12 GLN C C -1.663 16.933 -7.505 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 10 . 1892 . 1 1 12 GLN CA C -0.252 16.560 -7.064 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 10 . 1893 . 1 1 12 GLN CB C 0.262 15.385 -7.898 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 10 . 1894 . 1 1 12 GLN CD C 2.449 16.464 -8.556 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 10 . 1895 . 1 1 12 GLN CG C 1.777 15.266 -7.914 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 10 . 1896 . 1 1 12 GLN H H -0.345 15.295 -5.370 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 10 . 1897 . 1 1 12 GLN HA H 0.396 17.409 -7.219 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 10 . 1898 . 1 1 12 GLN HB2 H -0.145 14.469 -7.496 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 10 . 1899 . 1 1 12 GLN HB3 H -0.079 15.505 -8.916 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 10 . 1900 . 1 1 12 GLN HE21 H 3.283 16.957 -6.819 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 10 . 1901 . 1 1 12 GLN HE22 H 3.650 17.996 -8.150 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 10 . 1902 . 1 1 12 GLN HG2 H 2.130 15.178 -6.897 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 10 . 1903 . 1 1 12 GLN HG3 H 2.050 14.380 -8.467 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 10 . 1904 . 1 1 12 GLN N N -0.221 16.226 -5.645 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 10 . 1905 . 1 1 12 GLN NE2 N 3.203 17.216 -7.762 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 10 . 1906 . 1 1 12 GLN O O -1.856 17.534 -8.562 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 10 . 1907 . 1 1 12 GLN OE1 O 2.292 16.712 -9.752 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 10 . 1908 . 1 1 13 . C C -4.234 18.380 -7.076 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 10 . 1909 . 1 1 13 . CA C -4.042 16.870 -6.994 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 10 . 1910 . 1 1 13 . CB1 C -4.415 16.236 -8.330 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 10 . 1911 . 1 1 13 . CB2 C -4.935 16.303 -5.895 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 10 . 1912 . 1 1 13 . CG1 C -3.643 14.973 -8.642 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 10 . 1913 . 1 1 13 . H H -2.431 16.097 -5.860 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 10 . 1914 . 1 1 13 . HB11 H -4.235 16.946 -9.124 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 10 . 1915 . 1 1 13 . HB12 H -5.468 15.996 -8.329 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 10 . 1916 . 1 1 13 . HB21 H -4.394 15.546 -5.346 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 10 . 1917 . 1 1 13 . HB22 H -5.817 15.865 -6.338 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 10 . 1918 . 1 1 13 . HB23 H -5.226 17.097 -5.223 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 10 . 1919 . 1 1 13 . HG11 H -4.184 14.392 -9.374 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 10 . 1920 . 1 1 13 . HG12 H -3.522 14.392 -7.739 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 10 . 1921 . 1 1 13 . HG13 H -2.671 15.233 -9.035 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 10 . 1922 . 1 1 13 . N N -2.648 16.573 -6.688 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 10 . 1923 . 1 1 13 . O O -4.785 18.909 -8.042 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 10 . 1924 . 1 1 14 HYP C C -2.757 21.255 -6.735 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 10 . 1925 . 1 1 14 HYP CA C -3.877 20.554 -5.973 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 10 . 1926 . 1 1 14 HYP CB C -3.769 20.849 -4.475 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 10 . 1927 . 1 1 14 HYP CD C -3.099 18.530 -4.856 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 10 . 1928 . 1 1 14 HYP CG C -3.045 19.676 -3.909 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 10 . 1929 . 1 1 14 HYP HA H -4.832 20.899 -6.341 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 10 . 1930 . 1 1 14 HYP HB2 H -3.216 21.765 -4.324 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 10 . 1931 . 1 1 14 HYP HB3 H -4.757 20.945 -4.051 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 10 . 1932 . 1 1 14 HYP HD1 H -3.254 18.424 -2.398 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 10 . 1933 . 1 1 14 HYP HD22 H -2.121 18.150 -5.110 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 10 . 1934 . 1 1 14 HYP HD23 H -3.703 17.756 -4.406 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 10 . 1935 . 1 1 14 HYP HG H -2.003 19.928 -3.782 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 10 . 1936 . 1 1 14 HYP N N -3.768 19.094 -6.041 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 10 . 1937 . 1 1 14 HYP O O -2.740 22.480 -6.845 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 10 . 1938 . 1 1 14 HYP OD1 O -3.613 19.276 -2.655 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 10 . 1939 . 1 1 15 ABA C C -1.226 21.877 -9.157 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 10 . 1940 . 1 1 15 ABA CA C -0.701 21.014 -8.015 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 10 . 1941 . 1 1 15 ABA H H -1.892 19.499 -7.141 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 10 . 1942 . 1 1 15 ABA N N -1.824 20.468 -7.262 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 10 . 1943 . 1 1 15 ABA O O -0.894 23.056 -9.280 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 10 . 1944 . 1 1 16 PRO C C -3.200 23.349 -10.789 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 10 . 1945 . 1 1 16 PRO CA C -2.656 21.974 -11.161 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 10 . 1946 . 1 1 16 PRO CB C -3.795 21.047 -11.591 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 10 . 1947 . 1 1 16 PRO CD C -2.505 19.875 -9.928 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 10 . 1948 . 1 1 16 PRO CG C -3.384 19.696 -11.117 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 10 . 1949 . 1 1 16 PRO HA H -1.948 22.076 -11.971 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 10 . 1950 . 1 1 16 PRO HB2 H -4.717 21.365 -11.126 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 10 . 1951 . 1 1 16 PRO HB3 H -3.900 21.073 -12.666 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 10 . 1952 . 1 1 16 PRO HD2 H -3.018 19.687 -8.996 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 10 . 1953 . 1 1 16 PRO HD3 H -1.668 19.202 -10.043 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 10 . 1954 . 1 1 16 PRO HG2 H -4.255 19.124 -10.837 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 10 . 1955 . 1 1 16 PRO HG3 H -2.833 19.186 -11.895 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 10 . 1956 . 1 1 16 PRO N N -2.066 21.278 -10.014 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 10 . 1957 . 1 1 16 PRO O O -3.194 24.272 -11.603 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 10 . 1958 . 1 1 17 PHL C C -3.134 25.588 -8.410 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 10 . 1959 . 1 1 17 PHL CA C -4.218 24.742 -9.072 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 10 . 1960 . 1 1 17 PHL CB C -5.355 24.484 -8.081 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 10 . 1961 . 1 1 17 PHL CD1 C -7.323 25.207 -9.459 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 10 . 1962 . 1 1 17 PHL CD2 C -7.271 22.966 -8.646 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 10 . 1963 . 1 1 17 PHL CE1 C -8.539 24.962 -10.069 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 10 . 1964 . 1 1 17 PHL CE2 C -8.487 22.715 -9.255 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 10 . 1965 . 1 1 17 PHL CG C -6.676 24.214 -8.742 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 10 . 1966 . 1 1 17 PHL CZ C -9.122 23.714 -9.966 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 10 . 1967 . 1 1 17 PHL H H -3.647 22.706 -8.949 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 10 . 1968 . 1 1 17 PHL HA H -4.608 25.278 -9.923 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 10 . 1969 . 1 1 17 PHL HB2 H -5.107 23.627 -7.474 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 10 . 1970 . 1 1 17 PHL HB3 H -5.472 25.349 -7.445 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 10 . 1971 . 1 1 17 PHL HC1 H -3.536 26.048 -7.519 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 10 . 1972 . 1 1 17 PHL HC2 H -2.299 24.956 -8.148 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 10 . 1973 . 1 1 17 PHL HD1 H -6.868 26.184 -9.540 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 10 . 1974 . 1 1 17 PHL HD2 H -6.777 22.184 -8.090 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 10 . 1975 . 1 1 17 PHL HE1 H -9.033 25.745 -10.625 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 10 . 1976 . 1 1 17 PHL HE2 H -8.941 21.738 -9.172 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 10 . 1977 . 1 1 17 PHL HO H -2.085 26.239 -9.949 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 10 . 1978 . 1 1 17 PHL HZ H -10.071 23.520 -10.442 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 10 . 1979 . 1 1 17 PHL N N -3.669 23.479 -9.552 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 10 . 1980 . 1 1 17 PHL O O -2.675 26.618 -9.294 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 11 . 1981 . 1 1 1 ACE C C 1.696 0.913 -2.146 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 11 . 1982 . 1 1 1 ACE CH3 C 2.298 -0.021 -1.115 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 11 . 1983 . 1 1 1 ACE H1 H 1.533 -0.681 -0.735 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 11 . 1984 . 1 1 1 ACE H2 H 2.711 0.558 -0.302 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 11 . 1985 . 1 1 1 ACE H3 H 3.082 -0.607 -1.574 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 11 . 1986 . 1 1 1 ACE O O 1.944 2.118 -2.122 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 11 . 1987 . 1 1 2 PHE C C -0.716 2.149 -3.504 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 11 . 1988 . 1 1 2 PHE CA C 0.266 1.146 -4.102 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 11 . 1989 . 1 1 2 PHE CB C -0.460 0.231 -5.091 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 11 . 1990 . 1 1 2 PHE CD1 C -1.886 1.744 -6.496 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 11 . 1991 . 1 1 2 PHE CD2 C -0.009 0.687 -7.517 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 11 . 1992 . 1 1 2 PHE CE1 C -2.194 2.360 -7.694 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 11 . 1993 . 1 1 2 PHE CE2 C -0.311 1.301 -8.718 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 11 . 1994 . 1 1 2 PHE CG C -0.792 0.901 -6.394 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 11 . 1995 . 1 1 2 PHE CZ C -1.405 2.139 -8.806 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 11 . 1996 . 1 1 2 PHE H H 0.744 -0.612 -3.023 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 11 . 1997 . 1 1 2 PHE HA H 1.040 1.686 -4.626 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 11 . 1998 . 1 1 2 PHE HB2 H 0.165 -0.622 -5.307 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 11 . 1999 . 1 1 2 PHE HB3 H -1.383 -0.107 -4.645 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 11 . 2000 . 1 1 2 PHE HD1 H -2.504 1.918 -5.627 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 11 . 2001 . 1 1 2 PHE HD2 H 0.848 0.031 -7.449 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 11 . 2002 . 1 1 2 PHE HE1 H -3.050 3.016 -7.760 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 11 . 2003 . 1 1 2 PHE HE2 H 0.308 1.126 -9.585 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 11 . 2004 . 1 1 2 PHE HZ H -1.643 2.620 -9.743 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 11 . 2005 . 1 1 2 PHE N N 0.904 0.355 -3.056 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 11 . 2006 . 1 1 2 PHE O O -0.620 3.351 -3.752 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 11 . 2007 . 1 1 3 ABA C C -1.964 3.617 -1.318 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 11 . 2008 . 1 1 3 ABA CA C -2.660 2.497 -2.083 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 11 . 2009 . 1 1 3 ABA H H -1.685 0.679 -2.557 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 11 . 2010 . 1 1 3 ABA N N -1.660 1.646 -2.716 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 11 . 2011 . 1 1 3 ABA O O -2.311 4.789 -1.461 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 11 . 2012 . 1 1 4 ABA C C 0.482 5.192 -0.653 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 11 . 2013 . 1 1 4 ABA CA C -0.233 4.222 0.282 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 11 . 2014 . 1 1 4 ABA H H -0.748 2.299 -0.434 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 11 . 2015 . 1 1 4 ABA N N -0.979 3.248 -0.506 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 11 . 2016 . 1 1 4 ABA O O 0.579 6.385 -0.369 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 11 . 2017 . 1 1 5 ABA C C 0.799 6.651 -3.174 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 11 . 2018 . 1 1 5 ABA CA C 1.689 5.489 -2.745 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 11 . 2019 . 1 1 5 ABA H H 0.873 3.711 -1.938 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 11 . 2020 . 1 1 5 ABA N N 0.982 4.670 -1.768 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 11 . 2021 . 1 1 5 ABA O O 1.286 7.736 -3.490 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 11 . 2022 . 1 1 6 . C C -1.209 8.711 -2.768 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 11 . 2023 . 1 1 6 . CA C -1.468 7.442 -3.572 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 11 . 2024 . 1 1 6 . CB1 C -1.314 7.743 -5.059 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 11 . 2025 . 1 1 6 . CB2 C -2.884 6.946 -3.298 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 11 . 2026 . 1 1 6 . CG1 C -1.271 6.506 -5.930 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 11 . 2027 . 1 1 6 . H H -0.837 5.530 -2.920 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 11 . 2028 . 1 1 6 . HB11 H -0.402 8.299 -5.218 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 11 . 2029 . 1 1 6 . HB12 H -2.140 8.356 -5.387 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 11 . 2030 . 1 1 6 . HB21 H -2.947 5.893 -3.525 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 11 . 2031 . 1 1 6 . HB22 H -3.582 7.491 -3.916 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 11 . 2032 . 1 1 6 . HB23 H -3.125 7.105 -2.257 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 11 . 2033 . 1 1 6 . HG11 H -1.557 6.765 -6.938 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 11 . 2034 . 1 1 6 . HG12 H -1.956 5.767 -5.540 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 11 . 2035 . 1 1 6 . HG13 H -0.269 6.102 -5.932 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 11 . 2036 . 1 1 6 . N N -0.509 6.415 -3.182 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 11 . 2037 . 1 1 6 . O O -1.413 9.821 -3.257 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 11 . 2038 . 1 1 7 GLY C C 0.449 10.683 -1.335 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 11 . 2039 . 1 1 7 GLY CA C -0.477 9.680 -0.676 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 11 . 2040 . 1 1 7 GLY H H -0.613 7.630 -1.191 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 11 . 2041 . 1 1 7 GLY HA2 H -1.408 10.170 -0.433 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 11 . 2042 . 1 1 7 GLY HA3 H -0.018 9.328 0.236 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 11 . 2043 . 1 1 7 GLY N N -0.757 8.539 -1.529 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 11 . 2044 . 1 1 7 GLY O O 0.320 11.890 -1.124 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 11 . 2045 . 1 1 8 LEU C C 1.680 11.753 -4.003 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 11 . 2046 . 1 1 8 LEU CA C 2.340 11.046 -2.824 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 11 . 2047 . 1 1 8 LEU CB C 3.537 10.227 -3.310 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 11 . 2048 . 1 1 8 LEU CD1 C 5.667 9.039 -2.732 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 11 . 2049 . 1 1 8 LEU CD2 C 4.376 10.223 -0.947 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 11 . 2050 . 1 1 8 LEU CG C 4.281 9.427 -2.241 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 11 . 2051 . 1 1 8 LEU H H 1.440 9.215 -2.261 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 11 . 2052 . 1 1 8 LEU HA H 2.684 11.790 -2.120 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 11 . 2053 . 1 1 8 LEU HB2 H 3.182 9.533 -4.055 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 11 . 2054 . 1 1 8 LEU HB3 H 4.242 10.910 -3.763 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 11 . 2055 . 1 1 8 LEU HD11 H 6.245 8.647 -1.909 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 11 . 2056 . 1 1 8 LEU HD12 H 6.162 9.909 -3.137 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 11 . 2057 . 1 1 8 LEU HD13 H 5.579 8.285 -3.501 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 11 . 2058 . 1 1 8 LEU HD21 H 3.442 10.147 -0.410 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 11 . 2059 . 1 1 8 LEU HD22 H 4.576 11.259 -1.176 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 11 . 2060 . 1 1 8 LEU HD23 H 5.175 9.827 -0.338 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 11 . 2061 . 1 1 8 LEU HG H 3.734 8.517 -2.035 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 11 . 2062 . 1 1 8 LEU N N 1.386 10.185 -2.133 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 11 . 2063 . 1 1 8 LEU O O 2.112 12.828 -4.416 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 11 . 2064 . 1 1 9 ABA C C -1.082 12.758 -5.166 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 11 . 2065 . 1 1 9 ABA CA C -0.092 11.713 -5.671 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 11 . 2066 . 1 1 9 ABA H H 0.332 10.285 -4.167 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 11 . 2067 . 1 1 9 ABA N N 0.629 11.141 -4.540 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 11 . 2068 . 1 1 9 ABA O O -1.583 13.576 -5.938 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 11 . 2069 . 1 1 10 ABA C C -1.798 15.093 -3.501 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 11 . 2070 . 1 1 10 ABA CA C -2.289 13.669 -3.260 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 11 . 2071 . 1 1 10 ABA H H -0.927 12.049 -3.304 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 11 . 2072 . 1 1 10 ABA N N -1.359 12.725 -3.867 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 11 . 2073 . 1 1 10 ABA O O -2.515 15.941 -4.032 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 11 . 2074 . 1 1 11 HYP C C 0.026 17.168 -4.712 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 11 . 2075 . 1 1 11 HYP CA C 0.070 16.683 -3.267 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 11 . 2076 . 1 1 11 HYP CB C 1.517 16.458 -2.822 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 11 . 2077 . 1 1 11 HYP CD C 0.366 14.400 -2.463 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 11 . 2078 . 1 1 11 HYP CG C 1.462 15.251 -1.950 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 11 . 2079 . 1 1 11 HYP HA H -0.395 17.419 -2.627 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 11 . 2080 . 1 1 11 HYP HB2 H 2.141 16.292 -3.689 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 11 . 2081 . 1 1 11 HYP HB3 H 1.869 17.322 -2.279 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 11 . 2082 . 1 1 11 HYP HD1 H 1.072 15.246 -0.016 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 11 . 2083 . 1 1 11 HYP HD22 H 0.610 13.593 -3.138 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 11 . 2084 . 1 1 11 HYP HD23 H -0.061 14.014 -1.550 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 11 . 2085 . 1 1 11 HYP HG H 2.162 14.515 -2.316 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 11 . 2086 . 1 1 11 HYP N N -0.546 15.363 -3.103 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 11 . 2087 . 1 1 11 HYP O O 0.191 18.358 -4.981 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 11 . 2088 . 1 1 11 HYP OD1 O 1.763 15.585 -0.589 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 11 . 2089 . 1 1 12 GLN C C -1.683 16.957 -7.458 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 11 . 2090 . 1 1 12 GLN CA C -0.263 16.575 -7.054 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 11 . 2091 . 1 1 12 GLN CB C 0.221 15.396 -7.900 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 11 . 2092 . 1 1 12 GLN CD C 2.395 16.443 -8.649 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 11 . 2093 . 1 1 12 GLN CG C 1.734 15.267 -7.956 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 11 . 2094 . 1 1 12 GLN H H -0.322 15.309 -5.359 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 11 . 2095 . 1 1 12 GLN HA H 0.387 17.419 -7.225 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 11 . 2096 . 1 1 12 GLN HB2 H -0.182 14.483 -7.488 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 11 . 2097 . 1 1 12 GLN HB3 H -0.145 15.518 -8.909 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 11 . 2098 . 1 1 12 GLN HE21 H 2.913 17.218 -6.893 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 11 . 2099 . 1 1 12 GLN HE22 H 3.390 18.124 -8.284 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 11 . 2100 . 1 1 12 GLN HG2 H 2.115 15.204 -6.947 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 11 . 2101 . 1 1 12 GLN HG3 H 1.986 14.364 -8.491 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 11 . 2102 . 1 1 12 GLN N N -0.198 16.240 -5.636 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 11 . 2103 . 1 1 12 GLN NE2 N 2.956 17.354 -7.863 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 11 . 2104 . 1 1 12 GLN O O -1.898 17.560 -8.510 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 11 . 2105 . 1 1 12 GLN OE1 O 2.401 16.530 -9.877 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 11 . 2106 . 1 1 13 . C C -4.232 18.422 -6.964 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 11 . 2107 . 1 1 13 . CA C -4.048 16.910 -6.886 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 11 . 2108 . 1 1 13 . CB1 C -4.460 16.279 -8.212 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 11 . 2109 . 1 1 13 . CB2 C -4.917 16.349 -5.765 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 11 . 2110 . 1 1 13 . CG1 C -3.704 15.011 -8.544 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 11 . 2111 . 1 1 13 . H H -2.414 16.125 -5.794 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 11 . 2112 . 1 1 13 . HB11 H -4.295 16.988 -9.011 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 11 . 2113 . 1 1 13 . HB12 H -5.514 16.046 -8.185 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 11 . 2114 . 1 1 13 . HB21 H -5.185 17.144 -5.086 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 11 . 2115 . 1 1 13 . HB22 H -4.367 15.588 -5.231 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 11 . 2116 . 1 1 13 . HB23 H -5.813 15.917 -6.186 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 11 . 2117 . 1 1 13 . HG11 H -4.268 14.434 -9.263 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 11 . 2118 . 1 1 13 . HG12 H -3.565 14.429 -7.645 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 11 . 2119 . 1 1 13 . HG13 H -2.741 15.264 -8.962 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 11 . 2120 . 1 1 13 . N N -2.649 16.603 -6.616 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 11 . 2121 . 1 1 13 . O O -4.804 18.954 -7.915 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 11 . 2122 . 1 1 14 HYP C C -2.728 21.286 -6.660 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 11 . 2123 . 1 1 14 HYP CA C -3.832 20.593 -5.869 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 11 . 2124 . 1 1 14 HYP CB C -3.683 20.886 -4.374 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 11 . 2125 . 1 1 14 HYP CD C -3.040 18.563 -4.773 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 11 . 2126 . 1 1 14 HYP CG C -2.953 19.708 -3.828 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 11 . 2127 . 1 1 14 HYP HA H -4.794 20.944 -6.213 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 11 . 2128 . 1 1 14 HYP HB2 H -3.120 21.799 -4.238 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 11 . 2129 . 1 1 14 HYP HB3 H -4.660 20.988 -3.925 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 11 . 2130 . 1 1 14 HYP HD1 H -3.068 19.533 -1.865 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 11 . 2131 . 1 1 14 HYP HD22 H -2.071 18.176 -5.052 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 11 . 2132 . 1 1 14 HYP HD23 H -3.637 17.792 -4.308 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 11 . 2133 . 1 1 14 HYP HG H -1.927 19.983 -3.635 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 11 . 2134 . 1 1 14 HYP N N -3.735 19.132 -5.940 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 11 . 2135 . 1 1 14 HYP O O -2.706 22.511 -6.770 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 11 . 2136 . 1 1 14 HYP OD1 O -3.571 19.232 -2.625 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 11 . 2137 . 1 1 15 ABA C C -1.255 21.899 -9.120 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 11 . 2138 . 1 1 15 ABA CA C -0.706 21.032 -7.991 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 11 . 2139 . 1 1 15 ABA H H -1.885 19.524 -7.087 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 11 . 2140 . 1 1 15 ABA N N -1.813 20.493 -7.210 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 11 . 2141 . 1 1 15 ABA O O -0.919 23.076 -9.251 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 11 . 2142 . 1 1 16 PRO C C -3.259 23.385 -10.700 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 11 . 2143 . 1 1 16 PRO CA C -2.735 22.006 -11.087 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 11 . 2144 . 1 1 16 PRO CB C -3.892 21.087 -11.487 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 11 . 2145 . 1 1 16 PRO CD C -2.567 19.906 -9.859 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 11 . 2146 . 1 1 16 PRO CG C -3.478 19.733 -11.024 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 11 . 2147 . 1 1 16 PRO HA H -2.047 22.103 -11.914 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 11 . 2148 . 1 1 16 PRO HB2 H -4.799 21.412 -10.998 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 11 . 2149 . 1 1 16 PRO HB3 H -4.024 21.114 -12.558 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 11 . 2150 . 1 1 16 PRO HD2 H -3.056 19.721 -8.914 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 11 . 2151 . 1 1 16 PRO HD3 H -1.738 19.227 -9.995 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 11 . 2152 . 1 1 16 PRO HG2 H -4.345 19.168 -10.719 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 11 . 2153 . 1 1 16 PRO HG3 H -2.952 19.219 -11.815 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 11 . 2154 . 1 1 16 PRO N N -2.121 21.306 -9.955 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 11 . 2155 . 1 1 16 PRO O O -3.267 24.308 -11.514 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 11 . 2156 . 1 1 17 PHL C C -3.262 25.420 -7.958 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 11 . 2157 . 1 1 17 PHL CA C -4.223 24.784 -8.958 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 11 . 2158 . 1 1 17 PHL CB C -5.590 24.572 -8.303 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 11 . 2159 . 1 1 17 PHL CD1 C -7.177 24.896 -10.220 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 11 . 2160 . 1 1 17 PHL CD2 C -7.081 22.753 -9.178 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 11 . 2161 . 1 1 17 PHL CE1 C -8.140 24.431 -11.095 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 11 . 2162 . 1 1 17 PHL CE2 C -8.044 22.283 -10.051 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 11 . 2163 . 1 1 17 PHL CG C -6.637 24.063 -9.253 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 11 . 2164 . 1 1 17 PHL CZ C -8.575 23.123 -11.010 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 11 . 2165 . 1 1 17 PHL H H -3.665 22.745 -8.850 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 11 . 2166 . 1 1 17 PHL HA H -4.337 25.447 -9.801 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 11 . 2167 . 1 1 17 PHL HB2 H -5.491 23.853 -7.504 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 11 . 2168 . 1 1 17 PHL HB3 H -5.936 25.510 -7.897 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 11 . 2169 . 1 1 17 PHL HC1 H -3.369 24.932 -7.000 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 11 . 2170 . 1 1 17 PHL HC2 H -2.249 25.303 -8.314 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 11 . 2171 . 1 1 17 PHL HD1 H -6.838 25.920 -10.287 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 11 . 2172 . 1 1 17 PHL HD2 H -6.668 22.095 -8.428 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 11 . 2173 . 1 1 17 PHL HE1 H -8.553 25.091 -11.844 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 11 . 2174 . 1 1 17 PHL HE2 H -8.382 21.259 -9.983 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 11 . 2175 . 1 1 17 PHL HO H -4.139 26.943 -7.061 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 11 . 2176 . 1 1 17 PHL HZ H -9.327 22.758 -11.694 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 11 . 2177 . 1 1 17 PHL N N -3.697 23.517 -9.452 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 11 . 2178 . 1 1 17 PHL O O -3.536 26.817 -7.797 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 12 . 2179 . 1 1 1 ACE C C 1.767 0.902 -2.152 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 12 . 2180 . 1 1 1 ACE CH3 C 2.365 -0.029 -1.117 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 12 . 2181 . 1 1 1 ACE H1 H 2.134 0.335 -0.127 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 12 . 2182 . 1 1 1 ACE H2 H 3.437 -0.070 -1.244 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 12 . 2183 . 1 1 1 ACE H3 H 1.952 -1.020 -1.241 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 12 . 2184 . 1 1 1 ACE O O 2.003 2.110 -2.121 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 12 . 2185 . 1 1 2 PHE C C -0.640 2.120 -3.534 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 12 . 2186 . 1 1 2 PHE CA C 0.358 1.129 -4.124 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 12 . 2187 . 1 1 2 PHE CB C -0.347 0.211 -5.124 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 12 . 2188 . 1 1 2 PHE CD1 C 0.332 1.476 -7.182 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 12 . 2189 . 1 1 2 PHE CD2 C -1.969 0.917 -6.904 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 12 . 2190 . 1 1 2 PHE CE1 C 0.040 2.093 -8.384 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 12 . 2191 . 1 1 2 PHE CE2 C -2.267 1.532 -8.105 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 12 . 2192 . 1 1 2 PHE CG C -0.668 0.881 -6.430 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 12 . 2193 . 1 1 2 PHE CZ C -1.261 2.122 -8.846 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 12 . 2194 . 1 1 2 PHE H H 0.840 -0.628 -3.045 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 12 . 2195 . 1 1 2 PHE HA H 1.133 1.678 -4.636 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 12 . 2196 . 1 1 2 PHE HB2 H 0.288 -0.637 -5.334 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 12 . 2197 . 1 1 2 PHE HB3 H -1.273 -0.136 -4.692 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 12 . 2198 . 1 1 2 PHE HD1 H 1.351 1.454 -6.822 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 12 . 2199 . 1 1 2 PHE HD2 H -2.757 0.457 -6.325 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 12 . 2200 . 1 1 2 PHE HE1 H 0.829 2.553 -8.960 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 12 . 2201 . 1 1 2 PHE HE2 H -3.285 1.554 -8.463 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 12 . 2202 . 1 1 2 PHE HZ H -1.491 2.603 -9.784 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 12 . 2203 . 1 1 2 PHE N N 0.991 0.340 -3.073 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 12 . 2204 . 1 1 2 PHE O O -0.553 3.324 -3.776 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 12 . 2205 . 1 1 3 ABA C C -1.928 3.569 -1.358 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 12 . 2206 . 1 1 3 ABA CA C -2.605 2.444 -2.135 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 12 . 2207 . 1 1 3 ABA H H -1.606 0.638 -2.603 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 12 . 2208 . 1 1 3 ABA N N -1.589 1.605 -2.759 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 12 . 2209 . 1 1 3 ABA O O -2.285 4.737 -1.501 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 12 . 2210 . 1 1 4 ABA C C 0.495 5.164 -0.658 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 12 . 2211 . 1 1 4 ABA CA C -0.223 4.185 0.265 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 12 . 2212 . 1 1 4 ABA H H -0.710 2.259 -0.465 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 12 . 2213 . 1 1 4 ABA N N -0.949 3.206 -0.535 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 12 . 2214 . 1 1 4 ABA O O 0.577 6.358 -0.369 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 12 . 2215 . 1 1 5 ABA C C 0.827 6.635 -3.170 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 12 . 2216 . 1 1 5 ABA CA C 1.724 5.481 -2.735 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 12 . 2217 . 1 1 5 ABA H H 0.915 3.692 -1.943 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 12 . 2218 . 1 1 5 ABA N N 1.013 4.651 -1.769 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 12 . 2219 . 1 1 5 ABA O O 1.308 7.726 -3.476 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 12 . 2220 . 1 1 6 . C C -1.204 8.675 -2.781 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 12 . 2221 . 1 1 6 . CA C -1.442 7.406 -3.593 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 12 . 2222 . 1 1 6 . CB1 C -1.273 7.714 -5.077 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 12 . 2223 . 1 1 6 . CB2 C -2.856 6.896 -3.337 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 12 . 2224 . 1 1 6 . CG1 C -1.207 6.480 -5.951 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 12 . 2225 . 1 1 6 . H H -0.801 5.498 -2.940 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 12 . 2226 . 1 1 6 . HB11 H -0.364 8.279 -5.223 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 12 . 2227 . 1 1 6 . HB12 H -2.101 8.320 -5.412 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 12 . 2228 . 1 1 6 . HB21 H -3.024 6.818 -2.273 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 12 . 2229 . 1 1 6 . HB22 H -2.976 5.924 -3.792 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 12 . 2230 . 1 1 6 . HB23 H -3.570 7.585 -3.765 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 12 . 2231 . 1 1 6 . HG11 H -0.232 6.024 -5.857 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 12 . 2232 . 1 1 6 . HG12 H -1.376 6.759 -6.980 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 12 . 2233 . 1 1 6 . HG13 H -1.965 5.777 -5.639 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 12 . 2234 . 1 1 6 . N N -0.478 6.387 -3.195 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 12 . 2235 . 1 1 6 . O O -1.413 9.785 -3.269 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 12 . 2236 . 1 1 7 GLY C C 0.417 10.657 -1.321 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 12 . 2237 . 1 1 7 GLY CA C -0.507 9.643 -0.677 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 12 . 2238 . 1 1 7 GLY H H -0.617 7.594 -1.201 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 12 . 2239 . 1 1 7 GLY HA2 H -1.445 10.123 -0.443 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 12 . 2240 . 1 1 7 GLY HA3 H -0.056 9.292 0.239 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 12 . 2241 . 1 1 7 GLY N N -0.766 8.503 -1.537 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 12 . 2242 . 1 1 7 GLY O O 0.274 11.862 -1.108 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 12 . 2243 . 1 1 8 LEU C C 1.670 11.748 -3.971 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 12 . 2244 . 1 1 8 LEU CA C 2.323 11.043 -2.786 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 12 . 2245 . 1 1 8 LEU CB C 3.533 10.238 -3.260 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 12 . 2246 . 1 1 8 LEU CD1 C 5.668 9.067 -2.661 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 12 . 2247 . 1 1 8 LEU CD2 C 4.344 10.233 -0.888 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 12 . 2248 . 1 1 8 LEU CG C 4.272 9.440 -2.185 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 12 . 2249 . 1 1 8 LEU H H 1.433 9.202 -2.241 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 12 . 2250 . 1 1 8 LEU HA H 2.651 11.788 -2.076 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 12 . 2251 . 1 1 8 LEU HB2 H 3.194 9.542 -4.012 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 12 . 2252 . 1 1 8 LEU HB3 H 4.237 10.929 -3.702 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 12 . 2253 . 1 1 8 LEU HD11 H 6.240 8.681 -1.831 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 12 . 2254 . 1 1 8 LEU HD12 H 6.158 9.943 -3.059 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 12 . 2255 . 1 1 8 LEU HD13 H 5.595 8.314 -3.432 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 12 . 2256 . 1 1 8 LEU HD21 H 4.507 11.277 -1.113 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 12 . 2257 . 1 1 8 LEU HD22 H 5.160 9.863 -0.284 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 12 . 2258 . 1 1 8 LEU HD23 H 3.416 10.122 -0.347 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 12 . 2259 . 1 1 8 LEU HG H 3.731 8.525 -1.989 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 12 . 2260 . 1 1 8 LEU N N 1.369 10.170 -2.109 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 12 . 2261 . 1 1 8 LEU O O 2.097 12.829 -4.374 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 12 . 2262 . 1 1 9 ABA C C -1.087 12.731 -5.164 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 12 . 2263 . 1 1 9 ABA CA C -0.081 11.698 -5.660 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 12 . 2264 . 1 1 9 ABA H H 0.338 10.269 -4.156 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 12 . 2265 . 1 1 9 ABA N N 0.632 11.129 -4.522 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 12 . 2266 . 1 1 9 ABA O O -1.586 13.547 -5.938 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 12 . 2267 . 1 1 10 ABA C C -1.845 15.053 -3.499 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 12 . 2268 . 1 1 10 ABA CA C -2.325 13.624 -3.269 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 12 . 2269 . 1 1 10 ABA H H -0.948 12.017 -3.302 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 12 . 2270 . 1 1 10 ABA N N -1.379 12.691 -3.868 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 12 . 2271 . 1 1 10 ABA O O -2.564 15.897 -4.036 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 12 . 2272 . 1 1 11 HYP C C -0.027 17.150 -4.681 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 12 . 2273 . 1 1 11 HYP CA C 0.004 16.660 -3.237 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 12 . 2274 . 1 1 11 HYP CB C 1.448 16.447 -2.776 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 12 . 2275 . 1 1 11 HYP CD C 0.313 14.377 -2.438 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 12 . 2276 . 1 1 11 HYP CG C 1.394 15.237 -1.908 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 12 . 2277 . 1 1 11 HYP HA H -0.475 17.390 -2.600 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 12 . 2278 . 1 1 11 HYP HB2 H 2.084 16.290 -3.636 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 12 . 2279 . 1 1 11 HYP HB3 H 1.785 17.312 -2.225 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 12 . 2280 . 1 1 11 HYP HD1 H 0.799 15.937 -0.162 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 12 . 2281 . 1 1 11 HYP HD22 H 0.573 13.575 -3.113 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 12 . 2282 . 1 1 11 HYP HD23 H -0.122 13.984 -1.531 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 12 . 2283 . 1 1 11 HYP HG H 2.141 14.530 -2.237 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 12 . 2284 . 1 1 11 HYP N N -0.600 15.334 -3.085 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 12 . 2285 . 1 1 11 HYP O O 0.130 18.342 -4.944 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 12 . 2286 . 1 1 11 HYP OD1 O 1.609 15.579 -0.533 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 12 . 2287 . 1 1 12 GLN C C -1.700 16.933 -7.448 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 12 . 2288 . 1 1 12 GLN CA C -0.282 16.562 -7.028 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 12 . 2289 . 1 1 12 GLN CB C 0.223 15.391 -7.873 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 12 . 2290 . 1 1 12 GLN CD C 2.381 16.329 -8.792 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 12 . 2291 . 1 1 12 GLN CG C 1.739 15.277 -7.910 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 12 . 2292 . 1 1 12 GLN H H -0.349 15.290 -5.338 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 12 . 2293 . 1 1 12 GLN HA H 0.362 17.414 -7.189 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 12 . 2294 . 1 1 12 GLN HB2 H -0.176 14.473 -7.469 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 12 . 2295 . 1 1 12 GLN HB3 H -0.132 15.514 -8.885 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 12 . 2296 . 1 1 12 GLN HE21 H 2.933 17.370 -7.191 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 12 . 2297 . 1 1 12 GLN HE22 H 3.379 18.047 -8.717 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 12 . 2298 . 1 1 12 GLN HG2 H 2.120 15.390 -6.906 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 12 . 2299 . 1 1 12 GLN HG3 H 2.004 14.300 -8.287 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 12 . 2300 . 1 1 12 GLN N N -0.231 16.223 -5.611 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 12 . 2301 . 1 1 12 GLN NE2 N 2.955 17.353 -8.171 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 12 . 2302 . 1 1 12 GLN O O -1.909 17.537 -8.500 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 12 . 2303 . 1 1 12 GLN OE1 O 2.362 16.223 -10.019 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 12 . 2304 . 1 1 13 . C C -4.269 18.371 -6.979 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 12 . 2305 . 1 1 13 . CA C -4.072 16.861 -6.905 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 12 . 2306 . 1 1 13 . CB1 C -4.461 16.231 -8.238 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 12 . 2307 . 1 1 13 . CB2 C -4.948 16.288 -5.797 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 12 . 2308 . 1 1 13 . CG1 C -3.690 14.971 -8.565 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 12 . 2309 . 1 1 13 . H H -2.443 16.088 -5.796 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 12 . 2310 . 1 1 13 . HB11 H -4.294 16.944 -9.032 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 12 . 2311 . 1 1 13 . HB12 H -5.513 15.988 -8.224 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 12 . 2312 . 1 1 13 . HB21 H -4.398 15.530 -5.258 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 12 . 2313 . 1 1 13 . HB22 H -5.835 15.849 -6.230 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 12 . 2314 . 1 1 13 . HB23 H -5.232 17.078 -5.117 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 12 . 2315 . 1 1 13 . HG11 H -4.239 14.391 -9.292 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 12 . 2316 . 1 1 13 . HG12 H -3.556 14.388 -7.666 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 12 . 2317 . 1 1 13 . HG13 H -2.724 15.235 -8.970 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 12 . 2318 . 1 1 13 . N N -2.673 16.567 -6.619 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 12 . 2319 . 1 1 13 . O O -4.835 18.902 -7.935 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 12 . 2320 . 1 1 14 HYP C C -2.796 21.248 -6.648 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 12 . 2321 . 1 1 14 HYP CA C -3.903 20.542 -5.873 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 12 . 2322 . 1 1 14 HYP CB C -3.775 20.831 -4.375 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 12 . 2323 . 1 1 14 HYP CD C -3.105 18.516 -4.774 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 12 . 2324 . 1 1 14 HYP CG C -3.041 19.658 -3.824 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 12 . 2325 . 1 1 14 HYP HA H -4.864 20.885 -6.227 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 12 . 2326 . 1 1 14 HYP HB2 H -3.223 21.749 -4.229 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 12 . 2327 . 1 1 14 HYP HB3 H -4.758 20.923 -3.937 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 12 . 2328 . 1 1 14 HYP HD1 H -3.548 20.040 -1.956 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 12 . 2329 . 1 1 14 HYP HD22 H -2.129 18.139 -5.042 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 12 . 2330 . 1 1 14 HYP HD23 H -3.700 17.738 -4.318 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 12 . 2331 . 1 1 14 HYP HG H -1.991 19.901 -3.743 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 12 . 2332 . 1 1 14 HYP N N -3.791 19.082 -5.947 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 12 . 2333 . 1 1 14 HYP O O -2.784 22.474 -6.753 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 12 . 2334 . 1 1 14 HYP OD1 O -3.560 19.281 -2.543 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 12 . 2335 . 1 1 15 ABA C C -1.300 21.884 -9.087 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 12 . 2336 . 1 1 15 ABA CA C -0.756 21.018 -7.956 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 12 . 2337 . 1 1 15 ABA H H -1.931 19.496 -7.071 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 12 . 2338 . 1 1 15 ABA N N -1.867 20.467 -7.189 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 12 . 2339 . 1 1 15 ABA O O -0.973 23.065 -9.210 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 12 . 2340 . 1 1 16 PRO C C -3.299 23.356 -10.687 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 12 . 2341 . 1 1 16 PRO CA C -2.757 21.984 -11.072 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 12 . 2342 . 1 1 16 PRO CB C -3.900 21.055 -11.490 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 12 . 2343 . 1 1 16 PRO CD C -2.584 19.881 -9.849 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 12 . 2344 . 1 1 16 PRO CG C -3.478 19.704 -11.026 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 12 . 2345 . 1 1 16 PRO HA H -2.060 22.091 -11.890 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 12 . 2346 . 1 1 16 PRO HB2 H -4.816 21.370 -11.010 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 12 . 2347 . 1 1 16 PRO HB3 H -4.019 21.085 -12.562 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 12 . 2348 . 1 1 16 PRO HD2 H -3.083 19.689 -8.911 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 12 . 2349 . 1 1 16 PRO HD3 H -1.746 19.211 -9.978 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 12 . 2350 . 1 1 16 PRO HG2 H -4.344 19.129 -10.735 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 12 . 2351 . 1 1 16 PRO HG3 H -2.938 19.198 -11.813 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 12 . 2352 . 1 1 16 PRO N N -2.150 21.286 -9.935 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 12 . 2353 . 1 1 16 PRO O O -3.306 24.282 -11.498 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 12 . 2354 . 1 1 17 PHL C C -3.318 25.422 -8.000 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 12 . 2355 . 1 1 17 PHL CA C -4.297 24.740 -8.951 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 12 . 2356 . 1 1 17 PHL CB C -5.631 24.500 -8.241 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 12 . 2357 . 1 1 17 PHL CD1 C -7.137 25.244 -10.106 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 12 . 2358 . 1 1 17 PHL CD2 C -7.502 23.093 -9.145 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 12 . 2359 . 1 1 17 PHL CE1 C -8.192 25.040 -10.974 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 12 . 2360 . 1 1 17 PHL CE2 C -8.558 22.883 -10.011 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 12 . 2361 . 1 1 17 PHL CG C -6.779 24.275 -9.183 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 12 . 2362 . 1 1 17 PHL CZ C -8.905 23.858 -10.926 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 12 . 2363 . 1 1 17 PHL H H -3.720 22.706 -8.843 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 12 . 2364 . 1 1 17 PHL HA H -4.462 25.384 -9.801 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 12 . 2365 . 1 1 17 PHL HB2 H -5.544 23.628 -7.611 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 12 . 2366 . 1 1 17 PHL HB3 H -5.865 25.359 -7.630 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 12 . 2367 . 1 1 17 PHL HC1 H -3.614 26.451 -7.862 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 12 . 2368 . 1 1 17 PHL HC2 H -3.329 24.909 -7.050 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 12 . 2369 . 1 1 17 PHL HD1 H -6.580 26.170 -10.144 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 12 . 2370 . 1 1 17 PHL HD2 H -7.233 22.330 -8.430 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 12 . 2371 . 1 1 17 PHL HE1 H -8.460 25.805 -11.688 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 12 . 2372 . 1 1 17 PHL HE2 H -9.114 21.958 -9.971 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 12 . 2373 . 1 1 17 PHL HO H -1.356 25.348 -7.801 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 12 . 2374 . 1 1 17 PHL HZ H -9.729 23.696 -11.604 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 12 . 2375 . 1 1 17 PHL N N -3.752 23.480 -9.444 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 12 . 2376 . 1 1 17 PHL O O -1.985 25.391 -8.525 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 13 . 2377 . 1 1 1 ACE C C 1.705 0.912 -2.091 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 13 . 2378 . 1 1 1 ACE CH3 C 2.281 -0.015 -1.039 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 13 . 2379 . 1 1 1 ACE H1 H 2.373 0.514 -0.102 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 13 . 2380 . 1 1 1 ACE H2 H 3.255 -0.359 -1.355 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 13 . 2381 . 1 1 1 ACE H3 H 1.625 -0.864 -0.909 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 13 . 2382 . 1 1 1 ACE O O 1.940 2.120 -2.060 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 13 . 2383 . 1 1 2 PHE C C -0.671 2.124 -3.530 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 13 . 2384 . 1 1 2 PHE CA C 0.339 1.130 -4.094 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 13 . 2385 . 1 1 2 PHE CB C -0.345 0.208 -5.105 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 13 . 2386 . 1 1 2 PHE CD1 C 0.330 0.940 -7.409 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 13 . 2387 . 1 1 2 PHE CD2 C -1.882 1.432 -6.666 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 13 . 2388 . 1 1 2 PHE CE1 C 0.062 1.552 -8.619 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 13 . 2389 . 1 1 2 PHE CE2 C -2.156 2.045 -7.874 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 13 . 2390 . 1 1 2 PHE CG C -0.638 0.873 -6.420 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 13 . 2391 . 1 1 2 PHE CZ C -1.182 2.104 -8.852 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 13 . 2392 . 1 1 2 PHE H H 0.798 -0.622 -2.997 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 13 . 2393 . 1 1 2 PHE HA H 1.125 1.677 -4.592 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 13 . 2394 . 1 1 2 PHE HB2 H 0.295 -0.640 -5.299 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 13 . 2395 . 1 1 2 PHE HB3 H -1.279 -0.138 -4.691 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 13 . 2396 . 1 1 2 PHE HD1 H 1.303 0.507 -7.229 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 13 . 2397 . 1 1 2 PHE HD2 H -2.645 1.386 -5.901 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 13 . 2398 . 1 1 2 PHE HE1 H 0.825 1.597 -9.382 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 13 . 2399 . 1 1 2 PHE HE2 H -3.130 2.475 -8.053 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 13 . 2400 . 1 1 2 PHE HZ H -1.394 2.583 -9.797 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 13 . 2401 . 1 1 2 PHE N N 0.949 0.346 -3.026 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 13 . 2402 . 1 1 2 PHE O O -0.579 3.327 -3.775 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 13 . 2403 . 1 1 3 ABA C C -2.006 3.582 -1.388 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 13 . 2404 . 1 1 3 ABA CA C -2.666 2.454 -2.175 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 13 . 2405 . 1 1 3 ABA H H -1.658 0.646 -2.614 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 13 . 2406 . 1 1 3 ABA N N -1.637 1.613 -2.774 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 13 . 2407 . 1 1 3 ABA O O -2.360 4.750 -1.544 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 13 . 2408 . 1 1 4 ABA C C 0.401 5.181 -0.643 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 13 . 2409 . 1 1 4 ABA CA C -0.336 4.205 0.268 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 13 . 2410 . 1 1 4 ABA H H -0.808 2.276 -0.463 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 13 . 2411 . 1 1 4 ABA N N -1.045 3.223 -0.543 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 13 . 2412 . 1 1 4 ABA O O 0.477 6.375 -0.358 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 13 . 2413 . 1 1 5 ABA C C 0.788 6.641 -3.154 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 13 . 2414 . 1 1 5 ABA CA C 1.674 5.488 -2.694 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 13 . 2415 . 1 1 5 ABA H H 0.849 3.703 -1.913 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 13 . 2416 . 1 1 5 ABA N N 0.943 4.663 -1.741 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 13 . 2417 . 1 1 5 ABA O O 1.276 7.730 -3.454 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 13 . 2418 . 1 1 6 . C C -1.251 8.683 -2.816 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 13 . 2419 . 1 1 6 . CA C -1.471 7.411 -3.628 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 13 . 2420 . 1 1 6 . CB1 C -1.270 7.712 -5.110 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 13 . 2421 . 1 1 6 . CB2 C -2.891 6.902 -3.401 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 13 . 2422 . 1 1 6 . CG1 C -1.186 6.475 -5.977 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 13 . 2423 . 1 1 6 . H H -0.845 5.505 -2.954 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 13 . 2424 . 1 1 6 . HB11 H -0.359 8.277 -5.238 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 13 . 2425 . 1 1 6 . HB12 H -2.091 8.318 -5.465 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 13 . 2426 . 1 1 6 . HB21 H -2.954 5.866 -3.701 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 13 . 2427 . 1 1 6 . HB22 H -3.582 7.489 -3.987 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 13 . 2428 . 1 1 6 . HB23 H -3.141 6.989 -2.354 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 13 . 2429 . 1 1 6 . HG11 H -0.164 6.326 -6.292 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 13 . 2430 . 1 1 6 . HG12 H -1.815 6.601 -6.846 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 13 . 2431 . 1 1 6 . HG13 H -1.518 5.617 -5.413 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 13 . 2432 . 1 1 6 . N N -0.517 6.393 -3.206 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 13 . 2433 . 1 1 6 . O O -1.450 9.791 -3.313 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 13 . 2434 . 1 1 7 GLY C C 0.339 10.670 -1.330 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 13 . 2435 . 1 1 7 GLY CA C -0.600 9.659 -0.702 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 13 . 2436 . 1 1 7 GLY H H -0.698 7.608 -1.220 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 13 . 2437 . 1 1 7 GLY HA2 H -1.542 10.140 -0.490 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 13 . 2438 . 1 1 7 GLY HA3 H -0.168 9.312 0.225 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 13 . 2439 . 1 1 7 GLY N N -0.840 8.515 -1.563 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 13 . 2440 . 1 1 7 GLY O O 0.191 11.876 -1.125 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 13 . 2441 . 1 1 8 LEU C C 1.649 11.751 -3.956 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 13 . 2442 . 1 1 8 LEU CA C 2.275 11.051 -2.755 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 13 . 2443 . 1 1 8 LEU CB C 3.496 10.243 -3.200 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 13 . 2444 . 1 1 8 LEU CD1 C 5.617 9.076 -2.550 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 13 . 2445 . 1 1 8 LEU CD2 C 4.254 10.247 -0.810 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 13 . 2446 . 1 1 8 LEU CG C 4.211 9.450 -2.106 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 13 . 2447 . 1 1 8 LEU H H 1.374 9.211 -2.222 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 13 . 2448 . 1 1 8 LEU HA H 2.589 11.798 -2.041 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 13 . 2449 . 1 1 8 LEU HB2 H 3.172 9.545 -3.956 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 13 . 2450 . 1 1 8 LEU HB3 H 4.208 10.933 -3.630 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 13 . 2451 . 1 1 8 LEU HD11 H 6.170 8.689 -1.707 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 13 . 2452 . 1 1 8 LEU HD12 H 6.116 9.951 -2.938 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 13 . 2453 . 1 1 8 LEU HD13 H 5.561 8.321 -3.322 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 13 . 2454 . 1 1 8 LEU HD21 H 5.055 9.878 -0.187 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 13 . 2455 . 1 1 8 LEU HD22 H 3.314 10.138 -0.289 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 13 . 2456 . 1 1 8 LEU HD23 H 4.424 11.290 -1.035 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 13 . 2457 . 1 1 8 LEU HG H 3.666 8.535 -1.918 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 13 . 2458 . 1 1 8 LEU N N 1.307 10.181 -2.096 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 13 . 2459 . 1 1 8 LEU O O 2.084 12.830 -4.355 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 13 . 2460 . 1 1 9 ABA C C -1.082 12.729 -5.212 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 13 . 2461 . 1 1 9 ABA CA C -0.066 11.694 -5.682 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 13 . 2462 . 1 1 9 ABA H H 0.321 10.271 -4.164 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 13 . 2463 . 1 1 9 ABA N N 0.622 11.129 -4.528 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 13 . 2464 . 1 1 9 ABA O O -1.565 13.542 -6.000 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 13 . 2465 . 1 1 10 ABA C C -1.876 15.058 -3.574 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 13 . 2466 . 1 1 10 ABA CA C -2.361 13.630 -3.348 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 13 . 2467 . 1 1 10 ABA H H -0.984 12.023 -3.345 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 13 . 2468 . 1 1 10 ABA N N -1.402 12.694 -3.923 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 13 . 2469 . 1 1 10 ABA O O -2.582 15.899 -4.129 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 13 . 2470 . 1 1 11 HYP C C -0.032 17.150 -4.724 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 13 . 2471 . 1 1 11 HYP CA C -0.032 16.666 -3.278 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 13 . 2472 . 1 1 11 HYP CB C 1.401 16.455 -2.785 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 13 . 2473 . 1 1 11 HYP CD C 0.259 14.386 -2.463 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 13 . 2474 . 1 1 11 HYP CG C 1.328 15.248 -1.914 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 13 . 2475 . 1 1 11 HYP HA H -0.525 17.398 -2.654 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 13 . 2476 . 1 1 11 HYP HB2 H 2.055 16.294 -3.630 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 13 . 2477 . 1 1 11 HYP HB3 H 1.727 17.322 -2.230 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 13 . 2478 . 1 1 11 HYP HD1 H 1.839 14.807 -0.060 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 13 . 2479 . 1 1 11 HYP HD22 H 0.533 13.581 -3.129 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 13 . 2480 . 1 1 11 HYP HD23 H -0.195 13.996 -1.564 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 13 . 2481 . 1 1 11 HYP HG H 2.059 14.525 -2.246 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 13 . 2482 . 1 1 11 HYP N N -0.640 15.340 -3.134 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 13 . 2483 . 1 1 11 HYP O O 0.130 18.341 -4.988 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 13 . 2484 . 1 1 11 HYP OD1 O 1.559 15.588 -0.541 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 13 . 2485 . 1 1 12 GLN C C -1.646 16.922 -7.526 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 13 . 2486 . 1 1 12 GLN CA C -0.237 16.553 -7.074 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 13 . 2487 . 1 1 12 GLN CB C 0.286 15.378 -7.903 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 13 . 2488 . 1 1 12 GLN CD C 2.472 16.417 -8.628 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 13 . 2489 . 1 1 12 GLN CG C 1.802 15.264 -7.907 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 13 . 2490 . 1 1 12 GLN H H -0.340 15.287 -5.380 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 13 . 2491 . 1 1 12 GLN HA H 0.410 17.404 -7.224 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 13 . 2492 . 1 1 12 GLN HB2 H -0.122 14.462 -7.504 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 13 . 2493 . 1 1 12 GLN HB3 H -0.047 15.497 -8.923 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 13 . 2494 . 1 1 12 GLN HE21 H 2.908 17.282 -6.891 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 13 . 2495 . 1 1 12 GLN HE22 H 3.427 18.130 -8.304 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 13 . 2496 . 1 1 12 GLN HG2 H 2.152 15.247 -6.886 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 13 . 2497 . 1 1 12 GLN HG3 H 2.079 14.342 -8.397 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 13 . 2498 . 1 1 12 GLN N N -0.216 16.219 -5.654 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 13 . 2499 . 1 1 12 GLN NE2 N 2.987 17.374 -7.864 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 13 . 2500 . 1 1 12 GLN O O -1.831 17.522 -8.584 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 13 . 2501 . 1 1 12 GLN OE1 O 2.526 16.448 -9.858 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 13 . 2502 . 1 1 13 . C C -4.223 18.362 -7.118 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 13 . 2503 . 1 1 13 . CA C -4.028 16.852 -7.034 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 13 . 2504 . 1 1 13 . CB1 C -4.389 16.217 -8.372 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 13 . 2505 . 1 1 13 . CB2 C -4.929 16.284 -5.942 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 13 . 2506 . 1 1 13 . CG1 C -3.611 14.956 -8.678 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 13 . 2507 . 1 1 13 . H H -2.424 16.084 -5.886 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 13 . 2508 . 1 1 13 . HB11 H -4.205 16.927 -9.165 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 13 . 2509 . 1 1 13 . HB12 H -5.441 15.974 -8.380 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 13 . 2510 . 1 1 13 . HB21 H -5.227 17.076 -5.272 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 13 . 2511 . 1 1 13 . HB22 H -4.390 15.528 -5.389 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 13 . 2512 . 1 1 13 . HB23 H -5.806 15.843 -6.392 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 13 . 2513 . 1 1 13 . HG11 H -2.637 15.219 -9.063 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 13 . 2514 . 1 1 13 . HG12 H -4.144 14.374 -9.414 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 13 . 2515 . 1 1 13 . HG13 H -3.496 14.376 -7.774 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 13 . 2516 . 1 1 13 . N N -2.636 16.559 -6.716 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 13 . 2517 . 1 1 13 . O O -4.769 18.889 -8.088 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 13 . 2518 . 1 1 14 HYP C C -2.757 21.241 -6.766 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 13 . 2519 . 1 1 14 HYP CA C -3.881 20.537 -6.012 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 13 . 2520 . 1 1 14 HYP CB C -3.786 20.833 -4.513 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 13 . 2521 . 1 1 14 HYP CD C -3.107 18.516 -4.889 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 13 . 2522 . 1 1 14 HYP CG C -3.063 19.662 -3.942 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 13 . 2523 . 1 1 14 HYP HA H -4.834 20.879 -6.388 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 13 . 2524 . 1 1 14 HYP HB2 H -3.236 21.751 -4.359 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 13 . 2525 . 1 1 14 HYP HB3 H -4.777 20.926 -4.097 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 13 . 2526 . 1 1 14 HYP HD1 H -4.048 18.571 -2.625 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 13 . 2527 . 1 1 14 HYP HD22 H -2.126 18.138 -5.134 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 13 . 2528 . 1 1 14 HYP HD23 H -3.712 17.740 -4.443 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 13 . 2529 . 1 1 14 HYP HG H -2.003 19.867 -3.934 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 13 . 2530 . 1 1 14 HYP N N -3.768 19.077 -6.079 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 13 . 2531 . 1 1 14 HYP O O -2.743 22.466 -6.876 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 13 . 2532 . 1 1 14 HYP OD1 O -3.520 19.372 -2.615 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 13 . 2533 . 1 1 15 ABA C C -1.209 21.867 -9.175 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 13 . 2534 . 1 1 15 ABA CA C -0.690 21.005 -8.029 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 13 . 2535 . 1 1 15 ABA H H -1.884 19.487 -7.164 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 13 . 2536 . 1 1 15 ABA N N -1.818 20.457 -7.284 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 13 . 2537 . 1 1 15 ABA O O -0.879 23.047 -9.296 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 13 . 2538 . 1 1 16 PRO C C -3.173 23.333 -10.823 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 13 . 2539 . 1 1 16 PRO CA C -2.623 21.959 -11.191 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 13 . 2540 . 1 1 16 PRO CB C -3.756 21.029 -11.630 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 13 . 2541 . 1 1 16 PRO CD C -2.476 19.861 -9.957 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 13 . 2542 . 1 1 16 PRO CG C -3.345 19.679 -11.152 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 13 . 2543 . 1 1 16 PRO HA H -1.908 22.062 -11.995 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 13 . 2544 . 1 1 16 PRO HB2 H -4.683 21.346 -11.172 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 13 . 2545 . 1 1 16 PRO HB3 H -3.853 21.054 -12.705 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 13 . 2546 . 1 1 16 PRO HD2 H -2.995 19.672 -9.029 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 13 . 2547 . 1 1 16 PRO HD3 H -1.637 19.190 -10.065 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 13 . 2548 . 1 1 16 PRO HG2 H -4.217 19.105 -10.877 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 13 . 2549 . 1 1 16 PRO HG3 H -2.788 19.171 -11.925 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 13 . 2550 . 1 1 16 PRO N N -2.040 21.265 -10.039 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 13 . 2551 . 1 1 16 PRO O O -3.163 24.256 -11.638 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 13 . 2552 . 1 1 17 PHL C C -3.113 25.619 -8.543 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 13 . 2553 . 1 1 17 PHL CA C -4.208 24.723 -9.115 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 13 . 2554 . 1 1 17 PHL CB C -5.278 24.466 -8.052 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 13 . 2555 . 1 1 17 PHL CD1 C -7.195 22.952 -8.627 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 13 . 2556 . 1 1 17 PHL CD2 C -7.382 25.270 -9.158 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 13 . 2557 . 1 1 17 PHL CE1 C -8.454 22.727 -9.153 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 13 . 2558 . 1 1 17 PHL CE2 C -8.641 25.050 -9.684 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 13 . 2559 . 1 1 17 PHL CG C -6.646 24.224 -8.624 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 13 . 2560 . 1 1 17 PHL CZ C -9.177 23.777 -9.683 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 13 . 2561 . 1 1 17 PHL H H -3.634 22.690 -8.987 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 13 . 2562 . 1 1 17 PHL HA H -4.663 25.223 -9.956 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 13 . 2563 . 1 1 17 PHL HB2 H -5.001 23.595 -7.476 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 13 . 2564 . 1 1 17 PHL HB3 H -5.337 25.321 -7.396 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 13 . 2565 . 1 1 17 PHL HC1 H -3.527 26.230 -7.755 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 13 . 2566 . 1 1 17 PHL HC2 H -2.320 25.002 -8.146 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 13 . 2567 . 1 1 17 PHL HD1 H -6.630 22.129 -8.213 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 13 . 2568 . 1 1 17 PHL HD2 H -6.964 26.265 -9.161 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 13 . 2569 . 1 1 17 PHL HE1 H -8.870 21.730 -9.150 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 13 . 2570 . 1 1 17 PHL HE2 H -9.204 25.873 -10.098 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 13 . 2571 . 1 1 17 PHL HO H -2.034 27.158 -9.142 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 13 . 2572 . 1 1 17 PHL HZ H -10.161 23.604 -10.093 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 13 . 2573 . 1 1 17 PHL N N -3.653 23.462 -9.591 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 13 . 2574 . 1 1 17 PHL O O -2.568 26.476 -9.555 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 14 . 2575 . 1 1 1 ACE C C 1.693 0.919 -2.124 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 14 . 2576 . 1 1 1 ACE CH3 C 2.272 -0.012 -1.077 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 14 . 2577 . 1 1 1 ACE H1 H 2.017 0.349 -0.092 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 14 . 2578 . 1 1 1 ACE H2 H 3.347 -0.046 -1.181 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 14 . 2579 . 1 1 1 ACE H3 H 1.866 -1.004 -1.213 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 14 . 2580 . 1 1 1 ACE O O 1.931 2.127 -2.092 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 14 . 2581 . 1 1 2 PHE C C -0.688 2.140 -3.548 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 14 . 2582 . 1 1 2 PHE CA C 0.317 1.144 -4.119 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 14 . 2583 . 1 1 2 PHE CB C -0.375 0.226 -5.129 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 14 . 2584 . 1 1 2 PHE CD1 C 0.338 1.225 -7.318 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 14 . 2585 . 1 1 2 PHE CD2 C -1.987 1.199 -6.787 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 14 . 2586 . 1 1 2 PHE CE1 C 0.060 1.841 -8.523 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 14 . 2587 . 1 1 2 PHE CE2 C -2.271 1.815 -7.991 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 14 . 2588 . 1 1 2 PHE CG C -0.681 0.897 -6.438 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 14 . 2589 . 1 1 2 PHE CZ C -1.247 2.138 -8.860 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 14 . 2590 . 1 1 2 PHE H H 0.777 -0.611 -3.029 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 14 . 2591 . 1 1 2 PHE HA H 1.101 1.690 -4.621 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 14 . 2592 . 1 1 2 PHE HB2 H 0.264 -0.620 -5.332 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 14 . 2593 . 1 1 2 PHE HB3 H -1.306 -0.123 -4.708 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 14 . 2594 . 1 1 2 PHE HD1 H 1.360 0.993 -7.055 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 14 . 2595 . 1 1 2 PHE HD2 H -2.789 0.949 -6.109 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 14 . 2596 . 1 1 2 PHE HE1 H 0.863 2.092 -9.200 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 14 . 2597 . 1 1 2 PHE HE2 H -3.293 2.047 -8.252 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 14 . 2598 . 1 1 2 PHE HZ H -1.466 2.619 -9.801 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 14 . 2599 . 1 1 2 PHE N N 0.930 0.357 -3.056 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 14 . 2600 . 1 1 2 PHE O O -0.594 3.343 -3.792 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 14 . 2601 . 1 1 3 ABA C C -2.007 3.597 -1.397 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 14 . 2602 . 1 1 3 ABA CA C -2.674 2.473 -2.182 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 14 . 2603 . 1 1 3 ABA H H -1.673 0.663 -2.630 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 14 . 2604 . 1 1 3 ABA N N -1.651 1.629 -2.787 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 14 . 2605 . 1 1 3 ABA O O -2.359 4.767 -1.548 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 14 . 2606 . 1 1 4 ABA C C 0.408 5.188 -0.662 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 14 . 2607 . 1 1 4 ABA CA C -0.326 4.213 0.252 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 14 . 2608 . 1 1 4 ABA H H -0.807 2.287 -0.480 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 14 . 2609 . 1 1 4 ABA N N -1.043 3.235 -0.557 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 14 . 2610 . 1 1 4 ABA O O 0.489 6.382 -0.375 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 14 . 2611 . 1 1 5 ABA C C 0.785 6.652 -3.171 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 14 . 2612 . 1 1 5 ABA CA C 1.671 5.496 -2.719 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 14 . 2613 . 1 1 5 ABA H H 0.845 3.712 -1.937 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 14 . 2614 . 1 1 5 ABA N N 0.943 4.671 -1.763 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 14 . 2615 . 1 1 5 ABA O O 1.274 7.741 -3.472 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 14 . 2616 . 1 1 6 . C C -1.247 8.699 -2.819 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 14 . 2617 . 1 1 6 . CA C -1.475 7.429 -3.632 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 14 . 2618 . 1 1 6 . CB1 C -1.282 7.732 -5.114 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 14 . 2619 . 1 1 6 . CB2 C -2.894 6.923 -3.398 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 14 . 2620 . 1 1 6 . CG1 C -1.205 6.497 -5.984 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 14 . 2621 . 1 1 6 . H H -0.850 5.520 -2.965 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 14 . 2622 . 1 1 6 . HB11 H -0.370 8.295 -5.247 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 14 . 2623 . 1 1 6 . HB12 H -2.103 8.340 -5.464 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 14 . 2624 . 1 1 6 . HB21 H -3.587 7.510 -3.983 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 14 . 2625 . 1 1 6 . HB22 H -3.141 7.014 -2.350 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 14 . 2626 . 1 1 6 . HB23 H -2.961 5.887 -3.694 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 14 . 2627 . 1 1 6 . HG11 H -0.291 5.963 -5.771 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 14 . 2628 . 1 1 6 . HG12 H -1.218 6.788 -7.024 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 14 . 2629 . 1 1 6 . HG13 H -2.051 5.858 -5.778 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 14 . 2630 . 1 1 6 . N N -0.521 6.408 -3.217 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 14 . 2631 . 1 1 6 . O O -1.445 9.808 -3.313 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 14 . 2632 . 1 1 7 GLY C C 0.357 10.679 -1.338 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 14 . 2633 . 1 1 7 GLY CA C -0.581 9.669 -0.707 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 14 . 2634 . 1 1 7 GLY H H -0.688 7.620 -1.228 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 14 . 2635 . 1 1 7 GLY HA2 H -1.521 10.153 -0.489 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 14 . 2636 . 1 1 7 GLY HA3 H -0.145 9.319 0.218 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 14 . 2637 . 1 1 7 GLY N N -0.829 8.528 -1.568 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 14 . 2638 . 1 1 7 GLY O O 0.214 11.885 -1.130 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 14 . 2639 . 1 1 8 LEU C C 1.655 11.760 -3.970 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 14 . 2640 . 1 1 8 LEU CA C 2.287 11.056 -2.773 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 14 . 2641 . 1 1 8 LEU CB C 3.502 10.247 -3.226 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 14 . 2642 . 1 1 8 LEU CD1 C 5.623 9.071 -2.590 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 14 . 2643 . 1 1 8 LEU CD2 C 4.276 10.246 -0.841 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 14 . 2644 . 1 1 8 LEU CG C 4.222 9.450 -2.137 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 14 . 2645 . 1 1 8 LEU H H 1.383 9.219 -2.238 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 14 . 2646 . 1 1 8 LEU HA H 2.606 11.802 -2.059 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 14 . 2647 . 1 1 8 LEU HB2 H 3.173 9.550 -3.982 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 14 . 2648 . 1 1 8 LEU HB3 H 4.215 10.935 -3.659 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 14 . 2649 . 1 1 8 LEU HD11 H 5.562 8.301 -3.344 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 14 . 2650 . 1 1 8 LEU HD12 H 6.188 8.705 -1.746 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 14 . 2651 . 1 1 8 LEU HD13 H 6.115 9.940 -3.002 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 14 . 2652 . 1 1 8 LEU HD21 H 5.093 9.887 -0.233 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 14 . 2653 . 1 1 8 LEU HD22 H 3.346 10.122 -0.304 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 14 . 2654 . 1 1 8 LEU HD23 H 4.426 11.291 -1.067 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 14 . 2655 . 1 1 8 LEU HG H 3.675 8.536 -1.947 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 14 . 2656 . 1 1 8 LEU N N 1.320 10.188 -2.110 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 14 . 2657 . 1 1 8 LEU O O 2.092 12.839 -4.369 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 14 . 2658 . 1 1 9 ABA C C -1.079 12.749 -5.209 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 14 . 2659 . 1 1 9 ABA CA C -0.069 11.712 -5.686 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 14 . 2660 . 1 1 9 ABA H H 0.322 10.285 -4.173 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 14 . 2661 . 1 1 9 ABA N N 0.624 11.143 -4.537 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 14 . 2662 . 1 1 9 ABA O O -1.564 13.565 -5.993 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 14 . 2663 . 1 1 10 ABA C C -1.857 15.077 -3.562 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 14 . 2664 . 1 1 10 ABA CA C -2.345 13.650 -3.336 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 14 . 2665 . 1 1 10 ABA H H -0.972 12.039 -3.343 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 14 . 2666 . 1 1 10 ABA N N -1.392 12.713 -3.918 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 14 . 2667 . 1 1 10 ABA O O -2.564 15.922 -4.112 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 14 . 2668 . 1 1 11 HYP C C -0.014 17.166 -4.718 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 14 . 2669 . 1 1 11 HYP CA C -0.008 16.680 -3.273 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 14 . 2670 . 1 1 11 HYP CB C 1.428 16.463 -2.788 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 14 . 2671 . 1 1 11 HYP CD C 0.281 14.397 -2.464 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 14 . 2672 . 1 1 11 HYP CG C 1.356 15.255 -1.920 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 14 . 2673 . 1 1 11 HYP HA H -0.495 17.412 -2.646 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 14 . 2674 . 1 1 11 HYP HB2 H 2.077 16.302 -3.638 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 14 . 2675 . 1 1 11 HYP HB3 H 1.759 17.328 -2.234 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 14 . 2676 . 1 1 11 HYP HD1 H 0.814 16.067 -0.205 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 14 . 2677 . 1 1 11 HYP HD22 H 0.550 13.592 -3.133 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 14 . 2678 . 1 1 11 HYP HD23 H -0.169 14.007 -1.564 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 14 . 2679 . 1 1 11 HYP HG H 2.092 14.536 -2.248 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 14 . 2680 . 1 1 11 HYP N N -0.618 15.355 -3.129 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 14 . 2681 . 1 1 11 HYP O O 0.151 18.357 -4.982 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 14 . 2682 . 1 1 11 HYP OD1 O 1.578 15.595 -0.545 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 14 . 2683 . 1 1 12 GLN C C -1.643 16.948 -7.512 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 14 . 2684 . 1 1 12 GLN CA C -0.233 16.574 -7.068 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 14 . 2685 . 1 1 12 GLN CB C 0.282 15.399 -7.902 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 14 . 2686 . 1 1 12 GLN CD C 2.463 16.391 -8.703 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 14 . 2687 . 1 1 12 GLN CG C 1.797 15.281 -7.915 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 14 . 2688 . 1 1 12 GLN H H -0.331 15.305 -5.377 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 14 . 2689 . 1 1 12 GLN HA H 0.416 17.423 -7.220 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 14 . 2690 . 1 1 12 GLN HB2 H -0.126 14.483 -7.503 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 14 . 2691 . 1 1 12 GLN HB3 H -0.056 15.521 -8.921 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 14 . 2692 . 1 1 12 GLN HE21 H 2.695 17.463 -7.045 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 14 . 2693 . 1 1 12 GLN HE22 H 3.288 18.188 -8.496 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 14 . 2694 . 1 1 12 GLN HG2 H 2.157 15.317 -6.898 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 14 . 2695 . 1 1 12 GLN HG3 H 2.068 14.333 -8.358 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 14 . 2696 . 1 1 12 GLN N N -0.206 16.238 -5.650 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 14 . 2697 . 1 1 12 GLN NE2 N 2.854 17.456 -8.012 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 14 . 2698 . 1 1 12 GLN O O -1.833 17.550 -8.568 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 14 . 2699 . 1 1 12 GLN OE1 O 2.624 16.295 -9.920 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 14 . 2700 . 1 1 13 . C C -4.215 18.395 -7.088 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 14 . 2701 . 1 1 13 . CA C -4.023 16.884 -7.007 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 14 . 2702 . 1 1 13 . CB1 C -4.393 16.252 -8.345 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 14 . 2703 . 1 1 13 . CB2 C -4.919 16.316 -5.911 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 14 . 2704 . 1 1 13 . CG1 C -3.620 14.989 -8.657 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 14 . 2705 . 1 1 13 . H H -2.415 16.109 -5.870 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 14 . 2706 . 1 1 13 . HB11 H -4.211 16.963 -9.137 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 14 . 2707 . 1 1 13 . HB12 H -5.446 16.012 -8.347 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 14 . 2708 . 1 1 13 . HB21 H -5.212 17.108 -5.239 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 14 . 2709 . 1 1 13 . HB22 H -4.380 15.558 -5.362 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 14 . 2710 . 1 1 13 . HB23 H -5.800 15.879 -6.358 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 14 . 2711 . 1 1 13 . HG11 H -2.648 15.250 -9.047 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 14 . 2712 . 1 1 13 . HG12 H -4.160 14.410 -9.391 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 14 . 2713 . 1 1 13 . HG13 H -3.502 14.408 -7.755 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 14 . 2714 . 1 1 13 . N N -2.630 16.586 -6.698 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 14 . 2715 . 1 1 13 . O O -4.764 18.925 -8.054 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 14 . 2716 . 1 1 14 HYP C C -2.739 21.268 -6.739 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 14 . 2717 . 1 1 14 HYP CA C -3.860 20.567 -5.980 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 14 . 2718 . 1 1 14 HYP CB C -3.755 20.859 -4.481 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 14 . 2719 . 1 1 14 HYP CD C -3.086 18.541 -4.864 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 14 . 2720 . 1 1 14 HYP CG C -3.033 19.685 -3.915 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 14 . 2721 . 1 1 14 HYP HA H -4.814 20.912 -6.350 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 14 . 2722 . 1 1 14 HYP HB2 H -3.203 21.775 -4.328 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 14 . 2723 . 1 1 14 HYP HB3 H -4.745 20.954 -4.059 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 14 . 2724 . 1 1 14 HYP HD1 H -2.835 20.230 -2.029 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 14 . 2725 . 1 1 14 HYP HD22 H -2.107 18.160 -5.116 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 14 . 2726 . 1 1 14 HYP HD23 H -3.691 17.766 -4.417 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 14 . 2727 . 1 1 14 HYP HG H -1.973 19.804 -4.083 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 14 . 2728 . 1 1 14 HYP N N -3.752 19.107 -6.050 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 14 . 2729 . 1 1 14 HYP O O -2.721 22.494 -6.846 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 14 . 2730 . 1 1 14 HYP OD1 O -3.299 19.543 -2.514 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 14 . 2731 . 1 1 15 ABA C C -1.201 21.894 -9.155 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 14 . 2732 . 1 1 15 ABA CA C -0.679 21.029 -8.013 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 14 . 2733 . 1 1 15 ABA H H -1.873 19.512 -7.144 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 14 . 2734 . 1 1 15 ABA N N -1.804 20.482 -7.264 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 14 . 2735 . 1 1 15 ABA O O -0.869 23.073 -9.275 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 14 . 2736 . 1 1 16 PRO C C -3.170 23.369 -10.790 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 14 . 2737 . 1 1 16 PRO CA C -2.626 21.994 -11.163 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 14 . 2738 . 1 1 16 PRO CB C -3.765 21.068 -11.597 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 14 . 2739 . 1 1 16 PRO CD C -2.479 19.893 -9.933 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 14 . 2740 . 1 1 16 PRO CG C -3.355 19.716 -11.124 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 14 . 2741 . 1 1 16 PRO HA H -1.916 22.097 -11.970 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 14 . 2742 . 1 1 16 PRO HB2 H -4.688 21.386 -11.133 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 14 . 2743 . 1 1 16 PRO HB3 H -3.867 21.096 -12.671 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 14 . 2744 . 1 1 16 PRO HD2 H -2.993 19.704 -9.003 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 14 . 2745 . 1 1 16 PRO HD3 H -1.642 19.220 -10.047 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 14 . 2746 . 1 1 16 PRO HG2 H -4.227 19.144 -10.845 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 14 . 2747 . 1 1 16 PRO HG3 H -2.803 19.207 -11.901 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 14 . 2748 . 1 1 16 PRO N N -2.039 21.296 -10.015 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 14 . 2749 . 1 1 16 PRO O O -3.162 24.293 -11.603 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 14 . 2750 . 1 1 17 PHL C C -3.104 25.617 -8.433 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 14 . 2751 . 1 1 17 PHL CA C -4.192 24.759 -9.073 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 14 . 2752 . 1 1 17 PHL CB C -5.313 24.501 -8.065 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 14 . 2753 . 1 1 17 PHL CD1 C -6.837 22.567 -8.551 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 14 . 2754 . 1 1 17 PHL CD2 C -7.431 24.718 -9.392 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 14 . 2755 . 1 1 17 PHL CE1 C -7.976 22.027 -9.118 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 14 . 2756 . 1 1 17 PHL CE2 C -8.572 24.183 -9.961 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 14 . 2757 . 1 1 17 PHL CG C -6.552 23.917 -8.682 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 14 . 2758 . 1 1 17 PHL CZ C -8.844 22.836 -9.824 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 14 . 2759 . 1 1 17 PHL H H -3.623 22.724 -8.952 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 14 . 2760 . 1 1 17 PHL HA H -4.598 25.288 -9.922 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 14 . 2761 . 1 1 17 PHL HB2 H -4.960 23.810 -7.314 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 14 . 2762 . 1 1 17 PHL HB3 H -5.584 25.433 -7.592 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 14 . 2763 . 1 1 17 PHL HC1 H -3.056 25.400 -7.376 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 14 . 2764 . 1 1 17 PHL HC2 H -2.155 25.390 -8.894 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 14 . 2765 . 1 1 17 PHL HD1 H -6.158 21.933 -7.999 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 14 . 2766 . 1 1 17 PHL HD2 H -7.220 25.771 -9.501 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 14 . 2767 . 1 1 17 PHL HE1 H -8.185 20.973 -9.009 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 14 . 2768 . 1 1 17 PHL HE2 H -9.249 24.817 -10.513 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 14 . 2769 . 1 1 17 PHL HO H -4.168 27.247 -8.110 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 14 . 2770 . 1 1 17 PHL HZ H -9.735 22.416 -10.267 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 14 . 2771 . 1 1 17 PHL N N -3.643 23.497 -9.554 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 14 . 2772 . 1 1 17 PHL O O -3.380 27.012 -8.606 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 15 . 2773 . 1 1 1 ACE C C 1.702 0.899 -2.096 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 15 . 2774 . 1 1 1 ACE CH3 C 2.289 -0.031 -1.053 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 15 . 2775 . 1 1 1 ACE H1 H 2.335 -1.034 -1.449 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 15 . 2776 . 1 1 1 ACE H2 H 1.668 -0.020 -0.170 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 15 . 2777 . 1 1 1 ACE H3 H 3.285 0.300 -0.796 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 15 . 2778 . 1 1 1 ACE O O 1.942 2.106 -2.068 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 15 . 2779 . 1 1 2 PHE C C -0.690 2.121 -3.502 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 15 . 2780 . 1 1 2 PHE CA C 0.310 1.123 -4.080 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 15 . 2781 . 1 1 2 PHE CB C -0.392 0.204 -5.083 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 15 . 2782 . 1 1 2 PHE CD1 C 0.309 1.199 -7.277 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 15 . 2783 . 1 1 2 PHE CD2 C -2.013 1.173 -6.735 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 15 . 2784 . 1 1 2 PHE CE1 C 0.024 1.814 -8.482 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 15 . 2785 . 1 1 2 PHE CE2 C -2.304 1.787 -7.938 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 15 . 2786 . 1 1 2 PHE CG C -0.705 0.872 -6.391 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 15 . 2787 . 1 1 2 PHE CZ C -1.284 2.109 -8.813 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 15 . 2788 . 1 1 2 PHE H H 0.777 -0.631 -2.991 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 15 . 2789 . 1 1 2 PHE HA H 1.090 1.667 -4.589 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 15 . 2790 . 1 1 2 PHE HB2 H 0.243 -0.645 -5.288 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 15 . 2791 . 1 1 2 PHE HB3 H -1.321 -0.141 -4.654 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 15 . 2792 . 1 1 2 PHE HD1 H 1.333 0.969 -7.019 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 15 . 2793 . 1 1 2 PHE HD2 H -2.812 0.923 -6.052 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 15 . 2794 . 1 1 2 PHE HE1 H 0.825 2.064 -9.163 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 15 . 2795 . 1 1 2 PHE HE2 H -3.327 2.017 -8.195 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 15 . 2796 . 1 1 2 PHE HZ H -1.508 2.588 -9.754 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 15 . 2797 . 1 1 2 PHE N N 0.931 0.336 -3.021 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 15 . 2798 . 1 1 2 PHE O O -0.596 3.323 -3.748 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 15 . 2799 . 1 1 3 ABA C C -1.989 3.582 -1.341 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 15 . 2800 . 1 1 3 ABA CA C -2.664 2.457 -2.119 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 15 . 2801 . 1 1 3 ABA H H -1.669 0.645 -2.573 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 15 . 2802 . 1 1 3 ABA N N -1.647 1.612 -2.732 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 15 . 2803 . 1 1 3 ABA O O -2.341 4.752 -1.492 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 15 . 2804 . 1 1 4 ABA C C 0.434 5.171 -0.629 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 15 . 2805 . 1 1 4 ABA CA C -0.294 4.198 0.292 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 15 . 2806 . 1 1 4 ABA H H -0.783 2.271 -0.434 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 15 . 2807 . 1 1 4 ABA N N -1.018 3.220 -0.510 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 15 . 2808 . 1 1 4 ABA O O 0.518 6.366 -0.345 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 15 . 2809 . 1 1 5 ABA C C 0.792 6.631 -3.144 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 15 . 2810 . 1 1 5 ABA CA C 1.680 5.475 -2.698 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 15 . 2811 . 1 1 5 ABA H H 0.859 3.693 -1.906 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 15 . 2812 . 1 1 5 ABA N N 0.959 4.652 -1.734 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 15 . 2813 . 1 1 5 ABA O O 1.279 7.719 -3.450 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 15 . 2814 . 1 1 6 . C C -1.235 8.681 -2.778 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 15 . 2815 . 1 1 6 . CA C -1.471 7.410 -3.587 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 15 . 2816 . 1 1 6 . CB1 C -1.290 7.711 -5.071 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 15 . 2817 . 1 1 6 . CB2 C -2.889 6.906 -3.340 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 15 . 2818 . 1 1 6 . CG1 C -1.222 6.474 -5.940 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 15 . 2819 . 1 1 6 . H H -0.842 5.502 -2.922 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 15 . 2820 . 1 1 6 . HB11 H -0.378 8.273 -5.212 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 15 . 2821 . 1 1 6 . HB12 H -2.113 8.320 -5.414 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 15 . 2822 . 1 1 6 . HB21 H -3.055 6.804 -2.278 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 15 . 2823 . 1 1 6 . HB22 H -3.019 5.947 -3.819 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 15 . 2824 . 1 1 6 . HB23 H -3.598 7.612 -3.748 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 15 . 2825 . 1 1 6 . HG11 H -0.228 6.054 -5.891 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 15 . 2826 . 1 1 6 . HG12 H -1.451 6.739 -6.961 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 15 . 2827 . 1 1 6 . HG13 H -1.938 5.747 -5.587 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 15 . 2828 . 1 1 6 . N N -0.514 6.389 -3.178 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 15 . 2829 . 1 1 6 . O O -1.435 9.790 -3.271 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 15 . 2830 . 1 1 7 GLY C C 0.384 10.661 -1.312 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 15 . 2831 . 1 1 7 GLY CA C -0.550 9.653 -0.672 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 15 . 2832 . 1 1 7 GLY H H -0.664 7.603 -1.190 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 15 . 2833 . 1 1 7 GLY HA2 H -1.488 10.139 -0.448 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 15 . 2834 . 1 1 7 GLY HA3 H -0.107 9.304 0.249 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 15 . 2835 . 1 1 7 GLY N N -0.807 8.511 -1.530 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 15 . 2836 . 1 1 7 GLY O O 0.244 11.867 -1.105 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 15 . 2837 . 1 1 8 LEU C C 1.662 11.737 -3.956 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 15 . 2838 . 1 1 8 LEU CA C 2.302 11.034 -2.764 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 15 . 2839 . 1 1 8 LEU CB C 3.513 10.222 -3.225 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 15 . 2840 . 1 1 8 LEU CD1 C 5.638 9.044 -2.606 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 15 . 2841 . 1 1 8 LEU CD2 C 4.307 10.224 -0.847 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 15 . 2842 . 1 1 8 LEU CG C 4.241 9.426 -2.141 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 15 . 2843 . 1 1 8 LEU H H 1.401 9.199 -2.219 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 15 . 2844 . 1 1 8 LEU HA H 2.628 11.780 -2.054 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 15 . 2845 . 1 1 8 LEU HB2 H 3.177 9.525 -3.977 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 15 . 2846 . 1 1 8 LEU HB3 H 4.222 10.909 -3.666 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 15 . 2847 . 1 1 8 LEU HD11 H 5.568 8.282 -3.367 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 15 . 2848 . 1 1 8 LEU HD12 H 6.205 8.666 -1.768 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 15 . 2849 . 1 1 8 LEU HD13 H 6.132 9.915 -3.012 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 15 . 2850 . 1 1 8 LEU HD21 H 5.127 9.864 -0.244 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 15 . 2851 . 1 1 8 LEU HD22 H 3.381 10.106 -0.304 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 15 . 2852 . 1 1 8 LEU HD23 H 4.459 11.268 -1.076 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 15 . 2853 . 1 1 8 LEU HG H 3.694 8.514 -1.945 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 15 . 2854 . 1 1 8 LEU N N 1.340 10.168 -2.092 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 15 . 2855 . 1 1 8 LEU O O 2.097 12.815 -4.361 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 15 . 2856 . 1 1 9 ABA C C -1.081 12.728 -5.174 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 15 . 2857 . 1 1 9 ABA CA C -0.076 11.688 -5.659 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 15 . 2858 . 1 1 9 ABA H H 0.325 10.263 -4.146 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 15 . 2859 . 1 1 9 ABA N N 0.625 11.120 -4.514 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 15 . 2860 . 1 1 9 ABA O O -1.571 13.543 -5.956 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 15 . 2861 . 1 1 10 ABA C C -1.842 15.059 -3.525 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 15 . 2862 . 1 1 10 ABA CA C -2.331 13.633 -3.292 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 15 . 2863 . 1 1 10 ABA H H -0.960 12.020 -3.309 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 15 . 2864 . 1 1 10 ABA N N -1.384 12.693 -3.881 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 15 . 2865 . 1 1 10 ABA O O -2.553 15.904 -4.070 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 15 . 2866 . 1 1 11 HYP C C -0.006 17.144 -4.699 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 15 . 2867 . 1 1 11 HYP CA C 0.011 16.659 -3.253 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 15 . 2868 . 1 1 11 HYP CB C 1.451 16.442 -2.780 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 15 . 2869 . 1 1 11 HYP CD C 0.304 14.378 -2.444 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 15 . 2870 . 1 1 11 HYP CG C 1.385 15.235 -1.909 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 15 . 2871 . 1 1 11 HYP HA H -0.469 17.393 -2.623 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 15 . 2872 . 1 1 11 HYP HB2 H 2.093 16.279 -3.635 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 15 . 2873 . 1 1 11 HYP HB3 H 1.787 17.307 -2.230 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 15 . 2874 . 1 1 11 HYP HD1 H 1.025 16.279 -0.274 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 15 . 2875 . 1 1 11 HYP HD22 H 0.566 13.572 -3.113 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 15 . 2876 . 1 1 11 HYP HD23 H -0.140 13.989 -1.539 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 15 . 2877 . 1 1 11 HYP HG H 2.114 14.513 -2.245 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 15 . 2878 . 1 1 11 HYP N N -0.600 15.336 -3.102 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 15 . 2879 . 1 1 11 HYP O O 0.158 18.334 -4.966 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 15 . 2880 . 1 1 11 HYP OD1 O 1.623 15.576 -0.538 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 15 . 2881 . 1 1 12 GLN C C -1.659 16.923 -7.479 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 15 . 2882 . 1 1 12 GLN CA C -0.245 16.548 -7.046 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 15 . 2883 . 1 1 12 GLN CB C 0.261 15.372 -7.883 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 15 . 2884 . 1 1 12 GLN CD C 2.447 16.449 -8.551 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 15 . 2885 . 1 1 12 GLN CG C 1.776 15.251 -7.908 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 15 . 2886 . 1 1 12 GLN H H -0.331 15.283 -5.352 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 15 . 2887 . 1 1 12 GLN HA H 0.403 17.396 -7.205 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 15 . 2888 . 1 1 12 GLN HB2 H -0.145 14.457 -7.479 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 15 . 2889 . 1 1 12 GLN HB3 H -0.085 15.492 -8.899 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 15 . 2890 . 1 1 12 GLN HE21 H 2.667 17.311 -6.774 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 15 . 2891 . 1 1 12 GLN HE22 H 3.270 18.207 -8.123 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 15 . 2892 . 1 1 12 GLN HG2 H 2.134 15.160 -6.893 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 15 . 2893 . 1 1 12 GLN HG3 H 2.045 14.365 -8.464 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 15 . 2894 . 1 1 12 GLN N N -0.207 16.214 -5.628 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 15 . 2895 . 1 1 12 GLN NE2 N 2.833 17.421 -7.734 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 15 . 2896 . 1 1 12 GLN O O -1.857 17.524 -8.535 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 15 . 2897 . 1 1 12 GLN OE1 O 2.615 16.500 -9.770 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 15 . 2898 . 1 1 13 . C C -4.225 18.375 -7.036 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 15 . 2899 . 1 1 13 . CA C -4.035 16.864 -6.954 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 15 . 2900 . 1 1 13 . CB1 C -4.416 16.231 -8.288 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 15 . 2901 . 1 1 13 . CB2 C -4.922 16.298 -5.851 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 15 . 2902 . 1 1 13 . CG1 C -3.648 14.966 -8.604 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 15 . 2903 . 1 1 13 . H H -2.418 16.088 -5.829 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 15 . 2904 . 1 1 13 . HB11 H -4.240 16.940 -9.083 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 15 . 2905 . 1 1 13 . HB12 H -5.470 15.992 -8.281 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 15 . 2906 . 1 1 13 . HB21 H -5.808 15.862 -6.289 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 15 . 2907 . 1 1 13 . HB22 H -5.208 17.092 -5.177 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 15 . 2908 . 1 1 13 . HB23 H -4.380 15.541 -5.305 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 15 . 2909 . 1 1 13 . HG11 H -2.678 15.225 -9.004 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 15 . 2910 . 1 1 13 . HG12 H -4.194 14.386 -9.333 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 15 . 2911 . 1 1 13 . HG13 H -3.523 14.386 -7.702 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 15 . 2912 . 1 1 13 . N N -2.639 16.565 -6.656 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 15 . 2913 . 1 1 13 . O O -4.781 18.904 -7.998 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 15 . 2914 . 1 1 14 HYP C C -2.742 21.247 -6.703 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 15 . 2915 . 1 1 14 HYP CA C -3.858 20.548 -5.934 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 15 . 2916 . 1 1 14 HYP CB C -3.741 20.842 -4.436 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 15 . 2917 . 1 1 14 HYP CD C -3.078 18.523 -4.822 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 15 . 2918 . 1 1 14 HYP CG C -3.016 19.668 -3.875 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 15 . 2919 . 1 1 14 HYP HA H -4.815 20.894 -6.297 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 15 . 2920 . 1 1 14 HYP HB2 H -3.185 21.758 -4.289 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 15 . 2921 . 1 1 14 HYP HB3 H -4.727 20.940 -4.007 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 15 . 2922 . 1 1 14 HYP HD1 H -3.136 18.533 -2.266 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 15 . 2923 . 1 1 14 HYP HD22 H -2.101 18.140 -5.081 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 15 . 2924 . 1 1 14 HYP HD23 H -3.679 17.749 -4.368 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 15 . 2925 . 1 1 14 HYP HG H -1.952 19.851 -3.921 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 15 . 2926 . 1 1 14 HYP N N -3.752 19.087 -6.002 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 15 . 2927 . 1 1 14 HYP O O -2.724 22.472 -6.812 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 15 . 2928 . 1 1 14 HYP OD1 O -3.415 19.415 -2.522 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 15 . 2929 . 1 1 15 ABA C C -1.224 21.867 -9.133 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 15 . 2930 . 1 1 15 ABA CA C -0.693 21.003 -7.994 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 15 . 2931 . 1 1 15 ABA H H -1.882 19.489 -7.113 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 15 . 2932 . 1 1 15 ABA N N -1.813 20.459 -7.235 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 15 . 2933 . 1 1 15 ABA O O -0.891 23.045 -9.258 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 15 . 2934 . 1 1 16 PRO C C -3.204 23.341 -10.754 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 15 . 2935 . 1 1 16 PRO CA C -2.665 21.966 -11.130 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 15 . 2936 . 1 1 16 PRO CB C -3.808 21.040 -11.553 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 15 . 2937 . 1 1 16 PRO CD C -2.510 19.867 -9.897 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 15 . 2938 . 1 1 16 PRO CG C -3.396 19.689 -11.081 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 15 . 2939 . 1 1 16 PRO HA H -1.961 22.066 -11.943 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 15 . 2940 . 1 1 16 PRO HB2 H -4.727 21.361 -11.082 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 15 . 2941 . 1 1 16 PRO HB3 H -3.919 21.067 -12.626 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 15 . 2942 . 1 1 16 PRO HD2 H -3.018 19.680 -8.963 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 15 . 2943 . 1 1 16 PRO HD3 H -1.675 19.192 -10.017 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 15 . 2944 . 1 1 16 PRO HG2 H -4.266 19.118 -10.795 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 15 . 2945 . 1 1 16 PRO HG3 H -2.851 19.178 -11.862 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 15 . 2946 . 1 1 16 PRO N N -2.070 21.269 -9.985 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 15 . 2947 . 1 1 16 PRO O O -3.201 24.264 -11.568 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 15 . 2948 . 1 1 17 PHL C C -3.173 25.495 -8.209 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 15 . 2949 . 1 1 17 PHL CA C -4.210 24.736 -9.031 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 15 . 2950 . 1 1 17 PHL CB C -5.463 24.487 -8.187 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 15 . 2951 . 1 1 17 PHL CD1 C -7.377 23.062 -8.963 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 15 . 2952 . 1 1 17 PHL CD2 C -7.196 25.281 -9.819 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 15 . 2953 . 1 1 17 PHL CE1 C -8.520 22.862 -9.714 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 15 . 2954 . 1 1 17 PHL CE2 C -8.338 25.086 -10.572 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 15 . 2955 . 1 1 17 PHL CG C -6.704 24.273 -9.006 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 15 . 2956 . 1 1 17 PHL CZ C -9.000 23.874 -10.521 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 15 . 2957 . 1 1 17 PHL H H -3.642 22.700 -8.911 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 15 . 2958 . 1 1 17 PHL HA H -4.478 25.331 -9.890 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 15 . 2959 . 1 1 17 PHL HB2 H -5.310 23.608 -7.580 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 15 . 2960 . 1 1 17 PHL HB3 H -5.630 25.339 -7.545 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 15 . 2961 . 1 1 17 PHL HC1 H -3.324 25.284 -7.161 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 15 . 2962 . 1 1 17 PHL HC2 H -2.183 25.179 -8.505 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 15 . 2963 . 1 1 17 PHL HD1 H -7.001 22.269 -8.332 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 15 . 2964 . 1 1 17 PHL HD2 H -6.679 26.228 -9.861 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 15 . 2965 . 1 1 17 PHL HE1 H -9.034 21.913 -9.671 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 15 . 2966 . 1 1 17 PHL HE2 H -8.712 25.879 -11.202 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 15 . 2967 . 1 1 17 PHL HO H -3.034 27.122 -9.317 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 15 . 2968 . 1 1 17 PHL HZ H -9.893 23.720 -11.108 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 15 . 2969 . 1 1 17 PHL N N -3.667 23.472 -9.515 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 15 . 2970 . 1 1 17 PHL O O -3.286 26.909 -8.416 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 16 . 2971 . 1 1 1 ACE C C 1.669 0.920 -2.139 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 16 . 2972 . 1 1 1 ACE CH3 C 2.262 -0.013 -1.102 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 16 . 2973 . 1 1 1 ACE H1 H 2.799 -0.808 -1.597 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 16 . 2974 . 1 1 1 ACE H2 H 1.470 -0.433 -0.500 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 16 . 2975 . 1 1 1 ACE H3 H 2.941 0.539 -0.468 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 16 . 2976 . 1 1 1 ACE O O 1.914 2.126 -2.112 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 16 . 2977 . 1 1 2 PHE C C -0.731 2.152 -3.522 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 16 . 2978 . 1 1 2 PHE CA C 0.260 1.151 -4.110 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 16 . 2979 . 1 1 2 PHE CB C -0.454 0.236 -5.107 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 16 . 2980 . 1 1 2 PHE CD1 C -1.959 1.606 -6.575 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 16 . 2981 . 1 1 2 PHE CD2 C 0.108 0.835 -7.478 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 16 . 2982 . 1 1 2 PHE CE1 C -2.257 2.223 -7.775 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 16 . 2983 . 1 1 2 PHE CE2 C -0.183 1.450 -8.681 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 16 . 2984 . 1 1 2 PHE CG C -0.775 0.906 -6.413 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 16 . 2985 . 1 1 2 PHE CZ C -1.367 2.145 -8.829 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 16 . 2986 . 1 1 2 PHE H H 0.730 -0.606 -3.027 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 16 . 2987 . 1 1 2 PHE HA H 1.037 1.693 -4.626 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 16 . 2988 . 1 1 2 PHE HB2 H 0.175 -0.616 -5.317 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 16 . 2989 . 1 1 2 PHE HB3 H -1.381 -0.105 -4.671 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 16 . 2990 . 1 1 2 PHE HD1 H -2.655 1.669 -5.751 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 16 . 2991 . 1 1 2 PHE HD2 H 1.036 0.291 -7.362 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 16 . 2992 . 1 1 2 PHE HE1 H -3.183 2.766 -7.889 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 16 . 2993 . 1 1 2 PHE HE2 H 0.514 1.387 -9.503 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 16 . 2994 . 1 1 2 PHE HZ H -1.598 2.626 -9.769 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 16 . 2995 . 1 1 2 PHE N N 0.887 0.361 -3.058 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 16 . 2996 . 1 1 2 PHE O O -0.635 3.354 -3.768 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 16 . 2997 . 1 1 3 ABA C C -2.005 3.616 -1.348 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 16 . 2998 . 1 1 3 ABA CA C -2.691 2.495 -2.121 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 16 . 2999 . 1 1 3 ABA H H -1.707 0.680 -2.586 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 16 . 3000 . 1 1 3 ABA N N -1.682 1.646 -2.744 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 16 . 3001 . 1 1 3 ABA O O -2.354 4.787 -1.494 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 16 . 3002 . 1 1 4 ABA C C 0.431 5.196 -0.656 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 16 . 3003 . 1 1 4 ABA CA C -0.293 4.224 0.270 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 16 . 3004 . 1 1 4 ABA H H -0.796 2.300 -0.453 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 16 . 3005 . 1 1 4 ABA N N -1.028 3.249 -0.526 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 16 . 3006 . 1 1 4 ABA O O 0.522 6.389 -0.372 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 16 . 3007 . 1 1 5 ABA C C 0.770 6.657 -3.173 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 16 . 3008 . 1 1 5 ABA CA C 1.658 5.497 -2.736 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 16 . 3009 . 1 1 5 ABA H H 0.838 3.717 -1.938 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 16 . 3010 . 1 1 5 ABA N N 0.943 4.676 -1.767 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 16 . 3011 . 1 1 5 ABA O O 1.259 7.743 -3.483 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 16 . 3012 . 1 1 6 . C C -1.246 8.713 -2.787 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 16 . 3013 . 1 1 6 . CA C -1.494 7.444 -3.595 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 16 . 3014 . 1 1 6 . CB1 C -1.325 7.746 -5.080 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 16 . 3015 . 1 1 6 . CB2 C -2.911 6.945 -3.335 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 16 . 3016 . 1 1 6 . CG1 C -1.269 6.510 -5.950 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 16 . 3017 . 1 1 6 . H H -0.866 5.533 -2.937 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 16 . 3018 . 1 1 6 . HB11 H -0.412 8.304 -5.229 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 16 . 3019 . 1 1 6 . HB12 H -2.149 8.358 -5.415 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 16 . 3020 . 1 1 6 . HB21 H -3.032 5.963 -3.769 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 16 . 3021 . 1 1 6 . HB22 H -3.620 7.626 -3.783 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 16 . 3022 . 1 1 6 . HB23 H -3.085 6.893 -2.271 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 16 . 3023 . 1 1 6 . HG11 H -2.075 5.842 -5.680 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 16 . 3024 . 1 1 6 . HG12 H -0.323 6.009 -5.805 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 16 . 3025 . 1 1 6 . HG13 H -1.371 6.794 -6.987 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 16 . 3026 . 1 1 6 . N N -0.537 6.419 -3.195 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 16 . 3027 . 1 1 6 . O O -1.447 9.823 -3.277 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 16 . 3028 . 1 1 7 GLY C C 0.393 10.687 -1.335 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 16 . 3029 . 1 1 7 GLY CA C -0.538 9.681 -0.687 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 16 . 3030 . 1 1 7 GLY H H -0.664 7.632 -1.205 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 16 . 3031 . 1 1 7 GLY HA2 H -1.473 10.170 -0.453 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 16 . 3032 . 1 1 7 GLY HA3 H -0.088 9.330 0.230 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 16 . 3033 . 1 1 7 GLY N N -0.807 8.541 -1.543 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 16 . 3034 . 1 1 7 GLY O O 0.259 11.893 -1.125 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 16 . 3035 . 1 1 8 LEU C C 1.651 11.761 -3.989 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 16 . 3036 . 1 1 8 LEU CA C 2.299 11.054 -2.803 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 16 . 3037 . 1 1 8 LEU CB C 3.503 10.239 -3.277 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 16 . 3038 . 1 1 8 LEU CD1 C 5.629 9.054 -2.677 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 16 . 3039 . 1 1 8 LEU CD2 C 4.317 10.235 -0.906 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 16 . 3040 . 1 1 8 LEU CG C 4.238 9.439 -2.200 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 16 . 3041 . 1 1 8 LEU H H 1.396 9.221 -2.252 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 16 . 3042 . 1 1 8 LEU HA H 2.634 11.798 -2.096 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 16 . 3043 . 1 1 8 LEU HB2 H 3.157 9.543 -4.026 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 16 . 3044 . 1 1 8 LEU HB3 H 4.211 10.923 -3.723 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 16 . 3045 . 1 1 8 LEU HD11 H 6.126 9.925 -3.078 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 16 . 3046 . 1 1 8 LEU HD12 H 5.550 8.299 -3.446 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 16 . 3047 . 1 1 8 LEU HD13 H 6.199 8.663 -1.847 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 16 . 3048 . 1 1 8 LEU HD21 H 5.140 9.870 -0.309 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 16 . 3049 . 1 1 8 LEU HD22 H 3.395 10.119 -0.355 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 16 . 3050 . 1 1 8 LEU HD23 H 4.472 11.279 -1.134 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 16 . 3051 . 1 1 8 LEU HG H 3.690 8.528 -2.001 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 16 . 3052 . 1 1 8 LEU N N 1.340 10.191 -2.123 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 16 . 3053 . 1 1 8 LEU O O 2.085 12.837 -4.397 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 16 . 3054 . 1 1 9 ABA C C -1.101 12.762 -5.181 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 16 . 3055 . 1 1 9 ABA CA C -0.104 11.719 -5.675 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 16 . 3056 . 1 1 9 ABA H H 0.307 10.291 -4.168 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 16 . 3057 . 1 1 9 ABA N N 0.606 11.148 -4.538 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 16 . 3058 . 1 1 9 ABA O O -1.595 13.579 -5.957 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 16 . 3059 . 1 1 10 ABA C C -1.838 15.094 -3.522 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 16 . 3060 . 1 1 10 ABA CA C -2.329 13.670 -3.287 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 16 . 3061 . 1 1 10 ABA H H -0.965 12.052 -3.317 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 16 . 3062 . 1 1 10 ABA N N -1.391 12.728 -3.885 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 16 . 3063 . 1 1 10 ABA O O -2.551 15.942 -4.060 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 16 . 3064 . 1 1 11 HYP C C -0.006 17.174 -4.712 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 16 . 3065 . 1 1 11 HYP CA C 0.024 16.688 -3.267 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 16 . 3066 . 1 1 11 HYP CB C 1.466 16.465 -2.807 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 16 . 3067 . 1 1 11 HYP CD C 0.316 14.404 -2.462 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 16 . 3068 . 1 1 11 HYP CG C 1.404 15.258 -1.936 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 16 . 3069 . 1 1 11 HYP HA H -0.449 17.423 -2.631 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 16 . 3070 . 1 1 11 HYP HB2 H 2.100 16.300 -3.667 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 16 . 3071 . 1 1 11 HYP HB3 H 1.811 17.329 -2.259 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 16 . 3072 . 1 1 11 HYP HD1 H 1.324 16.502 -0.407 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 16 . 3073 . 1 1 11 HYP HD22 H 0.568 13.598 -3.135 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 16 . 3074 . 1 1 11 HYP HD23 H -0.121 14.017 -1.553 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 16 . 3075 . 1 1 11 HYP HG H 2.147 14.545 -2.262 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 16 . 3076 . 1 1 11 HYP N N -0.591 15.366 -3.111 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 16 . 3077 . 1 1 11 HYP O O 0.160 18.364 -4.979 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 16 . 3078 . 1 1 11 HYP OD1 O 1.619 15.602 -0.562 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 16 . 3079 . 1 1 12 GLN C C -1.685 16.962 -7.476 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 16 . 3080 . 1 1 12 GLN CA C -0.269 16.581 -7.057 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 16 . 3081 . 1 1 12 GLN CB C 0.226 15.404 -7.899 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 16 . 3082 . 1 1 12 GLN CD C 2.415 16.514 -8.500 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 16 . 3083 . 1 1 12 GLN CG C 1.740 15.278 -7.939 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 16 . 3084 . 1 1 12 GLN H H -0.343 15.314 -5.363 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 16 . 3085 . 1 1 12 GLN HA H 0.381 17.427 -7.221 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 16 . 3086 . 1 1 12 GLN HB2 H -0.179 14.490 -7.492 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 16 . 3087 . 1 1 12 GLN HB3 H -0.129 15.527 -8.912 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 16 . 3088 . 1 1 12 GLN HE21 H 2.660 17.244 -6.667 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 16 . 3089 . 1 1 12 GLN HE22 H 3.256 18.230 -7.953 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 16 . 3090 . 1 1 12 GLN HG2 H 2.102 15.115 -6.934 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 16 . 3091 . 1 1 12 GLN HG3 H 2.002 14.431 -8.556 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 16 . 3092 . 1 1 12 GLN N N -0.218 16.246 -5.639 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 16 . 3093 . 1 1 12 GLN NE2 N 2.817 17.422 -7.618 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 16 . 3094 . 1 1 12 GLN O O -1.890 17.564 -8.530 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 16 . 3095 . 1 1 12 GLN OE1 O 2.572 16.653 -9.714 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 16 . 3096 . 1 1 13 . C C -4.241 18.421 -7.008 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 16 . 3097 . 1 1 13 . CA C -4.056 16.910 -6.930 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 16 . 3098 . 1 1 13 . CB1 C -4.452 16.279 -8.261 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 16 . 3099 . 1 1 13 . CB2 C -4.935 16.347 -5.818 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 16 . 3100 . 1 1 13 . CG1 C -3.691 15.013 -8.585 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 16 . 3101 . 1 1 13 . H H -2.432 16.127 -5.821 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 16 . 3102 . 1 1 13 . HB11 H -4.281 16.989 -9.056 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 16 . 3103 . 1 1 13 . HB12 H -5.506 16.044 -8.244 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 16 . 3104 . 1 1 13 . HB21 H -5.212 17.141 -5.141 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 16 . 3105 . 1 1 13 . HB22 H -4.390 15.587 -5.278 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 16 . 3106 . 1 1 13 . HB23 H -5.826 15.913 -6.249 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 16 . 3107 . 1 1 13 . HG11 H -4.246 14.435 -9.310 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 16 . 3108 . 1 1 13 . HG12 H -3.560 14.431 -7.685 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 16 . 3109 . 1 1 13 . HG13 H -2.724 15.268 -8.992 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 16 . 3110 . 1 1 13 . N N -2.659 16.606 -6.645 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 16 . 3111 . 1 1 13 . O O -4.805 18.954 -7.965 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 16 . 3112 . 1 1 14 HYP C C -2.745 21.288 -6.686 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 16 . 3113 . 1 1 14 HYP CA C -3.857 20.592 -5.908 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 16 . 3114 . 1 1 14 HYP CB C -3.725 20.885 -4.411 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 16 . 3115 . 1 1 14 HYP CD C -3.073 18.563 -4.804 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 16 . 3116 . 1 1 14 HYP CG C -2.999 19.708 -3.858 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 16 . 3117 . 1 1 14 HYP HA H -4.816 20.942 -6.261 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 16 . 3118 . 1 1 14 HYP HB2 H -3.165 21.798 -4.268 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 16 . 3119 . 1 1 14 HYP HB3 H -4.706 20.985 -3.972 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 16 . 3120 . 1 1 14 HYP HD1 H -3.166 19.615 -1.894 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 16 . 3121 . 1 1 14 HYP HD22 H -2.101 18.178 -5.073 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 16 . 3122 . 1 1 14 HYP HD23 H -3.674 17.791 -4.346 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 16 . 3123 . 1 1 14 HYP HG H -1.972 19.981 -3.666 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 16 . 3124 . 1 1 14 HYP N N -3.757 19.132 -5.979 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 16 . 3125 . 1 1 14 HYP O O -2.724 22.514 -6.795 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 16 . 3126 . 1 1 14 HYP OD1 O -3.618 19.240 -2.653 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 16 . 3127 . 1 1 15 ABA C C -1.248 21.905 -9.130 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 16 . 3128 . 1 1 15 ABA CA C -0.710 21.038 -7.996 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 16 . 3129 . 1 1 15 ABA H H -1.895 19.528 -7.106 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 16 . 3130 . 1 1 15 ABA N N -1.824 20.498 -7.227 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 16 . 3131 . 1 1 15 ABA O O -0.912 23.083 -9.257 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 16 . 3132 . 1 1 16 PRO C C -3.238 23.388 -10.731 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 16 . 3133 . 1 1 16 PRO CA C -2.707 22.011 -11.113 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 16 . 3134 . 1 1 16 PRO CB C -3.857 21.090 -11.526 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 16 . 3135 . 1 1 16 PRO CD C -2.548 19.910 -9.884 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 16 . 3136 . 1 1 16 PRO CG C -3.445 19.737 -11.060 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 16 . 3137 . 1 1 16 PRO HA H -2.010 22.110 -11.932 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 16 . 3138 . 1 1 16 PRO HB2 H -4.771 21.413 -11.047 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 16 . 3139 . 1 1 16 PRO HB3 H -3.978 21.118 -12.599 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 16 . 3140 . 1 1 16 PRO HD2 H -3.047 19.724 -8.945 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 16 . 3141 . 1 1 16 PRO HD3 H -1.716 19.233 -10.012 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 16 . 3142 . 1 1 16 PRO HG2 H -4.315 19.169 -10.765 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 16 . 3143 . 1 1 16 PRO HG3 H -2.910 19.225 -11.846 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 16 . 3144 . 1 1 16 PRO N N -2.103 21.311 -9.975 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 16 . 3145 . 1 1 16 PRO O O -3.239 24.312 -11.545 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 16 . 3146 . 1 1 17 PHL C C -3.193 25.515 -8.139 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 16 . 3147 . 1 1 17 PHL CA C -4.223 24.785 -8.997 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 16 . 3148 . 1 1 17 PHL CB C -5.499 24.544 -8.188 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 16 . 3149 . 1 1 17 PHL CD1 C -6.678 22.517 -9.080 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 16 . 3150 . 1 1 17 PHL CD2 C -7.551 24.667 -9.627 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 16 . 3151 . 1 1 17 PHL CE1 C -7.688 21.917 -9.808 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 16 . 3152 . 1 1 17 PHL CE2 C -8.564 24.073 -10.356 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 16 . 3153 . 1 1 17 PHL CG C -6.598 23.897 -8.981 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 16 . 3154 . 1 1 17 PHL CZ C -8.632 22.697 -10.448 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 16 . 3155 . 1 1 17 PHL H H -3.661 22.747 -8.885 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 16 . 3156 . 1 1 17 PHL HA H -4.460 25.397 -9.853 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 16 . 3157 . 1 1 17 PHL HB2 H -5.271 23.901 -7.352 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 16 . 3158 . 1 1 17 PHL HB3 H -5.867 25.490 -7.820 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 16 . 3159 . 1 1 17 PHL HC1 H -3.695 26.256 -7.536 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 16 . 3160 . 1 1 17 PHL HC2 H -2.693 24.802 -7.500 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 16 . 3161 . 1 1 17 PHL HD1 H -5.940 21.906 -8.580 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 16 . 3162 . 1 1 17 PHL HD2 H -7.499 25.744 -9.557 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 16 . 3163 . 1 1 17 PHL HE1 H -7.738 20.841 -9.878 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 16 . 3164 . 1 1 17 PHL HE2 H -9.300 24.685 -10.856 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 16 . 3165 . 1 1 17 PHL HO H -1.932 26.981 -8.529 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 16 . 3166 . 1 1 17 PHL HZ H -9.423 22.231 -11.017 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 16 . 3167 . 1 1 17 PHL N N -3.688 23.520 -9.487 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 16 . 3168 . 1 1 17 PHL O O -2.214 26.169 -8.956 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 17 . 3169 . 1 1 1 ACE C C 1.561 0.928 -2.228 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 17 . 3170 . 1 1 1 ACE CH3 C 2.153 -0.022 -1.205 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 17 . 3171 . 1 1 1 ACE H1 H 3.224 -0.064 -1.328 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 17 . 3172 . 1 1 1 ACE H2 H 1.735 -1.008 -1.344 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 17 . 3173 . 1 1 1 ACE H3 H 1.918 0.330 -0.210 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 17 . 3174 . 1 1 1 ACE O O 1.812 2.132 -2.185 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 17 . 3175 . 1 1 2 PHE C C -0.835 2.189 -3.589 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 17 . 3176 . 1 1 2 PHE CA C 0.149 1.192 -4.193 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 17 . 3177 . 1 1 2 PHE CB C -0.571 0.293 -5.200 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 17 . 3178 . 1 1 2 PHE CD1 C 0.085 1.656 -7.202 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 17 . 3179 . 1 1 2 PHE CD2 C -2.187 0.960 -7.000 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 17 . 3180 . 1 1 2 PHE CE1 C -0.214 2.293 -8.392 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 17 . 3181 . 1 1 2 PHE CE2 C -2.491 1.595 -8.189 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 17 . 3182 . 1 1 2 PHE CG C -0.898 0.984 -6.493 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 17 . 3183 . 1 1 2 PHE CZ C -1.503 2.262 -8.887 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 17 . 3184 . 1 1 2 PHE H H 0.614 -0.582 -3.134 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 17 . 3185 . 1 1 2 PHE HA H 0.929 1.737 -4.702 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 17 . 3186 . 1 1 2 PHE HB2 H 0.056 -0.556 -5.427 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 17 . 3187 . 1 1 2 PHE HB3 H -1.496 -0.054 -4.764 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 17 . 3188 . 1 1 2 PHE HD1 H 1.093 1.681 -6.817 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 17 . 3189 . 1 1 2 PHE HD2 H -2.962 0.439 -6.455 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 17 . 3190 . 1 1 2 PHE HE1 H 0.561 2.813 -8.935 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 17 . 3191 . 1 1 2 PHE HE2 H -3.500 1.568 -8.573 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 17 . 3192 . 1 1 2 PHE HZ H -1.738 2.759 -9.816 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 17 . 3193 . 1 1 2 PHE N N 0.776 0.385 -3.152 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 17 . 3194 . 1 1 2 PHE O O -0.734 3.394 -3.819 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 17 . 3195 . 1 1 3 ABA C C -2.098 3.630 -1.393 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 17 . 3196 . 1 1 3 ABA CA C -2.791 2.522 -2.179 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 17 . 3197 . 1 1 3 ABA H H -1.816 0.709 -2.670 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 17 . 3198 . 1 1 3 ABA N N -1.788 1.678 -2.816 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 17 . 3199 . 1 1 3 ABA O O -2.441 4.805 -1.522 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 17 . 3200 . 1 1 4 ABA C C 0.347 5.189 -0.685 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 17 . 3201 . 1 1 4 ABA CA C -0.379 4.209 0.230 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 17 . 3202 . 1 1 4 ABA H H -0.893 2.296 -0.518 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 17 . 3203 . 1 1 4 ABA N N -1.121 3.248 -0.578 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 17 . 3204 . 1 1 4 ABA O O 0.444 6.378 -0.384 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 17 . 3205 . 1 1 5 ABA C C 0.687 6.682 -3.184 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 17 . 3206 . 1 1 5 ABA CA C 1.571 5.512 -2.763 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 17 . 3207 . 1 1 5 ABA H H 0.744 3.725 -1.988 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 17 . 3208 . 1 1 5 ABA N N 0.854 4.681 -1.804 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 17 . 3209 . 1 1 5 ABA O O 1.180 7.770 -3.481 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 17 . 3210 . 1 1 6 . C C -1.320 8.741 -2.764 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 17 . 3211 . 1 1 6 . CA C -1.574 7.484 -3.590 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 17 . 3212 . 1 1 6 . CB1 C -1.405 7.806 -5.071 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 17 . 3213 . 1 1 6 . CB2 C -2.993 6.987 -3.336 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 17 . 3214 . 1 1 6 . CG1 C -1.356 6.582 -5.959 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 17 . 3215 . 1 1 6 . H H -0.953 5.562 -2.958 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 17 . 3216 . 1 1 6 . HB11 H -0.490 8.363 -5.213 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 17 . 3217 . 1 1 6 . HB12 H -2.227 8.426 -5.397 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 17 . 3218 . 1 1 6 . HB21 H -3.082 5.964 -3.671 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 17 . 3219 . 1 1 6 . HB22 H -3.693 7.605 -3.879 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 17 . 3220 . 1 1 6 . HB23 H -3.210 7.040 -2.280 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 17 . 3221 . 1 1 6 . HG11 H -1.978 5.806 -5.537 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 17 . 3222 . 1 1 6 . HG12 H -0.338 6.229 -6.029 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 17 . 3223 . 1 1 6 . HG13 H -1.718 6.837 -6.944 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 17 . 3224 . 1 1 6 . N N -0.621 6.450 -3.206 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 17 . 3225 . 1 1 6 . O O -1.523 9.858 -3.237 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 17 . 3226 . 1 1 7 GLY C C 0.346 10.679 -1.282 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 17 . 3227 . 1 1 7 GLY CA C -0.602 9.677 -0.653 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 17 . 3228 . 1 1 7 GLY H H -0.733 7.636 -1.202 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 17 . 3229 . 1 1 7 GLY HA2 H -1.532 10.173 -0.421 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 17 . 3230 . 1 1 7 GLY HA3 H -0.163 9.310 0.263 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 17 . 3231 . 1 1 7 GLY N N -0.876 8.550 -1.526 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 17 . 3232 . 1 1 7 GLY O O 0.235 11.883 -1.044 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 17 . 3233 . 1 1 8 LEU C C 1.620 11.771 -3.932 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 17 . 3234 . 1 1 8 LEU CA C 2.253 11.045 -2.749 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 17 . 3235 . 1 1 8 LEU CB C 3.452 10.222 -3.224 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 17 . 3236 . 1 1 8 LEU CD1 C 4.357 8.989 -1.238 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 17 . 3237 . 1 1 8 LEU CD2 C 5.921 9.860 -2.984 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 17 . 3238 . 1 1 8 LEU CG C 4.617 10.103 -2.240 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 17 . 3239 . 1 1 8 LEU H H 1.319 9.217 -2.236 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 17 . 3240 . 1 1 8 LEU HA H 2.591 11.778 -2.031 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 17 . 3241 . 1 1 8 LEU HB2 H 3.103 9.225 -3.444 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 17 . 3242 . 1 1 8 LEU HB3 H 3.828 10.678 -4.129 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 17 . 3243 . 1 1 8 LEU HD11 H 5.060 9.067 -0.423 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 17 . 3244 . 1 1 8 LEU HD12 H 4.475 8.032 -1.725 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 17 . 3245 . 1 1 8 LEU HD13 H 3.350 9.076 -0.855 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 17 . 3246 . 1 1 8 LEU HD21 H 5.722 9.297 -3.884 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 17 . 3247 . 1 1 8 LEU HD22 H 6.597 9.301 -2.353 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 17 . 3248 . 1 1 8 LEU HD23 H 6.370 10.807 -3.243 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 17 . 3249 . 1 1 8 LEU HG H 4.712 11.030 -1.691 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 17 . 3250 . 1 1 8 LEU N N 1.281 10.184 -2.085 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 17 . 3251 . 1 1 8 LEU O O 2.098 12.823 -4.355 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 17 . 3252 . 1 1 9 ABA C C -1.100 12.890 -5.091 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 17 . 3253 . 1 1 9 ABA CA C -0.160 11.797 -5.591 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 17 . 3254 . 1 1 9 ABA H H 0.207 10.365 -4.077 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 17 . 3255 . 1 1 9 ABA N N 0.540 11.203 -4.459 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 17 . 3256 . 1 1 9 ABA O O -1.565 13.724 -5.866 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 17 . 3257 . 1 1 10 ABA C C -1.704 15.265 -3.439 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 17 . 3258 . 1 1 10 ABA CA C -2.258 13.867 -3.187 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 17 . 3259 . 1 1 10 ABA H H -0.973 12.187 -3.224 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 17 . 3260 . 1 1 10 ABA N N -1.374 12.878 -3.791 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 17 . 3261 . 1 1 10 ABA O O -2.383 16.142 -3.973 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 17 . 3262 . 1 1 11 HYP C C 0.208 17.248 -4.669 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 17 . 3263 . 1 1 11 HYP CA C 0.235 16.770 -3.221 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 17 . 3264 . 1 1 11 HYP CB C 1.672 16.481 -2.780 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 17 . 3265 . 1 1 11 HYP CD C 0.430 14.480 -2.404 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 17 . 3266 . 1 1 11 HYP CG C 1.565 15.284 -1.900 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 17 . 3267 . 1 1 11 HYP HA H -0.193 17.531 -2.584 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 17 . 3268 . 1 1 11 HYP HB2 H 2.285 16.281 -3.648 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 17 . 3269 . 1 1 11 HYP HB3 H 2.066 17.332 -2.243 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 17 . 3270 . 1 1 11 HYP HD1 H 1.191 15.199 0.036 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 17 . 3271 . 1 1 11 HYP HD22 H 0.636 13.660 -3.075 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 17 . 3272 . 1 1 11 HYP HD23 H -0.012 14.119 -1.488 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 17 . 3273 . 1 1 11 HYP HG H 2.258 14.529 -2.240 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 17 . 3274 . 1 1 11 HYP N N -0.439 15.480 -3.047 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 17 . 3275 . 1 1 11 HYP O O 0.425 18.427 -4.946 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 17 . 3276 . 1 1 11 HYP OD1 O 1.836 15.623 -0.534 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 17 . 3277 . 1 1 12 GLN C C -1.517 17.100 -7.408 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 17 . 3278 . 1 1 12 GLN CA C -0.115 16.653 -7.006 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 17 . 3279 . 1 1 12 GLN CB C 0.310 15.448 -7.847 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 17 . 3280 . 1 1 12 GLN CD C 2.515 16.326 -8.715 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 17 . 3281 . 1 1 12 GLN CG C 1.816 15.250 -7.908 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 17 . 3282 . 1 1 12 GLN H H -0.224 15.402 -5.303 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 17 . 3283 . 1 1 12 GLN HA H 0.573 17.466 -7.185 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 17 . 3284 . 1 1 12 GLN HB2 H -0.132 14.557 -7.427 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 17 . 3285 . 1 1 12 GLN HB3 H -0.054 15.581 -8.855 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 17 . 3286 . 1 1 12 GLN HE21 H 3.280 17.109 -7.055 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 17 . 3287 . 1 1 12 GLN HE22 H 3.700 17.911 -8.527 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 17 . 3288 . 1 1 12 GLN HG2 H 2.210 15.264 -6.903 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 17 . 3289 . 1 1 12 GLN HG3 H 2.022 14.291 -8.360 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 17 . 3290 . 1 1 12 GLN N N -0.060 16.325 -5.587 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 17 . 3291 . 1 1 12 GLN NE2 N 3.237 17.205 -8.030 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 17 . 3292 . 1 1 12 GLN O O -1.707 17.705 -8.462 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 17 . 3293 . 1 1 12 GLN OE1 O 2.406 16.368 -9.941 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 17 . 3294 . 1 1 13 . C C -3.993 18.684 -6.910 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 17 . 3295 . 1 1 13 . CA C -3.879 17.165 -6.828 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 17 . 3296 . 1 1 13 . CB1 C -4.323 16.550 -8.151 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 17 . 3297 . 1 1 13 . CB2 C -4.769 16.648 -5.703 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 17 . 3298 . 1 1 13 . CG1 C -3.628 15.247 -8.481 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 17 . 3299 . 1 1 13 . H H -2.279 16.311 -5.737 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 17 . 3300 . 1 1 13 . HB11 H -4.129 17.247 -8.952 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 17 . 3301 . 1 1 13 . HB12 H -5.387 16.365 -8.119 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 17 . 3302 . 1 1 13 . HB21 H -5.003 17.459 -5.028 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 17 . 3303 . 1 1 13 . HB22 H -4.252 15.868 -5.164 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 17 . 3304 . 1 1 13 . HB23 H -5.684 16.253 -6.120 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 17 . 3305 . 1 1 13 . HG11 H -4.221 14.692 -9.193 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 17 . 3306 . 1 1 13 . HG12 H -3.510 14.664 -7.579 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 17 . 3307 . 1 1 13 . HG13 H -2.657 15.454 -8.905 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 17 . 3308 . 1 1 13 . N N -2.494 16.796 -6.561 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 17 . 3309 . 1 1 13 . O O -4.541 19.239 -7.863 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 17 . 3310 . 1 1 14 HYP C C -2.368 21.477 -6.627 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 17 . 3311 . 1 1 14 HYP CA C -3.494 20.837 -5.823 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 17 . 3312 . 1 1 14 HYP CB C -3.317 21.129 -4.330 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 17 . 3313 . 1 1 14 HYP CD C -2.796 18.777 -4.720 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 17 . 3314 . 1 1 14 HYP CG C -2.632 19.922 -3.787 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 17 . 3315 . 1 1 14 HYP HA H -4.443 21.231 -6.158 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 17 . 3316 . 1 1 14 HYP HB2 H -2.715 22.017 -4.203 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 17 . 3317 . 1 1 14 HYP HB3 H -4.284 21.274 -3.871 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 17 . 3318 . 1 1 14 HYP HD1 H -4.080 19.657 -2.473 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 17 . 3319 . 1 1 14 HYP HD22 H -1.850 18.338 -4.999 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 17 . 3320 . 1 1 14 HYP HD23 H -3.431 18.041 -4.248 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 17 . 3321 . 1 1 14 HYP HG H -1.568 20.103 -3.752 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 17 . 3322 . 1 1 14 HYP N N -3.465 19.373 -5.889 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 17 . 3323 . 1 1 14 HYP O O -2.293 22.700 -6.745 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 17 . 3324 . 1 1 14 HYP OD1 O -3.122 19.596 -2.481 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 17 . 3325 . 1 1 15 ABA C C -0.891 22.008 -9.104 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 17 . 3326 . 1 1 15 ABA CA C -0.371 21.127 -7.974 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 17 . 3327 . 1 1 15 ABA H H -1.606 19.678 -7.050 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 17 . 3328 . 1 1 15 ABA N N -1.493 20.642 -7.180 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 17 . 3329 . 1 1 15 ABA O O -0.512 23.171 -9.243 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 17 . 3330 . 1 1 16 PRO C C -3.417 23.181 -10.626 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 17 . 3331 . 1 1 16 PRO CA C -2.373 22.160 -11.067 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 17 . 3332 . 1 1 16 PRO CB C -3.028 21.047 -11.888 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 17 . 3333 . 1 1 16 PRO CD C -2.279 20.061 -9.829 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 17 . 3334 . 1 1 16 PRO CG C -3.315 19.967 -10.902 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 17 . 3335 . 1 1 16 PRO HA H -1.619 22.653 -11.663 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 17 . 3336 . 1 1 16 PRO HB2 H -3.935 21.418 -12.344 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 17 . 3337 . 1 1 16 PRO HB3 H -2.345 20.710 -12.654 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 17 . 3338 . 1 1 16 PRO HD2 H -2.738 19.888 -8.867 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 17 . 3339 . 1 1 16 PRO HD3 H -1.483 19.352 -10.002 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 17 . 3340 . 1 1 16 PRO HG2 H -4.296 20.111 -10.475 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 17 . 3341 . 1 1 16 PRO HG3 H -3.252 19.003 -11.385 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 17 . 3342 . 1 1 16 PRO N N -1.781 21.443 -9.934 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 17 . 3343 . 1 1 16 PRO O O -3.880 23.995 -11.425 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 17 . 3344 . 1 1 17 PHL C C -4.136 24.995 -7.786 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 17 . 3345 . 1 1 17 PHL CA C -4.773 24.052 -8.802 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 17 . 3346 . 1 1 17 PHL CB C -5.916 23.275 -8.146 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 17 . 3347 . 1 1 17 PHL CD1 C -6.907 21.858 -9.965 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 17 . 3348 . 1 1 17 PHL CD2 C -8.195 23.677 -9.117 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 17 . 3349 . 1 1 17 PHL CE1 C -7.929 21.537 -10.839 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 17 . 3350 . 1 1 17 PHL CE2 C -9.220 23.360 -9.988 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 17 . 3351 . 1 1 17 PHL CG C -7.028 22.929 -9.095 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 17 . 3352 . 1 1 17 PHL CZ C -9.086 22.290 -10.851 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 17 . 3353 . 1 1 17 PHL H H -3.379 22.460 -8.762 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 17 . 3354 . 1 1 17 PHL HA H -5.169 24.636 -9.619 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 17 . 3355 . 1 1 17 PHL HB2 H -5.528 22.352 -7.741 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 17 . 3356 . 1 1 17 PHL HB3 H -6.332 23.868 -7.346 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 17 . 3357 . 1 1 17 PHL HC1 H -4.252 24.583 -6.795 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 17 . 3358 . 1 1 17 PHL HC2 H -3.086 25.106 -8.013 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 17 . 3359 . 1 1 17 PHL HD1 H -6.001 21.268 -9.956 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 17 . 3360 . 1 1 17 PHL HD2 H -8.301 24.514 -8.443 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 17 . 3361 . 1 1 17 PHL HE1 H -7.821 20.700 -11.512 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 17 . 3362 . 1 1 17 PHL HE2 H -10.124 23.951 -9.996 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 17 . 3363 . 1 1 17 PHL HO H -4.082 26.967 -7.741 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 17 . 3364 . 1 1 17 PHL HZ H -9.886 22.041 -11.532 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 17 . 3365 . 1 1 17 PHL N N -3.783 23.132 -9.350 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 17 . 3366 . 1 1 17 PHL O O -4.755 26.287 -7.824 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 18 . 3367 . 1 1 1 ACE C C 1.630 0.929 -2.236 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 18 . 3368 . 1 1 1 ACE CH3 C 2.224 -0.020 -1.214 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 18 . 3369 . 1 1 1 ACE H1 H 1.712 0.098 -0.271 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 18 . 3370 . 1 1 1 ACE H2 H 3.273 0.201 -1.084 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 18 . 3371 . 1 1 1 ACE H3 H 2.111 -1.038 -1.560 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 18 . 3372 . 1 1 1 ACE O O 1.873 2.136 -2.188 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 18 . 3373 . 1 1 2 PHE C C -0.770 2.180 -3.600 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 18 . 3374 . 1 1 2 PHE CA C 0.222 1.191 -4.204 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 18 . 3375 . 1 1 2 PHE CB C -0.489 0.292 -5.217 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 18 . 3376 . 1 1 2 PHE CD1 C -1.842 1.912 -6.573 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 18 . 3377 . 1 1 2 PHE CD2 C -0.095 0.707 -7.660 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 18 . 3378 . 1 1 2 PHE CE1 C -2.144 2.552 -7.761 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 18 . 3379 . 1 1 2 PHE CE2 C -0.392 1.344 -8.850 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 18 . 3380 . 1 1 2 PHE CG C -0.815 0.985 -6.509 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 18 . 3381 . 1 1 2 PHE CZ C -1.419 2.267 -8.901 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 18 . 3382 . 1 1 2 PHE H H 0.695 -0.583 -3.150 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 18 . 3383 . 1 1 2 PHE HA H 1.000 1.743 -4.709 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 18 . 3384 . 1 1 2 PHE HB2 H 0.144 -0.553 -5.444 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 18 . 3385 . 1 1 2 PHE HB3 H -1.414 -0.062 -4.786 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 18 . 3386 . 1 1 2 PHE HD1 H -2.411 2.136 -5.681 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 18 . 3387 . 1 1 2 PHE HD2 H 0.708 -0.014 -7.622 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 18 . 3388 . 1 1 2 PHE HE1 H -2.948 3.273 -7.797 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 18 . 3389 . 1 1 2 PHE HE2 H 0.176 1.119 -9.740 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 18 . 3390 . 1 1 2 PHE HZ H -1.653 2.766 -9.829 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 18 . 3391 . 1 1 2 PHE N N 0.851 0.385 -3.164 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 18 . 3392 . 1 1 2 PHE O O -0.676 3.387 -3.825 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 18 . 3393 . 1 1 3 ABA C C -2.049 3.605 -1.403 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 18 . 3394 . 1 1 3 ABA CA C -2.732 2.496 -2.196 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 18 . 3395 . 1 1 3 ABA H H -1.744 0.691 -2.690 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 18 . 3396 . 1 1 3 ABA N N -1.722 1.660 -2.832 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 18 . 3397 . 1 1 3 ABA O O -2.399 4.778 -1.529 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 18 . 3398 . 1 1 4 ABA C C 0.383 5.177 -0.682 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 18 . 3399 . 1 1 4 ABA CA C -0.339 4.189 0.228 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 18 . 3400 . 1 1 4 ABA H H -0.838 2.276 -0.529 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 18 . 3401 . 1 1 4 ABA N N -1.072 3.226 -0.586 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 18 . 3402 . 1 1 4 ABA O O 0.473 6.366 -0.376 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 18 . 3403 . 1 1 5 ABA C C 0.722 6.681 -3.174 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 18 . 3404 . 1 1 5 ABA CA C 1.612 5.516 -2.755 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 18 . 3405 . 1 1 5 ABA H H 0.793 3.721 -1.989 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 18 . 3406 . 1 1 5 ABA N N 0.897 4.677 -1.801 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 18 . 3407 . 1 1 5 ABA O O 1.208 7.773 -3.466 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 18 . 3408 . 1 1 6 . C C -1.300 8.725 -2.754 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 18 . 3409 . 1 1 6 . CA C -1.543 7.470 -3.585 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 18 . 3410 . 1 1 6 . CB1 C -1.372 7.798 -5.064 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 18 . 3411 . 1 1 6 . CB2 C -2.960 6.963 -3.338 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 18 . 3412 . 1 1 6 . CG1 C -1.312 6.577 -5.956 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 18 . 3413 . 1 1 6 . H H -0.912 5.550 -2.958 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 18 . 3414 . 1 1 6 . HB11 H -0.460 8.361 -5.202 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 18 . 3415 . 1 1 6 . HB12 H -2.197 8.414 -5.391 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 18 . 3416 . 1 1 6 . HB21 H -3.064 5.969 -3.748 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 18 . 3417 . 1 1 6 . HB22 H -3.668 7.625 -3.815 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 18 . 3418 . 1 1 6 . HB23 H -3.153 6.936 -2.275 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 18 . 3419 . 1 1 6 . HG11 H -1.252 6.888 -6.989 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 18 . 3420 . 1 1 6 . HG12 H -2.202 5.982 -5.811 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 18 . 3421 . 1 1 6 . HG13 H -0.441 5.991 -5.706 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 18 . 3422 . 1 1 6 . N N -0.585 6.440 -3.201 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 18 . 3423 . 1 1 6 . O O -1.508 9.843 -3.225 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 18 . 3424 . 1 1 7 GLY C C 0.348 10.670 -1.260 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 18 . 3425 . 1 1 7 GLY CA C -0.595 9.659 -0.638 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 18 . 3426 . 1 1 7 GLY H H -0.711 7.619 -1.194 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 18 . 3427 . 1 1 7 GLY HA2 H -1.529 10.148 -0.407 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 18 . 3428 . 1 1 7 GLY HA3 H -0.156 9.292 0.278 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 18 . 3429 . 1 1 7 GLY N N -0.858 8.533 -1.515 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 18 . 3430 . 1 1 7 GLY O O 0.229 11.872 -1.019 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 18 . 3431 . 1 1 8 LEU C C 1.624 11.779 -3.902 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 18 . 3432 . 1 1 8 LEU CA C 2.258 11.053 -2.720 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 18 . 3433 . 1 1 8 LEU CB C 3.464 10.239 -3.194 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 18 . 3434 . 1 1 8 LEU CD1 C 4.370 9.006 -1.209 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 18 . 3435 . 1 1 8 LEU CD2 C 5.934 9.892 -2.948 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 18 . 3436 . 1 1 8 LEU CG C 4.626 10.124 -2.207 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 18 . 3437 . 1 1 8 LEU H H 1.334 9.217 -2.216 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 18 . 3438 . 1 1 8 LEU HA H 2.589 11.785 -1.999 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 18 . 3439 . 1 1 8 LEU HB2 H 3.121 9.241 -3.418 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 18 . 3440 . 1 1 8 LEU HB3 H 3.839 10.701 -4.096 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 18 . 3441 . 1 1 8 LEU HD11 H 3.363 9.086 -0.829 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 18 . 3442 . 1 1 8 LEU HD12 H 5.071 9.085 -0.391 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 18 . 3443 . 1 1 8 LEU HD13 H 4.496 8.051 -1.698 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 18 . 3444 . 1 1 8 LEU HD21 H 6.369 10.843 -3.216 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 18 . 3445 . 1 1 8 LEU HD22 H 5.744 9.318 -3.843 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 18 . 3446 . 1 1 8 LEU HD23 H 6.617 9.350 -2.310 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 18 . 3447 . 1 1 8 LEU HG H 4.713 11.050 -1.654 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 18 . 3448 . 1 1 8 LEU N N 1.289 10.183 -2.062 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 18 . 3449 . 1 1 8 LEU O O 2.097 12.835 -4.321 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 18 . 3450 . 1 1 9 ABA C C -1.099 12.883 -5.067 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 18 . 3451 . 1 1 9 ABA CA C -0.151 11.799 -5.567 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 18 . 3452 . 1 1 9 ABA H H 0.221 10.363 -4.057 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 18 . 3453 . 1 1 9 ABA N N 0.550 11.205 -4.435 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 18 . 3454 . 1 1 9 ABA O O -1.568 13.717 -5.841 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 18 . 3455 . 1 1 10 ABA C C -1.725 15.249 -3.409 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 18 . 3456 . 1 1 10 ABA CA C -2.271 13.846 -3.164 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 18 . 3457 . 1 1 10 ABA H H -0.974 12.174 -3.202 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 18 . 3458 . 1 1 10 ABA N N -1.378 12.865 -3.768 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 18 . 3459 . 1 1 10 ABA O O -2.408 16.123 -3.942 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 18 . 3460 . 1 1 11 HYP C C 0.178 17.248 -4.625 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 18 . 3461 . 1 1 11 HYP CA C 0.204 16.766 -3.179 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 18 . 3462 . 1 1 11 HYP CB C 1.641 16.485 -2.734 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 18 . 3463 . 1 1 11 HYP CD C 0.411 14.474 -2.370 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 18 . 3464 . 1 1 11 HYP CG C 1.539 15.284 -1.859 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 18 . 3465 . 1 1 11 HYP HA H -0.231 17.521 -2.541 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 18 . 3466 . 1 1 11 HYP HB2 H 2.258 16.292 -3.601 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 18 . 3467 . 1 1 11 HYP HB3 H 2.027 17.336 -2.193 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 18 . 3468 . 1 1 11 HYP HD1 H 1.058 15.464 0.047 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 18 . 3469 . 1 1 11 HYP HD22 H 0.624 13.657 -3.043 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 18 . 3470 . 1 1 11 HYP HD23 H -0.032 14.107 -1.456 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 18 . 3471 . 1 1 11 HYP HG H 2.219 14.525 -2.215 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 18 . 3472 . 1 1 11 HYP N N -0.463 15.471 -3.012 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 18 . 3473 . 1 1 11 HYP O O 0.388 18.430 -4.898 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 18 . 3474 . 1 1 11 HYP OD1 O 1.836 15.613 -0.496 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 18 . 3475 . 1 1 12 GLN C C -1.536 17.098 -7.371 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 18 . 3476 . 1 1 12 GLN CA C -0.133 16.660 -6.966 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 18 . 3477 . 1 1 12 GLN CB C 0.303 15.460 -7.810 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 18 . 3478 . 1 1 12 GLN CD C 2.475 16.186 -8.877 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 18 . 3479 . 1 1 12 GLN CG C 1.810 15.272 -7.866 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 18 . 3480 . 1 1 12 GLN H H -0.239 15.402 -5.267 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 18 . 3481 . 1 1 12 GLN HA H 0.550 17.477 -7.140 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 18 . 3482 . 1 1 12 GLN HB2 H -0.135 14.565 -7.394 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 18 . 3483 . 1 1 12 GLN HB3 H -0.059 15.594 -8.818 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 18 . 3484 . 1 1 12 GLN HE21 H 2.522 17.663 -7.547 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 18 . 3485 . 1 1 12 GLN HE22 H 3.186 18.029 -9.099 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 18 . 3486 . 1 1 12 GLN HG2 H 2.223 15.480 -6.890 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 18 . 3487 . 1 1 12 GLN HG3 H 2.022 14.248 -8.135 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 18 . 3488 . 1 1 12 GLN N N -0.080 16.327 -5.547 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 18 . 3489 . 1 1 12 GLN NE2 N 2.756 17.417 -8.467 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 18 . 3490 . 1 1 12 GLN O O -1.728 17.707 -8.423 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 18 . 3491 . 1 1 12 GLN OE1 O 2.733 15.790 -10.014 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 18 . 3492 . 1 1 13 . C C -4.025 18.664 -6.876 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 18 . 3493 . 1 1 13 . CA C -3.901 17.146 -6.799 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 18 . 3494 . 1 1 13 . CB1 C -4.337 16.532 -8.125 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 18 . 3495 . 1 1 13 . CB2 C -4.792 16.620 -5.678 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 18 . 3496 . 1 1 13 . CG1 C -3.632 15.235 -8.457 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 18 . 3497 . 1 1 13 . H H -2.300 16.299 -5.705 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 18 . 3498 . 1 1 13 . HB11 H -4.145 17.234 -8.923 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 18 . 3499 . 1 1 13 . HB12 H -5.399 16.341 -8.098 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 18 . 3500 . 1 1 13 . HB21 H -4.271 15.841 -5.140 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 18 . 3501 . 1 1 13 . HB22 H -5.702 16.219 -6.100 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 18 . 3502 . 1 1 13 . HB23 H -5.033 17.426 -5.001 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 18 . 3503 . 1 1 13 . HG11 H -4.219 14.679 -9.173 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 18 . 3504 . 1 1 13 . HG12 H -3.513 14.650 -7.557 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 18 . 3505 . 1 1 13 . HG13 H -2.661 15.451 -8.877 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 18 . 3506 . 1 1 13 . N N -2.515 16.785 -6.528 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 18 . 3507 . 1 1 13 . O O -4.573 19.219 -7.829 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 18 . 3508 . 1 1 14 HYP C C -2.419 21.467 -6.578 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 18 . 3509 . 1 1 14 HYP CA C -3.544 20.817 -5.779 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 18 . 3510 . 1 1 14 HYP CB C -3.374 21.104 -4.285 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 18 . 3511 . 1 1 14 HYP CD C -2.836 18.758 -4.681 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 18 . 3512 . 1 1 14 HYP CG C -2.682 19.901 -3.745 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 18 . 3513 . 1 1 14 HYP HA H -4.494 21.205 -6.116 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 18 . 3514 . 1 1 14 HYP HB2 H -2.777 21.996 -4.153 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 18 . 3515 . 1 1 14 HYP HB3 H -4.342 21.241 -3.829 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 18 . 3516 . 1 1 14 HYP HD1 H -3.013 20.600 -1.929 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 18 . 3517 . 1 1 14 HYP HD22 H -1.886 18.326 -4.959 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 18 . 3518 . 1 1 14 HYP HD23 H -3.467 18.016 -4.214 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 18 . 3519 . 1 1 14 HYP HG H -1.619 19.996 -3.911 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 18 . 3520 . 1 1 14 HYP N N -3.504 19.354 -5.850 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 18 . 3521 . 1 1 14 HYP O O -2.352 22.690 -6.692 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 18 . 3522 . 1 1 14 HYP OD1 O -2.950 19.738 -2.346 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 18 . 3523 . 1 1 15 ABA C C -0.937 22.017 -9.048 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 18 . 3524 . 1 1 15 ABA CA C -0.415 21.135 -7.919 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 18 . 3525 . 1 1 15 ABA H H -1.644 19.674 -7.004 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 18 . 3526 . 1 1 15 ABA N N -1.537 20.640 -7.130 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 18 . 3527 . 1 1 15 ABA O O -0.565 23.183 -9.181 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 18 . 3528 . 1 1 16 PRO C C -3.466 23.178 -10.574 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 18 . 3529 . 1 1 16 PRO CA C -2.414 22.166 -11.015 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 18 . 3530 . 1 1 16 PRO CB C -3.059 21.051 -11.842 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 18 . 3531 . 1 1 16 PRO CD C -2.310 20.063 -9.784 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 18 . 3532 . 1 1 16 PRO CG C -3.342 19.967 -10.861 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 18 . 3533 . 1 1 16 PRO HA H -1.661 22.666 -11.606 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 18 . 3534 . 1 1 16 PRO HB2 H -3.967 21.418 -12.300 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 18 . 3535 . 1 1 16 PRO HB3 H -2.371 20.722 -12.607 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 18 . 3536 . 1 1 16 PRO HD2 H -2.771 19.884 -8.824 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 18 . 3537 . 1 1 16 PRO HD3 H -1.509 19.360 -9.957 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 18 . 3538 . 1 1 16 PRO HG2 H -4.325 20.102 -10.437 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 18 . 3539 . 1 1 16 PRO HG3 H -3.270 19.005 -11.347 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 18 . 3540 . 1 1 16 PRO N N -1.821 21.449 -9.882 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 18 . 3541 . 1 1 16 PRO O O -3.931 23.993 -11.371 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 18 . 3542 . 1 1 17 PHL C C -4.245 24.869 -7.619 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 18 . 3543 . 1 1 17 PHL CA C -4.835 24.033 -8.752 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 18 . 3544 . 1 1 17 PHL CB C -6.048 23.251 -8.245 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 18 . 3545 . 1 1 17 PHL CD1 C -8.231 23.843 -9.331 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 18 . 3546 . 1 1 17 PHL CD2 C -6.970 22.034 -10.237 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 18 . 3547 . 1 1 17 PHL CE1 C -9.205 23.651 -10.293 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 18 . 3548 . 1 1 17 PHL CE2 C -7.940 21.837 -11.201 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 18 . 3549 . 1 1 17 PHL CG C -7.104 23.039 -9.292 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 18 . 3550 . 1 1 17 PHL CZ C -9.059 22.646 -11.229 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 18 . 3551 . 1 1 17 PHL H H -3.430 22.449 -8.712 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 18 . 3552 . 1 1 17 PHL HA H -5.149 24.694 -9.545 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 18 . 3553 . 1 1 17 PHL HB2 H -5.724 22.280 -7.901 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 18 . 3554 . 1 1 17 PHL HB3 H -6.497 23.789 -7.424 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 18 . 3555 . 1 1 17 PHL HC1 H -4.841 25.760 -7.486 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 18 . 3556 . 1 1 17 PHL HC2 H -4.251 24.288 -6.708 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 18 . 3557 . 1 1 17 PHL HD1 H -8.347 24.630 -8.599 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 18 . 3558 . 1 1 17 PHL HD2 H -6.096 21.400 -10.216 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 18 . 3559 . 1 1 17 PHL HE1 H -10.079 24.285 -10.311 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 18 . 3560 . 1 1 17 PHL HE2 H -7.824 21.050 -11.932 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 18 . 3561 . 1 1 17 PHL HO H -2.801 25.394 -8.857 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 18 . 3562 . 1 1 17 PHL HZ H -9.818 22.494 -11.982 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 18 . 3563 . 1 1 17 PHL N N -3.837 23.121 -9.299 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 18 . 3564 . 1 1 17 PHL O O -2.897 25.254 -7.912 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 19 . 3565 . 1 1 1 ACE C C 1.571 0.959 -2.268 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 19 . 3566 . 1 1 1 ACE CH3 C 2.166 0.009 -1.248 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 19 . 3567 . 1 1 1 ACE H1 H 2.818 0.555 -0.583 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 19 . 3568 . 1 1 1 ACE H2 H 2.731 -0.758 -1.756 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 19 . 3569 . 1 1 1 ACE H3 H 1.371 -0.449 -0.676 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 19 . 3570 . 1 1 1 ACE O O 1.819 2.165 -2.223 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 19 . 3571 . 1 1 2 PHE C C -0.831 2.218 -3.622 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 19 . 3572 . 1 1 2 PHE CA C 0.155 1.224 -4.230 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 19 . 3573 . 1 1 2 PHE CB C -0.565 0.326 -5.238 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 19 . 3574 . 1 1 2 PHE CD1 C 0.082 1.220 -7.492 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 19 . 3575 . 1 1 2 PHE CD2 C -2.180 1.468 -6.782 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 19 . 3576 . 1 1 2 PHE CE1 C -0.218 1.857 -8.680 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 19 . 3577 . 1 1 2 PHE CE2 C -2.487 2.106 -7.969 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 19 . 3578 . 1 1 2 PHE CG C -0.894 1.019 -6.529 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 19 . 3579 . 1 1 2 PHE CZ C -1.504 2.300 -8.920 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 19 . 3580 . 1 1 2 PHE H H 0.625 -0.550 -3.175 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 19 . 3581 . 1 1 2 PHE HA H 0.932 1.772 -4.740 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 19 . 3582 . 1 1 2 PHE HB2 H 0.063 -0.521 -5.467 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 19 . 3583 . 1 1 2 PHE HB3 H -1.489 -0.023 -4.802 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 19 . 3584 . 1 1 2 PHE HD1 H 1.089 0.873 -7.306 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 19 . 3585 . 1 1 2 PHE HD2 H -2.950 1.316 -6.038 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 19 . 3586 . 1 1 2 PHE HE1 H 0.552 2.007 -9.423 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 19 . 3587 . 1 1 2 PHE HE2 H -3.494 2.450 -8.153 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 19 . 3588 . 1 1 2 PHE HZ H -1.741 2.798 -9.848 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 19 . 3589 . 1 1 2 PHE N N 0.785 0.417 -3.192 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 19 . 3590 . 1 1 2 PHE O O -0.733 3.424 -3.850 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 19 . 3591 . 1 1 3 ABA C C -2.093 3.652 -1.422 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 19 . 3592 . 1 1 3 ABA CA C -2.785 2.544 -2.209 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 19 . 3593 . 1 1 3 ABA H H -1.807 0.734 -2.706 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 19 . 3594 . 1 1 3 ABA N N -1.781 1.703 -2.849 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 19 . 3595 . 1 1 3 ABA O O -2.440 4.826 -1.548 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 19 . 3596 . 1 1 4 ABA C C 0.349 5.215 -0.714 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 19 . 3597 . 1 1 4 ABA CA C -0.374 4.231 0.200 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 19 . 3598 . 1 1 4 ABA H H -0.884 2.319 -0.551 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 19 . 3599 . 1 1 4 ABA N N -1.114 3.270 -0.608 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 19 . 3600 . 1 1 4 ABA O O 0.444 6.403 -0.411 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 19 . 3601 . 1 1 5 ABA C C 0.682 6.713 -3.210 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 19 . 3602 . 1 1 5 ABA CA C 1.569 5.545 -2.794 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 19 . 3603 . 1 1 5 ABA H H 0.747 3.755 -2.021 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 19 . 3604 . 1 1 5 ABA N N 0.855 4.711 -1.835 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 19 . 3605 . 1 1 5 ABA O O 1.171 7.803 -3.506 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 19 . 3606 . 1 1 6 . C C -1.330 8.767 -2.783 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 19 . 3607 . 1 1 6 . CA C -1.582 7.511 -3.611 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 19 . 3608 . 1 1 6 . CB1 C -1.416 7.837 -5.092 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 19 . 3609 . 1 1 6 . CB2 C -3.000 7.010 -3.357 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 19 . 3610 . 1 1 6 . CG1 C -1.366 6.615 -5.982 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 19 . 3611 . 1 1 6 . H H -0.956 5.589 -2.985 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 19 . 3612 . 1 1 6 . HB11 H -0.503 8.396 -5.234 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 19 . 3613 . 1 1 6 . HB12 H -2.240 8.456 -5.415 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 19 . 3614 . 1 1 6 . HB21 H -3.705 7.647 -3.871 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 19 . 3615 . 1 1 6 . HB22 H -3.204 7.031 -2.296 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 19 . 3616 . 1 1 6 . HB23 H -3.095 5.999 -3.722 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 19 . 3617 . 1 1 6 . HG11 H -0.502 6.018 -5.727 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 19 . 3618 . 1 1 6 . HG12 H -1.296 6.924 -7.015 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 19 . 3619 . 1 1 6 . HG13 H -2.262 6.029 -5.842 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 19 . 3620 . 1 1 6 . N N -0.626 6.478 -3.231 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 19 . 3621 . 1 1 6 . O O -1.536 9.885 -3.254 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 19 . 3622 . 1 1 7 GLY C C 0.333 10.706 -1.300 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 19 . 3623 . 1 1 7 GLY CA C -0.610 9.700 -0.672 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 19 . 3624 . 1 1 7 GLY H H -0.737 7.660 -1.224 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 19 . 3625 . 1 1 7 GLY HA2 H -1.542 10.193 -0.437 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 19 . 3626 . 1 1 7 GLY HA3 H -0.169 9.332 0.243 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 19 . 3627 . 1 1 7 GLY N N -0.883 8.574 -1.546 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 19 . 3628 . 1 1 7 GLY O O 0.220 11.909 -1.060 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 19 . 3629 . 1 1 8 LEU C C 1.601 11.807 -3.949 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 19 . 3630 . 1 1 8 LEU CA C 2.238 11.080 -2.769 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 19 . 3631 . 1 1 8 LEU CB C 3.438 10.261 -3.248 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 19 . 3632 . 1 1 8 LEU CD1 C 4.349 9.026 -1.265 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 19 . 3633 . 1 1 8 LEU CD2 C 5.908 9.904 -3.013 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 19 . 3634 . 1 1 8 LEU CG C 4.604 10.142 -2.266 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 19 . 3635 . 1 1 8 LEU H H 1.309 9.248 -2.258 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 19 . 3636 . 1 1 8 LEU HA H 2.575 11.812 -2.051 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 19 . 3637 . 1 1 8 LEU HB2 H 3.090 9.263 -3.469 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 19 . 3638 . 1 1 8 LEU HB3 H 3.811 10.720 -4.152 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 19 . 3639 . 1 1 8 LEU HD11 H 3.344 9.111 -0.880 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 19 . 3640 . 1 1 8 LEU HD12 H 5.054 9.104 -0.451 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 19 . 3641 . 1 1 8 LEU HD13 H 4.468 8.070 -1.755 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 19 . 3642 . 1 1 8 LEU HD21 H 6.593 9.361 -2.377 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 19 . 3643 . 1 1 8 LEU HD22 H 6.346 10.853 -3.285 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 19 . 3644 . 1 1 8 LEU HD23 H 5.712 9.328 -3.905 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 19 . 3645 . 1 1 8 LEU HG H 4.698 11.068 -1.715 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 19 . 3646 . 1 1 8 LEU N N 1.269 10.215 -2.105 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 19 . 3647 . 1 1 8 LEU O O 2.076 12.861 -4.371 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 19 . 3648 . 1 1 9 ABA C C -1.123 12.920 -5.102 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 19 . 3649 . 1 1 9 ABA CA C -0.181 11.832 -5.606 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 19 . 3650 . 1 1 9 ABA H H 0.192 10.397 -4.096 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 19 . 3651 . 1 1 9 ABA N N 0.522 11.237 -4.476 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 19 . 3652 . 1 1 9 ABA O O -1.592 13.755 -5.875 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 19 . 3653 . 1 1 10 ABA C C -1.732 15.290 -3.444 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 19 . 3654 . 1 1 10 ABA CA C -2.283 13.890 -3.195 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 19 . 3655 . 1 1 10 ABA H H -0.992 12.213 -3.237 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 19 . 3656 . 1 1 10 ABA N N -1.396 12.904 -3.802 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 19 . 3657 . 1 1 10 ABA O O -2.415 16.166 -3.975 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 19 . 3658 . 1 1 11 HYP C C 0.172 17.281 -4.671 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 19 . 3659 . 1 1 11 HYP CA C 0.202 16.800 -3.224 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 19 . 3660 . 1 1 11 HYP CB C 1.641 16.514 -2.786 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 19 . 3661 . 1 1 11 HYP CD C 0.405 14.509 -2.413 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 19 . 3662 . 1 1 11 HYP CG C 1.538 15.314 -1.909 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 19 . 3663 . 1 1 11 HYP HA H -0.227 17.557 -2.585 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 19 . 3664 . 1 1 11 HYP HB2 H 2.253 16.318 -3.655 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 19 . 3665 . 1 1 11 HYP HB3 H 2.032 17.364 -2.247 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 19 . 3666 . 1 1 11 HYP HD1 H 1.712 14.870 0.006 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 19 . 3667 . 1 1 11 HYP HD22 H 0.612 13.690 -3.087 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 19 . 3668 . 1 1 11 HYP HD23 H -0.035 14.143 -1.497 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 19 . 3669 . 1 1 11 HYP HG H 2.218 14.554 -2.265 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 19 . 3670 . 1 1 11 HYP N N -0.468 15.507 -3.053 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 19 . 3671 . 1 1 11 HYP O O 0.385 18.462 -4.946 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 19 . 3672 . 1 1 11 HYP OD1 O 1.837 15.645 -0.547 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 19 . 3673 . 1 1 12 GLN C C -1.556 17.135 -7.408 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 19 . 3674 . 1 1 12 GLN CA C -0.152 16.691 -7.009 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 19 . 3675 . 1 1 12 GLN CB C 0.275 15.490 -7.854 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 19 . 3676 . 1 1 12 GLN CD C 2.495 16.472 -8.554 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 19 . 3677 . 1 1 12 GLN CG C 1.782 15.296 -7.917 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 19 . 3678 . 1 1 12 GLN H H -0.255 15.436 -5.309 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 19 . 3679 . 1 1 12 GLN HA H 0.533 17.506 -7.187 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 19 . 3680 . 1 1 12 GLN HB2 H -0.164 14.596 -7.436 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 19 . 3681 . 1 1 12 GLN HB3 H -0.091 15.624 -8.861 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 19 . 3682 . 1 1 12 GLN HE21 H 3.509 16.798 -6.875 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 19 . 3683 . 1 1 12 GLN HE22 H 3.848 17.879 -8.179 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 19 . 3684 . 1 1 12 GLN HG2 H 2.158 15.167 -6.913 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 19 . 3685 . 1 1 12 GLN HG3 H 1.993 14.409 -8.496 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 19 . 3686 . 1 1 12 GLN N N -0.094 16.360 -5.591 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 19 . 3687 . 1 1 12 GLN NE2 N 3.372 17.116 -7.793 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 19 . 3688 . 1 1 12 GLN O O -1.750 17.743 -8.460 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 19 . 3689 . 1 1 12 GLN OE1 O 2.261 16.799 -9.718 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 19 . 3690 . 1 1 13 . C C -4.036 18.710 -6.904 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 19 . 3691 . 1 1 13 . CA C -3.918 17.191 -6.825 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 19 . 3692 . 1 1 13 . CB1 C -4.362 16.578 -8.149 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 19 . 3693 . 1 1 13 . CB2 C -4.805 16.670 -5.700 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 19 . 3694 . 1 1 13 . CG1 C -3.663 15.278 -8.483 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 19 . 3695 . 1 1 13 . H H -2.314 16.339 -5.738 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 19 . 3696 . 1 1 13 . HB11 H -4.171 17.278 -8.949 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 19 . 3697 . 1 1 13 . HB12 H -5.425 16.390 -8.116 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 19 . 3698 . 1 1 13 . HB21 H -5.719 16.272 -6.117 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 19 . 3699 . 1 1 13 . HB22 H -5.040 17.477 -5.022 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 19 . 3700 . 1 1 13 . HB23 H -4.285 15.890 -5.164 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 19 . 3701 . 1 1 13 . HG11 H -4.255 14.724 -9.196 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 19 . 3702 . 1 1 13 . HG12 H -3.543 14.693 -7.583 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 19 . 3703 . 1 1 13 . HG13 H -2.693 15.489 -8.907 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 19 . 3704 . 1 1 13 . N N -2.532 16.825 -6.561 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 19 . 3705 . 1 1 13 . O O -4.587 19.266 -7.854 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 19 . 3706 . 1 1 14 HYP C C -2.419 21.507 -6.616 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 19 . 3707 . 1 1 14 HYP CA C -3.542 20.862 -5.811 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 19 . 3708 . 1 1 14 HYP CB C -3.364 21.151 -4.319 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 19 . 3709 . 1 1 14 HYP CD C -2.837 18.801 -4.714 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 19 . 3710 . 1 1 14 HYP CG C -2.674 19.945 -3.780 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 19 . 3711 . 1 1 14 HYP HA H -4.492 21.254 -6.144 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 19 . 3712 . 1 1 14 HYP HB2 H -2.764 22.041 -4.190 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 19 . 3713 . 1 1 14 HYP HB3 H -4.330 21.291 -3.857 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 19 . 3714 . 1 1 14 HYP HD1 H -3.603 20.263 -2.069 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 19 . 3715 . 1 1 14 HYP HD22 H -1.889 18.366 -4.996 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 19 . 3716 . 1 1 14 HYP HD23 H -3.469 18.063 -4.243 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 19 . 3717 . 1 1 14 HYP HG H -1.632 20.177 -3.611 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 19 . 3718 . 1 1 14 HYP N N -3.508 19.399 -5.881 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 19 . 3719 . 1 1 14 HYP O O -2.349 22.730 -6.732 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 19 . 3720 . 1 1 14 HYP OD1 O -3.285 19.503 -2.561 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 19 . 3721 . 1 1 15 ABA C C -0.947 22.049 -9.093 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 19 . 3722 . 1 1 15 ABA CA C -0.422 21.166 -7.965 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 19 . 3723 . 1 1 15 ABA H H -1.651 19.711 -7.043 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 19 . 3724 . 1 1 15 ABA N N -1.542 20.676 -7.171 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 19 . 3725 . 1 1 15 ABA O O -0.571 23.214 -9.229 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 19 . 3726 . 1 1 16 PRO C C -3.478 23.219 -10.608 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 19 . 3727 . 1 1 16 PRO CA C -2.432 22.202 -11.053 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 19 . 3728 . 1 1 16 PRO CB C -3.086 21.089 -11.876 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 19 . 3729 . 1 1 16 PRO CD C -2.330 20.100 -9.820 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 19 . 3730 . 1 1 16 PRO CG C -3.368 20.006 -10.892 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 19 . 3731 . 1 1 16 PRO HA H -1.680 22.698 -11.649 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 19 . 3732 . 1 1 16 PRO HB2 H -3.995 21.459 -12.329 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 19 . 3733 . 1 1 16 PRO HB3 H -2.404 20.756 -12.644 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 19 . 3734 . 1 1 16 PRO HD2 H -2.787 19.924 -8.858 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 19 . 3735 . 1 1 16 PRO HD3 H -1.532 19.393 -9.997 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 19 . 3736 . 1 1 16 PRO HG2 H -4.348 20.146 -10.463 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 19 . 3737 . 1 1 16 PRO HG3 H -3.303 19.044 -11.378 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 19 . 3738 . 1 1 16 PRO N N -1.837 21.484 -9.923 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 19 . 3739 . 1 1 16 PRO O O -3.942 24.036 -11.403 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 19 . 3740 . 1 1 17 PHL C C -4.194 25.041 -7.784 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 19 . 3741 . 1 1 17 PHL CA C -4.836 24.080 -8.780 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 19 . 3742 . 1 1 17 PHL CB C -5.961 23.298 -8.100 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 19 . 3743 . 1 1 17 PHL CD1 C -6.986 21.322 -9.258 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 19 . 3744 . 1 1 17 PHL CD2 C -7.814 23.496 -9.780 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 19 . 3745 . 1 1 17 PHL CE1 C -7.886 20.762 -10.145 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 19 . 3746 . 1 1 17 PHL CE2 C -8.716 22.942 -10.668 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 19 . 3747 . 1 1 17 PHL CG C -6.940 22.693 -9.065 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 19 . 3748 . 1 1 17 PHL CZ C -8.752 21.574 -10.852 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 19 . 3749 . 1 1 17 PHL H H -3.438 22.490 -8.746 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 19 . 3750 . 1 1 17 PHL HA H -5.249 24.651 -9.598 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 19 . 3751 . 1 1 17 PHL HB2 H -5.532 22.496 -7.518 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 19 . 3752 . 1 1 17 PHL HB3 H -6.506 23.962 -7.445 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 19 . 3753 . 1 1 17 PHL HC1 H -4.672 26.006 -7.862 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 19 . 3754 . 1 1 17 PHL HC2 H -4.318 24.652 -6.784 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 19 . 3755 . 1 1 17 PHL HD1 H -6.309 20.686 -8.705 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 19 . 3756 . 1 1 17 PHL HD2 H -7.787 24.567 -9.639 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 19 . 3757 . 1 1 17 PHL HE1 H -7.911 19.692 -10.286 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 19 . 3758 . 1 1 17 PHL HE2 H -9.392 23.579 -11.220 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 19 . 3759 . 1 1 17 PHL HO H -2.294 25.001 -7.252 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 19 . 3760 . 1 1 17 PHL HZ H -9.456 21.138 -11.545 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 19 . 3761 . 1 1 17 PHL N N -3.844 23.164 -9.332 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 19 . 3762 . 1 1 17 PHL O O -2.794 25.197 -8.048 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 1 . 20 . 3763 . 1 1 1 ACE C C 1.509 0.892 -2.193 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c18861_2m1f 1 . 20 . 3764 . 1 1 1 ACE CH3 C 2.083 -0.074 -1.176 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c18861_2m1f 1 . 20 . 3765 . 1 1 1 ACE H1 H 3.152 -0.146 -1.309 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c18861_2m1f 1 . 20 . 3766 . 1 1 1 ACE H2 H 1.637 -1.048 -1.312 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c18861_2m1f 1 . 20 . 3767 . 1 1 1 ACE H3 H 1.868 0.283 -0.178 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c18861_2m1f 1 . 20 . 3768 . 1 1 1 ACE O O 1.746 2.098 -2.117 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c18861_2m1f 1 . 20 . 3769 . 1 1 2 PHE C C -0.832 2.190 -3.583 . . . 1.0 . . . . . . . . . . . . A . 2 PHE C . . . . . . . . . c18861_2m1f 1 . 20 . 3770 . 1 1 2 PHE CA C 0.146 1.187 -4.187 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CA . . . . . . . . . c18861_2m1f 1 . 20 . 3771 . 1 1 2 PHE CB C -0.576 0.306 -5.210 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CB . . . . . . . . . c18861_2m1f 1 . 20 . 3772 . 1 1 2 PHE CD1 C 0.148 1.437 -7.329 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD1 . . . . . . . . . c18861_2m1f 1 . 20 . 3773 . 1 1 2 PHE CD2 C -2.187 1.248 -6.887 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CD2 . . . . . . . . . c18861_2m1f 1 . 20 . 3774 . 1 1 2 PHE CE1 C -0.127 2.087 -8.518 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE1 . . . . . . . . . c18861_2m1f 1 . 20 . 3775 . 1 1 2 PHE CE2 C -2.468 1.896 -8.075 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CE2 . . . . . . . . . c18861_2m1f 1 . 20 . 3776 . 1 1 2 PHE CG C -0.878 1.011 -6.501 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CG . . . . . . . . . c18861_2m1f 1 . 20 . 3777 . 1 1 2 PHE CZ C -1.437 2.316 -8.892 . . . 1.0 . . . . . . . . . . . . A . 2 PHE CZ . . . . . . . . . c18861_2m1f 1 . 20 . 3778 . 1 1 2 PHE H H 0.601 -0.606 -3.157 . . . 1.0 . . . . . . . . . . . . A . 2 PHE H . . . . . . . . . c18861_2m1f 1 . 20 . 3779 . 1 1 2 PHE HA H 0.936 1.727 -4.685 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HA . . . . . . . . . c18861_2m1f 1 . 20 . 3780 . 1 1 2 PHE HB2 H 0.041 -0.550 -5.436 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB2 . . . . . . . . . c18861_2m1f 1 . 20 . 3781 . 1 1 2 PHE HB3 H -1.511 -0.030 -4.787 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HB3 . . . . . . . . . c18861_2m1f 1 . 20 . 3782 . 1 1 2 PHE HD1 H 1.173 1.258 -7.039 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD1 . . . . . . . . . c18861_2m1f 1 . 20 . 3783 . 1 1 2 PHE HD2 H -2.995 0.920 -6.249 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HD2 . . . . . . . . . c18861_2m1f 1 . 20 . 3784 . 1 1 2 PHE HE1 H 0.682 2.413 -9.155 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE1 . . . . . . . . . c18861_2m1f 1 . 20 . 3785 . 1 1 2 PHE HE2 H -3.494 2.074 -8.364 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HE2 . . . . . . . . . c18861_2m1f 1 . 20 . 3786 . 1 1 2 PHE HZ H -1.654 2.823 -9.819 . . . 1.0 . . . . . . . . . . . . A . 2 PHE HZ . . . . . . . . . c18861_2m1f 1 . 20 . 3787 . 1 1 2 PHE N N 0.753 0.363 -3.149 . . . 1.0 . . . . . . . . . . . . A . 2 PHE N . . . . . . . . . c18861_2m1f 1 . 20 . 3788 . 1 1 2 PHE O O -0.721 3.395 -3.808 . . . 1.0 . . . . . . . . . . . . A . 2 PHE O . . . . . . . . . c18861_2m1f 1 . 20 . 3789 . 1 1 3 ABA C C -2.090 3.635 -1.388 . . . 1.0 . . . . . . . . . . . . A . 3 AIB C . . . . . . . . . c18861_2m1f 1 . 20 . 3790 . 1 1 3 ABA CA C -2.789 2.534 -2.178 . . . 1.0 . . . . . . . . . . . . A . 3 AIB CA . . . . . . . . . c18861_2m1f 1 . 20 . 3791 . 1 1 3 ABA H H -1.827 0.715 -2.673 . . . 1.0 . . . . . . . . . . . . A . 3 AIB H . . . . . . . . . c18861_2m1f 1 . 20 . 3792 . 1 1 3 ABA N N -1.791 1.683 -2.815 . . . 1.0 . . . . . . . . . . . . A . 3 AIB N . . . . . . . . . c18861_2m1f 1 . 20 . 3793 . 1 1 3 ABA O O -2.428 4.812 -1.511 . . . 1.0 . . . . . . . . . . . . A . 3 AIB O . . . . . . . . . c18861_2m1f 1 . 20 . 3794 . 1 1 4 ABA C C 0.362 5.182 -0.679 . . . 1.0 . . . . . . . . . . . . A . 4 AIB C . . . . . . . . . c18861_2m1f 1 . 20 . 3795 . 1 1 4 ABA CA C -0.365 4.199 0.233 . . . 1.0 . . . . . . . . . . . . A . 4 AIB CA . . . . . . . . . c18861_2m1f 1 . 20 . 3796 . 1 1 4 ABA H H -0.888 2.293 -0.522 . . . 1.0 . . . . . . . . . . . . A . 4 AIB H . . . . . . . . . c18861_2m1f 1 . 20 . 3797 . 1 1 4 ABA N N -1.112 3.245 -0.577 . . . 1.0 . . . . . . . . . . . . A . 4 AIB N . . . . . . . . . c18861_2m1f 1 . 20 . 3798 . 1 1 4 ABA O O 0.470 6.368 -0.370 . . . 1.0 . . . . . . . . . . . . A . 4 AIB O . . . . . . . . . c18861_2m1f 1 . 20 . 3799 . 1 1 5 ABA C C 0.688 6.682 -3.182 . . . 1.0 . . . . . . . . . . . . A . 5 AIB C . . . . . . . . . c18861_2m1f 1 . 20 . 3800 . 1 1 5 ABA CA C 1.574 5.513 -2.764 . . . 1.0 . . . . . . . . . . . . A . 5 AIB CA . . . . . . . . . c18861_2m1f 1 . 20 . 3801 . 1 1 5 ABA H H 0.739 3.726 -1.997 . . . 1.0 . . . . . . . . . . . . A . 5 AIB H . . . . . . . . . c18861_2m1f 1 . 20 . 3802 . 1 1 5 ABA N N 0.857 4.680 -1.806 . . . 1.0 . . . . . . . . . . . . A . 5 AIB N . . . . . . . . . c18861_2m1f 1 . 20 . 3803 . 1 1 5 ABA O O 1.179 7.771 -3.479 . . . 1.0 . . . . . . . . . . . . A . 5 AIB O . . . . . . . . . c18861_2m1f 1 . 20 . 3804 . 1 1 6 . C C -1.322 8.739 -2.758 . . . 1.0 . . . . . . . . . . . . A . 6 DIV C . . . . . . . . . c18861_2m1f 1 . 20 . 3805 . 1 1 6 . CA C -1.575 7.482 -3.585 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CA . . . . . . . . . c18861_2m1f 1 . 20 . 3806 . 1 1 6 . CB1 C -1.407 7.806 -5.066 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 20 . 3807 . 1 1 6 . CB2 C -2.993 6.983 -3.331 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 20 . 3808 . 1 1 6 . CG1 C -1.357 6.584 -5.955 . . . 1.0 . . . . . . . . . . . . A . 6 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 20 . 3809 . 1 1 6 . H H -0.951 5.560 -2.956 . . . 1.0 . . . . . . . . . . . . A . 6 DIV H . . . . . . . . . c18861_2m1f 1 . 20 . 3810 . 1 1 6 . HB11 H -0.493 8.364 -5.208 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 20 . 3811 . 1 1 6 . HB12 H -2.230 8.426 -5.391 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 20 . 3812 . 1 1 6 . HB21 H -3.679 7.501 -3.986 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 20 . 3813 . 1 1 6 . HB22 H -3.263 7.174 -2.303 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 20 . 3814 . 1 1 6 . HB23 H -3.042 5.922 -3.526 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 20 . 3815 . 1 1 6 . HG11 H -1.727 6.837 -6.938 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 20 . 3816 . 1 1 6 . HG12 H -1.972 5.804 -5.530 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 20 . 3817 . 1 1 6 . HG13 H -0.338 6.236 -6.033 . . . 1.0 . . . . . . . . . . . . A . 6 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 20 . 3818 . 1 1 6 . N N -0.620 6.449 -3.203 . . . 1.0 . . . . . . . . . . . . A . 6 DIV N . . . . . . . . . c18861_2m1f 1 . 20 . 3819 . 1 1 6 . O O -1.527 9.856 -3.230 . . . 1.0 . . . . . . . . . . . . A . 6 DIV O . . . . . . . . . c18861_2m1f 1 . 20 . 3820 . 1 1 7 GLY C C 0.343 10.678 -1.276 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c18861_2m1f 1 . 20 . 3821 . 1 1 7 GLY CA C -0.602 9.673 -0.647 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c18861_2m1f 1 . 20 . 3822 . 1 1 7 GLY H H -0.730 7.632 -1.198 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c18861_2m1f 1 . 20 . 3823 . 1 1 7 GLY HA2 H -1.533 10.167 -0.413 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c18861_2m1f 1 . 20 . 3824 . 1 1 7 GLY HA3 H -0.161 9.306 0.268 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c18861_2m1f 1 . 20 . 3825 . 1 1 7 GLY N N -0.875 8.546 -1.521 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c18861_2m1f 1 . 20 . 3826 . 1 1 7 GLY O O 0.230 11.881 -1.037 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c18861_2m1f 1 . 20 . 3827 . 1 1 8 LEU C C 1.612 11.775 -3.926 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c18861_2m1f 1 . 20 . 3828 . 1 1 8 LEU CA C 2.248 11.049 -2.745 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c18861_2m1f 1 . 20 . 3829 . 1 1 8 LEU CB C 3.447 10.229 -3.223 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c18861_2m1f 1 . 20 . 3830 . 1 1 8 LEU CD1 C 4.357 8.995 -1.239 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c18861_2m1f 1 . 20 . 3831 . 1 1 8 LEU CD2 C 5.917 9.871 -2.987 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c18861_2m1f 1 . 20 . 3832 . 1 1 8 LEU CG C 4.613 10.111 -2.240 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c18861_2m1f 1 . 20 . 3833 . 1 1 8 LEU H H 1.317 9.219 -2.233 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c18861_2m1f 1 . 20 . 3834 . 1 1 8 LEU HA H 2.585 11.781 -2.027 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c18861_2m1f 1 . 20 . 3835 . 1 1 8 LEU HB2 H 3.099 9.232 -3.443 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c18861_2m1f 1 . 20 . 3836 . 1 1 8 LEU HB3 H 3.821 10.687 -4.128 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c18861_2m1f 1 . 20 . 3837 . 1 1 8 LEU HD11 H 5.064 9.071 -0.427 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c18861_2m1f 1 . 20 . 3838 . 1 1 8 LEU HD12 H 4.472 8.039 -1.729 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c18861_2m1f 1 . 20 . 3839 . 1 1 8 LEU HD13 H 3.352 9.082 -0.853 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c18861_2m1f 1 . 20 . 3840 . 1 1 8 LEU HD21 H 6.355 10.819 -3.260 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c18861_2m1f 1 . 20 . 3841 . 1 1 8 LEU HD22 H 5.720 9.295 -3.880 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c18861_2m1f 1 . 20 . 3842 . 1 1 8 LEU HD23 H 6.601 9.327 -2.352 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c18861_2m1f 1 . 20 . 3843 . 1 1 8 LEU HG H 4.707 11.037 -1.690 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c18861_2m1f 1 . 20 . 3844 . 1 1 8 LEU N N 1.277 10.185 -2.081 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c18861_2m1f 1 . 20 . 3845 . 1 1 8 LEU O O 2.087 12.829 -4.349 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c18861_2m1f 1 . 20 . 3846 . 1 1 9 ABA C C -1.112 12.890 -5.081 . . . 1.0 . . . . . . . . . . . . A . 9 AIB C . . . . . . . . . c18861_2m1f 1 . 20 . 3847 . 1 1 9 ABA CA C -0.171 11.800 -5.583 . . . 1.0 . . . . . . . . . . . . A . 9 AIB CA . . . . . . . . . c18861_2m1f 1 . 20 . 3848 . 1 1 9 ABA H H 0.201 10.366 -4.072 . . . 1.0 . . . . . . . . . . . . A . 9 AIB H . . . . . . . . . c18861_2m1f 1 . 20 . 3849 . 1 1 9 ABA N N 0.532 11.206 -4.453 . . . 1.0 . . . . . . . . . . . . A . 9 AIB N . . . . . . . . . c18861_2m1f 1 . 20 . 3850 . 1 1 9 ABA O O -1.580 13.725 -5.854 . . . 1.0 . . . . . . . . . . . . A . 9 AIB O . . . . . . . . . c18861_2m1f 1 . 20 . 3851 . 1 1 10 ABA C C -1.719 15.262 -3.425 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c18861_2m1f 1 . 20 . 3852 . 1 1 10 ABA CA C -2.271 13.862 -3.174 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c18861_2m1f 1 . 20 . 3853 . 1 1 10 ABA H H -0.981 12.184 -3.215 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c18861_2m1f 1 . 20 . 3854 . 1 1 10 ABA N N -1.385 12.875 -3.780 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c18861_2m1f 1 . 20 . 3855 . 1 1 10 ABA O O -2.401 16.138 -3.957 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c18861_2m1f 1 . 20 . 3856 . 1 1 11 HYP C C 0.187 17.250 -4.654 . . . 1.0 . . . . . . . . . . . . A . 11 HYP C . . . . . . . . . c18861_2m1f 1 . 20 . 3857 . 1 1 11 HYP CA C 0.217 16.770 -3.207 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CA . . . . . . . . . c18861_2m1f 1 . 20 . 3858 . 1 1 11 HYP CB C 1.655 16.484 -2.767 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CB . . . . . . . . . c18861_2m1f 1 . 20 . 3859 . 1 1 11 HYP CD C 0.417 14.480 -2.393 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CD . . . . . . . . . c18861_2m1f 1 . 20 . 3860 . 1 1 11 HYP CG C 1.551 15.285 -1.889 . . . 1.0 . . . . . . . . . . . . A . 11 HYP CG . . . . . . . . . c18861_2m1f 1 . 20 . 3861 . 1 1 11 HYP HA H -0.212 17.529 -2.568 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HA . . . . . . . . . c18861_2m1f 1 . 20 . 3862 . 1 1 11 HYP HB2 H 2.267 16.286 -3.637 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 20 . 3863 . 1 1 11 HYP HB3 H 2.047 17.334 -2.230 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 20 . 3864 . 1 1 11 HYP HD1 H 1.085 16.008 -0.113 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 20 . 3865 . 1 1 11 HYP HD22 H 0.624 13.661 -3.066 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 20 . 3866 . 1 1 11 HYP HD23 H -0.023 14.116 -1.477 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 20 . 3867 . 1 1 11 HYP HG H 2.227 14.522 -2.247 . . . 1.0 . . . . . . . . . . . . A . 11 HYP HG . . . . . . . . . c18861_2m1f 1 . 20 . 3868 . 1 1 11 HYP N N -0.455 15.479 -3.034 . . . 1.0 . . . . . . . . . . . . A . 11 HYP N . . . . . . . . . c18861_2m1f 1 . 20 . 3869 . 1 1 11 HYP O O 0.402 18.430 -4.930 . . . 1.0 . . . . . . . . . . . . A . 11 HYP O . . . . . . . . . c18861_2m1f 1 . 20 . 3870 . 1 1 11 HYP OD1 O 1.856 15.616 -0.528 . . . 1.0 . . . . . . . . . . . . A . 11 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 20 . 3871 . 1 1 12 GLN C C -1.540 17.102 -7.391 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c18861_2m1f 1 . 20 . 3872 . 1 1 12 GLN CA C -0.137 16.658 -6.992 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c18861_2m1f 1 . 20 . 3873 . 1 1 12 GLN CB C 0.290 15.455 -7.835 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c18861_2m1f 1 . 20 . 3874 . 1 1 12 GLN CD C 2.481 16.285 -8.781 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c18861_2m1f 1 . 20 . 3875 . 1 1 12 GLN CG C 1.796 15.260 -7.898 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c18861_2m1f 1 . 20 . 3876 . 1 1 12 GLN H H -0.242 15.404 -5.290 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c18861_2m1f 1 . 20 . 3877 . 1 1 12 GLN HA H 0.549 17.473 -7.170 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c18861_2m1f 1 . 20 . 3878 . 1 1 12 GLN HB2 H -0.150 14.563 -7.416 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c18861_2m1f 1 . 20 . 3879 . 1 1 12 GLN HB3 H -0.077 15.589 -8.842 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c18861_2m1f 1 . 20 . 3880 . 1 1 12 GLN HE21 H 2.566 17.570 -7.266 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c18861_2m1f 1 . 20 . 3881 . 1 1 12 GLN HE22 H 3.236 18.123 -8.759 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c18861_2m1f 1 . 20 . 3882 . 1 1 12 GLN HG2 H 2.199 15.342 -6.899 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c18861_2m1f 1 . 20 . 3883 . 1 1 12 GLN HG3 H 2.002 14.275 -8.288 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c18861_2m1f 1 . 20 . 3884 . 1 1 12 GLN N N -0.080 16.328 -5.573 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c18861_2m1f 1 . 20 . 3885 . 1 1 12 GLN NE2 N 2.792 17.444 -8.212 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c18861_2m1f 1 . 20 . 3886 . 1 1 12 GLN O O -1.734 17.709 -8.444 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c18861_2m1f 1 . 20 . 3887 . 1 1 12 GLN OE1 O 2.727 16.038 -9.962 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c18861_2m1f 1 . 20 . 3888 . 1 1 13 . C C -4.020 18.680 -6.889 . . . 1.0 . . . . . . . . . . . . A . 13 DIV C . . . . . . . . . c18861_2m1f 1 . 20 . 3889 . 1 1 13 . CA C -3.902 17.162 -6.809 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CA . . . . . . . . . c18861_2m1f 1 . 20 . 3890 . 1 1 13 . CB1 C -4.347 16.547 -8.132 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB1 . . . . . . . . . c18861_2m1f 1 . 20 . 3891 . 1 1 13 . CB2 C -4.790 16.642 -5.683 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CB2 . . . . . . . . . c18861_2m1f 1 . 20 . 3892 . 1 1 13 . CG1 C -3.649 15.246 -8.464 . . . 1.0 . . . . . . . . . . . . A . 13 DIV CG1 . . . . . . . . . c18861_2m1f 1 . 20 . 3893 . 1 1 13 . H H -2.300 16.310 -5.720 . . . 1.0 . . . . . . . . . . . . A . 13 DIV H . . . . . . . . . c18861_2m1f 1 . 20 . 3894 . 1 1 13 . HB11 H -4.155 17.246 -8.932 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB11 . . . . . . . . . c18861_2m1f 1 . 20 . 3895 . 1 1 13 . HB12 H -5.410 16.360 -8.099 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB12 . . . . . . . . . c18861_2m1f 1 . 20 . 3896 . 1 1 13 . HB21 H -5.704 16.245 -6.099 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB21 . . . . . . . . . c18861_2m1f 1 . 20 . 3897 . 1 1 13 . HB22 H -5.024 17.450 -5.006 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB22 . . . . . . . . . c18861_2m1f 1 . 20 . 3898 . 1 1 13 . HB23 H -4.271 15.862 -5.146 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HB23 . . . . . . . . . c18861_2m1f 1 . 20 . 3899 . 1 1 13 . HG11 H -4.242 14.692 -9.177 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG11 . . . . . . . . . c18861_2m1f 1 . 20 . 3900 . 1 1 13 . HG12 H -3.529 14.662 -7.563 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG12 . . . . . . . . . c18861_2m1f 1 . 20 . 3901 . 1 1 13 . HG13 H -2.679 15.456 -8.889 . . . 1.0 . . . . . . . . . . . . A . 13 DIV HG13 . . . . . . . . . c18861_2m1f 1 . 20 . 3902 . 1 1 13 . N N -2.517 16.795 -6.544 . . . 1.0 . . . . . . . . . . . . A . 13 DIV N . . . . . . . . . c18861_2m1f 1 . 20 . 3903 . 1 1 13 . O O -4.570 19.235 -7.840 . . . 1.0 . . . . . . . . . . . . A . 13 DIV O . . . . . . . . . c18861_2m1f 1 . 20 . 3904 . 1 1 14 HYP C C -2.400 21.476 -6.604 . . . 1.0 . . . . . . . . . . . . A . 14 HYP C . . . . . . . . . c18861_2m1f 1 . 20 . 3905 . 1 1 14 HYP CA C -3.524 20.833 -5.799 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CA . . . . . . . . . c18861_2m1f 1 . 20 . 3906 . 1 1 14 HYP CB C -3.345 21.123 -4.306 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CB . . . . . . . . . c18861_2m1f 1 . 20 . 3907 . 1 1 14 HYP CD C -2.820 18.773 -4.699 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CD . . . . . . . . . c18861_2m1f 1 . 20 . 3908 . 1 1 14 HYP CG C -2.657 19.918 -3.766 . . . 1.0 . . . . . . . . . . . . A . 14 HYP CG . . . . . . . . . c18861_2m1f 1 . 20 . 3909 . 1 1 14 HYP HA H -4.474 21.225 -6.132 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HA . . . . . . . . . c18861_2m1f 1 . 20 . 3910 . 1 1 14 HYP HB2 H -2.745 22.013 -4.179 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB2 . . . . . . . . . c18861_2m1f 1 . 20 . 3911 . 1 1 14 HYP HB3 H -4.311 21.265 -3.845 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HB3 . . . . . . . . . c18861_2m1f 1 . 20 . 3912 . 1 1 14 HYP HD1 H -2.493 19.629 -1.821 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD1 . . . . . . . . . c18861_2m1f 1 . 20 . 3913 . 1 1 14 HYP HD22 H -1.873 18.337 -4.980 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD22 . . . . . . . . . c18861_2m1f 1 . 20 . 3914 . 1 1 14 HYP HD23 H -3.453 18.035 -4.228 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HD23 . . . . . . . . . c18861_2m1f 1 . 20 . 3915 . 1 1 14 HYP HG H -1.598 20.116 -3.691 . . . 1.0 . . . . . . . . . . . . A . 14 HYP HG . . . . . . . . . c18861_2m1f 1 . 20 . 3916 . 1 1 14 HYP N N -3.491 19.370 -5.867 . . . 1.0 . . . . . . . . . . . . A . 14 HYP N . . . . . . . . . c18861_2m1f 1 . 20 . 3917 . 1 1 14 HYP O O -2.329 22.699 -6.721 . . . 1.0 . . . . . . . . . . . . A . 14 HYP O . . . . . . . . . c18861_2m1f 1 . 20 . 3918 . 1 1 14 HYP OD1 O -3.183 19.555 -2.484 . . . 1.0 . . . . . . . . . . . . A . 14 HYP OD1 . . . . . . . . . c18861_2m1f 1 . 20 . 3919 . 1 1 15 ABA C C -0.927 22.015 -9.081 . . . 1.0 . . . . . . . . . . . . A . 15 AIB C . . . . . . . . . c18861_2m1f 1 . 20 . 3920 . 1 1 15 ABA CA C -0.404 21.132 -7.953 . . . 1.0 . . . . . . . . . . . . A . 15 AIB CA . . . . . . . . . c18861_2m1f 1 . 20 . 3921 . 1 1 15 ABA H H -1.634 19.679 -7.028 . . . 1.0 . . . . . . . . . . . . A . 15 AIB H . . . . . . . . . c18861_2m1f 1 . 20 . 3922 . 1 1 15 ABA N N -1.524 20.644 -7.158 . . . 1.0 . . . . . . . . . . . . A . 15 AIB N . . . . . . . . . c18861_2m1f 1 . 20 . 3923 . 1 1 15 ABA O O -0.550 23.179 -9.218 . . . 1.0 . . . . . . . . . . . . A . 15 AIB O . . . . . . . . . c18861_2m1f 1 . 20 . 3924 . 1 1 16 PRO C C -3.457 23.185 -10.597 . . . 1.0 . . . . . . . . . . . . A . 16 PRO C . . . . . . . . . c18861_2m1f 1 . 20 . 3925 . 1 1 16 PRO CA C -2.412 22.167 -11.041 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CA . . . . . . . . . c18861_2m1f 1 . 20 . 3926 . 1 1 16 PRO CB C -3.067 21.054 -11.863 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CB . . . . . . . . . c18861_2m1f 1 . 20 . 3927 . 1 1 16 PRO CD C -2.312 20.066 -9.807 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CD . . . . . . . . . c18861_2m1f 1 . 20 . 3928 . 1 1 16 PRO CG C -3.350 19.972 -10.878 . . . 1.0 . . . . . . . . . . . . A . 16 PRO CG . . . . . . . . . c18861_2m1f 1 . 20 . 3929 . 1 1 16 PRO HA H -1.660 22.662 -11.638 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HA . . . . . . . . . c18861_2m1f 1 . 20 . 3930 . 1 1 16 PRO HB2 H -3.976 21.424 -12.316 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB2 . . . . . . . . . c18861_2m1f 1 . 20 . 3931 . 1 1 16 PRO HB3 H -2.385 20.719 -12.631 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HB3 . . . . . . . . . c18861_2m1f 1 . 20 . 3932 . 1 1 16 PRO HD2 H -2.769 19.891 -8.844 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD2 . . . . . . . . . c18861_2m1f 1 . 20 . 3933 . 1 1 16 PRO HD3 H -1.515 19.358 -9.982 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HD3 . . . . . . . . . c18861_2m1f 1 . 20 . 3934 . 1 1 16 PRO HG2 H -4.330 20.114 -10.449 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG2 . . . . . . . . . c18861_2m1f 1 . 20 . 3935 . 1 1 16 PRO HG3 H -3.287 19.009 -11.363 . . . 1.0 . . . . . . . . . . . . A . 16 PRO HG3 . . . . . . . . . c18861_2m1f 1 . 20 . 3936 . 1 1 16 PRO N N -1.817 21.449 -9.910 . . . 1.0 . . . . . . . . . . . . A . 16 PRO N . . . . . . . . . c18861_2m1f 1 . 20 . 3937 . 1 1 16 PRO O O -3.919 24.003 -11.393 . . . 1.0 . . . . . . . . . . . . A . 16 PRO O . . . . . . . . . c18861_2m1f 1 . 20 . 3938 . 1 1 17 PHL C C -4.204 24.912 -7.670 . . . 1.0 . . . . . . . . . . . . A . 17 PHL C . . . . . . . . . c18861_2m1f 1 . 20 . 3939 . 1 1 17 PHL CA C -4.814 24.049 -8.771 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CA . . . . . . . . . c18861_2m1f 1 . 20 . 3940 . 1 1 17 PHL CB C -6.011 23.272 -8.220 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CB . . . . . . . . . c18861_2m1f 1 . 20 . 3941 . 1 1 17 PHL CD1 C -8.270 23.581 -9.269 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD1 . . . . . . . . . c18861_2m1f 1 . 20 . 3942 . 1 1 17 PHL CD2 C -6.782 21.987 -10.234 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CD2 . . . . . . . . . c18861_2m1f 1 . 20 . 3943 . 1 1 17 PHL CE1 C -9.220 23.279 -10.226 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE1 . . . . . . . . . c18861_2m1f 1 . 20 . 3944 . 1 1 17 PHL CE2 C -7.728 21.681 -11.194 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CE2 . . . . . . . . . c18861_2m1f 1 . 20 . 3945 . 1 1 17 PHL CG C -7.042 22.940 -9.262 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CG . . . . . . . . . c18861_2m1f 1 . 20 . 3946 . 1 1 17 PHL CZ C -8.949 22.327 -11.189 . . . 1.0 . . . . . . . . . . . . A . 17 PHL CZ . . . . . . . . . c18861_2m1f 1 . 20 . 3947 . 1 1 17 PHL H H -3.419 22.457 -8.735 . . . 1.0 . . . . . . . . . . . . A . 17 PHL H . . . . . . . . . c18861_2m1f 1 . 20 . 3948 . 1 1 17 PHL HA H -5.150 24.691 -9.571 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HA . . . . . . . . . c18861_2m1f 1 . 20 . 3949 . 1 1 17 PHL HB2 H -5.663 22.344 -7.793 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB2 . . . . . . . . . c18861_2m1f 1 . 20 . 3950 . 1 1 17 PHL HB3 H -6.491 23.860 -7.452 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HB3 . . . . . . . . . c18861_2m1f 1 . 20 . 3951 . 1 1 17 PHL HC1 H -4.703 25.870 -7.650 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC1 . . . . . . . . . c18861_2m1f 1 . 20 . 3952 . 1 1 17 PHL HC2 H -4.329 24.417 -6.719 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HC2 . . . . . . . . . c18861_2m1f 1 . 20 . 3953 . 1 1 17 PHL HD1 H -8.483 24.326 -8.515 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD1 . . . . . . . . . c18861_2m1f 1 . 20 . 3954 . 1 1 17 PHL HD2 H -5.828 21.481 -10.238 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HD2 . . . . . . . . . c18861_2m1f 1 . 20 . 3955 . 1 1 17 PHL HE1 H -10.174 23.786 -10.220 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE1 . . . . . . . . . c18861_2m1f 1 . 20 . 3956 . 1 1 17 PHL HE2 H -7.513 20.937 -11.946 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HE2 . . . . . . . . . c18861_2m1f 1 . 20 . 3957 . 1 1 17 PHL HO H -2.438 25.640 -7.176 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HO . . . . . . . . . c18861_2m1f 1 . 20 . 3958 . 1 1 17 PHL HZ H -9.689 22.090 -11.939 . . . 1.0 . . . . . . . . . . . . A . 17 PHL HZ . . . . . . . . . c18861_2m1f 1 . 20 . 3959 . 1 1 17 PHL N N -3.824 23.131 -9.321 . . . 1.0 . . . . . . . . . . . . A . 17 PHL N . . . . . . . . . c18861_2m1f 1 . 20 . 3960 . 1 1 17 PHL O O -2.806 25.126 -7.899 . . . 1.0 . . . . . . . . . . . . A . 17 PHL O . . . . . . . . . c18861_2m1f 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 c18861_2m1f _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 2m1f.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c18861_2m1f 1 1 2m1f.mr . . DYANA/DIANA 2 'dihedral angle' 'Not applicable' 'Not applicable' 20 c18861_2m1f 1 1 2m1f.mr . . DYANA/DIANA 3 distance NOE simple 196 c18861_2m1f 1 1 2m1f.mr . . DYANA/DIANA 4 'dihedral angle' 'Not applicable' 'Not applicable' 6 c18861_2m1f 1 1 2m1f.mr . . DYANA/DIANA 5 distance 'hydrogen bond' simple 48 c18861_2m1f 1 1 2m1f.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c18861_2m1f 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c18861_2m1f _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c18861_2m1f 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 16 16 PRO HB3 H . . . 1 1 17 17 PHL H H . . . . . . . 4.86 . . . . . A . 16 PRO HB3 . . A . 17 PHL H . . . 16 PRO HB3 . . . . . 17 PHL H . . c18861_2m1f 1 2 1 . . 1 1 17 17 PHL H H . . . 1 1 17 17 PHL HB2 H . . . . . . . 3.16 . . . . . A . 17 PHL H . . A . 17 PHL HB2 . . . 17 PHL H . . . . . 17 PHL HB2 . . c18861_2m1f 1 3 1 . . 1 1 17 17 PHL H H . . . 1 1 16 16 PRO HB2 H . . . . . . . 4.24 . . . . . A . 17 PHL H . . A . 16 PRO HB2 . . . 17 PHL H . . . . . 16 PRO HB2 . . c18861_2m1f 1 4 1 . . 1 1 17 17 PHL H H . . . 1 1 16 16 PRO HG2 H . . . . . . . 4.35 . . . . . A . 17 PHL H . . A . 16 PRO HG2 . . . 17 PHL H . . . . . 16 PRO HG2 . . c18861_2m1f 1 5 1 . . 1 1 17 17 PHL H H . . . 1 1 17 17 PHL HB3 H . . . . . . . 3.76 . . . . . A . 17 PHL H . . A . 17 PHL HB3 . . . 17 PHL H . . . . . 17 PHL HB3 . . c18861_2m1f 1 6 1 . . 1 1 17 17 PHL H H . . . 1 1 16 16 PRO HD2 H . . . . . . . 3.53 . . . . . A . 17 PHL H . . A . 16 PRO HD2 . . . 17 PHL H . . . . . 16 PRO HD2 . . c18861_2m1f 1 7 1 . . 1 1 17 17 PHL H H . . . 1 1 14 14 HYP HA H . . . . . . . 4.47 . . . . . A . 17 PHL H . . A . 14 HYP HA . . . 17 PHL H . . . . . 14 HYP HA . . c18861_2m1f 1 8 1 . . 1 1 6 6 Div H H . . . 1 1 6 6 Div HB11 H . . . . . . . 3.56 . . . . . A . 6 DIV H . . A . 6 DIV HB11 . . . 6 DIV H . . . . . 6 DIV HB11 . . c18861_2m1f 1 9 1 . . 1 1 6 6 Div H H . . . 1 1 2 2 PHE HA H . . . . . . . 4.59 . . . . . A . 6 DIV H . . A . 2 PHE HA . . . 6 DIV H . . . . . 2 PHE HA . . c18861_2m1f 1 10 1 . . 1 1 6 6 Div H H . . . 1 1 4 4 ABA H H . . . . . . . 3.29 . . . . . A . 6 DIV H . . A . 4 AIB H . . . 6 DIV H . . . . . 4 AIB QQB . . c18861_2m1f 1 11 1 . . 1 1 6 6 Div H H . . . 1 1 7 7 GLY H H . . . . . . . 3.12 . . . . . A . 6 DIV H . . A . 7 GLY H . . . 6 DIV H . . . . . 7 GLY H . . c18861_2m1f 1 12 1 OR . 1 1 6 6 Div H H . . . 1 1 7 7 GLY HA2 H . . . . . . . 4.62 . . . . . A . 6 DIV H . . A . 7 GLY HA2 . . . 6 DIV H . . . . . 7 GLY QA . . c18861_2m1f 1 12 2 OR . 1 1 6 6 Div H H . . . 1 1 7 7 GLY HA3 H . . . . . . . 4.62 . . . . . A . 6 DIV H . . A . 7 GLY HA3 . . . 6 DIV H . . . . . 7 GLY QA . . c18861_2m1f 1 13 1 . . 1 1 6 6 Div H H . . . 1 1 6 6 Div HB12 H . . . . . . . 3.85 . . . . . A . 6 DIV H . . A . 6 DIV HB12 . . . 6 DIV H . . . . . 6 DIV HB12 . . c18861_2m1f 1 14 1 . . 1 1 6 6 Div H H . . . 1 1 5 5 ABA H H . . . . . . . 2.85 . . . . . A . 6 DIV H . . A . 5 AIB H . . . 6 DIV H . . . . . 5 AIB QQB . . c18861_2m1f 1 15 1 . . 1 1 6 6 Div H H . . . 1 1 5 5 ABA H H . . . . . . . 3.11 . . . . . A . 6 DIV H . . A . 5 AIB H . . . 6 DIV H . . . . . 5 AIB H . . c18861_2m1f 1 16 1 OR . 1 1 15 15 ABA H H . . . 1 1 15 15 ABA HB2 H . . . . . . . 3.16 . . . . . A . 15 AIB H . . A . 15 AIB HB2 . . . 15 AIB H . . . . . 15 AIB QB2 . . c18861_2m1f 1 16 2 OR . 1 1 15 15 ABA H H . . . 1 1 15 15 ABA HB3 H . . . . . . . 3.16 . . . . . A . 15 AIB H . . A . 15 AIB HB3 . . . 15 AIB H . . . . . 15 AIB QB2 . . c18861_2m1f 1 17 1 . . 1 1 15 15 ABA H H . . . 1 1 12 12 GLN HA H . . . . . . . 4.34 . . . . . A . 15 AIB H . . A . 12 GLN HA . . . 15 AIB H . . . . . 12 GLN HA . . c18861_2m1f 1 18 1 . . 1 1 15 15 ABA H H . . . 1 1 16 16 PRO HD3 H . . . . . . . 3.28 . . . . . A . 15 AIB H . . A . 16 PRO HD3 . . . 15 AIB H . . . . . 16 PRO HD3 . . c18861_2m1f 1 19 1 . . 1 1 15 15 ABA H H . . . 1 1 13 13 Div HB11 H . . . . . . . 7.00 . . . . . A . 15 AIB H . . A . 13 DIV HB11 . . . 15 AIB H . . . . . 13 DIV HB11 . . c18861_2m1f 1 20 1 . . 1 1 15 15 ABA H H . . . 1 1 14 14 HYP HD23 H . . . . . . . 4.39 . . . . . A . 15 AIB H . . A . 14 HYP HD23 . . . 15 AIB H . . . . . 14 HYP HD23 . . c18861_2m1f 1 21 1 . . 1 1 16 16 PRO HD2 H . . . 1 1 15 15 ABA H H . . . . . . . 3.41 . . . . . A . 16 PRO HD2 . . A . 15 AIB H . . . 16 PRO HD2 . . . . . 15 AIB H . . c18861_2m1f 1 22 1 . . 1 1 15 15 ABA H H . . . 1 1 14 14 HYP HB2 H . . . . . . . 3.77 . . . . . A . 15 AIB H . . A . 14 HYP HB2 . . . 15 AIB H . . . . . 14 HYP HB2 . . c18861_2m1f 1 23 1 . . 1 1 15 15 ABA H H . . . 1 1 14 14 HYP HD22 H . . . . . . . 3.52 . . . . . A . 15 AIB H . . A . 14 HYP HD22 . . . 15 AIB H . . . . . 14 HYP HD22 . . c18861_2m1f 1 24 1 . . 1 1 15 15 ABA H H . . . 1 1 13 13 Div HB12 H . . . . . . . 4.29 . . . . . A . 15 AIB H . . A . 13 DIV HB12 . . . 15 AIB H . . . . . 13 DIV HB12 . . c18861_2m1f 1 25 1 OR . 1 1 13 13 Div H H . . . 1 1 10 10 ABA HB2 H . . . . . . . 2.67 . . . . . A . 13 DIV H . . A . 10 AIB HB2 . . . 13 DIV H . . . . . 10 AIB QB2 . . c18861_2m1f 1 25 2 OR . 1 1 10 10 ABA HB3 H . . . 1 1 13 13 Div H H . . . . . . . 2.67 . . . . . A . 10 AIB HB3 . . A . 13 DIV H . . . 10 AIB QB2 . . . . . 13 DIV H . . c18861_2m1f 1 26 1 . . 1 1 13 13 Div HB11 H . . . 1 1 13 13 Div H H . . . . . . . 3.90 . . . . . A . 13 DIV HB11 . . A . 13 DIV H . . . 13 DIV HB11 . . . . . 13 DIV H . . c18861_2m1f 1 27 1 . . 1 1 13 13 Div H H . . . 1 1 11 11 HYP HA H . . . . . . . 4.45 . . . . . A . 13 DIV H . . A . 11 HYP HA . . . 13 DIV H . . . . . 11 HYP HA . . c18861_2m1f 1 28 1 . . 1 1 13 13 Div H H . . . 1 1 12 12 GLN HB2 H . . . . . . . 3.67 . . . . . A . 13 DIV H . . A . 12 GLN HB2 . . . 13 DIV H . . . . . 12 GLN HB2 . . c18861_2m1f 1 29 1 . . 1 1 14 14 HYP HD23 H . . . 1 1 13 13 Div H H . . . . . . . 3.00 . . . . . A . 14 HYP HD23 . . A . 13 DIV H . . . 14 HYP HD23 . . . . . 13 DIV H . . c18861_2m1f 1 30 1 . . 1 1 14 14 HYP HD22 H . . . 1 1 13 13 Div H H . . . . . . . 3.31 . . . . . A . 14 HYP HD22 . . A . 13 DIV H . . . 14 HYP HD22 . . . . . 13 DIV H . . c18861_2m1f 1 31 1 . . 1 1 13 13 Div HB12 H . . . 1 1 13 13 Div H H . . . . . . . 3.90 . . . . . A . 13 DIV HB12 . . A . 13 DIV H . . . 13 DIV HB12 . . . . . 13 DIV H . . c18861_2m1f 1 32 1 . . 1 1 13 13 Div H H . . . 1 1 12 12 GLN H H . . . . . . . 2.62 . . . . . A . 13 DIV H . . A . 12 GLN H . . . 13 DIV H . . . . . 12 GLN H . . c18861_2m1f 1 33 1 . . 1 1 6 6 Div HB11 H . . . 1 1 7 7 GLY H H . . . . . . . 4.80 . . . . . A . 6 DIV HB11 . . A . 7 GLY H . . . 6 DIV HB11 . . . . . 7 GLY H . . c18861_2m1f 1 34 1 . . 1 1 7 7 GLY H H . . . 1 1 4 4 ABA H H . . . . . . . 3.61 . . . . . A . 7 GLY H . . A . 4 AIB H . . . 7 GLY H . . . . . 4 AIB QQB . . c18861_2m1f 1 35 1 . . 1 1 7 7 GLY H H . . . 1 1 8 8 LEU H H . . . . . . . 3.42 . . . . . A . 7 GLY H . . A . 8 LEU H . . . 7 GLY H . . . . . 8 LEU H . . c18861_2m1f 1 36 1 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA2 H . . . . . . . 2.92 . . . . . A . 7 GLY H . . A . 7 GLY HA2 . . . 7 GLY H . . . . . 7 GLY QA . . c18861_2m1f 1 36 2 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA3 H . . . . . . . 2.92 . . . . . A . 7 GLY H . . A . 7 GLY HA3 . . . 7 GLY H . . . . . 7 GLY QA . . c18861_2m1f 1 37 1 . . 1 1 7 7 GLY H H . . . 1 1 6 6 Div HB12 H . . . . . . . 5.23 . . . . . A . 7 GLY H . . A . 6 DIV HB12 . . . 7 GLY H . . . . . 6 DIV HB12 . . c18861_2m1f 1 38 1 . . 1 1 7 7 GLY H H . . . 1 1 5 5 ABA H H . . . . . . . 4.29 . . . . . A . 7 GLY H . . A . 5 AIB H . . . 7 GLY H . . . . . 5 AIB QQB . . c18861_2m1f 1 39 1 . . 1 1 9 9 ABA H H . . . 1 1 11 11 HYP HD23 H . . . . . . . 4.75 . . . . . A . 9 AIB H . . A . 11 HYP HD23 . . . 9 AIB H . . . . . 11 HYP HD23 . . c18861_2m1f 1 40 1 . . 1 1 6 6 Div HB11 H . . . 1 1 9 9 ABA H H . . . . . . . 4.07 . . . . . A . 6 DIV HB11 . . A . 9 AIB H . . . 6 DIV HB11 . . . . . 9 AIB H . . c18861_2m1f 1 41 1 . . 1 1 9 9 ABA H H . . . 1 1 8 8 LEU MD2 H . . . . . . . 4.51 . . . . . A . 9 AIB H . . A . 8 LEU MD2 . . . 9 AIB H . . . . . 8 LEU QD2 . . c18861_2m1f 1 42 1 . . 1 1 9 9 ABA H H . . . 1 1 11 11 HYP HD22 H . . . . . . . 5.69 . . . . . A . 9 AIB H . . A . 11 HYP HD22 . . . 9 AIB H . . . . . 11 HYP HD22 . . c18861_2m1f 1 43 1 . . 1 1 7 7 GLY H H . . . 1 1 9 9 ABA H H . . . . . . . 5.05 . . . . . A . 7 GLY H . . A . 9 AIB H . . . 7 GLY H . . . . . 9 AIB H . . c18861_2m1f 1 44 1 . . 1 1 9 9 ABA H H . . . 1 1 8 8 LEU MD1 H . . . . . . . 5.01 . . . . . A . 9 AIB H . . A . 8 LEU MD1 . . . 9 AIB H . . . . . 8 LEU QD1 . . c18861_2m1f 1 45 1 OR . 1 1 9 9 ABA H H . . . 1 1 7 7 GLY HA2 H . . . . . . . 4.49 . . . . . A . 9 AIB H . . A . 7 GLY HA2 . . . 9 AIB H . . . . . 7 GLY QA . . c18861_2m1f 1 45 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 9 9 ABA H H . . . . . . . 4.49 . . . . . A . 7 GLY HA3 . . A . 9 AIB H . . . 7 GLY QA . . . . . 9 AIB H . . c18861_2m1f 1 46 1 . . 1 1 6 6 Div HB12 H . . . 1 1 9 9 ABA H H . . . . . . . 5.13 . . . . . A . 6 DIV HB12 . . A . 9 AIB H . . . 6 DIV HB12 . . . . . 9 AIB H . . c18861_2m1f 1 47 1 OR . 1 1 9 9 ABA H H . . . 1 1 9 9 ABA HB2 H . . . . . . . 3.20 . . . . . A . 9 AIB H . . A . 9 AIB HB2 . . . 9 AIB H . . . . . 9 AIB QB2 . . c18861_2m1f 1 47 2 OR . 1 1 9 9 ABA H H . . . 1 1 9 9 ABA HB3 H . . . . . . . 3.20 . . . . . A . 9 AIB H . . A . 9 AIB HB3 . . . 9 AIB H . . . . . 9 AIB QB2 . . c18861_2m1f 1 48 1 . . 1 1 9 9 ABA H H . . . 1 1 8 8 LEU HA H . . . . . . . 3.29 . . . . . A . 9 AIB H . . A . 8 LEU HA . . . 9 AIB H . . . . . 8 LEU HA . . c18861_2m1f 1 49 1 . . 1 1 9 9 ABA H H . . . 1 1 10 10 ABA H H . . . . . . . 3.08 . . . . . A . 9 AIB H . . A . 10 AIB H . . . 9 AIB H . . . . . 10 AIB H . . c18861_2m1f 1 50 1 . . 1 1 12 12 GLN HB3 H . . . 1 1 12 12 GLN HE21 H . . . . . . . 4.63 . . . . . A . 12 GLN HB3 . . A . 12 GLN HE21 . . . 12 GLN HB3 . . . . . 12 GLN HE21 . . c18861_2m1f 1 51 1 . . 1 1 12 12 GLN HB2 H . . . 1 1 12 12 GLN HE21 H . . . . . . . 5.33 . . . . . A . 12 GLN HB2 . . A . 12 GLN HE21 . . . 12 GLN HB2 . . . . . 12 GLN HE21 . . c18861_2m1f 1 52 1 OR . 1 1 12 12 GLN HE21 H . . . 1 1 9 9 ABA HB2 H . . . . . . . 4.75 . . . . . A . 12 GLN HE21 . . A . 9 AIB HB2 . . . 12 GLN HE21 . . . . . 9 AIB QB2 . . c18861_2m1f 1 52 2 OR . 1 1 9 9 ABA HB3 H . . . 1 1 12 12 GLN HE21 H . . . . . . . 4.75 . . . . . A . 9 AIB HB3 . . A . 12 GLN HE21 . . . 9 AIB QB2 . . . . . 12 GLN HE21 . . c18861_2m1f 1 53 1 . . 1 1 6 6 Div HB11 H . . . 1 1 8 8 LEU H H . . . . . . . 4.28 . . . . . A . 6 DIV HB11 . . A . 8 LEU H . . . 6 DIV HB11 . . . . . 8 LEU H . . c18861_2m1f 1 54 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD2 H . . . . . . . 3.96 . . . . . A . 8 LEU H . . A . 8 LEU MD2 . . . 8 LEU H . . . . . 8 LEU QD2 . . c18861_2m1f 1 55 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . . . 3.22 . . . . . A . 8 LEU H . . A . 8 LEU HB2 . . . 8 LEU H . . . . . 8 LEU HB2 . . c18861_2m1f 1 56 1 . . 1 1 8 8 LEU H H . . . 1 1 9 9 ABA H H . . . . . . . 2.89 . . . . . A . 8 LEU H . . A . 9 AIB H . . . 8 LEU H . . . . . 9 AIB H . . c18861_2m1f 1 57 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD1 H . . . . . . . 4.16 . . . . . A . 8 LEU H . . A . 8 LEU MD1 . . . 8 LEU H . . . . . 8 LEU QD1 . . c18861_2m1f 1 58 1 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 GLY HA2 H . . . . . . . 3.45 . . . . . A . 8 LEU H . . A . 7 GLY HA2 . . . 8 LEU H . . . . . 7 GLY QA . . c18861_2m1f 1 58 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 8 8 LEU H H . . . . . . . 3.45 . . . . . A . 7 GLY HA3 . . A . 8 LEU H . . . 7 GLY QA . . . . . 8 LEU H . . c18861_2m1f 1 59 1 . . 1 1 8 8 LEU H H . . . 1 1 10 10 ABA H H . . . . . . . 6.22 . . . . . A . 8 LEU H . . A . 10 AIB H . . . 8 LEU H . . . . . 10 AIB H . . c18861_2m1f 1 60 1 . . 1 1 2 2 PHE HA H . . . 1 1 4 4 ABA H H . . . . . . . 4.59 . . . . . A . 2 PHE HA . . A . 4 AIB H . . . 2 PHE HA . . . . . 4 AIB H . . c18861_2m1f 1 61 1 . . 1 1 4 4 ABA H H . . . 1 1 2 2 PHE HB2 H . . . . . . . 5.94 . . . . . A . 4 AIB H . . A . 2 PHE HB2 . . . 4 AIB H . . . . . 2 PHE HB2 . . c18861_2m1f 1 62 1 . . 1 1 4 4 ABA H H . . . 1 1 1 1 ACE H* H . . . . . . . 4.40 . . . . . A . 4 AIB H . . A . 1 ACE H* . . . 4 AIB H . . . . . 1 ACE QA . . c18861_2m1f 1 63 1 . . 1 1 4 4 ABA H H . . . 1 1 2 2 PHE HB3 H . . . . . . . 4.88 . . . . . A . 4 AIB H . . A . 2 PHE HB3 . . . 4 AIB H . . . . . 2 PHE HB3 . . c18861_2m1f 1 64 1 OR . 1 1 4 4 ABA H H . . . 1 1 3 3 ABA HB2 H . . . . . . . 3.79 . . . . . A . 4 AIB H . . A . 3 AIB HB2 . . . 4 AIB H . . . . . 3 AIB QB2 . . c18861_2m1f 1 64 2 OR . 1 1 4 4 ABA H H . . . 1 1 3 3 ABA HB3 H . . . . . . . 3.79 . . . . . A . 4 AIB H . . A . 3 AIB HB3 . . . 4 AIB H . . . . . 3 AIB QB2 . . c18861_2m1f 1 65 1 . . 1 1 5 5 ABA H H . . . 1 1 4 4 ABA H H . . . . . . . 2.86 . . . . . A . 5 AIB H . . A . 4 AIB H . . . 5 AIB H . . . . . 4 AIB H . . c18861_2m1f 1 66 1 . . 1 1 4 4 ABA H H . . . 1 1 3 3 ABA H H . . . . . . . 2.87 . . . . . A . 4 AIB H . . A . 3 AIB H . . . 4 AIB H . . . . . 3 AIB H . . c18861_2m1f 1 67 1 . . 1 1 2 2 PHE HB2 H . . . 1 1 2 2 PHE H H . . . . . . . 2.96 . . . . . A . 2 PHE HB2 . . A . 2 PHE H . . . 2 PHE HB2 . . . . . 2 PHE H . . c18861_2m1f 1 68 1 . . 1 1 1 1 ACE H* H . . . 1 1 2 2 PHE H H . . . . . . . 2.90 . . . . . A . 1 ACE H* . . A . 2 PHE H . . . 1 ACE QA . . . . . 2 PHE H . . c18861_2m1f 1 69 1 . . 1 1 2 2 PHE HB3 H . . . 1 1 2 2 PHE H H . . . . . . . 3.35 . . . . . A . 2 PHE HB3 . . A . 2 PHE H . . . 2 PHE HB3 . . . . . 2 PHE H . . c18861_2m1f 1 70 1 . . 1 1 2 2 PHE HA H . . . 1 1 5 5 ABA H H . . . . . . . 4.05 . . . . . A . 2 PHE HA . . A . 5 AIB H . . . 2 PHE HA . . . . . 5 AIB H . . c18861_2m1f 1 71 1 . . 1 1 5 5 ABA H H . . . 1 1 4 4 ABA H H . . . . . . . 2.56 . . . . . A . 5 AIB H . . A . 4 AIB H . . . 5 AIB H . . . . . 4 AIB QQB . . c18861_2m1f 1 72 1 OR . 1 1 5 5 ABA H H . . . 1 1 3 3 ABA HB2 H . . . . . . . 4.79 . . . . . A . 5 AIB H . . A . 3 AIB HB2 . . . 5 AIB H . . . . . 3 AIB QB2 . . c18861_2m1f 1 72 2 OR . 1 1 5 5 ABA H H . . . 1 1 3 3 ABA HB3 H . . . . . . . 4.79 . . . . . A . 5 AIB H . . A . 3 AIB HB3 . . . 5 AIB H . . . . . 3 AIB QB2 . . c18861_2m1f 1 73 1 . . 1 1 5 5 ABA H H . . . 1 1 3 3 ABA H H . . . . . . . 4.01 . . . . . A . 5 AIB H . . A . 3 AIB H . . . 5 AIB H . . . . . 3 AIB H . . c18861_2m1f 1 74 1 . . 1 1 11 11 HYP HD23 H . . . 1 1 10 10 ABA H H . . . . . . . 2.96 . . . . . A . 11 HYP HD23 . . A . 10 AIB H . . . 11 HYP HD23 . . . . . 10 AIB H . . c18861_2m1f 1 75 1 . . 1 1 6 6 Div HB11 H . . . 1 1 10 10 ABA H H . . . . . . . 4.48 . . . . . A . 6 DIV HB11 . . A . 10 AIB H . . . 6 DIV HB11 . . . . . 10 AIB H . . c18861_2m1f 1 76 1 . . 1 1 12 12 GLN HB2 H . . . 1 1 10 10 ABA H H . . . . . . . 5.43 . . . . . A . 12 GLN HB2 . . A . 10 AIB H . . . 12 GLN HB2 . . . . . 10 AIB H . . c18861_2m1f 1 77 1 . . 1 1 11 11 HYP HD22 H . . . 1 1 10 10 ABA H H . . . . . . . 3.31 . . . . . A . 11 HYP HD22 . . A . 10 AIB H . . . 11 HYP HD22 . . . . . 10 AIB H . . c18861_2m1f 1 78 1 . . 1 1 10 10 ABA H H . . . 1 1 11 11 HYP HB2 H . . . . . . . 5.52 . . . . . A . 10 AIB H . . A . 11 HYP HB2 . . . 10 AIB H . . . . . 11 HYP HB2 . . c18861_2m1f 1 79 1 OR . 1 1 10 10 ABA H H . . . 1 1 7 7 GLY HA2 H . . . . . . . 4.32 . . . . . A . 10 AIB H . . A . 7 GLY HA2 . . . 10 AIB H . . . . . 7 GLY QA . . c18861_2m1f 1 79 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 10 10 ABA H H . . . . . . . 4.32 . . . . . A . 7 GLY HA3 . . A . 10 AIB H . . . 7 GLY QA . . . . . 10 AIB H . . c18861_2m1f 1 80 1 . . 1 1 6 6 Div HB12 H . . . 1 1 10 10 ABA H H . . . . . . . 4.98 . . . . . A . 6 DIV HB12 . . A . 10 AIB H . . . 6 DIV HB12 . . . . . 10 AIB H . . c18861_2m1f 1 81 1 . . 1 1 10 10 ABA H H . . . 1 1 8 8 LEU HB3 H . . . . . . . 5.78 . . . . . A . 10 AIB H . . A . 8 LEU HB3 . . . 10 AIB H . . . . . 8 LEU HB3 . . c18861_2m1f 1 82 1 . . 1 1 10 10 ABA H H . . . 1 1 11 11 HYP HG H . . . . . . . 4.42 . . . . . A . 10 AIB H . . A . 11 HYP HG . . . 10 AIB H . . . . . 11 HYP HG . . c18861_2m1f 1 83 1 . . 1 1 8 8 LEU HA H . . . 1 1 10 10 ABA H H . . . . . . . 4.03 . . . . . A . 8 LEU HA . . A . 10 AIB H . . . 8 LEU HA . . . . . 10 AIB H . . c18861_2m1f 1 84 1 . . 1 1 12 12 GLN H H . . . 1 1 10 10 ABA H H . . . . . . . 4.86 . . . . . A . 12 GLN H . . A . 10 AIB H . . . 12 GLN H . . . . . 10 AIB H . . c18861_2m1f 1 85 1 . . 1 1 10 10 ABA H H . . . 1 1 8 8 LEU HG H . . . . . . . 6.01 . . . . . A . 10 AIB H . . A . 8 LEU HG . . . 10 AIB H . . . . . 8 LEU HG . . c18861_2m1f 1 86 1 . . 1 1 12 12 GLN H H . . . 1 1 11 11 HYP HD23 H . . . . . . . 4.03 . . . . . A . 12 GLN H . . A . 11 HYP HD23 . . . 12 GLN H . . . . . 11 HYP HD23 . . c18861_2m1f 1 87 1 . . 1 1 12 12 GLN HB2 H . . . 1 1 12 12 GLN H H . . . . . . . 3.25 . . . . . A . 12 GLN HB2 . . A . 12 GLN H . . . 12 GLN HB2 . . . . . 12 GLN H . . c18861_2m1f 1 88 1 . . 1 1 12 12 GLN H H . . . 1 1 11 11 HYP HD22 H . . . . . . . 3.61 . . . . . A . 12 GLN H . . A . 11 HYP HD22 . . . 12 GLN H . . . . . 11 HYP HD22 . . c18861_2m1f 1 89 1 . . 1 1 14 14 HYP HD23 H . . . 1 1 12 12 GLN H H . . . . . . . 4.59 . . . . . A . 14 HYP HD23 . . A . 12 GLN H . . . 14 HYP HD23 . . . . . 12 GLN H . . c18861_2m1f 1 90 1 . . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HE21 H . . . . . . . 4.33 . . . . . A . 12 GLN H . . A . 12 GLN HE21 . . . 12 GLN H . . . . . 12 GLN HE21 . . c18861_2m1f 1 91 1 . . 1 1 12 12 GLN H H . . . 1 1 11 11 HYP HB2 H . . . . . . . 4.09 . . . . . A . 12 GLN H . . A . 11 HYP HB2 . . . 12 GLN H . . . . . 11 HYP HB2 . . c18861_2m1f 1 92 1 . . 1 1 12 12 GLN H H . . . 1 1 11 11 HYP HG H . . . . . . . 4.29 . . . . . A . 12 GLN H . . A . 11 HYP HG . . . 12 GLN H . . . . . 11 HYP HG . . c18861_2m1f 1 93 1 . . 1 1 14 14 HYP HD22 H . . . 1 1 12 12 GLN H H . . . . . . . 5.21 . . . . . A . 14 HYP HD22 . . A . 12 GLN H . . . 14 HYP HD22 . . . . . 12 GLN H . . c18861_2m1f 1 94 1 . . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HE22 H . . . . . . . 5.80 . . . . . A . 12 GLN H . . A . 12 GLN HE22 . . . 12 GLN H . . . . . 12 GLN HE22 . . c18861_2m1f 1 95 1 . . 1 1 2 2 PHE HB2 H . . . 1 1 3 3 ABA H H . . . . . . . 3.77 . . . . . A . 2 PHE HB2 . . A . 3 AIB H . . . 2 PHE HB2 . . . . . 3 AIB H . . c18861_2m1f 1 96 1 . . 1 1 1 1 ACE H* H . . . 1 1 3 3 ABA H H . . . . . . . 4.25 . . . . . A . 1 ACE H* . . A . 3 AIB H . . . 1 ACE QA . . . . . 3 AIB H . . c18861_2m1f 1 97 1 . . 1 1 4 4 ABA H H . . . 1 1 3 3 ABA H H . . . . . . . 5.21 . . . . . A . 4 AIB H . . A . 3 AIB H . . . 4 AIB QQB . . . . . 3 AIB H . . c18861_2m1f 1 98 1 . . 1 1 2 2 PHE HB3 H . . . 1 1 3 3 ABA H H . . . . . . . 3.45 . . . . . A . 2 PHE HB3 . . A . 3 AIB H . . . 2 PHE HB3 . . . . . 3 AIB H . . c18861_2m1f 1 99 1 OR . 1 1 3 3 ABA H H . . . 1 1 3 3 ABA HB2 H . . . . . . . 2.83 . . . . . A . 3 AIB H . . A . 3 AIB HB2 . . . 3 AIB H . . . . . 3 AIB QB2 . . c18861_2m1f 1 99 2 OR . 1 1 3 3 ABA HB3 H . . . 1 1 3 3 ABA H H . . . . . . . 2.83 . . . . . A . 3 AIB HB3 . . A . 3 AIB H . . . 3 AIB QB2 . . . . . 3 AIB H . . c18861_2m1f 1 100 1 OR . 1 1 6 6 Div H H . . . 1 1 3 3 ABA HB2 H . . . . . . . 0.00 . . . . . A . 6 DIV H . . A . 3 AIB HB2 . . . 6 DIV H . . . . . 3 AIB QB2 . . c18861_2m1f 1 100 2 OR . 1 1 6 6 Div H H . . . 1 1 3 3 ABA HB3 H . . . . . . . 0.00 . . . . . A . 6 DIV H . . A . 3 AIB HB3 . . . 6 DIV H . . . . . 3 AIB QB2 . . c18861_2m1f 1 101 1 . . 1 1 9 9 ABA H H . . . 1 1 8 8 LEU HB2 H . . . . . . . 0.00 . . . . . A . 9 AIB H . . A . 8 LEU HB2 . . . 9 AIB H . . . . . 8 LEU HB2 . . c18861_2m1f 1 102 1 OR . 1 1 9 9 ABA H H . . . 1 1 10 10 ABA HB2 H . . . . . . . 0.00 . . . . . A . 9 AIB H . . A . 10 AIB HB2 . . . 9 AIB H . . . . . 10 AIB QB2 . . c18861_2m1f 1 102 2 OR . 1 1 10 10 ABA HB3 H . . . 1 1 9 9 ABA H H . . . . . . . 0.00 . . . . . A . 10 AIB HB3 . . A . 9 AIB H . . . 10 AIB QB2 . . . . . 9 AIB H . . c18861_2m1f 1 103 1 OR . 1 1 12 12 GLN H H . . . 1 1 10 10 ABA HB2 H . . . . . . . 3.39 . . . . . A . 12 GLN H . . A . 10 AIB HB2 . . . 12 GLN H . . . . . 10 AIB QB2 . . c18861_2m1f 1 103 2 OR . 1 1 10 10 ABA HB3 H . . . 1 1 12 12 GLN H H . . . . . . . 3.39 . . . . . A . 10 AIB HB3 . . A . 12 GLN H . . . 10 AIB QB2 . . . . . 12 GLN H . . c18861_2m1f 1 104 1 OR . 1 1 13 13 Div H H . . . 1 1 12 12 GLN HG2 H . . . . . . . 3.73 . . . . . A . 13 DIV H . . A . 12 GLN HG2 . . . 13 DIV H . . . . . 12 GLN QG . . c18861_2m1f 1 104 2 OR . 1 1 13 13 Div H H . . . 1 1 12 12 GLN HG3 H . . . . . . . 3.73 . . . . . A . 13 DIV H . . A . 12 GLN HG3 . . . 13 DIV H . . . . . 12 GLN QG . . c18861_2m1f 1 105 1 . . 1 1 13 13 Div H H . . . 1 1 12 12 GLN HB3 H . . . . . . . 0.00 . . . . . A . 13 DIV H . . A . 12 GLN HB3 . . . 13 DIV H . . . . . 12 GLN HB3 . . c18861_2m1f 1 106 1 . . 1 1 8 8 LEU H H . . . 1 1 4 4 ABA H H . . . . . . . 0.00 . . . . . A . 8 LEU H . . A . 4 AIB H . . . 8 LEU H . . . . . 4 AIB QQB . . c18861_2m1f 1 107 1 . . 1 1 5 5 ABA H H . . . 1 1 8 8 LEU H H . . . . . . . 0.00 . . . . . A . 5 AIB H . . A . 8 LEU H . . . 5 AIB QQB . . . . . 8 LEU H . . c18861_2m1f 1 108 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HG H . . . . . . . 2.67 . . . . . A . 8 LEU H . . A . 8 LEU HG . . . 8 LEU H . . . . . 8 LEU HG . . c18861_2m1f 1 109 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . . . 0.00 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . . . 8 LEU H . . . . . 8 LEU HB3 . . c18861_2m1f 1 110 1 OR . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HG2 H . . . . . . . 3.13 . . . . . A . 12 GLN H . . A . 12 GLN HG2 . . . 12 GLN H . . . . . 12 GLN QG . . c18861_2m1f 1 110 2 OR . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HG3 H . . . . . . . 3.13 . . . . . A . 12 GLN H . . A . 12 GLN HG3 . . . 12 GLN H . . . . . 12 GLN QG . . c18861_2m1f 1 111 1 . . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HB3 H . . . . . . . 0.00 . . . . . A . 12 GLN H . . A . 12 GLN HB3 . . . 12 GLN H . . . . . 12 GLN HB3 . . c18861_2m1f 1 112 1 . . 1 1 12 12 GLN H H . . . 1 1 11 11 HYP HB3 H . . . . . . . 0.00 . . . . . A . 12 GLN H . . A . 11 HYP HB3 . . . 12 GLN H . . . . . 11 HYP HB3 . . c18861_2m1f 1 113 1 . . 1 1 9 9 ABA H H . . . 1 1 8 8 LEU HG H . . . . . . . 3.62 . . . . . A . 9 AIB H . . A . 8 LEU HG . . . 9 AIB H . . . . . 8 LEU HG . . c18861_2m1f 1 114 1 . . 1 1 9 9 ABA H H . . . 1 1 8 8 LEU HB3 H . . . . . . . 0.00 . . . . . A . 9 AIB H . . A . 8 LEU HB3 . . . 9 AIB H . . . . . 8 LEU HB3 . . c18861_2m1f 1 115 1 OR . 1 1 10 10 ABA H H . . . 1 1 10 10 ABA HB2 H . . . . . . . 2.53 . . . . . A . 10 AIB H . . A . 10 AIB HB2 . . . 10 AIB H . . . . . 10 AIB QB2 . . c18861_2m1f 1 115 2 OR . 1 1 10 10 ABA HB3 H . . . 1 1 10 10 ABA H H . . . . . . . 2.53 . . . . . A . 10 AIB HB3 . . A . 10 AIB H . . . 10 AIB QB2 . . . . . 10 AIB H . . c18861_2m1f 1 116 1 OR . 1 1 10 10 ABA H H . . . 1 1 9 9 ABA HB2 H . . . . . . . 0.00 . . . . . A . 10 AIB H . . A . 9 AIB HB2 . . . 10 AIB H . . . . . 9 AIB QB2 . . c18861_2m1f 1 116 2 OR . 1 1 9 9 ABA HB3 H . . . 1 1 10 10 ABA H H . . . . . . . 0.00 . . . . . A . 9 AIB HB3 . . A . 10 AIB H . . . 9 AIB QB2 . . . . . 10 AIB H . . c18861_2m1f 1 117 1 . . 1 1 9 9 ABA H H . . . 1 1 10 10 ABA H H . . . . . . . 2.85 . . . . . A . 9 AIB H . . A . 10 AIB H . . . 9 AIB H . . . . . 10 AIB H . . c18861_2m1f 1 118 1 . . 1 1 13 13 Div H H . . . 1 1 10 10 ABA H H . . . . . . . 0.00 . . . . . A . 13 DIV H . . A . 10 AIB H . . . 13 DIV H . . . . . 10 AIB H . . c18861_2m1f 1 119 1 . . 1 1 17 17 PHL H H . . . 1 1 16 16 PRO HG3 H . . . . . . . 3.75 . . . . . A . 17 PHL H . . A . 16 PRO HG3 . . . 17 PHL H . . . . . 16 PRO HG3 . . c18861_2m1f 1 120 1 OR . 1 1 17 17 PHL H H . . . 1 1 15 15 ABA HB2 H . . . . . . . 0.00 . . . . . A . 17 PHL H . . A . 15 AIB HB2 . . . 17 PHL H . . . . . 15 AIB QB2 . . c18861_2m1f 1 120 2 OR . 1 1 17 17 PHL H H . . . 1 1 15 15 ABA HB3 H . . . . . . . 0.00 . . . . . A . 17 PHL H . . A . 15 AIB HB3 . . . 17 PHL H . . . . . 15 AIB QB2 . . c18861_2m1f 1 121 1 OR . 1 1 17 17 PHL H H . . . 1 1 17 17 PHL HC1 H . . . . . . . 3.01 . . . . . A . 17 PHL H . . A . 17 PHL HC1 . . . 17 PHL H . . . . . 17 PHL HC . . c18861_2m1f 1 121 2 OR . 1 1 17 17 PHL H H . . . 1 1 17 17 PHL HC2 H . . . . . . . 3.01 . . . . . A . 17 PHL H . . A . 17 PHL HC2 . . . 17 PHL H . . . . . 17 PHL HC . . c18861_2m1f 1 122 1 . . 1 1 17 17 PHL H H . . . 1 1 16 16 PRO HD3 H . . . . . . . 0.00 . . . . . A . 17 PHL H . . A . 16 PRO HD3 . . . 17 PHL H . . . . . 16 PRO HD3 . . c18861_2m1f 1 123 1 OR . 1 1 2 2 PHE H H . . . 1 1 3 3 ABA HB2 H . . . . . . . 4.16 . . . . . A . 2 PHE H . . A . 3 AIB HB2 . . . 2 PHE H . . . . . 3 AIB QB2 . . c18861_2m1f 1 123 2 OR . 1 1 3 3 ABA HB3 H . . . 1 1 2 2 PHE H H . . . . . . . 4.16 . . . . . A . 3 AIB HB3 . . A . 2 PHE H . . . 3 AIB QB2 . . . . . 2 PHE H . . c18861_2m1f 1 124 1 . . 1 1 4 4 ABA H H . . . 1 1 2 2 PHE H H . . . . . . . 4.26 . . . . . A . 4 AIB H . . A . 2 PHE H . . . 4 AIB QQB . . . . . 2 PHE H . . c18861_2m1f 1 125 1 . . 1 1 5 5 ABA H H . . . 1 1 2 2 PHE H H . . . . . . . 0.00 . . . . . A . 5 AIB H . . A . 2 PHE H . . . 5 AIB QQB . . . . . 2 PHE H . . c18861_2m1f 1 126 1 . . 1 1 15 15 ABA H H . . . 1 1 14 14 HYP HB3 H . . . . . . . 4.21 . . . . . A . 15 AIB H . . A . 14 HYP HB3 . . . 15 AIB H . . . . . 14 HYP HB3 . . c18861_2m1f 1 127 1 . . 1 1 15 15 ABA H H . . . 1 1 12 12 GLN HB3 H . . . . . . . 0.00 . . . . . A . 15 AIB H . . A . 12 GLN HB3 . . . 15 AIB H . . . . . 12 GLN HB3 . . c18861_2m1f 1 128 1 OR . 1 1 12 12 GLN HA H . . . 1 1 12 12 GLN HG2 H . . . . . . . 4.07 . . . . . A . 12 GLN HA . . A . 12 GLN HG2 . . . 12 GLN HA . . . . . 12 GLN QG . . c18861_2m1f 1 128 2 OR . 1 1 12 12 GLN HA H . . . 1 1 12 12 GLN HG3 H . . . . . . . 4.07 . . . . . A . 12 GLN HA . . A . 12 GLN HG3 . . . 12 GLN HA . . . . . 12 GLN QG . . c18861_2m1f 1 129 1 OR . 1 1 14 14 HYP HB2 H . . . 1 1 15 15 ABA HB2 H . . . . . . . 3.49 . . . . . A . 14 HYP HB2 . . A . 15 AIB HB2 . . . 14 HYP HB2 . . . . . 15 AIB QB2 . . c18861_2m1f 1 129 2 OR . 1 1 15 15 ABA HB3 H . . . 1 1 14 14 HYP HB2 H . . . . . . . 3.49 . . . . . A . 15 AIB HB3 . . A . 14 HYP HB2 . . . 15 AIB QB2 . . . . . 14 HYP HB2 . . c18861_2m1f 1 130 1 . . 1 1 8 8 LEU MD1 H . . . 1 1 8 8 LEU HB3 H . . . . . . . 3.66 . . . . . A . 8 LEU MD1 . . A . 8 LEU HB3 . . . 8 LEU QD1 . . . . . 8 LEU HB3 . . c18861_2m1f 1 131 1 . . 1 1 16 16 PRO HB2 H . . . 1 1 16 16 PRO HD2 H . . . . . . . 4.63 . . . . . A . 16 PRO HB2 . . A . 16 PRO HD2 . . . 16 PRO HB2 . . . . . 16 PRO HD2 . . c18861_2m1f 1 132 1 . . 1 1 16 16 PRO HG2 H . . . 1 1 16 16 PRO HD2 H . . . . . . . 4.23 . . . . . A . 16 PRO HG2 . . A . 16 PRO HD2 . . . 16 PRO HG2 . . . . . 16 PRO HD2 . . c18861_2m1f 1 133 1 . . 1 1 16 16 PRO HB3 H . . . 1 1 16 16 PRO HD2 H . . . . . . . 4.61 . . . . . A . 16 PRO HB3 . . A . 16 PRO HD2 . . . 16 PRO HB3 . . . . . 16 PRO HD2 . . c18861_2m1f 1 134 1 . . 1 1 16 16 PRO HB3 H . . . 1 1 16 16 PRO HD3 H . . . . . . . 4.59 . . . . . A . 16 PRO HB3 . . A . 16 PRO HD3 . . . 16 PRO HB3 . . . . . 16 PRO HD3 . . c18861_2m1f 1 135 1 . . 1 1 16 16 PRO HG2 H . . . 1 1 16 16 PRO HD3 H . . . . . . . 4.15 . . . . . A . 16 PRO HG2 . . A . 16 PRO HD3 . . . 16 PRO HG2 . . . . . 16 PRO HD3 . . c18861_2m1f 1 136 1 . . 1 1 14 14 HYP HB2 H . . . 1 1 14 14 HYP HD22 H . . . . . . . 4.19 . . . . . A . 14 HYP HB2 . . A . 14 HYP HD22 . . . 14 HYP HB2 . . . . . 14 HYP HD22 . . c18861_2m1f 1 137 1 OR . 1 1 11 11 HYP HD22 H . . . 1 1 9 9 ABA HB3 H . . . . . . . 3.05 . . . . . A . 11 HYP HD22 . . A . 9 AIB HB3 . . . 11 HYP HD2 . . . . . 9 AIB QB2 . . c18861_2m1f 1 137 2 OR . 1 1 11 11 HYP HD22 H . . . 1 1 9 9 ABA HB2 H . . . . . . . 3.05 . . . . . A . 11 HYP HD22 . . A . 9 AIB HB2 . . . 11 HYP HD2 . . . . . 9 AIB QB2 . . c18861_2m1f 1 138 1 OR . 1 1 17 17 PHL HB2 H . . . 1 1 17 17 PHL HC1 H . . . . . . . 3.45 . . . . . A . 17 PHL HB2 . . A . 17 PHL HC1 . . . 17 PHL HB2 . . . . . 17 PHL HC . . c18861_2m1f 1 138 2 OR . 1 1 17 17 PHL HB2 H . . . 1 1 17 17 PHL HC2 H . . . . . . . 3.45 . . . . . A . 17 PHL HB2 . . A . 17 PHL HC2 . . . 17 PHL HB2 . . . . . 17 PHL HC . . c18861_2m1f 1 139 1 OR . 1 1 17 17 PHL HB3 H . . . 1 1 17 17 PHL HC1 H . . . . . . . 3.35 . . . . . A . 17 PHL HB3 . . A . 17 PHL HC1 . . . 17 PHL HB3 . . . . . 17 PHL HC . . c18861_2m1f 1 139 2 OR . 1 1 17 17 PHL HB3 H . . . 1 1 17 17 PHL HC2 H . . . . . . . 3.35 . . . . . A . 17 PHL HB3 . . A . 17 PHL HC2 . . . 17 PHL HB3 . . . . . 17 PHL HC . . c18861_2m1f 1 140 1 . . 1 1 14 14 HYP HD22 H . . . 1 1 14 14 HYP HG H . . . . . . . 3.78 . . . . . A . 14 HYP HD22 . . A . 14 HYP HG . . . 14 HYP HD22 . . . . . 14 HYP HG . . c18861_2m1f 1 141 1 . . 1 1 11 11 HYP HD23 H . . . 1 1 11 11 HYP HG H . . . . . . . 4.14 . . . . . A . 11 HYP HD23 . . A . 11 HYP HG . . . 11 HYP HD23 . . . . . 11 HYP HG . . c18861_2m1f 1 142 1 . . 1 1 8 8 LEU MD2 H . . . 1 1 8 8 LEU HB2 H . . . . . . . 3.26 . . . . . A . 8 LEU MD2 . . A . 8 LEU HB2 . . . 8 LEU QD2 . . . . . 8 LEU HB2 . . c18861_2m1f 1 143 1 . . 1 1 8 8 LEU MD2 H . . . 1 1 8 8 LEU HA H . . . . . . . 2.88 . . . . . A . 8 LEU MD2 . . A . 8 LEU HA . . . 8 LEU QD2 . . . . . 8 LEU HA . . c18861_2m1f 1 144 1 . . 1 1 8 8 LEU MD1 H . . . 1 1 8 8 LEU HB2 H . . . . . . . 3.38 . . . . . A . 8 LEU MD1 . . A . 8 LEU HB2 . . . 8 LEU QD1 . . . . . 8 LEU HB2 . . c18861_2m1f 1 145 1 . . 1 1 8 8 LEU MD1 H . . . 1 1 8 8 LEU HA H . . . . . . . 3.53 . . . . . A . 8 LEU MD1 . . A . 8 LEU HA . . . 8 LEU QD1 . . . . . 8 LEU HA . . c18861_2m1f 1 146 1 . . 1 1 11 11 HYP HD22 H . . . 1 1 11 11 HYP HG H . . . . . . . 3.67 . . . . . A . 11 HYP HD22 . . A . 11 HYP HG . . . 11 HYP HD22 . . . . . 11 HYP HG . . c18861_2m1f 1 147 1 . . 1 1 14 14 HYP HD23 H . . . 1 1 14 14 HYP HG H . . . . . . . 4.08 . . . . . A . 14 HYP HD23 . . A . 14 HYP HG . . . 14 HYP HD23 . . . . . 14 HYP HG . . c18861_2m1f 1 148 1 . . 1 1 11 11 HYP HD22 H . . . 1 1 11 11 HYP HB2 H . . . . . . . 4.10 . . . . . A . 11 HYP HD22 . . A . 11 HYP HB2 . . . 11 HYP HD22 . . . . . 11 HYP HB2 . . c18861_2m1f 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 'peak 1' 1 49 1 55 c18861_2m1f 1 2 'peak 5' 2 49 2 55 c18861_2m1f 1 3 'peak 9' 3 49 3 55 c18861_2m1f 1 4 'peak 10' 4 49 4 56 c18861_2m1f 1 5 'peak 11' 5 49 5 56 c18861_2m1f 1 6 'peak 12' 6 49 6 56 c18861_2m1f 1 7 'peak 13' 7 49 7 56 c18861_2m1f 1 8 'peak 16' 8 49 8 56 c18861_2m1f 1 9 'peak 17' 9 49 9 56 c18861_2m1f 1 10 'peak 20' 10 49 10 56 c18861_2m1f 1 11 'peak 21' 11 49 11 56 c18861_2m1f 1 12 'peak 22' 12 49 12 56 c18861_2m1f 1 13 'peak 24' 13 49 13 56 c18861_2m1f 1 14 'peak 25' 14 49 14 56 c18861_2m1f 1 15 'peak 26' 15 49 15 56 c18861_2m1f 1 16 'peak 28' 16 49 16 56 c18861_2m1f 1 17 'peak 30' 17 49 17 56 c18861_2m1f 1 18 'peak 31' 18 49 18 56 c18861_2m1f 1 19 'peak 32' 19 49 19 56 c18861_2m1f 1 20 'peak 33' 20 49 20 56 c18861_2m1f 1 21 'peak 34' 21 49 21 56 c18861_2m1f 1 22 'peak 37' 22 49 22 56 c18861_2m1f 1 23 'peak 38' 23 49 23 56 c18861_2m1f 1 24 'peak 40' 24 49 24 56 c18861_2m1f 1 25 'peak 41' 25 49 25 56 c18861_2m1f 1 26 'peak 42' 26 49 26 56 c18861_2m1f 1 27 'peak 44' 27 49 27 56 c18861_2m1f 1 28 'peak 46' 28 49 28 56 c18861_2m1f 1 29 'peak 48' 29 49 29 56 c18861_2m1f 1 30 'peak 49' 30 49 30 56 c18861_2m1f 1 31 'peak 50' 31 49 31 56 c18861_2m1f 1 32 'peak 52' 32 49 32 56 c18861_2m1f 1 33 'peak 54' 33 49 33 56 c18861_2m1f 1 34 'peak 55' 34 49 34 56 c18861_2m1f 1 35 'peak 58' 35 49 35 56 c18861_2m1f 1 36 'peak 59' 36 49 36 56 c18861_2m1f 1 37 'peak 60' 37 49 37 56 c18861_2m1f 1 38 'peak 61' 38 49 38 56 c18861_2m1f 1 39 'peak 63' 39 49 39 56 c18861_2m1f 1 40 'peak 64' 40 49 40 56 c18861_2m1f 1 41 'peak 67' 41 49 41 56 c18861_2m1f 1 42 'peak 68' 42 49 42 56 c18861_2m1f 1 43 'peak 69' 43 49 43 56 c18861_2m1f 1 44 'peak 70' 44 49 44 56 c18861_2m1f 1 45 'peak 71' 45 49 45 56 c18861_2m1f 1 46 'peak 72' 46 49 46 56 c18861_2m1f 1 47 'peak 73' 47 49 47 56 c18861_2m1f 1 48 'peak 75' 48 49 48 56 c18861_2m1f 1 49 'peak 79' 49 49 49 56 c18861_2m1f 1 50 'peak 80' 50 49 50 56 c18861_2m1f 1 51 'peak 83' 51 49 51 56 c18861_2m1f 1 52 'peak 84' 52 49 52 56 c18861_2m1f 1 53 'peak 85' 53 49 53 56 c18861_2m1f 1 54 'peak 86' 54 49 54 56 c18861_2m1f 1 55 'peak 88' 55 49 55 56 c18861_2m1f 1 56 'peak 89' 56 49 56 56 c18861_2m1f 1 57 'peak 91' 57 49 57 56 c18861_2m1f 1 58 '10 AIB QB1 12 GLN HE21 6.28 #peak 93' 58 1 58 56 c18861_2m1f 1 59 'peak 94' 59 49 59 56 c18861_2m1f 1 60 'peak 97' 60 49 60 56 c18861_2m1f 1 61 'peak 100' 61 49 61 57 c18861_2m1f 1 62 'peak 101' 62 49 62 57 c18861_2m1f 1 63 'peak 103' 63 49 63 57 c18861_2m1f 1 64 'peak 106' 64 49 64 57 c18861_2m1f 1 65 'peak 108' 65 49 65 57 c18861_2m1f 1 66 'peak 109' 66 49 66 57 c18861_2m1f 1 67 'peak 113' 67 49 67 57 c18861_2m1f 1 68 'peak 114' 68 49 68 57 c18861_2m1f 1 69 'peak 116' 69 49 69 57 c18861_2m1f 1 70 'peak 117' 70 49 70 57 c18861_2m1f 1 71 'peak 120' 71 49 71 57 c18861_2m1f 1 72 'peak 121' 72 49 72 57 c18861_2m1f 1 73 'peak 122' 73 49 73 57 c18861_2m1f 1 74 'peak 123' 74 49 74 57 c18861_2m1f 1 75 'peak 125' 75 49 75 57 c18861_2m1f 1 76 'peak 128' 76 49 76 57 c18861_2m1f 1 77 'peak 130' 77 49 77 57 c18861_2m1f 1 78 'peak 132' 78 49 78 57 c18861_2m1f 1 79 'peak 134' 79 49 79 57 c18861_2m1f 1 80 'peak 137' 80 49 80 57 c18861_2m1f 1 81 'peak 142' 81 49 81 57 c18861_2m1f 1 82 'peak 143' 82 49 82 57 c18861_2m1f 1 83 'peak 144' 83 49 83 57 c18861_2m1f 1 84 'peak 148' 84 49 84 57 c18861_2m1f 1 85 'peak 149' 85 49 85 57 c18861_2m1f 1 86 'peak 150' 86 49 86 57 c18861_2m1f 1 87 'peak 152' 87 49 87 57 c18861_2m1f 1 88 'peak 155' 88 49 88 57 c18861_2m1f 1 89 'peak 156' 89 49 89 57 c18861_2m1f 1 90 'peak 159' 90 49 90 57 c18861_2m1f 1 91 'peak 160' 91 49 91 57 c18861_2m1f 1 92 'peak 161' 92 49 92 57 c18861_2m1f 1 93 'peak 163' 93 49 93 57 c18861_2m1f 1 94 'peak 164' 94 49 94 57 c18861_2m1f 1 95 'peak 165' 95 49 95 57 c18861_2m1f 1 96 'peak 167' 96 49 96 57 c18861_2m1f 1 97 'peak 168' 97 49 97 57 c18861_2m1f 1 98 'peak 179' 98 49 98 57 c18861_2m1f 1 99 'peak 183' 99 49 99 57 c18861_2m1f 1 100 'peak 186' 100 49 100 57 c18861_2m1f 1 101 'peak 187' 101 49 101 57 c18861_2m1f 1 102 'peak 188' 102 49 102 57 c18861_2m1f 1 103 'peak 189' 103 49 103 57 c18861_2m1f 1 104 'peak 190' 104 49 104 57 c18861_2m1f 1 105 'peak 191' 105 49 105 57 c18861_2m1f 1 106 'peak 193' 106 49 106 57 c18861_2m1f 1 107 'peak 195' 107 49 107 57 c18861_2m1f 1 108 'peak 196' 108 49 108 57 c18861_2m1f 1 109 'peak 199' 109 49 109 57 c18861_2m1f 1 110 'peak 200' 110 49 110 57 c18861_2m1f 1 111 'peak 201' 111 49 111 57 c18861_2m1f 1 112 'peak 202' 112 49 112 57 c18861_2m1f 1 113 'peak 203' 113 49 113 57 c18861_2m1f 1 114 'peak 204' 114 49 114 57 c18861_2m1f 1 115 'peak 140' 115 49 115 57 c18861_2m1f 1 116 'peak 126' 117 49 117 57 c18861_2m1f 1 117 'peak 19' 119 49 119 56 c18861_2m1f 1 118 'peak 76' 122 49 122 56 c18861_2m1f 1 119 'peak 74' 124 49 124 56 c18861_2m1f 1 120 'peak 182' 126 49 126 57 c18861_2m1f 1 121 'peak 43' 128 49 128 56 c18861_2m1f 1 122 'peak 110' 130 49 130 57 c18861_2m1f 1 123 'peak 111' 133 49 133 57 c18861_2m1f 1 124 'peak 177' 135 49 135 57 c18861_2m1f 1 125 'peak 87' 138 49 138 56 c18861_2m1f 1 126 'peak 162' 140 49 140 57 c18861_2m1f 1 127 'peak 154' 143 49 143 57 c18861_2m1f 1 128 'peak 2' 145 49 145 55 c18861_2m1f 1 129 'peak 6' 147 49 147 55 c18861_2m1f 1 130 'peak 131' 149 49 149 57 c18861_2m1f 1 131 'peak 209' 151 49 151 57 c18861_2m1f 1 132 'peak 210' 153 49 153 57 c18861_2m1f 1 133 13C 156 2 156 5 c18861_2m1f 1 134 'peak 16' 157 49 157 56 c18861_2m1f 1 135 'peak 18' 158 49 158 56 c18861_2m1f 1 136 'peak 26' 159 49 159 56 c18861_2m1f 1 137 'peak 33' 160 49 160 56 c18861_2m1f 1 138 'peak 35' 161 49 161 56 c18861_2m1f 1 139 'peak 37' 162 49 162 56 c18861_2m1f 1 140 'peak 38' 163 49 163 56 c18861_2m1f 1 141 'peak 41' 164 49 164 56 c18861_2m1f 1 142 'peak 59' 165 49 165 56 c18861_2m1f 1 143 'peak 64' 166 49 166 56 c18861_2m1f 1 144 'peak 78' 167 49 167 56 c18861_2m1f 1 145 'peak 80' 168 49 168 56 c18861_2m1f 1 146 'peak 82' 169 49 169 56 c18861_2m1f 1 147 'peak 84' 170 49 170 56 c18861_2m1f 1 148 'peak 86' 171 49 171 56 c18861_2m1f 1 149 'peak 87' 172 49 172 56 c18861_2m1f 1 150 'peak 92' 173 49 173 56 c18861_2m1f 1 151 'peak 93' 174 49 174 56 c18861_2m1f 1 152 'peak 96' 175 49 175 56 c18861_2m1f 1 153 'peak 98' 176 49 176 56 c18861_2m1f 1 154 'peak 104' 177 49 177 57 c18861_2m1f 1 155 'peak 134' 178 49 178 57 c18861_2m1f 1 156 'peak 148' 179 49 179 57 c18861_2m1f 1 157 'peak 169' 180 49 180 57 c18861_2m1f 1 158 'peak 171' 181 49 181 57 c18861_2m1f 1 159 'peak 174' 182 49 182 57 c18861_2m1f 1 160 'peak 175' 183 49 183 57 c18861_2m1f 1 161 'peak 177' 184 49 184 57 c18861_2m1f 1 162 'peak 181' 185 49 185 57 c18861_2m1f 1 163 'peak 183' 186 49 186 57 c18861_2m1f 1 164 'peak 205' 187 49 187 57 c18861_2m1f 1 165 'peak 207' 188 49 188 57 c18861_2m1f 1 166 'peak 207' 189 49 189 57 c18861_2m1f 1 167 'peak 218' 190 49 190 57 c18861_2m1f 1 168 'peak 249' 191 49 191 57 c18861_2m1f 1 169 'peak 283' 192 49 192 57 c18861_2m1f 1 170 'peak 292' 193 49 193 57 c18861_2m1f 1 171 'peak 296' 194 49 194 57 c18861_2m1f 1 172 'peak 298' 195 49 195 57 c18861_2m1f 1 173 'peak 301' 196 49 196 57 c18861_2m1f 1 174 'peak 302' 197 49 197 57 c18861_2m1f 1 175 'peak 315' 198 49 198 57 c18861_2m1f 1 176 'peak 323' 199 49 199 57 c18861_2m1f 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 10 1 "Not handling restraint 10, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" c18861_2m1f 1 2 3 20 1 "Not handling restraint 20, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" c18861_2m1f 1 3 3 28 1 "Not handling restraint 28, item 1, resonance(s) ' .13.QB2' (nmrStar names) not linked" c18861_2m1f 1 4 3 30 1 "Not handling restraint 30, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c18861_2m1f 1 5 3 34 1 "Not handling restraint 34, item 1, resonance(s) ' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 6 3 39 1 "Not handling restraint 39, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" c18861_2m1f 1 7 3 45 1 "Not handling restraint 45, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c18861_2m1f 1 8 3 67 1 "Not handling restraint 67, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c18861_2m1f 1 9 3 86 1 "Not handling restraint 86, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c18861_2m1f 1 10 3 98 1 "Not handling restraint 98, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c18861_2m1f 1 11 3 102 1 "Not handling restraint 102, item 1, resonance(s) ' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 12 3 109 1 "Not handling restraint 109, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" c18861_2m1f 1 13 3 114 1 "Not handling restraint 114, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c18861_2m1f 1 14 3 115 1 "Not handling restraint 115, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" c18861_2m1f 1 15 3 116 1 "Not handling restraint 116, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" c18861_2m1f 1 16 3 117 1 "Not handling restraint 117, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c18861_2m1f 1 17 3 118 1 "Not handling restraint 118, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c18861_2m1f 1 18 3 120 1 "Not handling restraint 120, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" c18861_2m1f 1 19 3 121 1 "Not handling restraint 121, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c18861_2m1f 1 20 3 123 1 "Not handling restraint 123, item 1, resonance(s) ' .9.QB1' (nmrStar names) not linked" c18861_2m1f 1 21 3 126 1 "Not handling restraint 126, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" c18861_2m1f 1 22 3 129 1 "Not handling restraint 129, item 1, resonance(s) ' .9.QB1' (nmrStar names) not linked" c18861_2m1f 1 23 3 140 1 "Not handling restraint 140, item 1, resonance(s) ' .9.QB1' (nmrStar names) not linked" c18861_2m1f 1 24 3 149 1 "Not handling restraint 149, item 1, resonance(s) ' .3.QB1' (nmrStar names) not linked" c18861_2m1f 1 25 3 154 1 "Not handling restraint 154, item 1, resonance(s) ' .9.QB1' (nmrStar names) not linked" c18861_2m1f 1 26 3 155 1 "Not handling restraint 155, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c18861_2m1f 1 27 3 156 1 "Not handling restraint 156, item 1, resonance(s) ' .13.QB2' (nmrStar names) not linked" c18861_2m1f 1 28 3 158 1 "Not handling restraint 158, item 1, resonance(s) ' .13.QB2' (nmrStar names),' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 29 3 159 1 "Not handling restraint 159, item 1, resonance(s) ' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 30 3 159 1 "Not handling restraint 159, item 1, resonance(s) ' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 31 3 160 1 "Not handling restraint 160, item 1, resonance(s) ' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 32 3 161 1 "Not handling restraint 161, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" c18861_2m1f 1 33 3 161 1 "Not handling restraint 161, item 1, resonance(s) ' .6.QG1' (nmrStar names) not linked" c18861_2m1f 1 34 3 164 1 "Not handling restraint 164, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c18861_2m1f 1 35 3 164 1 "Not handling restraint 164, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c18861_2m1f 1 36 3 176 1 "Not handling restraint 176, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c18861_2m1f 1 37 3 179 1 "Not handling restraint 179, item 1, resonance(s) ' .13.QB2' (nmrStar names) not linked" c18861_2m1f 1 38 3 180 1 "Not handling restraint 180, item 1, resonance(s) ' .13.QB2' (nmrStar names) not linked" c18861_2m1f 1 39 3 181 1 "Not handling restraint 181, item 1, resonance(s) ' .13.QB2' (nmrStar names) not linked" c18861_2m1f 1 40 3 184 1 "Not handling restraint 184, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" c18861_2m1f 1 41 3 185 1 "Not handling restraint 185, item 1, resonance(s) ' .15.QB1' (nmrStar names),' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 42 3 186 1 "Not handling restraint 186, item 1, resonance(s) ' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 43 3 186 1 "Not handling restraint 186, item 1, resonance(s) ' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 44 3 187 1 "Not handling restraint 187, item 1, resonance(s) ' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 45 3 187 1 "Not handling restraint 187, item 1, resonance(s) ' .13.QG1' (nmrStar names) not linked" c18861_2m1f 1 46 3 190 1 "Not handling restraint 190, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c18861_2m1f 1 47 3 191 1 "Not handling restraint 191, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c18861_2m1f 1 48 3 192 1 "Not handling restraint 192, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c18861_2m1f 1 49 3 193 1 "Not handling restraint 193, item 1, resonance(s) ' .9.QB1' (nmrStar names) not linked" c18861_2m1f 1 50 3 194 1 "Not handling restraint 194, item 1, resonance(s) ' .6.QG1' (nmrStar names),' .9.QB1' (nmrStar names) not linked" c18861_2m1f 1 51 3 196 1 "Not handling restraint 196, item 1, resonance(s) ' .15.QB1' (nmrStar names) not linked" c18861_2m1f 1 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID c18861_2m1f _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 5 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 . . . . c18861_2m1f 2 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 5 5 ABA H H . . . 1 1 1 1 ACE O O . . . . . . . 2.3 . . . . . A . 5 AIB H . . A . 1 ACE O . . . 5 AIB H . . . . . 1 ACE O . . c18861_2m1f 2 2 1 . . 1 1 1 1 ACE O O . . . 1 1 5 5 ABA N N . . . . . . . 3.3 . . . . . A . 1 ACE O . . A . 5 AIB N . . . 1 ACE O . . . . . 5 AIB N . . c18861_2m1f 2 3 1 . . 1 1 6 6 Div H H . . . 1 1 2 2 PHE O O . . . . . . . 2.5 . . . . . A . 6 DIV H . . A . 2 PHE O . . . 6 DIV H . . . . . 2 PHE O . . c18861_2m1f 2 4 1 . . 1 1 2 2 PHE O O . . . 1 1 6 6 Div N N . . . . . . . 3.5 . . . . . A . 2 PHE O . . A . 6 DIV N . . . 2 PHE O . . . . . 6 DIV N . . c18861_2m1f 2 5 1 . . 1 1 6 6 Div H H . . . 1 1 3 3 ABA O O . . . . . . . 2.5 . . . . . A . 6 DIV H . . A . 3 AIB O . . . 6 DIV H . . . . . 3 AIB O . . c18861_2m1f 2 6 1 . . 1 1 6 6 Div N N . . . 1 1 3 3 ABA O O . . . . . . . 3.5 . . . . . A . 6 DIV N . . A . 3 AIB O . . . 6 DIV N . . . . . 3 AIB O . . c18861_2m1f 2 7 1 . . 1 1 7 7 GLY H H . . . 1 1 4 4 ABA O O . . . . . . . 2.3 . . . . . A . 7 GLY H . . A . 4 AIB O . . . 7 GLY H . . . . . 4 AIB O . . c18861_2m1f 2 8 1 . . 1 1 4 4 ABA O O . . . 1 1 7 7 GLY N N . . . . . . . 3.3 . . . . . A . 4 AIB O . . A . 7 GLY N . . . 4 AIB O . . . . . 7 GLY N . . c18861_2m1f 2 9 1 . . 1 1 8 8 LEU H H . . . 1 1 5 5 ABA O O . . . . . . . 2.3 . . . . . A . 8 LEU H . . A . 5 AIB O . . . 8 LEU H . . . . . 5 AIB O . . c18861_2m1f 2 10 1 . . 1 1 5 5 ABA O O . . . 1 1 8 8 LEU N N . . . . . . . 3.3 . . . . . A . 5 AIB O . . A . 8 LEU N . . . 5 AIB O . . . . . 8 LEU N . . c18861_2m1f 2 11 1 . . 1 1 9 9 ABA H H . . . 1 1 6 6 Div O O . . . . . . . 2.3 . . . . . A . 9 AIB H . . A . 6 DIV O . . . 9 AIB H . . . . . 6 DIV O . . c18861_2m1f 2 12 1 . . 1 1 6 6 Div O O . . . 1 1 9 9 ABA N N . . . . . . . 3.3 . . . . . A . 6 DIV O . . A . 9 AIB N . . . 6 DIV O . . . . . 9 AIB N . . c18861_2m1f 2 13 1 . . 1 1 10 10 ABA H H . . . 1 1 6 6 Div O O . . . . . . . 2.5 . . . . . A . 10 AIB H . . A . 6 DIV O . . . 10 AIB H . . . . . 6 DIV O . . c18861_2m1f 2 14 1 . . 1 1 6 6 Div O O . . . 1 1 10 10 ABA N N . . . . . . . 3.5 . . . . . A . 6 DIV O . . A . 10 AIB N . . . 6 DIV O . . . . . 10 AIB N . . c18861_2m1f 2 15 1 . . 1 1 10 10 ABA H H . . . 1 1 7 7 GLY O O . . . . . . . 2.5 . . . . . A . 10 AIB H . . A . 7 GLY O . . . 10 AIB H . . . . . 7 GLY O . . c18861_2m1f 2 16 1 . . 1 1 10 10 ABA N N . . . 1 1 7 7 GLY O O . . . . . . . 3.5 . . . . . A . 10 AIB N . . A . 7 GLY O . . . 10 AIB N . . . . . 7 GLY O . . c18861_2m1f 2 17 1 . . 1 1 12 12 GLN H H . . . 1 1 9 9 ABA O O . . . . . . . 2.3 . . . . . A . 12 GLN H . . A . 9 AIB O . . . 12 GLN H . . . . . 9 AIB O . . c18861_2m1f 2 18 1 . . 1 1 9 9 ABA O O . . . 1 1 12 12 GLN N N . . . . . . . 3.3 . . . . . A . 9 AIB O . . A . 12 GLN N . . . 9 AIB O . . . . . 12 GLN N . . c18861_2m1f 2 19 1 . . 1 1 13 13 Div H H . . . 1 1 10 10 ABA O O . . . . . . . 2.3 . . . . . A . 13 DIV H . . A . 10 AIB O . . . 13 DIV H . . . . . 10 AIB O . . c18861_2m1f 2 20 1 . . 1 1 10 10 ABA O O . . . 1 1 13 13 Div N N . . . . . . . 3.3 . . . . . A . 10 AIB O . . A . 13 DIV N . . . 10 AIB O . . . . . 13 DIV N . . c18861_2m1f 2 21 1 . . 1 1 15 15 ABA H H . . . 1 1 12 12 GLN O O . . . . . . . 2.3 . . . . . A . 15 AIB H . . A . 12 GLN O . . . 15 AIB H . . . . . 12 GLN O . . c18861_2m1f 2 22 1 . . 1 1 12 12 GLN O O . . . 1 1 15 15 ABA N N . . . . . . . 3.3 . . . . . A . 12 GLN O . . A . 15 AIB N . . . 12 GLN O . . . . . 15 AIB N . . c18861_2m1f 2 23 1 . . 1 1 17 17 PHL H H . . . 1 1 14 14 HYP O O . . . . . . . 2.3 . . . . . A . 17 PHL H . . A . 14 HYP O . . . 17 PHL H . . . . . 14 HYP O . . c18861_2m1f 2 24 1 . . 1 1 14 14 HYP O O . . . 1 1 17 17 PHL N N . . . . . . . 3.3 . . . . . A . 14 HYP O . . A . 17 PHL N . . . 14 HYP O . . . . . 17 PHL N . . c18861_2m1f 2 25 1 . . 1 1 5 5 ABA H H . . . 1 1 1 1 ACE O O . . . . . . . 1.8 . . . . . A . 5 AIB H . . A . 1 ACE O . . . 5 AIB H . . . . . 1 ACE O . . c18861_2m1f 2 26 1 . . 1 1 1 1 ACE O O . . . 1 1 5 5 ABA N N . . . . . . . 2.7 . . . . . A . 1 ACE O . . A . 5 AIB N . . . 1 ACE O . . . . . 5 AIB N . . c18861_2m1f 2 27 1 . . 1 1 6 6 Div H H . . . 1 1 2 2 PHE O O . . . . . . . 1.8 . . . . . A . 6 DIV H . . A . 2 PHE O . . . 6 DIV H . . . . . 2 PHE O . . c18861_2m1f 2 28 1 . . 1 1 2 2 PHE O O . . . 1 1 6 6 Div N N . . . . . . . 2.7 . . . . . A . 2 PHE O . . A . 6 DIV N . . . 2 PHE O . . . . . 6 DIV N . . c18861_2m1f 2 29 1 . . 1 1 6 6 Div H H . . . 1 1 3 3 ABA O O . . . . . . . 1.8 . . . . . A . 6 DIV H . . A . 3 AIB O . . . 6 DIV H . . . . . 3 AIB O . . c18861_2m1f 2 30 1 . . 1 1 6 6 Div N N . . . 1 1 3 3 ABA O O . . . . . . . 2.7 . . . . . A . 6 DIV N . . A . 3 AIB O . . . 6 DIV N . . . . . 3 AIB O . . c18861_2m1f 2 31 1 . . 1 1 7 7 GLY H H . . . 1 1 4 4 ABA O O . . . . . . . 1.8 . . . . . A . 7 GLY H . . A . 4 AIB O . . . 7 GLY H . . . . . 4 AIB O . . c18861_2m1f 2 32 1 . . 1 1 4 4 ABA O O . . . 1 1 7 7 GLY N N . . . . . . . 2.7 . . . . . A . 4 AIB O . . A . 7 GLY N . . . 4 AIB O . . . . . 7 GLY N . . c18861_2m1f 2 33 1 . . 1 1 8 8 LEU H H . . . 1 1 5 5 ABA O O . . . . . . . 1.8 . . . . . A . 8 LEU H . . A . 5 AIB O . . . 8 LEU H . . . . . 5 AIB O . . c18861_2m1f 2 34 1 . . 1 1 5 5 ABA O O . . . 1 1 8 8 LEU N N . . . . . . . 2.7 . . . . . A . 5 AIB O . . A . 8 LEU N . . . 5 AIB O . . . . . 8 LEU N . . c18861_2m1f 2 35 1 . . 1 1 9 9 ABA H H . . . 1 1 6 6 Div O O . . . . . . . 1.8 . . . . . A . 9 AIB H . . A . 6 DIV O . . . 9 AIB H . . . . . 6 DIV O . . c18861_2m1f 2 36 1 . . 1 1 6 6 Div O O . . . 1 1 9 9 ABA N N . . . . . . . 2.7 . . . . . A . 6 DIV O . . A . 9 AIB N . . . 6 DIV O . . . . . 9 AIB N . . c18861_2m1f 2 37 1 . . 1 1 10 10 ABA H H . . . 1 1 6 6 Div O O . . . . . . . 1.8 . . . . . A . 10 AIB H . . A . 6 DIV O . . . 10 AIB H . . . . . 6 DIV O . . c18861_2m1f 2 38 1 . . 1 1 6 6 Div O O . . . 1 1 10 10 ABA N N . . . . . . . 2.7 . . . . . A . 6 DIV O . . A . 10 AIB N . . . 6 DIV O . . . . . 10 AIB N . . c18861_2m1f 2 39 1 . . 1 1 10 10 ABA H H . . . 1 1 7 7 GLY O O . . . . . . . 1.8 . . . . . A . 10 AIB H . . A . 7 GLY O . . . 10 AIB H . . . . . 7 GLY O . . c18861_2m1f 2 40 1 . . 1 1 10 10 ABA N N . . . 1 1 7 7 GLY O O . . . . . . . 2.7 . . . . . A . 10 AIB N . . A . 7 GLY O . . . 10 AIB N . . . . . 7 GLY O . . c18861_2m1f 2 41 1 . . 1 1 12 12 GLN H H . . . 1 1 9 9 ABA O O . . . . . . . 1.8 . . . . . A . 12 GLN H . . A . 9 AIB O . . . 12 GLN H . . . . . 9 AIB O . . c18861_2m1f 2 42 1 . . 1 1 9 9 ABA O O . . . 1 1 12 12 GLN N N . . . . . . . 2.7 . . . . . A . 9 AIB O . . A . 12 GLN N . . . 9 AIB O . . . . . 12 GLN N . . c18861_2m1f 2 43 1 . . 1 1 13 13 Div H H . . . 1 1 10 10 ABA O O . . . . . . . 1.8 . . . . . A . 13 DIV H . . A . 10 AIB O . . . 13 DIV H . . . . . 10 AIB O . . c18861_2m1f 2 44 1 . . 1 1 10 10 ABA O O . . . 1 1 13 13 Div N N . . . . . . . 2.7 . . . . . A . 10 AIB O . . A . 13 DIV N . . . 10 AIB O . . . . . 13 DIV N . . c18861_2m1f 2 45 1 . . 1 1 15 15 ABA H H . . . 1 1 12 12 GLN O O . . . . . . . 1.8 . . . . . A . 15 AIB H . . A . 12 GLN O . . . 15 AIB H . . . . . 12 GLN O . . c18861_2m1f 2 46 1 . . 1 1 12 12 GLN O O . . . 1 1 15 15 ABA N N . . . . . . . 2.7 . . . . . A . 12 GLN O . . A . 15 AIB N . . . 12 GLN O . . . . . 15 AIB N . . c18861_2m1f 2 47 1 . . 1 1 17 17 PHL H H . . . 1 1 14 14 HYP O O . . . . . . . 1.8 . . . . . A . 17 PHL H . . A . 14 HYP O . . . 17 PHL H . . . . . 14 HYP O . . c18861_2m1f 2 48 1 . . 1 1 14 14 HYP O O . . . 1 1 17 17 PHL N N . . . . . . . 2.7 . . . . . A . 14 HYP O . . A . 17 PHL N . . . 14 HYP O . . . . . 17 PHL N . . c18861_2m1f 2 stop_ save_ save_DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Entry_ID c18861_2m1f _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c18861_2m1f 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI . 1 1 1 1 ACE C C . . 1 1 2 2 PHE N N . . 1 1 2 2 PHE CA C . . 1 1 2 2 PHE C C . -80.0 -40.0 . . . A . 1 ACE C . . A . 2 PHE N . . A . 2 PHE CA . . A . 2 PHE C . . . 2 PHE . . . . . . 2 PHE . . . . . . 2 PHE . . . . . . 2 PHE . . . c18861_2m1f 1 2 PHI . 1 1 7 7 GLY C C . . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU C C . -110.0 -50.0 . . . A . 7 GLY C . . A . 8 LEU N . . A . 8 LEU CA . . A . 8 LEU C . . . 8 LEU . . . . . . 8 LEU . . . . . . 8 LEU . . . . . . 8 LEU . . . c18861_2m1f 1 3 PHI . 1 1 11 11 HYP C C . . 1 1 12 12 GLN N N . . 1 1 12 12 GLN CA C . . 1 1 12 12 GLN C C . -140.0 -80.0 . . . A . 11 HYP C . . A . 12 GLN N . . A . 12 GLN CA . . A . 12 GLN C . . . 12 GLN . . . . . . 12 GLN . . . . . . 12 GLN . . . . . . 12 GLN . . . c18861_2m1f 1 stop_ save_ save_DYANA/DIANA_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_4 _Torsion_angle_constraint_list.Entry_ID c18861_2m1f _Torsion_angle_constraint_list.ID 2 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c18861_2m1f 2 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 CHI1 . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU CB C . . 1 1 8 8 LEU CG C . -90.0 90.0 . . . A . 8 LEU N . . A . 8 LEU CA . . A . 8 LEU CB . . A . 8 LEU CG . . . 8 LEU . . . . . . 8 LEU . . . . . . 8 LEU . . . . . . 8 LEU . . . c18861_2m1f 2 2 CHI1 . 1 1 2 2 PHE N N . . 1 1 2 2 PHE CA C . . 1 1 2 2 PHE CB C . . 1 1 2 2 PHE CG C . 150.0 210.0 . . . A . 2 PHE N . . A . 2 PHE CA . . A . 2 PHE CB . . A . 2 PHE CG . . . 2 PHE . . . . . . 2 PHE . . . . . . 2 PHE . . . . . . 2 PHE . . . c18861_2m1f 2 3 CHI1 . 1 1 12 12 GLN N N . . 1 1 12 12 GLN CA C . . 1 1 12 12 GLN CB C . . 1 1 12 12 GLN CG C . -90.0 -30.0 . . . A . 12 GLN N . . A . 12 GLN CA . . A . 12 GLN CB . . A . 12 GLN CG . . . 12 GLN . . . . . . 12 GLN . . . . . . 12 GLN . . . . . . 12 GLN . . . c18861_2m1f 2 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 c18861_2m1f _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 ANTIBIOTIC 27-NOV-12 2M1F *TITLE NMR STRUCTURE OF ANTIAMOEBIN I (PEPTAIBOL ANTIBIOTIC) BOUND TO *TITLE 2 DMPC/DHPC BICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ANTIAMOEBIN I; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLOPSIS MINIMA; *SOURCE 3 ORGANISM_TAXID: 45245 *KEYWDS MEMBRANE-ACTIVE, PEPTAIBOL, ANTIBIOTIC *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR Z.O.SHENKAREV, A.S.PARAMONOV, A.K.GIZATULLINA *REVDAT 1 12-DEC-12 2M1F 0' save_