data_c30361_6bes ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30361_6bes _Entry.Title ; Solution structure of de novo macrocycle design11_ss ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-25 _Entry.Accession_date 2017-10-25 _Entry.Last_release_date 2017-12-21 _Entry.Original_release_date 2017-12-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.10 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 M. Shortridge M. D. . . c30361_6bes 2 P. Hosseinzadeh P. . . . c30361_6bes 3 F. Pardo-Avila F. . . . c30361_6bes 4 G. Varani G. . . . c30361_6bes 5 D. Baker D. . . . c30361_6bes stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . c30361_6bes 'de novo' . c30361_6bes macrocycle . c30361_6bes stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30361_6bes stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 57 c30361_6bes 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 . . 2017-12-26 . original BMRB . c30361_6bes stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BES 'BMRB Entry Tracking System' c30361_6bes stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30361_6bes _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1126/science.aap7577 _Citation.PubMed_ID 29242347 _Citation.Full_citation . _Citation.Title ; Comprehensive computational design of ordered peptide macrocycles. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 358 _Citation.Journal_issue 6369 _Citation.Journal_ASTM SCIEAS _Citation.Journal_ISSN 1095-9203 _Citation.Journal_CSD 0038 _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 1461 _Citation.Page_last 1466 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Hosseinzadeh P. . . . c30361_6bes 1 2 G. Bhardwaj G. . . . c30361_6bes 1 3 V. Mulligan V. K. . . c30361_6bes 1 4 M. Shortridge M. D. . . c30361_6bes 1 5 T. Craven T. W. . . c30361_6bes 1 6 F. Pardo-Avila F. . . . c30361_6bes 1 7 S. Rettie S. A. . . c30361_6bes 1 8 D. Kim D. E. . . c30361_6bes 1 9 D. Silva D. A. . . c30361_6bes 1 10 Y. Ibrahim Y. M. . . c30361_6bes 1 11 I. Webb I. K. . . c30361_6bes 1 12 J. Cort J. R. . . c30361_6bes 1 13 J. Adkins J. N. . . c30361_6bes 1 14 G. Varani G. . . . c30361_6bes 1 15 D. Baker D. . . . c30361_6bes 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30361_6bes _Assembly.ID 1 _Assembly.Name (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN) _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity_1 1 $entity_1 A A yes . . . . . . c30361_6bes 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30361_6bes _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XQXXXDSXXPX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1198.327 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . DAL . c30361_6bes 1 2 . GLN . c30361_6bes 1 3 . DPR . c30361_6bes 1 4 . DCY . c30361_6bes 1 5 . DLY . c30361_6bes 1 6 . ASP . c30361_6bes 1 7 . SER . c30361_6bes 1 8 . DTY . c30361_6bes 1 9 . DCY . c30361_6bes 1 10 . PRO . c30361_6bes 1 11 . DSN . c30361_6bes 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 . DAL 1 1 c30361_6bes 1 . GLN 2 2 c30361_6bes 1 . DPR 3 3 c30361_6bes 1 . DCY 4 4 c30361_6bes 1 . DLY 5 5 c30361_6bes 1 . ASP 6 6 c30361_6bes 1 . SER 7 7 c30361_6bes 1 . DTY 8 8 c30361_6bes 1 . DCY 9 9 c30361_6bes 1 . PRO 10 10 c30361_6bes 1 . DSN 11 11 c30361_6bes 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 c30361_6bes _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c30361_6bes 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 c30361_6bes _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c30361_6bes 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DCY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DCY _Chem_comp.Entry_ID c30361_6bes _Chem_comp.ID DCY _Chem_comp.Provenance PDB _Chem_comp.Name D-CYSTEINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DCY _Chem_comp.PDB_code DCY _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 C _Chem_comp.Three_letter_code DCY _Chem_comp.Number_atoms_all 14 _Chem_comp.Number_atoms_nh 7 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/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 'C3 H7 N O2 S' _Chem_comp.Formula_weight 121.158 _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 1F57 _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 C(C(C(=O)O)N)S SMILES 'OpenEye OEToolkits' 1.5.0 c30361_6bes DCY C([C@H](C(=O)O)N)S SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30361_6bes DCY InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1 InChI InChI 1.03 c30361_6bes DCY N[C@H](CS)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30361_6bes DCY N[CH](CS)C(O)=O SMILES CACTVS 3.341 c30361_6bes DCY O=C(O)C(N)CS SMILES ACDLabs 10.04 c30361_6bes DCY XUJNEKJLAYXESH-UWTATZPHSA-N InChIKey InChI 1.03 c30361_6bes DCY 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-sulfanyl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30361_6bes DCY D-cysteine 'SYSTEMATIC NAME' ACDLabs 10.04 c30361_6bes DCY 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 N N N N . N . . N 0 . . . 1 no no . . . . 10.380 . -11.139 . 23.139 . 1.592 0.453 0.079 1 . c30361_6bes DCY CA CA CA CA . C . . S 0 . . . 1 no no . . . . 9.835 . -9.750 . 23.203 . 0.145 0.444 -0.175 2 . c30361_6bes DCY C C C C . C . . N 0 . . . 1 no no . . . . 9.754 . -9.262 . 24.656 . -0.113 -0.000 -1.591 3 . c30361_6bes DCY O O O O . O . . N 0 . . . 1 no no . . . . 9.179 . -8.183 . 24.900 . 0.649 -0.765 -2.133 4 . c30361_6bes DCY CB CB CB CB . C . . N 0 . . . 1 no no . . . . 10.742 . -8.821 . 22.398 . -0.537 -0.521 0.795 5 . c30361_6bes DCY SG SG SG SG . S . . N 0 . . . 1 no no . . . . 12.422 . -8.587 . 23.046 . -0.226 0.014 2.500 6 . c30361_6bes DCY OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 10.282 . -9.969 . 25.533 . -1.190 0.452 -2.251 7 . c30361_6bes DCY H H H H . H . . N 0 . . . 1 no no . . . . 10.433 . -11.463 . 22.173 . 2.010 1.018 -0.644 8 . c30361_6bes DCY H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 9.845 . -11.781 . 23.723 . 1.917 -0.491 -0.065 9 . c30361_6bes DCY HA HA HA HA . H . . N 0 . . . 1 no no . . . . 8.805 . -9.745 . 22.774 . -0.255 1.447 -0.030 10 . c30361_6bes DCY HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 10.790 . -9.164 . 21.338 . -1.610 -0.527 0.606 11 . c30361_6bes DCY HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 10.246 . -7.830 . 22.265 . -0.137 -1.525 0.651 12 . c30361_6bes DCY HG HG HG HG . H . . N 0 . . . 1 no no . . . . 12.986 . -8.009 . 22.545 . -0.893 -0.942 3.171 13 . c30361_6bes DCY HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 10.231 . -9.667 . 26.432 . -1.356 0.166 -3.160 14 . c30361_6bes DCY 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 . c30361_6bes DCY 2 . SING N H no N 2 . c30361_6bes DCY 3 . SING N H2 no N 3 . c30361_6bes DCY 4 . SING CA C no N 4 . c30361_6bes DCY 5 . SING CA CB no N 5 . c30361_6bes DCY 6 . SING CA HA no N 6 . c30361_6bes DCY 7 . DOUB C O no N 7 . c30361_6bes DCY 8 . SING C OXT no N 8 . c30361_6bes DCY 9 . SING CB SG no N 9 . c30361_6bes DCY 10 . SING CB HB2 no N 10 . c30361_6bes DCY 11 . SING CB HB3 no N 11 . c30361_6bes DCY 12 . SING SG HG no N 12 . c30361_6bes DCY 13 . SING OXT HXT no N 13 . c30361_6bes DCY stop_ save_ save_chem_comp_DLY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DLY _Chem_comp.Entry_ID c30361_6bes _Chem_comp.ID DLY _Chem_comp.Provenance PDB _Chem_comp.Name D-LYSINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DLY _Chem_comp.PDB_code DLY _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 K _Chem_comp.Three_letter_code DLY _Chem_comp.Number_atoms_all 24 _Chem_comp.Number_atoms_nh 10 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/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 'C6 H14 N2 O2' _Chem_comp.Formula_weight 146.188 _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 1C4B _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 C(CCN)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30361_6bes DLY C(CCN)C[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30361_6bes DLY InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1 InChI InChI 1.03 c30361_6bes DLY KDXKERNSBIXSRK-RXMQYKEDSA-N InChIKey InChI 1.03 c30361_6bes DLY NCCCC[C@@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30361_6bes DLY NCCCC[CH](N)C(O)=O SMILES CACTVS 3.341 c30361_6bes DLY O=C(O)C(N)CCCCN SMILES ACDLabs 10.04 c30361_6bes DLY 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)-2,6-diaminohexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30361_6bes DLY D-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 c30361_6bes DLY 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 N N N N . N . . N 0 . . . 1 no no . . . . 1.958 . -1.185 . 0.419 . 1.770 0.232 -1.331 1 . c30361_6bes DLY CA CA CA CA . C . . R 0 . . . 1 no no . . . . 2.544 . 0.113 . 0.712 . 0.326 0.498 -1.348 2 . c30361_6bes DLY C C C C . C . . N 0 . . . 1 no no . . . . 1.902 . 1.172 . -0.185 . -0.271 -0.054 -2.616 3 . c30361_6bes DLY O O O O . O . . N 0 . . . 1 no no . . . . 0.678 . 1.242 . -0.292 . 0.220 -1.024 -3.143 4 . c30361_6bes DLY CB CB CB CB . C . . N 0 . . . 1 no no . . . . 2.435 . 0.424 . 2.206 . -0.329 -0.173 -0.140 5 . c30361_6bes DLY CG CG CG CG . C . . N 0 . . . 1 no no . . . . 2.618 . -0.842 . 3.046 . 0.277 0.387 1.147 6 . c30361_6bes DLY CD CD CD CD . C . . N 0 . . . 1 no no . . . . 1.297 . -1.601 . 3.190 . -0.378 -0.283 2.355 7 . c30361_6bes DLY CE CE CE CE . C . . N 0 . . . 1 no no . . . . 1.544 . -3.098 . 3.389 . 0.228 0.277 3.642 8 . c30361_6bes DLY NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . 1.361 . -3.467 . 4.810 . -0.401 -0.367 4.802 9 . c30361_6bes DLY OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 2.756 . 1.971 . -0.809 . -1.350 0.530 -3.160 10 . c30361_6bes DLY H H H H . H . . N 0 . . . 1 no no . . . . 0.978 . -1.170 . 0.222 . 2.143 0.602 -2.193 11 . c30361_6bes DLY H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 2.024 . -1.424 . -0.570 . 1.882 -0.769 -1.373 12 . c30361_6bes DLY HA HA HA HA . H . . N 0 . . . 1 no no . . . . 3.606 . 0.053 . 0.471 . 0.153 1.573 -1.304 13 . c30361_6bes DLY HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 1.462 . 0.868 . 2.419 . -0.157 -1.248 -0.184 14 . c30361_6bes DLY HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 3.189 . 1.161 . 2.484 . -1.401 0.023 -0.152 15 . c30361_6bes DLY HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 2.999 . -0.577 . 4.031 . 0.104 1.463 1.191 16 . c30361_6bes DLY HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 3.363 . -1.486 . 2.579 . 1.349 0.191 1.159 17 . c30361_6bes DLY HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 0.685 . -1.444 . 2.301 . -0.206 -1.359 2.311 18 . c30361_6bes DLY HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 0.737 . -1.204 . 4.036 . -1.450 -0.087 2.343 19 . c30361_6bes DLY HE2 HE2 HE2 1HE . H . . N 0 . . . 1 no no . . . . 2.554 . -3.352 . 3.067 . 0.055 1.352 3.686 20 . c30361_6bes DLY HE3 HE3 HE3 2HE . H . . N 0 . . . 1 no no . . . . 0.857 . -3.671 . 2.766 . 1.300 0.080 3.655 21 . c30361_6bes DLY HZ1 HZ1 HZ1 1HZ . H . . N 0 . . . 1 no no . . . . 0.413 . -3.297 . 5.129 . 0.027 0.031 5.624 22 . c30361_6bes DLY HZ2 HZ2 HZ2 2HZ . H . . N 0 . . . 1 no no . . . . 1.976 . -2.941 . 5.422 . -1.367 -0.074 4.808 23 . c30361_6bes DLY HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 2.357 . 2.628 . -1.366 . -1.734 0.175 -3.974 24 . c30361_6bes DLY 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 . c30361_6bes DLY 2 . SING N H no N 2 . c30361_6bes DLY 3 . SING N H2 no N 3 . c30361_6bes DLY 4 . SING CA C no N 4 . c30361_6bes DLY 5 . SING CA CB no N 5 . c30361_6bes DLY 6 . SING CA HA no N 6 . c30361_6bes DLY 7 . DOUB C O no N 7 . c30361_6bes DLY 8 . SING C OXT no N 8 . c30361_6bes DLY 9 . SING CB CG no N 9 . c30361_6bes DLY 10 . SING CB HB2 no N 10 . c30361_6bes DLY 11 . SING CB HB3 no N 11 . c30361_6bes DLY 12 . SING CG CD no N 12 . c30361_6bes DLY 13 . SING CG HG2 no N 13 . c30361_6bes DLY 14 . SING CG HG3 no N 14 . c30361_6bes DLY 15 . SING CD CE no N 15 . c30361_6bes DLY 16 . SING CD HD2 no N 16 . c30361_6bes DLY 17 . SING CD HD3 no N 17 . c30361_6bes DLY 18 . SING CE NZ no N 18 . c30361_6bes DLY 19 . SING CE HE2 no N 19 . c30361_6bes DLY 20 . SING CE HE3 no N 20 . c30361_6bes DLY 21 . SING NZ HZ1 no N 21 . c30361_6bes DLY 22 . SING NZ HZ2 no N 22 . c30361_6bes DLY 23 . SING OXT HXT no N 23 . c30361_6bes DLY stop_ save_ save_chem_comp_DPR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPR _Chem_comp.Entry_ID c30361_6bes _Chem_comp.ID DPR _Chem_comp.Provenance PDB _Chem_comp.Name D-PROLINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DPR _Chem_comp.PDB_code DPR _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 DPR _Chem_comp.Number_atoms_all 17 _Chem_comp.Number_atoms_nh 8 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/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 H9 N O2' _Chem_comp.Formula_weight 115.130 _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 yes _Chem_comp.Ideal_coordinates_details Corina _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 C1CC(NC1)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.0 c30361_6bes DPR C1C[C@@H](NC1)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30361_6bes DPR InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 InChI InChI 1.03 c30361_6bes DPR O=C(O)C1NCCC1 SMILES ACDLabs 12.01 c30361_6bes DPR OC(=O)[C@H]1CCCN1 SMILES_CANONICAL CACTVS 3.370 c30361_6bes DPR OC(=O)[CH]1CCCN1 SMILES CACTVS 3.370 c30361_6bes DPR ONIBWKKTOPOVIA-SCSAIBSYSA-N InChIKey InChI 1.03 c30361_6bes DPR 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)-pyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c30361_6bes DPR D-proline 'SYSTEMATIC NAME' ACDLabs 12.01 c30361_6bes DPR 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 N N N N . N . . N 0 . . . 1 no no . . . . -4.206 . 7.451 . -17.843 . 0.814 0.974 0.670 1 . c30361_6bes DPR CA CA CA CA . C . . R 0 . . . 1 no no . . . . -3.893 . 8.671 . -18.566 . -0.014 -0.244 0.598 2 . c30361_6bes DPR CB CB CB CB . C . . N 0 . . . 1 no no . . . . -5.242 . 9.255 . -18.952 . 0.728 -1.247 -0.310 3 . c30361_6bes DPR CG CG CG CG . C . . N 0 . . . 1 no no . . . . -6.239 . 8.113 . -18.840 . 2.199 -0.759 -0.242 4 . c30361_6bes DPR CD CD CD CD . C . . N 0 . . . 1 no no . . . . -5.571 . 6.986 . -18.070 . 2.016 0.777 -0.168 5 . c30361_6bes DPR C C C C . C . . N 0 . . . 1 no no . . . . -2.999 . 8.379 . -19.774 . -1.360 0.086 0.006 6 . c30361_6bes DPR O O O O . O . . N 0 . . . 1 no no . . . . -3.431 . 7.734 . -20.727 . -1.509 1.105 -0.626 7 . c30361_6bes DPR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -2.393 -0.753 0.180 8 . c30361_6bes DPR H H H HT1 . H . . N 0 . . . 1 no yes . . . . -3.576 . 6.736 . -18.147 . 0.293 1.784 0.370 9 . c30361_6bes DPR HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.318 . 9.388 . -17.962 . -0.138 -0.667 1.595 10 . c30361_6bes DPR HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . -5.517 . 10.078 . -18.276 . 0.639 -2.260 0.083 11 . c30361_6bes DPR HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . -5.215 . 9.648 . -19.979 . 0.351 -1.194 -1.331 12 . c30361_6bes DPR HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . -7.140 . 8.451 . -18.307 . 2.695 -1.137 0.653 13 . c30361_6bes DPR HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . -6.527 . 7.765 . -19.843 . 2.747 -1.045 -1.140 14 . c30361_6bes DPR HD2 HD2 HD2 HD1 . H . . N 0 . . . 1 no no . . . . -5.580 . 6.051 . -18.650 . 1.855 1.188 -1.165 15 . c30361_6bes DPR HD3 HD3 HD3 HD2 . H . . N 0 . . . 1 no no . . . . -6.088 . 6.796 . -17.118 . 2.885 1.241 0.299 16 . c30361_6bes DPR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . . . . . . . -3.237 -0.500 -0.219 17 . c30361_6bes DPR 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 . c30361_6bes DPR 2 . SING N CD no N 2 . c30361_6bes DPR 3 . SING N H no N 3 . c30361_6bes DPR 4 . SING CA CB no N 4 . c30361_6bes DPR 5 . SING CA C no N 5 . c30361_6bes DPR 6 . SING CA HA no N 6 . c30361_6bes DPR 7 . SING CB CG no N 7 . c30361_6bes DPR 8 . SING CB HB2 no N 8 . c30361_6bes DPR 9 . SING CB HB3 no N 9 . c30361_6bes DPR 10 . SING CG CD no N 10 . c30361_6bes DPR 11 . SING CG HG2 no N 11 . c30361_6bes DPR 12 . SING CG HG3 no N 12 . c30361_6bes DPR 13 . SING CD HD2 no N 13 . c30361_6bes DPR 14 . SING CD HD3 no N 14 . c30361_6bes DPR 15 . DOUB C O no N 15 . c30361_6bes DPR 16 . SING C OXT no N 16 . c30361_6bes DPR 17 . SING OXT HXT no N 17 . c30361_6bes DPR stop_ save_ save_chem_comp_DSN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DSN _Chem_comp.Entry_ID c30361_6bes _Chem_comp.ID DSN _Chem_comp.Provenance PDB _Chem_comp.Name D-SERINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DSN _Chem_comp.PDB_code DSN _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 S _Chem_comp.Three_letter_code DSN _Chem_comp.Number_atoms_all 14 _Chem_comp.Number_atoms_nh 7 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/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 'C3 H7 N O3' _Chem_comp.Formula_weight 105.093 _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 1BFW _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 C(C(C(=O)O)N)O SMILES 'OpenEye OEToolkits' 1.5.0 c30361_6bes DSN C([C@H](C(=O)O)N)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30361_6bes DSN InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1 InChI InChI 1.03 c30361_6bes DSN MTCFGRXMJLQNBG-UWTATZPHSA-N InChIKey InChI 1.03 c30361_6bes DSN N[C@H](CO)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30361_6bes DSN N[CH](CO)C(O)=O SMILES CACTVS 3.341 c30361_6bes DSN O=C(O)C(N)CO SMILES ACDLabs 10.04 c30361_6bes DSN 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-3-hydroxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30361_6bes DSN D-serine 'SYSTEMATIC NAME' ACDLabs 10.04 c30361_6bes DSN 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 N N N N . N . . N 0 . . . 1 no no . . . . 2.939 . 10.455 . -1.900 . -0.787 -0.923 0.538 1 . c30361_6bes DSN CA CA CA CA . C . . R 0 . . . 1 no no . . . . 2.468 . 11.798 . -2.190 . -0.469 -2.117 -0.207 2 . c30361_6bes DSN C C C C . C . . N 0 . . . 1 no no . . . . 1.876 . 11.853 . -3.600 . -1.299 -2.093 -1.474 3 . c30361_6bes DSN O O O O . O . . N 0 . . . 1 no no . . . . 0.872 . 11.200 . -3.881 . -1.583 -1.087 -2.112 4 . c30361_6bes DSN OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -1.749 -3.331 -1.808 5 . c30361_6bes DSN CB CB CB CB . C . . N 0 . . . 1 no no . . . . 1.430 . 12.251 . -1.161 . 1.014 -2.190 -0.542 6 . c30361_6bes DSN OG OG OG OG . O . . N 0 . . . 1 no no . . . . 1.463 . 11.453 . 0.019 . 1.271 -3.390 -1.262 7 . c30361_6bes DSN H H H H . H . . N 0 . . . 1 no no . . . . 3.333 . 10.418 . -0.960 . -1.409 -0.247 0.132 8 . c30361_6bes DSN H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 3.597 . 10.120 . -2.604 . -0.233 -0.692 1.345 9 . c30361_6bes DSN HA HA HA HA . H . . N 0 . . . 1 no no . . . . 3.337 . 12.493 . -2.132 . -0.782 -2.950 0.431 10 . c30361_6bes DSN HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -0.367 . 0.034 . -0.875 . -2.322 -3.366 -2.604 11 . c30361_6bes DSN HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 1.545 . 13.333 . -0.920 . 1.622 -2.208 0.368 12 . c30361_6bes DSN HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 0.406 . 12.276 . -1.603 . 1.331 -1.339 -1.154 13 . c30361_6bes DSN HG HG HG HOG . H . . N 0 . . . 1 no no . . . . 0.818 . 11.734 . 0.657 . 1.917 -3.168 -1.952 14 . c30361_6bes DSN 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 . c30361_6bes DSN 2 . SING N H no N 2 . c30361_6bes DSN 3 . SING N H2 no N 3 . c30361_6bes DSN 4 . SING CA C no N 4 . c30361_6bes DSN 5 . SING CA CB no N 5 . c30361_6bes DSN 6 . SING CA HA no N 6 . c30361_6bes DSN 7 . DOUB C O no N 7 . c30361_6bes DSN 8 . SING C OXT no N 8 . c30361_6bes DSN 9 . SING OXT HXT no N 9 . c30361_6bes DSN 10 . SING CB OG no N 10 . c30361_6bes DSN 11 . SING CB HB2 no N 11 . c30361_6bes DSN 12 . SING CB HB3 no N 12 . c30361_6bes DSN 13 . SING OG HG no N 13 . c30361_6bes DSN stop_ save_ save_chem_comp_DTY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DTY _Chem_comp.Entry_ID c30361_6bes _Chem_comp.ID DTY _Chem_comp.Provenance PDB _Chem_comp.Name D-TYROSINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DTY _Chem_comp.PDB_code DTY _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 Y _Chem_comp.Three_letter_code DTY _Chem_comp.Number_atoms_all 24 _Chem_comp.Number_atoms_nh 13 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/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 yes _Chem_comp.Formula 'C9 H11 N O3' _Chem_comp.Formula_weight 181.189 _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 1UNO _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 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1 InChI InChI 1.03 c30361_6bes DTY N[C@H](Cc1ccc(O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30361_6bes DTY N[CH](Cc1ccc(O)cc1)C(O)=O SMILES CACTVS 3.341 c30361_6bes DTY O=C(O)C(N)Cc1ccc(O)cc1 SMILES ACDLabs 10.04 c30361_6bes DTY OUYCCCASQSFEME-MRVPVSSYSA-N InChIKey InChI 1.03 c30361_6bes DTY c1cc(ccc1CC(C(=O)O)N)O SMILES 'OpenEye OEToolkits' 1.5.0 c30361_6bes DTY c1cc(ccc1C[C@H](C(=O)O)N)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30361_6bes DTY 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-3-(4-hydroxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30361_6bes DTY D-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 c30361_6bes DTY 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 N N N N . N . . N 0 . . . 1 no no . . . . 15.002 . 26.572 . 23.059 . -0.296 -1.610 1.590 1 . c30361_6bes DTY CA CA CA CA . C . . R 0 . . . 1 no no . . . . 15.181 . 28.008 . 23.305 . 0.975 -1.255 1.008 2 . c30361_6bes DTY C C C C . C . . N 0 . . . 1 no no . . . . 14.189 . 28.380 . 24.410 . 1.898 -2.463 0.937 3 . c30361_6bes DTY O O O O . O . . N 0 . . . 1 no no . . . . 14.474 . 28.388 . 25.601 . 1.493 -3.601 0.722 4 . c30361_6bes DTY CB CB CB CB . C . . N 0 . . . 1 no no . . . . 16.589 . 28.351 . 23.732 . 0.799 -0.646 -0.389 5 . c30361_6bes DTY CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 16.799 . 29.859 . 23.675 . 1.976 0.199 -0.815 6 . c30361_6bes DTY CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . 16.896 . 30.486 . 22.435 . 1.983 1.552 -0.517 7 . c30361_6bes DTY CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 16.885 . 30.615 . 24.838 . 3.026 -0.394 -1.496 8 . c30361_6bes DTY CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 17.090 . 31.846 . 22.315 . 3.070 2.333 -0.911 9 . c30361_6bes DTY CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . 17.074 . 31.987 . 24.703 . 4.113 0.387 -1.891 10 . c30361_6bes DTY CZ CZ CZ CZ . C . . N 0 . . . 1 yes no . . . . 17.181 . 32.596 . 23.478 . 4.135 1.750 -1.598 11 . c30361_6bes DTY OH OH OH OH . O . . N 0 . . . 1 no no . . . . 17.368 . 33.952 . 23.346 . 5.194 2.513 -1.984 12 . c30361_6bes DTY OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . 3.211 -2.187 1.120 13 . c30361_6bes DTY H H H H . H . . N 0 . . . 1 no no . . . . 15.663 . 26.324 . 22.322 . -1.096 -1.030 1.404 14 . c30361_6bes DTY H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 14.039 . 26.314 . 22.842 . -0.321 -2.297 2.324 15 . c30361_6bes DTY HA HA HA HA . H . . N 0 . . . 1 no no . . . . 14.999 . 28.579 . 22.364 . 1.437 -0.541 1.700 16 . c30361_6bes DTY HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 16.834 . 27.932 . 24.736 . 0.660 -1.437 -1.137 17 . c30361_6bes DTY HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 17.352 . 27.800 . 23.134 . -0.121 -0.047 -0.427 18 . c30361_6bes DTY HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . 16.816 . 29.883 . 21.514 . 1.158 2.015 0.018 19 . c30361_6bes DTY HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . 16.806 . 30.143 . 25.831 . 3.018 -1.456 -1.729 20 . c30361_6bes DTY HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 17.169 . 32.318 . 21.321 . 3.080 3.395 -0.680 21 . c30361_6bes DTY HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 17.141 . 32.618 . 25.604 . 4.939 -0.073 -2.426 22 . c30361_6bes DTY HH HH HH HH . H . . N 0 . . . 1 no no . . . . 17.430 . 34.465 . 24.142 . 5.722 2.770 -1.211 23 . c30361_6bes DTY HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -0.615 . 0.230 . 0.685 . 3.807 -2.964 1.068 24 . c30361_6bes DTY 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 . c30361_6bes DTY 2 . SING N H no N 2 . c30361_6bes DTY 3 . SING N H2 no N 3 . c30361_6bes DTY 4 . SING CA C no N 4 . c30361_6bes DTY 5 . SING CA CB no N 5 . c30361_6bes DTY 6 . SING CA HA no N 6 . c30361_6bes DTY 7 . DOUB C O no N 7 . c30361_6bes DTY 8 . SING C OXT no N 8 . c30361_6bes DTY 9 . SING CB CG no N 9 . c30361_6bes DTY 10 . SING CB HB2 no N 10 . c30361_6bes DTY 11 . SING CB HB3 no N 11 . c30361_6bes DTY 12 . DOUB CG CD1 yes N 12 . c30361_6bes DTY 13 . SING CG CD2 yes N 13 . c30361_6bes DTY 14 . SING CD1 CE1 yes N 14 . c30361_6bes DTY 15 . SING CD1 HD1 no N 15 . c30361_6bes DTY 16 . DOUB CD2 CE2 yes N 16 . c30361_6bes DTY 17 . SING CD2 HD2 no N 17 . c30361_6bes DTY 18 . DOUB CE1 CZ yes N 18 . c30361_6bes DTY 19 . SING CE1 HE1 no N 19 . c30361_6bes DTY 20 . SING CE2 CZ yes N 20 . c30361_6bes DTY 21 . SING CE2 HE2 no N 21 . c30361_6bes DTY 22 . SING CZ OH no N 22 . c30361_6bes DTY 23 . SING OH HH no N 23 . c30361_6bes DTY 24 . SING OXT HXT no N 24 . c30361_6bes DTY stop_ save_ save_chem_comp_DAL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DAL _Chem_comp.Entry_ID c30361_6bes _Chem_comp.ID DAL _Chem_comp.Provenance PDB _Chem_comp.Name D-ALANINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DAL _Chem_comp.PDB_code DAL _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 DAL _Chem_comp.Number_atoms_all 13 _Chem_comp.Number_atoms_nh 6 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/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 'C3 H7 N O2' _Chem_comp.Formula_weight 89.093 _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 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(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30361_6bes DAL C[C@@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30361_6bes DAL C[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30361_6bes DAL C[CH](N)C(O)=O SMILES CACTVS 3.341 c30361_6bes DAL InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 InChI InChI 1.03 c30361_6bes DAL O=C(O)C(N)C SMILES ACDLabs 10.04 c30361_6bes DAL QNAYBMKLOCPYGJ-UWTATZPHSA-N InChIKey InChI 1.03 c30361_6bes DAL 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-aminopropanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30361_6bes DAL D-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 c30361_6bes DAL 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 N N N N . N . . N 0 . . . 1 no no . . . . 17.005 . 31.325 . 27.552 . -1.564 -0.992 0.101 1 . c30361_6bes DAL CA CA CA CA . C . . R 0 . . . 1 no no . . . . 17.495 . 30.650 . 26.346 . -0.724 0.176 0.402 2 . c30361_6bes DAL CB CB CB CB . C . . N 0 . . . 1 no no . . . . 16.859 . 31.287 . 25.124 . -1.205 1.374 -0.420 3 . c30361_6bes DAL C C C C . C . . N 0 . . . 1 no no . . . . 17.165 . 29.151 . 26.377 . 0.709 -0.132 0.051 4 . c30361_6bes DAL O O O O . O . . N 0 . . . 1 no no . . . . 16.244 . 28.758 . 27.139 . 1.001 -1.213 -0.403 5 . c30361_6bes DAL OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 17.840 . 28.394 . 25.631 . 1.660 0.795 0.243 6 . c30361_6bes DAL H H H H . H . . N 0 . . . 1 no no . . . . 16.893 . 30.656 . 28.287 . -1.281 -1.723 0.736 7 . c30361_6bes DAL H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 17.663 . 32.023 . 27.834 . -2.509 -0.741 0.351 8 . c30361_6bes DAL HA HA HA HA . H . . N 0 . . . 1 no no . . . . 18.589 . 30.759 . 26.304 . -0.796 0.411 1.464 9 . c30361_6bes DAL HB1 HB1 HB1 1HB . H . . N 0 . . . 1 no no . . . . 16.705 . 32.361 . 25.308 . -1.133 1.139 -1.481 10 . c30361_6bes DAL HB2 HB2 HB2 2HB . H . . N 0 . . . 1 no no . . . . 17.521 . 31.155 . 24.255 . -2.241 1.597 -0.166 11 . c30361_6bes DAL HB3 HB3 HB3 3HB . H . . N 0 . . . 1 no no . . . . 15.890 . 30.807 . 24.923 . -0.582 2.240 -0.197 12 . c30361_6bes DAL HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 17.544 . 27.498 . 25.738 . 2.580 0.598 0.018 13 . c30361_6bes DAL 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 . c30361_6bes DAL 2 . SING N H no N 2 . c30361_6bes DAL 3 . SING N H2 no N 3 . c30361_6bes DAL 4 . SING CA CB no N 4 . c30361_6bes DAL 5 . SING CA C no N 5 . c30361_6bes DAL 6 . SING CA HA no N 6 . c30361_6bes DAL 7 . SING CB HB1 no N 7 . c30361_6bes DAL 8 . SING CB HB2 no N 8 . c30361_6bes DAL 9 . SING CB HB3 no N 9 . c30361_6bes DAL 10 . DOUB C O no N 10 . c30361_6bes DAL 11 . SING C OXT no N 11 . c30361_6bes DAL 12 . SING OXT HXT no N 12 . c30361_6bes DAL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30361_6bes _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '5 mg/mL Design 11_ss, 5 % v/v [U-99% 2H] glycerol, 90% H2O/10% D2O' _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 'Design 11_ss' 'natural abundance' . . 1 $entity_1 . . 5 . . mg/mL . . . . c30361_6bes 1 2 glycerol '[U-99% 2H]' . . . . . . 5 . . '% v/v' . . . . c30361_6bes 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 c30361_6bes _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 'ionic strength' 0 . 'Not defined' c30361_6bes 1 pH 5.5 . pH c30361_6bes 1 pressure 1 . atm c30361_6bes 1 temperature 278 . K c30361_6bes 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30361_6bes _Software.ID 1 _Software.Name gromacs _Software.Version 2016.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Abraham . . c30361_6bes 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30361_6bes 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30361_6bes _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c30361_6bes 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c30361_6bes 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30361_6bes _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c30361_6bes 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30361_6bes 3 'peak picking' c30361_6bes 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30361_6bes _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID c30361_6bes _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 c30361_6bes _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 NMR_spectrometer_1 Bruker DRX . 500 . . . c30361_6bes 1 2 NMR_spectrometer_2 Bruker AvanceIII . 800 . . . c30361_6bes 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 c30361_6bes _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.Xray_instrument_ID _Experiment.Xray_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-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30361_6bes 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30361_6bes 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . c30361_6bes 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . c30361_6bes 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c30361_6bes _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . c30361_6bes 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c30361_6bes 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . c30361_6bes 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c30361_6bes _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 $chem_shift_reference_1 _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-1H TOCSY' . . . c30361_6bes 1 2 '2D 1H-1H NOESY' . . . c30361_6bes 1 3 '2D 1H-1H TOCSY' . . . c30361_6bes 1 4 '2D 1H-1H NOESY' . . . c30361_6bes 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.NEF_atom_name _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 DAL H H 1 7.723 0.00 . . . . . . . A 1 DAL H1 . c30361_6bes 1 2 . 1 1 1 1 DAL HA H 1 3.977 0.00 . . . . . . . A 1 DAL HA . c30361_6bes 1 3 . 1 1 1 1 DAL HB2 H 1 1.216 0.00 . . . . . . . A 1 DAL HB2 . c30361_6bes 1 4 . 1 1 2 2 GLN H H 1 6.785 0.12 . . . . . . . A 2 GLN H . c30361_6bes 1 5 . 1 1 2 2 GLN HA H 1 4.292 0.01 . . . . . . . A 2 GLN HA . c30361_6bes 1 6 . 1 1 2 2 GLN HB2 H 1 1.944 0.00 . . . . . . . A 2 GLN HB2 . c30361_6bes 1 7 . 1 1 2 2 GLN HB3 H 1 1.749 0.00 . . . . . . . A 2 GLN HB3 . c30361_6bes 1 8 . 1 1 2 2 GLN HG2 H 1 2.147 0.00 . . . . . . . A 2 GLN HG2 . c30361_6bes 1 9 . 1 1 2 2 GLN HG3 H 1 2.035 0.00 . . . . . . . A 2 GLN HG3 . c30361_6bes 1 10 . 1 1 2 2 GLN HE21 H 1 6.721 0.00 . . . . . . . A 2 GLN HE21 . c30361_6bes 1 11 . 1 1 2 2 GLN HE22 H 1 7.050 0.01 . . . . . . . A 2 GLN HE22 . c30361_6bes 1 12 . 1 1 3 3 DPR HA H 1 4.179 0.00 . . . . . . . A 3 DPR HA . c30361_6bes 1 13 . 1 1 3 3 DPR HB2 H 1 1.958 0.00 . . . . . . . A 3 DPR HB2 . c30361_6bes 1 14 . 1 1 3 3 DPR HB3 H 1 1.563 0.00 . . . . . . . A 3 DPR HB3 . c30361_6bes 1 15 . 1 1 3 3 DPR HD3 H 1 3.570 0.01 . . . . . . . A 3 DPR HD3 . c30361_6bes 1 16 . 1 1 3 3 DPR HG2 H 1 1.876 0.00 . . . . . . . A 3 DPR HG2 . c30361_6bes 1 17 . 1 1 3 3 DPR HG3 H 1 1.759 0.00 . . . . . . . A 3 DPR HG3 . c30361_6bes 1 18 . 1 1 4 4 DCY H H 1 8.066 0.00 . . . . . . . A 4 DCY H . c30361_6bes 1 19 . 1 1 4 4 DCY HA H 1 4.515 0.00 . . . . . . . A 4 DCY HA . c30361_6bes 1 20 . 1 1 4 4 DCY HB2 H 1 3.038 0.00 . . . . . . . A 4 DCY HB2 . c30361_6bes 1 21 . 1 1 4 4 DCY HB3 H 1 2.885 0.00 . . . . . . . A 4 DCY HB3 . c30361_6bes 1 22 . 1 1 5 5 DLY H H 1 8.489 0.00 . . . . . . . A 5 DLY H . c30361_6bes 1 23 . 1 1 5 5 DLY HA H 1 3.715 0.00 . . . . . . . A 5 DLY HA . c30361_6bes 1 24 . 1 1 5 5 DLY HB3 H 1 1.409 0.00 . . . . . . . A 5 DLY HB3 . c30361_6bes 1 25 . 1 1 5 5 DLY HD3 H 1 1.335 0.00 . . . . . . . A 5 DLY HD3 . c30361_6bes 1 26 . 1 1 5 5 DLY HE3 H 1 2.637 0.00 . . . . . . . A 5 DLY HE3 . c30361_6bes 1 27 . 1 1 5 5 DLY HG3 H 1 1.014 0.00 . . . . . . . A 5 DLY HG3 . c30361_6bes 1 28 . 1 1 5 5 DLY HZ1 H 1 7.258 0.00 . . . . . . . A 5 DLY HZ1 . c30361_6bes 1 29 . 1 1 6 6 ASP H H 1 8.752 0.01 . . . . . . . A 6 ASP H . c30361_6bes 1 30 . 1 1 6 6 ASP HA H 1 4.494 0.00 . . . . . . . A 6 ASP HA . c30361_6bes 1 31 . 1 1 6 6 ASP HB2 H 1 2.715 0.00 . . . . . . . A 6 ASP HB2 . c30361_6bes 1 32 . 1 1 6 6 ASP HB3 H 1 2.442 0.00 . . . . . . . A 6 ASP HB3 . c30361_6bes 1 33 . 1 1 7 7 SER H H 1 7.751 0.01 . . . . . . . A 7 SER H . c30361_6bes 1 34 . 1 1 7 7 SER HA H 1 4.407 0.00 . . . . . . . A 7 SER HA . c30361_6bes 1 35 . 1 1 7 7 SER HB2 H 1 3.166 0.00 . . . . . . . A 7 SER HB2 . c30361_6bes 1 36 . 1 1 7 7 SER HB3 H 1 3.166 0.00 . . . . . . . A 7 SER HB3 . c30361_6bes 1 37 . 1 1 8 8 DTY H H 1 8.496 0.01 . . . . . . . A 8 DTY H . c30361_6bes 1 38 . 1 1 8 8 DTY HA H 1 4.656 0.00 . . . . . . . A 8 DTY HA . c30361_6bes 1 39 . 1 1 8 8 DTY HB2 H 1 2.708 0.00 . . . . . . . A 8 DTY HB2 . c30361_6bes 1 40 . 1 1 8 8 DTY HB3 H 1 2.376 0.00 . . . . . . . A 8 DTY HB3 . c30361_6bes 1 41 . 1 1 8 8 DTY HD1 H 1 6.616 0.01 . . . . . . . A 8 DTY HD1 . c30361_6bes 1 42 . 1 1 8 8 DTY HE1 H 1 6.481 0.01 . . . . . . . A 8 DTY HE1 . c30361_6bes 1 43 . 1 1 9 9 DCY H H 1 8.563 0.01 . . . . . . . A 9 DCY H . c30361_6bes 1 44 . 1 1 9 9 DCY HA H 1 5.075 0.00 . . . . . . . A 9 DCY HA . c30361_6bes 1 45 . 1 1 9 9 DCY HB2 H 1 2.541 0.00 . . . . . . . A 9 DCY HB2 . c30361_6bes 1 46 . 1 1 9 9 DCY HB3 H 1 2.449 0.00 . . . . . . . A 9 DCY HB3 . c30361_6bes 1 47 . 1 1 10 10 PRO HA H 1 4.098 0.00 . . . . . . . A 10 PRO HA . c30361_6bes 1 48 . 1 1 10 10 PRO HB2 H 1 2.022 0.00 . . . . . . . A 10 PRO HB2 . c30361_6bes 1 49 . 1 1 10 10 PRO HB3 H 1 1.506 0.00 . . . . . . . A 10 PRO HB3 . c30361_6bes 1 50 . 1 1 10 10 PRO HG2 H 1 1.760 0.00 . . . . . . . A 10 PRO HG2 . c30361_6bes 1 51 . 1 1 10 10 PRO HG3 H 1 1.633 0.00 . . . . . . . A 10 PRO HG3 . c30361_6bes 1 52 . 1 1 10 10 PRO HD2 H 1 3.481 0.01 . . . . . . . A 10 PRO HD2 . c30361_6bes 1 53 . 1 1 10 10 PRO HD3 H 1 2.975 0.00 . . . . . . . A 10 PRO HD3 . c30361_6bes 1 54 . 1 1 11 11 DSN H H 1 8.988 0.01 . . . . . . . A 11 DSN H . c30361_6bes 1 55 . 1 1 11 11 DSN HA H 1 3.956 0.01 . . . . . . . A 11 DSN HA . c30361_6bes 1 56 . 1 1 11 11 DSN HB2 H 1 3.740 0.00 . . . . . . . A 11 DSN HB2 . c30361_6bes 1 57 . 1 1 11 11 DSN HB3 H 1 3.612 0.00 . . . . . . . A 11 DSN HB3 . c30361_6bes 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 c30361_6bes _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 c30361_6bes _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 . . . c30361_6bes 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 . . . . c30361_6bes 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 DAL C C 33.260 36.680 11.460 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 1 . 2 . 1 1 1 DAL CA C 31.770 36.340 11.490 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 1 . 3 . 1 1 1 DAL CB C 31.460 34.860 11.270 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 1 . 4 . 1 1 1 DAL H1 H 30.830 35.990 13.370 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 1 . 5 . 1 1 1 DAL HA H 31.290 36.920 10.700 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 1 . 6 . 1 1 1 DAL HB1 H 31.950 34.560 10.350 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 1 . 7 . 1 1 1 DAL HB2 H 30.410 34.560 11.330 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 1 . 8 . 1 1 1 DAL HB3 H 32.070 34.260 11.940 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 1 . 9 . 1 1 1 DAL N N 31.130 36.710 12.730 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 1 . 10 . 1 1 1 DAL O O 33.840 36.870 10.390 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 1 . 11 . 1 1 2 GLN C C 36.210 36.020 12.400 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 1 . 12 . 1 1 2 GLN CA C 35.310 37.190 12.760 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 1 . 13 . 1 1 2 GLN CB C 35.610 37.580 14.200 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 1 . 14 . 1 1 2 GLN CD C 35.130 38.820 16.320 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 1 . 15 . 1 1 2 GLN CG C 34.930 38.800 14.810 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 1 . 16 . 1 1 2 GLN H H 33.380 36.730 13.460 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 1 . 17 . 1 1 2 GLN HA H 35.530 37.990 12.050 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 1 . 18 . 1 1 2 GLN HB2 H 35.400 36.700 14.810 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 1 . 19 . 1 1 2 GLN HB3 H 36.680 37.730 14.370 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 1 . 20 . 1 1 2 GLN HE21 H 33.730 37.340 16.640 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 1 . 21 . 1 1 2 GLN HE22 H 34.560 37.950 18.040 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 1 . 22 . 1 1 2 GLN HG2 H 35.360 39.730 14.430 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 1 . 23 . 1 1 2 GLN HG3 H 33.840 38.750 14.770 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 1 . 24 . 1 1 2 GLN N N 33.910 36.830 12.610 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 1 . 25 . 1 1 2 GLN NE2 N 34.380 37.990 17.050 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 1 . 26 . 1 1 2 GLN O O 35.950 34.960 12.980 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 1 . 27 . 1 1 2 GLN OE1 O 36.090 39.410 16.820 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 1 . 28 . 1 1 3 DPR C C 37.490 33.850 10.770 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 1 . 29 . 1 1 3 DPR CA C 38.200 35.080 11.320 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 1 . 30 . 1 1 3 DPR CB C 39.390 35.630 10.540 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 1 . 31 . 1 1 3 DPR CD C 37.530 37.210 10.640 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 1 . 32 . 1 1 3 DPR CG C 38.650 36.700 9.740 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 1 . 33 . 1 1 3 DPR HA H 38.560 34.820 12.320 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 1 . 34 . 1 1 3 DPR HB2 H 39.760 34.870 9.850 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 1 . 35 . 1 1 3 DPR HB3 H 40.130 36.070 11.200 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 1 . 36 . 1 1 3 DPR HD2 H 36.640 37.500 10.080 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 1 . 37 . 1 1 3 DPR HD3 H 37.910 37.970 11.330 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 1 . 38 . 1 1 3 DPR HG2 H 38.230 36.350 8.800 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 1 . 39 . 1 1 3 DPR HG3 H 39.350 37.490 9.480 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 1 . 40 . 1 1 3 DPR N N 37.200 36.110 11.510 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 1 . 41 . 1 1 3 DPR O O 36.650 33.880 9.880 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 1 . 42 . 1 1 4 . C C 38.010 30.250 11.330 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 1 . 43 . 1 1 4 . CA C 37.080 31.450 11.280 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 1 . 44 . 1 1 4 . CB C 36.060 31.380 12.410 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 1 . 45 . 1 1 4 . H H 38.520 32.750 12.060 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 1 . 46 . 1 1 4 . HA H 36.490 31.380 10.370 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 1 . 47 . 1 1 4 . HB2 H 35.520 32.320 12.300 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 1 . 48 . 1 1 4 . HB3 H 36.590 31.490 13.360 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 1 . 49 . 1 1 4 . N N 37.850 32.680 11.310 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 1 . 50 . 1 1 4 . O O 39.090 30.280 11.920 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 1 . 51 . 1 1 4 . SG S 34.720 30.170 12.580 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 1 . 52 . 1 1 5 . C C 38.390 27.450 12.520 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 1 . 53 . 1 1 5 . CA C 38.250 27.850 11.060 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 1 . 54 . 1 1 5 . CB C 37.530 26.790 10.230 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 1 . 55 . 1 1 5 . CD C 37.070 25.700 8.040 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 1 . 56 . 1 1 5 . CE C 37.300 25.820 6.540 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 1 . 57 . 1 1 5 . CG C 37.790 26.860 8.720 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 1 . 58 . 1 1 5 . H H 36.610 29.170 10.470 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 1 . 59 . 1 1 5 . HA H 39.220 28.060 10.610 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 1 . 60 . 1 1 5 . HB2 H 36.450 26.840 10.390 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 1 . 61 . 1 1 5 . HB3 H 37.810 25.800 10.570 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 1 . 62 . 1 1 5 . HD2 H 36.010 25.760 8.310 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 1 . 63 . 1 1 5 . HD3 H 37.370 24.720 8.420 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 1 . 64 . 1 1 5 . HE2 H 37.210 24.810 6.150 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 1 . 65 . 1 1 5 . HE3 H 38.330 26.120 6.330 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 1 . 66 . 1 1 5 . HG2 H 38.840 26.890 8.430 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 1 . 67 . 1 1 5 . HG3 H 37.360 27.780 8.350 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 1 . 68 . 1 1 5 . HZ1 H 35.400 26.390 5.850 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 1 . 69 . 1 1 5 . HZ2 H 36.680 26.740 4.860 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 1 . 70 . 1 1 5 . HZ3 H 36.270 27.630 6.190 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 1 . 71 . 1 1 5 . N N 37.490 29.080 10.960 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 1 . 72 . 1 1 5 . NZ N 36.360 26.690 5.820 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 1 . 73 . 1 1 5 . O O 37.420 27.290 13.250 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 1 . 74 . 1 1 6 ASP C C 39.910 28.540 15.300 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 1 . 75 . 1 1 6 ASP CA C 39.980 27.350 14.360 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 1 . 76 . 1 1 6 ASP CB C 41.390 26.770 14.350 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 1 . 77 . 1 1 6 ASP CG C 42.410 27.750 13.790 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 1 . 78 . 1 1 6 ASP H H 40.400 27.670 12.320 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 1 . 79 . 1 1 6 ASP HA H 39.280 26.620 14.770 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 1 . 80 . 1 1 6 ASP HB2 H 41.710 26.470 15.340 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 1 . 81 . 1 1 6 ASP HB3 H 41.400 25.820 13.800 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 1 . 82 . 1 1 6 ASP N N 39.640 27.590 12.980 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 1 . 83 . 1 1 6 ASP O O 39.810 28.340 16.510 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 1 . 84 . 1 1 6 ASP OD1 O 42.940 28.540 14.600 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 1 . 85 . 1 1 6 ASP OD2 O 42.540 27.870 12.550 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 1 . 86 . 1 1 7 SER C C 38.970 31.960 15.190 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 1 . 87 . 1 1 7 SER CA C 40.050 30.990 15.630 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 1 . 88 . 1 1 7 SER CB C 41.440 31.630 15.640 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 1 . 89 . 1 1 7 SER H H 39.820 30.020 13.850 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 1 . 90 . 1 1 7 SER HA H 39.860 30.790 16.690 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 1 . 91 . 1 1 7 SER HB2 H 41.700 31.910 14.620 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 1 . 92 . 1 1 7 SER HB3 H 41.440 32.510 16.270 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 1 . 93 . 1 1 7 SER HG H 42.650 30.160 15.290 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 1 . 94 . 1 1 7 SER N N 39.970 29.790 14.830 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 1 . 95 . 1 1 7 SER O O 39.030 32.380 14.030 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 1 . 96 . 1 1 7 SER OG O 42.420 30.700 16.050 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 1 . 97 . 1 1 8 . C C 35.890 33.480 16.390 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 1 . 98 . 1 1 8 . CA C 37.330 33.680 15.910 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 1 . 99 . 1 1 8 . CB C 37.970 34.830 16.680 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 1 . 100 . 1 1 8 . CD1 C 39.340 36.050 14.980 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 1 . 101 . 1 1 8 . CD2 C 40.480 34.990 16.850 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 1 . 102 . 1 1 8 . CE1 C 40.570 36.350 14.380 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 1 . 103 . 1 1 8 . CE2 C 41.720 35.470 16.400 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 1 . 104 . 1 1 8 . CG C 39.300 35.310 16.170 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 1 . 105 . 1 1 8 . CZ C 41.720 36.160 15.170 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 1 . 106 . 1 1 8 . H H 37.940 31.950 16.920 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 1 . 107 . 1 1 8 . HA H 37.340 33.980 14.870 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 1 . 108 . 1 1 8 . HB2 H 38.240 34.470 17.680 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 1 . 109 . 1 1 8 . HB3 H 37.320 35.700 16.680 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 1 . 110 . 1 1 8 . HD1 H 38.510 36.100 14.300 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 1 . 111 . 1 1 8 . HD2 H 40.460 34.440 17.770 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 1 . 112 . 1 1 8 . HE1 H 40.690 36.700 13.360 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 1 . 113 . 1 1 8 . HE2 H 42.620 35.300 16.970 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 1 . 114 . 1 1 8 . HH H 43.630 36.520 15.530 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 1 . 115 . 1 1 8 . N N 38.110 32.470 16.070 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 1 . 116 . 1 1 8 . O O 35.700 33.140 17.550 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 1 . 117 . 1 1 8 . OH O 42.950 36.670 14.870 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 1 . 118 . 1 1 9 . C C 32.530 34.020 15.630 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 1 . 119 . 1 1 9 . CA C 33.620 32.960 15.740 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 1 . 120 . 1 1 9 . CB C 33.250 31.880 14.730 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 1 . 121 . 1 1 9 . H H 35.110 33.750 14.500 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 1 . 122 . 1 1 9 . HA H 33.550 32.550 16.750 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 1 . 123 . 1 1 9 . HB2 H 33.200 32.260 13.710 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 1 . 124 . 1 1 9 . HB3 H 32.240 31.480 14.870 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 1 . 125 . 1 1 9 . N N 34.940 33.480 15.450 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 1 . 126 . 1 1 9 . O O 32.410 34.620 14.570 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 1 . 127 . 1 1 9 . SG S 34.370 30.460 14.560 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 1 . 128 . 1 1 10 PRO C C 30.850 36.560 15.940 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 1 . 129 . 1 1 10 PRO CA C 30.560 35.190 16.540 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 1 . 130 . 1 1 10 PRO CB C 30.040 35.470 17.940 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 1 . 131 . 1 1 10 PRO CD C 31.760 33.820 18.010 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 1 . 132 . 1 1 10 PRO CG C 30.370 34.120 18.570 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 1 . 133 . 1 1 10 PRO HA H 29.830 34.670 15.920 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 1 . 134 . 1 1 10 PRO HB2 H 30.630 36.290 18.360 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 1 . 135 . 1 1 10 PRO HB3 H 28.980 35.740 17.860 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 1 . 136 . 1 1 10 PRO HD2 H 32.470 34.410 18.580 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 1 . 137 . 1 1 10 PRO HD3 H 32.040 32.780 18.190 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 1 . 138 . 1 1 10 PRO HG2 H 30.500 34.180 19.650 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 1 . 139 . 1 1 10 PRO HG3 H 29.660 33.330 18.340 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 1 . 140 . 1 1 10 PRO N N 31.720 34.320 16.650 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 1 . 141 . 1 1 10 PRO O O 31.980 37.050 15.950 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 1 . 142 . 1 1 11 . C C 30.760 37.970 13.000 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 1 . 143 . 1 1 11 . CA C 30.020 38.200 14.310 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 1 . 144 . 1 1 11 . CB C 28.690 38.830 13.930 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 1 . 145 . 1 1 11 . H H 28.920 36.740 15.330 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 1 . 146 . 1 1 11 . HA H 30.670 38.890 14.850 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 1 . 147 . 1 1 11 . HB2 H 28.230 38.070 13.300 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 1 . 148 . 1 1 11 . HB3 H 28.710 39.690 13.250 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 1 . 149 . 1 1 11 . HG H 27.170 38.680 15.080 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 1 . 150 . 1 1 11 . N N 29.870 37.060 15.190 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 1 . 151 . 1 1 11 . O O 31.060 38.900 12.250 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 1 . 152 . 1 1 11 . OG O 27.930 39.260 15.040 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 2 . 153 . 1 1 1 DAL C C 33.079 36.636 11.409 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 2 . 154 . 1 1 1 DAL CA C 31.605 36.304 11.541 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 2 . 155 . 1 1 1 DAL CB C 31.320 34.817 11.338 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 2 . 156 . 1 1 1 DAL H1 H 30.939 36.110 13.602 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 2 . 157 . 1 1 1 DAL HA H 31.073 36.902 10.797 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 2 . 158 . 1 1 1 DAL HB1 H 32.147 34.280 11.819 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 2 . 159 . 1 1 1 DAL HB2 H 31.283 34.486 10.302 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 2 . 160 . 1 1 1 DAL HB3 H 30.351 34.482 11.710 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 2 . 161 . 1 1 1 DAL N N 30.934 36.678 12.772 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 2 . 162 . 1 1 1 DAL O O 33.639 36.814 10.329 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 2 . 163 . 1 1 2 GLN C C 35.973 36.007 12.572 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 2 . 164 . 1 1 2 GLN CA C 35.061 37.219 12.694 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 2 . 165 . 1 1 2 GLN CB C 35.490 37.996 13.929 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 2 . 166 . 1 1 2 GLN CD C 35.311 40.092 15.218 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 2 . 167 . 1 1 2 GLN CG C 35.046 39.455 13.859 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 2 . 168 . 1 1 2 GLN H H 33.126 36.771 13.435 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 2 . 169 . 1 1 2 GLN HA H 35.275 37.951 11.908 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 2 . 170 . 1 1 2 GLN HB2 H 35.160 37.440 14.805 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 2 . 171 . 1 1 2 GLN HB3 H 36.585 38.014 13.945 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 2 . 172 . 1 1 2 GLN HE21 H 34.014 41.616 14.855 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 2 . 173 . 1 1 2 GLN HE22 H 34.771 41.594 16.427 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 2 . 174 . 1 1 2 GLN HG2 H 35.542 40.076 13.115 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 2 . 175 . 1 1 2 GLN HG3 H 33.959 39.563 13.743 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 2 . 176 . 1 1 2 GLN N N 33.659 36.899 12.586 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 2 . 177 . 1 1 2 GLN NE2 N 34.539 41.119 15.571 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 2 . 178 . 1 1 2 GLN O O 35.760 34.925 13.121 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 2 . 179 . 1 1 2 GLN OE1 O 36.186 39.727 15.990 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 2 . 180 . 1 1 3 DPR C C 37.450 33.852 11.033 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 2 . 181 . 1 1 3 DPR CA C 38.127 35.030 11.725 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 2 . 182 . 1 1 3 DPR CB C 39.280 35.670 10.952 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 2 . 183 . 1 1 3 DPR CD C 37.463 37.155 11.004 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 2 . 184 . 1 1 3 DPR CG C 38.526 36.635 10.036 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 2 . 185 . 1 1 3 DPR HA H 38.575 34.754 12.679 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 2 . 186 . 1 1 3 DPR HB2 H 39.868 34.862 10.501 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 2 . 187 . 1 1 3 DPR HB3 H 39.968 36.204 11.601 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 2 . 188 . 1 1 3 DPR HD2 H 36.612 37.531 10.434 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 2 . 189 . 1 1 3 DPR HD3 H 37.735 38.074 11.521 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 2 . 190 . 1 1 3 DPR HG2 H 37.985 36.037 9.313 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 2 . 191 . 1 1 3 DPR HG3 H 39.125 37.460 9.677 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 2 . 192 . 1 1 3 DPR N N 37.120 36.054 11.884 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 2 . 193 . 1 1 3 DPR O O 36.531 33.962 10.228 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 2 . 194 . 1 1 4 . C C 38.131 30.195 11.328 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 2 . 195 . 1 1 4 . CA C 37.197 31.400 11.297 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 2 . 196 . 1 1 4 . CB C 36.358 31.318 12.569 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 2 . 197 . 1 1 4 . H H 38.753 32.625 11.968 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 2 . 198 . 1 1 4 . HA H 36.574 31.372 10.409 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 2 . 199 . 1 1 4 . HB2 H 36.093 32.304 12.961 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 2 . 200 . 1 1 4 . HB3 H 36.980 30.960 13.400 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 2 . 201 . 1 1 4 . N N 37.897 32.659 11.444 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 2 . 202 . 1 1 4 . O O 39.165 30.283 11.995 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 2 . 203 . 1 1 4 . SG S 34.885 30.279 12.482 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 2 . 204 . 1 1 5 . C C 38.330 27.636 12.551 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 2 . 205 . 1 1 5 . CA C 38.454 27.861 11.049 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 2 . 206 . 1 1 5 . CB C 37.974 26.744 10.134 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 2 . 207 . 1 1 5 . CD C 38.352 24.519 9.125 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 2 . 208 . 1 1 5 . CE C 39.334 23.395 8.794 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 2 . 209 . 1 1 5 . CG C 39.021 25.661 9.886 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 2 . 210 . 1 1 5 . H H 36.804 29.140 10.354 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 2 . 211 . 1 1 5 . HA H 39.500 28.018 10.783 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 2 . 212 . 1 1 5 . HB2 H 37.761 27.194 9.167 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 2 . 213 . 1 1 5 . HB3 H 37.159 26.232 10.657 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 2 . 214 . 1 1 5 . HD2 H 37.960 24.960 8.203 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 2 . 215 . 1 1 5 . HD3 H 37.638 24.065 9.805 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 2 . 216 . 1 1 5 . HE2 H 38.862 22.584 8.245 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 2 . 217 . 1 1 5 . HE3 H 39.809 22.944 9.669 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 2 . 218 . 1 1 5 . HG2 H 39.407 25.248 10.818 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 2 . 219 . 1 1 5 . HG3 H 39.829 26.158 9.339 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 2 . 220 . 1 1 5 . HZ1 H 40.625 23.179 7.222 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 2 . 221 . 1 1 5 . HZ2 H 41.196 24.240 8.352 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 2 . 222 . 1 1 5 . HZ3 H 40.044 24.486 7.127 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 2 . 223 . 1 1 5 . N N 37.737 29.079 10.715 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 2 . 224 . 1 1 5 . NZ N 40.373 23.900 7.883 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 2 . 225 . 1 1 5 . O O 37.228 27.474 13.063 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 2 . 226 . 1 1 6 ASP C C 39.936 28.641 15.352 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 2 . 227 . 1 1 6 ASP CA C 39.776 27.336 14.577 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 2 . 228 . 1 1 6 ASP CB C 41.053 26.510 14.779 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 2 . 229 . 1 1 6 ASP CG C 42.195 27.180 14.025 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 2 . 230 . 1 1 6 ASP H H 40.334 27.776 12.645 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 2 . 231 . 1 1 6 ASP HA H 38.909 26.775 14.931 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 2 . 232 . 1 1 6 ASP HB2 H 41.271 26.392 15.835 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 2 . 233 . 1 1 6 ASP HB3 H 40.802 25.512 14.410 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 2 . 234 . 1 1 6 ASP N N 39.513 27.563 13.179 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 2 . 235 . 1 1 6 ASP O O 39.866 28.674 16.576 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 2 . 236 . 1 1 6 ASP OD1 O 42.638 26.558 13.040 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 2 . 237 . 1 1 6 ASP OD2 O 42.662 28.301 14.317 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 2 . 238 . 1 1 7 SER C C 39.252 32.096 14.969 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 2 . 239 . 1 1 7 SER CA C 40.318 31.089 15.378 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 2 . 240 . 1 1 7 SER CB C 41.732 31.581 15.096 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 2 . 241 . 1 1 7 SER H H 40.144 29.793 13.726 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 2 . 242 . 1 1 7 SER HA H 40.285 31.015 16.469 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 2 . 243 . 1 1 7 SER HB2 H 41.935 31.779 14.046 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 2 . 244 . 1 1 7 SER HB3 H 41.840 32.527 15.630 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 2 . 245 . 1 1 7 SER HG H 42.595 29.816 15.116 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 2 . 246 . 1 1 7 SER N N 40.145 29.804 14.735 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 2 . 247 . 1 1 7 SER O O 39.275 32.549 13.822 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 2 . 248 . 1 1 7 SER OG O 42.638 30.633 15.623 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 2 . 249 . 1 1 8 . C C 35.940 33.011 16.152 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 2 . 250 . 1 1 8 . CA C 37.321 33.432 15.647 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 2 . 251 . 1 1 8 . CB C 37.648 34.748 16.344 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 2 . 252 . 1 1 8 . CD1 C 39.104 36.507 15.300 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 2 . 253 . 1 1 8 . CD2 C 40.124 34.778 16.698 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 2 . 254 . 1 1 8 . CE1 C 40.358 37.113 15.151 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 2 . 255 . 1 1 8 . CE2 C 41.358 35.413 16.527 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 2 . 256 . 1 1 8 . CG C 39.011 35.339 16.057 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 2 . 257 . 1 1 8 . CZ C 41.514 36.594 15.777 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 2 . 258 . 1 1 8 . H H 38.207 31.800 16.669 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 2 . 259 . 1 1 8 . HA H 37.306 33.709 14.589 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 2 . 260 . 1 1 8 . HB2 H 37.588 34.599 17.422 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 2 . 261 . 1 1 8 . HB3 H 36.888 35.468 16.030 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 2 . 262 . 1 1 8 . HD1 H 38.232 36.916 14.803 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 2 . 263 . 1 1 8 . HD2 H 40.013 33.960 17.393 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 2 . 264 . 1 1 8 . HE1 H 40.487 37.958 14.493 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 2 . 265 . 1 1 8 . HE2 H 42.201 35.033 17.094 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 2 . 266 . 1 1 8 . HH H 43.471 36.779 15.961 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 2 . 267 . 1 1 8 . N N 38.259 32.340 15.821 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 2 . 268 . 1 1 8 . O O 35.812 32.302 17.149 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 2 . 269 . 1 1 8 . OH O 42.728 37.149 15.490 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 2 . 270 . 1 1 9 . C C 32.568 34.181 15.646 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 2 . 271 . 1 1 9 . CA C 33.543 33.004 15.595 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 2 . 272 . 1 1 9 . CB C 33.281 32.073 14.413 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 2 . 273 . 1 1 9 . H H 35.080 34.121 14.691 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 2 . 274 . 1 1 9 . HA H 33.404 32.406 16.497 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 2 . 275 . 1 1 9 . HB2 H 33.357 32.617 13.469 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 2 . 276 . 1 1 9 . HB3 H 32.218 31.848 14.476 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 2 . 277 . 1 1 9 . N N 34.911 33.440 15.413 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 2 . 278 . 1 1 9 . O O 31.936 34.485 14.636 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 2 . 279 . 1 1 9 . SG S 34.256 30.551 14.399 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 2 . 280 . 1 1 10 PRO C C 31.566 36.985 15.866 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 2 . 281 . 1 1 10 PRO CA C 31.475 35.936 16.955 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 2 . 282 . 1 1 10 PRO CB C 31.771 36.529 18.323 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 2 . 283 . 1 1 10 PRO CD C 33.024 34.567 18.094 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 2 . 284 . 1 1 10 PRO CG C 32.205 35.321 19.131 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 2 . 285 . 1 1 10 PRO HA H 30.498 35.456 16.954 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 2 . 286 . 1 1 10 PRO HB2 H 32.510 37.336 18.243 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 2 . 287 . 1 1 10 PRO HB3 H 30.854 36.922 18.770 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 2 . 288 . 1 1 10 PRO HD2 H 34.022 35.001 18.040 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 2 . 289 . 1 1 10 PRO HD3 H 33.172 33.523 18.367 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 2 . 290 . 1 1 10 PRO HG2 H 32.900 35.618 19.928 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 2 . 291 . 1 1 10 PRO HG3 H 31.351 34.758 19.517 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 2 . 292 . 1 1 10 PRO N N 32.405 34.822 16.808 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 2 . 293 . 1 1 10 PRO O O 32.683 37.206 15.390 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 2 . 294 . 1 1 11 . C C 30.538 37.940 12.943 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 2 . 295 . 1 1 11 . CA C 30.209 38.416 14.357 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 2 . 296 . 1 1 11 . CB C 28.825 39.035 14.470 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 2 . 297 . 1 1 11 . H H 29.515 37.055 15.731 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 2 . 298 . 1 1 11 . HA H 30.937 39.150 14.718 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 2 . 299 . 1 1 11 . HB2 H 28.584 39.765 13.689 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 2 . 300 . 1 1 11 . HB3 H 28.805 39.560 15.417 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 2 . 301 . 1 1 11 . HG H 27.020 38.271 14.216 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 2 . 302 . 1 1 11 . N N 30.389 37.429 15.399 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 2 . 303 . 1 1 11 . O O 30.467 38.751 12.014 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 2 . 304 . 1 1 11 . OG O 27.900 37.972 14.450 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 3 . 305 . 1 1 1 DAL C C 33.103 36.760 11.388 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 3 . 306 . 1 1 1 DAL CA C 31.586 36.753 11.423 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 3 . 307 . 1 1 1 DAL CB C 31.059 35.480 10.746 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 3 . 308 . 1 1 1 DAL H1 H 30.686 36.236 13.289 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 3 . 309 . 1 1 1 DAL HA H 31.301 37.634 10.833 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 3 . 310 . 1 1 1 DAL HB1 H 31.480 35.487 9.737 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 3 . 311 . 1 1 1 DAL HB2 H 29.974 35.541 10.696 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 3 . 312 . 1 1 1 DAL HB3 H 31.454 34.609 11.260 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 3 . 313 . 1 1 1 DAL N N 31.004 37.001 12.726 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 3 . 314 . 1 1 1 DAL O O 33.629 36.583 10.286 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 3 . 315 . 1 1 2 GLN C C 36.012 35.992 12.342 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 3 . 316 . 1 1 2 GLN CA C 35.231 37.270 12.579 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 3 . 317 . 1 1 2 GLN CB C 35.626 37.859 13.929 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 3 . 318 . 1 1 2 GLN CD C 35.769 39.999 15.292 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 3 . 319 . 1 1 2 GLN CG C 35.212 39.319 14.052 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 3 . 320 . 1 1 2 GLN H H 33.225 37.077 13.326 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 3 . 321 . 1 1 2 GLN HA H 35.432 37.972 11.783 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 3 . 322 . 1 1 2 GLN HB2 H 35.313 37.256 14.780 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 3 . 323 . 1 1 2 GLN HB3 H 36.714 37.945 13.981 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 3 . 324 . 1 1 2 GLN HE21 H 34.691 41.720 14.878 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 3 . 325 . 1 1 2 GLN HE22 H 35.765 41.816 16.196 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 3 . 326 . 1 1 2 GLN HG2 H 35.415 40.001 13.216 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 3 . 327 . 1 1 2 GLN HG3 H 34.126 39.335 14.160 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 3 . 328 . 1 1 2 GLN N N 33.799 37.027 12.496 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 3 . 329 . 1 1 2 GLN NE2 N 35.307 41.233 15.519 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 3 . 330 . 1 1 2 GLN O O 35.639 34.937 12.853 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 3 . 331 . 1 1 2 GLN OE1 O 36.637 39.455 15.966 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 3 . 332 . 1 1 3 DPR C C 37.538 33.831 10.945 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 3 . 333 . 1 1 3 DPR CA C 38.195 35.089 11.480 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 3 . 334 . 1 1 3 DPR CB C 39.287 35.724 10.630 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 3 . 335 . 1 1 3 DPR CD C 37.595 37.330 11.083 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 3 . 336 . 1 1 3 DPR CG C 39.067 37.229 10.715 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 3 . 337 . 1 1 3 DPR HA H 38.609 34.866 12.464 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 3 . 338 . 1 1 3 DPR HB2 H 39.177 35.458 9.579 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 3 . 339 . 1 1 3 DPR HB3 H 40.237 35.417 11.069 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 3 . 340 . 1 1 3 DPR HD2 H 36.977 37.613 10.232 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 3 . 341 . 1 1 3 DPR HD3 H 37.463 38.176 11.767 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 3 . 342 . 1 1 3 DPR HG2 H 39.228 37.723 9.753 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 3 . 343 . 1 1 3 DPR HG3 H 39.732 37.608 11.488 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 3 . 344 . 1 1 3 DPR N N 37.134 36.063 11.623 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 3 . 345 . 1 1 3 DPR O O 36.761 33.956 10.004 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 3 . 346 . 1 1 4 . C C 38.081 30.312 11.580 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 3 . 347 . 1 1 4 . CA C 37.057 31.386 11.226 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 3 . 348 . 1 1 4 . CB C 35.843 31.460 12.149 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 3 . 349 . 1 1 4 . H H 38.539 32.580 12.100 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 3 . 350 . 1 1 4 . HA H 36.721 31.137 10.223 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 3 . 351 . 1 1 4 . HB2 H 35.354 32.440 12.084 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 3 . 352 . 1 1 4 . HB3 H 36.251 31.438 13.164 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 3 . 353 . 1 1 4 . N N 37.831 32.597 11.388 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 3 . 354 . 1 1 4 . O O 39.123 30.538 12.176 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 3 . 355 . 1 1 4 . SG S 34.613 30.170 11.862 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 3 . 356 . 1 1 5 . C C 38.604 27.648 12.931 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 3 . 357 . 1 1 5 . CA C 38.416 27.877 11.432 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 3 . 358 . 1 1 5 . CB C 37.625 26.732 10.809 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 3 . 359 . 1 1 5 . CD C 39.351 25.255 9.934 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 3 . 360 . 1 1 5 . CE C 40.278 24.117 10.349 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 3 . 361 . 1 1 5 . CG C 38.299 25.380 11.033 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 3 . 362 . 1 1 5 . H H 36.846 29.038 10.627 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 3 . 363 . 1 1 5 . HA H 39.332 27.862 10.846 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 3 . 364 . 1 1 5 . HB2 H 37.433 26.875 9.742 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 3 . 365 . 1 1 5 . HB3 H 36.620 26.710 11.234 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 3 . 366 . 1 1 5 . HD2 H 39.865 26.191 9.706 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 3 . 367 . 1 1 5 . HD3 H 38.727 24.988 9.089 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 3 . 368 . 1 1 5 . HE2 H 39.732 23.193 10.508 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 3 . 369 . 1 1 5 . HE3 H 40.797 24.383 11.269 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 3 . 370 . 1 1 5 . HG2 H 37.492 24.687 10.790 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 3 . 371 . 1 1 5 . HG3 H 38.721 25.187 12.019 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 3 . 372 . 1 1 5 . HZ1 H 40.617 23.805 8.472 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 3 . 373 . 1 1 5 . HZ2 H 41.911 23.200 9.447 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 3 . 374 . 1 1 5 . HZ3 H 41.776 24.773 9.047 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 3 . 375 . 1 1 5 . N N 37.721 29.108 11.126 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 3 . 376 . 1 1 5 . NZ N 41.248 23.940 9.248 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 3 . 377 . 1 1 5 . O O 37.646 27.518 13.689 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 3 . 378 . 1 1 6 ASP C C 40.291 28.706 15.504 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 3 . 379 . 1 1 6 ASP CA C 40.282 27.433 14.678 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 3 . 380 . 1 1 6 ASP CB C 41.677 26.831 14.747 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 3 . 381 . 1 1 6 ASP CG C 42.807 27.602 14.089 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 3 . 382 . 1 1 6 ASP H H 40.531 27.897 12.578 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 3 . 383 . 1 1 6 ASP HA H 39.561 26.779 15.168 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 3 . 384 . 1 1 6 ASP HB2 H 41.977 26.626 15.776 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 3 . 385 . 1 1 6 ASP HB3 H 41.524 25.876 14.233 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 3 . 386 . 1 1 6 ASP N N 39.883 27.584 13.290 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 3 . 387 . 1 1 6 ASP O O 40.530 28.569 16.707 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 3 . 388 . 1 1 6 ASP OD1 O 43.977 27.588 14.546 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 3 . 389 . 1 1 6 ASP OD2 O 42.628 28.329 13.083 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 3 . 390 . 1 1 7 SER C C 39.104 32.154 15.091 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 3 . 391 . 1 1 7 SER CA C 40.056 31.131 15.673 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 3 . 392 . 1 1 7 SER CB C 41.466 31.647 15.403 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 3 . 393 . 1 1 7 SER H H 39.718 29.975 13.980 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 3 . 394 . 1 1 7 SER HA H 39.772 31.009 16.719 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 3 . 395 . 1 1 7 SER HB2 H 41.700 31.609 14.344 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 3 . 396 . 1 1 7 SER HB3 H 41.553 32.718 15.579 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 3 . 397 . 1 1 7 SER HG H 43.176 31.532 16.329 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 3 . 398 . 1 1 7 SER N N 39.985 29.874 14.942 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 3 . 399 . 1 1 7 SER O O 39.293 32.751 14.037 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 3 . 400 . 1 1 7 SER OG O 42.441 30.954 16.152 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 3 . 401 . 1 1 8 . C C 35.572 32.519 15.530 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 3 . 402 . 1 1 8 . CA C 36.900 33.232 15.361 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 3 . 403 . 1 1 8 . CB C 36.871 34.597 16.057 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 3 . 404 . 1 1 8 . CD1 C 38.636 36.097 15.115 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 3 . 405 . 1 1 8 . CD2 C 39.136 34.921 17.165 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 3 . 406 . 1 1 8 . CE1 C 39.863 36.779 15.147 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 3 . 407 . 1 1 8 . CE2 C 40.282 35.704 17.326 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 3 . 408 . 1 1 8 . CG C 38.258 35.183 16.106 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 3 . 409 . 1 1 8 . CZ C 40.639 36.612 16.311 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 3 . 410 . 1 1 8 . H H 37.781 31.808 16.596 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 3 . 411 . 1 1 8 . HA H 37.060 33.272 14.288 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 3 . 412 . 1 1 8 . HB2 H 36.617 34.532 17.119 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 3 . 413 . 1 1 8 . HB3 H 36.142 35.240 15.571 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 3 . 414 . 1 1 8 . HD1 H 37.909 36.292 14.344 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 3 . 415 . 1 1 8 . HD2 H 38.780 34.168 17.855 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 3 . 416 . 1 1 8 . HE1 H 40.179 37.412 14.335 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 3 . 417 . 1 1 8 . HE2 H 40.839 35.528 18.223 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 3 . 418 . 1 1 8 . HH H 42.281 37.251 17.121 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 3 . 419 . 1 1 8 . N N 38.000 32.402 15.806 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 3 . 420 . 1 1 8 . O O 35.583 31.513 16.239 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 3 . 421 . 1 1 8 . OH O 41.826 37.275 16.272 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 3 . 422 . 1 1 9 . C C 32.152 33.707 15.271 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 3 . 423 . 1 1 9 . CA C 33.100 32.546 15.006 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 3 . 424 . 1 1 9 . CB C 32.722 31.696 13.797 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 3 . 425 . 1 1 9 . H H 34.611 33.718 14.230 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 3 . 426 . 1 1 9 . HA H 33.021 31.763 15.757 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 3 . 427 . 1 1 9 . HB2 H 32.857 32.244 12.868 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 3 . 428 . 1 1 9 . HB3 H 31.673 31.482 14.018 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 3 . 429 . 1 1 9 . N N 34.484 32.965 14.905 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 3 . 430 . 1 1 9 . O O 31.464 34.120 14.341 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 3 . 431 . 1 1 9 . SG S 33.639 30.135 13.651 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 3 . 432 . 1 1 10 PRO C C 31.272 36.532 16.002 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 3 . 433 . 1 1 10 PRO CA C 31.126 35.296 16.863 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 3 . 434 . 1 1 10 PRO CB C 31.382 35.669 18.317 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 3 . 435 . 1 1 10 PRO CD C 32.849 33.889 17.657 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 3 . 436 . 1 1 10 PRO CG C 32.126 34.457 18.873 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 3 . 437 . 1 1 10 PRO HA H 30.109 34.880 16.803 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 3 . 438 . 1 1 10 PRO HB2 H 31.959 36.582 18.386 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 3 . 439 . 1 1 10 PRO HB3 H 30.459 35.831 18.884 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 3 . 440 . 1 1 10 PRO HD2 H 33.853 34.264 17.450 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 3 . 441 . 1 1 10 PRO HD3 H 33.086 32.825 17.767 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 3 . 442 . 1 1 10 PRO HG2 H 32.745 34.762 19.721 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 3 . 443 . 1 1 10 PRO HG3 H 31.344 33.775 19.202 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 3 . 444 . 1 1 10 PRO N N 32.057 34.246 16.498 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 3 . 445 . 1 1 10 PRO O O 32.398 36.966 15.767 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 3 . 446 . 1 1 11 . C C 30.831 38.201 13.280 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 3 . 447 . 1 1 11 . CA C 30.222 38.267 14.678 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 3 . 448 . 1 1 11 . CB C 28.802 38.808 14.585 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 3 . 449 . 1 1 11 . H H 29.280 36.582 15.557 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 3 . 450 . 1 1 11 . HA H 30.920 38.971 15.147 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 3 . 451 . 1 1 11 . HB2 H 28.800 39.792 14.108 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 3 . 452 . 1 1 11 . HB3 H 28.433 38.869 15.605 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 3 . 453 . 1 1 11 . HG H 27.236 38.240 13.695 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 3 . 454 . 1 1 11 . N N 30.161 37.069 15.484 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 3 . 455 . 1 1 11 . O O 31.151 39.229 12.680 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 3 . 456 . 1 1 11 . OG O 28.068 37.818 13.916 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 4 . 457 . 1 1 1 DAL C C 32.936 36.645 11.264 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 4 . 458 . 1 1 1 DAL CA C 31.423 36.499 11.298 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 4 . 459 . 1 1 1 DAL CB C 31.042 35.058 10.955 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 4 . 460 . 1 1 1 DAL H1 H 30.641 36.021 13.175 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 4 . 461 . 1 1 1 DAL HA H 31.042 37.023 10.425 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 4 . 462 . 1 1 1 DAL HB1 H 31.305 34.313 11.704 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 4 . 463 . 1 1 1 DAL HB2 H 31.345 34.784 9.944 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 4 . 464 . 1 1 1 DAL HB3 H 29.951 34.998 10.850 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 4 . 465 . 1 1 1 DAL N N 30.774 36.812 12.561 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 4 . 466 . 1 1 1 DAL O O 33.511 36.599 10.184 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 4 . 467 . 1 1 2 GLN C C 35.979 36.207 12.577 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 4 . 468 . 1 1 2 GLN CA C 34.945 37.331 12.558 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 4 . 469 . 1 1 2 GLN CB C 35.063 38.176 13.823 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 4 . 470 . 1 1 2 GLN CD C 34.429 40.486 14.722 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 4 . 471 . 1 1 2 GLN CG C 34.252 39.448 13.619 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 4 . 472 . 1 1 2 GLN H H 33.011 36.704 13.224 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 4 . 473 . 1 1 2 GLN HA H 35.127 37.976 11.706 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 4 . 474 . 1 1 2 GLN HB2 H 34.720 37.631 14.694 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 4 . 475 . 1 1 2 GLN HB3 H 36.145 38.335 13.912 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 4 . 476 . 1 1 2 GLN HE21 H 33.607 41.854 13.505 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 4 . 477 . 1 1 2 GLN HE22 H 34.260 42.454 15.013 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 4 . 478 . 1 1 2 GLN HG2 H 34.597 39.926 12.694 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 4 . 479 . 1 1 2 GLN HG3 H 33.180 39.240 13.582 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 4 . 480 . 1 1 2 GLN N N 33.585 36.866 12.403 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 4 . 481 . 1 1 2 GLN NE2 N 33.923 41.688 14.451 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 4 . 482 . 1 1 2 GLN O O 35.764 35.253 13.323 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 4 . 483 . 1 1 2 GLN OE1 O 35.005 40.262 15.787 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 4 . 484 . 1 1 3 DPR C C 37.522 34.053 11.057 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 4 . 485 . 1 1 3 DPR CA C 38.100 35.334 11.665 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 4 . 486 . 1 1 3 DPR CB C 39.282 35.940 10.925 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 4 . 487 . 1 1 3 DPR CD C 37.424 37.492 11.008 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 4 . 488 . 1 1 3 DPR CG C 38.950 37.425 10.889 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 4 . 489 . 1 1 3 DPR HA H 38.598 35.066 12.597 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 4 . 490 . 1 1 3 DPR HB2 H 39.371 35.628 9.886 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 4 . 491 . 1 1 3 DPR HB3 H 40.247 35.802 11.420 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 4 . 492 . 1 1 3 DPR HD2 H 36.921 37.361 10.046 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 4 . 493 . 1 1 3 DPR HD3 H 37.155 38.393 11.554 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 4 . 494 . 1 1 3 DPR HG2 H 39.302 37.821 9.940 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 4 . 495 . 1 1 3 DPR HG3 H 39.428 37.876 11.749 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 4 . 496 . 1 1 3 DPR N N 37.079 36.351 11.832 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 4 . 497 . 1 1 3 DPR O O 36.826 33.999 10.045 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 4 . 498 . 1 1 4 . C C 38.373 30.439 11.455 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 4 . 499 . 1 1 4 . CA C 37.388 31.607 11.442 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 4 . 500 . 1 1 4 . CB C 36.381 31.346 12.556 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 4 . 501 . 1 1 4 . H H 38.578 33.112 12.420 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 4 . 502 . 1 1 4 . HA H 36.786 31.588 10.532 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 4 . 503 . 1 1 4 . HB2 H 35.801 32.259 12.693 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 4 . 504 . 1 1 4 . HB3 H 36.956 31.140 13.464 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 4 . 505 . 1 1 4 . N N 37.900 32.938 11.678 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 4 . 506 . 1 1 4 . O O 39.499 30.522 11.935 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 4 . 507 . 1 1 4 . SG S 35.144 30.042 12.474 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 4 . 508 . 1 1 5 . C C 38.366 27.543 12.644 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 4 . 509 . 1 1 5 . CA C 38.501 27.935 11.179 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 4 . 510 . 1 1 5 . CB C 37.890 26.956 10.191 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 4 . 511 . 1 1 5 . CD C 38.020 24.695 9.221 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 4 . 512 . 1 1 5 . CE C 38.954 23.494 9.048 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 4 . 513 . 1 1 5 . CG C 38.762 25.703 10.081 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 4 . 514 . 1 1 5 . H H 37.188 29.268 10.313 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 4 . 515 . 1 1 5 . HA H 39.579 27.950 11.016 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 4 . 516 . 1 1 5 . HB2 H 37.790 27.497 9.260 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 4 . 517 . 1 1 5 . HB3 H 36.900 26.598 10.498 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 4 . 518 . 1 1 5 . HD2 H 37.623 25.047 8.268 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 4 . 519 . 1 1 5 . HD3 H 37.134 24.317 9.713 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 4 . 520 . 1 1 5 . HE2 H 39.268 23.196 10.039 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 4 . 521 . 1 1 5 . HE3 H 39.821 23.815 8.456 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 4 . 522 . 1 1 5 . HG2 H 39.058 25.363 11.075 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 4 . 523 . 1 1 5 . HG3 H 39.641 25.900 9.465 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 4 . 524 . 1 1 5 . HZ1 H 37.434 22.138 8.839 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 4 . 525 . 1 1 5 . HZ2 H 38.950 21.570 8.571 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 4 . 526 . 1 1 5 . HZ3 H 38.196 22.556 7.414 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 4 . 527 . 1 1 5 . N N 37.997 29.271 10.918 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 4 . 528 . 1 1 5 . NZ N 38.321 22.339 8.400 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 4 . 529 . 1 1 5 . O O 37.265 27.512 13.197 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 4 . 530 . 1 1 6 ASP C C 39.692 28.386 15.469 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 4 . 531 . 1 1 6 ASP CA C 39.627 27.097 14.676 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 4 . 532 . 1 1 6 ASP CB C 40.791 26.183 15.025 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 4 . 533 . 1 1 6 ASP CG C 42.111 26.566 14.384 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 4 . 534 . 1 1 6 ASP H H 40.405 27.459 12.749 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 4 . 535 . 1 1 6 ASP HA H 38.727 26.576 14.999 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 4 . 536 . 1 1 6 ASP HB2 H 40.834 26.244 16.119 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 4 . 537 . 1 1 6 ASP HB3 H 40.526 25.174 14.688 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 4 . 538 . 1 1 6 ASP N N 39.538 27.323 13.247 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 4 . 539 . 1 1 6 ASP O O 39.553 28.338 16.695 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 4 . 540 . 1 1 6 ASP OD1 O 42.989 25.812 13.890 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 4 . 541 . 1 1 6 ASP OD2 O 42.229 27.791 14.162 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 4 . 542 . 1 1 7 SER C C 39.422 31.977 15.073 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 4 . 543 . 1 1 7 SER CA C 40.238 30.767 15.492 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 4 . 544 . 1 1 7 SER CB C 41.684 31.018 15.094 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 4 . 545 . 1 1 7 SER H H 39.835 29.556 13.806 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 4 . 546 . 1 1 7 SER HA H 40.230 30.672 16.577 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 4 . 547 . 1 1 7 SER HB2 H 41.734 31.066 14.006 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 4 . 548 . 1 1 7 SER HB3 H 41.968 32.035 15.374 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 4 . 549 . 1 1 7 SER HG H 42.475 29.315 15.221 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 4 . 550 . 1 1 7 SER N N 39.850 29.542 14.814 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 4 . 551 . 1 1 7 SER O O 39.571 32.499 13.966 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 4 . 552 . 1 1 7 SER OG O 42.540 30.119 15.742 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 4 . 553 . 1 1 8 . C C 36.009 32.817 16.018 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 4 . 554 . 1 1 8 . CA C 37.369 33.338 15.572 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 4 . 555 . 1 1 8 . CB C 37.703 34.678 16.218 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 4 . 556 . 1 1 8 . CD1 C 40.105 35.104 15.749 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 4 . 557 . 1 1 8 . CD2 C 38.512 36.794 15.091 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 4 . 558 . 1 1 8 . CE1 C 41.149 35.811 15.144 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 4 . 559 . 1 1 8 . CE2 C 39.539 37.543 14.517 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 4 . 560 . 1 1 8 . CG C 38.781 35.493 15.537 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 4 . 561 . 1 1 8 . CZ C 40.855 37.059 14.556 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 4 . 562 . 1 1 8 . H H 38.257 31.889 16.728 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 4 . 563 . 1 1 8 . HA H 37.316 33.458 14.500 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 4 . 564 . 1 1 8 . HB2 H 37.940 34.567 17.279 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 4 . 565 . 1 1 8 . HB3 H 36.761 35.199 16.066 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 4 . 566 . 1 1 8 . HD1 H 40.223 34.166 16.277 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 4 . 567 . 1 1 8 . HD2 H 37.498 37.149 15.226 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 4 . 568 . 1 1 8 . HE1 H 42.181 35.478 15.173 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 4 . 569 . 1 1 8 . HE2 H 39.413 38.534 14.100 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 4 . 570 . 1 1 8 . HH H 41.465 38.682 13.718 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 4 . 571 . 1 1 8 . N N 38.406 32.358 15.844 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 4 . 572 . 1 1 8 . O O 35.897 32.138 17.042 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 4 . 573 . 1 1 8 . OH O 41.843 37.882 14.091 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 4 . 574 . 1 1 9 . C C 32.542 33.896 15.429 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 4 . 575 . 1 1 9 . CA C 33.581 32.778 15.430 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 4 . 576 . 1 1 9 . CB C 33.243 31.766 14.334 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 4 . 577 . 1 1 9 . H H 35.075 33.998 14.689 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 4 . 578 . 1 1 9 . HA H 33.513 32.225 16.365 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 4 . 579 . 1 1 9 . HB2 H 33.492 32.228 13.377 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 4 . 580 . 1 1 9 . HB3 H 32.167 31.630 14.438 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 4 . 581 . 1 1 9 . N N 34.961 33.195 15.294 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 4 . 582 . 1 1 9 . O O 31.954 34.114 14.370 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 4 . 583 . 1 1 9 . SG S 34.210 30.246 14.275 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 4 . 584 . 1 1 10 PRO C C 31.244 36.697 15.768 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 4 . 585 . 1 1 10 PRO CA C 31.220 35.494 16.705 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 4 . 586 . 1 1 10 PRO CB C 31.366 35.961 18.151 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 4 . 587 . 1 1 10 PRO CD C 33.071 34.510 17.809 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 4 . 588 . 1 1 10 PRO CG C 32.023 34.788 18.875 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 4 . 589 . 1 1 10 PRO HA H 30.288 34.939 16.597 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 4 . 590 . 1 1 10 PRO HB2 H 32.042 36.815 18.239 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 4 . 591 . 1 1 10 PRO HB3 H 30.357 36.200 18.500 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 4 . 592 . 1 1 10 PRO HD2 H 33.788 35.324 17.917 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 4 . 593 . 1 1 10 PRO HD3 H 33.465 33.514 18.016 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 4 . 594 . 1 1 10 PRO HG2 H 32.471 35.121 19.809 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 4 . 595 . 1 1 10 PRO HG3 H 31.355 33.938 18.964 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 4 . 596 . 1 1 10 PRO N N 32.333 34.571 16.560 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 4 . 597 . 1 1 10 PRO O O 32.261 37.188 15.294 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 4 . 598 . 1 1 11 . C C 30.448 38.018 13.014 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 4 . 599 . 1 1 11 . CA C 29.778 38.100 14.383 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 4 . 600 . 1 1 11 . CB C 28.282 38.248 14.145 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 4 . 601 . 1 1 11 . H H 29.226 36.628 15.816 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 4 . 602 . 1 1 11 . HA H 30.181 39.025 14.797 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 4 . 603 . 1 1 11 . HB2 H 28.105 39.206 13.661 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 4 . 604 . 1 1 11 . HB3 H 27.704 38.324 15.061 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 4 . 605 . 1 1 11 . HG H 27.753 36.407 13.960 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 4 . 606 . 1 1 11 . N N 30.029 37.061 15.362 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 4 . 607 . 1 1 11 . O O 30.746 39.050 12.413 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 4 . 608 . 1 1 11 . OG O 27.718 37.187 13.405 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 5 . 609 . 1 1 1 DAL C C 32.739 36.803 11.289 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 5 . 610 . 1 1 1 DAL CA C 31.260 36.558 11.485 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 5 . 611 . 1 1 1 DAL CB C 30.748 35.121 11.323 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 5 . 612 . 1 1 1 DAL H1 H 30.510 36.427 13.484 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 5 . 613 . 1 1 1 DAL HA H 30.877 37.226 10.706 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 5 . 614 . 1 1 1 DAL HB1 H 29.703 35.074 11.626 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 5 . 615 . 1 1 1 DAL HB2 H 31.314 34.443 11.958 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 5 . 616 . 1 1 1 DAL HB3 H 30.857 34.858 10.278 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 5 . 617 . 1 1 1 DAL N N 30.723 37.067 12.732 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 5 . 618 . 1 1 1 DAL O O 33.205 36.810 10.154 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 5 . 619 . 1 1 2 GLN C C 35.835 36.152 12.536 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 5 . 620 . 1 1 2 GLN CA C 34.948 37.363 12.280 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 5 . 621 . 1 1 2 GLN CB C 35.272 38.563 13.162 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 5 . 622 . 1 1 2 GLN CD C 34.249 40.480 11.854 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 5 . 623 . 1 1 2 GLN CG C 34.336 39.763 13.197 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 5 . 624 . 1 1 2 GLN H H 33.153 37.037 13.277 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 5 . 625 . 1 1 2 GLN HA H 35.124 37.658 11.249 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 5 . 626 . 1 1 2 GLN HB2 H 35.482 38.158 14.160 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 5 . 627 . 1 1 2 GLN HB3 H 36.266 38.943 12.939 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 5 . 628 . 1 1 2 GLN HE21 H 32.321 40.116 11.811 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 5 . 629 . 1 1 2 GLN HE22 H 32.759 41.048 10.489 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 5 . 630 . 1 1 2 GLN HG2 H 33.354 39.599 13.637 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 5 . 631 . 1 1 2 GLN HG3 H 34.862 40.385 13.928 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 5 . 632 . 1 1 2 GLN N N 33.541 37.010 12.340 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 5 . 633 . 1 1 2 GLN NE2 N 33.079 40.423 11.217 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 5 . 634 . 1 1 2 GLN O O 35.570 35.326 13.410 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 5 . 635 . 1 1 2 GLN OE1 O 35.226 40.934 11.261 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 5 . 636 . 1 1 3 DPR C C 36.989 33.538 11.468 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 5 . 637 . 1 1 3 DPR CA C 37.774 34.802 11.779 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 5 . 638 . 1 1 3 DPR CB C 38.744 34.952 10.609 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 5 . 639 . 1 1 3 DPR CD C 37.707 37.024 11.117 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 5 . 640 . 1 1 3 DPR CG C 38.977 36.451 10.480 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 5 . 641 . 1 1 3 DPR HA H 38.279 34.562 12.707 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 5 . 642 . 1 1 3 DPR HB2 H 38.280 34.651 9.670 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 5 . 643 . 1 1 3 DPR HB3 H 39.699 34.413 10.697 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 5 . 644 . 1 1 3 DPR HD2 H 37.156 37.371 10.240 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 5 . 645 . 1 1 3 DPR HD3 H 38.046 37.836 11.751 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 5 . 646 . 1 1 3 DPR HG2 H 39.139 36.787 9.459 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 5 . 647 . 1 1 3 DPR HG3 H 39.808 36.716 11.138 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 5 . 648 . 1 1 3 DPR N N 36.983 36.017 11.857 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 5 . 649 . 1 1 3 DPR O O 36.027 33.629 10.709 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 5 . 650 . 1 1 4 . C C 38.156 30.125 11.593 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 5 . 651 . 1 1 4 . CA C 36.958 31.051 11.645 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 5 . 652 . 1 1 4 . CB C 35.919 30.663 12.695 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 5 . 653 . 1 1 4 . H H 38.365 32.334 12.317 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 5 . 654 . 1 1 4 . HA H 36.556 31.002 10.632 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 5 . 655 . 1 1 4 . HB2 H 35.957 31.387 13.515 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 5 . 656 . 1 1 4 . HB3 H 36.175 29.722 13.188 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 5 . 657 . 1 1 4 . N N 37.413 32.383 11.985 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 5 . 658 . 1 1 4 . O O 39.238 30.467 12.059 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 5 . 659 . 1 1 4 . SG S 34.226 30.374 12.114 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 5 . 660 . 1 1 5 . C C 39.460 27.465 12.348 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 5 . 661 . 1 1 5 . CA C 38.982 27.909 10.974 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 5 . 662 . 1 1 5 . CB C 38.517 26.733 10.131 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 5 . 663 . 1 1 5 . CD C 39.191 24.548 9.175 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 5 . 664 . 1 1 5 . CE C 40.453 23.775 8.806 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 5 . 665 . 1 1 5 . CG C 39.687 25.788 9.912 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 5 . 666 . 1 1 5 . H H 37.055 28.701 10.644 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 5 . 667 . 1 1 5 . HA H 39.883 28.308 10.505 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 5 . 668 . 1 1 5 . HB2 H 38.180 27.066 9.155 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 5 . 669 . 1 1 5 . HB3 H 37.732 26.183 10.651 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 5 . 670 . 1 1 5 . HD2 H 38.681 24.825 8.246 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 5 . 671 . 1 1 5 . HD3 H 38.544 23.899 9.762 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 5 . 672 . 1 1 5 . HE2 H 40.966 23.384 9.689 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 5 . 673 . 1 1 5 . HE3 H 41.153 24.451 8.308 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 5 . 674 . 1 1 5 . HG2 H 40.169 25.406 10.814 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 5 . 675 . 1 1 5 . HG3 H 40.498 26.252 9.343 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 5 . 676 . 1 1 5 . HZ1 H 39.763 21.917 8.131 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 5 . 677 . 1 1 5 . HZ2 H 41.330 22.331 7.755 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 5 . 678 . 1 1 5 . HZ3 H 40.020 22.965 6.958 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 5 . 679 . 1 1 5 . N N 37.976 28.956 10.959 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 5 . 680 . 1 1 5 . NZ N 40.385 22.656 7.849 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 5 . 681 . 1 1 5 . O O 38.768 26.755 13.086 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 5 . 682 . 1 1 6 ASP C C 40.506 28.281 15.169 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 5 . 683 . 1 1 6 ASP CA C 41.254 27.564 14.045 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 5 . 684 . 1 1 6 ASP CB C 42.727 27.951 13.977 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 5 . 685 . 1 1 6 ASP CG C 43.009 29.381 13.535 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 5 . 686 . 1 1 6 ASP H H 41.206 28.297 12.020 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 5 . 687 . 1 1 6 ASP HA H 41.260 26.489 14.200 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 5 . 688 . 1 1 6 ASP HB2 H 43.301 27.664 14.857 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 5 . 689 . 1 1 6 ASP HB3 H 43.190 27.366 13.181 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 5 . 690 . 1 1 6 ASP N N 40.658 27.873 12.766 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 5 . 691 . 1 1 6 ASP O O 40.363 27.736 16.264 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 5 . 692 . 1 1 6 ASP OD1 O 43.290 29.533 12.332 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 5 . 693 . 1 1 6 ASP OD2 O 42.887 30.404 14.244 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 5 . 694 . 1 1 7 SER C C 38.674 31.577 15.376 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 5 . 695 . 1 1 7 SER CA C 39.492 30.417 15.937 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 5 . 696 . 1 1 7 SER CB C 40.580 30.958 16.869 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 5 . 697 . 1 1 7 SER H H 40.307 29.985 14.099 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 5 . 698 . 1 1 7 SER HA H 38.817 29.801 16.526 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 5 . 699 . 1 1 7 SER HB2 H 40.155 31.526 17.694 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 5 . 700 . 1 1 7 SER HB3 H 41.104 30.078 17.248 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 5 . 701 . 1 1 7 SER HG H 41.939 31.161 15.485 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 5 . 702 . 1 1 7 SER N N 40.188 29.566 14.999 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 5 . 703 . 1 1 7 SER O O 39.013 32.091 14.309 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 5 . 704 . 1 1 7 SER OG O 41.534 31.712 16.162 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 5 . 705 . 1 1 8 . C C 35.369 32.790 16.011 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 5 . 706 . 1 1 8 . CA C 36.836 33.141 15.820 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 5 . 707 . 1 1 8 . CB C 37.367 34.236 16.731 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 5 . 708 . 1 1 8 . CD1 C 39.814 34.674 16.053 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 5 . 709 . 1 1 8 . CD2 C 38.032 36.157 15.362 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 5 . 710 . 1 1 8 . CE1 C 40.757 35.510 15.437 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 5 . 711 . 1 1 8 . CE2 C 38.926 36.950 14.629 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 5 . 712 . 1 1 8 . CG C 38.472 35.079 16.138 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 5 . 713 . 1 1 8 . CZ C 40.290 36.626 14.710 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 5 . 714 . 1 1 8 . H H 37.455 31.463 16.960 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 5 . 715 . 1 1 8 . HA H 37.036 33.382 14.763 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 5 . 716 . 1 1 8 . HB2 H 37.645 33.849 17.710 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 5 . 717 . 1 1 8 . HB3 H 36.497 34.866 16.922 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 5 . 718 . 1 1 8 . HD1 H 40.075 33.843 16.686 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 5 . 719 . 1 1 8 . HD2 H 36.969 36.312 15.289 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 5 . 720 . 1 1 8 . HE1 H 41.802 35.242 15.514 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 5 . 721 . 1 1 8 . HE2 H 38.620 37.783 14.007 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 5 . 722 . 1 1 8 . HH H 40.860 38.137 13.760 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 5 . 723 . 1 1 8 . N N 37.701 32.029 16.160 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 5 . 724 . 1 1 8 . O O 34.992 32.220 17.033 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 5 . 725 . 1 1 8 . OH O 41.286 37.382 14.160 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 5 . 726 . 1 1 9 . C C 32.167 34.014 15.349 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 5 . 727 . 1 1 9 . CA C 33.033 32.768 15.287 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 5 . 728 . 1 1 9 . CB C 32.601 31.866 14.127 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 5 . 729 . 1 1 9 . H H 34.704 33.547 14.261 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 5 . 730 . 1 1 9 . HA H 32.834 32.254 16.228 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 5 . 731 . 1 1 9 . HB2 H 32.753 32.464 13.237 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 5 . 732 . 1 1 9 . HB3 H 31.520 31.788 14.279 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 5 . 733 . 1 1 9 . N N 34.435 33.036 15.087 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 5 . 734 . 1 1 9 . O O 31.467 34.432 14.428 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 5 . 735 . 1 1 9 . SG S 33.329 30.225 13.936 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 5 . 736 . 1 1 10 PRO C C 31.401 37.034 15.683 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 5 . 737 . 1 1 10 PRO CA C 31.405 35.957 16.765 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 5 . 738 . 1 1 10 PRO CB C 31.878 36.510 18.113 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 5 . 739 . 1 1 10 PRO CD C 33.033 34.523 17.598 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 5 . 740 . 1 1 10 PRO CG C 32.371 35.233 18.774 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 5 . 741 . 1 1 10 PRO HA H 30.364 35.701 16.946 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 5 . 742 . 1 1 10 PRO HB2 H 32.701 37.205 17.964 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 5 . 743 . 1 1 10 PRO HB3 H 31.075 36.903 18.734 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 5 . 744 . 1 1 10 PRO HD2 H 33.996 34.929 17.300 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 5 . 745 . 1 1 10 PRO HD3 H 33.112 33.495 17.955 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 5 . 746 . 1 1 10 PRO HG2 H 33.130 35.451 19.527 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 5 . 747 . 1 1 10 PRO HG3 H 31.616 34.608 19.264 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 5 . 748 . 1 1 10 PRO N N 32.165 34.764 16.461 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 5 . 749 . 1 1 10 PRO O O 32.425 37.360 15.086 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 5 . 750 . 1 1 11 . C C 30.543 38.368 12.954 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 5 . 751 . 1 1 11 . CA C 30.227 38.751 14.384 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 5 . 752 . 1 1 11 . CB C 28.874 39.466 14.425 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 5 . 753 . 1 1 11 . H H 29.455 37.364 15.835 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 5 . 754 . 1 1 11 . HA H 31.052 39.446 14.532 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 5 . 755 . 1 1 11 . HB2 H 29.031 40.426 13.943 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 5 . 756 . 1 1 11 . HB3 H 28.660 39.610 15.473 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 5 . 757 . 1 1 11 . HG H 27.000 39.278 13.685 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 5 . 758 . 1 1 11 . N N 30.273 37.636 15.314 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 5 . 759 . 1 1 11 . O O 30.765 39.212 12.085 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 5 . 760 . 1 1 11 . OG O 27.834 38.809 13.733 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 6 . 761 . 1 1 1 DAL C C 32.972 36.882 11.317 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 6 . 762 . 1 1 1 DAL CA C 31.453 36.850 11.383 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 6 . 763 . 1 1 1 DAL CB C 30.738 35.674 10.734 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 6 . 764 . 1 1 1 DAL H1 H 30.986 36.293 13.337 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 6 . 765 . 1 1 1 DAL HA H 31.185 37.734 10.800 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 6 . 766 . 1 1 1 DAL HB1 H 30.842 35.692 9.646 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 6 . 767 . 1 1 1 DAL HB2 H 29.681 35.603 10.979 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 6 . 768 . 1 1 1 DAL HB3 H 31.239 34.741 11.011 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 6 . 769 . 1 1 1 DAL N N 30.899 37.070 12.704 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 6 . 770 . 1 1 1 DAL O O 33.568 36.812 10.248 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 6 . 771 . 1 1 2 GLN C C 35.902 36.184 12.551 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 6 . 772 . 1 1 2 GLN CA C 34.991 37.398 12.567 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 6 . 773 . 1 1 2 GLN CB C 35.222 38.307 13.778 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 6 . 774 . 1 1 2 GLN CD C 34.617 40.496 14.866 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 6 . 775 . 1 1 2 GLN CG C 34.274 39.495 13.771 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 6 . 776 . 1 1 2 GLN H H 33.110 36.957 13.377 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 6 . 777 . 1 1 2 GLN HA H 35.228 37.967 11.663 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 6 . 778 . 1 1 2 GLN HB2 H 35.162 37.717 14.692 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 6 . 779 . 1 1 2 GLN HB3 H 36.244 38.677 13.724 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 6 . 780 . 1 1 2 GLN HE21 H 32.665 41.158 14.975 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 6 . 781 . 1 1 2 GLN HE22 H 33.921 42.078 15.828 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 6 . 782 . 1 1 2 GLN HG2 H 34.371 39.928 12.767 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 6 . 783 . 1 1 2 GLN HG3 H 33.256 39.129 13.897 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 6 . 784 . 1 1 2 GLN N N 33.591 37.039 12.491 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 6 . 785 . 1 1 2 GLN NE2 N 33.625 41.305 15.247 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 6 . 786 . 1 1 2 GLN O O 35.527 35.192 13.180 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 6 . 787 . 1 1 2 GLN OE1 O 35.710 40.614 15.424 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 6 . 788 . 1 1 3 DPR C C 37.170 33.710 11.294 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 6 . 789 . 1 1 3 DPR CA C 37.901 34.959 11.770 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 6 . 790 . 1 1 3 DPR CB C 39.000 35.376 10.799 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 6 . 791 . 1 1 3 DPR CD C 37.729 37.285 11.308 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 6 . 792 . 1 1 3 DPR CG C 39.176 36.873 11.051 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 6 . 793 . 1 1 3 DPR HA H 38.296 34.800 12.775 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 6 . 794 . 1 1 3 DPR HB2 H 38.739 35.330 9.748 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 6 . 795 . 1 1 3 DPR HB3 H 39.848 34.771 11.133 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 6 . 796 . 1 1 3 DPR HD2 H 37.204 37.691 10.447 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 6 . 797 . 1 1 3 DPR HD3 H 37.814 37.978 12.156 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 6 . 798 . 1 1 3 DPR HG2 H 39.567 37.458 10.227 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 6 . 799 . 1 1 3 DPR HG3 H 39.743 36.941 11.981 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 6 . 800 . 1 1 3 DPR N N 37.048 36.133 11.877 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 6 . 801 . 1 1 3 DPR O O 36.143 33.819 10.623 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 6 . 802 . 1 1 4 . C C 38.147 30.090 11.431 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 6 . 803 . 1 1 4 . CA C 37.130 31.218 11.334 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 6 . 804 . 1 1 4 . CB C 36.215 30.975 12.537 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 6 . 805 . 1 1 4 . H H 38.440 32.601 12.273 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 6 . 806 . 1 1 4 . HA H 36.580 31.271 10.396 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 6 . 807 . 1 1 4 . HB2 H 35.738 31.925 12.798 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 6 . 808 . 1 1 4 . HB3 H 36.745 30.725 13.455 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 6 . 809 . 1 1 4 . N N 37.674 32.522 11.620 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 6 . 810 . 1 1 4 . O O 39.224 30.319 11.995 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 6 . 811 . 1 1 4 . SG S 34.912 29.724 12.363 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 6 . 812 . 1 1 5 . C C 38.714 27.447 12.612 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 6 . 813 . 1 1 5 . CA C 38.896 27.830 11.156 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 6 . 814 . 1 1 5 . CB C 38.645 26.571 10.336 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 6 . 815 . 1 1 5 . CD C 39.250 24.136 9.701 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 6 . 816 . 1 1 5 . CE C 40.307 23.071 9.999 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 6 . 817 . 1 1 5 . CG C 39.481 25.328 10.623 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 6 . 818 . 1 1 5 . H H 37.131 28.714 10.328 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 6 . 819 . 1 1 5 . HA H 39.920 28.132 10.949 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 6 . 820 . 1 1 5 . HB2 H 38.718 26.849 9.287 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 6 . 821 . 1 1 5 . HB3 H 37.599 26.361 10.557 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 6 . 822 . 1 1 5 . HD2 H 39.275 24.456 8.661 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 6 . 823 . 1 1 5 . HD3 H 38.298 23.685 9.979 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 6 . 824 . 1 1 5 . HE2 H 41.311 23.418 9.735 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 6 . 825 . 1 1 5 . HE3 H 40.014 22.163 9.471 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 6 . 826 . 1 1 5 . HG2 H 39.251 24.992 11.634 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 6 . 827 . 1 1 5 . HG3 H 40.549 25.587 10.672 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 6 . 828 . 1 1 5 . HZ1 H 40.627 23.487 12.065 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 6 . 829 . 1 1 5 . HZ2 H 40.939 21.903 11.540 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 6 . 830 . 1 1 5 . HZ3 H 39.498 22.569 11.869 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 6 . 831 . 1 1 5 . N N 37.986 28.920 10.830 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 6 . 832 . 1 1 5 . NZ N 40.391 22.735 11.427 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 6 . 833 . 1 1 5 . O O 37.603 27.087 12.997 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 6 . 834 . 1 1 6 ASP C C 40.200 28.635 15.680 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 6 . 835 . 1 1 6 ASP CA C 39.687 27.449 14.883 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 6 . 836 . 1 1 6 ASP CB C 40.424 26.150 15.190 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 6 . 837 . 1 1 6 ASP CG C 39.933 24.895 14.484 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 6 . 838 . 1 1 6 ASP H H 40.660 27.874 13.117 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 6 . 839 . 1 1 6 ASP HA H 38.660 27.347 15.249 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 6 . 840 . 1 1 6 ASP HB2 H 41.482 26.292 14.938 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 6 . 841 . 1 1 6 ASP HB3 H 40.384 25.989 16.264 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 6 . 842 . 1 1 6 ASP N N 39.744 27.647 13.450 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 6 . 843 . 1 1 6 ASP O O 40.626 28.544 16.823 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 6 . 844 . 1 1 6 ASP OD1 O 38.835 24.407 14.825 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 6 . 845 . 1 1 6 ASP OD2 O 40.578 24.369 13.551 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 6 . 846 . 1 1 7 SER C C 39.297 32.050 14.905 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 6 . 847 . 1 1 7 SER CA C 40.409 31.137 15.393 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 6 . 848 . 1 1 7 SER CB C 41.818 31.488 14.915 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 6 . 849 . 1 1 7 SER H H 39.587 29.724 14.112 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 6 . 850 . 1 1 7 SER HA H 40.379 31.085 16.488 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 6 . 851 . 1 1 7 SER HB2 H 41.869 31.599 13.834 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 6 . 852 . 1 1 7 SER HB3 H 42.072 32.456 15.341 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 6 . 853 . 1 1 7 SER HG H 43.587 30.860 15.025 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 6 . 854 . 1 1 7 SER N N 40.025 29.791 15.024 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 6 . 855 . 1 1 7 SER O O 39.373 32.641 13.825 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 6 . 856 . 1 1 7 SER OG O 42.746 30.502 15.326 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 6 . 857 . 1 1 8 . C C 35.745 32.459 15.638 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 6 . 858 . 1 1 8 . CA C 37.118 33.080 15.465 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 6 . 859 . 1 1 8 . CB C 37.404 34.248 16.407 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 6 . 860 . 1 1 8 . CD1 C 39.787 34.994 16.499 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 6 . 861 . 1 1 8 . CD2 C 38.181 36.451 15.418 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 6 . 862 . 1 1 8 . CE1 C 40.868 35.814 16.163 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 6 . 863 . 1 1 8 . CE2 C 39.238 37.336 15.175 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 6 . 864 . 1 1 8 . CG C 38.495 35.213 16.002 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 6 . 865 . 1 1 8 . CZ C 40.571 37.026 15.507 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 6 . 866 . 1 1 8 . H H 38.342 31.742 16.582 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 6 . 867 . 1 1 8 . HA H 37.114 33.461 14.446 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 6 . 868 . 1 1 8 . HB2 H 37.581 33.772 17.374 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 6 . 869 . 1 1 8 . HB3 H 36.508 34.845 16.590 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 6 . 870 . 1 1 8 . HD1 H 39.996 34.113 17.083 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 6 . 871 . 1 1 8 . HD2 H 37.153 36.777 15.303 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 6 . 872 . 1 1 8 . HE1 H 41.898 35.587 16.412 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 6 . 873 . 1 1 8 . HE2 H 39.052 38.347 14.832 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 6 . 874 . 1 1 8 . HH H 41.152 38.778 15.033 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 6 . 875 . 1 1 8 . N N 38.216 32.160 15.678 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 6 . 876 . 1 1 8 . O O 35.701 31.355 16.179 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 6 . 877 . 1 1 8 . OH O 41.552 37.952 15.302 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 6 . 878 . 1 1 9 . C C 32.304 33.790 15.166 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 6 . 879 . 1 1 9 . CA C 33.313 32.645 15.094 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 6 . 880 . 1 1 9 . CB C 33.105 31.735 13.885 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 6 . 881 . 1 1 9 . H H 34.850 33.891 14.511 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 6 . 882 . 1 1 9 . HA H 33.040 32.003 15.927 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 6 . 883 . 1 1 9 . HB2 H 33.297 32.269 12.953 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 6 . 884 . 1 1 9 . HB3 H 32.059 31.620 13.646 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 6 . 885 . 1 1 9 . N N 34.701 33.064 15.061 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 6 . 886 . 1 1 9 . O O 31.668 34.044 14.151 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 6 . 887 . 1 1 9 . SG S 33.839 30.094 14.059 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 6 . 888 . 1 1 10 PRO C C 31.287 36.539 15.803 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 6 . 889 . 1 1 10 PRO CA C 31.136 35.341 16.730 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 6 . 890 . 1 1 10 PRO CB C 31.383 35.686 18.193 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 6 . 891 . 1 1 10 PRO CD C 32.722 33.841 17.599 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 6 . 892 . 1 1 10 PRO CG C 31.873 34.360 18.760 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 6 . 893 . 1 1 10 PRO HA H 30.157 34.874 16.573 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 6 . 894 . 1 1 10 PRO HB2 H 32.236 36.362 18.204 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 6 . 895 . 1 1 10 PRO HB3 H 30.553 36.057 18.800 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 6 . 896 . 1 1 10 PRO HD2 H 33.670 34.376 17.660 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 6 . 897 . 1 1 10 PRO HD3 H 32.850 32.782 17.814 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 6 . 898 . 1 1 10 PRO HG2 H 32.431 34.358 19.693 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 6 . 899 . 1 1 10 PRO HG3 H 30.967 33.772 18.954 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 6 . 900 . 1 1 10 PRO N N 32.084 34.301 16.383 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 6 . 901 . 1 1 10 PRO O O 32.396 36.972 15.513 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 6 . 902 . 1 1 11 . C C 30.581 38.277 13.175 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 6 . 903 . 1 1 11 . CA C 30.136 38.370 14.625 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 6 . 904 . 1 1 11 . CB C 28.775 39.060 14.724 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 6 . 905 . 1 1 11 . H H 29.310 36.828 15.811 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 6 . 906 . 1 1 11 . HA H 30.865 39.038 15.085 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 6 . 907 . 1 1 11 . HB2 H 27.993 38.319 14.601 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 6 . 908 . 1 1 11 . HB3 H 28.701 39.846 13.971 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 6 . 909 . 1 1 11 . HG H 27.913 40.155 16.123 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 6 . 910 . 1 1 11 . N N 30.170 37.126 15.368 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 6 . 911 . 1 1 11 . O O 30.728 39.287 12.482 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 6 . 912 . 1 1 11 . OG O 28.669 39.567 16.043 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 7 . 913 . 1 1 1 DAL C C 32.800 36.457 11.273 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 7 . 914 . 1 1 1 DAL CA C 31.315 36.166 11.425 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 7 . 915 . 1 1 1 DAL CB C 31.164 34.647 11.288 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 7 . 916 . 1 1 1 DAL H1 H 31.029 35.729 13.368 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 7 . 917 . 1 1 1 DAL HA H 30.715 36.648 10.659 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 7 . 918 . 1 1 1 DAL HB1 H 31.564 34.353 10.321 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 7 . 919 . 1 1 1 DAL HB2 H 30.128 34.331 11.211 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 7 . 920 . 1 1 1 DAL HB3 H 31.757 34.124 12.036 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 7 . 921 . 1 1 1 DAL N N 30.799 36.494 12.737 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 7 . 922 . 1 1 1 DAL O O 33.403 36.229 10.226 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 7 . 923 . 1 1 2 GLN C C 35.804 36.260 12.216 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 7 . 924 . 1 1 2 GLN CA C 34.815 37.418 12.168 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 7 . 925 . 1 1 2 GLN CB C 35.179 38.416 13.255 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 7 . 926 . 1 1 2 GLN CD C 35.094 40.782 14.192 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 7 . 927 . 1 1 2 GLN CG C 34.509 39.786 13.198 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 7 . 928 . 1 1 2 GLN H H 33.029 37.157 13.227 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 7 . 929 . 1 1 2 GLN HA H 34.891 37.927 11.206 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 7 . 930 . 1 1 2 GLN HB2 H 34.900 37.915 14.177 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 7 . 931 . 1 1 2 GLN HB3 H 36.267 38.493 13.265 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 7 . 932 . 1 1 2 GLN HE21 H 34.203 42.355 13.292 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 7 . 933 . 1 1 2 GLN HE22 H 34.919 42.762 14.795 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 7 . 934 . 1 1 2 GLN HG2 H 34.548 40.219 12.197 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 7 . 935 . 1 1 2 GLN HG3 H 33.467 39.583 13.432 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 7 . 936 . 1 1 2 GLN N N 33.429 36.997 12.323 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 7 . 937 . 1 1 2 GLN NE2 N 34.799 42.084 14.060 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 7 . 938 . 1 1 2 GLN O O 35.557 35.270 12.895 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 7 . 939 . 1 1 2 GLN OE1 O 35.764 40.426 15.153 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 7 . 940 . 1 1 3 DPR C C 37.635 34.099 10.866 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 7 . 941 . 1 1 3 DPR CA C 38.043 35.368 11.604 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 7 . 942 . 1 1 3 DPR CB C 39.317 36.033 11.065 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 7 . 943 . 1 1 3 DPR CD C 37.406 37.526 10.863 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 7 . 944 . 1 1 3 DPR CG C 38.817 37.280 10.348 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 7 . 945 . 1 1 3 DPR HA H 38.340 35.089 12.617 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 7 . 946 . 1 1 3 DPR HB2 H 39.807 35.348 10.379 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 7 . 947 . 1 1 3 DPR HB3 H 39.952 36.343 11.898 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 7 . 948 . 1 1 3 DPR HD2 H 36.637 37.659 10.108 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 7 . 949 . 1 1 3 DPR HD3 H 37.614 38.427 11.446 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 7 . 950 . 1 1 3 DPR HG2 H 38.815 37.043 9.281 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 7 . 951 . 1 1 3 DPR HG3 H 39.520 38.091 10.502 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 7 . 952 . 1 1 3 DPR N N 37.025 36.387 11.678 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 7 . 953 . 1 1 3 DPR O O 37.036 34.155 9.802 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 7 . 954 . 1 1 4 . C C 38.357 30.466 11.257 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 7 . 955 . 1 1 4 . CA C 37.418 31.629 10.989 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 7 . 956 . 1 1 4 . CB C 36.258 31.466 11.965 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 7 . 957 . 1 1 4 . H H 38.721 32.859 12.062 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 7 . 958 . 1 1 4 . HA H 37.001 31.564 9.984 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 7 . 959 . 1 1 4 . HB2 H 35.761 32.434 11.979 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 7 . 960 . 1 1 4 . HB3 H 36.763 31.487 12.920 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 7 . 961 . 1 1 4 . N N 38.047 32.901 11.309 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 7 . 962 . 1 1 4 . O O 39.292 30.512 12.055 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 7 . 963 . 1 1 4 . SG S 34.971 30.188 12.082 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 7 . 964 . 1 1 5 . C C 38.374 27.647 12.554 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 7 . 965 . 1 1 5 . CA C 38.632 28.042 11.109 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 7 . 966 . 1 1 5 . CB C 38.146 26.900 10.213 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 7 . 967 . 1 1 5 . CD C 37.865 24.535 9.656 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 7 . 968 . 1 1 5 . CE C 38.306 23.125 10.005 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 7 . 969 . 1 1 5 . CG C 38.556 25.489 10.626 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 7 . 970 . 1 1 5 . H H 37.219 29.237 10.101 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 7 . 971 . 1 1 5 . HA H 39.706 28.069 10.916 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 7 . 972 . 1 1 5 . HB2 H 38.512 27.032 9.197 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 7 . 973 . 1 1 5 . HB3 H 37.069 26.797 10.065 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 7 . 974 . 1 1 5 . HD2 H 38.221 24.686 8.634 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 7 . 975 . 1 1 5 . HD3 H 36.774 24.600 9.696 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 7 . 976 . 1 1 5 . HE2 H 39.308 22.837 9.672 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 7 . 977 . 1 1 5 . HE3 H 37.576 22.546 9.453 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 7 . 978 . 1 1 5 . HG2 H 38.235 25.382 11.661 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 7 . 979 . 1 1 5 . HG3 H 39.643 25.435 10.608 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 7 . 980 . 1 1 5 . HZ1 H 39.101 23.124 11.902 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 7 . 981 . 1 1 5 . HZ2 H 38.336 21.819 11.610 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 7 . 982 . 1 1 5 . HZ3 H 37.424 23.199 11.873 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 7 . 983 . 1 1 5 . N N 38.023 29.293 10.715 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 7 . 984 . 1 1 5 . NZ N 38.249 22.819 11.442 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 7 . 985 . 1 1 5 . O O 37.227 27.512 12.984 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 7 . 986 . 1 1 6 ASP C C 40.092 28.228 15.578 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 7 . 987 . 1 1 6 ASP CA C 39.629 27.126 14.639 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 7 . 988 . 1 1 6 ASP CB C 40.480 25.865 14.713 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 7 . 989 . 1 1 6 ASP CG C 40.180 24.757 13.714 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 7 . 990 . 1 1 6 ASP H H 40.301 27.864 12.733 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 7 . 991 . 1 1 6 ASP HA H 38.646 26.802 14.971 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 7 . 992 . 1 1 6 ASP HB2 H 41.518 26.173 14.574 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 7 . 993 . 1 1 6 ASP HB3 H 40.309 25.398 15.683 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 7 . 994 . 1 1 6 ASP N N 39.497 27.628 13.284 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 7 . 995 . 1 1 6 ASP O O 40.477 27.994 16.724 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 7 . 996 . 1 1 6 ASP OD1 O 39.165 24.027 13.810 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 7 . 997 . 1 1 6 ASP OD2 O 41.057 24.534 12.852 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 7 . 998 . 1 1 7 SER C C 38.998 31.785 15.430 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 7 . 999 . 1 1 7 SER CA C 39.815 30.655 16.050 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 7 . 1000 . 1 1 7 SER CB C 41.203 31.216 16.333 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 7 . 1001 . 1 1 7 SER H H 39.709 29.691 14.233 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 7 . 1002 . 1 1 7 SER HA H 39.365 30.299 16.981 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 7 . 1003 . 1 1 7 SER HB2 H 41.646 31.552 15.398 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 7 . 1004 . 1 1 7 SER HB3 H 41.077 32.049 17.027 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 7 . 1005 . 1 1 7 SER HG H 41.628 29.375 16.734 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 7 . 1006 . 1 1 7 SER N N 39.960 29.496 15.193 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 7 . 1007 . 1 1 7 SER O O 39.070 31.931 14.217 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 7 . 1008 . 1 1 7 SER OG O 41.966 30.234 17.005 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 7 . 1009 . 1 1 8 . C C 35.884 32.956 16.099 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 7 . 1010 . 1 1 8 . CA C 37.237 33.577 15.758 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 7 . 1011 . 1 1 8 . CB C 37.419 34.876 16.537 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 7 . 1012 . 1 1 8 . CD1 C 39.639 35.545 15.550 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 7 . 1013 . 1 1 8 . CD2 C 37.933 37.210 15.622 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 7 . 1014 . 1 1 8 . CE1 C 40.503 36.404 14.861 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 7 . 1015 . 1 1 8 . CE2 C 38.733 38.081 14.866 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 7 . 1016 . 1 1 8 . CG C 38.319 35.891 15.875 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 7 . 1017 . 1 1 8 . CZ C 40.036 37.681 14.504 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 7 . 1018 . 1 1 8 . H H 38.227 32.367 17.143 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 7 . 1019 . 1 1 8 . HA H 37.264 33.846 14.697 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 7 . 1020 . 1 1 8 . HB2 H 37.679 34.634 17.562 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 7 . 1021 . 1 1 8 . HB3 H 36.440 35.342 16.515 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 7 . 1022 . 1 1 8 . HD1 H 40.045 34.556 15.728 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 7 . 1023 . 1 1 8 . HD2 H 36.904 37.498 15.780 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 7 . 1024 . 1 1 8 . HE1 H 41.457 36.070 14.483 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 7 . 1025 . 1 1 8 . HE2 H 38.474 39.102 14.643 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 7 . 1026 . 1 1 8 . HH H 40.192 39.154 13.329 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 7 . 1027 . 1 1 8 . N N 38.201 32.583 16.154 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 7 . 1028 . 1 1 8 . O O 35.717 32.134 17.005 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 7 . 1029 . 1 1 8 . OH O 40.767 38.460 13.652 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 7 . 1030 . 1 1 9 . C C 32.481 33.827 15.386 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 7 . 1031 . 1 1 9 . CA C 33.589 32.801 15.179 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 7 . 1032 . 1 1 9 . CB C 33.428 32.045 13.872 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 7 . 1033 . 1 1 9 . H H 35.099 34.123 14.634 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 7 . 1034 . 1 1 9 . HA H 33.477 32.049 15.954 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 7 . 1035 . 1 1 9 . HB2 H 33.928 32.561 13.051 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 7 . 1036 . 1 1 9 . HB3 H 32.358 31.902 13.704 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 7 . 1037 . 1 1 9 . N N 34.914 33.379 15.300 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 7 . 1038 . 1 1 9 . O O 31.905 34.302 14.406 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 7 . 1039 . 1 1 9 . SG S 34.310 30.467 13.995 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 7 . 1040 . 1 1 10 PRO C C 31.485 36.563 16.020 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 7 . 1041 . 1 1 10 PRO CA C 31.356 35.363 16.942 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 7 . 1042 . 1 1 10 PRO CB C 31.439 35.747 18.417 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 7 . 1043 . 1 1 10 PRO CD C 32.892 33.966 17.895 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 7 . 1044 . 1 1 10 PRO CG C 31.925 34.411 18.991 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 7 . 1045 . 1 1 10 PRO HA H 30.390 34.870 16.811 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 7 . 1046 . 1 1 10 PRO HB2 H 32.211 36.503 18.568 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 7 . 1047 . 1 1 10 PRO HB3 H 30.485 36.054 18.855 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 7 . 1048 . 1 1 10 PRO HD2 H 33.834 34.442 18.153 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 7 . 1049 . 1 1 10 PRO HD3 H 33.006 32.888 18.055 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 7 . 1050 . 1 1 10 PRO HG2 H 32.433 34.573 19.951 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 7 . 1051 . 1 1 10 PRO HG3 H 31.085 33.719 19.072 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 7 . 1052 . 1 1 10 PRO N N 32.324 34.338 16.618 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 7 . 1053 . 1 1 10 PRO O O 32.592 37.044 15.799 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 7 . 1054 . 1 1 11 . C C 30.551 37.762 13.081 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 7 . 1055 . 1 1 11 . CA C 30.320 38.134 14.537 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 7 . 1056 . 1 1 11 . CB C 28.990 38.873 14.660 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 7 . 1057 . 1 1 11 . H H 29.445 36.682 15.748 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 7 . 1058 . 1 1 11 . HA H 31.078 38.865 14.823 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 7 . 1059 . 1 1 11 . HB2 H 28.257 38.275 14.117 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 7 . 1060 . 1 1 11 . HB3 H 29.087 39.772 14.059 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 7 . 1061 . 1 1 11 . HG H 28.071 39.969 15.815 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 7 . 1062 . 1 1 11 . N N 30.354 37.053 15.500 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 7 . 1063 . 1 1 11 . O O 30.581 38.665 12.254 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 7 . 1064 . 1 1 11 . OG O 28.564 39.170 15.972 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 8 . 1065 . 1 1 1 DAL C C 33.022 36.657 11.487 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 8 . 1066 . 1 1 1 DAL CA C 31.503 36.640 11.550 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 8 . 1067 . 1 1 1 DAL CB C 30.855 35.328 11.114 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 8 . 1068 . 1 1 1 DAL H1 H 31.072 36.290 13.548 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 8 . 1069 . 1 1 1 DAL HA H 31.247 37.388 10.809 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 8 . 1070 . 1 1 1 DAL HB1 H 31.154 35.063 10.097 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 8 . 1071 . 1 1 1 DAL HB2 H 29.775 35.480 11.143 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1072 . 1 1 1 DAL HB3 H 31.109 34.492 11.768 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1073 . 1 1 1 DAL N N 30.946 37.002 12.843 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 8 . 1074 . 1 1 1 DAL O O 33.648 36.514 10.446 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 8 . 1075 . 1 1 2 GLN C C 35.938 35.888 12.404 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 8 . 1076 . 1 1 2 GLN CA C 35.111 37.106 12.783 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 8 . 1077 . 1 1 2 GLN CB C 35.454 37.477 14.218 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 8 . 1078 . 1 1 2 GLN CD C 35.103 39.207 16.006 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 8 . 1079 . 1 1 2 GLN CG C 35.066 38.917 14.512 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 8 . 1080 . 1 1 2 GLN H H 33.081 37.065 13.428 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 8 . 1081 . 1 1 2 GLN HA H 35.336 37.959 12.151 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 8 . 1082 . 1 1 2 GLN HB2 H 34.935 36.775 14.883 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1083 . 1 1 2 GLN HB3 H 36.532 37.450 14.357 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1084 . 1 1 2 GLN HE21 H 33.523 38.083 16.367 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 8 . 1085 . 1 1 2 GLN HE22 H 34.010 39.190 17.668 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 8 . 1086 . 1 1 2 GLN HG2 H 35.637 39.702 14.018 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 8 . 1087 . 1 1 2 GLN HG3 H 34.023 39.152 14.284 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 8 . 1088 . 1 1 2 GLN N N 33.680 36.908 12.626 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 8 . 1089 . 1 1 2 GLN NE2 N 34.218 38.652 16.836 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 8 . 1090 . 1 1 2 GLN O O 35.784 34.833 13.034 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 8 . 1091 . 1 1 2 GLN OE1 O 36.062 39.810 16.495 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 8 . 1092 . 1 1 3 DPR C C 37.526 33.754 10.803 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 8 . 1093 . 1 1 3 DPR CA C 38.052 35.078 11.335 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 8 . 1094 . 1 1 3 DPR CB C 39.071 35.671 10.365 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 8 . 1095 . 1 1 3 DPR CD C 37.101 37.004 10.523 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 8 . 1096 . 1 1 3 DPR CG C 38.167 36.564 9.529 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 8 . 1097 . 1 1 3 DPR HA H 38.505 34.738 12.274 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 8 . 1098 . 1 1 3 DPR HB2 H 39.546 34.870 9.782 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1099 . 1 1 3 DPR HB3 H 39.862 36.183 10.903 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1100 . 1 1 3 DPR HD2 H 36.208 37.085 9.911 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 8 . 1101 . 1 1 3 DPR HD3 H 37.371 38.004 10.848 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 8 . 1102 . 1 1 3 DPR HG2 H 37.651 35.946 8.781 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 8 . 1103 . 1 1 3 DPR HG3 H 38.629 37.449 9.090 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 8 . 1104 . 1 1 3 DPR N N 36.983 36.017 11.585 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 8 . 1105 . 1 1 3 DPR O O 36.579 33.797 10.027 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 8 . 1106 . 1 1 4 . C C 38.424 30.208 11.285 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 8 . 1107 . 1 1 4 . CA C 37.394 31.338 11.306 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 8 . 1108 . 1 1 4 . CB C 36.418 31.218 12.478 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 8 . 1109 . 1 1 4 . H H 38.804 32.687 11.971 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 8 . 1110 . 1 1 4 . HA H 36.865 31.235 10.363 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 8 . 1111 . 1 1 4 . HB2 H 35.861 32.142 12.653 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1112 . 1 1 4 . HB3 H 36.986 30.928 13.355 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1113 . 1 1 4 . N N 38.042 32.631 11.309 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 8 . 1114 . 1 1 4 . O O 39.548 30.395 11.742 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 8 . 1115 . 1 1 4 . SG S 34.987 30.167 12.136 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 8 . 1116 . 1 1 5 . C C 38.648 27.601 12.724 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 8 . 1117 . 1 1 5 . CA C 38.651 27.799 11.215 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 8 . 1118 . 1 1 5 . CB C 38.136 26.608 10.421 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 8 . 1119 . 1 1 5 . CD C 37.911 24.200 9.955 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 8 . 1120 . 1 1 5 . CE C 38.007 22.778 10.499 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 8 . 1121 . 1 1 5 . CG C 38.580 25.224 10.874 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 8 . 1122 . 1 1 5 . H H 37.056 28.945 10.428 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 8 . 1123 . 1 1 5 . HA H 39.700 27.926 10.941 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 8 . 1124 . 1 1 5 . HB2 H 38.374 26.746 9.369 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1125 . 1 1 5 . HB3 H 37.050 26.588 10.517 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1126 . 1 1 5 . HD2 H 38.344 24.332 8.967 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 8 . 1127 . 1 1 5 . HD3 H 36.862 24.483 9.827 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 8 . 1128 . 1 1 5 . HE2 H 37.589 22.809 11.498 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 8 . 1129 . 1 1 5 . HE3 H 39.062 22.539 10.605 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 8 . 1130 . 1 1 5 . HG2 H 38.313 25.115 11.930 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 8 . 1131 . 1 1 5 . HG3 H 39.672 25.185 10.886 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 8 . 1132 . 1 1 5 . HZ1 H 36.299 22.107 9.448 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 8 . 1133 . 1 1 5 . HZ2 H 37.234 20.885 9.973 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 8 . 1134 . 1 1 5 . HZ3 H 37.739 21.795 8.764 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 8 . 1135 . 1 1 5 . N N 37.958 29.030 10.866 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 8 . 1136 . 1 1 5 . NZ N 37.256 21.835 9.649 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 8 . 1137 . 1 1 5 . O O 37.578 27.525 13.321 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 8 . 1138 . 1 1 6 ASP C C 40.090 28.588 15.620 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 8 . 1139 . 1 1 6 ASP CA C 40.137 27.352 14.738 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 8 . 1140 . 1 1 6 ASP CB C 41.443 26.583 14.933 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 8 . 1141 . 1 1 6 ASP CG C 42.631 27.256 14.273 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 8 . 1142 . 1 1 6 ASP H H 40.580 27.831 12.728 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 8 . 1143 . 1 1 6 ASP HA H 39.355 26.723 15.153 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 8 . 1144 . 1 1 6 ASP HB2 H 41.568 26.427 16.001 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1145 . 1 1 6 ASP HB3 H 41.292 25.580 14.532 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1146 . 1 1 6 ASP N N 39.831 27.527 13.331 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 8 . 1147 . 1 1 6 ASP O O 40.226 28.508 16.842 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 8 . 1148 . 1 1 6 ASP OD1 O 42.917 28.457 14.497 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 8 . 1149 . 1 1 6 ASP OD2 O 43.310 26.532 13.521 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 8 . 1150 . 1 1 7 SER C C 38.974 32.031 15.040 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 8 . 1151 . 1 1 7 SER CA C 40.028 31.025 15.507 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 8 . 1152 . 1 1 7 SER CB C 41.425 31.571 15.266 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 8 . 1153 . 1 1 7 SER H H 39.908 29.593 13.924 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 8 . 1154 . 1 1 7 SER HA H 39.934 30.831 16.576 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 8 . 1155 . 1 1 7 SER HB2 H 41.609 31.674 14.193 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1156 . 1 1 7 SER HB3 H 41.515 32.572 15.683 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1157 . 1 1 7 SER HG H 42.586 30.093 15.182 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 8 . 1158 . 1 1 7 SER N N 39.852 29.707 14.925 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 8 . 1159 . 1 1 7 SER O O 39.098 32.648 13.988 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 8 . 1160 . 1 1 7 SER OG O 42.445 30.777 15.833 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 8 . 1161 . 1 1 8 . C C 35.511 32.731 15.864 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 8 . 1162 . 1 1 8 . CA C 36.923 33.257 15.603 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 8 . 1163 . 1 1 8 . CB C 37.350 34.392 16.524 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 8 . 1164 . 1 1 8 . CD1 C 39.002 35.820 15.230 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 8 . 1165 . 1 1 8 . CD2 C 39.736 34.543 17.172 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 8 . 1166 . 1 1 8 . CE1 C 40.339 36.183 14.988 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 8 . 1167 . 1 1 8 . CE2 C 41.051 34.941 16.912 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 8 . 1168 . 1 1 8 . CG C 38.719 35.010 16.330 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 8 . 1169 . 1 1 8 . CZ C 41.375 35.839 15.876 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 8 . 1170 . 1 1 8 . H H 37.906 31.722 16.700 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 8 . 1171 . 1 1 8 . HA H 36.978 33.744 14.630 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 8 . 1172 . 1 1 8 . HB2 H 37.245 34.124 17.567 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1173 . 1 1 8 . HB3 H 36.682 35.233 16.329 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1174 . 1 1 8 . HD1 H 38.299 36.097 14.460 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 8 . 1175 . 1 1 8 . HD2 H 39.463 33.860 17.967 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 8 . 1176 . 1 1 8 . HE1 H 40.591 36.774 14.121 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 8 . 1177 . 1 1 8 . HE2 H 41.879 34.491 17.429 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 8 . 1178 . 1 1 8 . HH H 43.181 35.956 16.344 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 8 . 1179 . 1 1 8 . N N 37.895 32.206 15.809 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 8 . 1180 . 1 1 8 . O O 35.256 31.952 16.787 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 8 . 1181 . 1 1 8 . OH O 42.626 36.318 15.642 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 8 . 1182 . 1 1 9 . C C 32.286 33.954 15.152 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 8 . 1183 . 1 1 9 . CA C 33.181 32.736 14.955 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 8 . 1184 . 1 1 9 . CB C 33.026 32.013 13.629 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 8 . 1185 . 1 1 9 . H H 34.857 33.768 14.282 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 8 . 1186 . 1 1 9 . HA H 32.998 32.082 15.808 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 8 . 1187 . 1 1 9 . HB2 H 33.561 32.604 12.879 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1188 . 1 1 9 . HB3 H 31.946 31.955 13.530 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1189 . 1 1 9 . N N 34.584 33.095 14.983 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 8 . 1190 . 1 1 9 . O O 31.635 34.436 14.236 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 8 . 1191 . 1 1 9 . SG S 33.766 30.357 13.759 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 8 . 1192 . 1 1 10 PRO C C 31.284 36.752 15.875 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 8 . 1193 . 1 1 10 PRO CA C 31.215 35.528 16.777 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 8 . 1194 . 1 1 10 PRO CB C 31.670 35.964 18.161 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 8 . 1195 . 1 1 10 PRO CD C 32.920 34.065 17.505 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 8 . 1196 . 1 1 10 PRO CG C 32.235 34.662 18.727 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 8 . 1197 . 1 1 10 PRO HA H 30.178 35.186 16.803 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 8 . 1198 . 1 1 10 PRO HB2 H 32.438 36.744 18.126 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1199 . 1 1 10 PRO HB3 H 30.834 36.271 18.787 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1200 . 1 1 10 PRO HD2 H 33.942 34.440 17.418 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 8 . 1201 . 1 1 10 PRO HD3 H 32.985 32.986 17.658 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 8 . 1202 . 1 1 10 PRO HG2 H 32.978 34.941 19.479 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 8 . 1203 . 1 1 10 PRO HG3 H 31.508 34.004 19.194 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 8 . 1204 . 1 1 10 PRO N N 32.180 34.534 16.352 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 8 . 1205 . 1 1 10 PRO O O 32.330 37.137 15.356 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 8 . 1206 . 1 1 11 . C C 30.338 38.140 13.175 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 8 . 1207 . 1 1 11 . CA C 29.977 38.420 14.629 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 8 . 1208 . 1 1 11 . CB C 28.543 38.935 14.620 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 8 . 1209 . 1 1 11 . H H 29.246 37.093 16.036 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 8 . 1210 . 1 1 11 . HA H 30.582 39.212 15.070 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 8 . 1211 . 1 1 11 . HB2 H 28.397 39.798 13.979 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 8 . 1212 . 1 1 11 . HB3 H 28.298 39.167 15.661 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 8 . 1213 . 1 1 11 . HG H 26.801 38.110 14.243 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 8 . 1214 . 1 1 11 . N N 30.125 37.364 15.612 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 8 . 1215 . 1 1 11 . O O 30.229 39.044 12.363 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 8 . 1216 . 1 1 11 . OG O 27.732 37.881 14.153 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 9 . 1217 . 1 1 1 DAL C C 33.236 36.605 11.512 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 9 . 1218 . 1 1 1 DAL CA C 31.707 36.563 11.538 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 9 . 1219 . 1 1 1 DAL CB C 31.225 35.161 11.180 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 9 . 1220 . 1 1 1 DAL H1 H 31.342 36.354 13.586 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 9 . 1221 . 1 1 1 DAL HA H 31.403 37.292 10.777 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 9 . 1222 . 1 1 1 DAL HB1 H 31.488 34.940 10.139 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 9 . 1223 . 1 1 1 DAL HB2 H 30.162 35.101 11.385 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1224 . 1 1 1 DAL HB3 H 31.563 34.372 11.855 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1225 . 1 1 1 DAL N N 31.142 36.966 12.806 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 9 . 1226 . 1 1 1 DAL O O 33.863 36.260 10.512 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 9 . 1227 . 1 1 2 GLN C C 36.165 36.251 12.496 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 9 . 1228 . 1 1 2 GLN CA C 35.260 37.479 12.506 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 9 . 1229 . 1 1 2 GLN CB C 35.584 38.519 13.571 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 9 . 1230 . 1 1 2 GLN CD C 34.946 40.659 14.630 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 9 . 1231 . 1 1 2 GLN CG C 34.608 39.682 13.507 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 9 . 1232 . 1 1 2 GLN H H 33.329 37.476 13.326 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 9 . 1233 . 1 1 2 GLN HA H 35.354 37.953 11.530 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 9 . 1234 . 1 1 2 GLN HB2 H 35.405 38.038 14.538 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1235 . 1 1 2 GLN HB3 H 36.606 38.889 13.440 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1236 . 1 1 2 GLN HE21 H 34.072 39.642 16.076 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 9 . 1237 . 1 1 2 GLN HE22 H 34.863 41.155 16.596 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 9 . 1238 . 1 1 2 GLN HG2 H 34.671 40.284 12.601 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 9 . 1239 . 1 1 2 GLN HG3 H 33.541 39.514 13.662 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 9 . 1240 . 1 1 2 GLN N N 33.870 37.049 12.591 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 9 . 1241 . 1 1 2 GLN NE2 N 34.702 40.420 15.924 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 9 . 1242 . 1 1 2 GLN O O 35.942 35.318 13.269 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 9 . 1243 . 1 1 2 GLN OE1 O 35.492 41.737 14.421 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 9 . 1244 . 1 1 3 DPR C C 37.344 33.745 11.009 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 9 . 1245 . 1 1 3 DPR CA C 38.004 35.023 11.496 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 9 . 1246 . 1 1 3 DPR CB C 39.169 35.487 10.624 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 9 . 1247 . 1 1 3 DPR CD C 37.639 37.222 10.719 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 9 . 1248 . 1 1 3 DPR CG C 38.533 36.528 9.702 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 9 . 1249 . 1 1 3 DPR HA H 38.390 34.731 12.473 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 9 . 1250 . 1 1 3 DPR HB2 H 39.582 34.685 10.018 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1251 . 1 1 3 DPR HB3 H 39.945 35.960 11.236 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1252 . 1 1 3 DPR HD2 H 36.796 37.700 10.219 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 9 . 1253 . 1 1 3 DPR HD3 H 38.215 37.942 11.307 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 9 . 1254 . 1 1 3 DPR HG2 H 37.945 36.064 8.909 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 9 . 1255 . 1 1 3 DPR HG3 H 39.251 37.261 9.324 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 9 . 1256 . 1 1 3 DPR N N 37.145 36.186 11.605 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 9 . 1257 . 1 1 3 DPR O O 36.464 33.750 10.160 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 9 . 1258 . 1 1 4 . C C 38.044 30.168 11.598 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 9 . 1259 . 1 1 4 . CA C 37.056 31.324 11.564 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 9 . 1260 . 1 1 4 . CB C 36.201 31.325 12.829 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 9 . 1261 . 1 1 4 . H H 38.580 32.596 12.129 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 9 . 1262 . 1 1 4 . HA H 36.387 31.230 10.710 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 9 . 1263 . 1 1 4 . HB2 H 35.953 32.326 13.178 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1264 . 1 1 4 . HB3 H 36.711 30.742 13.603 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1265 . 1 1 4 . N N 37.771 32.586 11.522 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 9 . 1266 . 1 1 4 . O O 39.236 30.256 11.925 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 9 . 1267 . 1 1 4 . SG S 34.649 30.489 12.435 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 9 . 1268 . 1 1 5 . C C 38.654 27.387 12.598 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 9 . 1269 . 1 1 5 . CA C 38.287 27.763 11.173 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 9 . 1270 . 1 1 5 . CB C 37.474 26.697 10.451 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 9 . 1271 . 1 1 5 . CD C 37.423 24.509 9.205 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 9 . 1272 . 1 1 5 . CE C 38.100 23.165 8.959 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 9 . 1273 . 1 1 5 . CG C 38.209 25.401 10.159 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 9 . 1274 . 1 1 5 . H H 36.528 28.933 11.077 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 9 . 1275 . 1 1 5 . HA H 39.211 27.886 10.595 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 9 . 1276 . 1 1 5 . HB2 H 37.267 27.057 9.442 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1277 . 1 1 5 . HB3 H 36.598 26.512 11.078 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1278 . 1 1 5 . HD2 H 37.330 25.124 8.320 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 9 . 1279 . 1 1 5 . HD3 H 36.505 24.172 9.697 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 9 . 1280 . 1 1 5 . HE2 H 37.830 22.417 9.702 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 9 . 1281 . 1 1 5 . HE3 H 39.179 23.347 8.908 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 9 . 1282 . 1 1 5 . HG2 H 38.379 24.846 11.083 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 9 . 1283 . 1 1 5 . HG3 H 39.196 25.567 9.715 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 9 . 1284 . 1 1 5 . HZ1 H 38.240 21.654 7.619 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 9 . 1285 . 1 1 5 . HZ2 H 38.061 23.237 6.908 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 9 . 1286 . 1 1 5 . HZ3 H 36.817 22.541 7.672 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 9 . 1287 . 1 1 5 . N N 37.527 28.996 11.232 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 9 . 1288 . 1 1 5 . NZ N 37.828 22.580 7.637 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 9 . 1289 . 1 1 5 . O O 37.768 27.063 13.402 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 9 . 1290 . 1 1 6 ASP C C 40.170 28.427 15.253 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 9 . 1291 . 1 1 6 ASP CA C 40.471 27.315 14.259 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 9 . 1292 . 1 1 6 ASP CB C 41.966 27.026 14.186 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 9 . 1293 . 1 1 6 ASP CG C 42.762 28.003 13.321 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 9 . 1294 . 1 1 6 ASP H H 40.508 27.947 12.207 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 9 . 1295 . 1 1 6 ASP HA H 40.028 26.401 14.669 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 9 . 1296 . 1 1 6 ASP HB2 H 42.385 27.042 15.184 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1297 . 1 1 6 ASP HB3 H 42.194 26.045 13.763 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1298 . 1 1 6 ASP N N 39.927 27.574 12.951 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 9 . 1299 . 1 1 6 ASP O O 39.981 28.073 16.418 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 9 . 1300 . 1 1 6 ASP OD1 O 42.940 29.148 13.800 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 9 . 1301 . 1 1 6 ASP OD2 O 43.410 27.572 12.345 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 9 . 1302 . 1 1 7 SER C C 39.298 31.896 15.152 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 9 . 1303 . 1 1 7 SER CA C 40.182 30.833 15.786 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 9 . 1304 . 1 1 7 SER CB C 41.647 31.234 15.986 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 9 . 1305 . 1 1 7 SER H H 40.403 29.853 13.913 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 9 . 1306 . 1 1 7 SER HA H 39.801 30.532 16.760 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 9 . 1307 . 1 1 7 SER HB2 H 42.062 31.559 15.028 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1308 . 1 1 7 SER HB3 H 41.667 31.904 16.845 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1309 . 1 1 7 SER HG H 42.644 29.714 15.475 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 9 . 1310 . 1 1 7 SER N N 40.134 29.710 14.882 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 9 . 1311 . 1 1 7 SER O O 39.512 32.392 14.053 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 9 . 1312 . 1 1 7 SER OG O 42.465 30.137 16.320 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 9 . 1313 . 1 1 8 . C C 35.852 32.800 15.913 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 9 . 1314 . 1 1 8 . CA C 37.262 33.284 15.612 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 9 . 1315 . 1 1 8 . CB C 37.553 34.439 16.570 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 9 . 1316 . 1 1 8 . CD1 C 38.858 36.259 15.494 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 9 . 1317 . 1 1 8 . CD2 C 40.062 34.714 16.927 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 9 . 1318 . 1 1 8 . CE1 C 40.031 36.979 15.259 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 9 . 1319 . 1 1 8 . CE2 C 41.253 35.356 16.551 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 9 . 1320 . 1 1 8 . CG C 38.869 35.137 16.330 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 9 . 1321 . 1 1 8 . CZ C 41.264 36.528 15.771 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 9 . 1322 . 1 1 8 . H H 38.239 31.908 16.826 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 9 . 1323 . 1 1 8 . HA H 37.305 33.583 14.562 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 9 . 1324 . 1 1 8 . HB2 H 37.575 34.091 17.602 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1325 . 1 1 8 . HB3 H 36.716 35.125 16.506 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1326 . 1 1 8 . HD1 H 37.920 36.656 15.117 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 9 . 1327 . 1 1 8 . HD2 H 40.120 33.866 17.595 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 9 . 1328 . 1 1 8 . HE1 H 39.932 37.837 14.605 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 9 . 1329 . 1 1 8 . HE2 H 42.216 35.008 16.906 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 9 . 1330 . 1 1 8 . HH H 43.162 36.847 15.910 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 9 . 1331 . 1 1 8 . N N 38.229 32.237 15.875 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 9 . 1332 . 1 1 8 . O O 35.630 31.983 16.799 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 9 . 1333 . 1 1 8 . OH O 42.407 37.181 15.432 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 9 . 1334 . 1 1 9 . C C 32.672 34.439 15.604 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 9 . 1335 . 1 1 9 . CA C 33.427 33.118 15.494 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 9 . 1336 . 1 1 9 . CB C 32.914 32.230 14.368 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 9 . 1337 . 1 1 9 . H H 35.082 34.168 14.696 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 9 . 1338 . 1 1 9 . HA H 33.233 32.613 16.436 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 9 . 1339 . 1 1 9 . HB2 H 33.035 32.727 13.402 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1340 . 1 1 9 . HB3 H 31.823 32.181 14.359 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1341 . 1 1 9 . N N 34.833 33.391 15.285 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 9 . 1342 . 1 1 9 . O O 31.952 34.819 14.683 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 9 . 1343 . 1 1 9 . SG S 33.719 30.618 14.244 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 9 . 1344 . 1 1 10 PRO C C 31.747 37.357 15.873 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 9 . 1345 . 1 1 10 PRO CA C 31.995 36.346 16.982 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 9 . 1346 . 1 1 10 PRO CB C 32.572 37.067 18.192 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 9 . 1347 . 1 1 10 PRO CD C 33.589 34.887 17.883 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 9 . 1348 . 1 1 10 PRO CG C 33.074 35.844 18.952 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 9 . 1349 . 1 1 10 PRO HA H 30.958 36.089 17.213 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 9 . 1350 . 1 1 10 PRO HB2 H 33.407 37.699 17.914 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1351 . 1 1 10 PRO HB3 H 31.817 37.600 18.766 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1352 . 1 1 10 PRO HD2 H 34.659 35.028 17.746 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 9 . 1353 . 1 1 10 PRO HD3 H 33.243 33.895 18.185 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 9 . 1354 . 1 1 10 PRO HG2 H 33.885 36.200 19.578 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 9 . 1355 . 1 1 10 PRO HG3 H 32.337 35.356 19.591 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 9 . 1356 . 1 1 10 PRO N N 32.822 35.198 16.695 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 9 . 1357 . 1 1 10 PRO O O 32.661 38.078 15.458 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 9 . 1358 . 1 1 11 . C C 30.406 38.060 13.018 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 9 . 1359 . 1 1 11 . CA C 29.953 38.389 14.433 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 9 . 1360 . 1 1 11 . CB C 28.440 38.530 14.541 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 9 . 1361 . 1 1 11 . H H 29.843 36.792 15.789 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 9 . 1362 . 1 1 11 . HA H 30.366 39.375 14.664 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 9 . 1363 . 1 1 11 . HB2 H 27.929 37.566 14.596 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 9 . 1364 . 1 1 11 . HB3 H 28.019 39.252 13.850 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 9 . 1365 . 1 1 11 . HG H 28.513 39.998 15.604 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 9 . 1366 . 1 1 11 . N N 30.508 37.449 15.395 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 9 . 1367 . 1 1 11 . O O 30.091 38.763 12.060 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 9 . 1368 . 1 1 11 . OG O 28.145 39.140 15.781 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 10 . 1369 . 1 1 1 DAL C C 33.153 36.492 11.476 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 10 . 1370 . 1 1 1 DAL CA C 31.662 36.183 11.523 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 10 . 1371 . 1 1 1 DAL CB C 31.353 34.691 11.568 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 10 . 1372 . 1 1 1 DAL H1 H 30.823 35.983 13.433 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 10 . 1373 . 1 1 1 DAL HA H 31.152 36.586 10.647 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 10 . 1374 . 1 1 1 DAL HB1 H 30.295 34.605 11.782 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 10 . 1375 . 1 1 1 DAL HB2 H 31.971 34.265 12.357 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1376 . 1 1 1 DAL HB3 H 31.675 34.215 10.642 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1377 . 1 1 1 DAL N N 30.959 36.652 12.688 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 10 . 1378 . 1 1 1 DAL O O 33.754 36.427 10.412 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 10 . 1379 . 1 1 2 GLN C C 36.131 36.250 12.573 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 10 . 1380 . 1 1 2 GLN CA C 35.135 37.398 12.588 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 10 . 1381 . 1 1 2 GLN CB C 35.364 38.359 13.756 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 10 . 1382 . 1 1 2 GLN CD C 34.677 40.450 12.355 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 10 . 1383 . 1 1 2 GLN CG C 34.572 39.650 13.644 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 10 . 1384 . 1 1 2 GLN H H 33.255 36.810 13.442 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 10 . 1385 . 1 1 2 GLN HA H 35.262 38.029 11.713 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 10 . 1386 . 1 1 2 GLN HB2 H 35.062 37.904 14.704 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1387 . 1 1 2 GLN HB3 H 36.411 38.640 13.846 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1388 . 1 1 2 GLN HE21 H 35.984 41.835 12.997 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 10 . 1389 . 1 1 2 GLN HE22 H 35.236 42.175 11.422 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 10 . 1390 . 1 1 2 GLN HG2 H 33.522 39.564 13.933 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 10 . 1391 . 1 1 2 GLN HG3 H 34.960 40.352 14.385 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 10 . 1392 . 1 1 2 GLN N N 33.778 36.868 12.586 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 10 . 1393 . 1 1 2 GLN NE2 N 35.399 41.566 12.215 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 10 . 1394 . 1 1 2 GLN O O 35.921 35.248 13.253 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 10 . 1395 . 1 1 2 GLN OE1 O 34.092 40.140 11.326 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 10 . 1396 . 1 1 3 DPR C C 37.488 33.963 10.862 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 10 . 1397 . 1 1 3 DPR CA C 38.136 35.197 11.486 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 10 . 1398 . 1 1 3 DPR CB C 39.216 35.708 10.550 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 10 . 1399 . 1 1 3 DPR CD C 37.825 37.518 11.348 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 10 . 1400 . 1 1 3 DPR CG C 39.229 37.208 10.830 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 10 . 1401 . 1 1 3 DPR HA H 38.625 34.881 12.409 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 10 . 1402 . 1 1 3 DPR HB2 H 38.870 35.651 9.521 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1403 . 1 1 3 DPR HB3 H 40.222 35.280 10.607 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1404 . 1 1 3 DPR HD2 H 37.212 37.971 10.574 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 10 . 1405 . 1 1 3 DPR HD3 H 37.950 38.185 12.193 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 10 . 1406 . 1 1 3 DPR HG2 H 39.373 37.878 9.982 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 10 . 1407 . 1 1 3 DPR HG3 H 39.874 37.398 11.694 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 10 . 1408 . 1 1 3 DPR N N 37.224 36.278 11.802 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 10 . 1409 . 1 1 3 DPR O O 36.609 33.919 10.008 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 10 . 1410 . 1 1 4 . C C 38.245 30.425 11.487 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 10 . 1411 . 1 1 4 . CA C 37.246 31.565 11.370 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 10 . 1412 . 1 1 4 . CB C 36.184 31.521 12.475 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 10 . 1413 . 1 1 4 . H H 38.659 32.939 12.114 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 10 . 1414 . 1 1 4 . HA H 36.731 31.514 10.405 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 10 . 1415 . 1 1 4 . HB2 H 35.866 32.544 12.671 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1416 . 1 1 4 . HB3 H 36.669 31.061 13.335 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1417 . 1 1 4 . N N 37.948 32.826 11.408 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 10 . 1418 . 1 1 4 . O O 39.329 30.592 12.043 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 10 . 1419 . 1 1 4 . SG S 34.679 30.576 12.129 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 10 . 1420 . 1 1 5 . C C 38.226 27.665 12.632 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 10 . 1421 . 1 1 5 . CA C 38.252 27.991 11.149 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 10 . 1422 . 1 1 5 . CB C 37.506 26.915 10.358 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 10 . 1423 . 1 1 5 . CD C 37.488 24.557 9.500 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 10 . 1424 . 1 1 5 . CE C 38.197 23.227 9.697 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 10 . 1425 . 1 1 5 . CG C 38.314 25.642 10.177 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 10 . 1426 . 1 1 5 . H H 36.824 29.522 10.538 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 10 . 1427 . 1 1 5 . HA H 39.277 27.959 10.781 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 10 . 1428 . 1 1 5 . HB2 H 37.407 27.362 9.367 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1429 . 1 1 5 . HB3 H 36.555 26.727 10.864 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1430 . 1 1 5 . HD2 H 37.210 24.650 8.448 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 10 . 1431 . 1 1 5 . HD3 H 36.518 24.544 9.997 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 10 . 1432 . 1 1 5 . HE2 H 38.365 23.182 10.776 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 10 . 1433 . 1 1 5 . HE3 H 39.216 23.241 9.307 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 10 . 1434 . 1 1 5 . HG2 H 38.481 25.249 11.173 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 10 . 1435 . 1 1 5 . HG3 H 39.234 25.824 9.619 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 10 . 1436 . 1 1 5 . HZ1 H 37.967 21.207 9.112 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 10 . 1437 . 1 1 5 . HZ2 H 37.300 22.195 8.139 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 10 . 1438 . 1 1 5 . HZ3 H 36.539 21.895 9.494 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 10 . 1439 . 1 1 5 . N N 37.722 29.317 10.933 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 10 . 1440 . 1 1 5 . NZ N 37.463 22.083 9.134 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 10 . 1441 . 1 1 5 . O O 37.220 27.586 13.331 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 10 . 1442 . 1 1 6 ASP C C 39.878 28.618 15.408 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 10 . 1443 . 1 1 6 ASP CA C 39.685 27.316 14.639 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 10 . 1444 . 1 1 6 ASP CB C 41.030 26.598 14.761 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 10 . 1445 . 1 1 6 ASP CG C 42.208 27.297 14.105 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 10 . 1446 . 1 1 6 ASP H H 40.211 27.691 12.663 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 10 . 1447 . 1 1 6 ASP HA H 38.902 26.724 15.109 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 10 . 1448 . 1 1 6 ASP HB2 H 41.314 26.406 15.798 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1449 . 1 1 6 ASP HB3 H 40.911 25.658 14.226 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1450 . 1 1 6 ASP N N 39.404 27.646 13.259 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 10 . 1451 . 1 1 6 ASP O O 39.813 28.571 16.637 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 10 . 1452 . 1 1 6 ASP OD1 O 42.454 26.918 12.944 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 10 . 1453 . 1 1 6 ASP OD2 O 42.867 28.217 14.652 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 10 . 1454 . 1 1 7 SER C C 39.370 31.978 14.948 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 10 . 1455 . 1 1 7 SER CA C 40.453 31.018 15.426 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 10 . 1456 . 1 1 7 SER CB C 41.799 31.505 14.892 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 10 . 1457 . 1 1 7 SER H H 40.325 29.749 13.773 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 10 . 1458 . 1 1 7 SER HA H 40.455 31.014 16.515 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 10 . 1459 . 1 1 7 SER HB2 H 41.840 31.246 13.833 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1460 . 1 1 7 SER HB3 H 41.866 32.574 15.052 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1461 . 1 1 7 SER HG H 42.897 29.930 15.300 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 10 . 1462 . 1 1 7 SER N N 40.165 29.748 14.772 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 10 . 1463 . 1 1 7 SER O O 39.389 32.620 13.904 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 10 . 1464 . 1 1 7 SER OG O 42.831 30.840 15.598 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 10 . 1465 . 1 1 8 . C C 35.912 32.775 16.047 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 10 . 1466 . 1 1 8 . CA C 37.350 33.171 15.733 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 10 . 1467 . 1 1 8 . CB C 37.837 34.314 16.621 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 10 . 1468 . 1 1 8 . CD1 C 40.222 34.780 16.072 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 10 . 1469 . 1 1 8 . CD2 C 38.566 36.390 15.350 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 10 . 1470 . 1 1 8 . CE1 C 41.255 35.495 15.442 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 10 . 1471 . 1 1 8 . CE2 C 39.535 37.111 14.638 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 10 . 1472 . 1 1 8 . CG C 38.893 35.223 16.047 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 10 . 1473 . 1 1 8 . CZ C 40.856 36.612 14.686 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 10 . 1474 . 1 1 8 . H H 38.283 31.505 16.545 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 10 . 1475 . 1 1 8 . HA H 37.345 33.512 14.694 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 10 . 1476 . 1 1 8 . HB2 H 38.304 33.809 17.471 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1477 . 1 1 8 . HB3 H 36.987 34.861 17.032 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1478 . 1 1 8 . HD1 H 40.455 33.942 16.724 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 10 . 1479 . 1 1 8 . HD2 H 37.541 36.717 15.232 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 10 . 1480 . 1 1 8 . HE1 H 42.281 35.193 15.360 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 10 . 1481 . 1 1 8 . HE2 H 39.367 37.986 14.041 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 10 . 1482 . 1 1 8 . HH H 41.432 38.218 13.775 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 10 . 1483 . 1 1 8 . N N 38.281 32.071 15.706 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 10 . 1484 . 1 1 8 . O O 35.705 31.904 16.889 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 10 . 1485 . 1 1 8 . OH O 41.788 37.379 14.061 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 10 . 1486 . 1 1 9 . C C 32.583 34.139 15.662 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 10 . 1487 . 1 1 9 . CA C 33.551 32.968 15.570 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 10 . 1488 . 1 1 9 . CB C 33.157 32.137 14.355 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 10 . 1489 . 1 1 9 . H H 35.129 34.087 14.695 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 10 . 1490 . 1 1 9 . HA H 33.420 32.302 16.432 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 10 . 1491 . 1 1 9 . HB2 H 33.271 32.763 13.466 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1492 . 1 1 9 . HB3 H 32.082 31.998 14.465 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1493 . 1 1 9 . N N 34.916 33.413 15.427 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 10 . 1494 . 1 1 9 . O O 31.705 34.253 14.813 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 10 . 1495 . 1 1 9 . SG S 34.015 30.580 14.055 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 10 . 1496 . 1 1 10 PRO C C 31.574 36.964 15.924 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 10 . 1497 . 1 1 10 PRO CA C 31.604 35.885 17.004 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 10 . 1498 . 1 1 10 PRO CB C 31.872 36.463 18.392 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 10 . 1499 . 1 1 10 PRO CD C 33.735 35.122 17.679 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 10 . 1500 . 1 1 10 PRO CG C 33.259 35.997 18.835 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 10 . 1501 . 1 1 10 PRO HA H 30.638 35.369 17.065 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 10 . 1502 . 1 1 10 PRO HB2 H 31.739 37.542 18.382 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1503 . 1 1 10 PRO HB3 H 31.256 36.027 19.171 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1504 . 1 1 10 PRO HD2 H 34.496 35.637 17.089 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 10 . 1505 . 1 1 10 PRO HD3 H 34.080 34.135 17.993 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 10 . 1506 . 1 1 10 PRO HG2 H 33.907 36.851 19.016 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 10 . 1507 . 1 1 10 PRO HG3 H 33.212 35.345 19.702 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 10 . 1508 . 1 1 10 PRO N N 32.649 34.925 16.740 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 10 . 1509 . 1 1 10 PRO O O 32.591 37.379 15.373 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 10 . 1510 . 1 1 11 . C C 30.727 37.924 13.019 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 10 . 1511 . 1 1 11 . CA C 30.140 38.283 14.376 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 10 . 1512 . 1 1 11 . CB C 28.645 38.579 14.282 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 10 . 1513 . 1 1 11 . H H 29.554 37.063 15.928 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 10 . 1514 . 1 1 11 . HA H 30.758 39.077 14.778 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 10 . 1515 . 1 1 11 . HB2 H 28.058 37.718 13.968 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 10 . 1516 . 1 1 11 . HB3 H 28.531 39.341 13.509 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 10 . 1517 . 1 1 11 . HG H 27.212 39.392 15.271 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 10 . 1518 . 1 1 11 . N N 30.391 37.285 15.401 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 10 . 1519 . 1 1 11 . O O 31.091 38.818 12.252 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 10 . 1520 . 1 1 11 . OG O 28.080 39.051 15.489 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 11 . 1521 . 1 1 1 DAL C C 33.012 36.899 11.245 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 11 . 1522 . 1 1 1 DAL CA C 31.547 36.548 11.472 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 11 . 1523 . 1 1 1 DAL CB C 31.328 35.095 11.038 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 11 . 1524 . 1 1 1 DAL H1 H 31.113 35.947 13.468 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 11 . 1525 . 1 1 1 DAL HA H 30.944 37.185 10.822 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 11 . 1526 . 1 1 1 DAL HB1 H 30.288 34.820 11.168 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 11 . 1527 . 1 1 1 DAL HB2 H 32.045 34.536 11.640 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1528 . 1 1 1 DAL HB3 H 31.549 35.008 9.974 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1529 . 1 1 1 DAL N N 31.120 36.741 12.838 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 11 . 1530 . 1 1 1 DAL O O 33.480 37.062 10.119 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 11 . 1531 . 1 1 2 GLN C C 36.111 36.265 12.180 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 11 . 1532 . 1 1 2 GLN CA C 35.200 37.466 12.333 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 11 . 1533 . 1 1 2 GLN CB C 35.531 38.268 13.593 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 11 . 1534 . 1 1 2 GLN CD C 35.225 40.224 15.169 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 11 . 1535 . 1 1 2 GLN CG C 34.770 39.559 13.885 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 11 . 1536 . 1 1 2 GLN H H 33.364 37.082 13.227 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 11 . 1537 . 1 1 2 GLN HA H 35.391 38.170 11.519 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 11 . 1538 . 1 1 2 GLN HB2 H 35.399 37.664 14.497 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1539 . 1 1 2 GLN HB3 H 36.580 38.556 13.541 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1540 . 1 1 2 GLN HE21 H 37.064 40.368 14.480 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 11 . 1541 . 1 1 2 GLN HE22 H 36.889 41.100 16.044 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 11 . 1542 . 1 1 2 GLN HG2 H 35.012 40.141 13.000 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 11 . 1543 . 1 1 2 GLN HG3 H 33.687 39.417 13.970 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 11 . 1544 . 1 1 2 GLN N N 33.791 37.118 12.308 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 11 . 1545 . 1 1 2 GLN NE2 N 36.464 40.728 15.209 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 11 . 1546 . 1 1 2 GLN O O 35.838 35.185 12.715 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 11 . 1547 . 1 1 2 GLN OE1 O 34.497 40.313 16.160 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 11 . 1548 . 1 1 3 DPR C C 37.743 34.026 10.930 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 11 . 1549 . 1 1 3 DPR CA C 38.236 35.351 11.502 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 11 . 1550 . 1 1 3 DPR CB C 39.476 35.924 10.819 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 11 . 1551 . 1 1 3 DPR CD C 37.794 37.539 10.781 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 11 . 1552 . 1 1 3 DPR CG C 38.915 37.005 9.896 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 11 . 1553 . 1 1 3 DPR HA H 38.465 35.120 12.546 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 11 . 1554 . 1 1 3 DPR HB2 H 39.965 35.164 10.222 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1555 . 1 1 3 DPR HB3 H 40.156 36.345 11.560 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1556 . 1 1 3 DPR HD2 H 37.102 38.141 10.186 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 11 . 1557 . 1 1 3 DPR HD3 H 38.244 38.247 11.475 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 11 . 1558 . 1 1 3 DPR HG2 H 38.671 36.503 8.964 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 11 . 1559 . 1 1 3 DPR HG3 H 39.773 37.648 9.668 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 11 . 1560 . 1 1 3 DPR N N 37.229 36.399 11.470 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 11 . 1561 . 1 1 3 DPR O O 37.040 34.113 9.931 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 11 . 1562 . 1 1 4 . C C 38.204 30.353 11.523 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 11 . 1563 . 1 1 4 . CA C 37.414 31.629 11.236 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 11 . 1564 . 1 1 4 . CB C 36.158 31.615 12.116 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 11 . 1565 . 1 1 4 . H H 38.823 32.854 12.165 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 11 . 1566 . 1 1 4 . HA H 37.006 31.537 10.224 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 11 . 1567 . 1 1 4 . HB2 H 35.679 32.587 12.215 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1568 . 1 1 4 . HB3 H 36.455 31.244 13.089 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1569 . 1 1 4 . N N 38.158 32.853 11.410 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 11 . 1570 . 1 1 4 . O O 39.337 30.436 11.978 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 11 . 1571 . 1 1 4 . SG S 34.804 30.548 11.565 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 11 . 1572 . 1 1 5 . C C 38.372 27.675 12.961 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 11 . 1573 . 1 1 5 . CA C 38.028 27.836 11.483 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 11 . 1574 . 1 1 5 . CB C 37.063 26.827 10.872 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 11 . 1575 . 1 1 5 . CD C 36.269 24.583 10.687 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 11 . 1576 . 1 1 5 . CE C 36.550 23.078 10.669 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 11 . 1577 . 1 1 5 . CG C 37.499 25.377 11.099 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 11 . 1578 . 1 1 5 . H H 36.807 29.240 10.603 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 11 . 1579 . 1 1 5 . HA H 38.951 27.599 10.956 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 11 . 1580 . 1 1 5 . HB2 H 37.028 26.944 9.785 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1581 . 1 1 5 . HB3 H 36.080 26.907 11.322 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1582 . 1 1 5 . HD2 H 36.040 24.956 9.686 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 11 . 1583 . 1 1 5 . HD3 H 35.484 24.791 11.417 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 11 . 1584 . 1 1 5 . HE2 H 36.860 22.887 11.694 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 11 . 1585 . 1 1 5 . HE3 H 37.424 22.902 10.044 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 11 . 1586 . 1 1 5 . HG2 H 37.723 25.076 12.123 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 11 . 1587 . 1 1 5 . HG3 H 38.378 25.195 10.493 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 11 . 1588 . 1 1 5 . HZ1 H 35.627 21.327 10.216 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 11 . 1589 . 1 1 5 . HZ2 H 35.275 22.497 9.191 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 11 . 1590 . 1 1 5 . HZ3 H 34.571 22.445 10.747 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 11 . 1591 . 1 1 5 . N N 37.629 29.203 11.177 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 11 . 1592 . 1 1 5 . NZ N 35.388 22.308 10.181 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 11 . 1593 . 1 1 5 . O O 37.393 27.768 13.695 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 11 . 1594 . 1 1 6 ASP C C 39.805 28.701 15.677 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 11 . 1595 . 1 1 6 ASP CA C 39.884 27.434 14.846 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 11 . 1596 . 1 1 6 ASP CB C 41.297 26.881 15.077 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 11 . 1597 . 1 1 6 ASP CG C 42.457 27.516 14.337 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 11 . 1598 . 1 1 6 ASP H H 40.341 27.477 12.737 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 11 . 1599 . 1 1 6 ASP HA H 39.176 26.727 15.274 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 11 . 1600 . 1 1 6 ASP HB2 H 41.518 26.864 16.146 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1601 . 1 1 6 ASP HB3 H 41.325 25.821 14.819 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1602 . 1 1 6 ASP N N 39.621 27.574 13.427 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 11 . 1603 . 1 1 6 ASP O O 39.677 28.613 16.901 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 11 . 1604 . 1 1 6 ASP OD1 O 42.476 28.753 14.142 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 11 . 1605 . 1 1 6 ASP OD2 O 43.541 26.941 14.107 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 11 . 1606 . 1 1 7 SER C C 39.170 32.151 15.049 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 11 . 1607 . 1 1 7 SER CA C 40.199 31.145 15.552 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 11 . 1608 . 1 1 7 SER CB C 41.637 31.634 15.483 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 11 . 1609 . 1 1 7 SER H H 39.908 29.822 13.980 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 11 . 1610 . 1 1 7 SER HA H 40.030 31.211 16.629 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 11 . 1611 . 1 1 7 SER HB2 H 41.862 31.906 14.452 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1612 . 1 1 7 SER HB3 H 41.800 32.529 16.083 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1613 . 1 1 7 SER HG H 42.246 29.882 15.314 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 11 . 1614 . 1 1 7 SER N N 39.893 29.847 14.994 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 11 . 1615 . 1 1 7 SER O O 39.326 32.824 14.031 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 11 . 1616 . 1 1 7 SER OG O 42.429 30.567 15.952 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 11 . 1617 . 1 1 8 . C C 35.561 32.627 15.685 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 11 . 1618 . 1 1 8 . CA C 36.933 33.244 15.478 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 11 . 1619 . 1 1 8 . CB C 37.240 34.483 16.308 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 11 . 1620 . 1 1 8 . CD1 C 38.441 36.346 15.031 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 11 . 1621 . 1 1 8 . CD2 C 39.715 34.865 16.380 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 11 . 1622 . 1 1 8 . CE1 C 39.574 37.048 14.632 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 11 . 1623 . 1 1 8 . CE2 C 40.916 35.467 15.976 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 11 . 1624 . 1 1 8 . CG C 38.478 35.180 15.805 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 11 . 1625 . 1 1 8 . CZ C 40.808 36.629 15.187 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 11 . 1626 . 1 1 8 . H H 37.951 31.858 16.610 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 11 . 1627 . 1 1 8 . HA H 37.008 33.603 14.448 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 11 . 1628 . 1 1 8 . HB2 H 37.272 34.170 17.357 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1629 . 1 1 8 . HB3 H 36.417 35.199 16.256 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1630 . 1 1 8 . HD1 H 37.435 36.505 14.650 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 11 . 1631 . 1 1 8 . HD2 H 39.791 34.011 17.046 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 11 . 1632 . 1 1 8 . HE1 H 39.558 37.892 13.958 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 11 . 1633 . 1 1 8 . HE2 H 41.799 35.121 16.471 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 11 . 1634 . 1 1 8 . HH H 42.760 37.083 15.082 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 11 . 1635 . 1 1 8 . N N 38.031 32.335 15.723 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 11 . 1636 . 1 1 8 . O O 35.384 31.822 16.593 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 11 . 1637 . 1 1 8 . OH O 41.891 37.343 14.761 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 11 . 1638 . 1 1 9 . C C 32.273 33.543 15.209 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 11 . 1639 . 1 1 9 . CA C 33.253 32.402 15.015 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 11 . 1640 . 1 1 9 . CB C 32.997 31.674 13.693 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 11 . 1641 . 1 1 9 . H H 34.665 33.671 14.136 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 11 . 1642 . 1 1 9 . HA H 33.167 31.647 15.796 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 11 . 1643 . 1 1 9 . HB2 H 33.093 32.336 12.826 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1644 . 1 1 9 . HB3 H 31.995 31.261 13.695 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1645 . 1 1 9 . N N 34.550 33.044 14.921 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 11 . 1646 . 1 1 9 . O O 31.706 33.993 14.212 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 11 . 1647 . 1 1 9 . SG S 33.977 30.185 13.402 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 11 . 1648 . 1 1 10 PRO C C 31.400 36.301 15.917 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 11 . 1649 . 1 1 10 PRO CA C 31.166 35.070 16.784 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 11 . 1650 . 1 1 10 PRO CB C 31.364 35.407 18.259 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 11 . 1651 . 1 1 10 PRO CD C 32.619 33.411 17.655 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 11 . 1652 . 1 1 10 PRO CG C 31.891 34.083 18.804 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 11 . 1653 . 1 1 10 PRO HA H 30.113 34.809 16.673 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 11 . 1654 . 1 1 10 PRO HB2 H 32.093 36.211 18.351 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1655 . 1 1 10 PRO HB3 H 30.452 35.626 18.799 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1656 . 1 1 10 PRO HD2 H 33.676 33.685 17.704 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 11 . 1657 . 1 1 10 PRO HD3 H 32.435 32.336 17.619 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 11 . 1658 . 1 1 10 PRO HG2 H 32.573 34.176 19.659 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 11 . 1659 . 1 1 10 PRO HG3 H 31.046 33.456 19.088 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 11 . 1660 . 1 1 10 PRO N N 32.113 34.027 16.445 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 11 . 1661 . 1 1 10 PRO O O 32.511 36.639 15.530 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 11 . 1662 . 1 1 11 . C C 30.674 37.928 13.243 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 11 . 1663 . 1 1 11 . CA C 30.310 38.155 14.700 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 11 . 1664 . 1 1 11 . CB C 28.957 38.851 14.811 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 11 . 1665 . 1 1 11 . H H 29.404 36.653 15.872 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 11 . 1666 . 1 1 11 . HA H 31.137 38.751 15.090 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 11 . 1667 . 1 1 11 . HB2 H 28.249 38.359 14.142 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 11 . 1668 . 1 1 11 . HB3 H 29.038 39.816 14.322 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 11 . 1669 . 1 1 11 . HG H 27.486 39.030 15.956 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 11 . 1670 . 1 1 11 . N N 30.303 36.960 15.530 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 11 . 1671 . 1 1 11 . O O 30.566 38.864 12.449 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 11 . 1672 . 1 1 11 . OG O 28.434 38.984 16.107 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 12 . 1673 . 1 1 1 DAL C C 32.747 37.047 11.204 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 12 . 1674 . 1 1 1 DAL CA C 31.257 36.859 11.421 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 12 . 1675 . 1 1 1 DAL CB C 30.739 35.427 11.265 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 12 . 1676 . 1 1 1 DAL H1 H 30.437 36.548 13.353 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 12 . 1677 . 1 1 1 DAL HA H 30.870 37.545 10.673 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 12 . 1678 . 1 1 1 DAL HB1 H 31.119 35.129 10.290 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 12 . 1679 . 1 1 1 DAL HB2 H 29.649 35.387 11.280 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1680 . 1 1 1 DAL HB3 H 31.046 34.804 12.102 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1681 . 1 1 1 DAL N N 30.780 37.266 12.725 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 12 . 1682 . 1 1 1 DAL O O 33.271 37.299 10.122 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 12 . 1683 . 1 1 2 GLN C C 35.709 35.969 12.360 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 12 . 1684 . 1 1 2 GLN CA C 34.898 37.251 12.297 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 12 . 1685 . 1 1 2 GLN CB C 35.320 38.158 13.463 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 12 . 1686 . 1 1 2 GLN CD C 35.433 40.430 14.489 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 12 . 1687 . 1 1 2 GLN CG C 35.206 39.651 13.210 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 12 . 1688 . 1 1 2 GLN H H 33.101 36.874 13.253 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 12 . 1689 . 1 1 2 GLN HA H 35.140 37.786 11.379 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 12 . 1690 . 1 1 2 GLN HB2 H 34.651 37.871 14.282 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1691 . 1 1 2 GLN HB3 H 36.362 37.985 13.716 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1692 . 1 1 2 GLN HE21 H 35.812 42.094 13.394 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 12 . 1693 . 1 1 2 GLN HE22 H 36.272 42.290 15.018 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 12 . 1694 . 1 1 2 GLN HG2 H 36.017 40.027 12.578 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 12 . 1695 . 1 1 2 GLN HG3 H 34.281 39.997 12.737 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 12 . 1696 . 1 1 2 GLN N N 33.476 36.982 12.322 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 12 . 1697 . 1 1 2 GLN NE2 N 35.855 41.690 14.313 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 12 . 1698 . 1 1 2 GLN O O 35.451 35.097 13.199 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 12 . 1699 . 1 1 2 GLN OE1 O 35.428 39.917 15.608 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 12 . 1700 . 1 1 3 DPR C C 37.020 33.350 11.207 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 12 . 1701 . 1 1 3 DPR CA C 37.659 34.678 11.553 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 12 . 1702 . 1 1 3 DPR CB C 38.839 35.045 10.658 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 12 . 1703 . 1 1 3 DPR CD C 37.355 36.840 10.711 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 12 . 1704 . 1 1 3 DPR CG C 38.842 36.567 10.559 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 12 . 1705 . 1 1 3 DPR HA H 38.036 34.641 12.581 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 12 . 1706 . 1 1 3 DPR HB2 H 38.675 34.612 9.665 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1707 . 1 1 3 DPR HB3 H 39.810 34.651 10.946 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1708 . 1 1 3 DPR HD2 H 36.796 36.828 9.775 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 12 . 1709 . 1 1 3 DPR HD3 H 37.240 37.872 11.047 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 12 . 1710 . 1 1 3 DPR HG2 H 39.164 36.930 9.588 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 12 . 1711 . 1 1 3 DPR HG3 H 39.448 37.138 11.270 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 12 . 1712 . 1 1 3 DPR N N 36.781 35.837 11.574 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 12 . 1713 . 1 1 3 DPR O O 36.225 33.309 10.266 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 12 . 1714 . 1 1 4 . C C 38.216 29.998 11.690 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 12 . 1715 . 1 1 4 . CA C 37.006 30.915 11.614 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 12 . 1716 . 1 1 4 . CB C 35.855 30.508 12.539 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 12 . 1717 . 1 1 4 . H H 38.165 32.332 12.575 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 12 . 1718 . 1 1 4 . HA H 36.777 30.767 10.567 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 12 . 1719 . 1 1 4 . HB2 H 35.956 30.976 13.520 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1720 . 1 1 4 . HB3 H 35.837 29.427 12.654 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1721 . 1 1 4 . N N 37.417 32.275 11.900 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 12 . 1722 . 1 1 4 . O O 39.138 30.289 12.448 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 12 . 1723 . 1 1 4 . SG S 34.304 31.114 11.824 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 12 . 1724 . 1 1 5 . C C 39.632 27.508 12.279 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 12 . 1725 . 1 1 5 . CA C 39.513 28.095 10.871 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 12 . 1726 . 1 1 5 . CB C 39.324 27.025 9.790 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 12 . 1727 . 1 1 5 . CD C 40.520 25.105 8.741 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 12 . 1728 . 1 1 5 . CE C 41.770 24.230 8.618 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 12 . 1729 . 1 1 5 . CG C 40.675 26.330 9.640 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 12 . 1730 . 1 1 5 . H H 37.534 28.609 10.378 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 12 . 1731 . 1 1 5 . HA H 40.210 28.862 10.554 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 12 . 1732 . 1 1 5 . HB2 H 39.039 27.490 8.853 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1733 . 1 1 5 . HB3 H 38.573 26.285 10.063 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1734 . 1 1 5 . HD2 H 40.239 25.380 7.723 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 12 . 1735 . 1 1 5 . HD3 H 39.723 24.424 9.033 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 12 . 1736 . 1 1 5 . HE2 H 41.636 23.445 7.880 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 12 . 1737 . 1 1 5 . HE3 H 41.980 23.801 9.601 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 12 . 1738 . 1 1 5 . HG2 H 41.109 25.997 10.592 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 12 . 1739 . 1 1 5 . HG3 H 41.378 27.021 9.192 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 12 . 1740 . 1 1 5 . HZ1 H 42.719 25.695 7.489 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 12 . 1741 . 1 1 5 . HZ2 H 43.759 24.528 8.060 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 12 . 1742 . 1 1 5 . HZ3 H 43.234 25.626 9.032 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 12 . 1743 . 1 1 5 . N N 38.321 28.906 10.930 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 12 . 1744 . 1 1 5 . NZ N 42.922 25.061 8.252 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 12 . 1745 . 1 1 5 . O O 38.741 26.765 12.684 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 12 . 1746 . 1 1 6 ASP C C 40.571 28.431 15.535 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 12 . 1747 . 1 1 6 ASP CA C 40.768 27.403 14.435 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 12 . 1748 . 1 1 6 ASP CB C 41.973 26.487 14.636 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 12 . 1749 . 1 1 6 ASP CG C 43.295 27.137 14.246 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 12 . 1750 . 1 1 6 ASP H H 41.457 28.371 12.735 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 12 . 1751 . 1 1 6 ASP HA H 39.882 26.798 14.605 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 12 . 1752 . 1 1 6 ASP HB2 H 42.019 26.030 15.629 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1753 . 1 1 6 ASP HB3 H 41.871 25.606 14.014 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1754 . 1 1 6 ASP N N 40.661 27.849 13.056 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 12 . 1755 . 1 1 6 ASP O O 40.851 28.171 16.705 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 12 . 1756 . 1 1 6 ASP OD1 O 44.310 26.410 14.264 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 12 . 1757 . 1 1 6 ASP OD2 O 43.362 28.319 13.855 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 12 . 1758 . 1 1 7 SER C C 38.788 31.722 15.331 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 12 . 1759 . 1 1 7 SER CA C 39.694 30.726 16.029 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 12 . 1760 . 1 1 7 SER CB C 40.921 31.429 16.625 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 12 . 1761 . 1 1 7 SER H H 39.647 29.586 14.252 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 12 . 1762 . 1 1 7 SER HA H 39.219 30.361 16.938 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 12 . 1763 . 1 1 7 SER HB2 H 41.672 31.645 15.868 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1764 . 1 1 7 SER HB3 H 40.657 32.354 17.114 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1765 . 1 1 7 SER HG H 41.462 29.689 17.226 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 12 . 1766 . 1 1 7 SER N N 40.043 29.606 15.179 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 12 . 1767 . 1 1 7 SER O O 39.207 32.284 14.322 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 12 . 1768 . 1 1 7 SER OG O 41.502 30.573 17.591 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 12 . 1769 . 1 1 8 . C C 35.260 32.511 15.588 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 12 . 1770 . 1 1 8 . CA C 36.679 33.016 15.413 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 12 . 1771 . 1 1 8 . CB C 36.943 34.378 16.044 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 12 . 1772 . 1 1 8 . CD1 C 38.420 36.029 14.907 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 12 . 1773 . 1 1 8 . CD2 C 39.348 34.698 16.740 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 12 . 1774 . 1 1 8 . CE1 C 39.631 36.721 14.723 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 12 . 1775 . 1 1 8 . CE2 C 40.530 35.448 16.665 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 12 . 1776 . 1 1 8 . CG C 38.293 35.047 15.892 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 12 . 1777 . 1 1 8 . CZ C 40.599 36.488 15.711 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 12 . 1778 . 1 1 8 . H H 37.324 31.440 16.668 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 12 . 1779 . 1 1 8 . HA H 36.889 33.184 14.354 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 12 . 1780 . 1 1 8 . HB2 H 36.676 34.417 17.102 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1781 . 1 1 8 . HB3 H 36.189 35.012 15.581 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1782 . 1 1 8 . HD1 H 37.605 36.296 14.247 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 12 . 1783 . 1 1 8 . HD2 H 39.230 33.903 17.453 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 12 . 1784 . 1 1 8 . HE1 H 39.626 37.608 14.110 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 12 . 1785 . 1 1 8 . HE2 H 41.295 35.314 17.429 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 12 . 1786 . 1 1 8 . HH H 42.303 37.173 16.458 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 12 . 1787 . 1 1 8 . N N 37.643 32.053 15.928 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 12 . 1788 . 1 1 8 . O O 34.947 31.576 16.329 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 12 . 1789 . 1 1 8 . OH O 41.693 37.308 15.734 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 12 . 1790 . 1 1 9 . C C 31.986 33.996 15.489 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 12 . 1791 . 1 1 9 . CA C 32.840 32.810 15.075 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 12 . 1792 . 1 1 9 . CB C 32.327 32.051 13.851 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 12 . 1793 . 1 1 9 . H H 34.468 33.843 14.286 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 12 . 1794 . 1 1 9 . HA H 32.742 32.059 15.854 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 12 . 1795 . 1 1 9 . HB2 H 32.372 32.750 13.015 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1796 . 1 1 9 . HB3 H 31.274 31.863 14.021 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1797 . 1 1 9 . N N 34.256 33.119 14.949 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 12 . 1798 . 1 1 9 . O O 31.141 34.444 14.713 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 12 . 1799 . 1 1 9 . SG S 32.930 30.479 13.192 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 12 . 1800 . 1 1 10 PRO C C 31.612 36.919 15.968 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 12 . 1801 . 1 1 10 PRO CA C 31.399 35.818 16.992 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 12 . 1802 . 1 1 10 PRO CB C 31.947 36.189 18.364 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 12 . 1803 . 1 1 10 PRO CD C 32.906 34.147 17.794 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 12 . 1804 . 1 1 10 PRO CG C 32.363 34.875 19.024 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 12 . 1805 . 1 1 10 PRO HA H 30.317 35.650 16.995 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 12 . 1806 . 1 1 10 PRO HB2 H 32.757 36.905 18.268 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1807 . 1 1 10 PRO HB3 H 31.089 36.583 18.930 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1808 . 1 1 10 PRO HD2 H 33.963 34.390 17.639 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 12 . 1809 . 1 1 10 PRO HD3 H 32.787 33.081 17.945 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 12 . 1810 . 1 1 10 PRO HG2 H 33.050 35.070 19.847 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 12 . 1811 . 1 1 10 PRO HG3 H 31.425 34.448 19.378 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 12 . 1812 . 1 1 10 PRO N N 32.115 34.594 16.670 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 12 . 1813 . 1 1 10 PRO O O 32.781 37.221 15.747 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 12 . 1814 . 1 1 11 . C C 30.818 38.504 13.231 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 12 . 1815 . 1 1 11 . CA C 30.456 38.709 14.700 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 12 . 1816 . 1 1 11 . CB C 29.101 39.361 14.919 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 12 . 1817 . 1 1 11 . H H 29.704 37.191 16.006 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 12 . 1818 . 1 1 11 . HA H 31.153 39.426 15.151 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 12 . 1819 . 1 1 11 . HB2 H 28.303 38.734 14.510 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 12 . 1820 . 1 1 11 . HB3 H 29.067 40.356 14.480 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 12 . 1821 . 1 1 11 . HG H 28.534 40.460 16.454 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 12 . 1822 . 1 1 11 . N N 30.508 37.480 15.467 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 12 . 1823 . 1 1 11 . O O 31.108 39.524 12.607 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 12 . 1824 . 1 1 11 . OG O 28.923 39.582 16.302 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 13 . 1825 . 1 1 1 DAL C C 32.597 37.075 11.449 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 13 . 1826 . 1 1 1 DAL CA C 31.133 37.405 11.715 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 13 . 1827 . 1 1 1 DAL CB C 30.133 36.341 11.264 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 13 . 1828 . 1 1 1 DAL H1 H 30.662 36.599 13.667 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 13 . 1829 . 1 1 1 DAL HA H 30.844 38.303 11.174 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 13 . 1830 . 1 1 1 DAL HB1 H 30.142 36.274 10.172 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 13 . 1831 . 1 1 1 DAL HB2 H 29.103 36.589 11.518 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1832 . 1 1 1 DAL HB3 H 30.424 35.467 11.858 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1833 . 1 1 1 DAL N N 30.861 37.436 13.139 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 13 . 1834 . 1 1 1 DAL O O 32.959 36.694 10.342 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 13 . 1835 . 1 1 2 GLN C C 35.641 36.135 12.006 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 13 . 1836 . 1 1 2 GLN CA C 34.944 37.480 12.115 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 13 . 1837 . 1 1 2 GLN CB C 35.500 38.355 13.239 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 13 . 1838 . 1 1 2 GLN CD C 35.446 40.650 14.143 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 13 . 1839 . 1 1 2 GLN CG C 35.050 39.793 12.947 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 13 . 1840 . 1 1 2 GLN H H 33.125 37.425 13.298 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 13 . 1841 . 1 1 2 GLN HA H 35.046 37.955 11.139 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 13 . 1842 . 1 1 2 GLN HB2 H 35.148 38.130 14.247 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1843 . 1 1 2 GLN HB3 H 36.587 38.332 13.260 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1844 . 1 1 2 GLN HE21 H 37.393 41.062 13.585 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 13 . 1845 . 1 1 2 GLN HE22 H 36.724 41.884 15.000 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 13 . 1846 . 1 1 2 GLN HG2 H 35.447 40.222 12.038 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 13 . 1847 . 1 1 2 GLN HG3 H 33.967 39.690 12.842 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 13 . 1848 . 1 1 2 GLN N N 33.522 37.340 12.370 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 13 . 1849 . 1 1 2 GLN NE2 N 36.660 41.178 14.281 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 13 . 1850 . 1 1 2 GLN O O 35.218 35.244 12.740 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 13 . 1851 . 1 1 2 GLN OE1 O 34.592 40.868 14.995 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 13 . 1852 . 1 1 3 DPR C C 37.161 33.618 10.889 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 13 . 1853 . 1 1 3 DPR CA C 37.669 34.941 11.442 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 13 . 1854 . 1 1 3 DPR CB C 38.936 35.326 10.675 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 13 . 1855 . 1 1 3 DPR CD C 37.285 37.009 10.337 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 13 . 1856 . 1 1 3 DPR CG C 38.416 36.285 9.608 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 13 . 1857 . 1 1 3 DPR HA H 37.930 34.775 12.489 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 13 . 1858 . 1 1 3 DPR HB2 H 39.451 34.459 10.267 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1859 . 1 1 3 DPR HB3 H 39.502 35.877 11.425 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1860 . 1 1 3 DPR HD2 H 36.508 37.362 9.656 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 13 . 1861 . 1 1 3 DPR HD3 H 37.742 37.777 10.956 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 13 . 1862 . 1 1 3 DPR HG2 H 37.988 35.817 8.727 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 13 . 1863 . 1 1 3 DPR HG3 H 39.199 36.946 9.232 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 13 . 1864 . 1 1 3 DPR N N 36.719 36.016 11.226 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 13 . 1865 . 1 1 3 DPR O O 36.364 33.521 9.955 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 13 . 1866 . 1 1 4 . C C 38.407 30.152 11.496 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 13 . 1867 . 1 1 4 . CA C 37.370 31.189 11.085 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 13 . 1868 . 1 1 4 . CB C 36.025 30.853 11.730 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 13 . 1869 . 1 1 4 . H H 38.267 32.663 12.304 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 13 . 1870 . 1 1 4 . HA H 37.185 31.193 10.018 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 13 . 1871 . 1 1 4 . HB2 H 35.950 31.367 12.684 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1872 . 1 1 4 . HB3 H 36.022 29.801 12.029 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1873 . 1 1 4 . N N 37.612 32.545 11.537 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 13 . 1874 . 1 1 4 . O O 39.375 30.515 12.162 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 13 . 1875 . 1 1 4 . SG S 34.511 31.142 10.784 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 13 . 1876 . 1 1 5 . C C 38.911 27.540 13.146 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 13 . 1877 . 1 1 5 . CA C 39.080 27.821 11.656 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 13 . 1878 . 1 1 5 . CB C 38.841 26.617 10.754 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 13 . 1879 . 1 1 5 . CD C 39.632 24.221 10.249 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 13 . 1880 . 1 1 5 . CE C 40.881 23.352 10.399 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 13 . 1881 . 1 1 5 . CG C 39.731 25.444 11.141 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 13 . 1882 . 1 1 5 . H H 37.427 28.632 10.606 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 13 . 1883 . 1 1 5 . HA H 40.099 28.183 11.591 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 13 . 1884 . 1 1 5 . HB2 H 39.061 26.997 9.757 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1885 . 1 1 5 . HB3 H 37.797 26.295 10.821 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1886 . 1 1 5 . HD2 H 39.602 24.468 9.182 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 13 . 1887 . 1 1 5 . HD3 H 38.691 23.742 10.525 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 13 . 1888 . 1 1 5 . HE2 H 40.958 23.097 11.450 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 13 . 1889 . 1 1 5 . HE3 H 41.789 23.862 10.075 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 13 . 1890 . 1 1 5 . HG2 H 39.481 25.032 12.125 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 13 . 1891 . 1 1 5 . HG3 H 40.765 25.778 11.160 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 13 . 1892 . 1 1 5 . HZ1 H 39.901 21.599 10.122 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 13 . 1893 . 1 1 5 . HZ2 H 41.478 21.521 9.615 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 13 . 1894 . 1 1 5 . HZ3 H 40.360 22.278 8.705 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 13 . 1895 . 1 1 5 . N N 38.259 28.886 11.116 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 13 . 1896 . 1 1 5 . NZ N 40.650 22.097 9.659 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 13 . 1897 . 1 1 5 . O O 37.787 27.453 13.640 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 13 . 1898 . 1 1 6 ASP C C 39.913 28.810 15.894 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 13 . 1899 . 1 1 6 ASP CA C 40.134 27.427 15.307 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 13 . 1900 . 1 1 6 ASP CB C 41.493 26.859 15.699 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 13 . 1901 . 1 1 6 ASP CG C 42.591 27.567 14.919 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 13 . 1902 . 1 1 6 ASP H H 40.885 27.578 13.340 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 13 . 1903 . 1 1 6 ASP HA H 39.290 26.876 15.736 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 13 . 1904 . 1 1 6 ASP HB2 H 41.560 26.807 16.784 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1905 . 1 1 6 ASP HB3 H 41.537 25.837 15.329 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1906 . 1 1 6 ASP N N 40.030 27.433 13.866 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 13 . 1907 . 1 1 6 ASP O O 39.918 28.952 17.116 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 13 . 1908 . 1 1 6 ASP OD1 O 42.955 27.086 13.826 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 13 . 1909 . 1 1 6 ASP OD2 O 43.087 28.610 15.406 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 13 . 1910 . 1 1 7 SER C C 38.920 32.091 14.933 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 13 . 1911 . 1 1 7 SER CA C 40.041 31.250 15.526 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 13 . 1912 . 1 1 7 SER CB C 41.388 31.785 15.040 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 13 . 1913 . 1 1 7 SER H H 39.847 29.776 14.081 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 13 . 1914 . 1 1 7 SER HA H 40.063 31.319 16.614 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 13 . 1915 . 1 1 7 SER HB2 H 41.325 31.915 13.961 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1916 . 1 1 7 SER HB3 H 41.373 32.822 15.362 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1917 . 1 1 7 SER HG H 42.678 30.242 15.116 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 13 . 1918 . 1 1 7 SER N N 39.916 29.878 15.077 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 13 . 1919 . 1 1 7 SER O O 39.111 32.900 14.033 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 13 . 1920 . 1 1 7 SER OG O 42.502 31.078 15.554 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 13 . 1921 . 1 1 8 . C C 35.223 32.224 15.125 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 13 . 1922 . 1 1 8 . CA C 36.605 32.850 15.242 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 13 . 1923 . 1 1 8 . CB C 36.531 33.815 16.425 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 13 . 1924 . 1 1 8 . CD1 C 37.598 36.053 15.738 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 13 . 1925 . 1 1 8 . CD2 C 38.825 34.514 17.113 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 13 . 1926 . 1 1 8 . CE1 C 38.727 36.887 15.714 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 13 . 1927 . 1 1 8 . CE2 C 39.906 35.390 17.241 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 13 . 1928 . 1 1 8 . CG C 37.645 34.831 16.430 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 13 . 1929 . 1 1 8 . CZ C 39.877 36.563 16.467 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 13 . 1930 . 1 1 8 . H H 37.638 31.487 16.416 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 13 . 1931 . 1 1 8 . HA H 36.734 33.504 14.385 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 13 . 1932 . 1 1 8 . HB2 H 36.601 33.220 17.332 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1933 . 1 1 8 . HB3 H 35.617 34.407 16.401 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1934 . 1 1 8 . HD1 H 36.774 36.293 15.095 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 13 . 1935 . 1 1 8 . HD2 H 38.881 33.601 17.699 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 13 . 1936 . 1 1 8 . HE1 H 38.816 37.772 15.099 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 13 . 1937 . 1 1 8 . HE2 H 40.862 35.086 17.650 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 13 . 1938 . 1 1 8 . HH H 41.758 36.825 16.576 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 13 . 1939 . 1 1 8 . N N 37.739 31.995 15.545 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 13 . 1940 . 1 1 8 . O O 34.922 31.175 15.702 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 13 . 1941 . 1 1 8 . OH O 40.988 37.337 16.299 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 13 . 1942 . 1 1 9 . C C 32.087 33.720 14.734 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 13 . 1943 . 1 1 9 . CA C 32.935 32.545 14.250 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 13 . 1944 . 1 1 9 . CB C 32.521 32.288 12.804 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 13 . 1945 . 1 1 9 . H H 34.671 33.828 14.173 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 13 . 1946 . 1 1 9 . HA H 32.758 31.666 14.859 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 13 . 1947 . 1 1 9 . HB2 H 32.793 33.117 12.153 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1948 . 1 1 9 . HB3 H 31.436 32.244 12.730 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1949 . 1 1 9 . N N 34.330 32.906 14.397 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 13 . 1950 . 1 1 9 . O O 31.513 34.417 13.901 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 13 . 1951 . 1 1 9 . SG S 33.167 30.695 12.238 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 13 . 1952 . 1 1 10 PRO C C 31.753 36.231 16.143 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 13 . 1953 . 1 1 10 PRO CA C 31.250 34.926 16.744 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 13 . 1954 . 1 1 10 PRO CB C 31.616 34.654 18.194 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 13 . 1955 . 1 1 10 PRO CD C 32.466 32.886 17.007 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 13 . 1956 . 1 1 10 PRO CG C 31.805 33.147 18.353 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 13 . 1957 . 1 1 10 PRO HA H 30.178 34.884 16.583 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 13 . 1958 . 1 1 10 PRO HB2 H 32.612 35.018 18.453 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1959 . 1 1 10 PRO HB3 H 30.924 35.073 18.931 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1960 . 1 1 10 PRO HD2 H 33.494 33.213 17.164 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 13 . 1961 . 1 1 10 PRO HD3 H 32.400 31.823 16.803 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 13 . 1962 . 1 1 10 PRO HG2 H 32.446 32.877 19.189 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 13 . 1963 . 1 1 10 PRO HG3 H 30.812 32.690 18.445 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 13 . 1964 . 1 1 10 PRO N N 31.909 33.827 16.058 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 13 . 1965 . 1 1 10 PRO O O 32.951 36.456 15.946 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 13 . 1966 . 1 1 11 . C C 31.020 38.591 13.807 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 13 . 1967 . 1 1 11 . CA C 31.008 38.446 15.317 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 13 . 1968 . 1 1 11 . CB C 29.919 39.357 15.869 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 13 . 1969 . 1 1 11 . H H 29.833 36.813 15.920 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 13 . 1970 . 1 1 11 . HA H 32.006 38.776 15.627 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 13 . 1971 . 1 1 11 . HB2 H 28.949 38.877 16.005 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 13 . 1972 . 1 1 11 . HB3 H 29.735 40.192 15.199 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 13 . 1973 . 1 1 11 . HG H 29.609 40.431 17.309 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 13 . 1974 . 1 1 11 . N N 30.798 37.103 15.822 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 13 . 1975 . 1 1 11 . O O 31.244 39.659 13.250 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 13 . 1976 . 1 1 11 . OG O 30.382 39.927 17.076 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 14 . 1977 . 1 1 1 DAL C C 32.872 37.037 11.431 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 14 . 1978 . 1 1 1 DAL CA C 31.378 36.783 11.509 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 14 . 1979 . 1 1 1 DAL CB C 30.941 35.345 11.230 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 14 . 1980 . 1 1 1 DAL H1 H 30.652 36.256 13.430 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 14 . 1981 . 1 1 1 DAL HA H 30.893 37.467 10.822 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 14 . 1982 . 1 1 1 DAL HB1 H 31.504 34.560 11.723 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 14 . 1983 . 1 1 1 DAL HB2 H 31.077 35.257 10.144 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 14 . 1984 . 1 1 1 DAL HB3 H 29.874 35.213 11.377 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 14 . 1985 . 1 1 1 DAL N N 30.938 37.054 12.867 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 14 . 1986 . 1 1 1 DAL O O 33.341 37.309 10.319 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 14 . 1987 . 1 1 2 GLN C C 35.955 36.105 12.222 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 14 . 1988 . 1 1 2 GLN CA C 35.059 37.283 12.560 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 14 . 1989 . 1 1 2 GLN CB C 35.317 37.771 13.993 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 14 . 1990 . 1 1 2 GLN CD C 35.035 39.638 15.765 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 14 . 1991 . 1 1 2 GLN CG C 34.652 39.079 14.406 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 14 . 1992 . 1 1 2 GLN H H 33.201 36.367 13.233 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 14 . 1993 . 1 1 2 GLN HA H 35.237 38.159 11.947 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 14 . 1994 . 1 1 2 GLN HB2 H 35.139 36.995 14.737 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 14 . 1995 . 1 1 2 GLN HB3 H 36.389 37.942 14.092 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 14 . 1996 . 1 1 2 GLN HE21 H 34.133 41.481 15.584 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 14 . 1997 . 1 1 2 GLN HE22 H 35.030 41.145 17.070 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 14 . 1998 . 1 1 2 GLN HG2 H 35.071 39.728 13.632 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 14 . 1999 . 1 1 2 GLN HG3 H 33.573 39.021 14.280 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 14 . 2000 . 1 1 2 GLN N N 33.669 36.871 12.488 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 14 . 2001 . 1 1 2 GLN NE2 N 34.724 40.885 16.140 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 14 . 2002 . 1 1 2 GLN O O 35.887 35.127 12.968 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 14 . 2003 . 1 1 2 GLN OE1 O 35.698 39.005 16.580 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 14 . 2004 . 1 1 3 DPR C C 37.167 33.746 10.720 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 14 . 2005 . 1 1 3 DPR CA C 37.848 35.063 11.057 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 14 . 2006 . 1 1 3 DPR CB C 38.786 35.552 9.951 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 14 . 2007 . 1 1 3 DPR CD C 37.140 37.189 10.321 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 14 . 2008 . 1 1 3 DPR CG C 38.044 36.657 9.212 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 14 . 2009 . 1 1 3 DPR HA H 38.406 34.925 11.985 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 14 . 2010 . 1 1 3 DPR HB2 H 39.046 34.740 9.282 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 14 . 2011 . 1 1 3 DPR HB3 H 39.646 36.022 10.444 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 14 . 2012 . 1 1 3 DPR HD2 H 36.204 37.481 9.848 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 14 . 2013 . 1 1 3 DPR HD3 H 37.688 38.064 10.670 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 14 . 2014 . 1 1 3 DPR HG2 H 37.373 36.246 8.459 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 14 . 2015 . 1 1 3 DPR HG3 H 38.609 37.397 8.644 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 14 . 2016 . 1 1 3 DPR N N 36.914 36.147 11.299 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 14 . 2017 . 1 1 3 DPR O O 36.012 33.672 10.306 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 14 . 2018 . 1 1 4 . C C 38.303 30.283 11.075 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 14 . 2019 . 1 1 4 . CA C 37.202 31.322 10.986 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 14 . 2020 . 1 1 4 . CB C 36.179 31.206 12.115 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 14 . 2021 . 1 1 4 . H H 38.818 32.641 11.233 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 14 . 2022 . 1 1 4 . HA H 36.760 31.287 9.989 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 14 . 2023 . 1 1 4 . HB2 H 35.785 32.151 12.489 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 14 . 2024 . 1 1 4 . HB3 H 36.673 30.898 13.034 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 14 . 2025 . 1 1 4 . N N 37.824 32.637 11.043 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 14 . 2026 . 1 1 4 . O O 39.474 30.622 11.196 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 14 . 2027 . 1 1 4 . SG S 34.647 30.262 11.882 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 14 . 2028 . 1 1 5 . C C 38.935 27.966 12.923 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 14 . 2029 . 1 1 5 . CA C 38.791 27.966 11.408 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 14 . 2030 . 1 1 5 . CB C 38.335 26.625 10.832 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 14 . 2031 . 1 1 5 . CD C 38.978 24.203 10.705 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 14 . 2032 . 1 1 5 . CE C 39.981 23.121 11.076 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 14 . 2033 . 1 1 5 . CG C 39.338 25.572 11.290 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 14 . 2034 . 1 1 5 . H H 36.933 28.783 10.947 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 14 . 2035 . 1 1 5 . HA H 39.721 28.200 10.907 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 14 . 2036 . 1 1 5 . HB2 H 38.204 26.613 9.752 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 14 . 2037 . 1 1 5 . HB3 H 37.338 26.416 11.230 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 14 . 2038 . 1 1 5 . HD2 H 39.093 24.208 9.621 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 14 . 2039 . 1 1 5 . HD3 H 37.965 23.868 10.913 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 14 . 2040 . 1 1 5 . HE2 H 40.997 23.483 10.909 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 14 . 2041 . 1 1 5 . HE3 H 39.876 22.176 10.538 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 14 . 2042 . 1 1 5 . HG2 H 39.261 25.490 12.382 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 14 . 2043 . 1 1 5 . HG3 H 40.332 25.882 10.969 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 14 . 2044 . 1 1 5 . HZ1 H 40.257 23.549 13.110 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 14 . 2045 . 1 1 5 . HZ2 H 40.479 21.954 12.685 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 14 . 2046 . 1 1 5 . HZ3 H 39.033 22.513 12.857 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 14 . 2047 . 1 1 5 . N N 37.914 29.017 10.916 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 14 . 2048 . 1 1 5 . NZ N 39.941 22.795 12.517 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 14 . 2049 . 1 1 5 . O O 37.907 28.011 13.599 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 14 . 2050 . 1 1 6 ASP C C 40.020 28.444 15.710 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 14 . 2051 . 1 1 6 ASP CA C 40.424 27.332 14.758 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 14 . 2052 . 1 1 6 ASP CB C 41.830 26.763 14.967 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 14 . 2053 . 1 1 6 ASP CG C 42.305 25.587 14.134 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 14 . 2054 . 1 1 6 ASP H H 40.868 27.813 12.671 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 14 . 2055 . 1 1 6 ASP HA H 39.819 26.439 14.898 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 14 . 2056 . 1 1 6 ASP HB2 H 42.543 27.586 14.911 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 14 . 2057 . 1 1 6 ASP HB3 H 41.771 26.273 15.943 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 14 . 2058 . 1 1 6 ASP N N 40.156 27.699 13.378 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 14 . 2059 . 1 1 6 ASP O O 39.485 28.190 16.786 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 14 . 2060 . 1 1 6 ASP OD1 O 42.045 24.436 14.549 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 14 . 2061 . 1 1 6 ASP OD2 O 42.997 25.785 13.109 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 14 . 2062 . 1 1 7 SER C C 39.071 31.773 15.236 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 14 . 2063 . 1 1 7 SER CA C 39.886 30.823 16.093 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 14 . 2064 . 1 1 7 SER CB C 41.032 31.498 16.846 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 14 . 2065 . 1 1 7 SER H H 40.785 29.737 14.416 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 14 . 2066 . 1 1 7 SER HA H 39.237 30.496 16.906 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 14 . 2067 . 1 1 7 SER HB2 H 41.505 32.275 16.262 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 14 . 2068 . 1 1 7 SER HB3 H 40.605 31.995 17.717 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 14 . 2069 . 1 1 7 SER HG H 41.611 30.099 17.996 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 14 . 2070 . 1 1 7 SER N N 40.363 29.681 15.335 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 14 . 2071 . 1 1 7 SER O O 39.343 32.026 14.060 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 14 . 2072 . 1 1 7 SER OG O 41.989 30.524 17.220 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 14 . 2073 . 1 1 8 . C C 35.553 32.627 15.475 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 14 . 2074 . 1 1 8 . CA C 36.982 33.123 15.410 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 14 . 2075 . 1 1 8 . CB C 37.175 34.456 16.136 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 14 . 2076 . 1 1 8 . CD1 C 38.877 35.845 14.951 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 14 . 2077 . 1 1 8 . CD2 C 39.442 35.138 17.164 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 14 . 2078 . 1 1 8 . CE1 C 40.104 36.490 14.769 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 14 . 2079 . 1 1 8 . CE2 C 40.699 35.739 17.017 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 14 . 2080 . 1 1 8 . CG C 38.513 35.154 16.110 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 14 . 2081 . 1 1 8 . CZ C 41.016 36.444 15.848 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 14 . 2082 . 1 1 8 . H H 37.813 31.948 16.843 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 14 . 2083 . 1 1 8 . HA H 37.155 33.338 14.347 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 14 . 2084 . 1 1 8 . HB2 H 36.964 34.257 17.182 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 14 . 2085 . 1 1 8 . HB3 H 36.419 35.154 15.791 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 14 . 2086 . 1 1 8 . HD1 H 38.159 36.064 14.173 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 14 . 2087 . 1 1 8 . HD2 H 39.331 34.490 18.016 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 14 . 2088 . 1 1 8 . HE1 H 40.389 36.966 13.843 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 14 . 2089 . 1 1 8 . HE2 H 41.485 35.697 17.760 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 14 . 2090 . 1 1 8 . HH H 42.699 36.922 16.687 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 14 . 2091 . 1 1 8 . N N 38.028 32.261 15.919 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 14 . 2092 . 1 1 8 . O O 35.301 31.610 16.121 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 14 . 2093 . 1 1 8 . OH O 42.197 37.123 15.894 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 14 . 2094 . 1 1 9 . C C 32.204 33.991 15.159 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 14 . 2095 . 1 1 9 . CA C 33.203 32.868 14.898 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 14 . 2096 . 1 1 9 . CB C 32.968 32.101 13.592 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 14 . 2097 . 1 1 9 . H H 34.895 34.075 14.277 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 14 . 2098 . 1 1 9 . HA H 33.098 32.054 15.617 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 14 . 2099 . 1 1 9 . HB2 H 33.477 32.667 12.809 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 14 . 2100 . 1 1 9 . HB3 H 31.936 31.966 13.283 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 14 . 2101 . 1 1 9 . N N 34.574 33.318 14.866 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 14 . 2102 . 1 1 9 . O O 31.864 34.712 14.234 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 14 . 2103 . 1 1 9 . SG S 33.683 30.442 13.666 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 14 . 2104 . 1 1 10 PRO C C 31.185 36.588 16.263 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 14 . 2105 . 1 1 10 PRO CA C 30.838 35.224 16.834 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 14 . 2106 . 1 1 10 PRO CB C 30.814 35.255 18.363 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 14 . 2107 . 1 1 10 PRO CD C 32.404 33.612 17.567 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 14 . 2108 . 1 1 10 PRO CG C 32.132 34.581 18.709 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 14 . 2109 . 1 1 10 PRO HA H 29.884 34.948 16.377 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 14 . 2110 . 1 1 10 PRO HB2 H 30.682 36.310 18.634 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 14 . 2111 . 1 1 10 PRO HB3 H 30.103 34.565 18.810 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 14 . 2112 . 1 1 10 PRO HD2 H 33.474 33.447 17.466 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 14 . 2113 . 1 1 10 PRO HD3 H 31.923 32.643 17.745 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 14 . 2114 . 1 1 10 PRO HG2 H 32.924 35.320 18.864 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 14 . 2115 . 1 1 10 PRO HG3 H 32.018 34.140 19.701 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 14 . 2116 . 1 1 10 PRO N N 31.799 34.224 16.407 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 14 . 2117 . 1 1 10 PRO O O 32.345 36.994 16.362 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 14 . 2118 . 1 1 11 . C C 31.091 38.221 13.484 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 14 . 2119 . 1 1 11 . CA C 30.560 38.492 14.887 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 14 . 2120 . 1 1 11 . CB C 29.367 39.428 14.695 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 14 . 2121 . 1 1 11 . H H 29.323 37.051 15.933 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 14 . 2122 . 1 1 11 . HA H 31.248 39.093 15.470 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 14 . 2123 . 1 1 11 . HB2 H 28.579 39.000 14.069 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 14 . 2124 . 1 1 11 . HB3 H 29.788 40.281 14.170 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 14 . 2125 . 1 1 11 . HG H 28.240 40.396 15.934 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 14 . 2126 . 1 1 11 . N N 30.252 37.275 15.614 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 14 . 2127 . 1 1 11 . O O 31.651 39.145 12.902 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 14 . 2128 . 1 1 11 . OG O 28.960 39.757 16.004 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 15 . 2129 . 1 1 1 DAL C C 33.259 36.745 11.417 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 15 . 2130 . 1 1 1 DAL CA C 31.771 36.428 11.389 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 15 . 2131 . 1 1 1 DAL CB C 31.482 34.941 11.260 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 15 . 2132 . 1 1 1 DAL H1 H 30.876 36.272 13.278 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 15 . 2133 . 1 1 1 DAL HA H 31.394 36.915 10.487 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 15 . 2134 . 1 1 1 DAL HB1 H 32.125 34.294 11.859 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 15 . 2135 . 1 1 1 DAL HB2 H 31.525 34.681 10.201 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2136 . 1 1 1 DAL HB3 H 30.447 34.784 11.586 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2137 . 1 1 1 DAL N N 31.037 36.936 12.539 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 15 . 2138 . 1 1 1 DAL O O 33.840 37.077 10.391 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 15 . 2139 . 1 1 2 GLN C C 36.101 36.024 12.727 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 15 . 2140 . 1 1 2 GLN CA C 35.139 37.176 12.993 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 15 . 2141 . 1 1 2 GLN CB C 35.150 37.905 14.335 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 15 . 2142 . 1 1 2 GLN CD C 34.407 40.011 15.504 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 15 . 2143 . 1 1 2 GLN CG C 34.621 39.323 14.160 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 15 . 2144 . 1 1 2 GLN H H 33.336 36.132 13.313 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 15 . 2145 . 1 1 2 GLN HA H 35.333 37.954 12.248 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 15 . 2146 . 1 1 2 GLN HB2 H 34.433 37.366 14.967 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2147 . 1 1 2 GLN HB3 H 36.144 37.871 14.789 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2148 . 1 1 2 GLN HE21 H 36.421 40.131 15.707 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 15 . 2149 . 1 1 2 GLN HE22 H 35.434 40.644 17.087 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 15 . 2150 . 1 1 2 GLN HG2 H 35.369 39.884 13.605 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 15 . 2151 . 1 1 2 GLN HG3 H 33.671 39.352 13.625 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 15 . 2152 . 1 1 2 GLN N N 33.810 36.704 12.635 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 15 . 2153 . 1 1 2 GLN NE2 N 35.528 40.342 16.132 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 15 . 2154 . 1 1 2 GLN O O 36.021 35.086 13.521 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 15 . 2155 . 1 1 2 GLN OE1 O 33.307 40.193 16.035 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 15 . 2156 . 1 1 3 DPR C C 37.294 33.776 10.956 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 15 . 2157 . 1 1 3 DPR CA C 37.957 35.077 11.389 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 15 . 2158 . 1 1 3 DPR CB C 38.884 35.667 10.331 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 15 . 2159 . 1 1 3 DPR CD C 37.250 37.260 10.918 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 15 . 2160 . 1 1 3 DPR CG C 38.725 37.172 10.521 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 15 . 2161 . 1 1 3 DPR HA H 38.619 34.892 12.237 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 15 . 2162 . 1 1 3 DPR HB2 H 38.589 35.413 9.312 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2163 . 1 1 3 DPR HB3 H 39.947 35.535 10.556 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2164 . 1 1 3 DPR HD2 H 36.591 37.159 10.062 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 15 . 2165 . 1 1 3 DPR HD3 H 37.039 38.181 11.466 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 15 . 2166 . 1 1 3 DPR HG2 H 39.065 37.722 9.638 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 15 . 2167 . 1 1 3 DPR HG3 H 39.269 37.606 11.370 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 15 . 2168 . 1 1 3 DPR N N 37.011 36.105 11.757 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 15 . 2169 . 1 1 3 DPR O O 36.556 33.758 9.976 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 15 . 2170 . 1 1 4 . C C 37.930 30.256 11.519 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 15 . 2171 . 1 1 4 . CA C 36.976 31.444 11.558 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 15 . 2172 . 1 1 4 . CB C 36.139 31.345 12.827 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 15 . 2173 . 1 1 4 . H H 38.429 32.778 12.307 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 15 . 2174 . 1 1 4 . HA H 36.240 31.370 10.752 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 15 . 2175 . 1 1 4 . HB2 H 35.742 32.351 12.977 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2176 . 1 1 4 . HB3 H 36.800 31.146 13.673 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2177 . 1 1 4 . N N 37.688 32.699 11.625 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 15 . 2178 . 1 1 4 . O O 39.045 30.416 12.002 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 15 . 2179 . 1 1 4 . SG S 34.770 30.183 12.586 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 15 . 2180 . 1 1 5 . C C 38.550 27.702 12.662 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 15 . 2181 . 1 1 5 . CA C 38.344 27.852 11.169 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 15 . 2182 . 1 1 5 . CB C 37.462 26.731 10.608 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 15 . 2183 . 1 1 5 . CD C 37.457 24.276 10.203 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 15 . 2184 . 1 1 5 . CE C 38.003 22.905 10.611 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 15 . 2185 . 1 1 5 . CG C 38.192 25.426 10.880 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 15 . 2186 . 1 1 5 . H H 36.634 28.905 10.706 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 15 . 2187 . 1 1 5 . HA H 39.302 27.924 10.648 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 15 . 2188 . 1 1 5 . HB2 H 37.310 26.827 9.530 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2189 . 1 1 5 . HB3 H 36.510 26.693 11.140 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2190 . 1 1 5 . HD2 H 37.428 24.306 9.111 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 15 . 2191 . 1 1 5 . HD3 H 36.435 24.321 10.554 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 15 . 2192 . 1 1 5 . HE2 H 38.579 22.967 11.531 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 15 . 2193 . 1 1 5 . HE3 H 38.670 22.643 9.802 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 15 . 2194 . 1 1 5 . HG2 H 38.366 25.224 11.937 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 15 . 2195 . 1 1 5 . HG3 H 39.186 25.477 10.427 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 15 . 2196 . 1 1 5 . HZ1 H 36.372 21.775 9.977 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 15 . 2197 . 1 1 5 . HZ2 H 36.384 22.170 11.610 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 15 . 2198 . 1 1 5 . HZ3 H 37.346 21.015 11.043 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 15 . 2199 . 1 1 5 . N N 37.586 29.081 10.993 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 15 . 2200 . 1 1 5 . NZ N 36.933 21.903 10.800 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 15 . 2201 . 1 1 5 . O O 37.678 27.769 13.530 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 15 . 2202 . 1 1 6 ASP C C 40.254 28.561 15.250 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 15 . 2203 . 1 1 6 ASP CA C 40.240 27.305 14.388 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 15 . 2204 . 1 1 6 ASP CB C 41.508 26.486 14.589 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 15 . 2205 . 1 1 6 ASP CG C 41.558 25.329 13.613 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 15 . 2206 . 1 1 6 ASP H H 40.504 27.639 12.277 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 15 . 2207 . 1 1 6 ASP HA H 39.422 26.737 14.846 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 15 . 2208 . 1 1 6 ASP HB2 H 42.318 27.168 14.325 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2209 . 1 1 6 ASP HB3 H 41.650 26.086 15.598 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2210 . 1 1 6 ASP N N 39.828 27.552 13.023 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 15 . 2211 . 1 1 6 ASP O O 40.292 28.451 16.477 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 15 . 2212 . 1 1 6 ASP OD1 O 41.129 24.209 13.962 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 15 . 2213 . 1 1 6 ASP OD2 O 42.095 25.386 12.483 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 15 . 2214 . 1 1 7 SER C C 39.139 31.949 15.033 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 15 . 2215 . 1 1 7 SER CA C 40.328 31.068 15.391 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 15 . 2216 . 1 1 7 SER CB C 41.686 31.652 15.020 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 15 . 2217 . 1 1 7 SER H H 40.063 29.865 13.720 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 15 . 2218 . 1 1 7 SER HA H 40.388 31.028 16.477 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 15 . 2219 . 1 1 7 SER HB2 H 41.754 31.732 13.930 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2220 . 1 1 7 SER HB3 H 41.808 32.648 15.429 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2221 . 1 1 7 SER HG H 42.910 30.267 14.638 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 15 . 2222 . 1 1 7 SER N N 40.176 29.785 14.724 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 15 . 2223 . 1 1 7 SER O O 39.214 32.628 14.014 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 15 . 2224 . 1 1 7 SER OG O 42.683 30.740 15.439 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 15 . 2225 . 1 1 8 . C C 35.838 32.761 16.251 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 15 . 2226 . 1 1 8 . CA C 37.213 33.243 15.793 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 15 . 2227 . 1 1 8 . CB C 37.671 34.461 16.583 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 15 . 2228 . 1 1 8 . CD1 C 39.193 35.997 15.332 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 15 . 2229 . 1 1 8 . CD2 C 40.179 34.427 16.927 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 15 . 2230 . 1 1 8 . CE1 C 40.486 36.306 14.919 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 15 . 2231 . 1 1 8 . CE2 C 41.478 34.836 16.607 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 15 . 2232 . 1 1 8 . CG C 39.062 34.961 16.275 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 15 . 2233 . 1 1 8 . CZ C 41.613 35.715 15.518 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 15 . 2234 . 1 1 8 . H H 38.230 31.743 16.834 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 15 . 2235 . 1 1 8 . HA H 37.158 33.485 14.735 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 15 . 2236 . 1 1 8 . HB2 H 37.581 34.264 17.651 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2237 . 1 1 8 . HB3 H 36.978 35.271 16.342 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2238 . 1 1 8 . HD1 H 38.271 36.422 14.962 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 15 . 2239 . 1 1 8 . HD2 H 39.957 33.775 17.761 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 15 . 2240 . 1 1 8 . HE1 H 40.649 37.095 14.203 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 15 . 2241 . 1 1 8 . HE2 H 42.304 34.329 17.092 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 15 . 2242 . 1 1 8 . HH H 43.437 35.620 15.762 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 15 . 2243 . 1 1 8 . N N 38.157 32.159 15.916 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 15 . 2244 . 1 1 8 . O O 35.688 32.057 17.241 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 15 . 2245 . 1 1 8 . OH O 42.866 36.143 15.189 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 15 . 2246 . 1 1 9 . C C 32.496 34.063 15.561 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 15 . 2247 . 1 1 9 . CA C 33.462 32.892 15.636 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 15 . 2248 . 1 1 9 . CB C 33.096 31.952 14.493 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 15 . 2249 . 1 1 9 . H H 35.156 33.905 14.791 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 15 . 2250 . 1 1 9 . HA H 33.404 32.299 16.556 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 15 . 2251 . 1 1 9 . HB2 H 33.232 32.384 13.504 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2252 . 1 1 9 . HB3 H 32.032 31.722 14.609 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2253 . 1 1 9 . N N 34.855 33.264 15.503 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 15 . 2254 . 1 1 9 . O O 32.628 34.679 14.501 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 15 . 2255 . 1 1 9 . SG S 33.941 30.351 14.441 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 15 . 2256 . 1 1 10 PRO C C 30.938 36.743 15.860 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 15 . 2257 . 1 1 10 PRO CA C 30.609 35.377 16.448 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 15 . 2258 . 1 1 10 PRO CB C 30.071 35.533 17.865 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 15 . 2259 . 1 1 10 PRO CD C 31.766 33.813 17.877 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 15 . 2260 . 1 1 10 PRO CG C 30.440 34.207 18.535 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 15 . 2261 . 1 1 10 PRO HA H 29.757 35.057 15.849 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 15 . 2262 . 1 1 10 PRO HB2 H 30.579 36.386 18.305 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2263 . 1 1 10 PRO HB3 H 28.983 35.677 17.852 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2264 . 1 1 10 PRO HD2 H 32.656 34.207 18.352 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 15 . 2265 . 1 1 10 PRO HD3 H 31.782 32.718 17.935 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 15 . 2266 . 1 1 10 PRO HG2 H 30.643 34.203 19.603 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 15 . 2267 . 1 1 10 PRO HG3 H 29.712 33.471 18.187 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 15 . 2268 . 1 1 10 PRO N N 31.675 34.395 16.550 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 15 . 2269 . 1 1 10 PRO O O 31.908 37.438 16.169 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 15 . 2270 . 1 1 11 . C C 30.753 38.195 12.886 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 15 . 2271 . 1 1 11 . CA C 30.130 38.417 14.248 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 15 . 2272 . 1 1 11 . CB C 28.710 38.908 13.975 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 15 . 2273 . 1 1 11 . H H 29.314 36.557 14.654 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 15 . 2274 . 1 1 11 . HA H 30.624 39.189 14.847 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 15 . 2275 . 1 1 11 . HB2 H 28.700 39.926 13.577 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 15 . 2276 . 1 1 11 . HB3 H 28.071 38.961 14.864 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 15 . 2277 . 1 1 11 . HG H 27.297 38.520 12.849 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 15 . 2278 . 1 1 11 . N N 30.023 37.185 15.013 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 15 . 2279 . 1 1 11 . O O 31.080 39.119 12.147 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 15 . 2280 . 1 1 11 . OG O 28.095 38.029 13.071 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 16 . 2281 . 1 1 1 DAL C C 33.131 37.200 11.275 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 16 . 2282 . 1 1 1 DAL CA C 31.769 36.565 11.476 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 16 . 2283 . 1 1 1 DAL CB C 31.725 35.056 11.263 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 16 . 2284 . 1 1 1 DAL H1 H 31.211 36.051 13.474 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 16 . 2285 . 1 1 1 DAL HA H 31.071 36.904 10.703 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 16 . 2286 . 1 1 1 DAL HB1 H 30.701 34.736 11.426 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 16 . 2287 . 1 1 1 DAL HB2 H 32.556 34.584 11.789 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2288 . 1 1 1 DAL HB3 H 31.807 34.884 10.185 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2289 . 1 1 1 DAL N N 31.148 36.780 12.773 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 16 . 2290 . 1 1 1 DAL O O 33.623 37.425 10.169 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 16 . 2291 . 1 1 2 GLN C C 36.011 36.453 12.325 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 16 . 2292 . 1 1 2 GLN CA C 35.201 37.734 12.466 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 16 . 2293 . 1 1 2 GLN CB C 35.596 38.527 13.704 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 16 . 2294 . 1 1 2 GLN CD C 35.624 40.794 12.676 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 16 . 2295 . 1 1 2 GLN CG C 35.024 39.939 13.777 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 16 . 2296 . 1 1 2 GLN H H 33.367 37.061 13.266 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 16 . 2297 . 1 1 2 GLN HA H 35.417 38.399 11.620 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 16 . 2298 . 1 1 2 GLN HB2 H 35.313 37.895 14.537 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2299 . 1 1 2 GLN HB3 H 36.683 38.614 13.844 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2300 . 1 1 2 GLN HE21 H 33.833 41.357 11.972 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 16 . 2301 . 1 1 2 GLN HE22 H 35.152 42.257 11.283 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 16 . 2302 . 1 1 2 GLN HG2 H 33.961 39.796 13.571 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 16 . 2303 . 1 1 2 GLN HG3 H 35.253 40.362 14.753 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 16 . 2304 . 1 1 2 GLN N N 33.795 37.378 12.413 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 16 . 2305 . 1 1 2 GLN NE2 N 34.826 41.526 11.899 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 16 . 2306 . 1 1 2 GLN O O 35.810 35.564 13.149 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 16 . 2307 . 1 1 2 GLN OE1 O 36.840 40.907 12.541 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 16 . 2308 . 1 1 3 DPR C C 36.982 33.914 10.986 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 16 . 2309 . 1 1 3 DPR CA C 37.747 35.234 11.033 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 16 . 2310 . 1 1 3 DPR CB C 38.351 35.583 9.684 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 16 . 2311 . 1 1 3 DPR CD C 37.221 37.479 10.466 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 16 . 2312 . 1 1 3 DPR CG C 38.576 37.079 9.865 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 16 . 2313 . 1 1 3 DPR HA H 38.630 35.079 11.648 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 16 . 2314 . 1 1 3 DPR HB2 H 37.657 35.468 8.850 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2315 . 1 1 3 DPR HB3 H 39.262 35.006 9.511 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2316 . 1 1 3 DPR HD2 H 36.513 37.511 9.637 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 16 . 2317 . 1 1 3 DPR HD3 H 37.306 38.452 10.947 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 16 . 2318 . 1 1 3 DPR HG2 H 38.691 37.511 8.868 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 16 . 2319 . 1 1 3 DPR HG3 H 39.399 37.292 10.538 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 16 . 2320 . 1 1 3 DPR N N 36.916 36.375 11.354 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 16 . 2321 . 1 1 3 DPR O O 35.854 33.769 10.524 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 16 . 2322 . 1 1 4 . C C 38.239 30.432 11.427 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 16 . 2323 . 1 1 4 . CA C 37.174 31.517 11.494 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 16 . 2324 . 1 1 4 . CB C 36.315 31.345 12.749 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 16 . 2325 . 1 1 4 . H H 38.573 32.940 11.900 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 16 . 2326 . 1 1 4 . HA H 36.570 31.410 10.590 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 16 . 2327 . 1 1 4 . HB2 H 35.839 32.254 13.110 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2328 . 1 1 4 . HB3 H 36.912 30.913 13.552 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2329 . 1 1 4 . N N 37.635 32.888 11.538 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 16 . 2330 . 1 1 4 . O O 39.390 30.771 11.689 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 16 . 2331 . 1 1 4 . SG S 34.969 30.181 12.467 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 16 . 2332 . 1 1 5 . C C 38.719 27.486 12.591 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 16 . 2333 . 1 1 5 . CA C 38.812 28.037 11.171 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 16 . 2334 . 1 1 5 . CB C 38.429 26.984 10.146 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 16 . 2335 . 1 1 5 . CD C 38.806 26.480 7.671 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 16 . 2336 . 1 1 5 . CE C 39.512 25.146 7.893 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 16 . 2337 . 1 1 5 . CG C 38.973 27.479 8.801 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 16 . 2338 . 1 1 5 . H H 36.942 28.947 11.001 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 16 . 2339 . 1 1 5 . HA H 39.762 28.522 10.963 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 16 . 2340 . 1 1 5 . HB2 H 37.355 26.790 10.061 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2341 . 1 1 5 . HB3 H 38.987 26.069 10.338 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2342 . 1 1 5 . HD2 H 39.204 26.948 6.774 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 16 . 2343 . 1 1 5 . HD3 H 37.721 26.427 7.543 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 16 . 2344 . 1 1 5 . HE2 H 39.311 24.828 8.924 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 16 . 2345 . 1 1 5 . HE3 H 40.567 25.408 7.858 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 16 . 2346 . 1 1 5 . HG2 H 40.025 27.764 8.883 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 16 . 2347 . 1 1 5 . HG3 H 38.441 28.408 8.592 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 16 . 2348 . 1 1 5 . HZ1 H 39.311 24.326 5.916 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 16 . 2349 . 1 1 5 . HZ2 H 38.278 23.689 6.920 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 16 . 2350 . 1 1 5 . HZ3 H 39.816 23.346 7.031 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 16 . 2351 . 1 1 5 . N N 37.919 29.173 11.106 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 16 . 2352 . 1 1 5 . NZ N 39.193 24.122 6.893 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 16 . 2353 . 1 1 5 . O O 37.655 27.307 13.192 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 16 . 2354 . 1 1 6 ASP C C 39.850 28.084 15.584 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 16 . 2355 . 1 1 6 ASP CA C 40.072 26.971 14.569 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 16 . 2356 . 1 1 6 ASP CB C 41.464 26.370 14.740 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 16 . 2357 . 1 1 6 ASP CG C 41.733 25.179 13.836 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 16 . 2358 . 1 1 6 ASP H H 40.722 27.744 12.711 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 16 . 2359 . 1 1 6 ASP HA H 39.310 26.252 14.841 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 16 . 2360 . 1 1 6 ASP HB2 H 42.244 27.133 14.724 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2361 . 1 1 6 ASP HB3 H 41.577 26.069 15.788 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2362 . 1 1 6 ASP N N 39.899 27.427 13.203 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 16 . 2363 . 1 1 6 ASP O O 39.693 27.879 16.794 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 16 . 2364 . 1 1 6 ASP OD1 O 42.764 25.141 13.135 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 16 . 2365 . 1 1 6 ASP OD2 O 40.921 24.231 13.971 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 16 . 2366 . 1 1 7 SER C C 38.982 31.582 15.296 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 16 . 2367 . 1 1 7 SER CA C 39.887 30.518 15.905 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 16 . 2368 . 1 1 7 SER CB C 41.346 30.966 15.966 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 16 . 2369 . 1 1 7 SER H H 39.747 29.580 14.118 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 16 . 2370 . 1 1 7 SER HA H 39.484 30.358 16.905 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 16 . 2371 . 1 1 7 SER HB2 H 41.773 31.048 14.972 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2372 . 1 1 7 SER HB3 H 41.254 31.942 16.449 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2373 . 1 1 7 SER HG H 42.914 30.004 16.413 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 16 . 2374 . 1 1 7 SER N N 39.816 29.314 15.093 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 16 . 2375 . 1 1 7 SER O O 39.104 31.799 14.091 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 16 . 2376 . 1 1 7 SER OG O 42.035 30.051 16.792 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 16 . 2377 . 1 1 8 . C C 35.805 32.769 16.000 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 16 . 2378 . 1 1 8 . CA C 37.214 33.237 15.685 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 16 . 2379 . 1 1 8 . CB C 37.443 34.560 16.397 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 16 . 2380 . 1 1 8 . CD1 C 39.166 35.541 14.816 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 16 . 2381 . 1 1 8 . CD2 C 39.727 35.215 17.166 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 16 . 2382 . 1 1 8 . CE1 C 40.458 36.047 14.618 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 16 . 2383 . 1 1 8 . CE2 C 41.018 35.708 16.924 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 16 . 2384 . 1 1 8 . CG C 38.824 35.094 16.097 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 16 . 2385 . 1 1 8 . CZ C 41.418 36.160 15.645 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 16 . 2386 . 1 1 8 . H H 38.297 32.073 17.111 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 16 . 2387 . 1 1 8 . HA H 37.290 33.357 14.600 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 16 . 2388 . 1 1 8 . HB2 H 37.272 34.449 17.467 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2389 . 1 1 8 . HB3 H 36.775 35.358 16.060 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2390 . 1 1 8 . HD1 H 38.471 35.466 14.001 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 16 . 2391 . 1 1 8 . HD2 H 39.425 34.866 18.133 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 16 . 2392 . 1 1 8 . HE1 H 40.629 36.528 13.668 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 16 . 2393 . 1 1 8 . HE2 H 41.787 35.754 17.680 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 16 . 2394 . 1 1 8 . HH H 43.304 36.249 16.018 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 16 . 2395 . 1 1 8 . N N 38.192 32.259 16.123 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 16 . 2396 . 1 1 8 . O O 35.635 32.005 16.946 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 16 . 2397 . 1 1 8 . OH O 42.701 36.471 15.296 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 16 . 2398 . 1 1 9 . C C 32.412 34.010 15.420 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 16 . 2399 . 1 1 9 . CA C 33.436 32.896 15.268 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 16 . 2400 . 1 1 9 . CB C 33.255 32.028 14.035 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 16 . 2401 . 1 1 9 . H H 35.040 33.978 14.553 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 16 . 2402 . 1 1 9 . HA H 33.285 32.220 16.118 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 16 . 2403 . 1 1 9 . HB2 H 33.777 32.581 13.246 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2404 . 1 1 9 . HB3 H 32.198 32.021 13.755 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2405 . 1 1 9 . N N 34.821 33.320 15.282 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 16 . 2406 . 1 1 9 . O O 31.745 34.299 14.427 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 16 . 2407 . 1 1 9 . SG S 33.801 30.303 14.138 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 16 . 2408 . 1 1 10 PRO C C 31.089 36.736 15.954 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 16 . 2409 . 1 1 10 PRO CA C 31.212 35.574 16.937 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 16 . 2410 . 1 1 10 PRO CB C 31.504 36.151 18.322 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 16 . 2411 . 1 1 10 PRO CD C 33.078 34.489 17.774 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 16 . 2412 . 1 1 10 PRO CG C 32.220 34.949 18.954 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 16 . 2413 . 1 1 10 PRO HA H 30.278 35.021 16.882 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 16 . 2414 . 1 1 10 PRO HB2 H 32.216 36.968 18.304 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2415 . 1 1 10 PRO HB3 H 30.646 36.344 18.953 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2416 . 1 1 10 PRO HD2 H 34.033 34.997 17.671 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 16 . 2417 . 1 1 10 PRO HD3 H 33.278 33.422 17.885 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 16 . 2418 . 1 1 10 PRO HG2 H 32.852 35.365 19.740 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 16 . 2419 . 1 1 10 PRO HG3 H 31.525 34.212 19.347 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 16 . 2420 . 1 1 10 PRO N N 32.269 34.647 16.583 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 16 . 2421 . 1 1 10 PRO O O 32.122 37.245 15.551 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 16 . 2422 . 1 1 11 . C C 30.456 37.861 13.113 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 16 . 2423 . 1 1 11 . CA C 29.646 37.998 14.396 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 16 . 2424 . 1 1 11 . CB C 28.171 37.968 14.012 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 16 . 2425 . 1 1 11 . H H 29.070 36.553 15.791 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 16 . 2426 . 1 1 11 . HA H 29.879 39.004 14.738 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 16 . 2427 . 1 1 11 . HB2 H 27.728 36.981 13.960 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 16 . 2428 . 1 1 11 . HB3 H 28.051 38.358 12.994 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 16 . 2429 . 1 1 11 . HG H 26.584 38.272 15.035 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 16 . 2430 . 1 1 11 . N N 29.887 37.049 15.471 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 16 . 2431 . 1 1 11 . O O 30.602 38.899 12.471 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 16 . 2432 . 1 1 11 . OG O 27.462 38.666 15.015 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 17 . 2433 . 1 1 1 DAL C C 33.222 36.863 11.392 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 17 . 2434 . 1 1 1 DAL CA C 31.730 36.592 11.393 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 17 . 2435 . 1 1 1 DAL CB C 31.389 35.190 10.896 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 17 . 2436 . 1 1 1 DAL H1 H 30.687 35.915 13.110 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 17 . 2437 . 1 1 1 DAL HA H 31.292 37.385 10.785 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 17 . 2438 . 1 1 1 DAL HB1 H 30.335 34.930 11.042 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 17 . 2439 . 1 1 1 DAL HB2 H 31.920 34.412 11.455 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2440 . 1 1 1 DAL HB3 H 31.565 35.029 9.831 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2441 . 1 1 1 DAL N N 31.008 36.752 12.640 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 17 . 2442 . 1 1 1 DAL O O 33.926 36.972 10.386 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 17 . 2443 . 1 1 2 GLN C C 36.042 36.137 12.536 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 17 . 2444 . 1 1 2 GLN CA C 35.217 37.405 12.686 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 17 . 2445 . 1 1 2 GLN CB C 35.413 38.081 14.035 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 17 . 2446 . 1 1 2 GLN CD C 35.118 40.433 13.223 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 17 . 2447 . 1 1 2 GLN CG C 34.579 39.359 14.158 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 17 . 2448 . 1 1 2 GLN H H 33.366 36.803 13.447 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 17 . 2449 . 1 1 2 GLN HA H 35.415 38.190 11.950 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 17 . 2450 . 1 1 2 GLN HB2 H 35.017 37.506 14.875 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2451 . 1 1 2 GLN HB3 H 36.479 38.232 14.215 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2452 . 1 1 2 GLN HE21 H 36.943 40.426 14.079 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 17 . 2453 . 1 1 2 GLN HE22 H 36.736 41.431 12.614 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 17 . 2454 . 1 1 2 GLN HG2 H 33.552 39.135 13.857 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 17 . 2455 . 1 1 2 GLN HG3 H 34.619 39.709 15.187 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 17 . 2456 . 1 1 2 GLN N N 33.812 37.044 12.569 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 17 . 2457 . 1 1 2 GLN NE2 N 36.406 40.773 13.302 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 17 . 2458 . 1 1 2 GLN O O 35.680 35.080 13.048 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 17 . 2459 . 1 1 2 GLN OE1 O 34.433 40.896 12.311 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 17 . 2460 . 1 1 3 DPR C C 37.523 34.047 10.954 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 17 . 2461 . 1 1 3 DPR CA C 38.169 35.264 11.600 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 17 . 2462 . 1 1 3 DPR CB C 39.247 35.860 10.708 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 17 . 2463 . 1 1 3 DPR CD C 37.740 37.571 11.435 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 17 . 2464 . 1 1 3 DPR CG C 39.221 37.290 11.231 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 17 . 2465 . 1 1 3 DPR HA H 38.730 35.068 12.510 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 17 . 2466 . 1 1 3 DPR HB2 H 38.916 35.914 9.675 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2467 . 1 1 3 DPR HB3 H 40.264 35.467 10.808 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2468 . 1 1 3 DPR HD2 H 37.301 37.925 10.499 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 17 . 2469 . 1 1 3 DPR HD3 H 37.650 38.286 12.243 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 17 . 2470 . 1 1 3 DPR HG2 H 39.662 38.013 10.530 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 17 . 2471 . 1 1 3 DPR HG3 H 39.659 37.454 12.220 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 17 . 2472 . 1 1 3 DPR N N 37.197 36.306 11.877 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 17 . 2473 . 1 1 3 DPR O O 36.836 34.173 9.940 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 17 . 2474 . 1 1 4 . C C 38.084 30.439 11.284 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 17 . 2475 . 1 1 4 . CA C 37.124 31.617 11.234 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 17 . 2476 . 1 1 4 . CB C 35.961 31.370 12.195 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 17 . 2477 . 1 1 4 . H H 38.523 32.823 12.230 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 17 . 2478 . 1 1 4 . HA H 36.743 31.614 10.221 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 17 . 2479 . 1 1 4 . HB2 H 35.577 32.358 12.431 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2480 . 1 1 4 . HB3 H 36.386 30.931 13.102 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2481 . 1 1 4 . N N 37.822 32.861 11.503 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 17 . 2482 . 1 1 4 . O O 39.259 30.598 11.600 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 17 . 2483 . 1 1 4 . SG S 34.533 30.416 11.630 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 17 . 2484 . 1 1 5 . C C 38.383 27.963 12.936 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 17 . 2485 . 1 1 5 . CA C 38.145 27.990 11.430 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 17 . 2486 . 1 1 5 . CB C 37.306 26.792 10.992 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 17 . 2487 . 1 1 5 . CD C 36.930 25.348 8.895 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 17 . 2488 . 1 1 5 . CE C 37.500 23.995 9.295 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 17 . 2489 . 1 1 5 . CG C 37.439 26.665 9.475 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 17 . 2490 . 1 1 5 . H H 36.566 29.263 10.733 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 17 . 2491 . 1 1 5 . HA H 39.140 27.813 11.030 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 17 . 2492 . 1 1 5 . HB2 H 36.260 27.018 11.208 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2493 . 1 1 5 . HB3 H 37.766 25.935 11.481 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2494 . 1 1 5 . HD2 H 37.086 25.371 7.813 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 17 . 2495 . 1 1 5 . HD3 H 35.848 25.333 8.977 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 17 . 2496 . 1 1 5 . HE2 H 36.912 23.679 10.155 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 17 . 2497 . 1 1 5 . HE3 H 38.542 24.047 9.609 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 17 . 2498 . 1 1 5 . HG2 H 38.505 26.657 9.239 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 17 . 2499 . 1 1 5 . HG3 H 36.938 27.489 8.974 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 17 . 2500 . 1 1 5 . HZ1 H 37.762 23.336 7.302 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 17 . 2501 . 1 1 5 . HZ2 H 36.468 22.771 7.916 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 17 . 2502 . 1 1 5 . HZ3 H 37.906 22.202 8.473 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 17 . 2503 . 1 1 5 . N N 37.527 29.242 11.064 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 17 . 2504 . 1 1 5 . NZ N 37.399 23.033 8.196 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 17 . 2505 . 1 1 5 . O O 37.456 28.291 13.677 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 17 . 2506 . 1 1 6 ASP C C 39.746 28.695 15.645 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 17 . 2507 . 1 1 6 ASP CA C 39.715 27.384 14.872 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 17 . 2508 . 1 1 6 ASP CB C 40.798 26.407 15.321 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 17 . 2509 . 1 1 6 ASP CG C 40.855 25.050 14.638 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 17 . 2510 . 1 1 6 ASP H H 40.157 27.045 12.816 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 17 . 2511 . 1 1 6 ASP HA H 38.784 26.942 15.242 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 17 . 2512 . 1 1 6 ASP HB2 H 41.718 26.919 15.049 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2513 . 1 1 6 ASP HB3 H 40.735 26.277 16.405 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2514 . 1 1 6 ASP N N 39.535 27.529 13.443 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 17 . 2515 . 1 1 6 ASP O O 39.303 28.693 16.787 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 17 . 2516 . 1 1 6 ASP OD1 O 39.911 24.754 13.871 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 17 . 2517 . 1 1 6 ASP OD2 O 41.862 24.315 14.693 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 17 . 2518 . 1 1 7 SER C C 39.245 32.005 14.975 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 17 . 2519 . 1 1 7 SER CA C 40.283 31.047 15.543 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 17 . 2520 . 1 1 7 SER CB C 41.669 31.673 15.391 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 17 . 2521 . 1 1 7 SER H H 40.564 29.624 14.005 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 17 . 2522 . 1 1 7 SER HA H 40.172 31.023 16.632 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 17 . 2523 . 1 1 7 SER HB2 H 41.804 31.851 14.321 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2524 . 1 1 7 SER HB3 H 41.696 32.667 15.851 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2525 . 1 1 7 SER HG H 43.458 31.377 15.917 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 17 . 2526 . 1 1 7 SER N N 40.265 29.722 14.961 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 17 . 2527 . 1 1 7 SER O O 39.484 32.563 13.912 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 17 . 2528 . 1 1 7 SER OG O 42.657 30.843 15.939 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 17 . 2529 . 1 1 8 . C C 35.775 32.497 15.517 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 17 . 2530 . 1 1 8 . CA C 37.145 33.146 15.420 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 17 . 2531 . 1 1 8 . CB C 37.154 34.245 16.472 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 17 . 2532 . 1 1 8 . CD1 C 38.827 35.831 15.463 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 17 . 2533 . 1 1 8 . CD2 C 39.100 35.085 17.790 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 17 . 2534 . 1 1 8 . CE1 C 40.017 36.559 15.518 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 17 . 2535 . 1 1 8 . CE2 C 40.304 35.799 17.836 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 17 . 2536 . 1 1 8 . CG C 38.418 35.066 16.564 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 17 . 2537 . 1 1 8 . CZ C 40.671 36.631 16.761 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 17 . 2538 . 1 1 8 . H H 38.193 31.936 16.755 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 17 . 2539 . 1 1 8 . HA H 37.254 33.569 14.422 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 17 . 2540 . 1 1 8 . HB2 H 37.061 33.829 17.485 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2541 . 1 1 8 . HB3 H 36.377 34.965 16.217 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2542 . 1 1 8 . HD1 H 38.208 35.931 14.587 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 17 . 2543 . 1 1 8 . HD2 H 38.815 34.482 18.638 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 17 . 2544 . 1 1 8 . HE1 H 40.321 37.175 14.680 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 17 . 2545 . 1 1 8 . HE2 H 40.889 35.759 18.751 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 17 . 2546 . 1 1 8 . HH H 42.106 37.454 17.805 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 17 . 2547 . 1 1 8 . N N 38.207 32.234 15.787 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 17 . 2548 . 1 1 8 . O O 35.506 31.569 16.272 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 17 . 2549 . 1 1 8 . OH O 41.789 37.397 16.910 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 17 . 2550 . 1 1 9 . C C 32.595 33.896 15.172 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 17 . 2551 . 1 1 9 . CA C 33.427 32.640 14.924 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 17 . 2552 . 1 1 9 . CB C 33.001 31.892 13.667 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 17 . 2553 . 1 1 9 . H H 35.114 33.804 14.170 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 17 . 2554 . 1 1 9 . HA H 33.381 31.972 15.785 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 17 . 2555 . 1 1 9 . HB2 H 33.310 32.382 12.742 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2556 . 1 1 9 . HB3 H 31.913 31.768 13.693 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2557 . 1 1 9 . N N 34.820 33.038 14.760 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 17 . 2558 . 1 1 9 . O O 31.989 34.389 14.220 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 17 . 2559 . 1 1 9 . SG S 33.721 30.246 13.496 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 17 . 2560 . 1 1 10 PRO C C 31.352 36.568 15.890 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 17 . 2561 . 1 1 10 PRO CA C 31.466 35.360 16.818 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 17 . 2562 . 1 1 10 PRO CB C 31.719 35.679 18.291 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 17 . 2563 . 1 1 10 PRO CD C 33.288 34.028 17.537 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 17 . 2564 . 1 1 10 PRO CG C 32.522 34.480 18.771 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 17 . 2565 . 1 1 10 PRO HA H 30.549 34.776 16.833 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 17 . 2566 . 1 1 10 PRO HB2 H 32.324 36.585 18.359 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2567 . 1 1 10 PRO HB3 H 30.809 35.857 18.855 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2568 . 1 1 10 PRO HD2 H 34.271 34.467 17.359 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 17 . 2569 . 1 1 10 PRO HD3 H 33.468 32.952 17.504 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 17 . 2570 . 1 1 10 PRO HG2 H 33.240 34.680 19.569 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 17 . 2571 . 1 1 10 PRO HG3 H 31.876 33.672 19.123 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 17 . 2572 . 1 1 10 PRO N N 32.508 34.445 16.382 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 17 . 2573 . 1 1 10 PRO O O 32.318 37.261 15.598 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 17 . 2574 . 1 1 11 . C C 30.566 37.888 13.198 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 17 . 2575 . 1 1 11 . CA C 29.750 37.833 14.480 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 17 . 2576 . 1 1 11 . CB C 28.250 37.757 14.214 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 17 . 2577 . 1 1 11 . H H 29.500 35.991 15.571 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 17 . 2578 . 1 1 11 . HA H 29.978 38.734 15.050 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 17 . 2579 . 1 1 11 . HB2 H 28.005 36.755 13.864 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 17 . 2580 . 1 1 11 . HB3 H 27.963 38.589 13.567 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 17 . 2581 . 1 1 11 . HG H 26.674 37.509 15.326 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 17 . 2582 . 1 1 11 . N N 30.150 36.736 15.344 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 17 . 2583 . 1 1 11 . O O 30.711 38.988 12.676 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 17 . 2584 . 1 1 11 . OG O 27.542 37.907 15.423 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 18 . 2585 . 1 1 1 DAL C C 32.842 36.802 11.220 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 18 . 2586 . 1 1 1 DAL CA C 31.377 36.398 11.237 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 18 . 2587 . 1 1 1 DAL CB C 31.039 34.921 11.024 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 18 . 2588 . 1 1 1 DAL H1 H 30.759 35.897 13.180 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 18 . 2589 . 1 1 1 DAL HA H 30.890 36.941 10.434 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 18 . 2590 . 1 1 1 DAL HB1 H 31.671 34.301 11.664 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 18 . 2591 . 1 1 1 DAL HB2 H 31.228 34.606 10.000 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2592 . 1 1 1 DAL HB3 H 30.007 34.641 11.232 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2593 . 1 1 1 DAL N N 30.735 36.648 12.514 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 18 . 2594 . 1 1 1 DAL O O 33.363 37.004 10.127 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 18 . 2595 . 1 1 2 GLN C C 35.787 36.215 12.545 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 18 . 2596 . 1 1 2 GLN CA C 34.883 37.435 12.510 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 18 . 2597 . 1 1 2 GLN CB C 35.082 38.336 13.724 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 18 . 2598 . 1 1 2 GLN CD C 34.152 40.137 15.258 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 18 . 2599 . 1 1 2 GLN CG C 34.150 39.537 13.861 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 18 . 2600 . 1 1 2 GLN H H 33.017 36.732 13.191 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 18 . 2601 . 1 1 2 GLN HA H 35.102 37.915 11.549 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 18 . 2602 . 1 1 2 GLN HB2 H 35.000 37.760 14.654 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2603 . 1 1 2 GLN HB3 H 36.125 38.652 13.709 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2604 . 1 1 2 GLN HE21 H 32.491 39.219 15.830 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 18 . 2605 . 1 1 2 GLN HE22 H 33.254 40.205 17.060 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 18 . 2606 . 1 1 2 GLN HG2 H 34.496 40.260 13.120 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 18 . 2607 . 1 1 2 GLN HG3 H 33.099 39.299 13.750 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 18 . 2608 . 1 1 2 GLN N N 33.527 36.967 12.352 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 18 . 2609 . 1 1 2 GLN NE2 N 33.129 39.958 16.097 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 18 . 2610 . 1 1 2 GLN O O 35.415 35.210 13.144 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 18 . 2611 . 1 1 2 GLN OE1 O 34.995 40.949 15.649 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 18 . 2612 . 1 1 3 DPR C C 37.338 33.814 11.056 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 18 . 2613 . 1 1 3 DPR CA C 37.769 34.984 11.921 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 18 . 2614 . 1 1 3 DPR CB C 39.242 35.307 11.669 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 18 . 2615 . 1 1 3 DPR CD C 37.662 37.243 11.249 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 18 . 2616 . 1 1 3 DPR CG C 39.046 36.648 10.981 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 18 . 2617 . 1 1 3 DPR HA H 37.774 34.610 12.952 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 18 . 2618 . 1 1 3 DPR HB2 H 39.792 34.677 10.966 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2619 . 1 1 3 DPR HB3 H 39.786 35.619 12.560 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2620 . 1 1 3 DPR HD2 H 37.194 37.561 10.314 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 18 . 2621 . 1 1 3 DPR HD3 H 37.656 38.153 11.849 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 18 . 2622 . 1 1 3 DPR HG2 H 39.109 36.367 9.930 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 18 . 2623 . 1 1 3 DPR HG3 H 39.862 37.311 11.286 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 18 . 2624 . 1 1 3 DPR N N 36.922 36.155 11.843 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 18 . 2625 . 1 1 3 DPR O O 37.064 34.038 9.880 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 18 . 2626 . 1 1 4 . C C 38.017 30.206 11.252 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 18 . 2627 . 1 1 4 . CA C 37.203 31.405 10.788 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 18 . 2628 . 1 1 4 . CB C 35.727 31.029 10.783 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 18 . 2629 . 1 1 4 . H H 37.750 32.467 12.534 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 18 . 2630 . 1 1 4 . HA H 37.438 31.590 9.738 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 18 . 2631 . 1 1 4 . HB2 H 35.548 30.331 9.978 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2632 . 1 1 4 . HB3 H 35.147 31.937 10.625 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2633 . 1 1 4 . N N 37.417 32.597 11.593 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 18 . 2634 . 1 1 4 . O O 38.819 30.371 12.167 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 18 . 2635 . 1 1 4 . SG S 35.039 30.242 12.261 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 18 . 2636 . 1 1 5 . C C 38.456 27.470 12.226 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 18 . 2637 . 1 1 5 . CA C 38.780 27.927 10.810 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 18 . 2638 . 1 1 5 . CB C 38.598 26.756 9.843 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 18 . 2639 . 1 1 5 . CD C 39.567 24.562 8.980 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 18 . 2640 . 1 1 5 . CE C 39.322 23.324 9.849 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 18 . 2641 . 1 1 5 . CG C 39.797 25.819 9.824 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 18 . 2642 . 1 1 5 . H H 37.574 29.163 9.576 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 18 . 2643 . 1 1 5 . HA H 39.852 28.063 10.897 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 18 . 2644 . 1 1 5 . HB2 H 38.526 27.128 8.823 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2645 . 1 1 5 . HB3 H 37.699 26.203 10.133 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2646 . 1 1 5 . HD2 H 40.409 24.403 8.315 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 18 . 2647 . 1 1 5 . HD3 H 38.626 24.643 8.436 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 18 . 2648 . 1 1 5 . HE2 H 39.014 22.544 9.152 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 18 . 2649 . 1 1 5 . HE3 H 38.482 23.507 10.521 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 18 . 2650 . 1 1 5 . HG2 H 40.073 25.543 10.848 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 18 . 2651 . 1 1 5 . HG3 H 40.610 26.386 9.368 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 18 . 2652 . 1 1 5 . HZ1 H 41.134 23.605 10.789 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 18 . 2653 . 1 1 5 . HZ2 H 41.125 22.214 10.074 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 18 . 2654 . 1 1 5 . HZ3 H 40.215 22.377 11.409 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 18 . 2655 . 1 1 5 . N N 37.994 29.103 10.499 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 18 . 2656 . 1 1 5 . NZ N 40.509 22.849 10.563 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 18 . 2657 . 1 1 5 . O O 37.405 26.927 12.543 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 18 . 2658 . 1 1 6 ASP C C 39.402 28.239 15.607 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 18 . 2659 . 1 1 6 ASP CA C 39.444 27.179 14.507 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 18 . 2660 . 1 1 6 ASP CB C 40.631 26.251 14.767 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 18 . 2661 . 1 1 6 ASP CG C 42.022 26.847 14.586 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 18 . 2662 . 1 1 6 ASP H H 40.325 27.972 12.828 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 18 . 2663 . 1 1 6 ASP HA H 38.610 26.537 14.779 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 18 . 2664 . 1 1 6 ASP HB2 H 40.563 25.839 15.775 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2665 . 1 1 6 ASP HB3 H 40.537 25.438 14.047 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2666 . 1 1 6 ASP N N 39.428 27.624 13.129 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 18 . 2667 . 1 1 6 ASP O O 39.054 28.037 16.770 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 18 . 2668 . 1 1 6 ASP OD1 O 42.332 27.914 15.166 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 18 . 2669 . 1 1 6 ASP OD2 O 42.789 26.369 13.727 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 18 . 2670 . 1 1 7 SER C C 39.092 31.757 15.516 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 18 . 2671 . 1 1 7 SER CA C 39.978 30.608 15.960 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 18 . 2672 . 1 1 7 SER CB C 41.438 30.992 15.756 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 18 . 2673 . 1 1 7 SER H H 40.066 29.499 14.194 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 18 . 2674 . 1 1 7 SER HA H 39.786 30.446 17.024 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 18 . 2675 . 1 1 7 SER HB2 H 41.660 31.125 14.697 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2676 . 1 1 7 SER HB3 H 41.491 31.947 16.266 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2677 . 1 1 7 SER HG H 42.218 29.272 15.979 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 18 . 2678 . 1 1 7 SER N N 39.699 29.451 15.128 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 18 . 2679 . 1 1 7 SER O O 39.042 32.223 14.379 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 18 . 2680 . 1 1 7 SER OG O 42.336 30.116 16.411 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 18 . 2681 . 1 1 8 . C C 36.197 33.299 16.476 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 18 . 2682 . 1 1 8 . CA C 37.684 33.594 16.340 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 18 . 2683 . 1 1 8 . CB C 38.125 34.664 17.333 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 18 . 2684 . 1 1 8 . CD1 C 38.954 36.577 15.919 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 18 . 2685 . 1 1 8 . CD2 C 37.088 36.989 17.370 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 18 . 2686 . 1 1 8 . CE1 C 38.907 37.921 15.512 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 18 . 2687 . 1 1 8 . CE2 C 37.085 38.354 17.041 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 18 . 2688 . 1 1 8 . CG C 38.020 36.093 16.837 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 18 . 2689 . 1 1 8 . CZ C 37.988 38.835 16.070 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 18 . 2690 . 1 1 8 . H H 38.502 31.929 17.414 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 18 . 2691 . 1 1 8 . HA H 37.937 33.935 15.336 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 18 . 2692 . 1 1 8 . HB2 H 39.173 34.477 17.582 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2693 . 1 1 8 . HB3 H 37.497 34.444 18.198 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2694 . 1 1 8 . HD1 H 39.759 36.019 15.463 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 18 . 2695 . 1 1 8 . HD2 H 36.411 36.611 18.114 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 18 . 2696 . 1 1 8 . HE1 H 39.646 38.286 14.813 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 18 . 2697 . 1 1 8 . HE2 H 36.333 38.974 17.502 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 18 . 2698 . 1 1 8 . HH H 37.398 40.762 16.146 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 18 . 2699 . 1 1 8 . N N 38.413 32.346 16.500 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 18 . 2700 . 1 1 8 . O O 35.796 32.677 17.453 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 18 . 2701 . 1 1 8 . OH O 38.021 40.152 15.736 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 18 . 2702 . 1 1 9 . C C 32.959 34.258 15.372 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 18 . 2703 . 1 1 9 . CA C 34.043 33.193 15.314 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 18 . 2704 . 1 1 9 . CB C 34.069 32.378 14.024 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 18 . 2705 . 1 1 9 . H H 35.736 34.375 14.842 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 18 . 2706 . 1 1 9 . HA H 33.736 32.501 16.101 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 18 . 2707 . 1 1 9 . HB2 H 34.115 33.103 13.201 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2708 . 1 1 9 . HB3 H 33.152 31.817 13.844 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2709 . 1 1 9 . N N 35.376 33.714 15.514 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 18 . 2710 . 1 1 9 . O O 32.327 34.525 14.349 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 18 . 2711 . 1 1 9 . SG S 35.521 31.305 13.943 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 18 . 2712 . 1 1 10 PRO C C 31.214 36.678 15.604 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 18 . 2713 . 1 1 10 PRO CA C 31.497 35.712 16.738 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 18 . 2714 . 1 1 10 PRO CB C 31.653 36.476 18.051 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 18 . 2715 . 1 1 10 PRO CD C 33.578 35.039 17.636 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 18 . 2716 . 1 1 10 PRO CG C 33.135 36.292 18.391 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 18 . 2717 . 1 1 10 PRO HA H 30.638 35.050 16.862 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 18 . 2718 . 1 1 10 PRO HB2 H 31.384 37.537 17.939 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2719 . 1 1 10 PRO HB3 H 30.947 36.072 18.776 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2720 . 1 1 10 PRO HD2 H 34.591 35.280 17.301 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 18 . 2721 . 1 1 10 PRO HD3 H 33.479 34.156 18.266 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 18 . 2722 . 1 1 10 PRO HG2 H 33.744 37.164 18.169 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 18 . 2723 . 1 1 10 PRO HG3 H 33.245 36.154 19.459 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 18 . 2724 . 1 1 10 PRO N N 32.720 34.975 16.480 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 18 . 2725 . 1 1 10 PRO O O 32.086 37.445 15.206 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 18 . 2726 . 1 1 11 . C C 30.117 37.772 12.878 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 18 . 2727 . 1 1 11 . CA C 29.511 37.845 14.276 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 18 . 2728 . 1 1 11 . CB C 27.994 37.969 14.275 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 18 . 2729 . 1 1 11 . H H 29.361 35.963 15.263 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 18 . 2730 . 1 1 11 . HA H 29.977 38.740 14.682 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 18 . 2731 . 1 1 11 . HB2 H 27.517 37.304 13.552 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 18 . 2732 . 1 1 11 . HB3 H 27.782 38.964 13.888 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 18 . 2733 . 1 1 11 . HG H 27.612 38.962 15.814 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 18 . 2734 . 1 1 11 . N N 29.983 36.739 15.093 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 18 . 2735 . 1 1 11 . O O 30.036 38.733 12.114 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 18 . 2736 . 1 1 11 . OG O 27.508 38.029 15.593 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 19 . 2737 . 1 1 1 DAL C C 33.191 35.723 11.572 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 19 . 2738 . 1 1 1 DAL CA C 31.686 35.571 11.565 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 19 . 2739 . 1 1 1 DAL CB C 31.259 34.142 11.239 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 19 . 2740 . 1 1 1 DAL H1 H 30.973 35.437 13.588 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 19 . 2741 . 1 1 1 DAL HA H 31.459 36.228 10.719 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 19 . 2742 . 1 1 1 DAL HB1 H 31.579 33.444 12.013 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 19 . 2743 . 1 1 1 DAL HB2 H 31.697 33.860 10.286 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2744 . 1 1 1 DAL HB3 H 30.173 33.997 11.167 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2745 . 1 1 1 DAL N N 31.026 36.036 12.773 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 19 . 2746 . 1 1 1 DAL O O 33.843 35.356 10.598 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 19 . 2747 . 1 1 2 GLN C C 36.162 36.017 12.653 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 19 . 2748 . 1 1 2 GLN CA C 35.062 37.042 12.465 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 19 . 2749 . 1 1 2 GLN CB C 35.297 38.184 13.448 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 19 . 2750 . 1 1 2 GLN CD C 34.311 40.251 14.447 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 19 . 2751 . 1 1 2 GLN CG C 34.312 39.330 13.243 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 19 . 2752 . 1 1 2 GLN H H 33.242 36.466 13.432 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 19 . 2753 . 1 1 2 GLN HA H 35.237 37.421 11.460 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 19 . 2754 . 1 1 2 GLN HB2 H 35.280 37.745 14.453 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2755 . 1 1 2 GLN HB3 H 36.238 38.702 13.294 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2756 . 1 1 2 GLN HE21 H 32.956 39.098 15.410 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 19 . 2757 . 1 1 2 GLN HE22 H 33.336 40.486 16.302 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 19 . 2758 . 1 1 2 GLN HG2 H 34.370 39.892 12.308 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 19 . 2759 . 1 1 2 GLN HG3 H 33.298 38.929 13.265 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 19 . 2760 . 1 1 2 GLN N N 33.781 36.377 12.575 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 19 . 2761 . 1 1 2 GLN NE2 N 33.477 39.960 15.448 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 19 . 2762 . 1 1 2 GLN O O 35.871 35.026 13.318 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 19 . 2763 . 1 1 2 GLN OE1 O 35.040 41.231 14.543 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 19 . 2764 . 1 1 3 DPR C C 37.532 33.945 10.791 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 19 . 2765 . 1 1 3 DPR CA C 38.169 35.000 11.680 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 19 . 2766 . 1 1 3 DPR CB C 39.524 35.534 11.229 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 19 . 2767 . 1 1 3 DPR CD C 37.927 37.363 11.548 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 19 . 2768 . 1 1 3 DPR CG C 39.214 36.963 10.811 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 19 . 2769 . 1 1 3 DPR HA H 38.357 34.497 12.630 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 19 . 2770 . 1 1 3 DPR HB2 H 39.926 34.944 10.402 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2771 . 1 1 3 DPR HB3 H 40.191 35.513 12.081 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2772 . 1 1 3 DPR HD2 H 37.280 37.869 10.831 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 19 . 2773 . 1 1 3 DPR HD3 H 38.280 37.970 12.380 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 19 . 2774 . 1 1 3 DPR HG2 H 38.926 36.976 9.761 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 19 . 2775 . 1 1 3 DPR HG3 H 40.116 37.566 10.956 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 19 . 2776 . 1 1 3 DPR N N 37.314 36.129 11.982 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 19 . 2777 . 1 1 3 DPR O O 37.119 34.204 9.658 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 19 . 2778 . 1 1 4 . C C 37.891 30.488 11.096 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 19 . 2779 . 1 1 4 . CA C 36.897 31.552 10.663 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 19 . 2780 . 1 1 4 . CB C 35.409 31.228 10.779 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 19 . 2781 . 1 1 4 . H H 37.615 32.622 12.285 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 19 . 2782 . 1 1 4 . HA H 37.016 31.685 9.586 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 19 . 2783 . 1 1 4 . HB2 H 35.065 30.702 9.886 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2784 . 1 1 4 . HB3 H 34.898 32.187 10.737 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2785 . 1 1 4 . N N 37.232 32.777 11.363 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 19 . 2786 . 1 1 4 . O O 38.325 30.555 12.246 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 19 . 2787 . 1 1 4 . SG S 34.974 30.222 12.218 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 19 . 2788 . 1 1 5 . C C 38.489 27.690 11.898 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 19 . 2789 . 1 1 5 . CA C 39.132 28.402 10.720 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 19 . 2790 . 1 1 5 . CB C 39.390 27.376 9.616 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 19 . 2791 . 1 1 5 . CD C 40.566 26.759 7.454 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 19 . 2792 . 1 1 5 . CE C 41.849 26.801 6.627 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 19 . 2793 . 1 1 5 . CG C 40.489 27.737 8.630 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 19 . 2794 . 1 1 5 . H H 37.903 29.528 9.361 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 19 . 2795 . 1 1 5 . HA H 40.023 28.823 11.176 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 19 . 2796 . 1 1 5 . HB2 H 38.404 27.326 9.153 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2797 . 1 1 5 . HB3 H 39.645 26.425 10.083 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2798 . 1 1 5 . HD2 H 39.771 27.138 6.812 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 19 . 2799 . 1 1 5 . HD3 H 40.464 25.739 7.833 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 19 . 2800 . 1 1 5 . HE2 H 41.789 26.144 5.757 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 19 . 2801 . 1 1 5 . HE3 H 42.686 26.431 7.212 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 19 . 2802 . 1 1 5 . HG2 H 41.393 27.679 9.239 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 19 . 2803 . 1 1 5 . HG3 H 40.281 28.777 8.362 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 19 . 2804 . 1 1 5 . HZ1 H 42.641 28.695 6.911 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 19 . 2805 . 1 1 5 . HZ2 H 41.227 28.684 5.946 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 19 . 2806 . 1 1 5 . HZ3 H 42.681 28.135 5.441 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 19 . 2807 . 1 1 5 . N N 38.275 29.496 10.301 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 19 . 2808 . 1 1 5 . NZ N 42.067 28.202 6.238 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 19 . 2809 . 1 1 5 . O O 37.438 27.059 11.788 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 19 . 2810 . 1 1 6 ASP C C 38.728 28.598 15.402 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 19 . 2811 . 1 1 6 ASP CA C 38.622 27.486 14.374 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 19 . 2812 . 1 1 6 ASP CB C 39.434 26.272 14.829 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 19 . 2813 . 1 1 6 ASP CG C 40.932 26.480 14.688 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 19 . 2814 . 1 1 6 ASP H H 40.088 28.154 13.076 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 19 . 2815 . 1 1 6 ASP HA H 37.583 27.168 14.342 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 19 . 2816 . 1 1 6 ASP HB2 H 39.249 26.058 15.885 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2817 . 1 1 6 ASP HB3 H 39.131 25.401 14.253 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2818 . 1 1 6 ASP N N 39.129 27.839 13.067 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 19 . 2819 . 1 1 6 ASP O O 38.561 28.332 16.594 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 19 . 2820 . 1 1 6 ASP OD1 O 41.617 27.491 14.446 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 19 . 2821 . 1 1 6 ASP OD2 O 41.592 25.415 14.696 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 19 . 2822 . 1 1 7 SER C C 39.126 32.189 15.505 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 19 . 2823 . 1 1 7 SER CA C 39.667 30.816 15.864 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 19 . 2824 . 1 1 7 SER CB C 41.190 30.804 15.834 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 19 . 2825 . 1 1 7 SER H H 39.062 29.973 13.984 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 19 . 2826 . 1 1 7 SER HA H 39.355 30.554 16.885 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 19 . 2827 . 1 1 7 SER HB2 H 41.572 31.196 14.891 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2828 . 1 1 7 SER HB3 H 41.547 31.451 16.635 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2829 . 1 1 7 SER HG H 41.815 28.975 15.350 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 19 . 2830 . 1 1 7 SER N N 39.121 29.805 14.982 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 19 . 2831 . 1 1 7 SER O O 39.004 32.589 14.354 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 19 . 2832 . 1 1 7 SER OG O 41.762 29.548 16.124 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 19 . 2833 . 1 1 8 . C C 36.216 33.354 16.667 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 19 . 2834 . 1 1 8 . CA C 37.632 33.880 16.487 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 19 . 2835 . 1 1 8 . CB C 37.923 35.027 17.451 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 19 . 2836 . 1 1 8 . CD1 C 38.702 36.686 15.792 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 19 . 2837 . 1 1 8 . CD2 C 36.746 37.263 17.125 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 19 . 2838 . 1 1 8 . CE1 C 38.766 38.022 15.368 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 19 . 2839 . 1 1 8 . CE2 C 36.749 38.568 16.629 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 19 . 2840 . 1 1 8 . CG C 37.752 36.365 16.775 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 19 . 2841 . 1 1 8 . CZ C 37.782 38.963 15.749 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 19 . 2842 . 1 1 8 . H H 38.702 32.340 17.461 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 19 . 2843 . 1 1 8 . HA H 37.657 34.292 15.480 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 19 . 2844 . 1 1 8 . HB2 H 38.966 34.968 17.769 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2845 . 1 1 8 . HB3 H 37.367 34.891 18.375 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2846 . 1 1 8 . HD1 H 39.403 35.957 15.417 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 19 . 2847 . 1 1 8 . HD2 H 35.988 36.996 17.838 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 19 . 2848 . 1 1 8 . HE1 H 39.533 38.336 14.691 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 19 . 2849 . 1 1 8 . HE2 H 35.977 39.261 16.943 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 19 . 2850 . 1 1 8 . HH H 36.933 40.597 15.289 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 19 . 2851 . 1 1 8 . N N 38.608 32.812 16.568 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 19 . 2852 . 1 1 8 . O O 36.036 32.653 17.672 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 19 . 2853 . 1 1 8 . OH O 37.815 40.219 15.239 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 19 . 2854 . 1 1 9 . C C 32.854 34.122 15.626 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 19 . 2855 . 1 1 9 . CA C 33.958 33.085 15.619 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 19 . 2856 . 1 1 9 . CB C 33.968 32.268 14.318 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 19 . 2857 . 1 1 9 . H H 35.619 34.239 15.023 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 19 . 2858 . 1 1 9 . HA H 33.765 32.345 16.401 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 19 . 2859 . 1 1 9 . HB2 H 33.962 32.939 13.471 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2860 . 1 1 9 . HB3 H 33.046 31.694 14.223 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2861 . 1 1 9 . N N 35.277 33.653 15.772 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 19 . 2862 . 1 1 9 . O O 32.127 34.226 14.635 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 19 . 2863 . 1 1 9 . SG S 35.434 31.287 13.900 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 19 . 2864 . 1 1 10 PRO C C 31.304 36.792 15.827 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 19 . 2865 . 1 1 10 PRO CA C 31.459 35.693 16.866 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 19 . 2866 . 1 1 10 PRO CB C 31.671 36.394 18.202 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 19 . 2867 . 1 1 10 PRO CD C 33.349 34.788 17.973 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 19 . 2868 . 1 1 10 PRO CG C 32.416 35.364 19.040 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 19 . 2869 . 1 1 10 PRO HA H 30.519 35.141 16.965 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 19 . 2870 . 1 1 10 PRO HB2 H 32.162 37.364 18.122 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2871 . 1 1 10 PRO HB3 H 30.727 36.696 18.645 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2872 . 1 1 10 PRO HD2 H 34.314 35.286 17.931 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 19 . 2873 . 1 1 10 PRO HD3 H 33.554 33.747 18.254 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 19 . 2874 . 1 1 10 PRO HG2 H 33.133 35.745 19.764 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 19 . 2875 . 1 1 10 PRO HG3 H 31.692 34.659 19.453 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 19 . 2876 . 1 1 10 PRO N N 32.620 34.844 16.716 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 19 . 2877 . 1 1 10 PRO O O 32.291 37.430 15.485 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 19 . 2878 . 1 1 11 . C C 30.468 37.246 12.777 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 19 . 2879 . 1 1 11 . CA C 29.887 37.754 14.097 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 19 . 2880 . 1 1 11 . CB C 28.417 38.154 14.012 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 19 . 2881 . 1 1 11 . H H 29.323 36.402 15.649 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 19 . 2882 . 1 1 11 . HA H 30.457 38.673 14.222 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 19 . 2883 . 1 1 11 . HB2 H 27.953 37.191 13.809 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 19 . 2884 . 1 1 11 . HB3 H 28.189 38.824 13.195 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 19 . 2885 . 1 1 11 . HG H 26.918 38.787 15.132 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 19 . 2886 . 1 1 11 . N N 30.104 36.915 15.256 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 19 . 2887 . 1 1 11 . O O 30.311 37.904 11.755 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 19 . 2888 . 1 1 11 . OG O 27.878 38.735 15.182 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 1 . 20 . 2889 . 1 1 1 DAL C C 33.180 37.044 11.408 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . c30361_6bes 1 . 20 . 2890 . 1 1 1 DAL CA C 31.656 36.955 11.374 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . c30361_6bes 1 . 20 . 2891 . 1 1 1 DAL CB C 31.137 35.653 10.768 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . c30361_6bes 1 . 20 . 2892 . 1 1 1 DAL H1 H 31.445 36.482 13.435 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H1 . . . . . . . . . c30361_6bes 1 . 20 . 2893 . 1 1 1 DAL HA H 31.309 37.748 10.717 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . c30361_6bes 1 . 20 . 2894 . 1 1 1 DAL HB1 H 30.061 35.740 10.605 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . c30361_6bes 1 . 20 . 2895 . 1 1 1 DAL HB2 H 31.336 34.890 11.525 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . c30361_6bes 1 . 20 . 2896 . 1 1 1 DAL HB3 H 31.719 35.653 9.847 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . c30361_6bes 1 . 20 . 2897 . 1 1 1 DAL N N 31.120 37.108 12.704 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . c30361_6bes 1 . 20 . 2898 . 1 1 1 DAL O O 33.714 37.062 10.307 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . c30361_6bes 1 . 20 . 2899 . 1 1 2 GLN C C 35.936 36.068 12.345 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30361_6bes 1 . 20 . 2900 . 1 1 2 GLN CA C 35.251 37.400 12.620 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30361_6bes 1 . 20 . 2901 . 1 1 2 GLN CB C 35.647 37.935 13.992 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30361_6bes 1 . 20 . 2902 . 1 1 2 GLN CD C 35.771 40.184 15.401 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30361_6bes 1 . 20 . 2903 . 1 1 2 GLN CG C 35.478 39.442 14.100 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30361_6bes 1 . 20 . 2904 . 1 1 2 GLN H H 33.356 36.802 13.359 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30361_6bes 1 . 20 . 2905 . 1 1 2 GLN HA H 35.505 38.119 11.836 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30361_6bes 1 . 20 . 2906 . 1 1 2 GLN HB2 H 35.069 37.402 14.753 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30361_6bes 1 . 20 . 2907 . 1 1 2 GLN HB3 H 36.653 37.571 14.231 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30361_6bes 1 . 20 . 2908 . 1 1 2 GLN HE21 H 34.701 41.809 14.842 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30361_6bes 1 . 20 . 2909 . 1 1 2 GLN HE22 H 35.569 42.054 16.295 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30361_6bes 1 . 20 . 2910 . 1 1 2 GLN HG2 H 36.191 39.933 13.446 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30361_6bes 1 . 20 . 2911 . 1 1 2 GLN HG3 H 34.505 39.666 13.656 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30361_6bes 1 . 20 . 2912 . 1 1 2 GLN N N 33.808 37.227 12.567 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30361_6bes 1 . 20 . 2913 . 1 1 2 GLN NE2 N 35.372 41.450 15.512 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30361_6bes 1 . 20 . 2914 . 1 1 2 GLN O O 35.378 35.084 12.830 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30361_6bes 1 . 20 . 2915 . 1 1 2 GLN OE1 O 36.356 39.704 16.370 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30361_6bes 1 . 20 . 2916 . 1 1 3 DPR C C 37.065 33.458 11.097 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30361_6bes 1 . 20 . 2917 . 1 1 3 DPR CA C 37.839 34.622 11.709 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30361_6bes 1 . 20 . 2918 . 1 1 3 DPR CB C 39.192 34.883 11.061 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30361_6bes 1 . 20 . 2919 . 1 1 3 DPR CD C 37.929 36.875 11.107 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30361_6bes 1 . 20 . 2920 . 1 1 3 DPR CG C 39.374 36.390 11.264 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30361_6bes 1 . 20 . 2921 . 1 1 3 DPR HA H 38.075 34.374 12.746 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30361_6bes 1 . 20 . 2922 . 1 1 3 DPR HB2 H 39.085 34.680 9.999 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30361_6bes 1 . 20 . 2923 . 1 1 3 DPR HB3 H 40.003 34.292 11.470 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30361_6bes 1 . 20 . 2924 . 1 1 3 DPR HD2 H 37.643 36.971 10.061 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30361_6bes 1 . 20 . 2925 . 1 1 3 DPR HD3 H 37.832 37.832 11.607 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30361_6bes 1 . 20 . 2926 . 1 1 3 DPR HG2 H 40.061 36.818 10.538 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30361_6bes 1 . 20 . 2927 . 1 1 3 DPR HG3 H 39.805 36.526 12.255 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30361_6bes 1 . 20 . 2928 . 1 1 3 DPR N N 37.091 35.862 11.712 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30361_6bes 1 . 20 . 2929 . 1 1 3 DPR O O 36.468 33.634 10.033 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30361_6bes 1 . 20 . 2930 . 1 1 4 . C C 38.098 30.065 11.309 . . . 1.0 . . . . . . . . . . . . A . 4 DCY C . . . . . . . . . c30361_6bes 1 . 20 . 2931 . 1 1 4 . CA C 36.984 31.024 10.943 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CA . . . . . . . . . c30361_6bes 1 . 20 . 2932 . 1 1 4 . CB C 35.585 30.452 11.175 . . . 1.0 . . . . . . . . . . . . A . 4 DCY CB . . . . . . . . . c30361_6bes 1 . 20 . 2933 . 1 1 4 . H H 37.682 32.134 12.535 . . . 1.0 . . . . . . . . . . . . A . 4 DCY H . . . . . . . . . c30361_6bes 1 . 20 . 2934 . 1 1 4 . HA H 37.128 31.248 9.890 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HA . . . . . . . . . c30361_6bes 1 . 20 . 2935 . 1 1 4 . HB2 H 35.332 29.876 10.280 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB2 . . . . . . . . . c30361_6bes 1 . 20 . 2936 . 1 1 4 . HB3 H 34.934 31.322 11.237 . . . 1.0 . . . . . . . . . . . . A . 4 DCY HB3 . . . . . . . . . c30361_6bes 1 . 20 . 2937 . 1 1 4 . N N 37.156 32.262 11.681 . . . 1.0 . . . . . . . . . . . . A . 4 DCY N . . . . . . . . . c30361_6bes 1 . 20 . 2938 . 1 1 4 . O O 38.869 30.338 12.216 . . . 1.0 . . . . . . . . . . . . A . 4 DCY O . . . . . . . . . c30361_6bes 1 . 20 . 2939 . 1 1 4 . SG S 35.303 29.425 12.627 . . . 1.0 . . . . . . . . . . . . A . 4 DCY SG . . . . . . . . . c30361_6bes 1 . 20 . 2940 . 1 1 5 . C C 38.558 27.298 12.351 . . . 1.0 . . . . . . . . . . . . A . 5 DLY C . . . . . . . . . c30361_6bes 1 . 20 . 2941 . 1 1 5 . CA C 38.971 27.779 10.963 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CA . . . . . . . . . c30361_6bes 1 . 20 . 2942 . 1 1 5 . CB C 38.912 26.772 9.825 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CB . . . . . . . . . c30361_6bes 1 . 20 . 2943 . 1 1 5 . CD C 39.138 25.987 7.489 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CD . . . . . . . . . c30361_6bes 1 . 20 . 2944 . 1 1 5 . CE C 40.065 26.018 6.281 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CE . . . . . . . . . c30361_6bes 1 . 20 . 2945 . 1 1 5 . CG C 39.581 27.060 8.487 . . . 1.0 . . . . . . . . . . . . A . 5 DLY CG . . . . . . . . . c30361_6bes 1 . 20 . 2946 . 1 1 5 . H H 37.565 28.845 9.813 . . . 1.0 . . . . . . . . . . . . A . 5 DLY H . . . . . . . . . c30361_6bes 1 . 20 . 2947 . 1 1 5 . HA H 40.020 28.041 11.027 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HA . . . . . . . . . c30361_6bes 1 . 20 . 2948 . 1 1 5 . HB2 H 37.882 26.435 9.669 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB2 . . . . . . . . . c30361_6bes 1 . 20 . 2949 . 1 1 5 . HB3 H 39.485 25.897 10.130 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HB3 . . . . . . . . . c30361_6bes 1 . 20 . 2950 . 1 1 5 . HD2 H 38.168 26.252 7.075 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD2 . . . . . . . . . c30361_6bes 1 . 20 . 2951 . 1 1 5 . HD3 H 39.107 25.008 7.980 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HD3 . . . . . . . . . c30361_6bes 1 . 20 . 2952 . 1 1 5 . HE2 H 39.873 25.139 5.660 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE2 . . . . . . . . . c30361_6bes 1 . 20 . 2953 . 1 1 5 . HE3 H 41.131 26.049 6.526 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HE3 . . . . . . . . . c30361_6bes 1 . 20 . 2954 . 1 1 5 . HG2 H 40.638 26.955 8.733 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG2 . . . . . . . . . c30361_6bes 1 . 20 . 2955 . 1 1 5 . HG3 H 39.280 28.060 8.178 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HG3 . . . . . . . . . c30361_6bes 1 . 20 . 2956 . 1 1 5 . HZ1 H 39.916 27.963 6.007 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ1 . . . . . . . . . c30361_6bes 1 . 20 . 2957 . 1 1 5 . HZ2 H 38.865 27.063 5.079 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ2 . . . . . . . . . c30361_6bes 1 . 20 . 2958 . 1 1 5 . HZ3 H 40.457 27.240 4.611 . . . 1.0 . . . . . . . . . . . . A . 5 DLY HZ3 . . . . . . . . . c30361_6bes 1 . 20 . 2959 . 1 1 5 . N N 38.227 28.959 10.563 . . . 1.0 . . . . . . . . . . . . A . 5 DLY N . . . . . . . . . c30361_6bes 1 . 20 . 2960 . 1 1 5 . NZ N 39.822 27.165 5.400 . . . 1.0 . . . . . . . . . . . . A . 5 DLY NZ . . . . . . . . . c30361_6bes 1 . 20 . 2961 . 1 1 5 . O O 37.805 26.341 12.541 . . . 1.0 . . . . . . . . . . . . A . 5 DLY O . . . . . . . . . c30361_6bes 1 . 20 . 2962 . 1 1 6 ASP C C 39.173 28.850 15.575 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . c30361_6bes 1 . 20 . 2963 . 1 1 6 ASP CA C 39.200 27.578 14.739 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . c30361_6bes 1 . 20 . 2964 . 1 1 6 ASP CB C 40.360 26.666 15.134 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . c30361_6bes 1 . 20 . 2965 . 1 1 6 ASP CG C 41.767 27.074 14.726 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . c30361_6bes 1 . 20 . 2966 . 1 1 6 ASP H H 39.939 28.581 13.075 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . c30361_6bes 1 . 20 . 2967 . 1 1 6 ASP HA H 38.251 27.098 14.972 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . c30361_6bes 1 . 20 . 2968 . 1 1 6 ASP HB2 H 40.448 26.560 16.213 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . c30361_6bes 1 . 20 . 2969 . 1 1 6 ASP HB3 H 40.165 25.721 14.634 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . c30361_6bes 1 . 20 . 2970 . 1 1 6 ASP N N 39.272 27.874 13.325 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . c30361_6bes 1 . 20 . 2971 . 1 1 6 ASP O O 38.986 28.728 16.790 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . c30361_6bes 1 . 20 . 2972 . 1 1 6 ASP OD1 O 41.911 28.061 13.978 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . c30361_6bes 1 . 20 . 2973 . 1 1 6 ASP OD2 O 42.671 26.382 15.232 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . c30361_6bes 1 . 20 . 2974 . 1 1 7 SER C C 38.992 32.418 15.142 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c30361_6bes 1 . 20 . 2975 . 1 1 7 SER CA C 39.853 31.264 15.630 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c30361_6bes 1 . 20 . 2976 . 1 1 7 SER CB C 41.359 31.487 15.643 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c30361_6bes 1 . 20 . 2977 . 1 1 7 SER H H 39.482 30.070 13.994 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c30361_6bes 1 . 20 . 2978 . 1 1 7 SER HA H 39.763 31.199 16.715 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c30361_6bes 1 . 20 . 2979 . 1 1 7 SER HB2 H 41.567 31.689 14.590 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c30361_6bes 1 . 20 . 2980 . 1 1 7 SER HB3 H 41.549 32.391 16.231 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c30361_6bes 1 . 20 . 2981 . 1 1 7 SER HG H 42.392 29.842 15.465 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c30361_6bes 1 . 20 . 2982 . 1 1 7 SER N N 39.503 30.007 14.994 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c30361_6bes 1 . 20 . 2983 . 1 1 7 SER O O 38.829 32.580 13.933 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c30361_6bes 1 . 20 . 2984 . 1 1 7 SER OG O 42.100 30.416 16.175 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c30361_6bes 1 . 20 . 2985 . 1 1 8 . C C 35.986 33.498 16.215 . . . 1.0 . . . . . . . . . . . . A . 8 DTY C . . . . . . . . . c30361_6bes 1 . 20 . 2986 . 1 1 8 . CA C 37.337 34.082 15.857 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CA . . . . . . . . . c30361_6bes 1 . 20 . 2987 . 1 1 8 . CB C 37.559 35.420 16.547 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CB . . . . . . . . . c30361_6bes 1 . 20 . 2988 . 1 1 8 . CD1 C 39.437 36.357 15.064 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD1 . . . . . . . . . c30361_6bes 1 . 20 . 2989 . 1 1 8 . CD2 C 39.630 36.421 17.480 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CD2 . . . . . . . . . c30361_6bes 1 . 20 . 2990 . 1 1 8 . CE1 C 40.763 36.735 14.878 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE1 . . . . . . . . . c30361_6bes 1 . 20 . 2991 . 1 1 8 . CE2 C 40.926 36.918 17.315 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CE2 . . . . . . . . . c30361_6bes 1 . 20 . 2992 . 1 1 8 . CG C 38.878 36.140 16.330 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CG . . . . . . . . . c30361_6bes 1 . 20 . 2993 . 1 1 8 . CZ C 41.507 37.039 16.036 . . . 1.0 . . . . . . . . . . . . A . 8 DTY CZ . . . . . . . . . c30361_6bes 1 . 20 . 2994 . 1 1 8 . H H 38.497 32.819 17.024 . . . 1.0 . . . . . . . . . . . . A . 8 DTY H . . . . . . . . . c30361_6bes 1 . 20 . 2995 . 1 1 8 . HA H 37.278 34.221 14.771 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HA . . . . . . . . . c30361_6bes 1 . 20 . 2996 . 1 1 8 . HB2 H 37.398 35.314 17.622 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB2 . . . . . . . . . c30361_6bes 1 . 20 . 2997 . 1 1 8 . HB3 H 36.801 36.105 16.173 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HB3 . . . . . . . . . c30361_6bes 1 . 20 . 2998 . 1 1 8 . HD1 H 38.886 36.093 14.168 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD1 . . . . . . . . . c30361_6bes 1 . 20 . 2999 . 1 1 8 . HD2 H 39.177 36.355 18.452 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HD2 . . . . . . . . . c30361_6bes 1 . 20 . 3000 . 1 1 8 . HE1 H 41.207 36.991 13.932 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE1 . . . . . . . . . c30361_6bes 1 . 20 . 3001 . 1 1 8 . HE2 H 41.508 37.188 18.191 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HE2 . . . . . . . . . c30361_6bes 1 . 20 . 3002 . 1 1 8 . HH H 43.266 37.646 16.617 . . . 1.0 . . . . . . . . . . . . A . 8 DTY HH . . . . . . . . . c30361_6bes 1 . 20 . 3003 . 1 1 8 . N N 38.441 33.180 16.090 . . . 1.0 . . . . . . . . . . . . A . 8 DTY N . . . . . . . . . c30361_6bes 1 . 20 . 3004 . 1 1 8 . O O 35.823 33.024 17.335 . . . 1.0 . . . . . . . . . . . . A . 8 DTY O . . . . . . . . . c30361_6bes 1 . 20 . 3005 . 1 1 8 . OH O 42.768 37.512 15.810 . . . 1.0 . . . . . . . . . . . . A . 8 DTY OH . . . . . . . . . c30361_6bes 1 . 20 . 3006 . 1 1 9 . C C 32.496 33.234 15.358 . . . 1.0 . . . . . . . . . . . . A . 9 DCY C . . . . . . . . . c30361_6bes 1 . 20 . 3007 . 1 1 9 . CA C 33.868 32.559 15.314 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CA . . . . . . . . . c30361_6bes 1 . 20 . 3008 . 1 1 9 . CB C 34.040 31.712 14.055 . . . 1.0 . . . . . . . . . . . . A . 9 DCY CB . . . . . . . . . c30361_6bes 1 . 20 . 3009 . 1 1 9 . H H 35.154 33.922 14.426 . . . 1.0 . . . . . . . . . . . . A . 9 DCY H . . . . . . . . . c30361_6bes 1 . 20 . 3010 . 1 1 9 . HA H 33.904 31.883 16.171 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HA . . . . . . . . . c30361_6bes 1 . 20 . 3011 . 1 1 9 . HB2 H 33.806 32.204 13.120 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB2 . . . . . . . . . c30361_6bes 1 . 20 . 3012 . 1 1 9 . HB3 H 33.228 30.992 14.005 . . . 1.0 . . . . . . . . . . . . A . 9 DCY HB3 . . . . . . . . . c30361_6bes 1 . 20 . 3013 . 1 1 9 . N N 35.003 33.452 15.301 . . . 1.0 . . . . . . . . . . . . A . 9 DCY N . . . . . . . . . c30361_6bes 1 . 20 . 3014 . 1 1 9 . O O 31.883 33.446 14.317 . . . 1.0 . . . . . . . . . . . . A . 9 DCY O . . . . . . . . . c30361_6bes 1 . 20 . 3015 . 1 1 9 . SG S 35.633 30.838 14.051 . . . 1.0 . . . . . . . . . . . . A . 9 DCY SG . . . . . . . . . c30361_6bes 1 . 20 . 3016 . 1 1 10 PRO C C 31.371 36.175 15.649 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c30361_6bes 1 . 20 . 3017 . 1 1 10 PRO CA C 31.191 34.962 16.547 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c30361_6bes 1 . 20 . 3018 . 1 1 10 PRO CB C 31.195 35.400 18.010 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c30361_6bes 1 . 20 . 3019 . 1 1 10 PRO CD C 32.817 33.700 17.753 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c30361_6bes 1 . 20 . 3020 . 1 1 10 PRO CG C 31.745 34.174 18.731 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c30361_6bes 1 . 20 . 3021 . 1 1 10 PRO HA H 30.181 34.615 16.294 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c30361_6bes 1 . 20 . 3022 . 1 1 10 PRO HB2 H 31.801 36.278 18.216 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c30361_6bes 1 . 20 . 3023 . 1 1 10 PRO HB3 H 30.192 35.550 18.412 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c30361_6bes 1 . 20 . 3024 . 1 1 10 PRO HD2 H 33.705 34.325 17.815 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c30361_6bes 1 . 20 . 3025 . 1 1 10 PRO HD3 H 33.008 32.646 17.973 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c30361_6bes 1 . 20 . 3026 . 1 1 10 PRO HG2 H 32.172 34.427 19.700 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c30361_6bes 1 . 20 . 3027 . 1 1 10 PRO HG3 H 30.960 33.412 18.802 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c30361_6bes 1 . 20 . 3028 . 1 1 10 PRO N N 32.165 33.897 16.468 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c30361_6bes 1 . 20 . 3029 . 1 1 10 PRO O O 32.438 36.657 15.273 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c30361_6bes 1 . 20 . 3030 . 1 1 11 . C C 30.245 37.989 13.204 . . . 1.0 . . . . . . . . . . . . A . 11 DSN C . . . . . . . . . c30361_6bes 1 . 20 . 3031 . 1 1 11 . CA C 30.020 38.055 14.705 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CA . . . . . . . . . c30361_6bes 1 . 20 . 3032 . 1 1 11 . CB C 28.670 38.707 15.009 . . . 1.0 . . . . . . . . . . . . A . 11 DSN CB . . . . . . . . . c30361_6bes 1 . 20 . 3033 . 1 1 11 . H H 29.393 36.458 15.879 . . . 1.0 . . . . . . . . . . . . A . 11 DSN H . . . . . . . . . c30361_6bes 1 . 20 . 3034 . 1 1 11 . HA H 30.728 38.767 15.101 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HA . . . . . . . . . c30361_6bes 1 . 20 . 3035 . 1 1 11 . HB2 H 27.952 38.000 14.587 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB2 . . . . . . . . . c30361_6bes 1 . 20 . 3036 . 1 1 11 . HB3 H 28.715 39.650 14.466 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HB3 . . . . . . . . . c30361_6bes 1 . 20 . 3037 . 1 1 11 . HG H 27.541 39.194 16.465 . . . 1.0 . . . . . . . . . . . . A . 11 DSN HG . . . . . . . . . c30361_6bes 1 . 20 . 3038 . 1 1 11 . N N 30.220 36.809 15.429 . . . 1.0 . . . . . . . . . . . . A . 11 DSN N . . . . . . . . . c30361_6bes 1 . 20 . 3039 . 1 1 11 . O O 29.644 38.704 12.412 . . . 1.0 . . . . . . . . . . . . A . 11 DSN O . . . . . . . . . c30361_6bes 1 . 20 . 3040 . 1 1 11 . OG O 28.457 38.924 16.379 . . . 1.0 . . . . . . . . . . . . A . 11 DSN OG . . . . . . . . . c30361_6bes 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 c30361_6bes _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 6bes.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30361_6bes 1 1 6bes.mr . . XPLOR/CNS 2 distance NOE simple 86 c30361_6bes 1 1 6bes.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30361_6bes 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c30361_6bes _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c30361_6bes 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 2 2 GLN HA H . . . 1 1 2 2 GLN H H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN HA . . A . 2 GLN H . . . 2 . HA . . . . . 2 . HN . . c30361_6bes 1 2 1 . . 1 1 6 6 ASP H H . . . 1 1 6 6 ASP HA H . . . . . 4.5 2.9 6.1 . . . . . A . 6 ASP H . . A . 6 ASP HA . . . 6 . HN . . . . . 6 . HA . . c30361_6bes 1 3 1 . . 1 1 7 7 SER H H . . . 1 1 7 7 SER HA H . . . . . 3.5 2.3 4.7 . . . . . A . 7 SER H . . A . 7 SER HA . . . 7 . HN . . . . . 7 . HA . . c30361_6bes 1 4 1 . . 1 1 2 2 GLN HE22 H . . . 1 1 2 2 GLN HE21 H . . . . . 2.5 1.8 3.2 . . . . . A . 2 GLN HE22 . . A . 2 GLN HE21 . . . 2 . HE22 . . . . . 2 . HE21 . . c30361_6bes 1 5 1 . . 1 1 2 2 GLN H H . . . 1 1 2 2 GLN HB2 H . . . . . 3.5 2.3 4.7 . . . . . A . 2 GLN H . . A . 2 GLN HB2 . . . 2 . HN . . . . . 2 . HB1 . . c30361_6bes 1 6 1 . . 1 1 2 2 GLN H H . . . 1 1 2 2 GLN HG2 H . . . . . 3.5 2.3 4.7 . . . . . A . 2 GLN H . . A . 2 GLN HG2 . . . 2 . HN . . . . . 2 . HG1 . . c30361_6bes 1 7 1 . . 1 1 2 2 GLN H H . . . 1 1 2 2 GLN HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN H . . A . 2 GLN HB3 . . . 2 . HN . . . . . 2 . HB2 . . c30361_6bes 1 8 1 . . 1 1 2 2 GLN H H . . . 1 1 2 2 GLN HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN H . . A . 2 GLN HG3 . . . 2 . HN . . . . . 2 . HG2 . . c30361_6bes 1 9 1 . . 1 1 2 2 GLN HE22 H . . . 1 1 2 2 GLN HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN HE22 . . A . 2 GLN HG2 . . . 2 . HE22 . . . . . 2 . HG1 . . c30361_6bes 1 10 1 . . 1 1 3 3 DPR HA H . . . 1 1 3 3 DPR HB3 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 DPR HA . . A . 3 DPR HB3 . . . 3 . HA . . . . . 3 . HB2 . . c30361_6bes 1 11 1 . . 1 1 6 6 ASP H H . . . 1 1 6 6 ASP HB2 H . . . . . 3.5 2.3 4.7 . . . . . A . 6 ASP H . . A . 6 ASP HB2 . . . 6 . HN . . . . . 6 . HB1 . . c30361_6bes 1 12 1 . . 1 1 6 6 ASP H H . . . 1 1 6 6 ASP HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 6 ASP H . . A . 6 ASP HB3 . . . 6 . HN . . . . . 6 . HB2 . . c30361_6bes 1 13 1 . . 1 1 7 7 SER H H . . . 1 1 7 7 SER HB2 H . . . . . 3.5 2.3 4.7 . . . . . A . 7 SER H . . A . 7 SER HB2 . . . 7 . HN . . . . . 7 . HB# . . c30361_6bes 1 14 1 . . 1 1 10 10 PRO HA H . . . 1 1 10 10 PRO HB3 H . . . . . 3.5 2.3 4.7 . . . . . A . 10 PRO HA . . A . 10 PRO HB3 . . . 10 . HA . . . . . 10 . HB2 . . c30361_6bes 1 15 1 . . 1 1 10 10 PRO HG2 H . . . 1 1 10 10 PRO HD3 H . . . . . 3.5 2.3 4.7 . . . . . A . 10 PRO HG2 . . A . 10 PRO HD3 . . . 10 . HG1 . . . . . 10 . HD2 . . c30361_6bes 1 16 1 . . 1 1 10 10 PRO HD3 H . . . 1 1 10 10 PRO HG3 H . . . . . 3.5 2.3 4.7 . . . . . A . 10 PRO HD3 . . A . 10 PRO HG3 . . . 10 . HD2 . . . . . 10 . HG2 . . c30361_6bes 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 '# Restraints file 1: 11cpp_noe.tbl' 1 1 1 34 c30361_6bes 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 ; -------------------------------------------------------------------------! NOE Table for 11CPP peptide ! Updated 022317 mds 11cpp, 11mer ala GLN pro cys lys ASP SER tyr cys PRO ser Upper case L-Amino Acid Lower case D-Amino Acid ! NOE binning !! strong 2.5 0.7 0.7 medium 3.5 1.2 1.2 weak 4.5 1.6 1.6 very weak 5.0 2.0 2.0 TOTAL NOES = 85 long range (j-i >6) = 7 short range (2 > j-i < 5) = 15 sequential (i to j) = 25 intraresidue (i to i) = 38 ------------------------------------------------------------------------! ! BACKBONE NOEs !! HA-HN ; 2 1 27 8 c30361_6bes 1 2 HN-HN 48 1 48 8 c30361_6bes 1 3 HA-HA 56 1 56 8 c30361_6bes 1 4 '! Side Chain !!' 61 1 61 17 c30361_6bes 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 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30361_6bes 1 2 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30361_6bes 1 3 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .9.HN' (nmrStar names) not linked" c30361_6bes 1 4 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HA' (nmrStar names) not linked" c30361_6bes 1 5 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HN' (nmrStar names) not linked" c30361_6bes 1 6 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" c30361_6bes 1 7 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .5.HA' (nmrStar names) not linked" c30361_6bes 1 8 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.HA' (nmrStar names) not linked" c30361_6bes 1 9 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .5.HA' (nmrStar names) not linked" c30361_6bes 1 10 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c30361_6bes 1 11 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .4.HN' (nmrStar names),' .8.HA' (nmrStar names) not linked" c30361_6bes 1 12 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .9.HN' (nmrStar names),' .8.HA' (nmrStar names) not linked" c30361_6bes 1 13 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .9.HN' (nmrStar names),' .9.HA' (nmrStar names) not linked" c30361_6bes 1 14 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" c30361_6bes 1 15 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30361_6bes 1 16 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HA' (nmrStar names) not linked" c30361_6bes 1 17 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .1.HN' (nmrStar names),' .11.HN' (nmrStar names) not linked" c30361_6bes 1 18 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .4.HN' (nmrStar names),' .5.HN' (nmrStar names) not linked" c30361_6bes 1 19 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .4.HN' (nmrStar names),' .9.HN' (nmrStar names) not linked" c30361_6bes 1 20 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30361_6bes 1 21 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c30361_6bes 1 22 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .9.HN' (nmrStar names) not linked" c30361_6bes 1 23 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HA' (nmrStar names) not linked" c30361_6bes 1 24 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c30361_6bes 1 25 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .1.HN' (nmrStar names),' .1.HB#' (nmrStar names) not linked" c30361_6bes 1 26 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .1.HB#' (nmrStar names) not linked" c30361_6bes 1 27 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .1.HB#' (nmrStar names),' .9.HB2' (nmrStar names) not linked" c30361_6bes 1 28 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .1.HB#' (nmrStar names),' .9.HB1' (nmrStar names) not linked" c30361_6bes 1 29 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .11.HA' (nmrStar names) not linked" c30361_6bes 1 30 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .11.HA' (nmrStar names) not linked" c30361_6bes 1 31 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .8.HD1' (nmrStar names) not linked" c30361_6bes 1 32 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .8.HE1' (nmrStar names) not linked" c30361_6bes 1 33 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30361_6bes 1 34 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30361_6bes 1 35 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .3.HD#' (nmrStar names) not linked" c30361_6bes 1 36 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .3.HD#' (nmrStar names) not linked" c30361_6bes 1 37 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .8.HE1' (nmrStar names),' .3.HD#' (nmrStar names) not linked" c30361_6bes 1 38 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .5.HN' (nmrStar names),' .4.HB2' (nmrStar names) not linked" c30361_6bes 1 39 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .5.HN' (nmrStar names),' .4.HB1' (nmrStar names) not linked" c30361_6bes 1 40 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB2' (nmrStar names) not linked" c30361_6bes 1 41 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB1' (nmrStar names) not linked" c30361_6bes 1 42 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.HB#' (nmrStar names) not linked" c30361_6bes 1 43 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.HA' (nmrStar names) not linked" c30361_6bes 1 44 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .5.HB#' (nmrStar names) not linked" c30361_6bes 1 45 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .5.HG#' (nmrStar names) not linked" c30361_6bes 1 46 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .8.HD1' (nmrStar names) not linked" c30361_6bes 1 47 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .8.HD1' (nmrStar names) not linked" c30361_6bes 1 48 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .8.HE1' (nmrStar names) not linked" c30361_6bes 1 49 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c30361_6bes 1 50 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HB2' (nmrStar names) not linked" c30361_6bes 1 51 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .9.HN' (nmrStar names),' .8.HB2' (nmrStar names) not linked" c30361_6bes 1 52 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HB1' (nmrStar names) not linked" c30361_6bes 1 53 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HB1' (nmrStar names) not linked" c30361_6bes 1 54 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .8.HA' (nmrStar names),' .8.HD1' (nmrStar names) not linked" c30361_6bes 1 55 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .8.HE1' (nmrStar names),' .8.HB2' (nmrStar names) not linked" c30361_6bes 1 56 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HB2' (nmrStar names) not linked" c30361_6bes 1 57 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .8.HB2' (nmrStar names) not linked" c30361_6bes 1 58 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .8.HE1' (nmrStar names),' .8.HB1' (nmrStar names) not linked" c30361_6bes 1 59 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .9.HN' (nmrStar names),' .8.HB1' (nmrStar names) not linked" c30361_6bes 1 60 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .8.HB1' (nmrStar names) not linked" c30361_6bes 1 61 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HD1' (nmrStar names) not linked" c30361_6bes 1 62 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .9.HN' (nmrStar names),' .9.HB1' (nmrStar names) not linked" c30361_6bes 1 63 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .9.HB2' (nmrStar names),' .4.HB2' (nmrStar names) not linked" c30361_6bes 1 64 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .9.HB2' (nmrStar names),' .4.HB1' (nmrStar names) not linked" c30361_6bes 1 65 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .9.HN' (nmrStar names),' .9.HB2' (nmrStar names) not linked" c30361_6bes 1 66 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .9.HB1' (nmrStar names),' .4.HB2' (nmrStar names) not linked" c30361_6bes 1 67 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" c30361_6bes 1 68 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .9.HA' (nmrStar names) not linked" c30361_6bes 1 69 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HB2' (nmrStar names) not linked" c30361_6bes 1 70 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HB1' (nmrStar names) not linked" c30361_6bes 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c30361_6bes _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER DE NOVO PROTEIN 25-OCT-17 6BES *TITLE SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN11_SS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS MACROCYCLE, DE NOVO, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER *REVDAT 1 27-DEC-17 6BES 0' save_